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Large ribosomal subunit protein uL3m

AlphaFold DB , UniProt , Accession Q99N95, Species MOUSE (Mus musculus, Mouse), Gene Mrpl3, Length 348 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
1M38.7Very low39Very low242 Ų242155.3 Ų155.3100%1.19286%0.863SS**  0114.20-73-77.3178.100106.7
2P44.9Very low39.1Very low129 Ų129151.5 Ų151.584%0.83887%0.867SS**  trans-112.9159.4-138.437.2-26.3000114.7
3G35.6Very low38.8Very low62 Ų62158.2 Ų158.264%0.63987%0.869SS**  trans126.3134.9133.500000118.1
4W41.5Very low38.6Very low246 Ų246154.8 Ų154.893%0.93286%0.855SS**  trans92.4140.1155.6-60.38.2000117.2
5R41.4Very low38.6Very low232 Ų232156.1 Ų156.188%0.87586%0.859SS**  cis-173.4148.5-27.6-120.7-179.5-177.8-164.82104.3
6L37.5Very low38.4Very low165 Ų165150.2 Ų150.286%0.86485%0.845SS**  trans-66.8166.4177-86.6117.6000114.9
7L40Very low38.2Very low171 Ų171150 Ų15090%0.89585%0.854SS**  trans123.9140.1152.1-70.4160000112
8A38.3Very low38.3Very low78 Ų78146.2 Ų146.265%0.64585%0.853SS**  cis-175.4174.1-4.700000109
9Q42.7Very low38.3Very low200 Ų200144.2 Ų144.294%0.93586%0.855SS**  trans99.5126.2149.9-70.4-177.4-7.500120.6
10A36.4Very low38Very low103 Ų103149.7 Ų149.785%0.85186%0.86SS**  trans-117.5150.5173.400000109.8
11G31.7Very low38Very low80 Ų80146.3 Ų146.383%0.82586%0.858SS**  trans95.7117.614500000118.9
12A40.7Very low37.8Very low110 Ų110143.7 Ų143.791%0.90985%0.848SS**  trans-156.5135.2144.400000110.7
13R34.7Very low37.4Very low239 Ų239141.5 Ų141.590%0.90285%0.848SS**  trans-130.3146.9-176.5-126.2-169.8-174.8178.82106.8
14V36.3Very low37.4Very low110 Ų110143.5 Ų143.567%0.66786%0.859SS**  trans96.5137.6138174.80000121
15L38.4Very low37Very low174 Ų174139.3 Ų139.391%0.91186%0.855SS**  trans76.3143162.2-70.7151.7000118.5
16G36.2Very low37.1Very low62 Ų62134.4 Ų134.464%0.63985%0.853SS**  cis150.5134.34.200000110.8
17C34.2Very low37Very low147 Ų147130 Ų13099%0.99385%0.848SS**  trans48.7136.5156.8-66.70000123.7
18G40.5Very low36.7Very low82 Ų82130 Ų13085%0.84585%0.847SS**  trans177.5130158.200000113.9
19A37.9Very low36.6Very low107 Ų107135.7 Ų135.788%0.88486%0.861SS**  trans-96.7176.7-163.100000115.8
20R33Very low36.1Very low255 Ų255137.8 Ų137.896%0.96286%0.86SS**  trans-50.4154.4-178.9-59.6172.8-173.3-172.10.6116.3
21G36.4Very low36.1Very low78 Ų78144.6 Ų144.680%0.80486%0.864SS**  trans170.7127.515600000114.6
22L35.9Very low36.2Very low188 Ų188150.3 Ų150.398%0.98487%0.866SS**  trans-74.8159.1-175.2-65.8141.2000113.7
23G35.7Very low35.9Very low82 Ų82152.3 Ų152.385%0.84586%0.861SS**  trans162.1132.8158.700000114.6
24A36.4Very low35.8Very low105 Ų105147.3 Ų147.387%0.86885%0.851SS**  trans-84.2158.5-162.700000116.7
25D33.1Very low35.5Very low158 Ų158149.3 Ų149.385%0.84586%0.857SS**  trans-47.2176.4157.2-99.8-32.1000114.2
26P42.3Very low35.1Very low128 Ų128149.5 Ų149.583%0.83185%0.851SS**  cis-142.1174.217.931.5-7.6000116.1
27G36.7Very low34.8Very low74 Ų74154.6 Ų154.676%0.76386%0.856SS**  trans-179.179.6169.600000117.3
28L32.6Very low34.9Very low169 Ų169152.9 Ų152.989%0.88584%0.841SS**  trans10.6108.7147.5-160.284.2000119.1
29E36.5Very low34.5Very low199 Ų199158.4 Ų158.493%0.9384%0.836SS**  trans-152.2129.4138.7-90.8-144.6147.600111.6
30R33.4Very low34.3Very low243 Ų243159.1 Ų159.192%0.91783%0.825SS**  trans-122.296.8-173.8-162.8-170.6-151.9-1598.7107.4
31R36.1Very low34.5Very low246 Ų246153.7 Ų153.793%0.92881%0.814SS**  trans-138.3127.5161.8-81.2-166.1175-172.2-0112
32K32.6Very low35.2Very low201 Ų201156.4 Ų156.487%0.87481%0.806SS**  trans-59.9133.6-176.1-59.4165.8177176.90110.3
33N34.7Very low36.1Very low151 Ų151152 Ų15281%0.80779%0.791SS**  trans-150.7110.3152.4-92-26.9000109.7
34I34Very low38.2Very low135 Ų135157.2 Ų157.269%0.69279%0.79SS**  trans33.697.6144.1-57.1166.5000114.8F36I34-F36 HydrophobicContact CG2-CD2 3.96Å; I34-F36 HydrophobicContact CG2-CE2 4.06Å; I34-F36 PolarHBondContact O-N 3Å
35L29.8Very low40.6Very low151 Ų151156.4 Ų156.479%0.79178%0.778SS**  trans-62.7100.1161.3-94.9107.2000109.1F37L35-F37 HydrophobicContact CD2-CD2 4.14Å; L35-F37 HydrophobicContact CD2-CE2 4.09Å; L35-F37 PolarHBondContact O-N 3.21Å
36F29.6Very low43.3Very low178 Ų178153.5 Ų153.578%0.78177%0.77SS**  trans-69.9101.9151.8-92.2-91.4000107.7I34 V38I34-F36 HydrophobicContact CG2-CD2 3.96Å; I34-F36 HydrophobicContact CG2-CE2 4.06Å; I34-F36 PolarHBondContact O-N 3Å; F36-V38 PolarHBondContact O-N 2.86Å
37F30.1Very low45.7Very low170 Ų170152.1 Ų152.175%0.74676%0.759SS**  trans-69.283.2164.9-117.7-86.8000108.1L35 R39L35-F37 HydrophobicContact CD2-CD2 4.14Å; L35-F37 HydrophobicContact CD2-CE2 4.09Å; L35-F37 PolarHBondContact O-N 3.21Å; F37-R39 HydrophobicContact CD1-CG 4.37Å; F37-R39 PolarHBondContact O-N 2.98Å
38V34.8Very low48.3Very low111 Ų111155.9 Ų155.967%0.67375%0.751SS**  trans-70.291.8158.9179.10000105.5F36 N40F36-V38 PolarHBondContact O-N 2.86Å; V38-N40 VanDerWaalsContact C-N 3.26Å; V38-N40 PolarHBondContact O-N 2.89Å
39R32.2Very low51.2Low197 Ų197150.5 Ų150.574%0.74372%0.719SS**  trans-61.597.2164.4-93.7-178.1168.2168.6-3.5107F37 L41F37-R39 HydrophobicContact CD1-CG 4.37Å; F37-R39 PolarHBondContact O-N 2.98Å; R39-L41 HydrophobicContact CB-CD1 4.31Å; R39-L41 PolarHBondContact O-N 2.8Å
40N34.8Very low53.9Low123 Ų123143.7 Ų143.766%0.65869%0.689SS**  trans-60.678.9153.8-91.1-26.1000108V38 H42V38-N40 VanDerWaalsContact C-N 3.26Å; V38-N40 PolarHBondContact O-N 2.89Å; N40-H42 WeakPolarHBondContact CB-ND1 3.42Å; N40-H42 PolarHBondContact O-N 3.24Å; N40-H42 PolarHBondContact OD1-CE1 3.17Å; N40-H42 PolarHBondContact OD1-ND1 3.3Å
41L37.2Very low56.8Low140 Ų140135.3 Ų135.373%0.73366%0.66SS**  trans-7366.6166.2-105.2144.9000108R39 S43R39-L41 HydrophobicContact CB-CD1 4.31Å; R39-L41 PolarHBondContact O-N 2.8Å; L41-S43 PolarHBondContact O-N 2.91Å; L41-S43 VanDerWaalsContact O-N 3.12Å
42H50.9Low59.6Low135 Ų135130.6 Ų130.663%0.62565%0.648SS**  trans-82.941.7171.2-7777.9000110.8N40 K44N40-H42 WeakPolarHBondContact CB-ND1 3.42Å; N40-H42 PolarHBondContact O-N 3.24Å; N40-H42 PolarHBondContact OD1-CE1 3.17Å; N40-H42 PolarHBondContact OD1-ND1 3.3Å; H42-K44 VanDerWaalsContact C-N 3.31Å; H42-K44 PolarHBondContact O-N 3.33Å
43S55.8Low62.5Low96 Ų96123.7 Ų123.767%0.67162%0.62SS**  trans-89.176.1163.7168.20000107.1L41 S45L41-S43 PolarHBondContact O-N 2.91Å; L41-S43 VanDerWaalsContact O-N 3.12Å; S43-S45 VanDerWaalsContact C-N 3.3Å; S43-S45 PolarHBondContact O-N 3.38Å
44K78Confident65.4Low191 Ų191119.1 Ų119.183%0.8360%0.6SS**  trans-6891.7174.6-66.9-176.1-179.5-178.20108.3H42H42-K44 VanDerWaalsContact C-N 3.31Å; H42-K44 PolarHBondContact O-N 3.33Å
45S86.7Confident68.2Low88 Ų88121.2 Ų121.262%0.61561%0.607SS**  trans-63.5140170.2-1700000109S43 T47S43-S45 VanDerWaalsContact C-N 3.3Å; S43-S45 PolarHBondContact O-N 3.38Å; S45-T47 PolarHBondContact O-N 2.8Å
46S90.9Very high71.3Confident98 Ų98121.5 Ų121.569%0.68560%0.604SS**  trans-67.1128.8168.354.70000108.7
47T91.5Very high74.4Confident98 Ų98116.9 Ų116.960%0.60159%0.588SS**  trans-111.5159.2175.758.80000111.4S45 E51S45-T47 PolarHBondContact O-N 2.8Å; T47-E51 WeakPolarHBondContact CA-OE2 3.46Å; T47-E51 WeakPolarHBondContact CB-OE2 3.42Å
48W92.6Very high77.5Confident153 Ų153111.1 Ų111.158%0.5857%0.565SS**  trans-127.1161.616955.680.6000110.7D50 E51W48-D50 VanDerWaalsContact C-N 3.27Å; W48-D50 PolarHBondContact O-N 3.24Å; W48-D50 VanDerWaalsContact O-N 3.15Å; W48-E51 HydrophobicContact CD2-CB 4.23Å; W48-E51 HydrophobicContact CD2-CG 4.5Å; W48-E51 HydrophobicContact CG-CB 4.24Å; W48-E51 HydrophobicContact CH2-CG 4.48Å; W48-E51 HydrophobicContact CZ2-CB 4.34Å; W48-E51 HydrophobicContact CZ2-CG 3.92Å; W48-E51 PolarHBondContact N-OE2 3.45Å; W48-E51 WeakPolarHBondContact O-CB 3.41Å; W48-E51 PolarHBondContact O-N 3.36Å
49W93.7Very high80.3Confident57 Ų57109.3 Ų109.322%0.21656%0.557CS.*THydrogen-bonded Turntrans-61.9-29.4-163.774.7-79.6000114.8L53 V61 K62 F155W49-L53 HydrophobicContact CE3-CD1 3.92Å; W49-L53 HydrophobicContact CZ3-CD1 3.7Å; W49-V61 HydrophobicContact CE3-CG1 4.39Å; W49-V61 HydrophobicContact CZ3-CG1 3.95Å; W49-K62 HydrophobicContact CH2-CG 4.05Å; W49-F155 HydrophobicContact CB-CB 3.99Å; W49-F155 HydrophobicContact CB-CD1 3.81Å; W49-F155 HydrophobicContact CB-CG 4.06Å; W49-F155 AromaticContact CD1-CG 3.96Å; W49-F155 HydrophobicContact CD2-CB 4.14Å; W49-F155 AromaticContact CD2-CD1 3.86Å; W49-F155 HydrophobicContact CD2-CD1 3.86Å; W49-F155 AromaticContact CD2-CD2 3.78Å; W49-F155 HydrophobicContact CD2-CD2 3.78Å; W49-F155 HydrophobicContact CD2-CE1 4.17Å; W49-F155 HydrophobicContact CD2-CE2 4.11Å; W49-F155 AromaticContact CD2-CG 3.66Å; W49-F155 HydrophobicContact CD2-CG 3.66Å; W49-F155 HydrophobicContact CD2-CZ 4.29Å; W49-F155 AromaticContact CE2-CD2 3.86Å; W49-F155 HydrophobicContact CE3-CD1 4.01Å; W49-F155 HydrophobicContact CE3-CD2 4.14Å; W49-F155 AromaticContact CE3-CE1 3.83Å; W49-F155 HydrophobicContact CE3-CE1 3.83Å; W49-F155 AromaticContact CE3-CE2 4Å; W49-F155 HydrophobicContact CE3-CE2 4Å; W49-F155 HydrophobicContact CE3-CG 4.17Å; W49-F155 AromaticContact CE3-CZ 3.83Å; W49-F155 HydrophobicContact CE3-CZ 3.83Å; W49-F155 HydrophobicContact CG-CB 3.57Å; W49-F155 AromaticContact CG-CD1 3.77Å; W49-F155 HydrophobicContact CG-CD1 3.77Å; W49-F155 HydrophobicContact CG-CD2 4.15Å; W49-F155 HydrophobicContact CG-CE1 4.49Å; W49-F155 AromaticContact CG-CG 3.57Å; W49-F155 HydrophobicContact CG-CG 3.57Å; W49-F155 HydrophobicContact CH2-CE2 4.28Å; W49-F155 HydrophobicContact CZ2-CD2 4.3Å; W49-F155 HydrophobicContact CZ2-CE2 4.39Å; W49-F155 HydrophobicContact CZ3-CE1 4.48Å; W49-F155 HydrophobicContact CZ3-CE2 4.08Å; W49-F155 HydrophobicContact CZ3-CZ 4.04Å
50D93.5Very high83.4Confident56 Ų56105.9 Ų105.930%0.29955%0.548SS..THydrogen-bonded Turntrans-101.87.4-17955-26.4000114.7W48 H52 L53 L58W48-D50 VanDerWaalsContact C-N 3.27Å; W48-D50 PolarHBondContact O-N 3.24Å; W48-D50 VanDerWaalsContact O-N 3.15Å; D50-H52 VanDerWaalsContact C-N 3.33Å; D50-H52 PolarHBondContact O-N 3.18Å; D50-L53 HydrophobicContact CB-CD1 4.32Å; D50-L58 HydrophobicContact CB-CD1 4.38Å
51E93.9Very high86.3Confident66 Ų66101.5 Ų101.531%0.30853%0.525SS..THydrogen-bonded Turntrans-63.5-34.4-176.7-169.2-179162.800114T47 W48T47-E51 WeakPolarHBondContact CA-OE2 3.46Å; T47-E51 WeakPolarHBondContact CB-OE2 3.42Å; W48-E51 HydrophobicContact CD2-CB 4.23Å; W48-E51 HydrophobicContact CD2-CG 4.5Å; W48-E51 HydrophobicContact CG-CB 4.24Å; W48-E51 HydrophobicContact CH2-CG 4.48Å; W48-E51 HydrophobicContact CZ2-CB 4.34Å; W48-E51 HydrophobicContact CZ2-CG 3.92Å; W48-E51 PolarHBondContact N-OE2 3.45Å; W48-E51 WeakPolarHBondContact O-CB 3.41Å; W48-E51 PolarHBondContact O-N 3.36Å
52H93.9Very high89.1Confident147 Ų147100 Ų10068%0.68151%0.513SS*.THydrogen-bonded Turntrans-114.413.3-173.2-54-42000113.2D50D50-H52 VanDerWaalsContact C-N 3.33Å; D50-H52 PolarHBondContact O-N 3.18Å
53L94.9Very high91.2Very high56 Ų5699.6 Ų99.629%0.29351%0.511SS..  trans-90.6137.3179.8-63.5179.4000110.7W49 D50 N57 L58 V61W49-L53 HydrophobicContact CE3-CD1 3.92Å; W49-L53 HydrophobicContact CZ3-CD1 3.7Å; D50-L53 HydrophobicContact CB-CD1 4.32Å; L53-N57 HydrophobicContact CB-CB 4.42Å; L53-N57 HydrophobicContact CD2-CB 4.24Å; L53-L58 HydrophobicContact CB-CB 4.46Å; L53-V61 HydrophobicContact CD1-CG2 4.37Å
54S94.7Very high93.2Very high55 Ų5599.6 Ų99.639%0.38550%0.503SS..  trans-68.5162.4164.463.60000110.8E56 N57 L58S54-E56 VanDerWaalsContact C-N 3.27Å; S54-E56 PolarHBondContact O-N 2.87Å; S54-N57 PolarHBondContact O-N 3.41Å; S54-N57 VanDerWaalsContact O-N 3.17Å; S54-N57 WeakPolarHBondContact OG-CB 3.41Å; S54-N57 PolarHBondContact OG-N 3.38Å; S54-N57 PolarHBondContact OG-ND2 2.88Å; S54-L58 WeakPolarHBondContact O-CB 3.25Å; S54-L58 PolarHBondContact O-N 3.12Å
55E93.4Very high94.1Very high180 Ų18091.4 Ų91.484%0.84147%0.469SS*.Hα-helixtrans-57.4-41.2177.8-63.8-174173.500112.2L58 S59E55-L58 PolarHBondContact O-N 3.2Å; E55-S59 PolarHBondContact O-N 3.34Å
56E94.1Very high94.5Very high156 Ų15689.8 Ų89.873%0.72946%0.458SS*.Hα-helixtrans-59.1-51174.8-63.8175.1-177.900111S54 L58 S59 F60S54-E56 VanDerWaalsContact C-N 3.27Å; S54-E56 PolarHBondContact O-N 2.87Å; E56-L58 VanDerWaalsContact C-N 3.34Å; E56-L58 PolarHBondContact O-N 2.86Å; E56-S59 PolarHBondContact O-N 3.17Å; E56-S59 PolarHBondContact O-OG 3.34Å; E56-F60 PolarHBondContact O-N 3.44Å
57N95.8Very high94.8Very high81 Ų8188.1 Ų88.143%0.43344%0.441SS..Hα-helixtrans-66.7-34-178.3-71.4-14.6000112.7L53 S54 S59 F60 V61L53-N57 HydrophobicContact CB-CB 4.42Å; L53-N57 HydrophobicContact CD2-CB 4.24Å; S54-N57 PolarHBondContact O-N 3.41Å; S54-N57 VanDerWaalsContact O-N 3.17Å; S54-N57 WeakPolarHBondContact OG-CB 3.41Å; S54-N57 PolarHBondContact OG-N 3.38Å; S54-N57 PolarHBondContact OG-ND2 2.88Å; N57-S59 VanDerWaalsContact C-N 3.34Å; N57-S59 PolarHBondContact O-N 3.36Å; N57-F60 PolarHBondContact O-N 3.28Å; N57-V61 WeakPolarHBondContact O-CB 3.15Å; N57-V61 VanDerWaalsContact O-CG2 3.25Å; N57-V61 WeakPolarHBondContact O-CG2 3.33Å; N57-V61 PolarHBondContact O-N 3.1Å
58L94.8Very high95Very high50 Ų5087.1 Ų87.126%0.26243%0.43SS..Hα-helixtrans-62-42.6178.6177.1154.9000111.5D50 L53 S54 E55 E56 K62D50-L58 HydrophobicContact CB-CD1 4.38Å; L53-L58 HydrophobicContact CB-CB 4.46Å; S54-L58 WeakPolarHBondContact O-CB 3.25Å; S54-L58 PolarHBondContact O-N 3.12Å; E55-L58 PolarHBondContact O-N 3.2Å; E56-L58 VanDerWaalsContact C-N 3.34Å; E56-L58 PolarHBondContact O-N 2.86Å; L58-K62 HydrophobicContact CD2-CD 3.99Å; L58-K62 VanDerWaalsContact CD2-NZ 3.35Å; L58-K62 WeakPolarHBondContact O-CG 3.38Å; L58-K62 PolarHBondContact O-N 2.88Å
59S94.1Very high95.2Very high72 Ų7281.2 Ų81.250%0.50341%0.409SS..Hα-helixtrans-65.9-45.5176.573.50000111.6E55 E56 N57 K62 Q63E55-S59 PolarHBondContact O-N 3.34Å; E56-S59 PolarHBondContact O-N 3.17Å; E56-S59 PolarHBondContact O-OG 3.34Å; N57-S59 VanDerWaalsContact C-N 3.34Å; N57-S59 PolarHBondContact O-N 3.36Å; S59-K62 PolarHBondContact O-N 3.45Å; S59-Q63 PolarHBondContact O-N 3.15Å; S59-Q63 VanDerWaalsContact O-N 3.1Å
60F96.5Very high95.3Very high125 Ų12584 Ų8455%0.54842%0.423SS..Hα-helixtrans-60.1-49.5178.9174.2-102.8000112.4E56 N57 K62 Q63 L64E56-F60 PolarHBondContact O-N 3.44Å; N57-F60 PolarHBondContact O-N 3.28Å; F60-K62 VanDerWaalsContact C-N 3.33Å; F60-K62 PolarHBondContact O-N 3.41Å; F60-Q63 PolarHBondContact O-N 3.46Å; F60-L64 HydrophobicContact CE1-CD2 4.27Å; F60-L64 WeakPolarHBondContact O-CB 3.32Å; F60-L64 PolarHBondContact O-N 3.49Å
61V96.3Very high95.4Very high31 Ų3186 Ų8619%0.18844%0.438CS..Hα-helixtrans-62.1-40.1-179.4169.80000111.4W49 L53 N57 L64 V65 F155W49-V61 HydrophobicContact CE3-CG1 4.39Å; W49-V61 HydrophobicContact CZ3-CG1 3.95Å; L53-V61 HydrophobicContact CD1-CG2 4.37Å; N57-V61 WeakPolarHBondContact O-CB 3.15Å; N57-V61 VanDerWaalsContact O-CG2 3.25Å; N57-V61 WeakPolarHBondContact O-CG2 3.33Å; N57-V61 PolarHBondContact O-N 3.1Å; V61-L64 PolarHBondContact O-N 3.24Å; V61-V65 WeakPolarHBondContact O-CG2 3.34Å; V61-V65 PolarHBondContact O-N 3.31Å; V61-F155 HydrophobicContact CG1-CE1 4.32Å; V61-F155 HydrophobicContact CG1-CZ 3.84Å
62K94.9Very high95.5Very high108 Ų10884.6 Ų84.647%0.4743%0.431SS..Hα-helixtrans-63-43.3176.4-75.4177.4-176.5176.80111.8W49 L58 S59 F60 S66W49-K62 HydrophobicContact CH2-CG 4.05Å; L58-K62 HydrophobicContact CD2-CD 3.99Å; L58-K62 VanDerWaalsContact CD2-NZ 3.35Å; L58-K62 WeakPolarHBondContact O-CG 3.38Å; L58-K62 PolarHBondContact O-N 2.88Å; S59-K62 PolarHBondContact O-N 3.45Å; F60-K62 VanDerWaalsContact C-N 3.33Å; F60-K62 PolarHBondContact O-N 3.41Å; K62-S66 WeakPolarHBondContact O-CB 3.4Å; K62-S66 PolarHBondContact O-N 3.02Å
63Q96.2Very high95.5Very high127 Ų12779.2 Ų79.259%0.59341%0.407SS*.Hα-helixtrans-66.5-47.1178.1-174.3171.6-5.800111.3S59 F60 V65 S66 D67S59-Q63 PolarHBondContact O-N 3.15Å; S59-Q63 VanDerWaalsContact O-N 3.1Å; F60-Q63 PolarHBondContact O-N 3.46Å; Q63-V65 PolarHBondContact O-N 3.09Å; Q63-S66 WeakPolarHBondContact O-CB 3.35Å; Q63-S66 PolarHBondContact O-N 3.36Å; Q63-S66 VanDerWaalsContact O-N 3.09Å; Q63-D67 PolarHBondContact O-N 2.93Å
64L97.2Very high95.4Very high96 Ų9680.8 Ų80.850%0.50342%0.419SS..Hα-helixtrans-54.2-49.6177.4-176.870.3000111.9F60 V61 S66 D67 E68F60-L64 HydrophobicContact CE1-CD2 4.27Å; F60-L64 WeakPolarHBondContact O-CB 3.32Å; F60-L64 PolarHBondContact O-N 3.49Å; V61-L64 PolarHBondContact O-N 3.24Å; L64-S66 VanDerWaalsContact C-N 3.34Å; L64-S66 PolarHBondContact O-N 3.37Å; L64-D67 PolarHBondContact O-N 3.04Å; L64-E68 WeakPolarHBondContact O-CB 3.41Å; L64-E68 PolarHBondContact O-N 3.48Å
65V95.8Very high95.4Very high20 Ų2081.9 Ų81.912%0.12143%0.427CS..Hα-helixtrans-67.3-35.7179.1170.90000111.9V61 Q63 N69 R154 F155V61-V65 WeakPolarHBondContact O-CG2 3.34Å; V61-V65 PolarHBondContact O-N 3.31Å; Q63-V65 PolarHBondContact O-N 3.09Å; V65-N69 WeakPolarHBondContact O-CB 3.42Å; V65-N69 PolarHBondContact O-N 3.06Å; V65-N69 PolarHBondContact O-ND2 3.09Å; V65-N69 VanDerWaalsContact O-ND2 3.09Å; V65-R154 HydrophobicContact CG1-CG 4.18Å; V65-F155 HydrophobicContact CB-CZ 4.42Å; V65-F155 HydrophobicContact CG2-CE1 4.41Å; V65-F155 HydrophobicContact CG2-CZ 3.75Å
66S95.3Very high95.4Very high53 Ų5375.5 Ų75.537%0.37140%0.396SS..Hα-helixtrans-62.9-46175.6-172.10000111.3K62 Q63 L64 N69 K70K62-S66 WeakPolarHBondContact O-CB 3.4Å; K62-S66 PolarHBondContact O-N 3.02Å; Q63-S66 WeakPolarHBondContact O-CB 3.35Å; Q63-S66 PolarHBondContact O-N 3.36Å; Q63-S66 VanDerWaalsContact O-N 3.09Å; L64-S66 VanDerWaalsContact C-N 3.34Å; L64-S66 PolarHBondContact O-N 3.37Å; S66-N69 PolarHBondContact O-N 3.19Å; S66-K70 WeakPolarHBondContact O-CG 3.39Å; S66-K70 PolarHBondContact O-N 3.08Å
67D97.4Very high95.2Very high64 Ų6471.5 Ų71.534%0.34238%0.38SS..Hα-helixtrans-70.9-40.3-178.6-65-23.6000111.5Q63 L64 N69 K70 T71Q63-D67 PolarHBondContact O-N 2.93Å; L64-D67 PolarHBondContact O-N 3.04Å; D67-N69 VanDerWaalsContact C-N 3.33Å; D67-N69 PolarHBondContact O-N 2.91Å; D67-K70 PolarHBondContact O-N 3.17Å; D67-K70 IonicContact OD1-NZ 3.74Å; D67-K70 PolarHBondContact OD1-NZ 2.73Å; D67-T71 PolarHBondContact O-N 3.4Å; D67-T71 PolarHBondContact O-OG1 3.09Å; D67-T71 VanDerWaalsContact O-OG1 3.09Å
68E96.7Very high94.9Very high76 Ų7671.1 Ų71.136%0.35538%0.378SS..Hα-helixtrans-57.8-44.4171.4-168.5-159.1144.200111.7L64 K70 T71 Q72 R154L64-E68 WeakPolarHBondContact O-CB 3.41Å; L64-E68 PolarHBondContact O-N 3.48Å; E68-K70 PolarHBondContact O-N 3.35Å; E68-T71 PolarHBondContact O-N 2.8Å; E68-Q72 WeakPolarHBondContact O-CB 3.37Å; E68-Q72 WeakPolarHBondContact O-CG 3.26Å; E68-Q72 PolarHBondContact O-N 2.69Å; E68-Q72 PolarHBondContact OE1-NE2 2.89Å; E68-R154 IonicContact OE1-CZ 3.98Å; E68-R154 IonicContact OE1-NH1 2.89Å; E68-R154 PolarHBondContact OE1-NH1 2.72Å; E68-R154 IonicContact OE1-NH2 3.24Å; E68-R154 PolarHBondContact OE1-NH2 2.8Å; E68-R154 IonicContact OE2-CZ 3.74Å; E68-R154 IonicContact OE2-NH1 2.86Å; E68-R154 PolarHBondContact OE2-NH1 2.89Å; E68-R154 IonicContact OE2-NH2 3.22Å
69N95.8Very high94.7Very high29 Ų2969.4 Ų69.416%0.15537%0.369CS..Hα-helixtrans-61.8-42.7176.9-70.6-27.2000111.5V65 S66 D67 Q72 L73 R154 P171V65-N69 WeakPolarHBondContact O-CB 3.42Å; V65-N69 PolarHBondContact O-N 3.06Å; V65-N69 PolarHBondContact O-ND2 3.09Å; V65-N69 VanDerWaalsContact O-ND2 3.09Å; S66-N69 PolarHBondContact O-N 3.19Å; D67-N69 VanDerWaalsContact C-N 3.33Å; D67-N69 PolarHBondContact O-N 2.91Å; N69-Q72 PolarHBondContact O-N 3.46Å; N69-L73 WeakPolarHBondContact O-CB 3.35Å; N69-L73 VanDerWaalsContact O-CG 3.26Å; N69-L73 WeakPolarHBondContact O-CG 3.44Å; N69-L73 PolarHBondContact O-N 3.4Å; N69-R154 PolarHBondContact OD1-NH2 3.2Å; N69-P171 HydrophobicContact CB-CB 4.4Å; N69-P171 WeakPolarHBondContact OD1-CB 3.37Å
70K95.9Very high94.5Very high115 Ų11568.1 Ų68.150%0.536%0.357SS..Hα-helixtrans-62.6-47.9177.2-68.8170.8-162156.90110.3S66 D67 E68 Q72 L73 T74S66-K70 WeakPolarHBondContact O-CG 3.39Å; S66-K70 PolarHBondContact O-N 3.08Å; D67-K70 PolarHBondContact O-N 3.17Å; D67-K70 IonicContact OD1-NZ 3.74Å; D67-K70 PolarHBondContact OD1-NZ 2.73Å; E68-K70 PolarHBondContact O-N 3.35Å; K70-Q72 VanDerWaalsContact C-N 3.34Å; K70-Q72 PolarHBondContact O-N 2.9Å; K70-L73 PolarHBondContact O-N 3.16Å; K70-T74 WeakPolarHBondContact O-CB 3.18Å; K70-T74 PolarHBondContact O-N 3.42Å; K70-T74 PolarHBondContact O-OG1 3.35Å
71T96.3Very high94.1Very high99 Ų9970.2 Ų70.261%0.60737%0.365SS*.Hα-helixtrans-58.7-44.7177.6-57.40000111.8D67 E68 T74 S75D67-T71 PolarHBondContact O-N 3.4Å; D67-T71 PolarHBondContact O-OG1 3.09Å; D67-T71 VanDerWaalsContact O-OG1 3.09Å; E68-T71 PolarHBondContact O-N 2.8Å; T71-T74 PolarHBondContact O-N 2.83Å; T71-S75 WeakPolarHBondContact O-CB 3.49Å; T71-S75 PolarHBondContact O-N 3.41Å
72Q94.7Very high93.7Very high36 Ų3672 Ų7217%0.16837%0.374CS..Hα-helixtrans-59.6-47.7175.8-78170.8-5.400111.7E68 N69 K70 S75 K76E68-Q72 WeakPolarHBondContact O-CB 3.37Å; E68-Q72 WeakPolarHBondContact O-CG 3.26Å; E68-Q72 PolarHBondContact O-N 2.69Å; E68-Q72 PolarHBondContact OE1-NE2 2.89Å; N69-Q72 PolarHBondContact O-N 3.46Å; K70-Q72 VanDerWaalsContact C-N 3.34Å; K70-Q72 PolarHBondContact O-N 2.9Å; Q72-S75 PolarHBondContact O-N 3.36Å; Q72-S75 PolarHBondContact O-OG 3.04Å; Q72-K76 PolarHBondContact O-N 2.99Å
73L94.2Very high93.4Very high34 Ų3474.2 Ų74.218%0.17839%0.386CS..Hα-helixtrans-64.9-46178.9-68.7172.3000111.9N69 K70 S75 K76 L170 P171N69-L73 WeakPolarHBondContact O-CB 3.35Å; N69-L73 VanDerWaalsContact O-CG 3.26Å; N69-L73 WeakPolarHBondContact O-CG 3.44Å; N69-L73 PolarHBondContact O-N 3.4Å; K70-L73 PolarHBondContact O-N 3.16Å; L73-S75 VanDerWaalsContact C-N 3.28Å; L73-S75 PolarHBondContact O-N 3.47Å; L73-K76 PolarHBondContact O-N 3.36Å; L73-K76 VanDerWaalsContact O-N 3.15Å; L73-L170 HydrophobicContact CD2-CD2 4.29Å; L73-P171 HydrophobicContact CD1-CG 4.37Å; L73-P171 HydrophobicContact CD2-CG 3.83Å; L73-P171 HydrophobicContact CG-CG 4Å
74T94.2Very high93Very high90 Ų9071.3 Ų71.355%0.55238%0.378SS*.Hα-helixtrans-61-37.5177.9-59.20000111.8K70 T71 K76 L77K70-T74 WeakPolarHBondContact O-CB 3.18Å; K70-T74 PolarHBondContact O-N 3.42Å; K70-T74 PolarHBondContact O-OG1 3.35Å; T71-T74 PolarHBondContact O-N 2.83Å; T74-K76 PolarHBondContact O-N 2.93Å; T74-L77 HydrophobicContact CG2-CD1 4.23Å; T74-L77 PolarHBondContact O-N 3.37Å
75S93.6Very high92.8Very high78 Ų7871.6 Ų71.655%0.54537%0.373SS..Hα-helixtrans-63.1-25.4178.376.70000113.8T71 Q72 L73T71-S75 WeakPolarHBondContact O-CB 3.49Å; T71-S75 PolarHBondContact O-N 3.41Å; Q72-S75 PolarHBondContact O-N 3.36Å; Q72-S75 PolarHBondContact O-OG 3.04Å; L73-S75 VanDerWaalsContact C-N 3.28Å; L73-S75 PolarHBondContact O-N 3.47Å
76K92.8Very high92.6Very high45 Ų4575.5 Ų75.520%0.19640%0.398CS..THydrogen-bonded Turntrans-96.7-0.2-177.5-63.7-59.2-177.7-1750114.1Q72 L73 T74 N78 D82 L170 P192Q72-K76 PolarHBondContact O-N 2.99Å; L73-K76 PolarHBondContact O-N 3.36Å; L73-K76 VanDerWaalsContact O-N 3.15Å; T74-K76 PolarHBondContact O-N 2.93Å; K76-N78 PolarHBondContact O-N 3.4Å; K76-D82 IonicContact NZ-OD2 3.48Å; K76-L170 HydrophobicContact CB-CD2 4.32Å; K76-L170 HydrophobicContact CG-CD2 3.84Å; K76-L170 HydrophobicContact CG-CG 4.41Å; K76-P192 WeakPolarHBondContact O-CD 3.39Å; K76-P192 WeakPolarHBondContact O-CG 3Å
77L91.1Very high92.5Very high73 Ų7377.6 Ų77.638%0.38241%0.405SS..SBendtrans-63.7-28.2-177.2-71.5175000113.8T74 P79 Y194T74-L77 HydrophobicContact CG2-CD1 4.23Å; T74-L77 PolarHBondContact O-N 3.37Å; L77-P79 WeakPolarHBondContact O-CD 3.43Å; L77-Y194 WeakPolarHBondContact CD2-OH 3.42Å
78N89.7Confident92.3Very high73 Ų7379 Ų7939%0.3941%0.41SS..  trans-106.967.4-172.9-63.2-41.4000114K76 L80 K81 D322K76-N78 PolarHBondContact O-N 3.4Å; N78-L80 VanDerWaalsContact C-N 3.31Å; N78-L80 PolarHBondContact O-N 2.84Å; N78-K81 HydrophobicContact CB-CD 4.31Å; N78-K81 PolarHBondContact O-N 3.02Å; N78-D322 WeakPolarHBondContact CA-OD2 3.37Å; N78-D322 PolarHBondContact OD1-OD1 3.45Å
79P90Very high92.2Very high13 Ų1380 Ų808%0.08442%0.422CS..THydrogen-bonded Turntrans-65.6-26.6-17227.8-38.1000114.7L77 K81 D82 T191 P192 F320 D322L77-P79 WeakPolarHBondContact O-CD 3.43Å; P79-K81 VanDerWaalsContact C-N 3.29Å; P79-K81 PolarHBondContact O-N 3.22Å; P79-D82 PolarHBondContact O-N 3.42Å; P79-T191 HydrophobicContact CB-CG2 3.78Å; P79-T191 HydrophobicContact CG-CG2 4.1Å; P79-P192 HydrophobicContact CG-CG 4.26Å; P79-F320 HydrophobicContact CB-CE1 4.46Å; P79-F320 HydrophobicContact CG-CD1 3.8Å; P79-F320 HydrophobicContact CG-CE1 4.11Å; P79-D322 WeakPolarHBondContact CD-OD2 3.39Å
80L89.8Confident92.1Very high46 Ų4681.4 Ų81.424%0.24143%0.425CS..THydrogen-bonded Turntrans-75.2-20.1-178.4-68.2180000113.1N78 P84 F320 G323N78-L80 VanDerWaalsContact C-N 3.31Å; N78-L80 PolarHBondContact O-N 2.84Å; L80-P84 HydrophobicContact CD2-CB 4.39Å; L80-P84 VanDerWaalsContact O-CD 3.31Å; L80-P84 WeakPolarHBondContact O-CD 3.44Å; L80-P84 WeakPolarHBondContact O-CG 3.4Å; L80-F320 HydrophobicContact CD1-CB 3.72Å; L80-F320 HydrophobicContact CD1-CG 4.1Å; L80-F320 HydrophobicContact CD2-CD1 3.97Å; L80-F320 HydrophobicContact CD2-CD2 4.22Å; L80-F320 HydrophobicContact CD2-CE1 4.14Å; L80-F320 HydrophobicContact CD2-CE2 4.39Å; L80-F320 HydrophobicContact CD2-CG 4Å; L80-F320 HydrophobicContact CD2-CZ 4.34Å; L80-F320 HydrophobicContact CG-CB 4.12Å; L80-F320 HydrophobicContact CG-CD1 4.01Å; L80-F320 HydrophobicContact CG-CG 4.06Å; L80-G323 VanDerWaalsContact CD1-CA 3.47Å
81K89.3Confident92Very high168 Ų16881 Ų8173%0.7343%0.426SS*.THydrogen-bonded Turntrans-88.3-23.7176.5-63.4177.5-177.2169.60112.2N78 P79 E83N78-K81 HydrophobicContact CB-CD 4.31Å; N78-K81 PolarHBondContact O-N 3.02Å; P79-K81 VanDerWaalsContact C-N 3.29Å; P79-K81 PolarHBondContact O-N 3.22Å; K81-E83 PolarHBondContact O-N 2.88Å
82D88.1Confident91.8Very high69 Ų6981.3 Ų81.337%0.36943%0.429SS..SBendtrans-93.772.7-178.5-177.210.5000111K76 P79 K188K76-D82 IonicContact NZ-OD2 3.48Å; P79-D82 PolarHBondContact O-N 3.42Å; D82-K188 PolarHBondContact O-NZ 3Å; D82-K188 IonicContact OD1-NZ 2.81Å; D82-K188 PolarHBondContact OD1-NZ 3.25Å
83E88.6Confident91.6Very high155 Ų15581.2 Ų81.272%0.72444%0.437SS*.  trans39.867.6175.3-61.8176173.800113K81 K188K81-E83 PolarHBondContact O-N 2.88Å; E83-K188 VanDerWaalsContact O-CD 3.31Å; E83-K188 WeakPolarHBondContact O-CD 3.46Å; E83-K188 PolarHBondContact O-NZ 3.44Å
84P86.9Confident91.6Very high66 Ų6680.1 Ų80.143%0.42943%0.433SS..PPolyproline II helixtrans-65.8145.5-178.929-35.5000110.5L80L80-P84 HydrophobicContact CD2-CB 4.39Å; L80-P84 VanDerWaalsContact O-CD 3.31Å; L80-P84 WeakPolarHBondContact O-CD 3.44Å; L80-P84 WeakPolarHBondContact O-CG 3.4Å
85W92.2Very high91.5Very high101 Ų10180.4 Ų80.438%0.38343%0.427SS..PPolyproline II helixtrans-69.1157.2169.3-70.10.2000110.6L87 Y132 V186 K188W85-L87 PolarHBondContact O-N 3.12Å; W85-Y132 AromaticContact CH2-CD1 3.97Å; W85-Y132 HydrophobicContact CH2-CD1 3.97Å; W85-Y132 HydrophobicContact CH2-CG 4.32Å; W85-Y132 AromaticContact CZ3-CD1 3.98Å; W85-Y132 HydrophobicContact CZ3-CD1 3.98Å; W85-Y132 HydrophobicContact CZ3-CG 4.14Å; W85-V186 HydrophobicContact CE3-CG1 3.63Å; W85-V186 HydrophobicContact CZ3-CG1 3.39Å; W85-K188 HydrophobicContact CD2-CB 4.04Å; W85-K188 HydrophobicContact CG-CB 4.07Å
86P92.7Very high91.6Very high102 Ų10277.4 Ų77.466%0.66240%0.403SS*.PPolyproline II helixtrans-53.9131.4179.6-25.934.8000112.2
87L92.5Very high91.8Very high98 Ų9875.3 Ų75.351%0.51339%0.394SS..PPolyproline II helixtrans-89.8124.5175.9-59.6179.1000109W85 P317 F320W85-L87 PolarHBondContact O-N 3.12Å; L87-P317 HydrophobicContact CD2-CG 3.86Å; L87-F320 HydrophobicContact CD2-CE2 4.11Å; L87-F320 HydrophobicContact CD2-CZ 4.32Å
88H94.1Very high92Very high94 Ų9471.8 Ų71.844%0.43538%0.376SS..PPolyproline II helixtrans-101.7148.8176.4-62.4-77000110.5N184 F316H88-N184 HydrophobicContact CB-CB 3.74Å; H88-F316 VanDerWaalsContact O-CD1 3.27Å; H88-F316 WeakPolarHBondContact O-CD1 3.48Å; H88-F316 WeakPolarHBondContact O-CE1 3.37Å
89P93.5Very high92.4Very high96 Ų9668.3 Ų68.362%0.62336%0.357SS*.PPolyproline II helixtrans-67.7161.6173.430.1-35.2000111.3F316P89-F316 WeakPolarHBondContact O-CE1 3.45Å
90W94.2Very high92.8Very high58 Ų5867.8 Ų67.822%0.2235%0.354CS..PPolyproline II helixtrans-68.1134173.3177.687.8000110.9P92 K312 F316W90-P92 HydrophobicContact CH2-CB 4.38Å; W90-P92 HydrophobicContact CH2-CG 4.2Å; W90-P92 HydrophobicContact CZ3-CG 4.17Å; W90-K312 HydrophobicContact CD2-CB 4.34Å; W90-K312 HydrophobicContact CE3-CB 4.08Å; W90-K312 HydrophobicContact CE3-CG 3.91Å; W90-K312 HydrophobicContact CH2-CB 3.88Å; W90-K312 HydrophobicContact CH2-CG 4.27Å; W90-K312 HydrophobicContact CZ2-CB 4.15Å; W90-K312 HydrophobicContact CZ3-CB 3.84Å; W90-K312 HydrophobicContact CZ3-CD 4.18Å; W90-K312 HydrophobicContact CZ3-CG 3.74Å; W90-F316 HydrophobicContact CB-CB 4.32Å; W90-F316 HydrophobicContact CB-CD1 4.24Å; W90-F316 HydrophobicContact CB-CG 4.1Å; W90-F316 AromaticContact CD1-CD2 3.95Å
91E93.9Very high93.2Very high108 Ų10865.7 Ų65.751%0.50534%0.343SS..  trans-120.8150.8174.7-63.4178178.700110.8G93 S94E91-G93 PolarHBondContact O-N 2.84Å; E91-S94 PolarHBondContact N-OG 3.13Å; E91-S94 WeakPolarHBondContact O-CB 3.19Å; E91-S94 PolarHBondContact O-N 3.49Å; E91-S94 PolarHBondContact O-OG 3.24Å
92P91.9Very high93.7Very high105 Ų10558.2 Ų58.268%0.68231%0.311SS*.THydrogen-bonded Turntrans-56.1130.6173.9-24.934.7000112.2W90W90-P92 HydrophobicContact CH2-CB 4.38Å; W90-P92 HydrophobicContact CH2-CG 4.2Å; W90-P92 HydrophobicContact CZ3-CG 4.17Å
93G90.6Very high94.2Very high33 Ų3355.9 Ų55.934%0.3430%0.298SS..THydrogen-bonded Turntrans83.86.9-175.900000115.3E91E91-G93 PolarHBondContact O-N 2.84Å
94S93.3Very high94.6Very high12 Ų1251.2 Ų51.28%0.08428%0.277CS..  trans-69.6141.2172.3-57.20000112.2E91 T182 N184E91-S94 PolarHBondContact N-OG 3.13Å; E91-S94 WeakPolarHBondContact O-CB 3.19Å; E91-S94 PolarHBondContact O-N 3.49Å; E91-S94 PolarHBondContact O-OG 3.24Å; S94-T182 WeakPolarHBondContact CA-OG1 3.47Å; S94-N184 PolarHBondContact OG-ND2 2.82Å
95F93.6Very high95.1Very high96 Ų9648.6 Ų48.642%0.42126%0.262SS..  trans-118.8117.2173.1-64-68.4000109.2V181 T182 A185F95-V181 WeakPolarHBondContact O-CA 3.46Å; F95-V181 WeakPolarHBondContact O-CG1 3.34Å; F95-T182 HydrophobicContact CB-CG2 4.24Å; F95-T182 HydrophobicContact CD2-CG2 3.84Å; F95-T182 HydrophobicContact CG-CG2 4.46Å; F95-T182 PolarHBondContact N-OG1 3.22Å; F95-T182 PolarHBondContact O-N 2.81Å; F95-T182 VanDerWaalsContact O-N 3.07Å; F95-T182 PolarHBondContact O-OG1 2.96Å; F95-A185 VanDerWaalsContact O-CB 3.28Å; F95-A185 WeakPolarHBondContact O-CB 3.41Å
96R94.5Very high95.4Very high14 Ų1448 Ų485%0.05327%0.265CS..  trans-88171.3175.664.2-177.7-177.7149.717.2112.7A185 H197 Q202 D301 P315 F316R96-A185 HydrophobicContact CB-CB 4.44Å; R96-H197 PolarHBondContact NH1-O 3.4Å; R96-H197 PolarHBondContact NH2-O 2.93Å; R96-Q202 VanDerWaalsContact NH2-OE1 3.14Å; R96-D301 WeakPolarHBondContact CG-OD2 3.4Å; R96-D301 IonicContact CZ-OD1 3.47Å; R96-D301 IonicContact CZ-OD2 3.69Å; R96-D301 IonicContact NE-OD1 2.8Å; R96-D301 PolarHBondContact NE-OD1 3.01Å; R96-D301 IonicContact NE-OD2 3.35Å; R96-D301 PolarHBondContact NE-OD2 3.19Å; R96-D301 IonicContact NH2-OD1 3.63Å; R96-D301 PolarHBondContact NH2-OD1 3.14Å; R96-D301 IonicContact NH2-OD2 3Å; R96-P315 PolarHBondContact NH1-O 3.2Å; R96-F316 HydrophobicContact CB-CD2 4.13Å; R96-F316 HydrophobicContact CB-CE2 4.18Å
97V96.5Very high95.7Very high1 Ų146.6 Ų46.61%0.00625%0.25CS..  trans-63.1158.3176.674.60000110.9L145 V147 I187 L193 H197V97-L145 HydrophobicContact CB-CD1 4.16Å; V97-L145 HydrophobicContact CG2-CB 4.37Å; V97-L145 HydrophobicContact CG2-CD1 4.05Å; V97-V147 HydrophobicContact CG2-CG2 3.62Å; V97-I187 HydrophobicContact CB-CD1 4.17Å; V97-I187 HydrophobicContact CG1-CD1 3.6Å; V97-L193 HydrophobicContact CG1-CD1 4.2Å; V97-L193 HydrophobicContact CG1-CD2 4.12Å; V97-L193 HydrophobicContact CG2-CD1 4.19Å; V97-H197 PolarHBondContact O-CE1 3Å; V97-H197 PolarHBondContact O-NE2 3.39Å
98G97.1Very high95.9Very high0 Ų044.4 Ų44.40%024%0.242CC..  trans-114.6-174.6169.100000112I299G98-I299 CarbonylContact C-O 3.51Å; G98-I299 VanDerWaalsContact CA-O 3.28Å; G98-I299 WeakPolarHBondContact CA-O 3.46Å
99L98Very high96Very high0 Ų040.7 Ų40.70%023%0.225CC..EExtended strand (participates in β ladder)trans-116.2158.9-176.9-59.2-175.6000112.9V124 L193 Y194 H197 F198 I283 I299L99-V124 HydrophobicContact CD1-CG1 4.33Å; L99-V124 HydrophobicContact CD1-CG2 3.72Å; L99-L193 HydrophobicContact CD2-CB 3.44Å; L99-L193 VanDerWaalsContact CD2-CB 3.44Å; L99-L193 HydrophobicContact CD2-CD1 3.92Å; L99-L193 HydrophobicContact CD2-CG 4.25Å; L99-Y194 WeakPolarHBondContact CD1-O 3.36Å; L99-H197 HydrophobicContact CD1-CB 4.13Å; L99-H197 HydrophobicContact CD2-CB 4.44Å; L99-H197 HydrophobicContact CG-CB 4.48Å; L99-F198 HydrophobicContact CB-CE2 4.01Å; L99-F198 HydrophobicContact CD1-CD2 3.78Å; L99-F198 HydrophobicContact CD1-CE2 3.54Å; L99-F198 HydrophobicContact CG-CD2 4.31Å; L99-F198 HydrophobicContact CG-CE2 3.59Å; L99-F198 HydrophobicContact CG-CZ 4.39Å; L99-I283 HydrophobicContact CD1-CD1 4.1Å; L99-I299 PolarHBondContact N-O 2.93Å; L99-I299 PolarHBondContact O-N 2.84Å
100I98.3Very high96.2Very high2 Ų242.1 Ų42.11%0.0122%0.218CC..EExtended strand (participates in β ladder)trans-109.3123.8163.5-61.2176.9000107.7C127 V147 K177 F179 L296 V297I100-C127 PolarHBondContact N-SG 3.49Å; I100-V147 HydrophobicContact CD1-CG1 4.33Å; I100-V147 WeakPolarHBondContact CD1-O 3.44Å; I100-V147 HydrophobicContact CG1-CG1 4.36Å; I100-K177 HydrophobicContact CD1-CB 3.9Å; I100-K177 HydrophobicContact CD1-CG 3.83Å; I100-K177 HydrophobicContact CG1-CB 4.31Å; I100-K177 HydrophobicContact CG1-CG 4.2Å; I100-F179 HydrophobicContact CG1-CE2 4.5Å; I100-L296 HydrophobicContact CG2-CB 4.44Å; I100-L296 HydrophobicContact CG2-CD2 4.09Å; I100-V297 WeakPolarHBondContact CA-O 3.48Å
101A98.4Very high96.3Very high1 Ų139.6 Ų39.61%0.00821%0.209CC..EExtended strand (participates in β ladder)trans-126164.1-179.700000111.4L122 Q123 V124 L296 V297 I299A101-L122 HydrophobicContact CB-CB 3.92Å; A101-Q123 CarbonylContact C-O 3.56Å; A101-Q123 VanDerWaalsContact CA-O 3.25Å; A101-Q123 WeakPolarHBondContact CA-O 3.3Å; A101-Q123 WeakPolarHBondContact CB-O 3.27Å; A101-V124 HydrophobicContact CB-CG2 4.19Å; A101-L296 CarbonylContact O-C 3.52Å; A101-L296 VanDerWaalsContact O-CA 3.31Å; A101-L296 WeakPolarHBondContact O-CA 3.4Å; A101-V297 HydrophobicContact CB-CG2 4.03Å; A101-V297 PolarHBondContact N-O 3.22Å; A101-V297 WeakPolarHBondContact O-CG2 3.25Å; A101-V297 PolarHBondContact O-N 2.9Å; A101-I299 HydrophobicContact CB-CD1 3.6Å; A101-I299 HydrophobicContact CB-CG1 4.41Å
102L98.3Very high96.3Very high12 Ų1238.3 Ų38.36%0.06320%0.202CC..EExtended strand (participates in β ladder)trans-102.7125173.8-175153.4000109L104 L122 Q123 K150 N294 C295 L296L102-L104 HydrophobicContact CD2-CD2 3.59Å; L102-L104 HydrophobicContact CD2-CG 4.15Å; L102-L104 PolarHBondContact O-N 3.19Å; L102-L122 CarbonylContact O-C 3.6Å; L102-L122 WeakPolarHBondContact O-CA 3.29Å; L102-Q123 PolarHBondContact N-O 3.16Å; L102-Q123 PolarHBondContact O-N 2.82Å; L102-K150 HydrophobicContact CD1-CD 4.36Å; L102-N294 HydrophobicContact CD2-CB 4.38Å; L102-C295 WeakPolarHBondContact CA-O 3.17Å; L102-L296 HydrophobicContact CB-CD2 4.33Å
103K98.4Very high96.4Very high20 Ų2038.3 Ų38.39%0.08720%0.196CC..EExtended strand (participates in β ladder)trans-75.1104.8176.8178.1-179.2175-177.90110.2T120 L122 V289 G291 N294 C295 V297K103-T120 HydrophobicContact CD-CG2 4.31Å; K103-T120 HydrophobicContact CG-CG2 3.89Å; K103-L122 HydrophobicContact CB-CD2 3.96Å; K103-L122 HydrophobicContact CG-CD2 4.22Å; K103-V289 HydrophobicContact CD-CB 4.37Å; K103-V289 HydrophobicContact CD-CG1 4.44Å; K103-V289 PolarHBondContact NZ-O 3.4Å; K103-G291 PolarHBondContact NZ-O 3.05Å; K103-N294 WeakPolarHBondContact O-CA 3.3Å; K103-N294 PolarHBondContact O-N 3.33Å; K103-C295 PolarHBondContact N-O 2.8Å; K103-V297 HydrophobicContact CB-CG1 4.1Å
104L98Very high96.6Very high56 Ų5638.6 Ų38.629%0.29320%0.199SC..EExtended strand (participates in β ladder)trans-74.8-57.5-179.7-68173.1000111.4L102 L121 Q123 I282L102-L104 HydrophobicContact CD2-CD2 3.59Å; L102-L104 HydrophobicContact CD2-CG 4.15Å; L102-L104 PolarHBondContact O-N 3.19Å; L104-L121 HydrophobicContact CB-CB 4.14Å; L104-L121 HydrophobicContact CD1-CB 4.35Å; L104-L121 PolarHBondContact N-O 3.3Å; L104-Q123 HydrophobicContact CD1-CB 3.9Å; L104-Q123 HydrophobicContact CD2-CB 4.49Å; L104-Q123 HydrophobicContact CG-CB 4.06Å; L104-I282 HydrophobicContact CD1-CD1 4.09Å
105G97.9Very high96.7Very high12 Ų1243.6 Ų43.612%0.12422%0.221CC..EExtended strand (participates in β ladder)trans-178-162.9-170.700000112.1T120 L121G105-T120 WeakPolarHBondContact O-CA 3.48Å; G105-T120 WeakPolarHBondContact O-CG2 3.34Å; G105-L121 PolarHBondContact O-N 2.99Å
106M98.5Very high96.8Very high89 Ų8946.2 Ų46.244%0.43823%0.233SC..EExtended strand (participates in β ladder)trans-129.2149176.4-64.4-179.670.100109.6A118 V119 S288M106-A118 HydrophobicContact CE-CB 4.16Å; M106-V119 CarbonylContact C-O 3.51Å; M106-V119 WeakPolarHBondContact CA-O 3.47Å; M106-S288 WeakPolarHBondContact CE-OG 3.34Å
107M97.6Very high97Very high71 Ų7147.7 Ų47.735%0.3524%0.24SC..EExtended strand (participates in β ladder)trans-141.7156.8174.769.1179.8-77.100110.5V119 L121 Y284M107-V119 HydrophobicContact CG-CG2 3.45Å; M107-V119 VanDerWaalsContact CG-CG2 3.45Å; M107-V119 PolarHBondContact N-O 3.4Å; M107-V119 WeakPolarHBondContact O-CG2 3.4Å; M107-V119 PolarHBondContact O-N 3.18Å; M107-V119 HydrophobicContact SD-CG2 4.43Å; M107-L121 HydrophobicContact CB-CD1 4.05Å; M107-L121 HydrophobicContact CG-CD1 3.71Å; M107-L121 HydrophobicContact CG-CG 4.47Å; M107-L121 HydrophobicContact SD-CD1 4.06Å; M107-L121 HydrophobicContact SD-CD2 4.11Å; M107-L121 HydrophobicContact SD-CG 4.28Å; M107-Y284 HydrophobicContact SD-CD1 3.9Å; M107-Y284 HydrophobicContact SD-CE1 3.49Å; M107-Y284 WeakPolarHBondContact SD-CE1 3.47Å
108P97.3Very high97Very high53 Ų5350.1 Ų50.134%0.34426%0.26SS..EExtended strand (participates in β ladder)trans-73.6151.3168.132.7-34.7000110.9W110 H117P108-W110 HydrophobicContact CB-CH2 3.81Å; P108-W110 HydrophobicContact CB-CZ2 4.21Å; P108-W110 HydrophobicContact CB-CZ3 4.05Å; P108-W110 HydrophobicContact CG-CH2 3.64Å; P108-W110 HydrophobicContact CG-CZ2 4.42Å; P108-W110 HydrophobicContact CG-CZ3 3.95Å; P108-H117 CarbonylContact C-O 3.44Å
109L96.7Very high97.1Very high15 Ų1550.1 Ų50.18%0.07926%0.26CS..EExtended strand (participates in β ladder)trans-139.3143.2171-176.7148.8000107.9H117 V119 W274 V337L109-H117 PolarHBondContact N-O 3.27Å; L109-H117 PolarHBondContact O-N 3.23Å; L109-H117 VanDerWaalsContact O-O 3.08Å; L109-V119 HydrophobicContact CB-CG1 3.88Å; L109-V119 HydrophobicContact CB-CG2 4.13Å; L109-V119 HydrophobicContact CD1-CG1 4.23Å; L109-W274 HydrophobicContact CD1-CB 3.88Å; L109-W274 HydrophobicContact CD1-CG 4.37Å; L109-W274 HydrophobicContact CD2-CD2 4.35Å; L109-W274 HydrophobicContact CD2-CG 4.45Å; L109-V337 HydrophobicContact CD1-CG1 4.07Å; L109-V337 HydrophobicContact CD1-CG2 4.49Å; L109-V337 HydrophobicContact CD2-CG1 3.98Å; L109-V337 HydrophobicContact CD2-CG2 4.03Å; L109-V337 HydrophobicContact CG-CG1 4.17Å
110W96.9Very high97.1Very high127 Ų12750.1 Ų50.148%0.48126%0.26SS..EExtended strand (participates in β ladder)trans-113136.3179.3-66.4-98.9000110.5P108 Q115 W338P108-W110 HydrophobicContact CB-CH2 3.81Å; P108-W110 HydrophobicContact CB-CZ2 4.21Å; P108-W110 HydrophobicContact CB-CZ3 4.05Å; P108-W110 HydrophobicContact CG-CH2 3.64Å; P108-W110 HydrophobicContact CG-CZ2 4.42Å; P108-W110 HydrophobicContact CG-CZ3 3.95Å; W110-Q115 WeakPolarHBondContact CA-O 3.31Å; W110-W338 PolarHBondContact O-N 3.47Å
111T96.2Very high97.1Very high4 Ų451.2 Ų51.23%0.02527%0.266CS..BIsolated β-bridgetrans-84.3156.9171.2-51.20000108.9D113 G114 Q115 H117 S336T111-D113 HydrophobicContact CG2-CB 4.21Å; T111-D113 PolarHBondContact O-N 2.6Å; T111-D113 VanDerWaalsContact O-N 3.16Å; T111-G114 PolarHBondContact O-N 2.97Å; T111-Q115 PolarHBondContact N-O 2.9Å; T111-H117 PolarHBondContact OG1-CD2 3.3Å; T111-H117 PolarHBondContact OG1-NE2 3.27Å; T111-S336 CarbonylContact C-O 3.57Å; T111-S336 VanDerWaalsContact CA-O 3.29Å; T111-S336 WeakPolarHBondContact CA-O 3.37Å; T111-S336 WeakPolarHBondContact CG2-O 3.37Å
112K95.2Very high97.1Very high81 Ų8151.2 Ų51.235%0.35227%0.265SS..THydrogen-bonded Turntrans-56.9-24.9172.3-69177.1176.3170.20113G114 E335 S336 V337 W338 E342K112-G114 PolarHBondContact O-N 3.15Å; K112-E335 WeakPolarHBondContact CD-O 3.39Å; K112-E335 WeakPolarHBondContact CE-O 3.44Å; K112-E335 PolarHBondContact NZ-O 3.02Å; K112-S336 PolarHBondContact N-O 3.36Å; K112-V337 VanDerWaalsContact CE-O 3.27Å; K112-V337 WeakPolarHBondContact CE-O 3.32Å; K112-W338 HydrophobicContact CG-CB 4.35Å; K112-E342 WeakPolarHBondContact CE-OE1 3.45Å; K112-E342 WeakPolarHBondContact CE-OE2 3.38Å; K112-E342 IonicContact NZ-OE1 2.81Å; K112-E342 PolarHBondContact NZ-OE1 3.27Å
113D94.2Very high97.1Very high105 Ų10552.7 Ų52.756%0.56127%0.272SS*.THydrogen-bonded Turntrans-72.90.9173.2-53.2-34.9000114.1T111 Q115T111-D113 HydrophobicContact CG2-CB 4.21Å; T111-D113 PolarHBondContact O-N 2.6Å; T111-D113 VanDerWaalsContact O-N 3.16Å; D113-Q115 HydrophobicContact CB-CG 4.39Å; D113-Q115 PolarHBondContact O-N 3.5Å
114G93.1Very high97.1Very high39 Ų3952.1 Ų52.140%0.40227%0.27SS..SBendtrans78.10.2-175.700000114.7T111 K112T111-G114 PolarHBondContact O-N 2.97Å; K112-G114 PolarHBondContact O-N 3.15Å
115Q95.9Very high97Very high117 Ų11752.3 Ų52.355%0.54727%0.27SS..  trans-74.8138.4177.6-63-171.613.600112W110 T111 D113W110-Q115 WeakPolarHBondContact CA-O 3.31Å; T111-Q115 PolarHBondContact N-O 2.9Å; D113-Q115 HydrophobicContact CB-CG 4.39Å; D113-Q115 PolarHBondContact O-N 3.5Å
116K96.6Very high96.8Very high152 Ų15254.9 Ų54.966%0.66128%0.28SS*.EExtended strand (participates in β ladder)trans-94.2121.5176.7-180-177.5177.3178.60110.7
117H97.4Very high96.8Very high45 Ų4550.8 Ų50.821%0.20826%0.261CS..EExtended strand (participates in β ladder)trans-109.8144.7170.1-62.5-77.8000111P108 L109 T111 W274P108-H117 CarbonylContact C-O 3.44Å; L109-H117 PolarHBondContact N-O 3.27Å; L109-H117 PolarHBondContact O-N 3.23Å; L109-H117 VanDerWaalsContact O-O 3.08Å; T111-H117 PolarHBondContact OG1-CD2 3.3Å; T111-H117 PolarHBondContact OG1-NE2 3.27Å; H117-W274 AromaticContact CD2-CZ2 3.82Å; H117-W274 AromaticContact CG-CZ2 3.97Å
118A97.7Very high96.8Very high51 Ų5147.8 Ų47.842%0.42125%0.246SC..EExtended strand (participates in β ladder)trans-96.1126170.300000108.7M106 G287M106-A118 HydrophobicContact CE-CB 4.16Å; A118-G287 VanDerWaalsContact O-CA 3.3Å; A118-G287 WeakPolarHBondContact O-CA 3.22Å; A118-G287 PolarHBondContact O-N 3.44Å
119V98.2Very high96.8Very high0 Ų045.3 Ų45.30%023%0.229CC..EExtended strand (participates in β ladder)trans-117147.7-178.7-57.20000111.2M106 M107 L109 W274 Y284 V285M106-V119 CarbonylContact C-O 3.51Å; M106-V119 WeakPolarHBondContact CA-O 3.47Å; M107-V119 HydrophobicContact CG-CG2 3.45Å; M107-V119 VanDerWaalsContact CG-CG2 3.45Å; M107-V119 PolarHBondContact N-O 3.4Å; M107-V119 WeakPolarHBondContact O-CG2 3.4Å; M107-V119 PolarHBondContact O-N 3.18Å; M107-V119 HydrophobicContact SD-CG2 4.43Å; L109-V119 HydrophobicContact CB-CG1 3.88Å; L109-V119 HydrophobicContact CB-CG2 4.13Å; L109-V119 HydrophobicContact CD1-CG1 4.23Å; V119-W274 VanDerWaalsContact CG1-CD1 3.44Å; V119-W274 HydrophobicContact CG1-CG 4.23Å; V119-Y284 HydrophobicContact CG2-CD1 4.22Å; V119-V285 CarbonylContact C-O 3.58Å; V119-V285 VanDerWaalsContact CA-O 3.29Å; V119-V285 WeakPolarHBondContact CA-O 3.37Å
120T98.7Very high96.8Very high0 Ų044.7 Ų44.70%023%0.227CC..EExtended strand (participates in β ladder)trans-102132.2173.6-610000109.8K103 G105 L122 V285 G287 V289K103-T120 HydrophobicContact CD-CG2 4.31Å; K103-T120 HydrophobicContact CG-CG2 3.89Å; G105-T120 WeakPolarHBondContact O-CA 3.48Å; G105-T120 WeakPolarHBondContact O-CG2 3.34Å; T120-L122 HydrophobicContact CG2-CD2 3.85Å; T120-L122 HydrophobicContact CG2-CG 4.44Å; T120-V285 PolarHBondContact N-O 3.46Å; T120-V285 PolarHBondContact O-N 2.81Å; T120-G287 PolarHBondContact OG1-O 2.99Å; T120-V289 HydrophobicContact CG2-CB 4.08Å; T120-V289 HydrophobicContact CG2-CG2 3.92Å
121L98.5Very high96.8Very high26 Ų2643 Ų4314%0.13622%0.223CC..EExtended strand (participates in β ladder)trans-89.3122.9177.7-59.582.9000110.1L104 G105 M107 I282 Y284L104-L121 HydrophobicContact CB-CB 4.14Å; L104-L121 HydrophobicContact CD1-CB 4.35Å; L104-L121 PolarHBondContact N-O 3.3Å; G105-L121 PolarHBondContact O-N 2.99Å; M107-L121 HydrophobicContact CB-CD1 4.05Å; M107-L121 HydrophobicContact CG-CD1 3.71Å; M107-L121 HydrophobicContact CG-CG 4.47Å; M107-L121 HydrophobicContact SD-CD1 4.06Å; M107-L121 HydrophobicContact SD-CD2 4.11Å; M107-L121 HydrophobicContact SD-CG 4.28Å; L121-I282 HydrophobicContact CB-CG2 4.07Å; L121-I282 HydrophobicContact CD2-CG2 4.49Å; L121-Y284 HydrophobicContact CD2-CD1 4.45Å; L121-Y284 HydrophobicContact CD2-CE1 3.73Å; L121-Y284 HydrophobicContact CG-CD1 4.05Å; L121-Y284 HydrophobicContact CG-CE1 3.84Å
122L98.5Very high96.8Very high0 Ų046.1 Ų46.10%023%0.234CC..EExtended strand (participates in β ladder)trans-119.6110.9179.9-57.5-177.8000109.9A101 L102 K103 T120 V206 I282 I283 V285 V289 V297 I299A101-L122 HydrophobicContact CB-CB 3.92Å; L102-L122 CarbonylContact O-C 3.6Å; L102-L122 WeakPolarHBondContact O-CA 3.29Å; K103-L122 HydrophobicContact CB-CD2 3.96Å; K103-L122 HydrophobicContact CG-CD2 4.22Å; T120-L122 HydrophobicContact CG2-CD2 3.85Å; T120-L122 HydrophobicContact CG2-CG 4.44Å; L122-V206 HydrophobicContact CD1-CG2 4.32Å; L122-I282 WeakPolarHBondContact O-CA 3.31Å; L122-I283 HydrophobicContact CB-CB 4.43Å; L122-I283 PolarHBondContact N-O 2.73Å; L122-I283 PolarHBondContact O-N 3.33Å; L122-V285 HydrophobicContact CD1-CB 4.26Å; L122-V285 HydrophobicContact CD1-CG2 3.65Å; L122-V285 HydrophobicContact CG-CG2 4.34Å; L122-V289 HydrophobicContact CD1-CG2 4.38Å; L122-V289 HydrophobicContact CD2-CG2 4.43Å; L122-V297 HydrophobicContact CD1-CG2 4.18Å; L122-V297 HydrophobicContact CD2-CG2 3.87Å; L122-I299 HydrophobicContact CB-CD1 4.08Å; L122-I299 HydrophobicContact CD1-CD1 3.47Å; L122-I299 VanDerWaalsContact CD1-CD1 3.47Å; L122-I299 HydrophobicContact CD1-CG1 4.02Å; L122-I299 HydrophobicContact CG-CD1 4.4Å
123Q98.5Very high96.8Very high43 Ų4343.4 Ų43.420%0.20123%0.225CC..EExtended strand (participates in β ladder)trans-93.8125.6-178.7-171.3-177.723.300111.5A101 L102 L104 Q125 N281 I282A101-Q123 CarbonylContact C-O 3.56Å; A101-Q123 VanDerWaalsContact CA-O 3.25Å; A101-Q123 WeakPolarHBondContact CA-O 3.3Å; A101-Q123 WeakPolarHBondContact CB-O 3.27Å; L102-Q123 PolarHBondContact N-O 3.16Å; L102-Q123 PolarHBondContact O-N 2.82Å; L104-Q123 HydrophobicContact CD1-CB 3.9Å; L104-Q123 HydrophobicContact CD2-CB 4.49Å; L104-Q123 HydrophobicContact CG-CB 4.06Å; Q123-Q125 HydrophobicContact CG-CG 3.97Å; Q123-Q125 PolarHBondContact O-N 3.46Å; Q123-N281 CarbonylContact C-O 3.58Å; Q123-N281 WeakPolarHBondContact CA-O 3.37Å; Q123-I282 HydrophobicContact CB-CG1 4.28Å; Q123-I282 HydrophobicContact CG-CG1 4.13Å
124V98Very high96.9Very high9 Ų940.4 Ų40.46%0.05521%0.211CC..  trans-86.1113.3175.1-175.60000108.1L99 A101 C127 A195 N281 I283L99-V124 HydrophobicContact CD1-CG1 4.33Å; L99-V124 HydrophobicContact CD1-CG2 3.72Å; A101-V124 HydrophobicContact CB-CG2 4.19Å; V124-C127 HydrophobicContact CG1-CB 3.5Å; V124-C127 VanDerWaalsContact CG1-CB 3.5Å; V124-A195 HydrophobicContact CG2-CB 4.08Å; V124-N281 HydrophobicContact CB-CB 4.21Å; V124-N281 PolarHBondContact N-O 3.28Å; V124-N281 WeakPolarHBondContact O-CB 3.27Å; V124-I283 HydrophobicContact CG2-CD1 3.88Å; V124-I283 HydrophobicContact CG2-CG1 4.49Å
125Q95.1Very high96.8Very high59 Ų5942 Ų4228%0.27621%0.206SC..  trans-118.2121-179.2-65.2-176.8-8.200110.2Q123 C127 K150Q123-Q125 HydrophobicContact CG-CG 3.97Å; Q123-Q125 PolarHBondContact O-N 3.46Å; Q125-C127 PolarHBondContact O-N 3.38Å; Q125-C127 VanDerWaalsContact O-N 3.15Å; Q125-K150 PolarHBondContact O-N 3.5Å; Q125-K150 VanDerWaalsContact O-N 3.07Å
126D94.5Very high96.7Very high66 Ų6644.8 Ų44.835%0.35322%0.22SC..SBendtrans41.647.5177.9-51.8-29.3000114.3H128 T151 K173D126-H128 PolarHBondContact O-ND1 3.48Å; D126-T151 WeakPolarHBondContact CB-OG1 3.4Å; D126-T151 WeakPolarHBondContact OD2-CB 3.42Å; D126-T151 PolarHBondContact OD2-OG1 3.44Å; D126-K173 VanDerWaalsContact CB-NZ 3.29Å; D126-K173 PolarHBondContact O-NZ 2.87Å
127C97.6Very high96.5Very high3 Ų343.4 Ų43.42%0.0222%0.219CC..EExtended strand (participates in β ladder)trans-81.1119.4-178-166.70000109.9I100 V124 Q125 V147 G148 L193I100-C127 PolarHBondContact N-SG 3.49Å; V124-C127 HydrophobicContact CG1-CB 3.5Å; V124-C127 VanDerWaalsContact CG1-CB 3.5Å; Q125-C127 PolarHBondContact O-N 3.38Å; Q125-C127 VanDerWaalsContact O-N 3.15Å; C127-V147 WeakPolarHBondContact SG-CG1 3.33Å; C127-G148 WeakPolarHBondContact CA-O 3.45Å; C127-L193 HydrophobicContact CB-CB 4.28Å; C127-L193 PolarHBondContact O-N 2.78Å
128H97.5Very high96Very high9 Ų943.5 Ų43.54%0.04222%0.22CC..EExtended strand (participates in β ladder)trans-136.7149-177.4-6274.2000111D126 V147 G148 L170 T191D126-H128 PolarHBondContact O-ND1 3.48Å; H128-V147 WeakPolarHBondContact O-CA 3.33Å; H128-G148 PolarHBondContact N-O 3.15Å; H128-G148 VanDerWaalsContact N-O 3.07Å; H128-G148 PolarHBondContact O-N 2.79Å; H128-L170 HydrophobicContact CB-CD1 3.7Å; H128-T191 WeakPolarHBondContact CA-O 3.22Å
129V97.4Very high95.2Very high0 Ų046.4 Ų46.40%023%0.228CC..EExtended strand (participates in β ladder)trans-72.5127.6168.9-176.30000108.7L145 I187 G190 T191 L193V129-L145 HydrophobicContact CG1-CD2 3.95Å; V129-I187 HydrophobicContact CG2-CB 4.31Å; V129-I187 HydrophobicContact CG2-CG2 4.05Å; V129-G190 PolarHBondContact O-N 3.26Å; V129-T191 PolarHBondContact N-O 3.32Å; V129-L193 HydrophobicContact CG2-CD1 4.01Å; V129-L193 HydrophobicContact CG2-CD2 4.43Å; V129-L193 HydrophobicContact CG2-CG 4.29Å
130L97.2Very high94.4Very high3 Ų349 Ų492%0.01626%0.256CS..EExtended strand (participates in β ladder)trans-99-46.8-176.3-60-178000112.8T146 F164 Y165 L168 K173 H176L130-T146 HydrophobicContact CB-CG2 4.4Å; L130-T146 WeakPolarHBondContact CB-O 3.2Å; L130-T146 HydrophobicContact CD1-CG2 4.31Å; L130-T146 PolarHBondContact N-O 3.07Å; L130-F164 HydrophobicContact CB-CE1 4.13Å; L130-F164 HydrophobicContact CB-CZ 4.03Å; L130-Y165 WeakPolarHBondContact CD1-OH 3.34Å; L130-Y165 HydrophobicContact CD2-CE1 3.74Å; L130-L168 HydrophobicContact CB-CD2 4.35Å; L130-L168 HydrophobicContact CD2-CD2 3.78Å; L130-K173 HydrophobicContact CD2-CG 4.47Å; L130-H176 HydrophobicContact CD1-CB 4.33Å
131K96.3Very high94Very high92 Ų9257.4 Ų57.440%0.429%0.292SS..EExtended strand (participates in β ladder)trans-151.3150179.563.6166.4-172.2170.60110.9T146 F164K131-T146 WeakPolarHBondContact CE-OG1 2.94Å; K131-T146 VanDerWaalsContact CG-CB 3.47Å; K131-T146 HydrophobicContact CG-CG2 4.29Å; K131-T146 WeakPolarHBondContact CG-OG1 3.36Å; K131-T146 PolarHBondContact N-O 2.82Å; K131-T146 PolarHBondContact O-N 3.18Å; K131-F164 HydrophobicContact CB-CZ 4.4Å
132Y96.5Very high93.7Very high69 Ų6958.9 Ų58.927%0.27130%0.299SS..EExtended strand (participates in β ladder)trans-103.5139.8167.2170.3-113.2000109.2W85 P134 A143 L145 V186W85-Y132 AromaticContact CH2-CD1 3.97Å; W85-Y132 HydrophobicContact CH2-CD1 3.97Å; W85-Y132 HydrophobicContact CH2-CG 4.32Å; W85-Y132 AromaticContact CZ3-CD1 3.98Å; W85-Y132 HydrophobicContact CZ3-CD1 3.98Å; W85-Y132 HydrophobicContact CZ3-CG 4.14Å; Y132-P134 HydrophobicContact CE1-CB 4.21Å; Y132-A143 HydrophobicContact CE2-CB 3.77Å; Y132-L145 HydrophobicContact CD2-CD2 3.72Å; Y132-L145 HydrophobicContact CD2-CG 4.49Å; Y132-L145 HydrophobicContact CG-CD2 4.26Å; Y132-V186 HydrophobicContact CD1-CG1 4.39Å; Y132-V186 HydrophobicContact CD2-CG1 3.53Å; Y132-V186 HydrophobicContact CD2-CG2 4.26Å; Y132-V186 HydrophobicContact CE1-CG1 4.37Å; Y132-V186 HydrophobicContact CE2-CB 4.2Å; Y132-V186 HydrophobicContact CE2-CG1 3.49Å; Y132-V186 VanDerWaalsContact CE2-CG1 3.49Å; Y132-V186 HydrophobicContact CE2-CG2 3.51Å; Y132-V186 HydrophobicContact CG-CG1 3.99Å
133T95.8Very high93.5Very high24 Ų2458.9 Ų58.915%0.14730%0.299CS..EExtended strand (participates in β ladder)trans-128.2119.3173.5-56.40000107.4D137 H138 A144T133-D137 HydrophobicContact CG2-CB 3.72Å; T133-H138 HydrophobicContact CG2-CB 3.95Å; T133-A144 PolarHBondContact N-O 3.23Å; T133-A144 PolarHBondContact O-N 3.07Å
134P95Very high93.3Very high42 Ų4256.9 Ų56.927%0.27329%0.29SS..  trans-65.3166.4-177.628.9-35.1000111.4Y132 E136 D137 H138Y132-P134 HydrophobicContact CE1-CB 4.21Å; P134-E136 VanDerWaalsContact C-N 3.26Å; P134-E136 PolarHBondContact O-N 3.32Å; P134-D137 HydrophobicContact CG-CB 4.09Å; P134-D137 VanDerWaalsContact CG-OD2 3.25Å; P134-D137 WeakPolarHBondContact CG-OD2 3.13Å; P134-D137 PolarHBondContact O-N 3.13Å; P134-H138 PolarHBondContact O-N 3.47Å
135K93Very high93.3Very high71 Ų7156.4 Ų56.431%0.30929%0.288SS..Hα-helixtrans-54.5-43.2-178.8-76.7174.4167.5168.40112.5H138 N139 G140 A143 D183K135-H138 PolarHBondContact O-N 3.34Å; K135-N139 PolarHBondContact O-N 3.26Å; K135-G140 WeakPolarHBondContact O-CA 3.33Å; K135-G140 PolarHBondContact O-N 2.92Å; K135-A143 HydrophobicContact CG-CB 4.07Å; K135-D183 WeakPolarHBondContact CD-OD1 3.44Å; K135-D183 WeakPolarHBondContact CD-OD2 3.12Å; K135-D183 WeakPolarHBondContact CE-OD1 3.43Å; K135-D183 WeakPolarHBondContact CE-OD2 3.01Å; K135-D183 IonicContact NZ-OD1 3.68Å; K135-D183 PolarHBondContact NZ-OD1 2.92Å; K135-D183 IonicContact NZ-OD2 3.13Å; K135-D183 PolarHBondContact NZ-OD2 3.29Å
136E92.6Very high93.4Very high177 Ų17754 Ų5483%0.82728%0.277SS*.Hα-helixtrans-60-46.7-177-62.7175.3-171.800111.7P134P134-E136 VanDerWaalsContact C-N 3.26Å; P134-E136 PolarHBondContact O-N 3.32Å
137D92.5Very high93.6Very high122 Ų12250.9 Ų50.965%0.65226%0.26SS*.Hα-helixtrans-80-17.9-176.1-67.7-24.5000114.4T133 P134T133-D137 HydrophobicContact CG2-CB 3.72Å; P134-D137 HydrophobicContact CG-CB 4.09Å; P134-D137 VanDerWaalsContact CG-OD2 3.25Å; P134-D137 WeakPolarHBondContact CG-OD2 3.13Å; P134-D137 PolarHBondContact O-N 3.13Å
138H87.4Confident93.6Very high47 Ų4750.8 Ų50.822%0.21826%0.259CS..Hα-helixtrans-92-74.3-174.1-178.6-117.5000112.8T133 P134 K135 I142 A144 H180T133-H138 HydrophobicContact CG2-CB 3.95Å; P134-H138 PolarHBondContact O-N 3.47Å; K135-H138 PolarHBondContact O-N 3.34Å; H138-I142 PolarHBondContact ND1-O 2.92Å; H138-I142 VanDerWaalsContact ND1-O 3.16Å; H138-A144 HydrophobicContact CB-CB 4.26Å; H138-H180 AromaticContact CE1-CD2 3.66Å; H138-H180 AromaticContact CE1-NE2 3.53Å
139N80Confident93.5Very high112 Ų11250.3 Ų50.360%0.59926%0.257SS*.THydrogen-bonded Turntrans-144.69.9-174.5-78.9-24.8000111.9K135 K141K135-N139 PolarHBondContact O-N 3.26Å; N139-K141 PolarHBondContact O-N 2.88Å
140G82.5Confident93.4Very high56 Ų5653.4 Ų53.458%0.57727%0.271SS*.SBendtrans71.4-14.4-175.700000116K135K135-G140 WeakPolarHBondContact O-CA 3.33Å; K135-G140 PolarHBondContact O-N 2.92Å
141K89Confident93.4Very high176 Ų17654.9 Ų54.977%0.76528%0.28SS*.SBendtrans-107.7-47.7-173.5-62.3-174.6-179.3-175.70114.3N139N139-K141 PolarHBondContact O-N 2.88Å
142I91.9Very high93.4Very high56 Ų5651.9 Ų51.929%0.28727%0.269SS..SBendtrans-138.4137.2-171.3-51.1176.7000108.7H138 H180 V181H138-I142 PolarHBondContact ND1-O 2.92Å; H138-I142 VanDerWaalsContact ND1-O 3.16Å; I142-H180 HydrophobicContact CB-CB 4.46Å; I142-H180 HydrophobicContact CG2-CB 3.85Å; I142-V181 WeakPolarHBondContact CG2-O 3.25Å
143A94.8Very high93.3Very high0 Ų050.8 Ų50.80%027%0.272CS..EExtended strand (participates in β ladder)trans-69.1160176.500000111Y132 K135 H180 V181Y132-A143 HydrophobicContact CE2-CB 3.77Å; K135-A143 HydrophobicContact CG-CB 4.07Å; A143-H180 WeakPolarHBondContact O-CA 3.47Å; A143-V181 PolarHBondContact N-O 2.74Å; A143-V181 PolarHBondContact O-N 2.84Å
144A95.8Very high93.2Very high1 Ų152 Ų521%0.00827%0.274CS..EExtended strand (participates in β ladder)trans-124.5125.5-177.100000111.5T133 H138 I178 F179T133-A144 PolarHBondContact N-O 3.23Å; T133-A144 PolarHBondContact O-N 3.07Å; H138-A144 HydrophobicContact CB-CB 4.26Å; A144-I178 HydrophobicContact CB-CG2 3.64Å; A144-F179 WeakPolarHBondContact CA-O 3.48Å
145L96.7Very high93.2Very high0 Ų053.1 Ų53.10%027%0.274CS..EExtended strand (participates in β ladder)trans-101.3126.3165.3-73.2-179.7000109.4V97 V129 Y132 I178 F179 V181 I187V97-L145 HydrophobicContact CB-CD1 4.16Å; V97-L145 HydrophobicContact CG2-CB 4.37Å; V97-L145 HydrophobicContact CG2-CD1 4.05Å; V129-L145 HydrophobicContact CG1-CD2 3.95Å; Y132-L145 HydrophobicContact CD2-CD2 3.72Å; Y132-L145 HydrophobicContact CD2-CG 4.49Å; Y132-L145 HydrophobicContact CG-CD2 4.26Å; L145-I178 CarbonylContact O-C 3.56Å; L145-I178 WeakPolarHBondContact O-CA 3.31Å; L145-F179 PolarHBondContact N-O 3.05Å; L145-F179 PolarHBondContact O-N 2.98Å; L145-V181 HydrophobicContact CB-CG2 4.19Å; L145-V181 HydrophobicContact CD1-CB 4.37Å; L145-V181 HydrophobicContact CD1-CG1 4.08Å; L145-V181 HydrophobicContact CD1-CG2 4.03Å; L145-V181 HydrophobicContact CG-CB 4.41Å; L145-V181 HydrophobicContact CG-CG2 4.18Å; L145-I187 HydrophobicContact CD1-CB 4.26Å; L145-I187 HydrophobicContact CD1-CG1 4.43Å
146T97.6Very high93.2Very high9 Ų957.6 Ų57.66%0.05529%0.291CS..EExtended strand (participates in β ladder)trans-94.4121.1172-56.20000108.8L130 K131 H176L130-T146 HydrophobicContact CB-CG2 4.4Å; L130-T146 WeakPolarHBondContact CB-O 3.2Å; L130-T146 HydrophobicContact CD1-CG2 4.31Å; L130-T146 PolarHBondContact N-O 3.07Å; K131-T146 WeakPolarHBondContact CE-OG1 2.94Å; K131-T146 VanDerWaalsContact CG-CB 3.47Å; K131-T146 HydrophobicContact CG-CG2 4.29Å; K131-T146 WeakPolarHBondContact CG-OG1 3.36Å; K131-T146 PolarHBondContact N-O 2.82Å; K131-T146 PolarHBondContact O-N 3.18Å; T146-H176 HydrophobicContact CG2-CB 3.97Å
147V98Very high93.4Very high0 Ų051.5 Ų51.50%026%0.261CS..EExtended strand (participates in β ladder)trans-111.9140.2179.2177.60000109.2V97 I100 C127 H128 H176 K177 F179 L193V97-V147 HydrophobicContact CG2-CG2 3.62Å; I100-V147 HydrophobicContact CD1-CG1 4.33Å; I100-V147 WeakPolarHBondContact CD1-O 3.44Å; I100-V147 HydrophobicContact CG1-CG1 4.36Å; C127-V147 WeakPolarHBondContact SG-CG1 3.33Å; H128-V147 WeakPolarHBondContact O-CA 3.33Å; V147-H176 CarbonylContact O-C 3.51Å; V147-H176 VanDerWaalsContact O-CA 3.31Å; V147-H176 WeakPolarHBondContact O-CA 3.39Å; V147-K177 PolarHBondContact N-O 3.42Å; V147-K177 PolarHBondContact O-N 3.5Å; V147-F179 HydrophobicContact CB-CD2 4Å; V147-F179 HydrophobicContact CB-CE2 3.8Å; V147-F179 HydrophobicContact CG1-CE2 4.46Å; V147-F179 HydrophobicContact CG2-CD2 3.7Å; V147-F179 HydrophobicContact CG2-CE2 3.92Å; V147-L193 HydrophobicContact CG1-CD1 4.01Å; V147-L193 HydrophobicContact CG2-CD1 4.15Å
148G97.5Very high93.5Very high0 Ų049 Ų490%025%0.252CS..EExtended strand (participates in β ladder)trans-110.9144.7175.300000111.3C127 H128 I175C127-G148 WeakPolarHBondContact CA-O 3.45Å; H128-G148 PolarHBondContact N-O 3.15Å; H128-G148 VanDerWaalsContact N-O 3.07Å; H128-G148 PolarHBondContact O-N 2.79Å; G148-I175 WeakPolarHBondContact CA-O 3.31Å
149G95.6Very high93.9Very high0 Ų052.5 Ų52.50%027%0.272CS..EExtended strand (participates in β ladder)trans-137152.517600000112.5Q174 I175G149-Q174 PolarHBondContact O-N 2.98Å; G149-I175 PolarHBondContact N-O 3.03Å
150K95.6Very high94.6Very high64 Ų6451.2 Ų51.228%0.27827%0.272SS..EExtended strand (participates in β ladder)trans56.7115.4-175.4177.3172.1172-162.90114L102 Q125 K173 Q174 L296L102-K150 HydrophobicContact CD1-CD 4.36Å; Q125-K150 PolarHBondContact O-N 3.5Å; Q125-K150 VanDerWaalsContact O-N 3.07Å; K150-K173 CarbonylContact O-C 3.59Å; K150-K173 WeakPolarHBondContact O-CA 3.19Å; K150-Q174 HydrophobicContact CB-CB 4.39Å; K150-Q174 VanDerWaalsContact CD-OE1 3.22Å; K150-Q174 VanDerWaalsContact CE-OE1 3.22Å; K150-Q174 HydrophobicContact CG-CB 4.47Å; K150-Q174 PolarHBondContact O-N 3.22Å; K150-L296 HydrophobicContact CB-CD1 4.12Å; K150-L296 HydrophobicContact CB-CD2 3.83Å; K150-L296 HydrophobicContact CD-CD1 4.33Å; K150-L296 HydrophobicContact CD-CD2 4.34Å
151T96.7Very high95.2Very high35 Ų3552.9 Ų52.922%0.21526%0.261CS..EExtended strand (participates in β ladder)trans-67.8140.6176.3-57.40000111.4D126 P171 P172 K173D126-T151 WeakPolarHBondContact CB-OG1 3.4Å; D126-T151 WeakPolarHBondContact OD2-CB 3.42Å; D126-T151 PolarHBondContact OD2-OG1 3.44Å; T151-P171 HydrophobicContact CG2-CB 3.68Å; T151-P171 HydrophobicContact CG2-CG 3.74Å; T151-P172 WeakPolarHBondContact CA-O 3.21Å; T151-K173 PolarHBondContact OG1-NZ 3.32Å
152V96.1Very high95.5Very high28 Ų2846.9 Ų46.917%0.1724%0.237CC..  trans-131.8156.2179.3-70.10000110.6R154 P172 Q174V152-R154 PolarHBondContact O-N 3.33Å; V152-P172 HydrophobicContact CG2-CB 4.17Å; V152-P172 WeakPolarHBondContact CG2-O 3.36Å; V152-P172 PolarHBondContact N-O 3.39Å; V152-Q174 HydrophobicContact CG1-CB 3.5Å; V152-Q174 HydrophobicContact CG1-CG 3.92Å
153S95.2Very high95.7Very high47 Ų4748.9 Ų48.933%0.32925%0.245SC..  trans-57.9134.9176174.20000111.7F155S153-F155 VanDerWaalsContact C-N 3.33Å; S153-F155 WeakPolarHBondContact OG-CD2 3.45Å; S153-F155 PolarHBondContact OG-N 3.3Å
154R94.5Very high95.8Very high49 Ų4952.3 Ų52.319%0.18526%0.26CS..G310 helixtrans-69.6-27.9177.258.1-175.667.5-157.51112.9V65 E68 N69 V152 Y156 K157 L162 P172V65-R154 HydrophobicContact CG1-CG 4.18Å; E68-R154 IonicContact OE1-CZ 3.98Å; E68-R154 IonicContact OE1-NH1 2.89Å; E68-R154 PolarHBondContact OE1-NH1 2.72Å; E68-R154 IonicContact OE1-NH2 3.24Å; E68-R154 PolarHBondContact OE1-NH2 2.8Å; E68-R154 IonicContact OE2-CZ 3.74Å; E68-R154 IonicContact OE2-NH1 2.86Å; E68-R154 PolarHBondContact OE2-NH1 2.89Å; E68-R154 IonicContact OE2-NH2 3.22Å; N69-R154 PolarHBondContact OD1-NH2 3.2Å; V152-R154 PolarHBondContact O-N 3.33Å; R154-Y156 PolarHBondContact O-N 3.12Å; R154-Y156 VanDerWaalsContact O-N 3.08Å; R154-K157 PolarHBondContact O-N 2.68Å; R154-K157 VanDerWaalsContact O-N 3.16Å; R154-L162 HydrophobicContact CB-CD2 3.73Å; R154-P172 HydrophobicContact CB-CG 4.06Å
155F94.1Very high95.8Very high65 Ų6552.5 Ų52.529%0.28526%0.26SS..G310 helixtrans-62.9-20-174.9-57-57.6000115.3W49 V61 V65 S153W49-F155 HydrophobicContact CB-CB 3.99Å; W49-F155 HydrophobicContact CB-CD1 3.81Å; W49-F155 HydrophobicContact CB-CG 4.06Å; W49-F155 AromaticContact CD1-CG 3.96Å; W49-F155 HydrophobicContact CD2-CB 4.14Å; W49-F155 AromaticContact CD2-CD1 3.86Å; W49-F155 HydrophobicContact CD2-CD1 3.86Å; W49-F155 AromaticContact CD2-CD2 3.78Å; W49-F155 HydrophobicContact CD2-CD2 3.78Å; W49-F155 HydrophobicContact CD2-CE1 4.17Å; W49-F155 HydrophobicContact CD2-CE2 4.11Å; W49-F155 AromaticContact CD2-CG 3.66Å; W49-F155 HydrophobicContact CD2-CG 3.66Å; W49-F155 HydrophobicContact CD2-CZ 4.29Å; W49-F155 AromaticContact CE2-CD2 3.86Å; W49-F155 HydrophobicContact CE3-CD1 4.01Å; W49-F155 HydrophobicContact CE3-CD2 4.14Å; W49-F155 AromaticContact CE3-CE1 3.83Å; W49-F155 HydrophobicContact CE3-CE1 3.83Å; W49-F155 AromaticContact CE3-CE2 4Å; W49-F155 HydrophobicContact CE3-CE2 4Å; W49-F155 HydrophobicContact CE3-CG 4.17Å; W49-F155 AromaticContact CE3-CZ 3.83Å; W49-F155 HydrophobicContact CE3-CZ 3.83Å; W49-F155 HydrophobicContact CG-CB 3.57Å; W49-F155 AromaticContact CG-CD1 3.77Å; W49-F155 HydrophobicContact CG-CD1 3.77Å; W49-F155 HydrophobicContact CG-CD2 4.15Å; W49-F155 HydrophobicContact CG-CE1 4.49Å; W49-F155 AromaticContact CG-CG 3.57Å; W49-F155 HydrophobicContact CG-CG 3.57Å; W49-F155 HydrophobicContact CH2-CE2 4.28Å; W49-F155 HydrophobicContact CZ2-CD2 4.3Å; W49-F155 HydrophobicContact CZ2-CE2 4.39Å; W49-F155 HydrophobicContact CZ3-CE1 4.48Å; W49-F155 HydrophobicContact CZ3-CE2 4.08Å; W49-F155 HydrophobicContact CZ3-CZ 4.04Å; V61-F155 HydrophobicContact CG1-CE1 4.32Å; V61-F155 HydrophobicContact CG1-CZ 3.84Å; V65-F155 HydrophobicContact CB-CZ 4.42Å; V65-F155 HydrophobicContact CG2-CE1 4.41Å; V65-F155 HydrophobicContact CG2-CZ 3.75Å; S153-F155 VanDerWaalsContact C-N 3.33Å; S153-F155 WeakPolarHBondContact OG-CD2 3.45Å; S153-F155 PolarHBondContact OG-N 3.3Å
156Y94.1Very high95.8Very high166 Ų16660.6 Ų60.665%0.65129%0.291SS*.G310 helixtrans-108.515.1-177.3-55.6-77.7000112.8R154R154-Y156 PolarHBondContact O-N 3.12Å; R154-Y156 VanDerWaalsContact O-N 3.08Å
157K95Very high95.7Very high48 Ų4866.4 Ų66.421%0.20932%0.322CS..SBendtrans-107.8147.1-178.4-60.8-52.6-179.8-164.90110.5R154 L162 P172R154-K157 PolarHBondContact O-N 2.68Å; R154-K157 VanDerWaalsContact O-N 3.16Å; K157-L162 HydrophobicContact CB-CD2 3.89Å; K157-L162 HydrophobicContact CB-CG 4.21Å; K157-P172 HydrophobicContact CG-CB 4.21Å
158P95.8Very high95.5Very high71 Ų7167.8 Ų67.846%0.46133%0.329SS..  trans-67.4150175.329.8-35.1000110.5S160 R161 L162P158-S160 VanDerWaalsContact C-N 3.3Å; P158-S160 PolarHBondContact O-N 2.95Å; P158-R161 HydrophobicContact CG-CB 3.95Å; P158-R161 WeakPolarHBondContact O-CB 3.34Å; P158-R161 PolarHBondContact O-N 3.15Å; P158-L162 PolarHBondContact O-N 3.39Å
159D94.4Very high95.4Very high119 Ų11968.8 Ų68.864%0.63634%0.34SS*.Hα-helixtrans-55.1-42.6-175.9-60.2-26.9000112.7R161 L162 E163D159-R161 PolarHBondContact O-N 3.45Å; D159-R161 VanDerWaalsContact O-N 3.12Å; D159-L162 CarbonylContact O-C 3.57Å; D159-L162 WeakPolarHBondContact O-CA 3.35Å; D159-L162 WeakPolarHBondContact O-CB 3.37Å; D159-L162 PolarHBondContact O-N 3.4Å; D159-E163 WeakPolarHBondContact O-CG 3.28Å; D159-E163 PolarHBondContact O-N 3.02Å
160S96Very high95.4Very high85 Ų8568.9 Ų68.959%0.59434%0.34SS*.Hα-helixtrans-58.2-30.3177.160.40000113.9P158 F164P158-S160 VanDerWaalsContact C-N 3.3Å; P158-S160 PolarHBondContact O-N 2.95Å; S160-F164 PolarHBondContact O-N 3.49Å
161R94.5Very high95.5Very high91 Ų9165.9 Ų65.934%0.34333%0.327SS..Hα-helixtrans-77.5-37.6173.5-177.2170.7-66.3166.45.1110.7P158 D159 F164 Y165P158-R161 HydrophobicContact CG-CB 3.95Å; P158-R161 WeakPolarHBondContact O-CB 3.34Å; P158-R161 PolarHBondContact O-N 3.15Å; D159-R161 PolarHBondContact O-N 3.45Å; D159-R161 VanDerWaalsContact O-N 3.12Å; R161-F164 PolarHBondContact O-N 2.86Å; R161-Y165 HydrophobicContact CG-CD2 3.74Å; R161-Y165 HydrophobicContact CG-CE2 3.74Å; R161-Y165 WeakPolarHBondContact O-CD2 3.44Å; R161-Y165 PolarHBondContact O-N 2.83Å; R161-Y165 VanDerWaalsContact O-N 3.14Å
162L95Very high95.5Very high51 Ų5164.3 Ų64.327%0.26732%0.317SS..Hα-helixtrans-65.4-42.3177.9-63.8180000111.6R154 K157 P158 D159 Y165 R166 P172R154-L162 HydrophobicContact CB-CD2 3.73Å; K157-L162 HydrophobicContact CB-CD2 3.89Å; K157-L162 HydrophobicContact CB-CG 4.21Å; P158-L162 PolarHBondContact O-N 3.39Å; D159-L162 CarbonylContact O-C 3.57Å; D159-L162 WeakPolarHBondContact O-CA 3.35Å; D159-L162 WeakPolarHBondContact O-CB 3.37Å; D159-L162 PolarHBondContact O-N 3.4Å; L162-Y165 PolarHBondContact O-N 2.92Å; L162-R166 WeakPolarHBondContact O-CB 3.39Å; L162-R166 PolarHBondContact O-N 2.92Å; L162-P172 HydrophobicContact CD2-CG 3.84Å
163E96.6Very high95.5Very high97 Ų9763 Ų6345%0.45331%0.309SS..Hα-helixtrans-56.7-50.9174-69.1174.9166.700111.2D159 Y165 R166 D167D159-E163 WeakPolarHBondContact O-CG 3.28Å; D159-E163 PolarHBondContact O-N 3.02Å; E163-Y165 VanDerWaalsContact C-N 3.27Å; E163-Y165 PolarHBondContact O-N 2.97Å; E163-R166 WeakPolarHBondContact O-CB 3.49Å; E163-R166 PolarHBondContact O-N 3.18Å; E163-R166 VanDerWaalsContact O-N 3.13Å; E163-D167 VanDerWaalsContact O-CG 3.29Å; E163-D167 PolarHBondContact O-N 2.79Å
164F96.7Very high95.6Very high73 Ų7364.6 Ų64.632%0.3231%0.312SS..Hα-helixtrans-54.7-41.3175.9173.5-95.7000113.1L130 K131 S160 R161 L168L130-F164 HydrophobicContact CB-CE1 4.13Å; L130-F164 HydrophobicContact CB-CZ 4.03Å; K131-F164 HydrophobicContact CB-CZ 4.4Å; S160-F164 PolarHBondContact O-N 3.49Å; R161-F164 PolarHBondContact O-N 2.86Å; F164-L168 HydrophobicContact CE1-CD2 4.38Å; F164-L168 PolarHBondContact O-N 2.89Å
165Y97Very high95.6Very high4 Ų464.7 Ų64.72%0.01632%0.315CS..Hα-helixtrans-75.6-32.7179.7-88.3-67000113.4L130 R161 L162 E163 L168 G169 L170 P171 P172 K173 H176L130-Y165 WeakPolarHBondContact CD1-OH 3.34Å; L130-Y165 HydrophobicContact CD2-CE1 3.74Å; R161-Y165 HydrophobicContact CG-CD2 3.74Å; R161-Y165 HydrophobicContact CG-CE2 3.74Å; R161-Y165 WeakPolarHBondContact O-CD2 3.44Å; R161-Y165 PolarHBondContact O-N 2.83Å; R161-Y165 VanDerWaalsContact O-N 3.14Å; L162-Y165 PolarHBondContact O-N 2.92Å; E163-Y165 VanDerWaalsContact C-N 3.27Å; E163-Y165 PolarHBondContact O-N 2.97Å; Y165-L168 PolarHBondContact O-N 2.94Å; Y165-G169 PolarHBondContact O-N 3.04Å; Y165-L170 WeakPolarHBondContact CB-O 3.44Å; Y165-L170 HydrophobicContact CD1-CB 4.19Å; Y165-L170 VanDerWaalsContact CD1-O 3.27Å; Y165-L170 WeakPolarHBondContact CD1-O 3.36Å; Y165-L170 PolarHBondContact O-N 2.87Å; Y165-P171 WeakPolarHBondContact CE1-O 3.25Å; Y165-P172 HydrophobicContact CD2-CB 3.83Å; Y165-P172 HydrophobicContact CD2-CG 4.04Å; Y165-P172 HydrophobicContact CE2-CB 3.98Å; Y165-P172 HydrophobicContact CG-CB 4.3Å; Y165-P172 HydrophobicContact CG-CG 4.21Å; Y165-K173 HydrophobicContact CE1-CG 4.05Å; Y165-K173 VanDerWaalsContact OH-CB 3.29Å; Y165-K173 WeakPolarHBondContact OH-CB 3.27Å; Y165-K173 WeakPolarHBondContact OH-CG 3.47Å; Y165-K173 PolarHBondContact OH-N 2.77Å; Y165-K173 VanDerWaalsContact OH-N 3.16Å; Y165-H176 AromaticContact CE2-NE2 3.94Å; Y165-H176 AromaticContact CZ-NE2 3.8Å; Y165-H176 PolarHBondContact OH-CE1 2.81Å; Y165-H176 PolarHBondContact OH-NE2 3.33Å
166R95.1Very high95.7Very high171 Ų17164.6 Ų64.665%0.64532%0.315SS*.Hα-helixtrans-62.7-46173.8-178.4-179.364.9-158.3-3.1110.6L162 E163 L168 G169L162-R166 WeakPolarHBondContact O-CB 3.39Å; L162-R166 PolarHBondContact O-N 2.92Å; E163-R166 WeakPolarHBondContact O-CB 3.49Å; E163-R166 PolarHBondContact O-N 3.18Å; E163-R166 VanDerWaalsContact O-N 3.13Å; R166-L168 VanDerWaalsContact C-N 3.27Å; R166-L168 PolarHBondContact O-N 2.85Å; R166-G169 PolarHBondContact O-N 2.87Å
167D95.7Very high95.9Very high130 Ų13059.8 Ų59.870%0.69530%0.298SS*.Hα-helixtrans-66.1-32.3179.7-60.6-12.2000111.8E163E163-D167 VanDerWaalsContact O-CG 3.29Å; E163-D167 PolarHBondContact O-N 2.79Å
168L94.8Very high96Very high29 Ų2961.1 Ų61.115%0.15231%0.307CS..Hα-helixtrans-79.7-20.7176.7-168.663.5000113.4L130 F164 Y165 R166 L170 P189L130-L168 HydrophobicContact CB-CD2 4.35Å; L130-L168 HydrophobicContact CD2-CD2 3.78Å; F164-L168 HydrophobicContact CE1-CD2 4.38Å; F164-L168 PolarHBondContact O-N 2.89Å; Y165-L168 PolarHBondContact O-N 2.94Å; R166-L168 VanDerWaalsContact C-N 3.27Å; R166-L168 PolarHBondContact O-N 2.85Å; L168-L170 HydrophobicContact CD2-CB 4.39Å; L168-L170 HydrophobicContact CD2-CD1 3.81Å; L168-L170 HydrophobicContact CD2-CG 4.48Å; L168-L170 HydrophobicContact CG-CB 4.48Å; L168-L170 HydrophobicContact CG-CD1 4.1Å; L168-L170 HydrophobicContact CG-CG 4.4Å; L168-P189 HydrophobicContact CD1-CB 3.93Å
169G94.9Very high96Very high22 Ų2258 Ų5823%0.22729%0.286CS..THydrogen-bonded Turntrans70.833.3-174.900000113.8Y165 R166Y165-G169 PolarHBondContact O-N 3.04Å; R166-G169 PolarHBondContact O-N 2.87Å
170L95.8Very high96.1Very high2 Ų257 Ų571%0.0128%0.277CS..  trans-128.6150.5179.4-79.6176.7000111.4L73 K76 H128 Y165 L168L73-L170 HydrophobicContact CD2-CD2 4.29Å; K76-L170 HydrophobicContact CB-CD2 4.32Å; K76-L170 HydrophobicContact CG-CD2 3.84Å; K76-L170 HydrophobicContact CG-CG 4.41Å; H128-L170 HydrophobicContact CB-CD1 3.7Å; Y165-L170 WeakPolarHBondContact CB-O 3.44Å; Y165-L170 HydrophobicContact CD1-CB 4.19Å; Y165-L170 VanDerWaalsContact CD1-O 3.27Å; Y165-L170 WeakPolarHBondContact CD1-O 3.36Å; Y165-L170 PolarHBondContact O-N 2.87Å; L168-L170 HydrophobicContact CD2-CB 4.39Å; L168-L170 HydrophobicContact CD2-CD1 3.81Å; L168-L170 HydrophobicContact CD2-CG 4.48Å; L168-L170 HydrophobicContact CG-CB 4.48Å; L168-L170 HydrophobicContact CG-CD1 4.1Å; L168-L170 HydrophobicContact CG-CG 4.4Å
171P96.4Very high96.1Very high0 Ų053 Ų530%025%0.249CC..  trans-72.6151173.632.1-37.2000111.3N69 L73 T151 Y165 K173N69-P171 HydrophobicContact CB-CB 4.4Å; N69-P171 WeakPolarHBondContact OD1-CB 3.37Å; L73-P171 HydrophobicContact CD1-CG 4.37Å; L73-P171 HydrophobicContact CD2-CG 3.83Å; L73-P171 HydrophobicContact CG-CG 4Å; T151-P171 HydrophobicContact CG2-CB 3.68Å; T151-P171 HydrophobicContact CG2-CG 3.74Å; Y165-P171 WeakPolarHBondContact CE1-O 3.25Å; P171-K173 VanDerWaalsContact O-CE 3.3Å; P171-K173 WeakPolarHBondContact O-CE 3.45Å
172P97.3Very high96.1Very high2 Ų249.8 Ų49.81%0.01324%0.24CC..  trans-58.8141.9-177.3-2635.3000113.6T151 V152 R154 K157 L162 Y165T151-P172 WeakPolarHBondContact CA-O 3.21Å; V152-P172 HydrophobicContact CG2-CB 4.17Å; V152-P172 WeakPolarHBondContact CG2-O 3.36Å; V152-P172 PolarHBondContact N-O 3.39Å; R154-P172 HydrophobicContact CB-CG 4.06Å; K157-P172 HydrophobicContact CG-CB 4.21Å; L162-P172 HydrophobicContact CD2-CG 3.84Å; Y165-P172 HydrophobicContact CD2-CB 3.83Å; Y165-P172 HydrophobicContact CD2-CG 4.04Å; Y165-P172 HydrophobicContact CE2-CB 3.98Å; Y165-P172 HydrophobicContact CG-CB 4.3Å; Y165-P172 HydrophobicContact CG-CG 4.21Å
173K97.2Very high96Very high0 Ų050.8 Ų50.80%025%0.245CC..EExtended strand (participates in β ladder)trans-104.1153.9179.2-50.7-62.1175177.10112.1D126 L130 K150 T151 Y165 P171D126-K173 VanDerWaalsContact CB-NZ 3.29Å; D126-K173 PolarHBondContact O-NZ 2.87Å; L130-K173 HydrophobicContact CD2-CG 4.47Å; K150-K173 CarbonylContact O-C 3.59Å; K150-K173 WeakPolarHBondContact O-CA 3.19Å; T151-K173 PolarHBondContact OG1-NZ 3.32Å; Y165-K173 HydrophobicContact CE1-CG 4.05Å; Y165-K173 VanDerWaalsContact OH-CB 3.29Å; Y165-K173 WeakPolarHBondContact OH-CB 3.27Å; Y165-K173 WeakPolarHBondContact OH-CG 3.47Å; Y165-K173 PolarHBondContact OH-N 2.77Å; Y165-K173 VanDerWaalsContact OH-N 3.16Å; P171-K173 VanDerWaalsContact O-CE 3.3Å; P171-K173 WeakPolarHBondContact O-CE 3.45Å
174Q96.3Very high95.9Very high82 Ų8247.1 Ų47.138%0.38323%0.229SC..EExtended strand (participates in β ladder)trans-71.7-46.9-175.9-168.7175.9-24.700112G149 K150 V152 L296G149-Q174 PolarHBondContact O-N 2.98Å; K150-Q174 HydrophobicContact CB-CB 4.39Å; K150-Q174 VanDerWaalsContact CD-OE1 3.22Å; K150-Q174 VanDerWaalsContact CE-OE1 3.22Å; K150-Q174 HydrophobicContact CG-CB 4.47Å; K150-Q174 PolarHBondContact O-N 3.22Å; V152-Q174 HydrophobicContact CG1-CB 3.5Å; V152-Q174 HydrophobicContact CG1-CG 3.92Å; Q174-L296 HydrophobicContact CB-CD1 3.73Å; Q174-L296 HydrophobicContact CG-CD1 3.97Å
175I95.6Very high95.7Very high50 Ų5043.7 Ų43.726%0.25621%0.214SC..EExtended strand (participates in β ladder)trans-130.5136.9-175.8-66.2-172.1000109G148 G149 K177 L296G148-I175 WeakPolarHBondContact CA-O 3.31Å; G149-I175 PolarHBondContact N-O 3.03Å; I175-K177 HydrophobicContact CG2-CD 4.12Å; I175-K177 HydrophobicContact CG2-CG 3.98Å; I175-L296 HydrophobicContact CB-CD1 4.02Å; I175-L296 HydrophobicContact CD1-CB 3.65Å; I175-L296 HydrophobicContact CD1-CD1 3.68Å; I175-L296 HydrophobicContact CD1-CG 4.31Å; I175-L296 HydrophobicContact CG1-CB 4.46Å; I175-L296 HydrophobicContact CG1-CD1 3.64Å
176H96.2Very high95.6Very high63 Ų6344.4 Ų44.429%0.29222%0.218SC..EExtended strand (participates in β ladder)trans-108.5137.2169.1-47.8168.3000108.5L130 T146 V147 Y165L130-H176 HydrophobicContact CD1-CB 4.33Å; T146-H176 HydrophobicContact CG2-CB 3.97Å; V147-H176 CarbonylContact O-C 3.51Å; V147-H176 VanDerWaalsContact O-CA 3.31Å; V147-H176 WeakPolarHBondContact O-CA 3.39Å; Y165-H176 AromaticContact CE2-NE2 3.94Å; Y165-H176 AromaticContact CZ-NE2 3.8Å; Y165-H176 PolarHBondContact OH-CE1 2.81Å; Y165-H176 PolarHBondContact OH-NE2 3.33Å
177K97.4Very high95.6Very high65 Ų6536.5 Ų36.528%0.28319%0.189SC..EExtended strand (participates in β ladder)trans-129.6138.2173.1-64.9-63.5-179.7-170.60109.8I100 V147 I175 F179 K298I100-K177 HydrophobicContact CD1-CB 3.9Å; I100-K177 HydrophobicContact CD1-CG 3.83Å; I100-K177 HydrophobicContact CG1-CB 4.31Å; I100-K177 HydrophobicContact CG1-CG 4.2Å; V147-K177 PolarHBondContact N-O 3.42Å; V147-K177 PolarHBondContact O-N 3.5Å; I175-K177 HydrophobicContact CG2-CD 4.12Å; I175-K177 HydrophobicContact CG2-CG 3.98Å; K177-F179 HydrophobicContact CB-CE2 3.97Å; K177-F179 HydrophobicContact CB-CZ 4.46Å; K177-K298 HydrophobicContact CB-CD 4.1Å; K177-K298 HydrophobicContact CB-CG 4.26Å; K177-K298 HydrophobicContact CD-CD 4.39Å; K177-K298 HydrophobicContact CG-CB 4.21Å; K177-K298 HydrophobicContact CG-CD 4.24Å; K177-K298 HydrophobicContact CG-CG 4.24Å
178I97Very high95.6Very high76 Ų7632.3 Ų32.339%0.3917%0.165SC..EExtended strand (participates in β ladder)trans-88.2132.2174.3-58.9171000108.2A144 L145 K298A144-I178 HydrophobicContact CB-CG2 3.64Å; L145-I178 CarbonylContact O-C 3.56Å; L145-I178 WeakPolarHBondContact O-CA 3.31Å; I178-K298 PolarHBondContact O-NZ 2.91Å
179F97Very high95.6Very high5 Ų532.7 Ų32.72%0.02217%0.169CC..EExtended strand (participates in β ladder)trans-113.6135.4171.2-67-90.6000108.3I100 A144 L145 V147 K177 V181 K298 I299 K300I100-F179 HydrophobicContact CG1-CE2 4.5Å; A144-F179 WeakPolarHBondContact CA-O 3.48Å; L145-F179 PolarHBondContact N-O 3.05Å; L145-F179 PolarHBondContact O-N 2.98Å; V147-F179 HydrophobicContact CB-CD2 4Å; V147-F179 HydrophobicContact CB-CE2 3.8Å; V147-F179 HydrophobicContact CG1-CE2 4.46Å; V147-F179 HydrophobicContact CG2-CD2 3.7Å; V147-F179 HydrophobicContact CG2-CE2 3.92Å; K177-F179 HydrophobicContact CB-CE2 3.97Å; K177-F179 HydrophobicContact CB-CZ 4.46Å; F179-V181 HydrophobicContact CB-CG2 4.15Å; F179-K298 VanDerWaalsContact CD1-CE 3.44Å; F179-K298 HydrophobicContact CE1-CD 4.04Å; F179-K298 HydrophobicContact CE1-CG 3.61Å; F179-K298 HydrophobicContact CE2-CG 4.4Å; F179-K298 HydrophobicContact CZ-CD 4.12Å; F179-K298 HydrophobicContact CZ-CG 3.47Å; F179-K298 VanDerWaalsContact CZ-CG 3.47Å; F179-I299 VanDerWaalsContact CE1-O 3.32Å; F179-I299 WeakPolarHBondContact CE1-O 3.27Å; F179-K300 HydrophobicContact CD1-CB 4.33Å; F179-K300 HydrophobicContact CE1-CB 4.13Å
180H95.5Very high95.6Very high99 Ų9931.9 Ų31.946%0.45816%0.161SC..EExtended strand (participates in β ladder)trans-87.1127.4173.9-58.5167.4000107.5H138 I142 A143H138-H180 AromaticContact CE1-CD2 3.66Å; H138-H180 AromaticContact CE1-NE2 3.53Å; I142-H180 HydrophobicContact CB-CB 4.46Å; I142-H180 HydrophobicContact CG2-CB 3.85Å; A143-H180 WeakPolarHBondContact O-CA 3.47Å
181V95.3Very high95.6Very high0 Ų032.4 Ų32.40%016%0.164CC..EExtended strand (participates in β ladder)trans-137.1142.5-167.4178.70000108.5F95 I142 A143 L145 F179 A185F95-V181 WeakPolarHBondContact O-CA 3.46Å; F95-V181 WeakPolarHBondContact O-CG1 3.34Å; I142-V181 WeakPolarHBondContact CG2-O 3.25Å; A143-V181 PolarHBondContact N-O 2.74Å; A143-V181 PolarHBondContact O-N 2.84Å; L145-V181 HydrophobicContact CB-CG2 4.19Å; L145-V181 HydrophobicContact CD1-CB 4.37Å; L145-V181 HydrophobicContact CD1-CG1 4.08Å; L145-V181 HydrophobicContact CD1-CG2 4.03Å; L145-V181 HydrophobicContact CG-CB 4.41Å; L145-V181 HydrophobicContact CG-CG2 4.18Å; F179-V181 HydrophobicContact CB-CG2 4.15Å; V181-A185 HydrophobicContact CG1-CB 3.45Å; V181-A185 VanDerWaalsContact CG1-CB 3.45Å; V181-A185 WeakPolarHBondContact CG1-O 3.26Å
182T94.4Very high95.6Very high25 Ų2532.7 Ų32.715%0.15317%0.166CC..  trans-77158.6174.746.50000111S94 F95 N184 A185S94-T182 WeakPolarHBondContact CA-OG1 3.47Å; F95-T182 HydrophobicContact CB-CG2 4.24Å; F95-T182 HydrophobicContact CD2-CG2 3.84Å; F95-T182 HydrophobicContact CG-CG2 4.46Å; F95-T182 PolarHBondContact N-OG1 3.22Å; F95-T182 PolarHBondContact O-N 2.81Å; F95-T182 VanDerWaalsContact O-N 3.07Å; F95-T182 PolarHBondContact O-OG1 2.96Å; T182-N184 WeakPolarHBondContact CB-OD1 3.12Å; T182-N184 PolarHBondContact O-N 2.87Å; T182-N184 PolarHBondContact OG1-OD1 2.85Å; T182-A185 PolarHBondContact O-N 2.66Å
183D93.3Very high95.5Very high72 Ų7232.8 Ų32.839%0.38517%0.166SC..G310 helixtrans-64-29.3-172.1-63.9-14.2000113K135 A185 V186K135-D183 WeakPolarHBondContact CD-OD1 3.44Å; K135-D183 WeakPolarHBondContact CD-OD2 3.12Å; K135-D183 WeakPolarHBondContact CE-OD1 3.43Å; K135-D183 WeakPolarHBondContact CE-OD2 3.01Å; K135-D183 IonicContact NZ-OD1 3.68Å; K135-D183 PolarHBondContact NZ-OD1 2.92Å; K135-D183 IonicContact NZ-OD2 3.13Å; K135-D183 PolarHBondContact NZ-OD2 3.29Å; D183-A185 PolarHBondContact O-N 2.86Å; D183-V186 VanDerWaalsContact O-CG2 3.22Å; D183-V186 WeakPolarHBondContact O-CG2 3.37Å
184N94.1Very high95.5Very high20 Ų2034.9 Ų34.911%0.10717%0.174CC..G310 helixtrans-73.5-12.6174.665.3-28.9000113.9H88 S94 T182 F316H88-N184 HydrophobicContact CB-CB 3.74Å; S94-N184 PolarHBondContact OG-ND2 2.82Å; T182-N184 WeakPolarHBondContact CB-OD1 3.12Å; T182-N184 PolarHBondContact O-N 2.87Å; T182-N184 PolarHBondContact OG1-OD1 2.85Å; N184-F316 HydrophobicContact CB-CE1 4.42Å; N184-F316 HydrophobicContact CB-CZ 4.34Å; N184-F316 WeakPolarHBondContact ND2-CZ 3.5Å; N184-F316 VanDerWaalsContact O-CE1 3.3Å; N184-F316 WeakPolarHBondContact O-CE1 3.34Å
185A94.2Very high95.6Very high0 Ų031 Ų310%016%0.156CC..G310 helixtrans-106.916.1-177.300000113.2F95 R96 V181 T182 D183 F316F95-A185 VanDerWaalsContact O-CB 3.28Å; F95-A185 WeakPolarHBondContact O-CB 3.41Å; R96-A185 HydrophobicContact CB-CB 4.44Å; V181-A185 HydrophobicContact CG1-CB 3.45Å; V181-A185 VanDerWaalsContact CG1-CB 3.45Å; V181-A185 WeakPolarHBondContact CG1-O 3.26Å; T182-A185 PolarHBondContact O-N 2.66Å; D183-A185 PolarHBondContact O-N 2.86Å; A185-F316 HydrophobicContact CB-CE1 4.48Å; A185-F316 HydrophobicContact CB-CE2 3.55Å; A185-F316 HydrophobicContact CB-CZ 3.47Å; A185-F316 VanDerWaalsContact CB-CZ 3.47Å
186V94.5Very high95.6Very high19 Ų1928.7 Ų28.712%0.11515%0.145CC..  trans-74.6139.4-176.1-1800000110.6W85 Y132 D183W85-V186 HydrophobicContact CE3-CG1 3.63Å; W85-V186 HydrophobicContact CZ3-CG1 3.39Å; Y132-V186 HydrophobicContact CD1-CG1 4.39Å; Y132-V186 HydrophobicContact CD2-CG1 3.53Å; Y132-V186 HydrophobicContact CD2-CG2 4.26Å; Y132-V186 HydrophobicContact CE1-CG1 4.37Å; Y132-V186 HydrophobicContact CE2-CB 4.2Å; Y132-V186 HydrophobicContact CE2-CG1 3.49Å; Y132-V186 VanDerWaalsContact CE2-CG1 3.49Å; Y132-V186 HydrophobicContact CE2-CG2 3.51Å; Y132-V186 HydrophobicContact CG-CG1 3.99Å; D183-V186 VanDerWaalsContact O-CG2 3.22Å; D183-V186 WeakPolarHBondContact O-CG2 3.37Å
187I94.6Very high95.6Very high6 Ų625.7 Ų25.73%0.03113%0.131CC..  trans-125.2139.4-178-58171.6000108.7V97 V129 L145 T191 L193 P317 T318V97-I187 HydrophobicContact CB-CD1 4.17Å; V97-I187 HydrophobicContact CG1-CD1 3.6Å; V129-I187 HydrophobicContact CG2-CB 4.31Å; V129-I187 HydrophobicContact CG2-CG2 4.05Å; L145-I187 HydrophobicContact CD1-CB 4.26Å; L145-I187 HydrophobicContact CD1-CG1 4.43Å; I187-T191 HydrophobicContact CG2-CG2 3.67Å; I187-L193 HydrophobicContact CD1-CD2 4.28Å; I187-P317 HydrophobicContact CD1-CB 4.19Å; I187-P317 HydrophobicContact CG1-CB 3.9Å; I187-P317 HydrophobicContact CG1-CG 4.14Å; I187-T318 HydrophobicContact CD1-CG2 3.81Å
188K94.8Very high95.6Very high41 Ų4122.6 Ų22.618%0.17812%0.117CC..  trans-57.9136176.6-174.5177.6174.2-178.90110.8D82 E83 W85 T191D82-K188 PolarHBondContact O-NZ 3Å; D82-K188 IonicContact OD1-NZ 2.81Å; D82-K188 PolarHBondContact OD1-NZ 3.25Å; E83-K188 VanDerWaalsContact O-CD 3.31Å; E83-K188 WeakPolarHBondContact O-CD 3.46Å; E83-K188 PolarHBondContact O-NZ 3.44Å; W85-K188 HydrophobicContact CD2-CB 4.04Å; W85-K188 HydrophobicContact CG-CB 4.07Å; K188-T191 WeakPolarHBondContact O-CB 3.49Å; K188-T191 PolarHBondContact O-N 3.34Å; K188-T191 PolarHBondContact O-OG1 2.81Å
189P95.6Very high95.6Very high38 Ų3822 Ų2225%0.24711%0.11CC..THydrogen-bonded Turntrans-56.7140.7170-26.536.3000112.2L168L168-P189 HydrophobicContact CD1-CB 3.93Å
190G94.7Very high95.6Very high5 Ų523.3 Ų23.35%0.05212%0.119CC..THydrogen-bonded Turntrans97.2-16.9-176.200000114.3V129V129-G190 PolarHBondContact O-N 3.26Å
191T95.5Very high95.6Very high12 Ų1219.8 Ų19.87%0.07411%0.11CC..  trans-64.1130.1179.9-59.80000112P79 H128 V129 I187 K188 F320P79-T191 HydrophobicContact CB-CG2 3.78Å; P79-T191 HydrophobicContact CG-CG2 4.1Å; H128-T191 WeakPolarHBondContact CA-O 3.22Å; V129-T191 PolarHBondContact N-O 3.32Å; I187-T191 HydrophobicContact CG2-CG2 3.67Å; K188-T191 WeakPolarHBondContact O-CB 3.49Å; K188-T191 PolarHBondContact O-N 3.34Å; K188-T191 PolarHBondContact O-OG1 2.81Å; T191-F320 HydrophobicContact CG2-CE1 3.97Å
192P96.2Very high95.6Very high6 Ų620.2 Ų20.24%0.03911%0.112CC..EExtended strand (participates in β ladder)trans-73.9148.3174.131.6-35.5000111.2K76 P79 Y194K76-P192 WeakPolarHBondContact O-CD 3.39Å; K76-P192 WeakPolarHBondContact O-CG 3Å; P79-P192 HydrophobicContact CG-CG 4.26Å; P192-Y194 HydrophobicContact CB-CE2 4.18Å; P192-Y194 HydrophobicContact CG-CE2 4.07Å
193L96.9Very high95.8Very high4 Ų422.1 Ų22.12%0.02112%0.117CC..EExtended strand (participates in β ladder)trans-123.8129.7177.9-60174.7000110.1V97 L99 C127 V129 V147 I187 T318V97-L193 HydrophobicContact CG1-CD1 4.2Å; V97-L193 HydrophobicContact CG1-CD2 4.12Å; V97-L193 HydrophobicContact CG2-CD1 4.19Å; L99-L193 HydrophobicContact CD2-CB 3.44Å; L99-L193 VanDerWaalsContact CD2-CB 3.44Å; L99-L193 HydrophobicContact CD2-CD1 3.92Å; L99-L193 HydrophobicContact CD2-CG 4.25Å; C127-L193 HydrophobicContact CB-CB 4.28Å; C127-L193 PolarHBondContact O-N 2.78Å; V129-L193 HydrophobicContact CG2-CD1 4.01Å; V129-L193 HydrophobicContact CG2-CD2 4.43Å; V129-L193 HydrophobicContact CG2-CG 4.29Å; V147-L193 HydrophobicContact CG1-CD1 4.01Å; V147-L193 HydrophobicContact CG2-CD1 4.15Å; I187-L193 HydrophobicContact CD1-CD2 4.28Å; L193-T318 HydrophobicContact CD2-CG2 4.04Å; L193-T318 WeakPolarHBondContact CD2-OG1 3.44Å
194Y97.1Very high96Very high44 Ų4418.7 Ų18.717%0.17310%0.098CC..  trans-110.5166-174.9-59.5-74.3000112.6L77 L99 P192 A196 H197 P321L77-Y194 WeakPolarHBondContact CD2-OH 3.42Å; L99-Y194 WeakPolarHBondContact CD1-O 3.36Å; P192-Y194 HydrophobicContact CB-CE2 4.18Å; P192-Y194 HydrophobicContact CG-CE2 4.07Å; Y194-A196 VanDerWaalsContact C-N 3.26Å; Y194-A196 PolarHBondContact O-N 3.3Å; Y194-H197 VanDerWaalsContact O-CB 3.26Å; Y194-H197 WeakPolarHBondContact O-CB 3.39Å; Y194-H197 PolarHBondContact O-N 3.5Å; Y194-P321 HydrophobicContact CD2-CG 4.03Å; Y194-P321 HydrophobicContact CE2-CG 3.52Å
195A97.3Very high96.2Very high0 Ų017.8 Ų17.80%09%0.093CC..G310 helixtrans-63.9-30.8-179.700000113.4V124 H197 F198 V276 N281 I283V124-A195 HydrophobicContact CG2-CB 4.08Å; A195-H197 PolarHBondContact O-N 3.16Å; A195-F198 PolarHBondContact O-N 2.93Å; A195-F198 VanDerWaalsContact O-N 3.12Å; A195-V276 HydrophobicContact CB-CG1 4.09Å; A195-N281 VanDerWaalsContact CB-C 3.44Å; A195-N281 HydrophobicContact CB-CB 3.93Å; A195-N281 PolarHBondContact N-OD1 3.06Å; A195-N281 VanDerWaalsContact N-OD1 3.12Å; A195-I283 HydrophobicContact CB-CD1 4.36Å; A195-I283 HydrophobicContact CB-CG1 3.84Å
196A96.2Very high96.4Very high2 Ų217.8 Ų17.82%0.0179%0.093CC..G310 helixtrans-65.2-2.217700000114.6Y194 F198 Y319 L328Y194-A196 VanDerWaalsContact C-N 3.26Å; Y194-A196 PolarHBondContact O-N 3.3Å; A196-F198 CarbonylContact C-O 3.51Å; A196-F198 PolarHBondContact O-N 2.86Å; A196-Y319 HydrophobicContact CB-CD1 3.53Å; A196-Y319 HydrophobicContact CB-CD2 4.4Å; A196-Y319 HydrophobicContact CB-CE1 3.76Å; A196-Y319 HydrophobicContact CB-CG 3.87Å; A196-L328 HydrophobicContact CB-CD1 3.91Å
197H96.6Very high96.6Very high0 Ų018.2 Ų18.20%010%0.096CC..G310 helixtrans-56.6-37.2164.4-178.387.3000111.9R96 V97 L99 Y194 A195 T318R96-H197 PolarHBondContact NH1-O 3.4Å; R96-H197 PolarHBondContact NH2-O 2.93Å; V97-H197 PolarHBondContact O-CE1 3Å; V97-H197 PolarHBondContact O-NE2 3.39Å; L99-H197 HydrophobicContact CD1-CB 4.13Å; L99-H197 HydrophobicContact CD2-CB 4.44Å; L99-H197 HydrophobicContact CG-CB 4.48Å; Y194-H197 VanDerWaalsContact O-CB 3.26Å; Y194-H197 WeakPolarHBondContact O-CB 3.39Å; Y194-H197 PolarHBondContact O-N 3.5Å; A195-H197 PolarHBondContact O-N 3.16Å; H197-T318 PolarHBondContact ND1-OG1 3.42Å
198F97.3Very high96.7Very high0 Ų018.1 Ų18.10%010%0.096CC..SBendtrans-95145.9171.5-59.9-77000109.8L99 A195 A196 V204 I283 I299 D301L99-F198 HydrophobicContact CB-CE2 4.01Å; L99-F198 HydrophobicContact CD1-CD2 3.78Å; L99-F198 HydrophobicContact CD1-CE2 3.54Å; L99-F198 HydrophobicContact CG-CD2 4.31Å; L99-F198 HydrophobicContact CG-CE2 3.59Å; L99-F198 HydrophobicContact CG-CZ 4.39Å; A195-F198 PolarHBondContact O-N 2.93Å; A195-F198 VanDerWaalsContact O-N 3.12Å; A196-F198 CarbonylContact C-O 3.51Å; A196-F198 PolarHBondContact O-N 2.86Å; F198-V204 HydrophobicContact CD1-CG1 3.51Å; F198-V204 HydrophobicContact CE1-CG1 3.6Å; F198-V204 HydrophobicContact CG-CG1 4.28Å; F198-V204 HydrophobicContact CZ-CG1 4.4Å; F198-I283 HydrophobicContact CD2-CD1 3.6Å; F198-I283 HydrophobicContact CE2-CD1 4.14Å; F198-I299 HydrophobicContact CD2-CG2 4.48Å; F198-I299 HydrophobicContact CE1-CG2 4.2Å; F198-I299 HydrophobicContact CE2-CB 4.13Å; F198-I299 HydrophobicContact CE2-CG2 3.66Å; F198-I299 HydrophobicContact CZ-CB 4.13Å; F198-I299 HydrophobicContact CZ-CG2 3.51Å; F198-D301 VanDerWaalsContact CE1-OD1 3.29Å; F198-D301 WeakPolarHBondContact CE1-OD1 3.16Å
199R96.5Very high96.9Very high64 Ų6421.9 Ų21.924%0.24211%0.113CC..  trans-113.2151.2175.3-62.9-65.5-178.5128.7-1.4110.3Q202 L314R199-Q202 VanDerWaalsContact O-CB 3.22Å; R199-Q202 WeakPolarHBondContact O-CB 3.35Å; R199-Q202 PolarHBondContact O-N 3.22Å; R199-L314 HydrophobicContact CB-CD2 3.82Å; R199-L314 HydrophobicContact CG-CD2 3.95Å
200P96.7Very high97Very high32 Ų3221.8 Ų21.821%0.20811%0.111CC..THydrogen-bonded Turntrans-55.4148.6172.8-21.632.5000111.7Q202 V276 L332 D334P200-Q202 VanDerWaalsContact C-N 3.27Å; P200-Q202 PolarHBondContact O-N 2.68Å; P200-V276 HydrophobicContact CG-CG2 4.41Å; P200-L332 HydrophobicContact CG-CB 3.59Å; P200-L332 VanDerWaalsContact CG-O 3.26Å; P200-L332 WeakPolarHBondContact CG-O 3.48Å; P200-D334 HydrophobicContact CB-CB 3.86Å
201G95.5Very high97.2Very high26 Ų2626.1 Ų26.127%0.26813%0.132SC..THydrogen-bonded Turntrans88.9-19.2-175.800000114.7V273 D334G201-V273 PolarHBondContact N-O 3.42Å; G201-D334 WeakPolarHBondContact CA-OD1 3.17Å; G201-D334 PolarHBondContact N-OD1 3.15Å
202Q95.9Very high97.3Very high9 Ų927.7 Ų27.74%0.04215%0.151CC..  trans-74149.8-179.3-163.6-165-22.600112.9R96 R199 P200 K272 V273 D301 L314R96-Q202 VanDerWaalsContact NH2-OE1 3.14Å; R199-Q202 VanDerWaalsContact O-CB 3.22Å; R199-Q202 WeakPolarHBondContact O-CB 3.35Å; R199-Q202 PolarHBondContact O-N 3.22Å; P200-Q202 VanDerWaalsContact C-N 3.27Å; P200-Q202 PolarHBondContact O-N 2.68Å; Q202-K272 CarbonylContact O-C 3.51Å; Q202-K272 WeakPolarHBondContact O-CA 3.49Å; Q202-V273 PolarHBondContact O-N 3.38Å; Q202-D301 PolarHBondContact NE2-OD1 3.29Å; Q202-L314 HydrophobicContact CG-CD1 3.88Å
203Y97.6Very high97.4Very high65 Ų6532 Ų3226%0.25517%0.169SC..EExtended strand (participates in β ladder)trans-98.5132.2170.2-69.4-96.3000112.2G270 L271 K272 S302 Y307Y203-G270 WeakPolarHBondContact CD1-O 3.44Å; Y203-L271 WeakPolarHBondContact CA-O 3.19Å; Y203-K272 HydrophobicContact CD1-CB 4.22Å; Y203-K272 HydrophobicContact CE1-CB 3.9Å; Y203-K272 HydrophobicContact CE1-CG 4.49Å; Y203-S302 VanDerWaalsContact O-CB 3.27Å; Y203-S302 WeakPolarHBondContact O-CB 3.22Å; Y203-S302 PolarHBondContact O-N 3.3Å; Y203-Y307 HydrophobicContact CD1-CD2 4.34Å; Y203-Y307 HydrophobicContact CD1-CE1 4.36Å; Y203-Y307 AromaticContact CD1-CE2 3.7Å; Y203-Y307 HydrophobicContact CD1-CE2 3.7Å; Y203-Y307 AromaticContact CD1-CZ 3.7Å; Y203-Y307 AromaticContact CD2-CD1 3.7Å; Y203-Y307 HydrophobicContact CD2-CD1 3.7Å; Y203-Y307 HydrophobicContact CD2-CD2 4.25Å; Y203-Y307 AromaticContact CD2-CE1 3.53Å; Y203-Y307 HydrophobicContact CD2-CE1 3.53Å; Y203-Y307 HydrophobicContact CD2-CE2 4.11Å; Y203-Y307 HydrophobicContact CD2-CG 4.06Å; Y203-Y307 AromaticContact CD2-CZ 3.75Å; Y203-Y307 HydrophobicContact CE1-CE1 4.34Å; Y203-Y307 HydrophobicContact CE1-CE2 4.18Å; Y203-Y307 AromaticContact CE1-CZ 3.73Å; Y203-Y307 WeakPolarHBondContact CE1-OH 3.35Å; Y203-Y307 HydrophobicContact CE2-CD1 4.11Å; Y203-Y307 AromaticContact CE2-CE1 3.52Å; Y203-Y307 HydrophobicContact CE2-CE1 3.52Å; Y203-Y307 AromaticContact CE2-CZ 3.79Å; Y203-Y307 HydrophobicContact CG-CD1 4.16Å; Y203-Y307 AromaticContact CG-CD2 3.86Å; Y203-Y307 HydrophobicContact CG-CD2 3.86Å; Y203-Y307 AromaticContact CG-CE1 3.97Å; Y203-Y307 HydrophobicContact CG-CE1 3.97Å; Y203-Y307 AromaticContact CG-CE2 3.65Å; Y203-Y307 HydrophobicContact CG-CE2 3.65Å; Y203-Y307 HydrophobicContact CG-CG 4.11Å; Y203-Y307 AromaticContact CG-CZ 3.7Å; Y203-Y307 AromaticContact CZ-CE1 3.95Å; Y203-Y307 AromaticContact CZ-CZ 3.77Å
204V97.9Very high97.4Very high0 Ų033.7 Ų33.70%019%0.187CC..EExtended strand (participates in β ladder)trans-124.3150.6-179.2-62.30000112.1F198 V206 L271 V273 V285 I299 K300F198-V204 HydrophobicContact CD1-CG1 3.51Å; F198-V204 HydrophobicContact CE1-CG1 3.6Å; F198-V204 HydrophobicContact CG-CG1 4.28Å; F198-V204 HydrophobicContact CZ-CG1 4.4Å; V204-V206 HydrophobicContact CG2-CG2 4.25Å; V204-L271 HydrophobicContact CG2-CB 4.38Å; V204-L271 WeakPolarHBondContact CG2-O 3.32Å; V204-L271 PolarHBondContact N-O 3.23Å; V204-L271 PolarHBondContact O-N 2.93Å; V204-V273 HydrophobicContact CG1-CG2 3.82Å; V204-V273 HydrophobicContact CG2-CG2 3.94Å; V204-V285 HydrophobicContact CG2-CG1 4.07Å; V204-V285 HydrophobicContact CG2-CG2 4.16Å; V204-I299 HydrophobicContact CB-CG2 3.93Å; V204-I299 HydrophobicContact CG1-CG2 4.21Å; V204-I299 HydrophobicContact CG2-CG2 4.12Å; V204-K300 CarbonylContact C-O 3.49Å; V204-K300 VanDerWaalsContact CA-O 3.32Å; V204-K300 WeakPolarHBondContact CA-O 3.04Å; V204-K300 WeakPolarHBondContact CB-O 3.29Å
205D98.3Very high97.5Very high0 Ų038.7 Ų38.70%021%0.21CC..EExtended strand (participates in β ladder)trans-102.6127.7170.6-65.1-19.3000109.5T267 V268 Y269 G270 K300 S302 T303D205-T267 HydrophobicContact CB-CG2 4.1Å; D205-V268 WeakPolarHBondContact CA-O 3.1Å; D205-Y269 HydrophobicContact CB-CD1 4.31Å; D205-Y269 VanDerWaalsContact CG-CD1 3.46Å; D205-Y269 WeakPolarHBondContact OD1-CA 3.15Å; D205-Y269 WeakPolarHBondContact OD1-CD1 3.42Å; D205-Y269 WeakPolarHBondContact OD2-CD1 3.16Å; D205-G270 PolarHBondContact OD1-N 2.67Å; D205-K300 HydrophobicContact CB-CG 4.03Å; D205-K300 PolarHBondContact N-O 3.4Å; D205-K300 PolarHBondContact O-N 2.99Å; D205-K300 VanDerWaalsContact O-N 3.1Å; D205-K300 IonicContact OD2-NZ 3.48Å; D205-S302 WeakPolarHBondContact OD1-CA 3.21Å; D205-T303 PolarHBondContact OD2-N 2.9Å; D205-T303 PolarHBondContact OD2-OG1 3.18Å
206V98.5Very high97.5Very high0 Ų040.9 Ų40.90%022%0.22CC..EExtended strand (participates in β ladder)trans-114.6123.2-179-169.90000110.7L122 V204 T267 V268 L271 V285 V289 V297 K298 I299L122-V206 HydrophobicContact CD1-CG2 4.32Å; V204-V206 HydrophobicContact CG2-CG2 4.25Å; V206-T267 WeakPolarHBondContact O-CA 3.16Å; V206-V268 PolarHBondContact N-O 2.84Å; V206-V268 PolarHBondContact O-N 3.06Å; V206-L271 HydrophobicContact CB-CD1 4.35Å; V206-L271 HydrophobicContact CG2-CD1 4.01Å; V206-V285 HydrophobicContact CG2-CG1 4.49Å; V206-V289 HydrophobicContact CB-CG1 4.2Å; V206-V289 HydrophobicContact CB-CG2 4.38Å; V206-V289 HydrophobicContact CG1-CB 4.47Å; V206-V289 HydrophobicContact CG1-CG1 3.41Å; V206-V289 VanDerWaalsContact CG1-CG1 3.41Å; V206-V289 HydrophobicContact CG1-CG2 4.24Å; V206-V289 HydrophobicContact CG2-CG2 4.4Å; V206-V297 HydrophobicContact CG1-CB 3.89Å; V206-V297 HydrophobicContact CG1-CG2 4.03Å; V206-K298 CarbonylContact C-O 3.57Å; V206-K298 WeakPolarHBondContact CA-O 3.4Å; V206-I299 HydrophobicContact CG1-CG1 4.42Å; V206-I299 HydrophobicContact CG2-CG1 4.4Å; V206-I299 HydrophobicContact CG2-CG2 4.4Å
207T98.4Very high97.6Very high28 Ų2842.6 Ų42.617%0.17224%0.238CC..EExtended strand (participates in β ladder)trans-114.7127.1179.4-52.70000111.2N265 R266 T267 K298T207-N265 HydrophobicContact CG2-CB 4.48Å; T207-R266 WeakPolarHBondContact CA-O 3.43Å; T207-T267 WeakPolarHBondContact CG2-OG1 3.3Å; T207-T267 WeakPolarHBondContact OG1-CB 3.42Å; T207-T267 WeakPolarHBondContact OG1-CG2 3.47Å; T207-T267 PolarHBondContact OG1-OG1 2.97Å; T207-K298 PolarHBondContact N-O 3.22Å; T207-K298 PolarHBondContact O-N 2.86Å
208A98Very high97.7Very high4 Ų442.7 Ų42.73%0.03324%0.239CC..EExtended strand (participates in β ladder)trans-152.5168176.600000112.3T210 N265 R266 P290 V297A208-T210 PolarHBondContact O-N 2.98Å; A208-N265 WeakPolarHBondContact O-CA 3.5Å; A208-R266 PolarHBondContact N-O 3.1Å; A208-R266 PolarHBondContact O-N 2.84Å; A208-P290 HydrophobicContact CB-CB 4.37Å; A208-P290 HydrophobicContact CB-CG 4.07Å; A208-P290 VanDerWaalsContact CB-O 3.27Å; A208-P290 WeakPolarHBondContact CB-O 3.47Å; A208-V297 HydrophobicContact CB-CB 4.14Å; A208-V297 HydrophobicContact CB-CG1 3.72Å
209K97.9Very high97.7Very high121 Ų12145 Ų4553%0.52625%0.25SS..EExtended strand (participates in β ladder)trans-74.6123.7171.2-73.5-174.6176.2-176.90109.7Q264 N265 G291K209-Q264 WeakPolarHBondContact CA-O 3.26Å; K209-N265 WeakPolarHBondContact CG-OD1 3.28Å; K209-G291 WeakPolarHBondContact O-CA 3.36Å
210T98.3Very high97.8Very high35 Ų3547.4 Ų47.422%0.21526%0.263CS..PPolyproline II helixtrans-65.3153.9174.348.90000112.1A208 G212 N263 Q264 R266 P290A208-T210 PolarHBondContact O-N 2.98Å; T210-G212 PolarHBondContact O-N 3.46Å; T210-N263 VanDerWaalsContact O-CA 3.27Å; T210-N263 WeakPolarHBondContact O-CA 3.18Å; T210-N263 PolarHBondContact O-N 2.75Å; T210-N263 PolarHBondContact OG1-N 3.46Å; T210-Q264 PolarHBondContact N-O 3.26Å; T210-Q264 PolarHBondContact OG1-N 3.21Å; T210-Q264 PolarHBondContact OG1-O 2.93Å; T210-R266 HydrophobicContact CG2-CB 3.78Å; T210-R266 HydrophobicContact CG2-CG 3.57Å; T210-P290 HydrophobicContact CG2-CB 4.07Å
211I98.4Very high97.9Very high96 Ų9649.1 Ų49.149%0.49227%0.265SS..PPolyproline II helixtrans-56.4122.5176.4-60.3176.2000109.4K213 G262 H292I211-K213 PolarHBondContact O-N 2.77Å; I211-G262 WeakPolarHBondContact O-CA 3.42Å; I211-H292 HydrophobicContact CG1-CB 4.21Å
212G97.8Very high98Very high46 Ų4652.9 Ų52.947%0.47427%0.271SS..PPolyproline II helixtrans-70.912317700000110.9T210T210-G212 PolarHBondContact O-N 3.46Å
213K98.2Very high98.1Very high97 Ų9755.4 Ų55.442%0.42230%0.299SS..  trans-1047.9177.9-61.9178.3-178.8178.90112.4I211 Q216 M261I211-K213 PolarHBondContact O-N 2.77Å; K213-Q216 HydrophobicContact CB-CG 3.96Å; K213-Q216 WeakPolarHBondContact O-CG 3.27Å; K213-Q216 PolarHBondContact O-NE2 3.36Å; K213-M261 HydrophobicContact CB-CB 4.34Å; K213-M261 HydrophobicContact CD-CE 4.25Å; K213-M261 HydrophobicContact CD-CG 4.35Å; K213-M261 HydrophobicContact CD-SD 3.71Å; K213-M261 PolarHBondContact N-O 3.37Å
214G97.9Very high98.1Very high38 Ų3855.5 Ų55.539%0.39230%0.301SS..  trans67.9-156-177.400000113.3R260 M261G214-R260 WeakPolarHBondContact O-CA 3.44Å; G214-M261 PolarHBondContact O-N 3.25Å
215F98.4Very high98.1Very high150 Ų15065.3 Ų65.366%0.65834%0.344SS*.EExtended strand (participates in β ladder)trans-74.1122.3172.2-169.9-81.6000109.5P258F215-P258 HydrophobicContact CE1-CB 3.96Å; F215-P258 HydrophobicContact CZ-CB 3.99Å; F215-P258 HydrophobicContact CZ-CG 4.43Å
216Q98.4Very high98Very high45 Ų4566.5 Ų66.521%0.2136%0.356CS..EExtended strand (participates in β ladder)trans-124.7144.6-175.9-70.5-60.5-37.300111.8K213 K220 R221 P258 G259 M261K213-Q216 HydrophobicContact CB-CG 3.96Å; K213-Q216 WeakPolarHBondContact O-CG 3.27Å; K213-Q216 PolarHBondContact O-NE2 3.36Å; Q216-K220 HydrophobicContact CG-CD 4.24Å; Q216-R221 HydrophobicContact CB-CB 4.39Å; Q216-P258 WeakPolarHBondContact O-CA 3.29Å; Q216-G259 PolarHBondContact N-O 3.38Å; Q216-G259 PolarHBondContact O-N 2.85Å; Q216-M261 HydrophobicContact CB-CB 4Å; Q216-M261 HydrophobicContact CB-SD 4.42Å; Q216-M261 HydrophobicContact CG-CB 3.96Å; Q216-M261 HydrophobicContact CG-SD 4.34Å
217G98Very high97.9Very high38 Ų3868.9 Ų68.939%0.39237%0.367SS..  trans-69.7165.917400000112.9M219 K220 R221G217-M219 VanDerWaalsContact C-N 3.32Å; G217-M219 PolarHBondContact O-N 3.03Å; G217-K220 PolarHBondContact O-N 2.93Å; G217-R221 VanDerWaalsContact O-CB 3.32Å; G217-R221 WeakPolarHBondContact O-CB 3.34Å; G217-R221 PolarHBondContact O-N 3.18Å
218V98.2Very high97.8Very high3 Ų371.3 Ų71.32%0.01838%0.383CS..Hα-helixtrans-62.2-33.7-173.2-64.20000114.3W222 G223 F224 P240 P258V218-W222 WeakPolarHBondContact O-CA 3.5Å; V218-W222 WeakPolarHBondContact O-CB 3.27Å; V218-W222 PolarHBondContact O-N 3.03Å; V218-G223 PolarHBondContact O-N 2.72Å; V218-F224 HydrophobicContact CB-CB 4.37Å; V218-F224 HydrophobicContact CB-CD2 3.84Å; V218-F224 HydrophobicContact CB-CE2 4.35Å; V218-F224 HydrophobicContact CB-CG 4.12Å; V218-F224 HydrophobicContact CG2-CB 4.18Å; V218-F224 HydrophobicContact CG2-CD2 3.84Å; V218-F224 HydrophobicContact CG2-CG 4.27Å; V218-P240 HydrophobicContact CG1-CB 4.19Å; V218-P240 HydrophobicContact CG2-CB 4.3Å; V218-P258 HydrophobicContact CG1-CB 4.33Å; V218-P258 HydrophobicContact CG1-CG 4.5Å
219M98.2Very high97.7Very high48 Ų4875.5 Ų75.524%0.23642%0.418CS..Hα-helixtrans-62.4-47.4178-62-17470.400111.7G217 G223 F224 K225 R238G217-M219 VanDerWaalsContact C-N 3.32Å; G217-M219 PolarHBondContact O-N 3.03Å; M219-G223 WeakPolarHBondContact O-CA 3.38Å; M219-G223 PolarHBondContact O-N 2.9Å; M219-F224 WeakPolarHBondContact CG-O 3.39Å; M219-K225 WeakPolarHBondContact CE-O 3.32Å; M219-R238 HydrophobicContact SD-CB 3.78Å; M219-R238 HydrophobicContact SD-CG 3.73Å; M219-R238 PolarHBondContact SD-NH1 3.45Å
220K98.1Very high97.5Very high115 Ų11573.1 Ų73.150%0.542%0.416SS..Hα-helixtrans-77.5-36.4-179.4-163.5-177.1-164.4169.20112.4Q216 G217 M261Q216-K220 HydrophobicContact CG-CD 4.24Å; G217-K220 PolarHBondContact O-N 2.93Å; K220-M261 HydrophobicContact CG-SD 4.44Å; K220-M261 WeakPolarHBondContact O-CE 3.29Å
221R98Very high97.4Very high68 Ų6880 Ų8026%0.25745%0.445SS..Hα-helixtrans-75.9-41-175.6-171.4177.4-173.3-162.87.1112.8Q216 G217 M257 P258 G259 R260 M261Q216-R221 HydrophobicContact CB-CB 4.39Å; G217-R221 VanDerWaalsContact O-CB 3.32Å; G217-R221 WeakPolarHBondContact O-CB 3.34Å; G217-R221 PolarHBondContact O-N 3.18Å; R221-M257 PolarHBondContact NH1-O 2.79Å; R221-P258 VanDerWaalsContact NH1-C 3.34Å; R221-P258 PolarHBondContact NH1-O 3.24Å; R221-G259 VanDerWaalsContact NH1-CA 3.26Å; R221-R260 PolarHBondContact NE-O 3.12Å; R221-R260 PolarHBondContact NH2-O 3.32Å; R221-R260 VanDerWaalsContact NH2-O 3.12Å; R221-M261 HydrophobicContact CB-SD 4.42Å; R221-M261 HydrophobicContact CG-CB 4.29Å; R221-M261 HydrophobicContact CG-CG 4.37Å
222W98.2Very high97.2Very high105 Ų10578.9 Ų78.940%0.39846%0.458SS..Hα-helixtrans-123.7-2.8-170.2-59120.4000114.3V218 F224 K256 M257V218-W222 WeakPolarHBondContact O-CA 3.5Å; V218-W222 WeakPolarHBondContact O-CB 3.27Å; V218-W222 PolarHBondContact O-N 3.03Å; W222-F224 HydrophobicContact CB-CD1 3.81Å; W222-F224 HydrophobicContact CB-CE1 3.85Å; W222-K256 HydrophobicContact CB-CB 4.47Å; W222-K256 HydrophobicContact CB-CD 4.26Å; W222-K256 HydrophobicContact CD2-CB 3.91Å; W222-K256 HydrophobicContact CD2-CD 4.05Å; W222-K256 HydrophobicContact CD2-CG 3.79Å; W222-K256 HydrophobicContact CE3-CD 4.03Å; W222-K256 HydrophobicContact CE3-CG 4Å; W222-K256 HydrophobicContact CG-CB 3.82Å; W222-K256 HydrophobicContact CG-CD 4.18Å; W222-K256 HydrophobicContact CG-CG 4.12Å; W222-K256 HydrophobicContact CZ2-CG 4.39Å; W222-K256 HydrophobicContact CZ3-CG 4.38Å; W222-M257 PolarHBondContact NE1-O 2.59Å
223G97.9Very high97Very high62 Ų6279.9 Ų79.964%0.63945%0.45SS*.  trans73.924.8-179.600000114.1V218 M219V218-G223 PolarHBondContact O-N 2.72Å; M219-G223 WeakPolarHBondContact O-CA 3.38Å; M219-G223 PolarHBondContact O-N 2.9Å
224F98.2Very high96.8Very high67 Ų6780.1 Ų80.129%0.29446%0.46SS..  trans-63.6140.2176.1-78.521.1000110.5V218 M219 W222 G226 P240 K256V218-F224 HydrophobicContact CB-CB 4.37Å; V218-F224 HydrophobicContact CB-CD2 3.84Å; V218-F224 HydrophobicContact CB-CE2 4.35Å; V218-F224 HydrophobicContact CB-CG 4.12Å; V218-F224 HydrophobicContact CG2-CB 4.18Å; V218-F224 HydrophobicContact CG2-CD2 3.84Å; V218-F224 HydrophobicContact CG2-CG 4.27Å; M219-F224 WeakPolarHBondContact CG-O 3.39Å; W222-F224 HydrophobicContact CB-CD1 3.81Å; W222-F224 HydrophobicContact CB-CE1 3.85Å; F224-G226 VanDerWaalsContact C-N 3.26Å; F224-G226 PolarHBondContact O-N 3.48Å; F224-P240 HydrophobicContact CE2-CB 4.29Å; F224-K256 HydrophobicContact CE1-CB 4.17Å; F224-K256 HydrophobicContact CE1-CD 4.09Å; F224-K256 HydrophobicContact CZ-CB 3.94Å
225K97.5Very high96.7Very high206 Ų20687.1 Ų87.190%0.89648%0.48SS*.  trans-64.4-27.9-178.6-66.8-173.2177.9-176.70113.5M219M219-K225 WeakPolarHBondContact CE-O 3.32Å
226G95.5Very high96.5Very high24 Ų2481.3 Ų81.325%0.24746%0.456CS..  trans79.3-156.6-171.200000111.8F224F224-G226 VanDerWaalsContact C-N 3.26Å; F224-G226 PolarHBondContact O-N 3.48Å
227Q96.2Very high96.4Very high51 Ų5183.1 Ų83.124%0.23846%0.464CS..  trans-121.7155.8-178.6-73.673.715.800109Q233 T236 H237 R239Q227-Q233 HydrophobicContact CB-CG 4.12Å; Q227-T236 VanDerWaalsContact CD-O 3.27Å; Q227-T236 PolarHBondContact OE1-O 2.83Å; Q227-H237 PolarHBondContact N-O 2.7Å; Q227-H237 PolarHBondContact OE1-O 2.78Å; Q227-R239 PolarHBondContact NE2-O 2.91Å; Q227-R239 VanDerWaalsContact NE2-O 3.13Å; Q227-R239 PolarHBondContact OE1-O 2.91Å; Q227-R239 VanDerWaalsContact OE1-O 3.09Å
228P97.2Very high96.4Very high79 Ų7989 Ų8951%0.51348%0.475SS..  trans-56.9152.9-18023.7-34.5000112.2H237P228-H237 PolarHBondContact O-ND1 2.97Å; P228-H237 VanDerWaalsContact O-ND1 3.14Å
229A96.1Very high96.3Very high91 Ų9196.1 Ų96.175%0.75250%0.501SS*.SBendtrans-80.1-34.8177.500000112.3
230S93.9Very high96.3Very high71 Ų7196.1 Ų96.150%0.49751%0.505SS..SBendtrans-107.8-171.6-179.359.60000112.2
231H94.7Very high96.2Very high179 Ų17992.7 Ų92.783%0.82950%0.503SS*.THydrogen-bonded Turntrans65.144.4178.7-54.3-77.5000115Q233H231-Q233 VanDerWaalsContact C-N 3.33Å; H231-Q233 PolarHBondContact O-N 3.04Å
232G94.1Very high96.1Very high73 Ų7394.3 Ų94.375%0.75353%0.53SS*.THydrogen-bonded Turntrans80.66.6168.900000115.6T234G232-T234 PolarHBondContact O-N 3.12Å; G232-T234 PolarHBondContact O-OG1 2.78Å
233Q94.3Very high96Very high68 Ų6893.3 Ų93.332%0.31853%0.532SS..  trans-69.2116-179.4-171.561.4-7500111.8Q227 H231 T236 H237Q227-Q233 HydrophobicContact CB-CG 4.12Å; H231-Q233 VanDerWaalsContact C-N 3.33Å; H231-Q233 PolarHBondContact O-N 3.04Å; Q233-T236 WeakPolarHBondContact CG-OG1 3.13Å; Q233-T236 PolarHBondContact NE2-OG1 2.83Å; Q233-T236 VanDerWaalsContact NE2-OG1 3.15Å; Q233-T236 PolarHBondContact OE1-OG1 2.72Å; Q233-H237 PolarHBondContact O-CE1 2.81Å
234T94.1Very high95.9Very high101 Ų10192.3 Ų92.362%0.6252%0.515SS*.  trans-105.6114.4-174.4-60.40000111.6G232 T236G232-T234 PolarHBondContact O-N 3.12Å; G232-T234 PolarHBondContact O-OG1 2.78Å; T234-T236 WeakPolarHBondContact O-CG2 3.28Å; T234-T236 PolarHBondContact O-N 3.33Å; T234-T236 VanDerWaalsContact O-N 3.12Å
235K94.7Very high95.8Very high186 Ų18693.1 Ų93.181%0.80953%0.526SS*.SBendtrans56.723.9171.8-60.4179.9-179.8176.90116.2
236T95.5Very high95.6Very high27 Ų2786.8 Ų86.817%0.16652%0.519CS..  trans-122.65-177.2600000115.2Q227 Q233 T234 R238 R239Q227-T236 VanDerWaalsContact CD-O 3.27Å; Q227-T236 PolarHBondContact OE1-O 2.83Å; Q233-T236 WeakPolarHBondContact CG-OG1 3.13Å; Q233-T236 PolarHBondContact NE2-OG1 2.83Å; Q233-T236 VanDerWaalsContact NE2-OG1 3.15Å; Q233-T236 PolarHBondContact OE1-OG1 2.72Å; T234-T236 WeakPolarHBondContact O-CG2 3.28Å; T234-T236 PolarHBondContact O-N 3.33Å; T234-T236 VanDerWaalsContact O-N 3.12Å; T236-R238 PolarHBondContact O-N 2.89Å; T236-R239 PolarHBondContact O-N 2.9Å; T236-R239 VanDerWaalsContact O-N 3.07Å
237H96.6Very high95.6Very high83 Ų8393.2 Ų93.238%0.38455%0.548SS..THydrogen-bonded Turntrans-48.4-29-172.3-49.1-64.5000116.7Q227 P228 Q233Q227-H237 PolarHBondContact N-O 2.7Å; Q227-H237 PolarHBondContact OE1-O 2.78Å; P228-H237 PolarHBondContact O-ND1 2.97Å; P228-H237 VanDerWaalsContact O-ND1 3.14Å; Q233-H237 PolarHBondContact O-CE1 2.81Å
238R97.2Very high95.5Very high162 Ų16293.7 Ų93.761%0.61155%0.551SS**THydrogen-bonded Turntrans-124.415.1-173.9-50.8-174.165.576.1-1.2113.7M219 T236M219-R238 HydrophobicContact SD-CB 3.78Å; M219-R238 HydrophobicContact SD-CG 3.73Å; M219-R238 PolarHBondContact SD-NH1 3.45Å; T236-R238 PolarHBondContact O-N 2.89Å
239R96.3Very high95.3Very high152 Ų15294.4 Ų94.457%0.57456%0.564SS**  trans-81.7156-177-68.3-176.677.1-1760.9110.8Q227 T236 G241Q227-R239 PolarHBondContact NE2-O 2.91Å; Q227-R239 VanDerWaalsContact NE2-O 3.13Å; Q227-R239 PolarHBondContact OE1-O 2.91Å; Q227-R239 VanDerWaalsContact OE1-O 3.09Å; T236-R239 PolarHBondContact O-N 2.9Å; T236-R239 VanDerWaalsContact O-N 3.07Å; R239-G241 PolarHBondContact O-N 2.88Å
240P97.4Very high95.3Very high49 Ų4996.1 Ų96.132%0.31855%0.551SS.*  trans-64.1-23.9176.723.7-32.9000114.3V218 F224 I243V218-P240 HydrophobicContact CG1-CB 4.19Å; V218-P240 HydrophobicContact CG2-CB 4.3Å; F224-P240 HydrophobicContact CE2-CB 4.29Å; P240-I243 HydrophobicContact CB-CG2 4.39Å; P240-I243 HydrophobicContact CG-CG2 4.34Å
241G96.2Very high95.4Very high43 Ų4395.6 Ų95.644%0.44354%0.544SS..  trans80.1-149.9-166.600000111.1R239R239-G241 PolarHBondContact O-N 2.88Å
242A95.8Very high95.5Very high101 Ų10193.5 Ų93.584%0.83553%0.529SS*.  trans-65.5141.8174.300000111.1
243I96.4Very high95.6Very high84 Ų8495.3 Ų95.343%0.43153%0.528SS..  trans-112.3-16.1-173.360.2173.2000114.2P240 V251 M257P240-I243 HydrophobicContact CB-CG2 4.39Å; P240-I243 HydrophobicContact CG-CG2 4.34Å; I243-V251 HydrophobicContact CD1-CG2 3.8Å; I243-V251 HydrophobicContact CG1-CG2 4.33Å; I243-M257 HydrophobicContact CB-CE 4.22Å; I243-M257 HydrophobicContact CD1-CE 3.87Å; I243-M257 HydrophobicContact CG2-CE 4.34Å
244S95.9Very high95.8Very high42 Ų4295.9 Ų95.929%0.29455%0.552SS.*SBendtrans-164.5178.3178.7-158.70000109.6R250S244-R250 WeakPolarHBondContact CB-O 3.1Å; S244-R250 PolarHBondContact OG-O 3.02Å
245T95.6Very high95.9Very high84 Ų8493.3 Ų93.352%0.51554%0.536SS..  trans-90.4150.2170.956.20000110.9I248T245-I248 VanDerWaalsContact OG1-CD1 3.23Å; T245-I248 WeakPolarHBondContact OG1-CD1 3.49Å; T245-I248 WeakPolarHBondContact OG1-CG1 3.39Å
246G94.4Very high96.1Very high73 Ų7389.8 Ų89.875%0.75352%0.521SS*.SBendtrans-67.1-38.1-178.300000113.7I248 A249G246-I248 VanDerWaalsContact C-N 3.33Å; G246-I248 PolarHBondContact O-N 2.95Å; G246-A249 PolarHBondContact O-N 3.44Å
247D95.1Very high96.2Very high159 Ų15991.8 Ų91.885%0.8553%0.529SS*.THydrogen-bonded Turntrans-58.3-41.3-177.9-176.629.2000113.2A249D247-A249 PolarHBondContact O-N 3.04Å
248I93.8Very high96.3Very high61 Ų6190.5 Ų90.531%0.31353%0.528SS..THydrogen-bonded Turntrans-70.4-21.8-179.5-65.2174.2000111.6T245 G246 R250 W252T245-I248 VanDerWaalsContact OG1-CD1 3.23Å; T245-I248 WeakPolarHBondContact OG1-CD1 3.49Å; T245-I248 WeakPolarHBondContact OG1-CG1 3.39Å; G246-I248 VanDerWaalsContact C-N 3.33Å; G246-I248 PolarHBondContact O-N 2.95Å; I248-R250 HydrophobicContact CG2-CG 3.43Å; I248-R250 VanDerWaalsContact CG2-CG 3.43Å; I248-R250 PolarHBondContact O-N 2.99Å; I248-W252 HydrophobicContact CD1-CZ2 3.63Å
249A93.5Very high96.4Very high94 Ų9483.1 Ų83.178%0.77750%0.503SS*.  trans50.417.9-17900000115.6G246 D247G246-A249 PolarHBondContact O-N 3.44Å; D247-A249 PolarHBondContact O-N 3.04Å
250R95.2Very high96.5Very high127 Ų12783.2 Ų83.248%0.47950%0.503SS..SBendtrans-143.9164174.165.2172.4-178125.33.5111.1S244 I248S244-R250 WeakPolarHBondContact CB-O 3.1Å; S244-R250 PolarHBondContact OG-O 3.02Å; I248-R250 HydrophobicContact CG2-CG 3.43Å; I248-R250 VanDerWaalsContact CG2-CG 3.43Å; I248-R250 PolarHBondContact O-N 2.99Å
251V96.4Very high96.5Very high59 Ų5983 Ų8336%0.35850%0.498SS..PPolyproline II helixtrans-92.6131170.3179.90000108.6I243 T255 M257I243-V251 HydrophobicContact CD1-CG2 3.8Å; I243-V251 HydrophobicContact CG1-CG2 4.33Å; V251-T255 HydrophobicContact CG1-CG2 4.04Å; V251-T255 WeakPolarHBondContact CG1-OG1 3.27Å; V251-M257 HydrophobicContact CG1-CE 3.65Å; V251-M257 HydrophobicContact CG2-CE 4.29Å
252W96.7Very high96.5Very high135 Ų13581.6 Ų81.651%0.51148%0.484SS..PPolyproline II helixtrans-61.4134.8176.1-70.699.7000111.6I248 G254 T255I248-W252 HydrophobicContact CD1-CZ2 3.63Å; W252-G254 PolarHBondContact O-N 3.07Å; W252-T255 WeakPolarHBondContact O-CB 3.4Å; W252-T255 PolarHBondContact O-N 3.33Å; W252-T255 VanDerWaalsContact O-N 3.11Å; W252-T255 PolarHBondContact O-OG1 2.63Å
253P97.5Very high96.6Very high111 Ų11179.9 Ų79.972%0.72146%0.461SS*.THydrogen-bonded Turntrans-55.1133.5172.3-24.734.4000111
254G96.9Very high96.7Very high81 Ų8180.6 Ų80.684%0.83546%0.462SS*.THydrogen-bonded Turntrans85.83.1-177.400000115.4W252 K256W252-G254 PolarHBondContact O-N 3.07Å; G254-K256 PolarHBondContact O-N 2.64Å
255T97.7Very high96.8Very high47 Ų4783 Ų8329%0.28847%0.472SS..  trans-53.3132.9172.7-62.40000111.7V251 W252 M257V251-T255 HydrophobicContact CG1-CG2 4.04Å; V251-T255 WeakPolarHBondContact CG1-OG1 3.27Å; W252-T255 WeakPolarHBondContact O-CB 3.4Å; W252-T255 PolarHBondContact O-N 3.33Å; W252-T255 VanDerWaalsContact O-N 3.11Å; W252-T255 PolarHBondContact O-OG1 2.63Å; T255-M257 HydrophobicContact CG2-CE 4.27Å; T255-M257 HydrophobicContact CG2-CG 4.48Å; T255-M257 PolarHBondContact O-N 2.97Å
256K98.3Very high96.9Very high112 Ų11286.3 Ų86.349%0.48748%0.475SS..  trans-68.9102-175.7-69.7177.5-177.6174.10111.7W222 F224 G254W222-K256 HydrophobicContact CB-CB 4.47Å; W222-K256 HydrophobicContact CB-CD 4.26Å; W222-K256 HydrophobicContact CD2-CB 3.91Å; W222-K256 HydrophobicContact CD2-CD 4.05Å; W222-K256 HydrophobicContact CD2-CG 3.79Å; W222-K256 HydrophobicContact CE3-CD 4.03Å; W222-K256 HydrophobicContact CE3-CG 4Å; W222-K256 HydrophobicContact CG-CB 3.82Å; W222-K256 HydrophobicContact CG-CD 4.18Å; W222-K256 HydrophobicContact CG-CG 4.12Å; W222-K256 HydrophobicContact CZ2-CG 4.39Å; W222-K256 HydrophobicContact CZ3-CG 4.38Å; F224-K256 HydrophobicContact CE1-CB 4.17Å; F224-K256 HydrophobicContact CE1-CD 4.09Å; F224-K256 HydrophobicContact CZ-CB 3.94Å; G254-K256 PolarHBondContact O-N 2.64Å
257M98.3Very high97.1Very high68 Ų6884.8 Ų84.834%0.33545%0.451SS..  trans-120.5163.4-177.7-77.6-174.5174.900112.7R221 W222 I243 V251 T255R221-M257 PolarHBondContact NH1-O 2.79Å; W222-M257 PolarHBondContact NE1-O 2.59Å; I243-M257 HydrophobicContact CB-CE 4.22Å; I243-M257 HydrophobicContact CD1-CE 3.87Å; I243-M257 HydrophobicContact CG2-CE 4.34Å; V251-M257 HydrophobicContact CG1-CE 3.65Å; V251-M257 HydrophobicContact CG2-CE 4.29Å; T255-M257 HydrophobicContact CG2-CE 4.27Å; T255-M257 HydrophobicContact CG2-CG 4.48Å; T255-M257 PolarHBondContact O-N 2.97Å
258P98.3Very high97.2Very high57 Ų5779.6 Ų79.637%0.3743%0.425SS..SBendtrans-59.7153.9172.928.2-35.9000110.9F215 Q216 V218 R221F215-P258 HydrophobicContact CE1-CB 3.96Å; F215-P258 HydrophobicContact CZ-CB 3.99Å; F215-P258 HydrophobicContact CZ-CG 4.43Å; Q216-P258 WeakPolarHBondContact O-CA 3.29Å; V218-P258 HydrophobicContact CG1-CB 4.33Å; V218-P258 HydrophobicContact CG1-CG 4.5Å; R221-P258 VanDerWaalsContact NH1-C 3.34Å; R221-P258 PolarHBondContact NH1-O 3.24Å
259G98.2Very high97.4Very high7 Ų782.5 Ų82.57%0.07243%0.433CS..EExtended strand (participates in β ladder)trans160.1-171.1-178.800000113.7Q216 R221 M261Q216-G259 PolarHBondContact N-O 3.38Å; Q216-G259 PolarHBondContact O-N 2.85Å; R221-G259 VanDerWaalsContact NH1-CA 3.26Å; G259-M261 PolarHBondContact O-N 3Å
260R98.1Very high97.6Very high154 Ų15479 Ų7958%0.58141%0.406SS*.EExtended strand (participates in β ladder)trans-61.8129.2-176.9-166.5179.2-174.8173.78.5111.6G214 R221 N263G214-R260 WeakPolarHBondContact O-CA 3.44Å; R221-R260 PolarHBondContact NE-O 3.12Å; R221-R260 PolarHBondContact NH2-O 3.32Å; R221-R260 VanDerWaalsContact NH2-O 3.12Å; R260-N263 PolarHBondContact NH2-ND2 3.4Å
261M98.1Very high97.7Very high44 Ų4473.7 Ų73.722%0.21739%0.387CS..  trans-119.8136176.8-173.4-171.2-172.800110.7K213 G214 Q216 K220 R221 G259K213-M261 HydrophobicContact CB-CB 4.34Å; K213-M261 HydrophobicContact CD-CE 4.25Å; K213-M261 HydrophobicContact CD-CG 4.35Å; K213-M261 HydrophobicContact CD-SD 3.71Å; K213-M261 PolarHBondContact N-O 3.37Å; G214-M261 PolarHBondContact O-N 3.25Å; Q216-M261 HydrophobicContact CB-CB 4Å; Q216-M261 HydrophobicContact CB-SD 4.42Å; Q216-M261 HydrophobicContact CG-CB 3.96Å; Q216-M261 HydrophobicContact CG-SD 4.34Å; K220-M261 HydrophobicContact CG-SD 4.44Å; K220-M261 WeakPolarHBondContact O-CE 3.29Å; R221-M261 HydrophobicContact CB-SD 4.42Å; R221-M261 HydrophobicContact CG-CB 4.29Å; R221-M261 HydrophobicContact CG-CG 4.37Å; G259-M261 PolarHBondContact O-N 3Å
262G97.4Very high97.8Very high14 Ų1472.4 Ų72.414%0.14438%0.377CS..SBendtrans76.9-165.3-178.300000113.4I211 Q264I211-G262 WeakPolarHBondContact O-CA 3.42Å; G262-Q264 PolarHBondContact O-N 2.93Å
263N97.6Very high97.8Very high64 Ų6466 Ų6634%0.34235%0.353SS..  trans53.132-171.2-164.433.2000113.8T210 R260T210-N263 VanDerWaalsContact O-CA 3.27Å; T210-N263 WeakPolarHBondContact O-CA 3.18Å; T210-N263 PolarHBondContact O-N 2.75Å; T210-N263 PolarHBondContact OG1-N 3.46Å; R260-N263 PolarHBondContact NH2-ND2 3.4Å
264Q97.6Very high97.8Very high99 Ų9961.3 Ų61.346%0.46332%0.321SS..SBendtrans-117.4148.7175.8-67.7174.60.800109K209 T210 G262 R266K209-Q264 WeakPolarHBondContact CA-O 3.26Å; T210-Q264 PolarHBondContact N-O 3.26Å; T210-Q264 PolarHBondContact OG1-N 3.21Å; T210-Q264 PolarHBondContact OG1-O 2.93Å; G262-Q264 PolarHBondContact O-N 2.93Å; Q264-R266 PolarHBondContact O-N 2.98Å
265N97.7Very high97.8Very high93 Ų9359.3 Ų59.350%0.49729%0.288SS..EExtended strand (participates in β ladder)trans-66.1127.2172.5-64.8-34000109T207 A208 K209T207-N265 HydrophobicContact CG2-CB 4.48Å; A208-N265 WeakPolarHBondContact O-CA 3.5Å; K209-N265 WeakPolarHBondContact CG-OD1 3.28Å
266R98.2Very high97.9Very high153 Ų15357.1 Ų57.158%0.57727%0.274SS*.EExtended strand (participates in β ladder)trans-129.8144.9170.3-71.4-67.4-177.2162-3.6108.9T207 A208 T210 Q264 P290T207-R266 WeakPolarHBondContact CA-O 3.43Å; A208-R266 PolarHBondContact N-O 3.1Å; A208-R266 PolarHBondContact O-N 2.84Å; T210-R266 HydrophobicContact CG2-CB 3.78Å; T210-R266 HydrophobicContact CG2-CG 3.57Å; Q264-R266 PolarHBondContact O-N 2.98Å; R266-P290 WeakPolarHBondContact O-CG 3.3Å
267T98.3Very high97.8Very high41 Ų4152.1 Ų52.125%0.25225%0.253SS..EExtended strand (participates in β ladder)trans-109.3131.7175.3-53.60000108.1D205 V206 T207 Y269D205-T267 HydrophobicContact CB-CG2 4.1Å; V206-T267 WeakPolarHBondContact O-CA 3.16Å; T207-T267 WeakPolarHBondContact CG2-OG1 3.3Å; T207-T267 WeakPolarHBondContact OG1-CB 3.42Å; T207-T267 WeakPolarHBondContact OG1-CG2 3.47Å; T207-T267 PolarHBondContact OG1-OG1 2.97Å; T267-Y269 HydrophobicContact CG2-CD1 4.01Å; T267-Y269 HydrophobicContact CG2-CD2 4.29Å; T267-Y269 HydrophobicContact CG2-CE1 3.63Å; T267-Y269 HydrophobicContact CG2-CE2 3.92Å; T267-Y269 HydrophobicContact CG2-CG 4.32Å
268V98.3Very high97.7Very high51 Ų5150.3 Ų50.331%0.30925%0.245SC..EExtended strand (participates in β ladder)trans-105.6128166.5-179.10000106.5D205 V206 L271 P290D205-V268 WeakPolarHBondContact CA-O 3.1Å; V206-V268 PolarHBondContact N-O 2.84Å; V206-V268 PolarHBondContact O-N 3.06Å; V268-L271 HydrophobicContact CB-CD1 4.21Å; V268-L271 HydrophobicContact CG1-CD1 3.95Å; V268-L271 HydrophobicContact CG1-CD2 3.62Å; V268-L271 HydrophobicContact CG1-CG 3.93Å; V268-P290 HydrophobicContact CG2-CG 4.2Å
269Y97.9Very high97.6Very high122 Ų12254.1 Ų54.148%0.47826%0.256SS..EExtended strand (participates in β ladder)trans-101.8153.4-172-59.6-90.9000111D205 T267D205-Y269 HydrophobicContact CB-CD1 4.31Å; D205-Y269 VanDerWaalsContact CG-CD1 3.46Å; D205-Y269 WeakPolarHBondContact OD1-CA 3.15Å; D205-Y269 WeakPolarHBondContact OD1-CD1 3.42Å; D205-Y269 WeakPolarHBondContact OD2-CD1 3.16Å; T267-Y269 HydrophobicContact CG2-CD1 4.01Å; T267-Y269 HydrophobicContact CG2-CD2 4.29Å; T267-Y269 HydrophobicContact CG2-CE1 3.63Å; T267-Y269 HydrophobicContact CG2-CE2 3.92Å; T267-Y269 HydrophobicContact CG2-CG 4.32Å
270G96.4Very high97.6Very high21 Ų2158.6 Ų58.622%0.21628%0.275CS..EExtended strand (participates in β ladder)trans65.641.8169.600000114.2Y203 D205Y203-G270 WeakPolarHBondContact CD1-O 3.44Å; D205-G270 PolarHBondContact OD1-N 2.67Å
271L97.9Very high97.6Very high15 Ų1553 Ų538%0.07926%0.257CS..EExtended strand (participates in β ladder)trans-90.6118174.6-56.9-177.8000110.4Y203 V204 V206 V268 V285 N286 V289Y203-L271 WeakPolarHBondContact CA-O 3.19Å; V204-L271 HydrophobicContact CG2-CB 4.38Å; V204-L271 WeakPolarHBondContact CG2-O 3.32Å; V204-L271 PolarHBondContact N-O 3.23Å; V204-L271 PolarHBondContact O-N 2.93Å; V206-L271 HydrophobicContact CB-CD1 4.35Å; V206-L271 HydrophobicContact CG2-CD1 4.01Å; V268-L271 HydrophobicContact CB-CD1 4.21Å; V268-L271 HydrophobicContact CG1-CD1 3.95Å; V268-L271 HydrophobicContact CG1-CD2 3.62Å; V268-L271 HydrophobicContact CG1-CG 3.93Å; L271-V285 HydrophobicContact CB-CG1 3.34Å; L271-V285 HydrophobicContact CD1-CG1 3.7Å; L271-V285 HydrophobicContact CG-CG1 4.15Å; L271-N286 WeakPolarHBondContact CD2-O 3.33Å; L271-V289 HydrophobicContact CD1-CG2 4.2Å
272K97.6Very high97.6Very high32 Ų3251.7 Ų51.714%0.13925%0.251CS..EExtended strand (participates in β ladder)trans-67.6139.3176.7-168.4-177.9179.1-167.80111.3Q202 Y203 W274 N286 D334Q202-K272 CarbonylContact O-C 3.51Å; Q202-K272 WeakPolarHBondContact O-CA 3.49Å; Y203-K272 HydrophobicContact CD1-CB 4.22Å; Y203-K272 HydrophobicContact CE1-CB 3.9Å; Y203-K272 HydrophobicContact CE1-CG 4.49Å; K272-W274 HydrophobicContact CD-CD2 4.43Å; K272-W274 HydrophobicContact CD-CE3 4.38Å; K272-W274 HydrophobicContact CD-CH2 4.28Å; K272-W274 HydrophobicContact CD-CZ2 4.26Å; K272-W274 HydrophobicContact CD-CZ3 4.34Å; K272-N286 HydrophobicContact CB-CB 4.24Å; K272-N286 VanDerWaalsContact O-CB 3.3Å; K272-N286 WeakPolarHBondContact O-CB 3.46Å; K272-N286 PolarHBondContact O-N 2.97Å; K272-D334 WeakPolarHBondContact CE-OD1 3.48Å; K272-D334 IonicContact NZ-OD1 3.46Å; K272-D334 PolarHBondContact NZ-OD1 3.07Å; K272-D334 IonicContact NZ-OD2 2.66Å; K272-D334 PolarHBondContact NZ-OD2 2.77Å
273V98.1Very high97.6Very high0 Ų051 Ų510%024%0.244CC..EExtended strand (participates in β ladder)trans-88.9119.5169.6-179.70000108.5G201 Q202 V204 V276 I283G201-V273 PolarHBondContact N-O 3.42Å; Q202-V273 PolarHBondContact O-N 3.38Å; V204-V273 HydrophobicContact CG1-CG2 3.82Å; V204-V273 HydrophobicContact CG2-CG2 3.94Å; V273-V276 HydrophobicContact CG1-CG2 3.72Å; V273-I283 HydrophobicContact CG1-CG2 3.8Å; V273-I283 HydrophobicContact CG2-CG2 4.2Å
274W97.7Very high97.7Very high13 Ų1348.9 Ų48.95%0.04923%0.231CC..EExtended strand (participates in β ladder)trans-93.4-37.9-176.1-76114.8000113.4L109 H117 V119 K272 Y284 N286 D334 S336 V337L109-W274 HydrophobicContact CD1-CB 3.88Å; L109-W274 HydrophobicContact CD1-CG 4.37Å; L109-W274 HydrophobicContact CD2-CD2 4.35Å; L109-W274 HydrophobicContact CD2-CG 4.45Å; H117-W274 AromaticContact CD2-CZ2 3.82Å; H117-W274 AromaticContact CG-CZ2 3.97Å; V119-W274 VanDerWaalsContact CG1-CD1 3.44Å; V119-W274 HydrophobicContact CG1-CG 4.23Å; K272-W274 HydrophobicContact CD-CD2 4.43Å; K272-W274 HydrophobicContact CD-CE3 4.38Å; K272-W274 HydrophobicContact CD-CH2 4.28Å; K272-W274 HydrophobicContact CD-CZ2 4.26Å; K272-W274 HydrophobicContact CD-CZ3 4.34Å; W274-Y284 PolarHBondContact N-O 3.07Å; W274-N286 PolarHBondContact NE1-OD1 2.89Å; W274-D334 HydrophobicContact CE3-CB 4.16Å; W274-D334 WeakPolarHBondContact O-CB 3.39Å; W274-D334 PolarHBondContact O-N 2.78Å; W274-S336 VanDerWaalsContact CZ3-OG 3.25Å; W274-S336 WeakPolarHBondContact CZ3-OG 3.49Å; W274-V337 HydrophobicContact CB-CG2 4.27Å; W274-V337 HydrophobicContact CD2-CG2 4.2Å; W274-V337 HydrophobicContact CE3-CG2 3.31Å; W274-V337 HydrophobicContact CZ3-CG2 3.86Å
275R97.2Very high97.7Very high39 Ų3944.2 Ų44.215%0.14721%0.209CC..EExtended strand (participates in β ladder)trans-149.3149-176.7174.6-173.8172.2176.5-5.5109.7Y284 D331 L332 F333R275-Y284 HydrophobicContact CB-CD2 3.84Å; R275-Y284 HydrophobicContact CB-CG 3.98Å; R275-Y284 HydrophobicContact CG-CD2 3.83Å; R275-Y284 HydrophobicContact CG-CE2 4.12Å; R275-Y284 HydrophobicContact CG-CG 4.38Å; R275-Y284 WeakPolarHBondContact O-CB 3.44Å; R275-Y284 WeakPolarHBondContact O-CD2 3.42Å; R275-Y284 PolarHBondContact O-N 2.97Å; R275-D331 IonicContact CZ-OD1 2.83Å; R275-D331 VanDerWaalsContact CZ-OD1 3.22Å; R275-D331 IonicContact CZ-OD2 2.77Å; R275-D331 VanDerWaalsContact NE-CG 3.3Å; R275-D331 IonicContact NE-OD1 3.85Å; R275-D331 PolarHBondContact NE-OD1 3.13Å; R275-D331 IonicContact NE-OD2 3.55Å; R275-D331 IonicContact NH2-OD1 2.63Å; R275-D331 PolarHBondContact NH2-OD1 3.09Å; R275-D331 IonicContact NH2-OD2 3.36Å; R275-D331 PolarHBondContact NH2-OD2 3.12Å; R275-L332 CarbonylContact C-O 3.59Å; R275-L332 WeakPolarHBondContact CA-O 3.47Å; R275-L332 WeakPolarHBondContact CG-O 3.29Å; R275-F333 HydrophobicContact CB-CD1 4.32Å; R275-F333 VanDerWaalsContact CD-CE1 3.48Å; R275-F333 HydrophobicContact CG-CD1 4.05Å; R275-F333 HydrophobicContact CG-CE1 4.05Å
276V98Very high97.7Very high0 Ų041.9 Ų41.90%020%0.197CC..EExtended strand (participates in β ladder)trans-130.6125.5170.6-178.40000108.6A195 P200 V273 I282 L332A195-V276 HydrophobicContact CB-CG1 4.09Å; P200-V276 HydrophobicContact CG-CG2 4.41Å; V273-V276 HydrophobicContact CG1-CG2 3.72Å; V276-I282 WeakPolarHBondContact CA-O 3.39Å; V276-L332 HydrophobicContact CB-CB 4.45Å; V276-L332 PolarHBondContact N-O 2.79Å; V276-L332 PolarHBondContact O-N 3.27Å
277N97.6Very high97.7Very high8 Ų835.7 Ų35.74%0.04318%0.18CC..EExtended strand (participates in β ladder)trans-99.3120.7174-177-79.5000109.3K279 H280 N281 I282 Y284 E330 D331N277-K279 PolarHBondContact OD1-N 3Å; N277-H280 WeakPolarHBondContact OD1-CB 3.38Å; N277-H280 PolarHBondContact OD1-N 2.85Å; N277-N281 CarbonylContact O-C 3.5Å; N277-N281 VanDerWaalsContact O-CA 3.28Å; N277-N281 WeakPolarHBondContact O-CA 3.32Å; N277-N281 PolarHBondContact O-N 2.81Å; N277-I282 HydrophobicContact CB-CB 4.23Å; N277-I282 PolarHBondContact N-O 2.81Å; N277-I282 PolarHBondContact O-N 2.6Å; N277-Y284 HydrophobicContact CB-CE2 4.19Å; N277-E330 WeakPolarHBondContact CA-O 3.48Å; N277-E330 PolarHBondContact ND2-O 3.27Å; N277-D331 VanDerWaalsContact CB-OD1 3.27Å; N277-D331 WeakPolarHBondContact CB-OD1 3.34Å; N277-D331 PolarHBondContact ND2-OD1 2.79Å
278T96.3Very high97.6Very high29 Ų2937.4 Ų37.418%0.17819%0.194CC..THydrogen-bonded Turntrans-77.6-45.6-174.152.10000111.4H280 N281 L328 P329 E330T278-H280 PolarHBondContact O-N 3.32Å; T278-N281 PolarHBondContact O-N 2.94Å; T278-L328 HydrophobicContact CG2-CB 4.02Å; T278-L328 HydrophobicContact CG2-CD1 4.42Å; T278-P329 WeakPolarHBondContact CG2-O 3.46Å; T278-P329 PolarHBondContact OG1-O 3.13Å; T278-E330 PolarHBondContact N-O 3.36Å; T278-E330 WeakPolarHBondContact OG1-CA 3.46Å; T278-E330 PolarHBondContact OG1-O 3.14Å
279K96.4Very high97.6Very high138 Ų13835.2 Ų35.260%0.618%0.181SC*.THydrogen-bonded Turntrans-59.1-47.2-177.9-176.9-178.4-176173.20114.2N277 E330N277-K279 PolarHBondContact OD1-N 3Å; K279-E330 HydrophobicContact CB-CG 4.19Å; K279-E330 HydrophobicContact CD-CG 4.35Å; K279-E330 WeakPolarHBondContact CD-OE1 3.22Å; K279-E330 IonicContact NZ-OE1 3.42Å; K279-E330 PolarHBondContact NZ-OE1 3.29Å; K279-E330 VanDerWaalsContact NZ-OE1 3.13Å
280H97.3Very high97.6Very high100 Ų10030.2 Ų30.246%0.46316%0.163SC..THydrogen-bonded Turntrans-97.50.6-179.3-63.4-58.8000113.3N277 T278 I282N277-H280 WeakPolarHBondContact OD1-CB 3.38Å; N277-H280 PolarHBondContact OD1-N 2.85Å; T278-H280 PolarHBondContact O-N 3.32Å; H280-I282 HydrophobicContact CB-CD1 3.76Å; H280-I282 HydrophobicContact CB-CG1 3.87Å
281N97.5Very high97.7Very high37 Ų3729.5 Ų29.520%0.19816%0.156CC..THydrogen-bonded Turntrans53.152-176.4-74.2-71.3000112.8Q123 V124 A195 N277 T278Q123-N281 CarbonylContact C-O 3.58Å; Q123-N281 WeakPolarHBondContact CA-O 3.37Å; V124-N281 HydrophobicContact CB-CB 4.21Å; V124-N281 PolarHBondContact N-O 3.28Å; V124-N281 WeakPolarHBondContact O-CB 3.27Å; A195-N281 VanDerWaalsContact CB-C 3.44Å; A195-N281 HydrophobicContact CB-CB 3.93Å; A195-N281 PolarHBondContact N-OD1 3.06Å; A195-N281 VanDerWaalsContact N-OD1 3.12Å; N277-N281 CarbonylContact O-C 3.5Å; N277-N281 VanDerWaalsContact O-CA 3.28Å; N277-N281 WeakPolarHBondContact O-CA 3.32Å; N277-N281 PolarHBondContact O-N 2.81Å; T278-N281 PolarHBondContact O-N 2.94Å
282I98.3Very high97.7Very high17 Ų1734 Ų349%0.08718%0.176CC..EExtended strand (participates in β ladder)trans-111.3131.7-177.6-56.6175.9000110.7L104 L121 L122 Q123 V276 N277 H280 Y284L104-I282 HydrophobicContact CD1-CD1 4.09Å; L121-I282 HydrophobicContact CB-CG2 4.07Å; L121-I282 HydrophobicContact CD2-CG2 4.49Å; L122-I282 WeakPolarHBondContact O-CA 3.31Å; Q123-I282 HydrophobicContact CB-CG1 4.28Å; Q123-I282 HydrophobicContact CG-CG1 4.13Å; V276-I282 WeakPolarHBondContact CA-O 3.39Å; N277-I282 HydrophobicContact CB-CB 4.23Å; N277-I282 PolarHBondContact N-O 2.81Å; N277-I282 PolarHBondContact O-N 2.6Å; H280-I282 HydrophobicContact CB-CD1 3.76Å; H280-I282 HydrophobicContact CB-CG1 3.87Å; I282-Y284 HydrophobicContact CB-CE2 4.05Å; I282-Y284 HydrophobicContact CG2-CD2 4.1Å; I282-Y284 HydrophobicContact CG2-CE2 3.63Å
283I98.3Very high97.7Very high0 Ų039.6 Ų39.60%020%0.201CC..EExtended strand (participates in β ladder)trans-107.9127.9175.2-51.6164.4000108.4L99 L122 V124 A195 F198 V273 V285 I299L99-I283 HydrophobicContact CD1-CD1 4.1Å; L122-I283 HydrophobicContact CB-CB 4.43Å; L122-I283 PolarHBondContact N-O 2.73Å; L122-I283 PolarHBondContact O-N 3.33Å; V124-I283 HydrophobicContact CG2-CD1 3.88Å; V124-I283 HydrophobicContact CG2-CG1 4.49Å; A195-I283 HydrophobicContact CB-CD1 4.36Å; A195-I283 HydrophobicContact CB-CG1 3.84Å; F198-I283 HydrophobicContact CD2-CD1 3.6Å; F198-I283 HydrophobicContact CE2-CD1 4.14Å; V273-I283 HydrophobicContact CG1-CG2 3.8Å; V273-I283 HydrophobicContact CG2-CG2 4.2Å; I283-V285 HydrophobicContact CG2-CG2 3.75Å; I283-I299 HydrophobicContact CD1-CD1 3.99Å
284Y98.4Very high97.7Very high19 Ų1944.5 Ų44.58%0.07523%0.227CC..EExtended strand (participates in β ladder)trans-100.3100.9179.2-63.9-107.5000108.9M107 V119 L121 W274 R275 N277 I282M107-Y284 HydrophobicContact SD-CD1 3.9Å; M107-Y284 HydrophobicContact SD-CE1 3.49Å; M107-Y284 WeakPolarHBondContact SD-CE1 3.47Å; V119-Y284 HydrophobicContact CG2-CD1 4.22Å; L121-Y284 HydrophobicContact CD2-CD1 4.45Å; L121-Y284 HydrophobicContact CD2-CE1 3.73Å; L121-Y284 HydrophobicContact CG-CD1 4.05Å; L121-Y284 HydrophobicContact CG-CE1 3.84Å; W274-Y284 PolarHBondContact N-O 3.07Å; R275-Y284 HydrophobicContact CB-CD2 3.84Å; R275-Y284 HydrophobicContact CB-CG 3.98Å; R275-Y284 HydrophobicContact CG-CD2 3.83Å; R275-Y284 HydrophobicContact CG-CE2 4.12Å; R275-Y284 HydrophobicContact CG-CG 4.38Å; R275-Y284 WeakPolarHBondContact O-CB 3.44Å; R275-Y284 WeakPolarHBondContact O-CD2 3.42Å; R275-Y284 PolarHBondContact O-N 2.97Å; N277-Y284 HydrophobicContact CB-CE2 4.19Å; I282-Y284 HydrophobicContact CB-CE2 4.05Å; I282-Y284 HydrophobicContact CG2-CD2 4.1Å; I282-Y284 HydrophobicContact CG2-CE2 3.63Å
285V98.4Very high97.6Very high0 Ų044.4 Ų44.40%023%0.228CC..EExtended strand (participates in β ladder)trans-100.5137.5-174.7179.20000110.3V119 T120 L122 V204 V206 L271 I283V119-V285 CarbonylContact C-O 3.58Å; V119-V285 VanDerWaalsContact CA-O 3.29Å; V119-V285 WeakPolarHBondContact CA-O 3.37Å; T120-V285 PolarHBondContact N-O 3.46Å; T120-V285 PolarHBondContact O-N 2.81Å; L122-V285 HydrophobicContact CD1-CB 4.26Å; L122-V285 HydrophobicContact CD1-CG2 3.65Å; L122-V285 HydrophobicContact CG-CG2 4.34Å; V204-V285 HydrophobicContact CG2-CG1 4.07Å; V204-V285 HydrophobicContact CG2-CG2 4.16Å; V206-V285 HydrophobicContact CG2-CG1 4.49Å; L271-V285 HydrophobicContact CB-CG1 3.34Å; L271-V285 HydrophobicContact CD1-CG1 3.7Å; L271-V285 HydrophobicContact CG-CG1 4.15Å; I283-V285 HydrophobicContact CG2-CG2 3.75Å
286N98.1Very high97.7Very high45 Ų4543.6 Ų43.624%0.24123%0.227CC..EExtended strand (participates in β ladder)trans-60.1142.9178.3-168.735.2000112.3L271 K272 W274L271-N286 WeakPolarHBondContact CD2-O 3.33Å; K272-N286 HydrophobicContact CB-CB 4.24Å; K272-N286 VanDerWaalsContact O-CB 3.3Å; K272-N286 WeakPolarHBondContact O-CB 3.46Å; K272-N286 PolarHBondContact O-N 2.97Å; W274-N286 PolarHBondContact NE1-OD1 2.89Å
287G97.4Very high97.7Very high22 Ų2243.8 Ų43.823%0.22723%0.228CC..SBendtrans69.9-157.3173.100000114.5A118 T120A118-G287 VanDerWaalsContact O-CA 3.3Å; A118-G287 WeakPolarHBondContact O-CA 3.22Å; A118-G287 PolarHBondContact O-N 3.44Å; T120-G287 PolarHBondContact OG1-O 2.99Å
288S97.6Very high97.7Very high78 Ų7845.4 Ų45.455%0.54523%0.234SC..PPolyproline II helixtrans-101133.4-175.6-64.60000111.9M106M106-S288 WeakPolarHBondContact CE-OG 3.34Å
289V97.9Very high97.8Very high5 Ų544 Ų443%0.0323%0.226CC..PPolyproline II helixtrans-97.4140.9173.5173.10000110.8K103 T120 L122 V206 L271 V297K103-V289 HydrophobicContact CD-CB 4.37Å; K103-V289 HydrophobicContact CD-CG1 4.44Å; K103-V289 PolarHBondContact NZ-O 3.4Å; T120-V289 HydrophobicContact CG2-CB 4.08Å; T120-V289 HydrophobicContact CG2-CG2 3.92Å; L122-V289 HydrophobicContact CD1-CG2 4.38Å; L122-V289 HydrophobicContact CD2-CG2 4.43Å; V206-V289 HydrophobicContact CB-CG1 4.2Å; V206-V289 HydrophobicContact CB-CG2 4.38Å; V206-V289 HydrophobicContact CG1-CB 4.47Å; V206-V289 HydrophobicContact CG1-CG1 3.41Å; V206-V289 VanDerWaalsContact CG1-CG1 3.41Å; V206-V289 HydrophobicContact CG1-CG2 4.24Å; V206-V289 HydrophobicContact CG2-CG2 4.4Å; L271-V289 HydrophobicContact CD1-CG2 4.2Å; V289-V297 HydrophobicContact CG1-CB 4.49Å; V289-V297 HydrophobicContact CG1-CG1 3.97Å
290P98Very high97.8Very high16 Ų1640.2 Ų40.210%0.10421%0.209CC..SBendtrans-60.2146.8175.921.1-31.5000112.4A208 T210 R266 V268A208-P290 HydrophobicContact CB-CB 4.37Å; A208-P290 HydrophobicContact CB-CG 4.07Å; A208-P290 VanDerWaalsContact CB-O 3.27Å; A208-P290 WeakPolarHBondContact CB-O 3.47Å; T210-P290 HydrophobicContact CG2-CB 4.07Å; R266-P290 WeakPolarHBondContact O-CG 3.3Å; V268-P290 HydrophobicContact CG2-CG 4.2Å
291G97.5Very high97.8Very high7 Ų736.5 Ų36.57%0.07219%0.193CC..SBendtrans103.5164.8176.400000114.7K103 K209K103-G291 PolarHBondContact NZ-O 3.05Å; K209-G291 WeakPolarHBondContact O-CA 3.36Å
292H98.2Very high97.8Very high109 Ų10935.2 Ų35.251%0.50519%0.187SC..  trans-75.6167.1179.56285.3000111.4I211 C295I211-H292 HydrophobicContact CG1-CB 4.21Å; H292-C295 WeakPolarHBondContact O-CB 3.09Å; H292-C295 PolarHBondContact O-N 3.28Å; H292-C295 PolarHBondContact O-SG 2.73Å
293K97.8Very high97.6Very high149 Ų14937.9 Ų37.965%0.64820%0.204SC*.THydrogen-bonded Turntrans-60.8144.3170.3-63.9-175.6-179.5-177.70109.9C295K293-C295 VanDerWaalsContact C-N 3.26Å; K293-C295 PolarHBondContact O-N 2.85Å
294N97.2Very high97.5Very high103 Ų10340.9 Ų40.955%0.55122%0.22SC*.THydrogen-bonded Turntrans64.417.9-173.6-54-25.9000115.8L102 K103L102-N294 HydrophobicContact CD2-CB 4.38Å; K103-N294 WeakPolarHBondContact O-CA 3.3Å; K103-N294 PolarHBondContact O-N 3.33Å
295C97.2Very high97.4Very high12 Ų1245.6 Ų45.68%0.08125%0.253CS..  trans-83.4152.1170.478.50000111.4L102 K103 H292 K293L102-C295 WeakPolarHBondContact CA-O 3.17Å; K103-C295 PolarHBondContact N-O 2.8Å; H292-C295 WeakPolarHBondContact O-CB 3.09Å; H292-C295 PolarHBondContact O-N 3.28Å; H292-C295 PolarHBondContact O-SG 2.73Å; K293-C295 VanDerWaalsContact C-N 3.26Å; K293-C295 PolarHBondContact O-N 2.85Å
296L97.6Very high97.2Very high22 Ų2249.8 Ų49.812%0.11529%0.287CS..EExtended strand (participates in β ladder)trans-85133.4174-71.9167.1000110.5I100 A101 L102 K150 Q174 I175I100-L296 HydrophobicContact CG2-CB 4.44Å; I100-L296 HydrophobicContact CG2-CD2 4.09Å; A101-L296 CarbonylContact O-C 3.52Å; A101-L296 VanDerWaalsContact O-CA 3.31Å; A101-L296 WeakPolarHBondContact O-CA 3.4Å; L102-L296 HydrophobicContact CB-CD2 4.33Å; K150-L296 HydrophobicContact CB-CD1 4.12Å; K150-L296 HydrophobicContact CB-CD2 3.83Å; K150-L296 HydrophobicContact CD-CD1 4.33Å; K150-L296 HydrophobicContact CD-CD2 4.34Å; Q174-L296 HydrophobicContact CB-CD1 3.73Å; Q174-L296 HydrophobicContact CG-CD1 3.97Å; I175-L296 HydrophobicContact CB-CD1 4.02Å; I175-L296 HydrophobicContact CD1-CB 3.65Å; I175-L296 HydrophobicContact CD1-CD1 3.68Å; I175-L296 HydrophobicContact CD1-CG 4.31Å; I175-L296 HydrophobicContact CG1-CB 4.46Å; I175-L296 HydrophobicContact CG1-CD1 3.64Å
297V98Very high96.9Very high3 Ų350.8 Ų50.82%0.01829%0.288CS..EExtended strand (participates in β ladder)trans-124146.6-175.4-52.40000110.3I100 A101 K103 L122 V206 A208 V289 I299I100-V297 WeakPolarHBondContact CA-O 3.48Å; A101-V297 HydrophobicContact CB-CG2 4.03Å; A101-V297 PolarHBondContact N-O 3.22Å; A101-V297 WeakPolarHBondContact O-CG2 3.25Å; A101-V297 PolarHBondContact O-N 2.9Å; K103-V297 HydrophobicContact CB-CG1 4.1Å; L122-V297 HydrophobicContact CD1-CG2 4.18Å; L122-V297 HydrophobicContact CD2-CG2 3.87Å; V206-V297 HydrophobicContact CG1-CB 3.89Å; V206-V297 HydrophobicContact CG1-CG2 4.03Å; A208-V297 HydrophobicContact CB-CB 4.14Å; A208-V297 HydrophobicContact CB-CG1 3.72Å; V289-V297 HydrophobicContact CG1-CB 4.49Å; V289-V297 HydrophobicContact CG1-CG1 3.97Å; V297-I299 HydrophobicContact CG2-CD1 4.43Å; V297-I299 HydrophobicContact CG2-CG1 4.1Å
298K98.3Very high96.5Very high42 Ų4256.2 Ų56.218%0.18331%0.306CS..EExtended strand (participates in β ladder)trans-97.5121.2174.4-177.7-171.5174.9177.90108.2K177 I178 F179 V206 T207K177-K298 HydrophobicContact CB-CD 4.1Å; K177-K298 HydrophobicContact CB-CG 4.26Å; K177-K298 HydrophobicContact CD-CD 4.39Å; K177-K298 HydrophobicContact CG-CB 4.21Å; K177-K298 HydrophobicContact CG-CD 4.24Å; K177-K298 HydrophobicContact CG-CG 4.24Å; I178-K298 PolarHBondContact O-NZ 2.91Å; F179-K298 VanDerWaalsContact CD1-CE 3.44Å; F179-K298 HydrophobicContact CE1-CD 4.04Å; F179-K298 HydrophobicContact CE1-CG 3.61Å; F179-K298 HydrophobicContact CE2-CG 4.4Å; F179-K298 HydrophobicContact CZ-CD 4.12Å; F179-K298 HydrophobicContact CZ-CG 3.47Å; F179-K298 VanDerWaalsContact CZ-CG 3.47Å; V206-K298 CarbonylContact C-O 3.57Å; V206-K298 WeakPolarHBondContact CA-O 3.4Å; T207-K298 PolarHBondContact N-O 3.22Å; T207-K298 PolarHBondContact O-N 2.86Å
299I98.3Very high95.9Very high0 Ų057.1 Ų57.10%030%0.304CS..EExtended strand (participates in β ladder)trans-111.9135.2178.1-48.7173.1000108.1G98 L99 A101 L122 F179 F198 V204 V206 I283 V297G98-I299 CarbonylContact C-O 3.51Å; G98-I299 VanDerWaalsContact CA-O 3.28Å; G98-I299 WeakPolarHBondContact CA-O 3.46Å; L99-I299 PolarHBondContact N-O 2.93Å; L99-I299 PolarHBondContact O-N 2.84Å; A101-I299 HydrophobicContact CB-CD1 3.6Å; A101-I299 HydrophobicContact CB-CG1 4.41Å; L122-I299 HydrophobicContact CB-CD1 4.08Å; L122-I299 HydrophobicContact CD1-CD1 3.47Å; L122-I299 VanDerWaalsContact CD1-CD1 3.47Å; L122-I299 HydrophobicContact CD1-CG1 4.02Å; L122-I299 HydrophobicContact CG-CD1 4.4Å; F179-I299 VanDerWaalsContact CE1-O 3.32Å; F179-I299 WeakPolarHBondContact CE1-O 3.27Å; F198-I299 HydrophobicContact CD2-CG2 4.48Å; F198-I299 HydrophobicContact CE1-CG2 4.2Å; F198-I299 HydrophobicContact CE2-CB 4.13Å; F198-I299 HydrophobicContact CE2-CG2 3.66Å; F198-I299 HydrophobicContact CZ-CB 4.13Å; F198-I299 HydrophobicContact CZ-CG2 3.51Å; V204-I299 HydrophobicContact CB-CG2 3.93Å; V204-I299 HydrophobicContact CG1-CG2 4.21Å; V204-I299 HydrophobicContact CG2-CG2 4.12Å; V206-I299 HydrophobicContact CG1-CG1 4.42Å; V206-I299 HydrophobicContact CG2-CG1 4.4Å; V206-I299 HydrophobicContact CG2-CG2 4.4Å; I283-I299 HydrophobicContact CD1-CD1 3.99Å; V297-I299 HydrophobicContact CG2-CD1 4.43Å; V297-I299 HydrophobicContact CG2-CG1 4.1Å
300K97.2Very high95.3Very high58 Ų5859 Ų5925%0.25232%0.318SS..EExtended strand (participates in β ladder)trans-144.4167172.358.4167.4-170.31600109.5F179 V204 D205F179-K300 HydrophobicContact CD1-CB 4.33Å; F179-K300 HydrophobicContact CE1-CB 4.13Å; V204-K300 CarbonylContact C-O 3.49Å; V204-K300 VanDerWaalsContact CA-O 3.32Å; V204-K300 WeakPolarHBondContact CA-O 3.04Å; V204-K300 WeakPolarHBondContact CB-O 3.29Å; D205-K300 HydrophobicContact CB-CG 4.03Å; D205-K300 PolarHBondContact N-O 3.4Å; D205-K300 PolarHBondContact O-N 2.99Å; D205-K300 VanDerWaalsContact O-N 3.1Å; D205-K300 IonicContact OD2-NZ 3.48Å
301D97.2Very high94.5Very high22 Ų2258.9 Ų58.912%0.11832%0.317CS..EExtended strand (participates in β ladder)trans-57.8148.4170.1-57.6-22.2000111.1R96 F198 Q202 T303 C311R96-D301 WeakPolarHBondContact CG-OD2 3.4Å; R96-D301 IonicContact CZ-OD1 3.47Å; R96-D301 IonicContact CZ-OD2 3.69Å; R96-D301 IonicContact NE-OD1 2.8Å; R96-D301 PolarHBondContact NE-OD1 3.01Å; R96-D301 IonicContact NE-OD2 3.35Å; R96-D301 PolarHBondContact NE-OD2 3.19Å; R96-D301 IonicContact NH2-OD1 3.63Å; R96-D301 PolarHBondContact NH2-OD1 3.14Å; R96-D301 IonicContact NH2-OD2 3Å; F198-D301 VanDerWaalsContact CE1-OD1 3.29Å; F198-D301 WeakPolarHBondContact CE1-OD1 3.16Å; Q202-D301 PolarHBondContact NE2-OD1 3.29Å; D301-T303 PolarHBondContact O-N 3.41Å; D301-C311 PolarHBondContact OD2-SG 2.93Å; D301-C311 VanDerWaalsContact OD2-SG 3.4Å
302S96.7Very high94.1Very high11 Ų1165.1 Ų65.18%0.07734%0.342CS..  trans-64.4132.8-178.1167.80000111.9Y203 D205 L304 Y307Y203-S302 VanDerWaalsContact O-CB 3.27Å; Y203-S302 WeakPolarHBondContact O-CB 3.22Å; Y203-S302 PolarHBondContact O-N 3.3Å; D205-S302 WeakPolarHBondContact OD1-CA 3.21Å; S302-L304 PolarHBondContact OG-N 2.65Å; S302-Y307 WeakPolarHBondContact OG-CD2 3.48Å
303T94.8Very high93.7Very high73 Ų7366.9 Ų66.945%0.44836%0.355SS..  trans-89.8-0175.946.40000114.2D205 D301D205-T303 PolarHBondContact OD2-N 2.9Å; D205-T303 PolarHBondContact OD2-OG1 3.18Å; D301-T303 PolarHBondContact O-N 3.41Å
304L96.5Very high93.5Very high63 Ų6361 Ų6133%0.3333%0.331SS..SBendtrans-65.5137.3177.3-62.9175.5000111.2S302 A306 Y307S302-L304 PolarHBondContact OG-N 2.65Å; L304-A306 PolarHBondContact O-N 3.13Å; L304-A306 VanDerWaalsContact O-N 3.13Å; L304-Y307 HydrophobicContact CB-CD2 4Å; L304-Y307 HydrophobicContact CB-CE2 4.39Å; L304-Y307 HydrophobicContact CD1-CD2 4.34Å; L304-Y307 HydrophobicContact CD1-CE2 4.03Å; L304-Y307 PolarHBondContact O-N 3.4Å
305P94.7Very high93.4Very high118 Ų11857.2 Ų57.277%0.76631%0.312SS*.G310 helixtrans-55.1-34.3-177.3-27.834.9000114.6Y307 K308P305-Y307 PolarHBondContact O-N 3.06Å; P305-Y307 VanDerWaalsContact O-N 3.14Å; P305-K308 PolarHBondContact O-N 3.28Å
306A95Very high93.2Very high87 Ų8758.4 Ų58.472%0.71932%0.315SS*.G310 helixtrans-61.1-21.718000000114L304L304-A306 PolarHBondContact O-N 3.13Å; L304-A306 VanDerWaalsContact O-N 3.13Å
307Y92.9Very high92.9Very high67 Ų6757.5 Ų57.526%0.26331%0.311SS..G310 helixtrans-118.214.9-174.2-48.7-54.7000112.8Y203 S302 L304 P305 D309 S310Y203-Y307 HydrophobicContact CD1-CD2 4.34Å; Y203-Y307 HydrophobicContact CD1-CE1 4.36Å; Y203-Y307 AromaticContact CD1-CE2 3.7Å; Y203-Y307 HydrophobicContact CD1-CE2 3.7Å; Y203-Y307 AromaticContact CD1-CZ 3.7Å; Y203-Y307 AromaticContact CD2-CD1 3.7Å; Y203-Y307 HydrophobicContact CD2-CD1 3.7Å; Y203-Y307 HydrophobicContact CD2-CD2 4.25Å; Y203-Y307 AromaticContact CD2-CE1 3.53Å; Y203-Y307 HydrophobicContact CD2-CE1 3.53Å; Y203-Y307 HydrophobicContact CD2-CE2 4.11Å; Y203-Y307 HydrophobicContact CD2-CG 4.06Å; Y203-Y307 AromaticContact CD2-CZ 3.75Å; Y203-Y307 HydrophobicContact CE1-CE1 4.34Å; Y203-Y307 HydrophobicContact CE1-CE2 4.18Å; Y203-Y307 AromaticContact CE1-CZ 3.73Å; Y203-Y307 WeakPolarHBondContact CE1-OH 3.35Å; Y203-Y307 HydrophobicContact CE2-CD1 4.11Å; Y203-Y307 AromaticContact CE2-CE1 3.52Å; Y203-Y307 HydrophobicContact CE2-CE1 3.52Å; Y203-Y307 AromaticContact CE2-CZ 3.79Å; Y203-Y307 HydrophobicContact CG-CD1 4.16Å; Y203-Y307 AromaticContact CG-CD2 3.86Å; Y203-Y307 HydrophobicContact CG-CD2 3.86Å; Y203-Y307 AromaticContact CG-CE1 3.97Å; Y203-Y307 HydrophobicContact CG-CE1 3.97Å; Y203-Y307 AromaticContact CG-CE2 3.65Å; Y203-Y307 HydrophobicContact CG-CE2 3.65Å; Y203-Y307 HydrophobicContact CG-CG 4.11Å; Y203-Y307 AromaticContact CG-CZ 3.7Å; Y203-Y307 AromaticContact CZ-CE1 3.95Å; Y203-Y307 AromaticContact CZ-CZ 3.77Å; S302-Y307 WeakPolarHBondContact OG-CD2 3.48Å; L304-Y307 HydrophobicContact CB-CD2 4Å; L304-Y307 HydrophobicContact CB-CE2 4.39Å; L304-Y307 HydrophobicContact CD1-CD2 4.34Å; L304-Y307 HydrophobicContact CD1-CE2 4.03Å; L304-Y307 PolarHBondContact O-N 3.4Å; P305-Y307 PolarHBondContact O-N 3.06Å; P305-Y307 VanDerWaalsContact O-N 3.14Å; Y307-D309 VanDerWaalsContact C-N 3.32Å; Y307-D309 PolarHBondContact O-N 3Å; Y307-S310 VanDerWaalsContact O-CB 3.29Å; Y307-S310 WeakPolarHBondContact O-CB 3.44Å; Y307-S310 PolarHBondContact O-N 2.88Å; Y307-S310 VanDerWaalsContact O-N 3.13Å; Y307-S310 PolarHBondContact O-OG 2.81Å
308K88.4Confident92.8Very high136 Ų13657.6 Ų57.659%0.59131%0.312SS*.THydrogen-bonded Turntrans-56.3-42.2-171.9-170.9-177.9177.4-169.50113.3P305P305-K308 PolarHBondContact O-N 3.28Å
309D85.5Confident92.6Very high96 Ų9656.7 Ų56.751%0.51331%0.307SS..THydrogen-bonded Turntrans-99.711.1-177.2-57.1-40.4000113.1Y307 C311 K312Y307-D309 VanDerWaalsContact C-N 3.32Å; Y307-D309 PolarHBondContact O-N 3Å; D309-C311 PolarHBondContact O-N 3.22Å; D309-K312 PolarHBondContact O-N 3.16Å
310S84.2Confident92.4Very high46 Ų4658 Ų5832%0.32231%0.313SS..G310 helixtrans-65.3-10.3178.664.60000113.9Y307 K312Y307-S310 VanDerWaalsContact O-CB 3.29Å; Y307-S310 WeakPolarHBondContact O-CB 3.44Å; Y307-S310 PolarHBondContact O-N 2.88Å; Y307-S310 VanDerWaalsContact O-N 3.13Å; Y307-S310 PolarHBondContact O-OG 2.81Å; S310-K312 VanDerWaalsContact C-N 3.34Å
311C82.1Confident92.1Very high12 Ų1257.4 Ų57.48%0.08132%0.315CS..G310 helixtrans-81.6-7.7-178.2-62.30000114.7D301 D309 N313 L314D301-C311 PolarHBondContact OD2-SG 2.93Å; D301-C311 VanDerWaalsContact OD2-SG 3.4Å; D309-C311 PolarHBondContact O-N 3.22Å; C311-N313 VanDerWaalsContact C-N 3.29Å; C311-N313 PolarHBondContact O-N 3.04Å; C311-L314 HydrophobicContact CB-CD1 4.28Å; C311-L314 PolarHBondContact O-N 3.32Å
312K88.5Confident91.5Very high139 Ų13959.1 Ų59.160%0.60432%0.324SS*.G310 helixtrans-56.6-38.6-175.7-176.7-179.7176.4-175.50113.9W90 D309 S310W90-K312 HydrophobicContact CD2-CB 4.34Å; W90-K312 HydrophobicContact CE3-CB 4.08Å; W90-K312 HydrophobicContact CE3-CG 3.91Å; W90-K312 HydrophobicContact CH2-CB 3.88Å; W90-K312 HydrophobicContact CH2-CG 4.27Å; W90-K312 HydrophobicContact CZ2-CB 4.15Å; W90-K312 HydrophobicContact CZ3-CB 3.84Å; W90-K312 HydrophobicContact CZ3-CD 4.18Å; W90-K312 HydrophobicContact CZ3-CG 3.74Å; D309-K312 PolarHBondContact O-N 3.16Å; S310-K312 VanDerWaalsContact C-N 3.34Å
313N90.4Very high90.7Very high146 Ų14660.7 Ų60.778%0.78134%0.343SS*.G310 helixtrans-99.313.6-174.6-60.5-10.9000112.9C311C311-N313 VanDerWaalsContact C-N 3.29Å; C311-N313 PolarHBondContact O-N 3.04Å
314L93.8Very high90Very high25 Ų2561.1 Ų61.113%0.13134%0.342CS..SBendtrans-102.6157.7-175.9-56.9179000111R199 Q202 C311 F316R199-L314 HydrophobicContact CB-CD2 3.82Å; R199-L314 HydrophobicContact CG-CD2 3.95Å; Q202-L314 HydrophobicContact CG-CD1 3.88Å; C311-L314 HydrophobicContact CB-CD1 4.28Å; C311-L314 PolarHBondContact O-N 3.32Å; L314-F316 PolarHBondContact O-N 3.05Å
315P93.2Very high89Confident23 Ų2367.9 Ų67.915%0.14937%0.372CS..  trans-57.4126.7172-23.233.6000111R96R96-P315 PolarHBondContact NH1-O 3.2Å
316F93.9Very high88.6Confident37 Ų3770.1 Ų70.116%0.16237%0.372CS..SBendtrans-135.1128.9-178.6-172.4-93.3000109.3H88 P89 W90 R96 N184 A185 L314H88-F316 VanDerWaalsContact O-CD1 3.27Å; H88-F316 WeakPolarHBondContact O-CD1 3.48Å; H88-F316 WeakPolarHBondContact O-CE1 3.37Å; P89-F316 WeakPolarHBondContact O-CE1 3.45Å; W90-F316 HydrophobicContact CB-CB 4.32Å; W90-F316 HydrophobicContact CB-CD1 4.24Å; W90-F316 HydrophobicContact CB-CG 4.1Å; W90-F316 AromaticContact CD1-CD2 3.95Å; R96-F316 HydrophobicContact CB-CD2 4.13Å; R96-F316 HydrophobicContact CB-CE2 4.18Å; N184-F316 HydrophobicContact CB-CE1 4.42Å; N184-F316 HydrophobicContact CB-CZ 4.34Å; N184-F316 WeakPolarHBondContact ND2-CZ 3.5Å; N184-F316 VanDerWaalsContact O-CE1 3.3Å; N184-F316 WeakPolarHBondContact O-CE1 3.34Å; A185-F316 HydrophobicContact CB-CE1 4.48Å; A185-F316 HydrophobicContact CB-CE2 3.55Å; A185-F316 HydrophobicContact CB-CZ 3.47Å; A185-F316 VanDerWaalsContact CB-CZ 3.47Å; L314-F316 PolarHBondContact O-N 3.05Å
317P92.3Very high88.3Confident4 Ų474.8 Ų74.83%0.02638%0.379CS..SBendcis-74.7-23.7230.5-36.8000114.1L87 I187 F320L87-P317 HydrophobicContact CD2-CG 3.86Å; I187-P317 HydrophobicContact CD1-CB 4.19Å; I187-P317 HydrophobicContact CG1-CB 3.9Å; I187-P317 HydrophobicContact CG1-CG 4.14Å; P317-F320 HydrophobicContact CG-CE2 4.21Å; P317-F320 HydrophobicContact CG-CZ 4.38Å
318T94.9Very high88.3Confident5 Ų573 Ų733%0.03137%0.374CS..  trans-155.1174173.7-171.50000109.7I187 L193 H197 F320I187-T318 HydrophobicContact CD1-CG2 3.81Å; L193-T318 HydrophobicContact CD2-CG2 4.04Å; L193-T318 WeakPolarHBondContact CD2-OG1 3.44Å; H197-T318 PolarHBondContact ND1-OG1 3.42Å; T318-F320 HydrophobicContact CG2-CD1 4.3Å; T318-F320 HydrophobicContact CG2-CD2 4.35Å; T318-F320 HydrophobicContact CG2-CE1 3.78Å; T318-F320 HydrophobicContact CG2-CE2 3.84Å; T318-F320 HydrophobicContact CG2-CZ 3.53Å
319Y94.5Very high88.6Confident22 Ų2270.3 Ų70.39%0.08637%0.371CS..  trans-78.2132.1169.9173.9-105.8000111A196 P321 D324 L328A196-Y319 HydrophobicContact CB-CD1 3.53Å; A196-Y319 HydrophobicContact CB-CD2 4.4Å; A196-Y319 HydrophobicContact CB-CE1 3.76Å; A196-Y319 HydrophobicContact CB-CG 3.87Å; Y319-P321 HydrophobicContact CE1-CB 4.06Å; Y319-D324 WeakPolarHBondContact CE2-OD2 3.32Å; Y319-L328 HydrophobicContact CD2-CD1 4.23Å; Y319-L328 HydrophobicContact CE1-CD1 4.32Å; Y319-L328 HydrophobicContact CE2-CD1 3.46Å; Y319-L328 VanDerWaalsContact CE2-CD1 3.46Å; Y319-L328 HydrophobicContact CE2-CG 4.12Å
320F93.1Very high89Confident27 Ų2770.4 Ų70.412%0.11837%0.368CS..  trans-120.5110.2177.1-64.5-76.7000109.7P79 L80 L87 T191 P317 T318 D322 G323P79-F320 HydrophobicContact CB-CE1 4.46Å; P79-F320 HydrophobicContact CG-CD1 3.8Å; P79-F320 HydrophobicContact CG-CE1 4.11Å; L80-F320 HydrophobicContact CD1-CB 3.72Å; L80-F320 HydrophobicContact CD1-CG 4.1Å; L80-F320 HydrophobicContact CD2-CD1 3.97Å; L80-F320 HydrophobicContact CD2-CD2 4.22Å; L80-F320 HydrophobicContact CD2-CE1 4.14Å; L80-F320 HydrophobicContact CD2-CE2 4.39Å; L80-F320 HydrophobicContact CD2-CG 4Å; L80-F320 HydrophobicContact CD2-CZ 4.34Å; L80-F320 HydrophobicContact CG-CB 4.12Å; L80-F320 HydrophobicContact CG-CD1 4.01Å; L80-F320 HydrophobicContact CG-CG 4.06Å; L87-F320 HydrophobicContact CD2-CE2 4.11Å; L87-F320 HydrophobicContact CD2-CZ 4.32Å; T191-F320 HydrophobicContact CG2-CE1 3.97Å; P317-F320 HydrophobicContact CG-CE2 4.21Å; P317-F320 HydrophobicContact CG-CZ 4.38Å; T318-F320 HydrophobicContact CG2-CD1 4.3Å; T318-F320 HydrophobicContact CG2-CD2 4.35Å; T318-F320 HydrophobicContact CG2-CE1 3.78Å; T318-F320 HydrophobicContact CG2-CE2 3.84Å; T318-F320 HydrophobicContact CG2-CZ 3.53Å; F320-D322 VanDerWaalsContact C-N 3.27Å; F320-D322 PolarHBondContact O-N 3.11Å; F320-G323 PolarHBondContact O-N 3.39Å
321P90.7Very high89.6Confident47 Ų4770 Ų7031%0.30536%0.362SS..THydrogen-bonded Turntrans-64.9-29.4-178.625.9-34.1000113.2Y194 Y319 G323Y194-P321 HydrophobicContact CD2-CG 4.03Å; Y194-P321 HydrophobicContact CE2-CG 3.52Å; Y319-P321 HydrophobicContact CE1-CB 4.06Å; P321-G323 VanDerWaalsContact C-N 3.3Å; P321-G323 PolarHBondContact O-N 3.36Å
322D86Confident90.2Very high57 Ų5770.6 Ų70.631%0.30537%0.365SS..THydrogen-bonded Turntrans-78.6-13.6-178-32.5-41.5000114N78 P79 F320N78-D322 WeakPolarHBondContact CA-OD2 3.37Å; N78-D322 PolarHBondContact OD1-OD1 3.45Å; P79-D322 WeakPolarHBondContact CD-OD2 3.39Å; F320-D322 VanDerWaalsContact C-N 3.27Å; F320-D322 PolarHBondContact O-N 3.11Å
323G80.1Confident90.6Very high45 Ų4566.2 Ų66.246%0.46435%0.346SS..THydrogen-bonded Turntrans-96.5-23-173.100000113.8L80 F320 P321L80-G323 VanDerWaalsContact CD1-CA 3.47Å; F320-G323 PolarHBondContact O-N 3.39Å; P321-G323 VanDerWaalsContact C-N 3.3Å; P321-G323 PolarHBondContact O-N 3.36Å
324D79.2Confident90.9Very high82 Ų8260.3 Ų60.344%0.43931%0.314SS..  trans-86.2131.3178.9-68.6-22.2000109.3Y319 E326Y319-D324 WeakPolarHBondContact CE2-OD2 3.32Å; D324-E326 PolarHBondContact O-N 2.65Å
325E75.1Confident91Very high204 Ų20467.7 Ų67.795%0.95335%0.348SS*.SBendtrans-67.4-26.1177.3-64-178.3179.700112
326E86.8Confident91Very high165 Ų16568.2 Ų68.277%0.77135%0.352SS*.SBendtrans-111.3127.8-177.6-65.2-176.4177.400111.6D324D324-E326 PolarHBondContact O-N 2.65Å
327E88.6Confident91.1Very high185 Ų18566.5 Ų66.586%0.86435%0.345SS*.PPolyproline II helixtrans-71131.7172.4-168.3176.8179.400110.3
328L93.1Very high91.2Very high29 Ų2969.7 Ų69.715%0.15236%0.356CS..PPolyproline II helixtrans-65.5145.9177-66.5175.8000110.9A196 T278 Y319 L332A196-L328 HydrophobicContact CB-CD1 3.91Å; T278-L328 HydrophobicContact CG2-CB 4.02Å; T278-L328 HydrophobicContact CG2-CD1 4.42Å; Y319-L328 HydrophobicContact CD2-CD1 4.23Å; Y319-L328 HydrophobicContact CE1-CD1 4.32Å; Y319-L328 HydrophobicContact CE2-CD1 3.46Å; Y319-L328 VanDerWaalsContact CE2-CD1 3.46Å; Y319-L328 HydrophobicContact CE2-CG 4.12Å; L328-L332 HydrophobicContact CD1-CD1 4.34Å
329P94.2Very high91.1Very high81 Ų8172.6 Ų72.653%0.52637%0.369SS..PPolyproline II helixtrans-51.4154.9171.5-27.133.7000113.3T278 D331 L332T278-P329 WeakPolarHBondContact CG2-O 3.46Å; T278-P329 PolarHBondContact OG1-O 3.13Å; P329-D331 PolarHBondContact O-N 3.06Å; P329-L332 HydrophobicContact CB-CD2 4.39Å; P329-L332 HydrophobicContact CG-CD2 4.27Å
330E94.5Very high90.9Very high98 Ų9875.8 Ų75.846%0.45839%0.393SS..SBendtrans-56-36.5179.4-177.2168.6-162.200112N277 T278 K279N277-E330 WeakPolarHBondContact CA-O 3.48Å; N277-E330 PolarHBondContact ND2-O 3.27Å; T278-E330 PolarHBondContact N-O 3.36Å; T278-E330 WeakPolarHBondContact OG1-CA 3.46Å; T278-E330 PolarHBondContact OG1-O 3.14Å; K279-E330 HydrophobicContact CB-CG 4.19Å; K279-E330 HydrophobicContact CD-CG 4.35Å; K279-E330 WeakPolarHBondContact CD-OE1 3.22Å; K279-E330 IonicContact NZ-OE1 3.42Å; K279-E330 PolarHBondContact NZ-OE1 3.29Å; K279-E330 VanDerWaalsContact NZ-OE1 3.13Å
331D95.7Very high90.8Very high36 Ų3679.4 Ų79.419%0.19342%0.421CS..EExtended strand (participates in β ladder)trans-132.4126.4177.1-72.7-63.4000111.8R275 N277 P329 F333R275-D331 IonicContact CZ-OD1 2.83Å; R275-D331 VanDerWaalsContact CZ-OD1 3.22Å; R275-D331 IonicContact CZ-OD2 2.77Å; R275-D331 VanDerWaalsContact NE-CG 3.3Å; R275-D331 IonicContact NE-OD1 3.85Å; R275-D331 PolarHBondContact NE-OD1 3.13Å; R275-D331 IonicContact NE-OD2 3.55Å; R275-D331 IonicContact NH2-OD1 2.63Å; R275-D331 PolarHBondContact NH2-OD1 3.09Å; R275-D331 IonicContact NH2-OD2 3.36Å; R275-D331 PolarHBondContact NH2-OD2 3.12Å; N277-D331 VanDerWaalsContact CB-OD1 3.27Å; N277-D331 WeakPolarHBondContact CB-OD1 3.34Å; N277-D331 PolarHBondContact ND2-OD1 2.79Å; P329-D331 PolarHBondContact O-N 3.06Å; D331-F333 HydrophobicContact CB-CD2 4.16Å; D331-F333 HydrophobicContact CB-CE2 3.43Å; D331-F333 VanDerWaalsContact CB-CE2 3.43Å; D331-F333 HydrophobicContact CB-CZ 3.76Å
332L96.2Very high90.8Very high26 Ų2679.6 Ų79.614%0.13642%0.418CS..EExtended strand (participates in β ladder)trans-98120.4169.4-56.4176000108.3P200 R275 V276 L328 P329P200-L332 HydrophobicContact CG-CB 3.59Å; P200-L332 VanDerWaalsContact CG-O 3.26Å; P200-L332 WeakPolarHBondContact CG-O 3.48Å; R275-L332 CarbonylContact C-O 3.59Å; R275-L332 WeakPolarHBondContact CA-O 3.47Å; R275-L332 WeakPolarHBondContact CG-O 3.29Å; V276-L332 HydrophobicContact CB-CB 4.45Å; V276-L332 PolarHBondContact N-O 2.79Å; V276-L332 PolarHBondContact O-N 3.27Å; L328-L332 HydrophobicContact CD1-CD1 4.34Å; P329-L332 HydrophobicContact CB-CD2 4.39Å; P329-L332 HydrophobicContact CG-CD2 4.27Å
333F96.7Very high91.2Very high47 Ų4782.2 Ų82.221%0.20644%0.438CS..EExtended strand (participates in β ladder)trans-105.9147.2177.5-63-90000110.9R275 D331 V337 Q339R275-F333 HydrophobicContact CB-CD1 4.32Å; R275-F333 VanDerWaalsContact CD-CE1 3.48Å; R275-F333 HydrophobicContact CG-CD1 4.05Å; R275-F333 HydrophobicContact CG-CE1 4.05Å; D331-F333 HydrophobicContact CB-CD2 4.16Å; D331-F333 HydrophobicContact CB-CE2 3.43Å; D331-F333 VanDerWaalsContact CB-CE2 3.43Å; D331-F333 HydrophobicContact CB-CZ 3.76Å; F333-V337 HydrophobicContact CD1-CG1 3.91Å; F333-Q339 HydrophobicContact CB-CG 4.42Å; F333-Q339 HydrophobicContact CD1-CG 4.27Å; F333-Q339 HydrophobicContact CD2-CG 4.02Å; F333-Q339 HydrophobicContact CE2-CG 4.33Å; F333-Q339 HydrophobicContact CG-CG 4Å
334D96.4Very high91.8Very high22 Ų2285 Ų8512%0.11845%0.451CS..  trans-71.4146.7164.9175.697.3000109.8P200 G201 K272 W274 S336 V337P200-D334 HydrophobicContact CB-CB 3.86Å; G201-D334 WeakPolarHBondContact CA-OD1 3.17Å; G201-D334 PolarHBondContact N-OD1 3.15Å; K272-D334 WeakPolarHBondContact CE-OD1 3.48Å; K272-D334 IonicContact NZ-OD1 3.46Å; K272-D334 PolarHBondContact NZ-OD1 3.07Å; K272-D334 IonicContact NZ-OD2 2.66Å; K272-D334 PolarHBondContact NZ-OD2 2.77Å; W274-D334 HydrophobicContact CE3-CB 4.16Å; W274-D334 WeakPolarHBondContact O-CB 3.39Å; W274-D334 PolarHBondContact O-N 2.78Å; D334-S336 PolarHBondContact O-N 2.71Å; D334-S336 PolarHBondContact OD2-N 3.32Å; D334-S336 PolarHBondContact OD2-OG 3.45Å; D334-V337 HydrophobicContact CB-CG2 3.95Å; D334-V337 WeakPolarHBondContact O-CB 3.11Å; D334-V337 PolarHBondContact O-N 3.2Å
335E95.5Very high92.4Very high179 Ų17984.2 Ų84.284%0.83645%0.446SS*.THydrogen-bonded Turntrans-53.9-34.1-172.6-65.1173.4-176.400113.5K112K112-E335 WeakPolarHBondContact CD-O 3.39Å; K112-E335 WeakPolarHBondContact CE-O 3.44Å; K112-E335 PolarHBondContact NZ-O 3.02Å
336S94.5Very high93.2Very high34 Ų3480.2 Ų80.224%0.23844%0.435CS..THydrogen-bonded Turntrans-84.1-7.4-177.462.40000113.9T111 K112 W274 D334T111-S336 CarbonylContact C-O 3.57Å; T111-S336 VanDerWaalsContact CA-O 3.29Å; T111-S336 WeakPolarHBondContact CA-O 3.37Å; T111-S336 WeakPolarHBondContact CG2-O 3.37Å; K112-S336 PolarHBondContact N-O 3.36Å; W274-S336 VanDerWaalsContact CZ3-OG 3.25Å; W274-S336 WeakPolarHBondContact CZ3-OG 3.49Å; D334-S336 PolarHBondContact O-N 2.71Å; D334-S336 PolarHBondContact OD2-N 3.32Å; D334-S336 PolarHBondContact OD2-OG 3.45Å
337V95.8Very high93.5Very high2 Ų279.7 Ų79.71%0.01243%0.431CS..BIsolated β-bridgetrans-79.2131.1179177.50000110.5L109 K112 W274 F333 D334 Q339L109-V337 HydrophobicContact CD1-CG1 4.07Å; L109-V337 HydrophobicContact CD1-CG2 4.49Å; L109-V337 HydrophobicContact CD2-CG1 3.98Å; L109-V337 HydrophobicContact CD2-CG2 4.03Å; L109-V337 HydrophobicContact CG-CG1 4.17Å; K112-V337 VanDerWaalsContact CE-O 3.27Å; K112-V337 WeakPolarHBondContact CE-O 3.32Å; W274-V337 HydrophobicContact CB-CG2 4.27Å; W274-V337 HydrophobicContact CD2-CG2 4.2Å; W274-V337 HydrophobicContact CE3-CG2 3.31Å; W274-V337 HydrophobicContact CZ3-CG2 3.86Å; F333-V337 HydrophobicContact CD1-CG1 3.91Å; D334-V337 HydrophobicContact CB-CG2 3.95Å; D334-V337 WeakPolarHBondContact O-CB 3.11Å; D334-V337 PolarHBondContact O-N 3.2Å; V337-Q339 PolarHBondContact O-N 3.14Å
338W93Very high93.5Very high71 Ų7178.6 Ų78.627%0.26945%0.453SS..PPolyproline II helixtrans-73122.2168.6-17683.1000109.5W110 K112 E342 P343 I345W110-W338 PolarHBondContact O-N 3.47Å; K112-W338 HydrophobicContact CG-CB 4.35Å; W338-E342 WeakPolarHBondContact CZ2-O 3.45Å; W338-P343 PolarHBondContact NE1-O 3.35Å; W338-I345 HydrophobicContact CB-CD1 4.42Å; W338-I345 VanDerWaalsContact CD1-CG1 3.48Å; W338-I345 HydrophobicContact CG-CD1 4.14Å; W338-I345 HydrophobicContact CG-CG1 4.23Å
339Q94Very high93.5Very high65 Ų6581.1 Ų81.130%0.30447%0.468SS..PPolyproline II helixtrans-82145.3-177.5-58.1-175.711.900110.7F333 V337 S341 E342F333-Q339 HydrophobicContact CB-CG 4.42Å; F333-Q339 HydrophobicContact CD1-CG 4.27Å; F333-Q339 HydrophobicContact CD2-CG 4.02Å; F333-Q339 HydrophobicContact CE2-CG 4.33Å; F333-Q339 HydrophobicContact CG-CG 4Å; V337-Q339 PolarHBondContact O-N 3.14Å; Q339-S341 PolarHBondContact O-N 3.38Å; Q339-E342 HydrophobicContact CB-CB 4.49Å; Q339-E342 HydrophobicContact CB-CG 3.94Å; Q339-E342 HydrophobicContact CG-CG 4.47Å; Q339-E342 PolarHBondContact N-OE2 2.87Å; Q339-E342 WeakPolarHBondContact O-CB 3.23Å; Q339-E342 PolarHBondContact O-N 2.8Å
340P89.8Confident93.5Very high90 Ų9081.1 Ų81.158%0.58447%0.465SS*.THydrogen-bonded Turntrans-57.5-22179.9-25.734.8000115.4
341S90.6Very high93.4Very high102 Ų10280.1 Ų80.171%0.71347%0.466SS*.THydrogen-bonded Turntrans-92.7-11.3178.951.30000114.3Q339Q339-S341 PolarHBondContact O-N 3.38Å
342E91.7Very high93.3Very high52 Ų5282.7 Ų82.724%0.24348%0.482CS..SBendtrans-71.2154.7179.7-80.3172.517400110.8K112 W338 Q339K112-E342 WeakPolarHBondContact CE-OE1 3.45Å; K112-E342 WeakPolarHBondContact CE-OE2 3.38Å; K112-E342 IonicContact NZ-OE1 2.81Å; K112-E342 PolarHBondContact NZ-OE1 3.27Å; W338-E342 WeakPolarHBondContact CZ2-O 3.45Å; Q339-E342 HydrophobicContact CB-CB 4.49Å; Q339-E342 HydrophobicContact CB-CG 3.94Å; Q339-E342 HydrophobicContact CG-CG 4.47Å; Q339-E342 PolarHBondContact N-OE2 2.87Å; Q339-E342 WeakPolarHBondContact O-CB 3.23Å; Q339-E342 PolarHBondContact O-N 2.8Å
343P93.8Very high93.1Very high111 Ų11186.3 Ų86.372%0.72150%0.504SS*.PPolyproline II helixtrans-64.2160.2172.928.3-35.1000111.3W338 I345W338-P343 PolarHBondContact NE1-O 3.35Å; P343-I345 PolarHBondContact O-N 3.36Å
344S92.8Very high92.9Very high105 Ų10588.9 Ų88.973%0.73452%0.523SS*.PPolyproline II helixtrans-52.1137.9172.9-60.80000111.2T346S344-T346 PolarHBondContact O-N 3.05Å
345I91.6Very high92.6Very high64 Ų6493.6 Ų93.633%0.32855%0.552SS.*PPolyproline II helixtrans-62.6130.8-179.6-58.5169.7000109.5W338 P343 F347W338-I345 HydrophobicContact CB-CD1 4.42Å; W338-I345 VanDerWaalsContact CD1-CG1 3.48Å; W338-I345 HydrophobicContact CG-CD1 4.14Å; W338-I345 HydrophobicContact CG-CG1 4.23Å; P343-I345 PolarHBondContact O-N 3.36Å; I345-F347 HydrophobicContact CG2-CD1 4.46Å; I345-F347 HydrophobicContact CG2-CD2 4.29Å; I345-F347 HydrophobicContact CG2-CE1 3.95Å; I345-F347 HydrophobicContact CG2-CE2 3.76Å; I345-F347 HydrophobicContact CG2-CZ 3.57Å
346T92.7Very high92.4Very high120 Ų12087.1 Ų87.174%0.73653%0.531SS*.  trans-120.3120.4172.8-56.40000108.6S344S344-T346 PolarHBondContact O-N 3.05Å
347F91.5Very high92.2Very high154 Ų15491.5 Ų91.568%0.67556%0.555SS**  trans-93.593.8171.2-56.7-78.6000107.8I345I345-F347 HydrophobicContact CG2-CD1 4.46Å; I345-F347 HydrophobicContact CG2-CD2 4.29Å; I345-F347 HydrophobicContact CG2-CE1 3.95Å; I345-F347 HydrophobicContact CG2-CE2 3.76Å; I345-F347 HydrophobicContact CG2-CZ 3.57Å
348A89.3Confident91.9Very high162 Ų16299.6 Ų99.6100%1.33960%0.604SS**  trans-87.50179.200000112.1

Retrieved 348 of 348 residues in 754 ms (Link to these results)