A0A077Z9Z5_TRITR Loading...

Galaxin-like repeats domain-containing protein

AlphaFold DB , UniProt , Accession A0A077Z9Z5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 281 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
1M45.1Very low35.3Very low224 Ų224142.5 Ų142.5100%1.10380%0.804SS**  097.30-119.9170.484.900107
2V36.2Very low34.7Very low127 Ų127144.3 Ų144.377%0.7781%0.809SS**  trans-90.8109-179.5177.70000106.7F4V2-F4 HydrophobicContact CG1-CD2 4.41Å; V2-F4 HydrophobicContact CG1-CE2 4.28Å; V2-F4 PolarHBondContact O-N 3.31Å
3I34.5Very low34.5Very low132 Ų132141.8 Ų141.868%0.67780%0.803SS**  trans-87.1108.4179.5-63.5173.3000107.2L5I3-L5 PolarHBondContact O-N 2.94Å
4F33.7Very low34.2Very low178 Ų178141.3 Ų141.378%0.78180%0.804SS**  trans-72.5110.1172.5-86.8-93.7000109.5V2 I6V2-F4 HydrophobicContact CG1-CD2 4.41Å; V2-F4 HydrophobicContact CG1-CE2 4.28Å; V2-F4 PolarHBondContact O-N 3.31Å; F4-I6 PolarHBondContact O-N 2.63Å
5L37Very low34Very low157 Ų157144.6 Ų144.682%0.82281%0.809SS**  trans-84103.1169.9-79.8153.9000108.5I3 T7I3-L5 PolarHBondContact O-N 2.94Å; L5-T7 PolarHBondContact O-N 3.43Å
6I37.8Very low33.3Very low146 Ų146146.4 Ų146.475%0.74981%0.812SS**  trans-78.6106.4174.3-60.9172.6000107.8F4 I8F4-I6 PolarHBondContact O-N 2.63Å; I6-I8 HydrophobicContact CG2-CG1 4.14Å; I6-I8 PolarHBondContact O-N 2.89Å
7T34.6Very low33Very low131 Ų131142.2 Ų142.280%0.80481%0.81SS**  trans-82.6104.5172.448.40000109.7L5 S9L5-T7 PolarHBondContact O-N 3.43Å; T7-S9 PolarHBondContact O-N 2.77Å
8I34.3Very low32.7Very low149 Ų149140.6 Ų140.676%0.76481%0.809SS**  trans-83.3106.2171.4-60175.6000108I6 A10I6-I8 HydrophobicContact CG2-CG1 4.14Å; I6-I8 PolarHBondContact O-N 2.89Å; I8-A10 PolarHBondContact O-N 2.74Å
9S33Very low32.4Very low114 Ų114141.8 Ų141.880%0.79781%0.812SS**  trans-78.295.3171.255.40000109.7T7 S11T7-S9 PolarHBondContact O-N 2.77Å; S9-S11 PolarHBondContact O-N 2.66Å
10A31.9Very low32.3Very low89 Ų89143.8 Ų143.874%0.73681%0.814SS**  trans-83.9106167.300000108.5I8 L12I8-A10 PolarHBondContact O-N 2.74Å; A10-L12 PolarHBondContact O-N 3.25Å
11S29.9Very low32.1Very low121 Ų121142.6 Ų142.685%0.84681%0.812SS**  trans-70.7112.5171.933.10000109.7S9S9-S11 PolarHBondContact O-N 2.66Å
12L29Very low31.2Very low164 Ų164135.6 Ų135.686%0.85980%0.798SS**  trans-91.5142.1175.7-149.170000109.9A10A10-L12 PolarHBondContact O-N 3.25Å
13P31.3Very low30.6Very low112 Ų112137.6 Ų137.673%0.72780%0.803SS**  trans-76145.1-163.6-11.228000113.2H15P13-H15 PolarHBondContact O-N 2.88Å
14T30.1Very low30.2Very low134 Ų134139.8 Ų139.882%0.82281%0.812SS**  trans-58.599.9173.547.30000111.3M16T14-M16 PolarHBondContact O-N 3.06Å
15H31.1Very low29.7Very low191 Ų191140.6 Ų140.688%0.88482%0.816SS**  trans-81.8102.6167.6-137.4-74.5000108.4P13P13-H15 PolarHBondContact O-N 2.88Å
16M24.1Very low29.2Very low173 Ų173140.8 Ų140.885%0.85282%0.816SS**  trans-77.2145.5167.6-65.9170.781.900109T14T14-M16 PolarHBondContact O-N 3.06Å
17G27.4Very low29Very low75 Ų75139.2 Ų139.277%0.77382%0.816SS**  trans102.777.1167.200000113.7
18S28Very low28.9Very low114 Ų114140.7 Ų140.780%0.79782%0.819SS**  trans-123.7111.1149.4360000107.4Q20S18-Q20 PolarHBondContact O-N 3.18Å; S18-Q20 VanDerWaalsContact O-N 3.1Å
19D27.4Very low29.2Very low163 Ų163137.5 Ų137.587%0.87281%0.81SS**  trans-52.6105.8173.3-66.5-55.8000109.9
20Q29Very low29.8Very low182 Ų182136 Ų13685%0.8579%0.793SS**  trans-75.5122.5162.7-74.9-170-67.100107.6S18 G22S18-Q20 PolarHBondContact O-N 3.18Å; S18-Q20 VanDerWaalsContact O-N 3.1Å; Q20-G22 PolarHBondContact O-N 3.02Å
21P29Very low30.5Very low119 Ų119138.4 Ų138.477%0.77378%0.784SS**  trans-61.2134.5-179.624.3-31.5000109.3L23P21-L23 PolarHBondContact O-N 3.15Å
22G25.8Very low31.6Very low77 Ų77140.7 Ų140.779%0.79478%0.783SS**  trans-34.6105.4-171.500000113.3Q20 M24Q20-G22 PolarHBondContact O-N 3.02Å; G22-M24 PolarHBondContact O-N 3.15Å
23L24.2Very low33.7Very low168 Ų168134.6 Ų134.688%0.8875%0.751SS**  trans-56.8107.7161.7-152.884.7000105.5P21 K25P21-L23 PolarHBondContact O-N 3.15Å; L23-K25 PolarHBondContact O-N 3.44Å
24M25.2Very low35.7Very low178 Ų178131.8 Ų131.888%0.87773%0.732SS**  trans-52.4106173.7-174153.9170.200106.5G22 L26G22-M24 PolarHBondContact O-N 3.15Å; M24-L26 PolarHBondContact O-N 3.46Å
25K24.4Very low38.2Very low196 Ų196127.5 Ų127.585%0.85271%0.708SS**  trans-53.6107.4175.8-81.6-179175.2179.60105.5L23 P27L23-K25 PolarHBondContact O-N 3.44Å; K25-P27 VanDerWaalsContact O-N 3.09Å
26L26.5Very low40.7Very low160 Ų160120.6 Ų120.684%0.83867%0.674SS**  trans-50.3120.4163-76.5155.1000104.6M24 D28M24-L26 PolarHBondContact O-N 3.46Å; L26-D28 PolarHBondContact O-N 3.39Å
27P32.7Very low43.5Very low114 Ų114116.7 Ų116.774%0.7465%0.654SS**  trans-52136.3-176.219.1-30.2000108.2K25 S29K25-P27 VanDerWaalsContact O-N 3.09Å; P27-S29 PolarHBondContact O-N 3.35Å
28D33.5Very low46.1Very low161 Ų161117.1 Ų117.186%0.86165%0.65SS**  trans-35.4113.5-174-78.4-46.9000109.4L26 D30L26-D28 PolarHBondContact O-N 3.39Å; D28-D30 PolarHBondContact O-N 3.4Å
29S40.2Very low48.5Very low82 Ų82112.8 Ų112.857%0.57362%0.619SS**  trans-49.198-174.3-1740000109P27 Y31P27-S29 PolarHBondContact O-N 3.35Å; S29-Y31 PolarHBondContact O-N 2.92Å; S29-Y31 WeakPolarHBondContact OG-CB 3.33Å; S29-Y31 WeakPolarHBondContact OG-CD2 3.27Å; S29-Y31 VanDerWaalsContact OG-CG 3.26Å
30D44.7Very low50.9Low84 Ų84108.8 Ų108.845%0.44960%0.604SS.*G310 helixtrans-58.911.3170.5-111.1-25.9000112.2D28 M32D28-D30 PolarHBondContact O-N 3.4Å; D30-M32 VanDerWaalsContact C-N 3.26Å; D30-M32 PolarHBondContact O-N 2.79Å
31Y46.3Very low52.8Low139 Ų139106.2 Ų106.255%0.54560%0.595SS.*G310 helixtrans-70.4-6.8-172.4-85.8-101.1000114.9S29 R114S29-Y31 PolarHBondContact O-N 2.92Å; S29-Y31 WeakPolarHBondContact OG-CB 3.33Å; S29-Y31 WeakPolarHBondContact OG-CD2 3.27Å; S29-Y31 VanDerWaalsContact OG-CG 3.26Å; Y31-R114 PolarHBondContact OH-NH1 3.39Å; Y31-R114 PolarHBondContact OH-NH2 2.02Å
32M54.3Low54.4Low169 Ų169105.3 Ų105.383%0.83358%0.583SS**G310 helixtrans-127.341.5-172.7-61.5-69.5177.400113.6D30 V34D30-M32 VanDerWaalsContact C-N 3.26Å; D30-M32 PolarHBondContact O-N 2.79Å; M32-V34 VanDerWaalsContact C-N 3.28Å
33N71.5Confident56.1Low35 Ų35107.7 Ų107.719%0.18757%0.574CS.*  trans-84-0168.5-75.3-47.8000113.4S35 K99 C115N33-S35 PolarHBondContact O-N 2.89Å; N33-K99 PolarHBondContact O-N 3.1Å; N33-C115 HydrophobicContact CB-CB 3.67Å
34V75.1Confident57.5Low53 Ų53107 Ų10732%0.32156%0.56SS.*BIsolated β-bridgetrans-76.6117.3174-177.90000108.9M32 Y36 I96 C97M32-V34 VanDerWaalsContact C-N 3.28Å; V34-Y36 HydrophobicContact CG1-CD2 3.52Å; V34-Y36 HydrophobicContact CG1-CE2 3.47Å; V34-Y36 VanDerWaalsContact CG1-CE2 3.47Å; V34-I96 HydrophobicContact CG2-CD1 4.36Å; V34-I96 HydrophobicContact CG2-CG1 4.42Å; V34-C97 VanDerWaalsContact CA-O 3.28Å; V34-C97 WeakPolarHBondContact CA-O 3.19Å
35S81.6Confident58.6Low44 Ų44106.1 Ų106.131%0.30855%0.554SS.*  trans-120.779.9-167.564.40000112.1N33 C97 K99 G100N33-S35 PolarHBondContact O-N 2.89Å; S35-C97 PolarHBondContact N-O 3.07Å; S35-C97 VanDerWaalsContact N-O 3.1Å; S35-C97 PolarHBondContact O-SG 2.03Å; S35-K99 PolarHBondContact OG-N 3.18Å; S35-G100 PolarHBondContact OG-N 3.28Å
36Y82.7Confident59.4Low46 Ų46101 Ų10118%0.1853%0.534CS..EExtended strand (participates in β ladder)trans-99.2155.3172.3-71.1-71.3000112.1V34 E83 C84 C85 I92 N95 I96 C97V34-Y36 HydrophobicContact CG1-CD2 3.52Å; V34-Y36 HydrophobicContact CG1-CE2 3.47Å; V34-Y36 VanDerWaalsContact CG1-CE2 3.47Å; Y36-E83 WeakPolarHBondContact CB-OE2 3.41Å; Y36-E83 HydrophobicContact CD1-CB 3.74Å; Y36-E83 HydrophobicContact CE1-CB 4.47Å; Y36-E83 HydrophobicContact CG-CB 4.13Å; Y36-E83 VanDerWaalsContact CG-OE2 3.24Å; Y36-C84 WeakPolarHBondContact CA-O 3.39Å; Y36-C84 WeakPolarHBondContact CD1-O 3.28Å; Y36-C85 HydrophobicContact CE1-CB 4.24Å; Y36-I92 HydrophobicContact CD1-CG2 4.3Å; Y36-I92 HydrophobicContact CD2-CG2 4.32Å; Y36-I92 HydrophobicContact CE1-CG2 4.13Å; Y36-I92 HydrophobicContact CE2-CG2 4.15Å; Y36-I92 HydrophobicContact CG-CG2 4.4Å; Y36-N95 PolarHBondContact OH-O 2.74Å; Y36-I96 WeakPolarHBondContact OH-CA 2.98Å; Y36-I96 PolarHBondContact OH-N 2.94Å; Y36-C97 HydrophobicContact CD1-CB 3.86Å; Y36-C97 HydrophobicContact CD2-CB 4.39Å; Y36-C97 HydrophobicContact CE1-CB 3.48Å; Y36-C97 VanDerWaalsContact CE1-CB 3.48Å; Y36-C97 HydrophobicContact CE2-CB 4.06Å; Y36-C97 HydrophobicContact CG-CB 4.29Å; Y36-C97 PolarHBondContact OH-N 2.75Å
37H84.4Confident60Low92 Ų9299.8 Ų99.843%0.42653%0.528SS..EExtended strand (participates in β ladder)trans-141.9162.5165.259.990.6000111.4C84 G86H37-C84 WeakPolarHBondContact CE1-CB 3.14Å; H37-C84 PolarHBondContact N-O 3.49Å; H37-C84 VanDerWaalsContact N-O 3.1Å; H37-C84 VanDerWaalsContact ND1-CB 3.35Å; H37-C84 WeakPolarHBondContact ND1-CB 3.36Å; H37-C84 WeakPolarHBondContact NE2-CB 3.46Å; H37-C84 WeakPolarHBondContact O-CB 3.42Å; H37-C84 PolarHBondContact O-N 2.87Å; H37-G86 PolarHBondContact NE2-O 3.2Å; H37-G86 VanDerWaalsContact NE2-O 3.13Å
38A81.8Confident60.4Low83 Ų83100.1 Ų100.169%0.68652%0.523SS*.PPolyproline II helixtrans-66.5140.9-176.700000111.8
39P78Confident60.7Low23 Ų2396.9 Ų96.915%0.14953%0.528CS..PPolyproline II helixtrans-78.3156.9171.632.5-32.8000111.5L41 A64 C65 C84P39-L41 HydrophobicContact CG-CD2 4.27Å; P39-L41 PolarHBondContact O-N 2.9Å; P39-A64 HydrophobicContact CB-CB 4.18Å; P39-A64 HydrophobicContact CG-CB 4.31Å; P39-C65 CarbonylContact C-O 3.53Å; P39-C65 WeakPolarHBondContact CA-O 3.45Å; P39-C65 WeakPolarHBondContact CB-O 3.47Å; P39-C84 WeakPolarHBondContact CA-SG 3.37Å
40S77.4Confident60.6Low79 Ų79100.4 Ų100.455%0.55254%0.535SS*.EExtended strand (participates in β ladder)trans-71.8125163.3-65.50000109.4C65S40-C65 PolarHBondContact N-O 3.37Å; S40-C65 PolarHBondContact O-N 2.84Å
41L69.9Low60.1Low129 Ų129104.5 Ų104.568%0.67556%0.556SS**EExtended strand (participates in β ladder)trans-93120.7179.4-57.8-177.4000110.1P39 M79P39-L41 HydrophobicContact CG-CD2 4.27Å; P39-L41 PolarHBondContact O-N 2.9Å; L41-M79 HydrophobicContact CD2-CE 2.96Å; L41-M79 HydrophobicContact CD2-SD 4.24Å; L41-M79 HydrophobicContact CG-CE 4.43Å
42L62.7Low59.7Low100 Ų100102 Ų10252%0.52456%0.557SS.*EExtended strand (participates in β ladder)trans-120.7130.3173.3-74.1119.9000111.1K63 C65L42-K63 HydrophobicContact CB-CB 4.44Å; L42-K63 PolarHBondContact N-O 3.15Å; L42-K63 PolarHBondContact O-N 3.22Å; L42-C65 HydrophobicContact CD1-CB 4.45Å
43H60.5Low59.1Low127 Ų127100.1 Ų100.159%0.58855%0.55SS**EExtended strand (participates in β ladder)trans-99.4125.2171.3-164.488000108.4V60 L62H43-V60 WeakPolarHBondContact CE1-CG1 3.19Å; H43-V60 WeakPolarHBondContact NE2-CG1 3.47Å; H43-L62 VanDerWaalsContact ND1-CD2 3.3Å; H43-L62 WeakPolarHBondContact ND1-CD2 3.31Å
44Y53.8Low57.8Low153 Ų153110.2 Ų110.260%0.659%0.586SS**EExtended strand (participates in β ladder)trans-117.5129.6176.6-150.3-90.3000110.4L47Y44-L47 HydrophobicContact CE1-CD1 4.5Å; Y44-L47 HydrophobicContact CE1-CG 4.04Å
45Q49.3Very low56.4Low160 Ų160113.7 Ų113.775%0.74861%0.607SS**  trans-83.4145.9173.7-72.1179.4-49.600109.8L47Q45-L47 PolarHBondContact O-N 3.02Å
46M41.4Very low54.7Low88 Ų88116.5 Ų116.543%0.43362%0.619SS.*  trans-37.5121.7-179.2-67.1-74.6-72.800112.4D48 G58M46-D48 PolarHBondContact O-N 3.01Å; M46-G58 VanDerWaalsContact SD-CA 3.54Å
47L39.2Very low53.2Low134 Ų134120.8 Ų120.870%0.70265%0.645SS**SBendtrans-64.189.1158.7-81.6155.2000106.3Y44 Q45Y44-L47 HydrophobicContact CE1-CD1 4.5Å; Y44-L47 HydrophobicContact CE1-CG 4.04Å; Q45-L47 PolarHBondContact O-N 3.02Å
48D40.1Very low51.8Low122 Ų122117.9 Ų117.965%0.65264%0.639SS**  168.4121.3129.6-82.9-27000106.9M46 H50M46-D48 PolarHBondContact O-N 3.01Å; D48-H50 PolarHBondContact O-N 2.78Å
49G40.9Very low50.8Low92 Ų92118 Ų11895%0.94863%0.628SS**  trans-65.824.9174.100000113.8
50H36.6Very low50.2Low156 Ų156119.8 Ų119.872%0.72264%0.639SS**SBendtrans-92.6116.4166.1-74.4-65.1000107.5D48 P52D48-H50 PolarHBondContact O-N 2.78Å; H50-P52 WeakPolarHBondContact O-CD 3.38Å
51L34.4Very low50.1Low170 Ų170122.3 Ų122.389%0.8964%0.639SS**  trans-37.5112.8166.7-73.8153000108.3D53L51-D53 PolarHBondContact O-N 2.04Å
52P38.6Very low50.8Low88 Ų88117.3 Ų117.357%0.57161%0.613SS**  trans-63.7110.6179.322.5-28.9000106.3H50 R54 D56H50-P52 WeakPolarHBondContact O-CD 3.38Å; P52-R54 PolarHBondContact O-N 2.85Å; P52-D56 HydrophobicContact CB-CB 4.05Å
53D41.1Very low52Low129 Ų129116.7 Ų116.769%0.6961%0.606SS**  trans-44136.9157.8-172.611.6000106.8L51 T55 D56L51-D53 PolarHBondContact O-N 2.04Å; D53-T55 PolarHBondContact O-N 3.12Å; D53-D56 PolarHBondContact O-N 3.11Å
54R43.8Very low53.3Low247 Ų247110.6 Ų110.693%0.93258%0.578SS**THydrogen-bonded Turntrans-67.322.5-158.1-161-177.9172.5-176.1-1.7114.4P52P52-R54 PolarHBondContact O-N 2.85Å
55T46.1Very low55.1Low125 Ų125103.8 Ų103.877%0.76755%0.553SS**THydrogen-bonded Turntrans-122.4-6.8174.455.10000113.3D53 D57D53-T55 PolarHBondContact O-N 3.12Å; T55-D57 PolarHBondContact O-N 3.22Å
56D47Very low57.1Low104 Ų10496.2 Ų96.256%0.55652%0.518SS*.  trans-88.596.6173.7-159.727.2000109.1P52 D53 G58P52-D56 HydrophobicContact CB-CB 4.05Å; D53-D56 PolarHBondContact O-N 3.11Å; D56-G58 PolarHBondContact O-N 3.18Å
57D49.9Very low59.4Low135 Ų13597.5 Ų97.572%0.72253%0.526SS*.  trans-6575.1178.2-161.414.4000108.9T55 L59T55-D57 PolarHBondContact O-N 3.22Å; D57-L59 PolarHBondContact O-N 3.23Å
58G55.2Low61.9Low31 Ų31100 Ų10032%0.3254%0.535SS..  trans-62.779.1-167.900000112.6M46 D56 V60M46-G58 VanDerWaalsContact SD-CA 3.54Å; D56-G58 PolarHBondContact O-N 3.18Å; G58-V60 PolarHBondContact O-N 3.33Å
59L60.7Low64.3Low87 Ų8798.2 Ų98.246%0.45553%0.525SS..  trans-69103.4-174.4-100.5134.8000109.1D57 K61 E74D57-L59 PolarHBondContact O-N 3.23Å; L59-K61 PolarHBondContact O-N 2.77Å; L59-E74 HydrophobicContact CD2-CB 4.18Å
60V65Low66.7Low60 Ų6095.6 Ų95.636%0.36449%0.491SS..PPolyproline II helixtrans-55.1117167.5175.50000109H43 G58 L62H43-V60 WeakPolarHBondContact CE1-CG1 3.19Å; H43-V60 WeakPolarHBondContact NE2-CG1 3.47Å; G58-V60 PolarHBondContact O-N 3.33Å; V60-L62 HydrophobicContact CG1-CD2 4.46Å
61K76.1Confident69.3Low131 Ų13191.7 Ų91.757%0.5748%0.475SS*.EExtended strand (participates in β ladder)trans-95.8122178.2-70.3-178.1-175.2176.40110.2L59 T72L59-K61 PolarHBondContact O-N 2.77Å; K61-T72 HydrophobicContact CB-CG2 3.71Å; K61-T72 HydrophobicContact CD-CG2 4.09Å; K61-T72 HydrophobicContact CG-CG2 4.18Å
62L83.9Confident71.8Confident24 Ų2487.6 Ų87.613%0.12646%0.458CS..EExtended strand (participates in β ladder)trans-89.6145.3176.5-59.6175.5000110H43 V60 T72 F73 L76 M79H43-L62 VanDerWaalsContact ND1-CD2 3.3Å; H43-L62 WeakPolarHBondContact ND1-CD2 3.31Å; V60-L62 HydrophobicContact CG1-CD2 4.46Å; L62-T72 CarbonylContact O-C 3.53Å; L62-T72 VanDerWaalsContact O-CA 3.27Å; L62-T72 WeakPolarHBondContact O-CA 3.46Å; L62-F73 HydrophobicContact CB-CB 4.42Å; L62-F73 PolarHBondContact N-O 2.77Å; L62-F73 PolarHBondContact O-N 3.01Å; L62-L76 HydrophobicContact CD1-CB 4.02Å; L62-L76 HydrophobicContact CD1-CD1 4.1Å; L62-M79 HydrophobicContact CB-SD 4.28Å
63K88Confident74.1Confident87 Ų8784.6 Ų84.638%0.37844%0.436SS..EExtended strand (participates in β ladder)trans-129.1129.6-179-165175.1178.7-169.30111.4L42 C65 C70 L71L42-K63 HydrophobicContact CB-CB 4.44Å; L42-K63 PolarHBondContact N-O 3.15Å; L42-K63 PolarHBondContact O-N 3.22Å; K63-C65 VanDerWaalsContact CE-SG 3.57Å; K63-C70 HydrophobicContact CD-CB 3.99Å; K63-C70 WeakPolarHBondContact CE-SG 3.34Å; K63-C70 HydrophobicContact CG-CB 3.78Å; K63-L71 WeakPolarHBondContact CA-O 3.2Å
64A89.2Confident76.2Confident0 Ų084.5 Ų84.50%043%0.431CS..EExtended strand (participates in β ladder)trans-106121.9170.500000108.6P39 C70 L71 F73 M79 I82 P89P39-A64 HydrophobicContact CB-CB 4.18Å; P39-A64 HydrophobicContact CG-CB 4.31Å; A64-C70 CarbonylContact O-C 3.53Å; A64-C70 WeakPolarHBondContact O-CA 3.49Å; A64-C70 WeakPolarHBondContact O-CB 3.29Å; A64-L71 PolarHBondContact N-O 3.4Å; A64-L71 PolarHBondContact O-N 3.05Å; A64-F73 HydrophobicContact CB-CE2 3.71Å; A64-M79 HydrophobicContact CB-CE 3.37Å; A64-M79 HydrophobicContact CB-SD 4.47Å; A64-I82 HydrophobicContact CB-CG2 3.72Å; A64-P89 WeakPolarHBondContact O-CG 2.98Å
65C90.8Very high78Confident9 Ų975.8 Ų75.86%0.06140%0.403CS..EExtended strand (participates in β ladder)trans-118.6136.4-178.6-69.50000111.9P39 S40 L42 K63 N69 C70P39-C65 CarbonylContact C-O 3.53Å; P39-C65 WeakPolarHBondContact CA-O 3.45Å; P39-C65 WeakPolarHBondContact CB-O 3.47Å; S40-C65 PolarHBondContact N-O 3.37Å; S40-C65 PolarHBondContact O-N 2.84Å; L42-C65 HydrophobicContact CD1-CB 4.45Å; K63-C65 VanDerWaalsContact CE-SG 3.57Å; C65-N69 WeakPolarHBondContact CA-O 3.3Å; C65-C70 VanDerWaalsContact CA-SG 3.57Å; C65-C70 HydrophobicContact CB-CB 4.07Å; C65-C70 WeakPolarHBondContact CB-SG 3.44Å; C65-C70 WeakPolarHBondContact SG-CB 3.33Å; C65-C70 CovalentContact SG-SG 2.04Å; C65-C70 PolarHBondContact SG-SG 2.76Å
66C92Very high79.7Confident2 Ų276 Ų761%0.01440%0.399CS..EExtended strand (participates in β ladder)trans-117.4102.3166.7-55.40000105.6E68 N69 C84 D87 R88 P89C66-E68 PolarHBondContact O-N 2.87Å; C66-N69 PolarHBondContact N-O 2.73Å; C66-N69 PolarHBondContact O-N 2.77Å; C66-N69 VanDerWaalsContact O-N 3.12Å; C66-C84 VanDerWaalsContact CA-SG 3.53Å; C66-C84 HydrophobicContact CB-CB 3.73Å; C66-C84 WeakPolarHBondContact CB-SG 3.26Å; C66-C84 WeakPolarHBondContact SG-CA 3.47Å; C66-C84 WeakPolarHBondContact SG-CB 3.38Å; C66-C84 CovalentContact SG-SG 2.01Å; C66-C84 PolarHBondContact SG-SG 2.96Å; C66-D87 VanDerWaalsContact CB-C 3.46Å; C66-R88 VanDerWaalsContact SG-C 3.55Å; C66-P89 HydrophobicContact CB-CG 4.08Å; C66-P89 WeakPolarHBondContact SG-CA 3.33Å; C66-P89 VanDerWaalsContact SG-CG 3.57Å
67N89.8Confident81.5Confident114 Ų11477.6 Ų77.661%0.6141%0.406SS*.THydrogen-bonded Turntrans52.8-123.1-165.6-62.8-33.2000110.7D87N67-D87 PolarHBondContact ND2-OD1 2.9Å
68E90.2Very high83.2Confident188 Ų18875.2 Ų75.288%0.87939%0.393SS*.THydrogen-bonded Turntrans-85.5-15.8-177.5-59.5-174.817200113.3C66C66-E68 PolarHBondContact O-N 2.87Å
69N91.8Very high84.6Confident83 Ų8374.8 Ų74.844%0.44438%0.383SS..EExtended strand (participates in β ladder)trans-87.7128.9-179.1-59.1-63.5000110.1C65 C66 D87 P89C65-N69 WeakPolarHBondContact CA-O 3.3Å; C66-N69 PolarHBondContact N-O 2.73Å; C66-N69 PolarHBondContact O-N 2.77Å; C66-N69 VanDerWaalsContact O-N 3.12Å; N69-D87 VanDerWaalsContact CB-O 3.23Å; N69-D87 WeakPolarHBondContact CB-O 3.41Å; N69-D87 PolarHBondContact ND2-O 3.14Å; N69-P89 WeakPolarHBondContact O-CD 3.38Å; N69-P89 WeakPolarHBondContact O-CG 3.28Å
70C90.7Very high85.9Confident37 Ų3775.4 Ų75.425%0.2539%0.39CS..EExtended strand (participates in β ladder)trans-140.8146.5-174.1-51.70000113.1K63 A64 C65K63-C70 HydrophobicContact CD-CB 3.99Å; K63-C70 WeakPolarHBondContact CE-SG 3.34Å; K63-C70 HydrophobicContact CG-CB 3.78Å; A64-C70 CarbonylContact O-C 3.53Å; A64-C70 WeakPolarHBondContact O-CA 3.49Å; A64-C70 WeakPolarHBondContact O-CB 3.29Å; C65-C70 VanDerWaalsContact CA-SG 3.57Å; C65-C70 HydrophobicContact CB-CB 4.07Å; C65-C70 WeakPolarHBondContact CB-SG 3.44Å; C65-C70 WeakPolarHBondContact SG-CB 3.33Å; C65-C70 CovalentContact SG-SG 2.04Å; C65-C70 PolarHBondContact SG-SG 2.76Å
71L90.1Very high87Confident74 Ų7473.4 Ų73.439%0.38738%0.382SS..EExtended strand (participates in β ladder)trans-110.2141.9171.4-65.1-180000109.6K63 A64 F73 P89K63-L71 WeakPolarHBondContact CA-O 3.2Å; A64-L71 PolarHBondContact N-O 3.4Å; A64-L71 PolarHBondContact O-N 3.05Å; L71-F73 HydrophobicContact CB-CE1 4.47Å; L71-F73 HydrophobicContact CB-CE2 3.6Å; L71-F73 HydrophobicContact CB-CZ 3.48Å; L71-F73 VanDerWaalsContact CB-CZ 3.48Å; L71-F73 HydrophobicContact CD1-CZ 4.15Å; L71-F73 HydrophobicContact CG-CZ 4.49Å; L71-F73 VanDerWaalsContact O-CE2 3.31Å; L71-F73 WeakPolarHBondContact O-CE2 3.14Å; L71-P89 HydrophobicContact CB-CB 4.43Å; L71-P89 HydrophobicContact CD1-CB 3.93Å; L71-P89 WeakPolarHBondContact CD1-O 3.46Å; L71-P89 HydrophobicContact CG-CB 3.95Å; L71-P89 HydrophobicContact CG-CG 4.21Å
72T88.9Confident87.8Confident85 Ų8568 Ų6852%0.52136%0.359SS..EExtended strand (participates in β ladder)trans-109.4139178.6-59.60000110.3K61 L62K61-T72 HydrophobicContact CB-CG2 3.71Å; K61-T72 HydrophobicContact CD-CG2 4.09Å; K61-T72 HydrophobicContact CG-CG2 4.18Å; L62-T72 CarbonylContact O-C 3.53Å; L62-T72 VanDerWaalsContact O-CA 3.27Å; L62-T72 WeakPolarHBondContact O-CA 3.46Å
73F86.5Confident88.2Confident25 Ų2570.1 Ų70.111%0.1137%0.368CS..EExtended strand (participates in β ladder)trans-129141.8-174.6-54-88.6000110.1L62 A64 L71 N75 N78 M79 I82L62-F73 HydrophobicContact CB-CB 4.42Å; L62-F73 PolarHBondContact N-O 2.77Å; L62-F73 PolarHBondContact O-N 3.01Å; A64-F73 HydrophobicContact CB-CE2 3.71Å; L71-F73 HydrophobicContact CB-CE1 4.47Å; L71-F73 HydrophobicContact CB-CE2 3.6Å; L71-F73 HydrophobicContact CB-CZ 3.48Å; L71-F73 VanDerWaalsContact CB-CZ 3.48Å; L71-F73 HydrophobicContact CD1-CZ 4.15Å; L71-F73 HydrophobicContact CG-CZ 4.49Å; L71-F73 VanDerWaalsContact O-CE2 3.31Å; L71-F73 WeakPolarHBondContact O-CE2 3.14Å; F73-N75 VanDerWaalsContact C-N 3.32Å; F73-N78 HydrophobicContact CB-CB 4.31Å; F73-N78 HydrophobicContact CD1-CB 4.1Å; F73-N78 WeakPolarHBondContact CD1-O 3.42Å; F73-N78 WeakPolarHBondContact CE1-O 3.06Å; F73-M79 HydrophobicContact CB-CB 4.35Å; F73-M79 HydrophobicContact CD1-CB 4.36Å; F73-M79 HydrophobicContact CD2-CB 4.17Å; F73-M79 HydrophobicContact CD2-CG 3.97Å; F73-M79 HydrophobicContact CD2-SD 4.11Å; F73-M79 HydrophobicContact CE2-CG 4.16Å; F73-M79 HydrophobicContact CG-CB 4.02Å; F73-M79 HydrophobicContact CG-CG 4.33Å; F73-I82 HydrophobicContact CE1-CD1 3.79Å; F73-I82 HydrophobicContact CE1-CG1 3.76Å; F73-I82 HydrophobicContact CE2-CG1 4.32Å; F73-I82 HydrophobicContact CE2-CG2 4.49Å; F73-I82 HydrophobicContact CZ-CB 4.31Å; F73-I82 HydrophobicContact CZ-CD1 3.66Å; F73-I82 HydrophobicContact CZ-CG1 3.49Å; F73-I82 VanDerWaalsContact CZ-CG1 3.49Å; F73-I82 HydrophobicContact CZ-CG2 4.1Å
74E84.6Confident88.5Confident127 Ų12766 Ų6659%0.59335%0.35SS*.SBendtrans-71.3-27.5178.5-64.6174.8170.700113.1L59L59-E74 HydrophobicContact CD2-CB 4.18Å
75N81.4Confident88.7Confident64 Ų6466.1 Ų66.134%0.34235%0.351SS..SBendtrans-156.9169.4-177.96057.3000110.9F73 I77 N78F73-N75 VanDerWaalsContact C-N 3.32Å; N75-I77 VanDerWaalsContact C-N 3.27Å; N75-I77 PolarHBondContact O-N 3.34Å; N75-I77 WeakPolarHBondContact OD1-CB 3.41Å; N75-I77 PolarHBondContact OD1-N 3.17Å; N75-I77 VanDerWaalsContact OD1-N 3.15Å; N75-N78 PolarHBondContact O-N 3.2Å; N75-N78 PolarHBondContact OD1-N 2.94Å
76L82.5Confident88.8Confident129 Ų12966.7 Ų66.768%0.67536%0.359SS*.SBendtrans-65.5-29.8-175.7-170.267000112.9L62 M79L62-L76 HydrophobicContact CD1-CB 4.02Å; L62-L76 HydrophobicContact CD1-CD1 4.1Å; L76-M79 WeakPolarHBondContact O-CB 3.31Å; L76-M79 PolarHBondContact O-N 2.86Å
77I84.4Confident88.8Confident137 Ų13771 Ų7170%0.70338%0.382SS*.G310 helixtrans-67.6-41-178.1-61.5168.7000110.3N75 M79 V80N75-I77 VanDerWaalsContact C-N 3.27Å; N75-I77 PolarHBondContact O-N 3.34Å; N75-I77 WeakPolarHBondContact OD1-CB 3.41Å; N75-I77 PolarHBondContact OD1-N 3.17Å; N75-I77 VanDerWaalsContact OD1-N 3.15Å; I77-M79 PolarHBondContact O-N 3.19Å; I77-M79 VanDerWaalsContact O-N 3.15Å; I77-V80 WeakPolarHBondContact O-CB 3.23Å; I77-V80 WeakPolarHBondContact O-CG2 3.01Å; I77-V80 PolarHBondContact O-N 2.87Å
78N85.2Confident89Confident85 Ų8572.7 Ų72.746%0.45538%0.379SS..G310 helixtrans-66-15176.6-71.1-16.1000113.4F73 N75F73-N78 HydrophobicContact CB-CB 4.31Å; F73-N78 HydrophobicContact CD1-CB 4.1Å; F73-N78 WeakPolarHBondContact CD1-O 3.42Å; F73-N78 WeakPolarHBondContact CE1-O 3.06Å; N75-N78 PolarHBondContact O-N 3.2Å; N75-N78 PolarHBondContact OD1-N 2.94Å
79M85.7Confident89.1Confident23 Ų2364.4 Ų64.411%0.11334%0.342CS..G310 helixtrans-93.6-8-179.3-168.6167.7172.100113.4L41 L62 A64 F73 L76 I77 G81 I82L41-M79 HydrophobicContact CD2-CE 2.96Å; L41-M79 HydrophobicContact CD2-SD 4.24Å; L41-M79 HydrophobicContact CG-CE 4.43Å; L62-M79 HydrophobicContact CB-SD 4.28Å; A64-M79 HydrophobicContact CB-CE 3.37Å; A64-M79 HydrophobicContact CB-SD 4.47Å; F73-M79 HydrophobicContact CB-CB 4.35Å; F73-M79 HydrophobicContact CD1-CB 4.36Å; F73-M79 HydrophobicContact CD2-CB 4.17Å; F73-M79 HydrophobicContact CD2-CG 3.97Å; F73-M79 HydrophobicContact CD2-SD 4.11Å; F73-M79 HydrophobicContact CE2-CG 4.16Å; F73-M79 HydrophobicContact CG-CB 4.02Å; F73-M79 HydrophobicContact CG-CG 4.33Å; L76-M79 WeakPolarHBondContact O-CB 3.31Å; L76-M79 PolarHBondContact O-N 2.86Å; I77-M79 PolarHBondContact O-N 3.19Å; I77-M79 VanDerWaalsContact O-N 3.15Å; M79-G81 PolarHBondContact O-N 2.77Å; M79-I82 HydrophobicContact CG-CG1 4.43Å; M79-I82 WeakPolarHBondContact O-CB 3.38Å; M79-I82 VanDerWaalsContact O-CG1 3.26Å; M79-I82 WeakPolarHBondContact O-CG1 3.39Å; M79-I82 PolarHBondContact O-N 3.46Å
80V86.8Confident89.2Confident100 Ų10060.6 Ų60.661%0.60632%0.322SS*.THydrogen-bonded Turntrans-61.2130.2-179.9175.70000110.6I77 I82I77-V80 WeakPolarHBondContact O-CB 3.23Å; I77-V80 WeakPolarHBondContact O-CG2 3.01Å; I77-V80 PolarHBondContact O-N 2.87Å; V80-I82 VanDerWaalsContact C-N 3.33Å
81G88.9Confident89.3Confident18 Ų1859.8 Ų59.819%0.18632%0.317CS..THydrogen-bonded Turntrans73.621.1179.500000114M79 S91 I92M79-G81 PolarHBondContact O-N 2.77Å; G81-S91 CarbonylContact O-C 3.59Å; G81-S91 WeakPolarHBondContact O-CA 3.44Å; G81-I92 WeakPolarHBondContact O-CG1 3.48Å; G81-I92 PolarHBondContact O-N 2.65Å
82I92.5Very high89.3Confident18 Ų1858.6 Ų58.69%0.09231%0.31CS..EExtended strand (participates in β ladder)trans-86.5119.2169.5-59.7-68.4000109.2A64 F73 M79 V80 P89 A90A64-I82 HydrophobicContact CB-CG2 3.72Å; F73-I82 HydrophobicContact CE1-CD1 3.79Å; F73-I82 HydrophobicContact CE1-CG1 3.76Å; F73-I82 HydrophobicContact CE2-CG1 4.32Å; F73-I82 HydrophobicContact CE2-CG2 4.49Å; F73-I82 HydrophobicContact CZ-CB 4.31Å; F73-I82 HydrophobicContact CZ-CD1 3.66Å; F73-I82 HydrophobicContact CZ-CG1 3.49Å; F73-I82 VanDerWaalsContact CZ-CG1 3.49Å; F73-I82 HydrophobicContact CZ-CG2 4.1Å; M79-I82 HydrophobicContact CG-CG1 4.43Å; M79-I82 WeakPolarHBondContact O-CB 3.38Å; M79-I82 VanDerWaalsContact O-CG1 3.26Å; M79-I82 WeakPolarHBondContact O-CG1 3.39Å; M79-I82 PolarHBondContact O-N 3.46Å; V80-I82 VanDerWaalsContact C-N 3.33Å; I82-P89 HydrophobicContact CG2-CB 4.02Å; I82-A90 CarbonylContact C-O 3.51Å; I82-A90 WeakPolarHBondContact CA-O 3.49Å
83E92.5Very high89.4Confident67 Ų6760 Ų6031%0.31331%0.314SS..EExtended strand (participates in β ladder)trans-133161.3178-65.7-173.417200110.5Y36 A90 I92Y36-E83 WeakPolarHBondContact CB-OE2 3.41Å; Y36-E83 HydrophobicContact CD1-CB 3.74Å; Y36-E83 HydrophobicContact CE1-CB 4.47Å; Y36-E83 HydrophobicContact CG-CB 4.13Å; Y36-E83 VanDerWaalsContact CG-OE2 3.24Å; E83-A90 PolarHBondContact N-O 3.48Å; E83-A90 PolarHBondContact O-N 2.01Å; E83-A90 VanDerWaalsContact O-O 3.09Å; E83-I92 HydrophobicContact CB-CG2 3.72Å; E83-I92 HydrophobicContact CG-CG2 3.63Å; E83-I92 WeakPolarHBondContact OE2-CG2 3.35Å
84C93.6Very high89.7Confident1 Ų165.9 Ų65.91%0.00734%0.339CS..EExtended strand (participates in β ladder)trans-84.1126.7176.1-62.20000111.2Y36 H37 P39 C66 R88Y36-C84 WeakPolarHBondContact CA-O 3.39Å; Y36-C84 WeakPolarHBondContact CD1-O 3.28Å; H37-C84 WeakPolarHBondContact CE1-CB 3.14Å; H37-C84 PolarHBondContact N-O 3.49Å; H37-C84 VanDerWaalsContact N-O 3.1Å; H37-C84 VanDerWaalsContact ND1-CB 3.35Å; H37-C84 WeakPolarHBondContact ND1-CB 3.36Å; H37-C84 WeakPolarHBondContact NE2-CB 3.46Å; H37-C84 WeakPolarHBondContact O-CB 3.42Å; H37-C84 PolarHBondContact O-N 2.87Å; P39-C84 WeakPolarHBondContact CA-SG 3.37Å; C66-C84 VanDerWaalsContact CA-SG 3.53Å; C66-C84 HydrophobicContact CB-CB 3.73Å; C66-C84 WeakPolarHBondContact CB-SG 3.26Å; C66-C84 WeakPolarHBondContact SG-CA 3.47Å; C66-C84 WeakPolarHBondContact SG-CB 3.38Å; C66-C84 CovalentContact SG-SG 2.01Å; C66-C84 PolarHBondContact SG-SG 2.96Å; C84-R88 WeakPolarHBondContact CA-O 3.33Å
85C94.5Very high90.2Very high2 Ų261 Ų611%0.01432%0.317CS..EExtended strand (participates in β ladder)trans-103.399.3161.2-178.20000108.5Y36 D87 R88 C97 G100 E101 L102Y36-C85 HydrophobicContact CE1-CB 4.24Å; C85-D87 PolarHBondContact O-N 3.46Å; C85-R88 PolarHBondContact N-O 2.81Å; C85-R88 PolarHBondContact O-N 3.44Å; C85-R88 VanDerWaalsContact O-N 3.14Å; C85-C97 WeakPolarHBondContact CA-SG 3.45Å; C85-C97 HydrophobicContact CB-CB 3.5Å; C85-C97 WeakPolarHBondContact CB-SG 3.41Å; C85-C97 WeakPolarHBondContact SG-CA 3.46Å; C85-C97 WeakPolarHBondContact SG-CB 3.45Å; C85-C97 CovalentContact SG-SG 2.02Å; C85-C97 PolarHBondContact SG-SG 2.02Å; C85-G100 VanDerWaalsContact SG-C 3.58Å; C85-G100 PolarHBondContact SG-O 2.89Å; C85-E101 PolarHBondContact SG-O 3.18Å; C85-L102 HydrophobicContact CB-CB 4.27Å; C85-L102 HydrophobicContact CB-CD1 3.67Å
86G91.9Very high90.9Very high22 Ų2257.9 Ų57.923%0.22730%0.301CS..THydrogen-bonded Turntrans53.6-123.9-165.100000110.1H37 R88H37-G86 PolarHBondContact NE2-O 3.2Å; H37-G86 VanDerWaalsContact NE2-O 3.13Å; G86-R88 VanDerWaalsContact C-N 3.28Å; G86-R88 PolarHBondContact O-N 3.29Å
87D93.3Very high91.5Very high91 Ų9151.8 Ų51.849%0.48727%0.268SS..THydrogen-bonded Turntrans-86.911.4-175.4-56.6-28.4000113.8C66 N67 N69 C85C66-D87 VanDerWaalsContact CB-C 3.46Å; N67-D87 PolarHBondContact ND2-OD1 2.9Å; N69-D87 VanDerWaalsContact CB-O 3.23Å; N69-D87 WeakPolarHBondContact CB-O 3.41Å; N69-D87 PolarHBondContact ND2-O 3.14Å; C85-D87 PolarHBondContact O-N 3.46Å
88R93.2Very high92.1Very high150 Ų15045.2 Ų45.257%0.56624%0.235SC*.EExtended strand (participates in β ladder)trans-124.2125.1-172.2-64.7177.367177.10.4111.8C66 C84 C85 G86 A90C66-R88 VanDerWaalsContact SG-C 3.55Å; C84-R88 WeakPolarHBondContact CA-O 3.33Å; C85-R88 PolarHBondContact N-O 2.81Å; C85-R88 PolarHBondContact O-N 3.44Å; C85-R88 VanDerWaalsContact O-N 3.14Å; G86-R88 VanDerWaalsContact C-N 3.28Å; G86-R88 PolarHBondContact O-N 3.29Å; R88-A90 PolarHBondContact O-N 2.96Å
89P92.9Very high92.5Very high15 Ų1547.1 Ų47.110%0.09724%0.239CC..EExtended strand (participates in β ladder)trans-67133.1169.6-820.7000109.5A64 C66 N69 L71 I82A64-P89 WeakPolarHBondContact O-CG 2.98Å; C66-P89 HydrophobicContact CB-CG 4.08Å; C66-P89 WeakPolarHBondContact SG-CA 3.33Å; C66-P89 VanDerWaalsContact SG-CG 3.57Å; N69-P89 WeakPolarHBondContact O-CD 3.38Å; N69-P89 WeakPolarHBondContact O-CG 3.28Å; L71-P89 HydrophobicContact CB-CB 4.43Å; L71-P89 HydrophobicContact CD1-CB 3.93Å; L71-P89 WeakPolarHBondContact CD1-O 3.46Å; L71-P89 HydrophobicContact CG-CB 3.95Å; L71-P89 HydrophobicContact CG-CG 4.21Å; I82-P89 HydrophobicContact CG2-CB 4.02Å
90A93.2Very high92.7Very high3 Ų347.6 Ų47.63%0.02525%0.25CS..EExtended strand (participates in β ladder)trans-144154.1-177.200000111.4I82 E83 R88 N95 L102I82-A90 CarbonylContact C-O 3.51Å; I82-A90 WeakPolarHBondContact CA-O 3.49Å; E83-A90 PolarHBondContact N-O 3.48Å; E83-A90 PolarHBondContact O-N 2.01Å; E83-A90 VanDerWaalsContact O-O 3.09Å; R88-A90 PolarHBondContact O-N 2.96Å; A90-N95 HydrophobicContact CB-CB 4.12Å; A90-L102 HydrophobicContact CB-CD1 3.33Å; A90-L102 HydrophobicContact CB-CD2 4Å; A90-L102 HydrophobicContact CB-CG 4.33Å
91S92.4Very high93.1Very high20 Ų2047.4 Ų47.414%0.1424%0.243CC..EExtended strand (participates in β ladder)trans-85119.1175.91760000109.7G81 I93 K94 N95G81-S91 CarbonylContact O-C 3.59Å; G81-S91 WeakPolarHBondContact O-CA 3.44Å; S91-I93 PolarHBondContact O-N 3.13Å; S91-I93 PolarHBondContact OG-N 2.84Å; S91-K94 PolarHBondContact O-N 3.06Å; S91-N95 PolarHBondContact N-OD1 3.49Å; S91-N95 WeakPolarHBondContact O-CA 2.94Å; S91-N95 WeakPolarHBondContact O-CB 3.1Å; S91-N95 PolarHBondContact O-N 2.88Å; S91-N95 PolarHBondContact O-OD1 2.89Å
92I90.9Very high93.4Very high48 Ų4848.8 Ų48.825%0.24625%0.245CC..THydrogen-bonded Turntrans-61.8-13.317571.3-175.4000113.1Y36 G81 E83 R105Y36-I92 HydrophobicContact CD1-CG2 4.3Å; Y36-I92 HydrophobicContact CD2-CG2 4.32Å; Y36-I92 HydrophobicContact CE1-CG2 4.13Å; Y36-I92 HydrophobicContact CE2-CG2 4.15Å; Y36-I92 HydrophobicContact CG-CG2 4.4Å; G81-I92 WeakPolarHBondContact O-CG1 3.48Å; G81-I92 PolarHBondContact O-N 2.65Å; E83-I92 HydrophobicContact CB-CG2 3.72Å; E83-I92 HydrophobicContact CG-CG2 3.63Å; E83-I92 WeakPolarHBondContact OE2-CG2 3.35Å; I92-R105 PolarHBondContact O-NE 3.07Å; I92-R105 PolarHBondContact O-NH2 2.84Å
93I90Very high93.6Very high115 Ų11550.4 Ų50.459%0.5925%0.252SS*.THydrogen-bonded Turntrans-85.7-36.3177.4-55.2172.8000110.6S91 R105S91-I93 PolarHBondContact O-N 3.13Å; S91-I93 PolarHBondContact OG-N 2.84Å; I93-R105 WeakPolarHBondContact O-CD 3.35Å
94K93.6Very high93.8Very high148 Ų14852.4 Ų52.464%0.64327%0.266SS*.THydrogen-bonded Turntrans-98.6-28.4-176.7-63.9-176178.51790113S91 R105S91-K94 PolarHBondContact O-N 3.06Å; K94-R105 WeakPolarHBondContact O-CB 3.31Å; K94-R105 PolarHBondContact O-N 3.2Å
95N95.6Very high93.9Very high24 Ų2454.3 Ų54.313%0.12827%0.273CS..EExtended strand (participates in β ladder)trans-121.9155.4-170.5-55.1106.5000111.7Y36 A90 S91 L102 H103 D104 R105Y36-N95 PolarHBondContact OH-O 2.74Å; A90-N95 HydrophobicContact CB-CB 4.12Å; S91-N95 PolarHBondContact N-OD1 3.49Å; S91-N95 WeakPolarHBondContact O-CA 2.94Å; S91-N95 WeakPolarHBondContact O-CB 3.1Å; S91-N95 PolarHBondContact O-N 2.88Å; S91-N95 PolarHBondContact O-OD1 2.89Å; N95-L102 HydrophobicContact CB-CD1 3.58Å; N95-L102 HydrophobicContact CB-CG 4.41Å; N95-H103 CarbonylContact C-O 3.58Å; N95-H103 WeakPolarHBondContact CA-O 3.26Å; N95-H103 WeakPolarHBondContact CB-O 3.47Å; N95-H103 PolarHBondContact ND2-O 2.81Å; N95-D104 PolarHBondContact ND2-OD1 2.85Å; N95-D104 VanDerWaalsContact ND2-OD1 3.15Å; N95-R105 VanDerWaalsContact C-CG 3.46Å; N95-R105 WeakPolarHBondContact O-CD 3.44Å; N95-R105 WeakPolarHBondContact O-CG 3.48Å; N95-R105 PolarHBondContact O-NE 3.03Å
96I95.5Very high93.9Very high0 Ų061.9 Ų61.90%030%0.301CS..EExtended strand (participates in β ladder)trans-124.7135.3172.6-174.1169.8000107.9V34 Y36 H103 R105 D113 P120V34-I96 HydrophobicContact CG2-CD1 4.36Å; V34-I96 HydrophobicContact CG2-CG1 4.42Å; Y36-I96 WeakPolarHBondContact OH-CA 2.98Å; Y36-I96 PolarHBondContact OH-N 2.94Å; I96-H103 HydrophobicContact CG2-CB 3.85Å; I96-H103 PolarHBondContact N-O 2.76Å; I96-H103 PolarHBondContact O-N 3.43Å; I96-R105 HydrophobicContact CB-CG 3.87Å; I96-R105 HydrophobicContact CG2-CG 4.29Å; I96-D113 VanDerWaalsContact CD1-C 3.46Å; I96-P120 HydrophobicContact CG2-CB 3.76Å; I96-P120 HydrophobicContact CG2-CG 4.48Å
97C95.7Very high94Very high0 Ų066.5 Ų66.50%032%0.32CS..EExtended strand (participates in β ladder)trans-106.8113.1179-169.40000110.1V34 S35 Y36 C85 E101V34-C97 VanDerWaalsContact CA-O 3.28Å; V34-C97 WeakPolarHBondContact CA-O 3.19Å; S35-C97 PolarHBondContact N-O 3.07Å; S35-C97 VanDerWaalsContact N-O 3.1Å; S35-C97 PolarHBondContact O-SG 2.03Å; Y36-C97 HydrophobicContact CD1-CB 3.86Å; Y36-C97 HydrophobicContact CD2-CB 4.39Å; Y36-C97 HydrophobicContact CE1-CB 3.48Å; Y36-C97 VanDerWaalsContact CE1-CB 3.48Å; Y36-C97 HydrophobicContact CE2-CB 4.06Å; Y36-C97 HydrophobicContact CG-CB 4.29Å; Y36-C97 PolarHBondContact OH-N 2.75Å; C85-C97 WeakPolarHBondContact CA-SG 3.45Å; C85-C97 HydrophobicContact CB-CB 3.5Å; C85-C97 WeakPolarHBondContact CB-SG 3.41Å; C85-C97 WeakPolarHBondContact SG-CA 3.46Å; C85-C97 WeakPolarHBondContact SG-CB 3.45Å; C85-C97 CovalentContact SG-SG 2.02Å; C85-C97 PolarHBondContact SG-SG 2.02Å; C97-E101 CarbonylContact C-O 3.5Å; C97-E101 WeakPolarHBondContact CA-O 3.4Å
98C95.8Very high94Very high0 Ų064.8 Ų64.80%032%0.324CS..EExtended strand (participates in β ladder)trans-110.9107.2-179.2-64.50000109.8G100 E101 C115 T118C98-G100 PolarHBondContact O-N 3.2Å; C98-E101 PolarHBondContact N-O 3.1Å; C98-E101 WeakPolarHBondContact O-CB 3.26Å; C98-E101 PolarHBondContact O-N 3.33Å; C98-C115 WeakPolarHBondContact CA-SG 2.93Å; C98-C115 HydrophobicContact CB-CB 3.62Å; C98-C115 WeakPolarHBondContact CB-SG 3.47Å; C98-C115 WeakPolarHBondContact SG-CB 3.28Å; C98-C115 CovalentContact SG-SG 2.03Å; C98-C115 PolarHBondContact SG-SG 3.44Å; C98-T118 VanDerWaalsContact CB-C 3.48Å; C98-T118 WeakPolarHBondContact CB-O 3.42Å
99K93.3Very high94Very high124 Ų12468.6 Ų68.654%0.53934%0.34SS..THydrogen-bonded Turntrans48.642.6-176-65.9-172.1173.7-174.70113.5N33 S35 E101 T118N33-K99 PolarHBondContact O-N 3.1Å; S35-K99 PolarHBondContact OG-N 3.18Å; K99-E101 VanDerWaalsContact C-N 3.3Å; K99-E101 PolarHBondContact O-N 3.39Å; K99-T118 HydrophobicContact CB-CG2 3.97Å; K99-T118 HydrophobicContact CD-CG2 4.43Å
100G91.3Very high94.1Very high34 Ų3472.9 Ų72.935%0.35135%0.354SS..THydrogen-bonded Turntrans83.9-5.9-179.900000115.2S35 C85 C98S35-G100 PolarHBondContact OG-N 3.28Å; C85-G100 VanDerWaalsContact SG-C 3.58Å; C85-G100 PolarHBondContact SG-O 2.89Å; C98-G100 PolarHBondContact O-N 3.2Å
101E94.4Very high94.2Very high96 Ų9677.6 Ų77.645%0.44937%0.372SS..EExtended strand (participates in β ladder)trans-89.2127.5173.9-64.8-174.9-157.300110.8C85 C97 C98 K99 H103 T118C85-E101 PolarHBondContact SG-O 3.18Å; C97-E101 CarbonylContact C-O 3.5Å; C97-E101 WeakPolarHBondContact CA-O 3.4Å; C98-E101 PolarHBondContact N-O 3.1Å; C98-E101 WeakPolarHBondContact O-CB 3.26Å; C98-E101 PolarHBondContact O-N 3.33Å; K99-E101 VanDerWaalsContact C-N 3.3Å; K99-E101 PolarHBondContact O-N 3.39Å; E101-H103 WeakPolarHBondContact CB-NE2 3.43Å; E101-H103 PolarHBondContact O-CD2 2.96Å; E101-H103 IonicContact OE2-NE2 3.98Å; E101-T118 HydrophobicContact CG-CG2 4.26Å; E101-T118 VanDerWaalsContact OE1-CG2 3.26Å; E101-T118 WeakPolarHBondContact OE1-CG2 3.39Å
102L94.9Very high94.3Very high46 Ų4677.9 Ų77.924%0.24137%0.371CS..EExtended strand (participates in β ladder)trans-89.1125.3-176.9-174.668.6000110.9C85 A90 N95C85-L102 HydrophobicContact CB-CB 4.27Å; C85-L102 HydrophobicContact CB-CD1 3.67Å; A90-L102 HydrophobicContact CB-CD1 3.33Å; A90-L102 HydrophobicContact CB-CD2 4Å; A90-L102 HydrophobicContact CB-CG 4.33Å; N95-L102 HydrophobicContact CB-CD1 3.58Å; N95-L102 HydrophobicContact CB-CG 4.41Å
103H96.7Very high94.5Very high52 Ų5278.9 Ų78.924%0.24138%0.377CS..EExtended strand (participates in β ladder)trans-129.1161.5176.7-53.8-85.9000111.8N95 I96 E101 T118 P120N95-H103 CarbonylContact C-O 3.58Å; N95-H103 WeakPolarHBondContact CA-O 3.26Å; N95-H103 WeakPolarHBondContact CB-O 3.47Å; N95-H103 PolarHBondContact ND2-O 2.81Å; I96-H103 HydrophobicContact CG2-CB 3.85Å; I96-H103 PolarHBondContact N-O 2.76Å; I96-H103 PolarHBondContact O-N 3.43Å; E101-H103 WeakPolarHBondContact CB-NE2 3.43Å; E101-H103 PolarHBondContact O-CD2 2.96Å; E101-H103 IonicContact OE2-NE2 3.98Å; H103-T118 PolarHBondContact NE2-O 3.16Å; H103-P120 HydrophobicContact CB-CB 4.47Å; H103-P120 HydrophobicContact CB-CG 3.79Å
104D96.7Very high94.7Very high110 Ų11076.3 Ų76.359%0.58836%0.36SS*.EExtended strand (participates in β ladder)trans-78136.3169.6-66.2-39.3000110.5N95 R106N95-D104 PolarHBondContact ND2-OD1 2.85Å; N95-D104 VanDerWaalsContact ND2-OD1 3.15Å; D104-R106 PolarHBondContact O-N 3.36Å
105R95.7Very high94.8Very high41 Ų4169.4 Ų69.416%0.15533%0.33CS..SBendtrans-69.1-17.8174.3-80.5179.9176.9-110.610.9113.1I92 I93 K94 N95 I96 Y111 F112I92-R105 PolarHBondContact O-NE 3.07Å; I92-R105 PolarHBondContact O-NH2 2.84Å; I93-R105 WeakPolarHBondContact O-CD 3.35Å; K94-R105 WeakPolarHBondContact O-CB 3.31Å; K94-R105 PolarHBondContact O-N 3.2Å; N95-R105 VanDerWaalsContact C-CG 3.46Å; N95-R105 WeakPolarHBondContact O-CD 3.44Å; N95-R105 WeakPolarHBondContact O-CG 3.48Å; N95-R105 PolarHBondContact O-NE 3.03Å; I96-R105 HydrophobicContact CB-CG 3.87Å; I96-R105 HydrophobicContact CG2-CG 4.29Å; R105-Y111 HydrophobicContact CB-CD2 4.31Å; R105-Y111 HydrophobicContact CB-CE2 3.9Å; R105-Y111 PolarHBondContact NH1-OH 2.85Å; R105-Y111 CarbonylContact O-C 3.5Å; R105-Y111 VanDerWaalsContact O-CA 3.31Å; R105-Y111 WeakPolarHBondContact O-CA 3.45Å; R105-F112 WeakPolarHBondContact CG-O 3.03Å; R105-F112 PolarHBondContact O-N 3.03Å
106R95.9Very high94.8Very high160 Ų16068.3 Ų68.360%0.60433%0.325SS*.EExtended strand (participates in β ladder)trans-127.4124.8-174.8-174.8176.6-70.1-820.4110.5D104 G108 R110D104-R106 PolarHBondContact O-N 3.36Å; R106-G108 WeakPolarHBondContact CG-O 3.31Å; R106-R110 WeakPolarHBondContact CA-O 3.04Å
107N93.4Very high94.8Very high119 Ų11969 Ų6964%0.63633%0.332SS*.EExtended strand (participates in β ladder)trans-129.9106.9166.9-175.83.3000108.7Y109 R110 F112N107-Y109 PolarHBondContact O-N 3.27Å; N107-R110 PolarHBondContact N-O 2.93Å; N107-R110 PolarHBondContact O-N 3.2Å; N107-R110 VanDerWaalsContact O-N 3.11Å; N107-F112 HydrophobicContact CB-CE2 3.55Å; N107-F112 HydrophobicContact CB-CZ 4.05Å
108G93.2Very high94.7Very high55 Ų5571.3 Ų71.357%0.56735%0.346SS*.THydrogen-bonded Turntrans56.7-120.9-169.200000111.5R106R106-G108 WeakPolarHBondContact CG-O 3.31Å
109Y92.5Very high94.6Very high231 Ų23177.4 Ų77.491%0.90637%0.372SS*.THydrogen-bonded Turntrans-84.3-16.9-179.9-57.6-75.3000113.9N107N107-Y109 PolarHBondContact O-N 3.27Å
110R94.5Very high94.8Very high105 Ų10572.7 Ų72.740%0.39635%0.354SS..EExtended strand (participates in β ladder)trans-79.9139.8-177.2-70.9-169.4176.2128-6.8111.2R106 N107 F112 A122 D124 D134R106-R110 WeakPolarHBondContact CA-O 3.04Å; N107-R110 PolarHBondContact N-O 2.93Å; N107-R110 PolarHBondContact O-N 3.2Å; N107-R110 VanDerWaalsContact O-N 3.11Å; R110-F112 HydrophobicContact CB-CE1 4.43Å; R110-F112 HydrophobicContact CB-CZ 4.17Å; R110-A122 HydrophobicContact CB-CB 4.36Å; R110-D124 IonicContact CZ-OD2 3.57Å; R110-D124 IonicContact NE-OD1 3.83Å; R110-D124 IonicContact NE-OD2 2.81Å; R110-D124 PolarHBondContact NE-OD2 2.86Å; R110-D124 IonicContact NH2-OD2 3.06Å; R110-D134 IonicContact NH2-OD1 3.82Å
111Y95.5Very high95Very high102 Ų10271.6 Ų71.640%0.434%0.34SS..EExtended strand (participates in β ladder)trans-115.9117.2173-175.5-101.6000108.7R105 D113 A122R105-Y111 HydrophobicContact CB-CD2 4.31Å; R105-Y111 HydrophobicContact CB-CE2 3.9Å; R105-Y111 PolarHBondContact NH1-OH 2.85Å; R105-Y111 CarbonylContact O-C 3.5Å; R105-Y111 VanDerWaalsContact O-CA 3.31Å; R105-Y111 WeakPolarHBondContact O-CA 3.45Å; Y111-D113 HydrophobicContact CD1-CB 4.07Å; Y111-D113 HydrophobicContact CE1-CB 3.78Å; Y111-A122 WeakPolarHBondContact O-CA 3.34Å; Y111-A122 VanDerWaalsContact O-CB 3.26Å; Y111-A122 WeakPolarHBondContact O-CB 2.96Å
112F95.9Very high95Very high25 Ų2567.1 Ų67.111%0.1132%0.319CS..EExtended strand (participates in β ladder)trans-95120.2178.3-50.6-76.1000109.8R105 N107 R110 P120 A122R105-F112 WeakPolarHBondContact CG-O 3.03Å; R105-F112 PolarHBondContact O-N 3.03Å; N107-F112 HydrophobicContact CB-CE2 3.55Å; N107-F112 HydrophobicContact CB-CZ 4.05Å; R110-F112 HydrophobicContact CB-CE1 4.43Å; R110-F112 HydrophobicContact CB-CZ 4.17Å; F112-P120 HydrophobicContact CB-CB 3.78Å; F112-P120 HydrophobicContact CD1-CB 4.34Å; F112-P120 HydrophobicContact CG-CB 4.05Å; F112-A122 HydrophobicContact CD1-CB 3.89Å; F112-A122 HydrophobicContact CE1-CB 4.17Å
113D94.2Very high94.9Very high69 Ų6969.1 Ų69.137%0.36934%0.342SS..EExtended strand (participates in β ladder)trans-124.8-3-177.262.5-24.2000112.8I96 Y111I96-D113 VanDerWaalsContact CD1-C 3.46Å; Y111-D113 HydrophobicContact CD1-CB 4.07Å; Y111-D113 HydrophobicContact CE1-CB 3.78Å
114R95.1Very high94.8Very high61 Ų6169 Ų6923%0.2334%0.343CS..EExtended strand (participates in β ladder)trans-137.9161.4-175.1-57.8176.575178.3-6.7111.3Y31 P120 Y121Y31-R114 PolarHBondContact OH-NH1 3.39Å; Y31-R114 PolarHBondContact OH-NH2 2.02Å; R114-P120 CarbonylContact O-C 3.53Å; R114-P120 VanDerWaalsContact O-CA 3.31Å; R114-P120 WeakPolarHBondContact O-CA 3.21Å; R114-Y121 HydrophobicContact CB-CD1 3.91Å; R114-Y121 HydrophobicContact CB-CE1 3.39Å; R114-Y121 HydrophobicContact CB-CE2 4.06Å; R114-Y121 HydrophobicContact CB-CG 4.45Å; R114-Y121 VanDerWaalsContact CB-CZ 3.48Å; R114-Y121 PolarHBondContact N-O 3.35Å; R114-Y121 PolarHBondContact NE-OH 2.82Å; R114-Y121 PolarHBondContact NH2-OH 3.5Å; R114-Y121 PolarHBondContact O-N 3.32Å
115C96.3Very high94.7Very high4 Ų464.9 Ų64.93%0.02732%0.321CS..EExtended strand (participates in β ladder)trans-123133-177.5-63.60000111.6N33 C98 K119N33-C115 HydrophobicContact CB-CB 3.67Å; C98-C115 WeakPolarHBondContact CA-SG 2.93Å; C98-C115 HydrophobicContact CB-CB 3.62Å; C98-C115 WeakPolarHBondContact CB-SG 3.47Å; C98-C115 WeakPolarHBondContact SG-CB 3.28Å; C98-C115 CovalentContact SG-SG 2.03Å; C98-C115 PolarHBondContact SG-SG 3.44Å; C115-K119 CarbonylContact C-O 3.5Å; C115-K119 WeakPolarHBondContact CA-O 3.15Å
116C95.5Very high94.7Very high1 Ų164.1 Ų64.11%0.00732%0.32CS..EExtended strand (participates in β ladder)trans-11089.6172.4-1710000107.8T118 K119 Y121 C127 G130 V132C116-T118 PolarHBondContact O-N 2.81Å; C116-K119 PolarHBondContact N-O 3.43Å; C116-K119 PolarHBondContact O-N 2.83Å; C116-K119 VanDerWaalsContact O-N 3.07Å; C116-Y121 HydrophobicContact CB-CD1 3.76Å; C116-Y121 HydrophobicContact CB-CE1 4.16Å; C116-C127 WeakPolarHBondContact CA-SG 3.03Å; C116-C127 HydrophobicContact CB-CB 3.55Å; C116-C127 WeakPolarHBondContact CB-SG 3.28Å; C116-C127 WeakPolarHBondContact SG-CB 3.28Å; C116-C127 CovalentContact SG-SG 2.02Å; C116-C127 PolarHBondContact SG-SG 3.24Å; C116-G130 VanDerWaalsContact SG-CA 3.54Å; C116-V132 HydrophobicContact CB-CG2 3.5Å; C116-V132 VanDerWaalsContact CB-CG2 3.5Å
117G93.8Very high94.6Very high15 Ų1557.2 Ų57.216%0.15530%0.297CS..THydrogen-bonded Turntrans62.1-124-163.800000110.7K119G117-K119 VanDerWaalsContact C-N 3.35Å
118T94.5Very high94.7Very high48 Ų4851.6 Ų51.629%0.29427%0.267SS..THydrogen-bonded Turntrans-85-6.3175.959.20000113.1C98 K99 E101 H103 C116C98-T118 VanDerWaalsContact CB-C 3.48Å; C98-T118 WeakPolarHBondContact CB-O 3.42Å; K99-T118 HydrophobicContact CB-CG2 3.97Å; K99-T118 HydrophobicContact CD-CG2 4.43Å; E101-T118 HydrophobicContact CG-CG2 4.26Å; E101-T118 VanDerWaalsContact OE1-CG2 3.26Å; E101-T118 WeakPolarHBondContact OE1-CG2 3.39Å; H103-T118 PolarHBondContact NE2-O 3.16Å; C116-T118 PolarHBondContact O-N 2.81Å
119K94.5Very high94.7Very high128 Ų12852.6 Ų52.656%0.55727%0.265SS*.EExtended strand (participates in β ladder)trans-97.2128-174.6-66.2-179.8-178.5175.70111.6C115 C116 G117 V132C115-K119 CarbonylContact C-O 3.5Å; C115-K119 WeakPolarHBondContact CA-O 3.15Å; C116-K119 PolarHBondContact N-O 3.43Å; C116-K119 PolarHBondContact O-N 2.83Å; C116-K119 VanDerWaalsContact O-N 3.07Å; G117-K119 VanDerWaalsContact C-N 3.35Å; K119-V132 HydrophobicContact CB-CG2 4.29Å
120P96Very high94.7Very high25 Ų2543.7 Ų43.716%0.16224%0.243CC..EExtended strand (participates in β ladder)trans-69.8145.2170.631.2-36000110.6I96 H103 F112 R114I96-P120 HydrophobicContact CG2-CB 3.76Å; I96-P120 HydrophobicContact CG2-CG 4.48Å; H103-P120 HydrophobicContact CB-CB 4.47Å; H103-P120 HydrophobicContact CB-CG 3.79Å; F112-P120 HydrophobicContact CB-CB 3.78Å; F112-P120 HydrophobicContact CD1-CB 4.34Å; F112-P120 HydrophobicContact CG-CB 4.05Å; R114-P120 CarbonylContact O-C 3.53Å; R114-P120 VanDerWaalsContact O-CA 3.31Å; R114-P120 WeakPolarHBondContact O-CA 3.21Å
121Y95.6Very high94.6Very high11 Ų1144.7 Ų44.74%0.04325%0.25CS..EExtended strand (participates in β ladder)trans-138.7153.7172.976.5-83.5000111.5R114 C116 Q125 C127R114-Y121 HydrophobicContact CB-CD1 3.91Å; R114-Y121 HydrophobicContact CB-CE1 3.39Å; R114-Y121 HydrophobicContact CB-CE2 4.06Å; R114-Y121 HydrophobicContact CB-CG 4.45Å; R114-Y121 VanDerWaalsContact CB-CZ 3.48Å; R114-Y121 PolarHBondContact N-O 3.35Å; R114-Y121 PolarHBondContact NE-OH 2.82Å; R114-Y121 PolarHBondContact NH2-OH 3.5Å; R114-Y121 PolarHBondContact O-N 3.32Å; C116-Y121 HydrophobicContact CB-CD1 3.76Å; C116-Y121 HydrophobicContact CB-CE1 4.16Å; Y121-Q125 HydrophobicContact CD2-CB 4.17Å; Y121-C127 HydrophobicContact CD1-CB 4.35Å; Y121-C127 HydrophobicContact CE1-CB 3.95Å
122A95.4Very high94.6Very high2 Ų241.5 Ų41.52%0.01724%0.242CC..EExtended strand (participates in β ladder)trans-100.2169.3-174.200000111.5R110 Y111 F112 D124 Q125R110-A122 HydrophobicContact CB-CB 4.36Å; Y111-A122 WeakPolarHBondContact O-CA 3.34Å; Y111-A122 VanDerWaalsContact O-CB 3.26Å; Y111-A122 WeakPolarHBondContact O-CB 2.96Å; F112-A122 HydrophobicContact CD1-CB 3.89Å; F112-A122 HydrophobicContact CE1-CB 4.17Å; A122-D124 WeakPolarHBondContact CB-OD1 3.37Å; A122-D124 PolarHBondContact O-N 2.8Å; A122-D124 VanDerWaalsContact O-N 3.16Å; A122-Q125 HydrophobicContact CB-CG 4.48Å; A122-Q125 WeakPolarHBondContact O-CB 3.5Å; A122-Q125 PolarHBondContact O-N 3.46Å
123A92.6Very high94.6Very high87 Ų8742 Ų4272%0.71924%0.244SC*.THydrogen-bonded Turntrans-62.8-20.4-178.400000114.5Q125A123-Q125 VanDerWaalsContact C-N 3.27Å
124D93.7Very high94.6Very high50 Ų5043.8 Ų43.827%0.26725%0.254SS..THydrogen-bonded Turntrans-8912.9173.867-36.9000113.2R110 A122 G135 V136R110-D124 IonicContact CZ-OD2 3.57Å; R110-D124 IonicContact NE-OD1 3.83Å; R110-D124 IonicContact NE-OD2 2.81Å; R110-D124 PolarHBondContact NE-OD2 2.86Å; R110-D124 IonicContact NH2-OD2 3.06Å; A122-D124 WeakPolarHBondContact CB-OD1 3.37Å; A122-D124 PolarHBondContact O-N 2.8Å; A122-D124 VanDerWaalsContact O-N 3.16Å; D124-G135 CarbonylContact C-O 3.53Å; D124-G135 CarbonylContact O-C 3.51Å; D124-G135 WeakPolarHBondContact O-CA 3.26Å; D124-G135 PolarHBondContact O-N 2.74Å; D124-G135 VanDerWaalsContact O-O 3.07Å; D124-V136 HydrophobicContact CB-CG2 3.84Å
125Q95.1Very high94.4Very high24 Ų2442 Ų4211%0.11226%0.255CS..EExtended strand (participates in β ladder)trans-130.2159.3-179.4-55.2-178.4-64.900110.3Y121 A122 A123 V132 H133 D134Y121-Q125 HydrophobicContact CD2-CB 4.17Å; A122-Q125 HydrophobicContact CB-CG 4.48Å; A122-Q125 WeakPolarHBondContact O-CB 3.5Å; A122-Q125 PolarHBondContact O-N 3.46Å; A123-Q125 VanDerWaalsContact C-N 3.27Å; Q125-V132 HydrophobicContact CB-CG1 3.87Å; Q125-V132 HydrophobicContact CG-CG1 4.33Å; Q125-H133 CarbonylContact C-O 3.57Å; Q125-H133 VanDerWaalsContact CA-O 3.24Å; Q125-H133 WeakPolarHBondContact CA-O 3.24Å; Q125-H133 WeakPolarHBondContact CB-O 3.43Å; Q125-D134 PolarHBondContact NE2-OD1 2.76Å
126T94.9Very high94.1Very high24 Ų2447.4 Ų47.415%0.14729%0.287CS..EExtended strand (participates in β ladder)trans-129.7134.9179.8-60.80000110.1H133 L138T126-H133 PolarHBondContact N-O 3.09Å; T126-H133 PolarHBondContact O-N 2.04Å; T126-L138 HydrophobicContact CG2-CB 4.35Å; T126-L138 PolarHBondContact OG1-O 3.06Å
127C95.2Very high93.6Very high16 Ų1649.4 Ų49.411%0.10831%0.308CS..EExtended strand (participates in β ladder)trans-94.2119.7174.3-1800000110.1C116 Y121 K131 C140C116-C127 WeakPolarHBondContact CA-SG 3.03Å; C116-C127 HydrophobicContact CB-CB 3.55Å; C116-C127 WeakPolarHBondContact CB-SG 3.28Å; C116-C127 WeakPolarHBondContact SG-CB 3.28Å; C116-C127 CovalentContact SG-SG 2.02Å; C116-C127 PolarHBondContact SG-SG 3.24Å; Y121-C127 HydrophobicContact CD1-CB 4.35Å; Y121-C127 HydrophobicContact CE1-CB 3.95Å; C127-K131 CarbonylContact C-O 3.59Å; C127-K131 WeakPolarHBondContact CA-O 3.03Å; C127-C140 PolarHBondContact O-SG 3.22Å
128C95.3Very high93.6Very high1 Ų150.5 Ų50.51%0.00731%0.31CS..EExtended strand (participates in β ladder)trans-123.4115.7174.6-57.60000109.8G130 K131 C140C128-G130 VanDerWaalsContact C-N 3.25Å; C128-G130 PolarHBondContact O-N 3.37Å; C128-K131 PolarHBondContact N-O 3.22Å; C128-K131 WeakPolarHBondContact O-CB 3.42Å; C128-K131 PolarHBondContact O-N 2.8Å; C128-C140 WeakPolarHBondContact CA-SG 3.43Å; C128-C140 HydrophobicContact CB-CB 3.66Å; C128-C140 WeakPolarHBondContact CB-SG 2.98Å; C128-C140 WeakPolarHBondContact SG-CA 3.39Å; C128-C140 WeakPolarHBondContact SG-CB 3.33Å; C128-C140 CovalentContact SG-SG 2.04Å; C128-C140 PolarHBondContact SG-SG 3.02Å
129S93Very high93.6Very high75 Ų7549.1 Ų49.152%0.52430%0.304SS..THydrogen-bonded Turntrans47.145.5-178.4-56.60000113.5K131 G142S129-K131 VanDerWaalsContact C-N 3.3Å; S129-K131 PolarHBondContact O-N 3.29Å; S129-G142 PolarHBondContact OG-O 3.22Å
130G92.1Very high93.6Very high44 Ų4445.7 Ų45.745%0.45430%0.295SS..THydrogen-bonded Turntrans79.62.7179.600000115.6C116 C128C116-G130 VanDerWaalsContact SG-CA 3.54Å; C128-G130 VanDerWaalsContact C-N 3.25Å; C128-G130 PolarHBondContact O-N 3.37Å
131K93.5Very high93.6Very high126 Ų12644.6 Ų44.655%0.54829%0.288SS..EExtended strand (participates in β ladder)trans-106.1128.5173.6-172.2174.7177.8-179.90111.1C127 C128 S129 H133C127-K131 CarbonylContact C-O 3.59Å; C127-K131 WeakPolarHBondContact CA-O 3.03Å; C128-K131 PolarHBondContact N-O 3.22Å; C128-K131 WeakPolarHBondContact O-CB 3.42Å; C128-K131 PolarHBondContact O-N 2.8Å; S129-K131 VanDerWaalsContact C-N 3.3Å; S129-K131 PolarHBondContact O-N 3.29Å; K131-H133 PolarHBondContact O-CD2 3.23Å; K131-H133 VanDerWaalsContact O-CD2 3.27Å
132V94.7Very high93.4Very high36 Ų3644.8 Ų44.822%0.21829%0.293CS..EExtended strand (participates in β ladder)trans-83.1130.4174.3-177.10000109.3C116 K119 Q125C116-V132 HydrophobicContact CB-CG2 3.5Å; C116-V132 VanDerWaalsContact CB-CG2 3.5Å; K119-V132 HydrophobicContact CB-CG2 4.29Å; Q125-V132 HydrophobicContact CB-CG1 3.87Å; Q125-V132 HydrophobicContact CG-CG1 4.33Å
133H95.7Very high93.3Very high36 Ų3651.2 Ų51.217%0.16732%0.323CS..EExtended strand (participates in β ladder)trans-119.9135.9175.8-62.2-95.7000109.8Q125 T126 K131 L138 E143 A145Q125-H133 CarbonylContact C-O 3.57Å; Q125-H133 VanDerWaalsContact CA-O 3.24Å; Q125-H133 WeakPolarHBondContact CA-O 3.24Å; Q125-H133 WeakPolarHBondContact CB-O 3.43Å; T126-H133 PolarHBondContact N-O 3.09Å; T126-H133 PolarHBondContact O-N 2.04Å; K131-H133 PolarHBondContact O-CD2 3.23Å; K131-H133 VanDerWaalsContact O-CD2 3.27Å; H133-L138 HydrophobicContact CB-CD1 4.28Å; H133-E143 PolarHBondContact CE1-O 2.84Å; H133-E143 PolarHBondContact NE2-O 3.11Å; H133-A145 HydrophobicContact CB-CB 3.48Å; H133-A145 VanDerWaalsContact CB-CB 3.48Å; H133-A145 VanDerWaalsContact CG-CB 3.41Å
134D94.6Very high93.3Very high105 Ų10549.8 Ų49.856%0.56131%0.308SS*.EExtended strand (participates in β ladder)trans-80.4132.5177-69.8-51000111R110 Q125 L138R110-D134 IonicContact NH2-OD1 3.82Å; Q125-D134 PolarHBondContact NE2-OD1 2.76Å; D134-L138 WeakPolarHBondContact O-CD1 3.37Å
135G91.2Very high93.4Very high25 Ų2548.6 Ų48.626%0.25830%0.304SS..  trans144.6137176.200000112.1D124D124-G135 CarbonylContact C-O 3.53Å; D124-G135 CarbonylContact O-C 3.51Å; D124-G135 WeakPolarHBondContact O-CA 3.26Å; D124-G135 PolarHBondContact O-N 2.74Å; D124-G135 VanDerWaalsContact O-O 3.07Å
136V88.3Confident93.4Very high117 Ų11749.3 Ų49.371%0.70931%0.307SS*.THydrogen-bonded Turntrans-77.7135.6175.5-1780000109.2D124 L138D124-V136 HydrophobicContact CB-CG2 3.84Å; V136-L138 VanDerWaalsContact C-N 3.33Å; V136-L138 PolarHBondContact O-N 3.18Å
137G85.4Confident93.2Very high42 Ų4251.6 Ų51.643%0.43332%0.318SS..THydrogen-bonded Turntrans72.921.4171.600000114.9
138L94.4Very high92.8Very high38 Ų3855.8 Ų55.820%0.19934%0.338CS..EExtended strand (participates in β ladder)trans-75.3152.4172.7-53.1178000110.9T126 H133 D134 V136 A145 Y146 D147T126-L138 HydrophobicContact CG2-CB 4.35Å; T126-L138 PolarHBondContact OG1-O 3.06Å; H133-L138 HydrophobicContact CB-CD1 4.28Å; D134-L138 WeakPolarHBondContact O-CD1 3.37Å; V136-L138 VanDerWaalsContact C-N 3.33Å; V136-L138 PolarHBondContact O-N 3.18Å; L138-A145 HydrophobicContact CB-CB 4.13Å; L138-A145 HydrophobicContact CD1-CB 3.83Å; L138-Y146 CarbonylContact C-O 3.08Å; L138-Y146 WeakPolarHBondContact CA-O 2.88Å; L138-D147 HydrophobicContact CD2-CB 4.31Å
139A94Very high92.4Very high20 Ų2063.2 Ų63.217%0.16537%0.373CS..EExtended strand (participates in β ladder)trans-118.3162.9165.600000111.5A145 Y146 L148A139-A145 CarbonylContact O-C 3.51Å; A139-A145 VanDerWaalsContact O-CA 3.28Å; A139-A145 WeakPolarHBondContact O-CA 3.45Å; A139-Y146 HydrophobicContact CB-CD1 4.46Å; A139-Y146 HydrophobicContact CB-CE1 3.91Å; A139-Y146 PolarHBondContact N-O 3.35Å; A139-Y146 WeakPolarHBondContact O-CD1 2.95Å; A139-Y146 PolarHBondContact O-N 2.88Å; A139-L148 HydrophobicContact CB-CD1 3.73Å; A139-L148 HydrophobicContact CB-CD2 3.31Å; A139-L148 HydrophobicContact CB-CG 3.33Å
140C95.6Very high92.1Very high56 Ų5661.3 Ų61.338%0.37836%0.359SS..EExtended strand (participates in β ladder)trans-94139179.4-59.20000112.2C127 C128 S144C127-C140 PolarHBondContact O-SG 3.22Å; C128-C140 WeakPolarHBondContact CA-SG 3.43Å; C128-C140 HydrophobicContact CB-CB 3.66Å; C128-C140 WeakPolarHBondContact CB-SG 2.98Å; C128-C140 WeakPolarHBondContact SG-CA 3.39Å; C128-C140 WeakPolarHBondContact SG-CB 3.33Å; C128-C140 CovalentContact SG-SG 2.04Å; C128-C140 PolarHBondContact SG-SG 3.02Å; C140-S144 CarbonylContact C-O 3.56Å; C140-S144 WeakPolarHBondContact CA-O 3.3Å
141C95.4Very high91.8Very high2 Ų270.6 Ų70.61%0.01438%0.381CS..EExtended strand (participates in β ladder)trans-129.994.8165.5-169.60000108.2E143 S144 Y146 C155 Q158 Q159 L160C141-E143 PolarHBondContact O-N 3.13Å; C141-S144 PolarHBondContact N-O 2.86Å; C141-S144 PolarHBondContact O-N 3.18Å; C141-S144 VanDerWaalsContact O-N 3.07Å; C141-Y146 HydrophobicContact CB-CD1 3.91Å; C141-Y146 HydrophobicContact CB-CE1 3.85Å; C141-C155 WeakPolarHBondContact CA-SG 3.22Å; C141-C155 HydrophobicContact CB-CB 3.59Å; C141-C155 WeakPolarHBondContact CB-SG 3.36Å; C141-C155 WeakPolarHBondContact SG-CA 3.29Å; C141-C155 WeakPolarHBondContact SG-CB 2.95Å; C141-C155 CovalentContact SG-SG 2.02Å; C141-C155 PolarHBondContact SG-SG 3Å; C141-Q158 CarbonylContact C-O 3.57Å; C141-Q159 PolarHBondContact SG-O 3.27Å; C141-Q159 VanDerWaalsContact SG-O 3.35Å; C141-L160 HydrophobicContact CB-CB 3.98Å; C141-L160 HydrophobicContact CB-CD1 4.08Å; C141-L160 PolarHBondContact SG-N 3.42Å; C141-L160 VanDerWaalsContact SG-N 3.37Å
142G92Very high91.6Very high15 Ų1570 Ų7016%0.15538%0.379CS..THydrogen-bonded Turntrans57.1-126.6-164.700000110.1S129 S144S129-G142 PolarHBondContact OG-O 3.22Å; G142-S144 VanDerWaalsContact C-N 3.32Å
143E91.9Very high91.5Very high137 Ų13772 Ų7264%0.6438%0.384SS*.THydrogen-bonded Turntrans-80-11.7179.2-52-170.6159.600114.1H133 C141H133-E143 PolarHBondContact CE1-O 2.84Å; H133-E143 PolarHBondContact NE2-O 3.11Å; C141-E143 PolarHBondContact O-N 3.13Å
144S93.8Very high91.3Very high57 Ų5772 Ų7240%0.39939%0.385SS..EExtended strand (participates in β ladder)trans-91.8138.2-175.7-63.90000111.4C140 C141 G142C140-S144 CarbonylContact C-O 3.56Å; C140-S144 WeakPolarHBondContact CA-O 3.3Å; C141-S144 PolarHBondContact N-O 2.86Å; C141-S144 PolarHBondContact O-N 3.18Å; C141-S144 VanDerWaalsContact O-N 3.07Å; G142-S144 VanDerWaalsContact C-N 3.32Å
145A94.9Very high91.3Very high24 Ų2468.8 Ų68.820%0.19837%0.37CS..EExtended strand (participates in β ladder)trans-94.6141.6166.700000110.4H133 L138 A139H133-A145 HydrophobicContact CB-CB 3.48Å; H133-A145 VanDerWaalsContact CB-CB 3.48Å; H133-A145 VanDerWaalsContact CG-CB 3.41Å; L138-A145 HydrophobicContact CB-CB 4.13Å; L138-A145 HydrophobicContact CD1-CB 3.83Å; A139-A145 CarbonylContact O-C 3.51Å; A139-A145 VanDerWaalsContact O-CA 3.28Å; A139-A145 WeakPolarHBondContact O-CA 3.45Å
146Y94.8Very high91.5Very high40 Ų4067.7 Ų67.716%0.15736%0.358CS..EExtended strand (participates in β ladder)trans-143153176.975-76000111.2L138 A139 C141 L148 K153 C155 L160L138-Y146 CarbonylContact C-O 3.08Å; L138-Y146 WeakPolarHBondContact CA-O 2.88Å; A139-Y146 HydrophobicContact CB-CD1 4.46Å; A139-Y146 HydrophobicContact CB-CE1 3.91Å; A139-Y146 PolarHBondContact N-O 3.35Å; A139-Y146 WeakPolarHBondContact O-CD1 2.95Å; A139-Y146 PolarHBondContact O-N 2.88Å; C141-Y146 HydrophobicContact CB-CD1 3.91Å; C141-Y146 HydrophobicContact CB-CE1 3.85Å; Y146-L148 HydrophobicContact CE2-CD2 4.12Å; Y146-L148 PolarHBondContact O-N 3.22Å; Y146-K153 HydrophobicContact CD2-CB 3.92Å; Y146-C155 HydrophobicContact CE1-CB 4.08Å; Y146-L160 HydrophobicContact CD1-CD1 3.77Å; Y146-L160 HydrophobicContact CD2-CD1 4.02Å; Y146-L160 HydrophobicContact CE1-CD1 4.37Å; Y146-L160 HydrophobicContact CG-CD1 3.58Å; Y146-L160 HydrophobicContact CG-CD2 4.46Å
147D92.2Very high91.7Very high72 Ų7267.7 Ų67.739%0.38535%0.351SS..EExtended strand (participates in β ladder)trans-71.3118175.1179.12.3000110.1L138 H149 S150L138-D147 HydrophobicContact CD2-CB 4.31Å; D147-H149 PolarHBondContact O-N 2.02Å; D147-H149 WeakPolarHBondContact OD1-CB 3.4Å; D147-H149 IonicContact OD1-CD2 3.67Å; D147-H149 IonicContact OD1-CG 3.83Å; D147-H149 PolarHBondContact OD1-N 2.86Å; D147-S150 VanDerWaalsContact O-CB 3.3Å; D147-S150 WeakPolarHBondContact O-CB 3.02Å; D147-S150 PolarHBondContact O-N 2.97Å
148L85.9Confident92Very high103 Ų10372.2 Ų72.254%0.53936%0.361SS..THydrogen-bonded Turntrans-61.1-23.9176.7-78.2175.4000113.2A139 Y146A139-L148 HydrophobicContact CB-CD1 3.73Å; A139-L148 HydrophobicContact CB-CD2 3.31Å; A139-L148 HydrophobicContact CB-CG 3.33Å; Y146-L148 HydrophobicContact CE2-CD2 4.12Å; Y146-L148 PolarHBondContact O-N 3.22Å
149H87.1Confident91.9Very high157 Ų15775.3 Ų75.373%0.72737%0.374SS*.THydrogen-bonded Turntrans-87.9-7.3178.9-58.3-59.7000112.8D147 R151D147-H149 PolarHBondContact O-N 2.02Å; D147-H149 WeakPolarHBondContact OD1-CB 3.4Å; D147-H149 IonicContact OD1-CD2 3.67Å; D147-H149 IonicContact OD1-CG 3.83Å; D147-H149 PolarHBondContact OD1-N 2.86Å; H149-R151 PolarHBondContact O-N 2.82Å
150S87.6Confident91.9Very high35 Ų3576.8 Ų76.825%0.24538%0.379CS..  trans-72110176.1165.90000111D147 K152 K153D147-S150 VanDerWaalsContact O-CB 3.3Å; D147-S150 WeakPolarHBondContact O-CB 3.02Å; D147-S150 PolarHBondContact O-N 2.97Å; S150-K152 PolarHBondContact O-N 2.03Å; S150-K152 VanDerWaalsContact O-N 3.11Å; S150-K152 PolarHBondContact OG-N 2.56Å; S150-K153 PolarHBondContact O-N 3.3Å; S150-K153 WeakPolarHBondContact OG-CG 3.39Å; S150-K153 PolarHBondContact OG-N 3.18Å
151R84.4Confident91.8Very high239 Ų23977.6 Ų77.690%0.90238%0.375SS*.THydrogen-bonded Turntrans-65.5-11.7172.9-53.6-172.6-154.5-1765.8114.1H149H149-R151 PolarHBondContact O-N 2.82Å
152K89.5Confident91.7Very high115 Ų11581.4 Ų81.450%0.540%0.398SS..THydrogen-bonded Turntrans-95.90.1179.9-65-158.9177.6-142.10113.5S150 T162 V163 D165S150-K152 PolarHBondContact O-N 2.03Å; S150-K152 VanDerWaalsContact O-N 3.11Å; S150-K152 PolarHBondContact OG-N 2.56Å; K152-T162 CarbonylContact O-C 3.59Å; K152-T162 VanDerWaalsContact O-CA 3.29Å; K152-T162 WeakPolarHBondContact O-CA 3.2Å; K152-V163 PolarHBondContact O-N 3.34Å; K152-D165 IonicContact NZ-OD1 3.78Å; K152-D165 PolarHBondContact NZ-OD1 2.85Å
153K92.8Very high91.6Very high77 Ų7781.6 Ų81.634%0.33540%0.396SS..EExtended strand (participates in β ladder)trans-125.2139.4-177-64.4-65.1-178.3178.80109.5Y146 S150 L160 Y161 T162Y146-K153 HydrophobicContact CD2-CB 3.92Å; S150-K153 PolarHBondContact O-N 3.3Å; S150-K153 WeakPolarHBondContact OG-CG 3.39Å; S150-K153 PolarHBondContact OG-N 3.18Å; K153-L160 HydrophobicContact CB-CD1 4.32Å; K153-Y161 WeakPolarHBondContact CA-O 3.48Å; K153-T162 PolarHBondContact NZ-OG1 3.34Å
154I92.3Very high91.5Very high37 Ų3777.3 Ų77.319%0.1938%0.38CS..EExtended strand (participates in β ladder)trans-146141.5176.6-175170.6000108.7Y161 V163 T170 L177I154-Y161 PolarHBondContact N-O 2.84Å; I154-Y161 PolarHBondContact O-N 3.2Å; I154-V163 HydrophobicContact CB-CG2 4.31Å; I154-V163 HydrophobicContact CG2-CG2 3.8Å; I154-T170 HydrophobicContact CD1-CG2 4.22Å; I154-T170 HydrophobicContact CG2-CG2 4.25Å; I154-L177 HydrophobicContact CD1-CD2 4.48Å; I154-L177 HydrophobicContact CG2-CD1 4Å; I154-L177 HydrophobicContact CG2-CD2 3.47Å; I154-L177 VanDerWaalsContact CG2-CD2 3.47Å; I154-L177 HydrophobicContact CG2-CG 4.38Å
155C94.6Very high91.2Very high36 Ų3681.2 Ų81.224%0.24340%0.396CS..EExtended strand (participates in β ladder)trans-103.2126.3176.2-174.20000110.4C141 Y146 Q159 C172C141-C155 WeakPolarHBondContact CA-SG 3.22Å; C141-C155 HydrophobicContact CB-CB 3.59Å; C141-C155 WeakPolarHBondContact CB-SG 3.36Å; C141-C155 WeakPolarHBondContact SG-CA 3.29Å; C141-C155 WeakPolarHBondContact SG-CB 2.95Å; C141-C155 CovalentContact SG-SG 2.02Å; C141-C155 PolarHBondContact SG-SG 3Å; Y146-C155 HydrophobicContact CE1-CB 4.08Å; C155-Q159 WeakPolarHBondContact CA-O 3.39Å; C155-C172 PolarHBondContact O-SG 3.43Å; C155-C172 VanDerWaalsContact O-SG 3.34Å
156C94.3Very high90.7Very high2 Ų285.7 Ų85.71%0.01442%0.417CS..EExtended strand (participates in β ladder)trans-127.7115.2176.3-57.40000109.5Q158 Q159 Y161 C172 G174 L177C156-Q158 VanDerWaalsContact C-N 3.29Å; C156-Q158 PolarHBondContact O-N 3.46Å; C156-Q159 PolarHBondContact N-O 2.89Å; C156-Q159 WeakPolarHBondContact O-CA 3.42Å; C156-Q159 WeakPolarHBondContact O-CB 3.5Å; C156-Q159 PolarHBondContact O-N 3.03Å; C156-Y161 HydrophobicContact CB-CD2 4.19Å; C156-Y161 HydrophobicContact CB-CE2 4.07Å; C156-C172 WeakPolarHBondContact CA-SG 3.03Å; C156-C172 HydrophobicContact CB-CB 3.62Å; C156-C172 WeakPolarHBondContact CB-SG 3.5Å; C156-C172 VanDerWaalsContact SG-CA 3.58Å; C156-C172 WeakPolarHBondContact SG-CB 3.43Å; C156-C172 CovalentContact SG-SG 2.03Å; C156-C172 PolarHBondContact SG-SG 3.08Å; C156-G174 WeakPolarHBondContact CB-O 3.42Å; C156-L177 WeakPolarHBondContact SG-CD2 3.38Å
157E92.2Very high90.1Very high118 Ų11886.2 Ų86.255%0.55142%0.42SS*.THydrogen-bonded Turntrans44.551.3-177-68.1-174.5168.100113.4Q159 G174 N175E157-Q159 PolarHBondContact O-N 3.29Å; E157-G174 VanDerWaalsContact OE1-CA 3.29Å; E157-G174 WeakPolarHBondContact OE1-CA 3.18Å; E157-N175 HydrophobicContact CB-CB 4.03Å; E157-N175 PolarHBondContact OE2-N 3Å
158Q92.5Very high89.4Confident137 Ų13787.6 Ų87.664%0.6443%0.431SS*.THydrogen-bonded Turntrans68.35.4-179.3-50.6172.184.800115.2C141 C156C141-Q158 CarbonylContact C-O 3.57Å; C156-Q158 VanDerWaalsContact C-N 3.29Å; C156-Q158 PolarHBondContact O-N 3.46Å
159Q92.6Very high89.1Confident102 Ų10285.6 Ų85.648%0.47742%0.423SS..EExtended strand (participates in β ladder)trans-98.3122.1171.4-62.1-61.1-42.700110.7C141 C155 C156 E157 Y161 N175C141-Q159 PolarHBondContact SG-O 3.27Å; C141-Q159 VanDerWaalsContact SG-O 3.35Å; C155-Q159 WeakPolarHBondContact CA-O 3.39Å; C156-Q159 PolarHBondContact N-O 2.89Å; C156-Q159 WeakPolarHBondContact O-CA 3.42Å; C156-Q159 WeakPolarHBondContact O-CB 3.5Å; C156-Q159 PolarHBondContact O-N 3.03Å; E157-Q159 PolarHBondContact O-N 3.29Å; Q159-Y161 HydrophobicContact CB-CD2 4.35Å; Q159-Y161 HydrophobicContact CB-CE2 3.6Å; Q159-Y161 WeakPolarHBondContact O-CD2 3.48Å; Q159-N175 HydrophobicContact CG-CB 4.42Å
160L94.2Very high89.1Confident51 Ų5179.5 Ų79.527%0.26740%0.397SS..EExtended strand (participates in β ladder)trans-89.8120.2-179.6-17666.2000110.1C141 Y146 K153C141-L160 HydrophobicContact CB-CB 3.98Å; C141-L160 HydrophobicContact CB-CD1 4.08Å; C141-L160 PolarHBondContact SG-N 3.42Å; C141-L160 VanDerWaalsContact SG-N 3.37Å; Y146-L160 HydrophobicContact CD1-CD1 3.77Å; Y146-L160 HydrophobicContact CD2-CD1 4.02Å; Y146-L160 HydrophobicContact CE1-CD1 4.37Å; Y146-L160 HydrophobicContact CG-CD1 3.58Å; Y146-L160 HydrophobicContact CG-CD2 4.46Å; K153-L160 HydrophobicContact CB-CD1 4.32Å
161Y93.6Very high89.3Confident74 Ų7479 Ų7929%0.2940%0.395SS..EExtended strand (participates in β ladder)trans-109.1151.8178.5-68.6-80.9000112.4K153 I154 C156 Q159 N175 L177K153-Y161 WeakPolarHBondContact CA-O 3.48Å; I154-Y161 PolarHBondContact N-O 2.84Å; I154-Y161 PolarHBondContact O-N 3.2Å; C156-Y161 HydrophobicContact CB-CD2 4.19Å; C156-Y161 HydrophobicContact CB-CE2 4.07Å; Q159-Y161 HydrophobicContact CB-CD2 4.35Å; Q159-Y161 HydrophobicContact CB-CE2 3.6Å; Q159-Y161 WeakPolarHBondContact O-CD2 3.48Å; Y161-N175 WeakPolarHBondContact CE2-O 3.33Å; Y161-N175 PolarHBondContact OH-O 3.46Å; Y161-L177 HydrophobicContact CD1-CD1 4.12Å; Y161-L177 HydrophobicContact CD1-CG 4.14Å; Y161-L177 HydrophobicContact CD2-CD1 4.33Å; Y161-L177 HydrophobicContact CD2-CD2 3.93Å; Y161-L177 HydrophobicContact CD2-CG 3.84Å; Y161-L177 HydrophobicContact CE2-CG 4.47Å; Y161-L177 HydrophobicContact CG-CD1 3.68Å; Y161-L177 HydrophobicContact CG-CD2 4.13Å; Y161-L177 HydrophobicContact CG-CG 3.65Å
162T93.3Very high89.7Confident82 Ų8270.1 Ų70.150%0.50337%0.369SS..EExtended strand (participates in β ladder)trans-92.4123.4161.7-50.20000107.8K152 K153 P164K152-T162 CarbonylContact O-C 3.59Å; K152-T162 VanDerWaalsContact O-CA 3.29Å; K152-T162 WeakPolarHBondContact O-CA 3.2Å; K153-T162 PolarHBondContact NZ-OG1 3.34Å; T162-P164 WeakPolarHBondContact O-CD 3.1Å
163V90.1Very high89.9Confident19 Ų1964.7 Ų64.712%0.11535%0.345CS..PPolyproline II helixtrans-65.2123176.8175.60000109K152 I154 F167 T170K152-V163 PolarHBondContact O-N 3.34Å; I154-V163 HydrophobicContact CB-CG2 4.31Å; I154-V163 HydrophobicContact CG2-CG2 3.8Å; V163-F167 HydrophobicContact CG1-CB 4.06Å; V163-T170 WeakPolarHBondContact CG1-OG1 3.24Å; V163-T170 HydrophobicContact CG2-CG2 4.25Å
164P88.2Confident89.8Confident46 Ų4661.7 Ų61.730%0.29934%0.337SS..PPolyproline II helixtrans-60.6142.8174-24.235.6000111.8T162 N166 F167T162-P164 WeakPolarHBondContact O-CD 3.1Å; P164-N166 WeakPolarHBondContact CB-OD1 3.12Å; P164-N166 PolarHBondContact O-N 3.14Å; P164-N166 VanDerWaalsContact O-N 3.13Å; P164-F167 HydrophobicContact CB-CD1 3.79Å; P164-F167 HydrophobicContact CB-CE1 4.12Å; P164-F167 HydrophobicContact CB-CG 4.2Å; P164-F167 HydrophobicContact CG-CD1 3.96Å; P164-F167 HydrophobicContact CG-CD2 4.37Å; P164-F167 HydrophobicContact CG-CE1 3.95Å; P164-F167 HydrophobicContact CG-CE2 4.34Å; P164-F167 HydrophobicContact CG-CG 4.19Å; P164-F167 HydrophobicContact CG-CZ 4.14Å; P164-F167 WeakPolarHBondContact O-CB 3.41Å; P164-F167 PolarHBondContact O-N 3.09Å
165D87.7Confident89.8Confident139 Ų13963.4 Ų63.474%0.74335%0.346SS*.THydrogen-bonded Turntrans-65-19.7-176.6-69.3-40.3000113.2K152K152-D165 IonicContact NZ-OD1 3.78Å; K152-D165 PolarHBondContact NZ-OD1 2.85Å
166N84.6Confident89.6Confident119 Ų11964.9 Ų64.964%0.63635%0.35SS*.THydrogen-bonded Turntrans-83.7-6.6175.765.9-46.5000113.8P164P164-N166 WeakPolarHBondContact CB-OD1 3.12Å; P164-N166 PolarHBondContact O-N 3.14Å; P164-N166 VanDerWaalsContact O-N 3.13Å
167F83.2Confident89.5Confident50 Ų5066.4 Ų66.422%0.21936%0.358CS..  trans-84.1120.6178.8-79.129.8000109.4V163 P164 T170 L177 N179V163-F167 HydrophobicContact CG1-CB 4.06Å; P164-F167 HydrophobicContact CB-CD1 3.79Å; P164-F167 HydrophobicContact CB-CE1 4.12Å; P164-F167 HydrophobicContact CB-CG 4.2Å; P164-F167 HydrophobicContact CG-CD1 3.96Å; P164-F167 HydrophobicContact CG-CD2 4.37Å; P164-F167 HydrophobicContact CG-CE1 3.95Å; P164-F167 HydrophobicContact CG-CE2 4.34Å; P164-F167 HydrophobicContact CG-CG 4.19Å; P164-F167 HydrophobicContact CG-CZ 4.14Å; P164-F167 WeakPolarHBondContact O-CB 3.41Å; P164-F167 PolarHBondContact O-N 3.09Å; F167-T170 WeakPolarHBondContact CB-OG1 3.46Å; F167-T170 HydrophobicContact CD2-CG2 4Å; F167-T170 WeakPolarHBondContact CD2-OG1 3.33Å; F167-L177 HydrophobicContact CE2-CB 4.32Å; F167-N179 HydrophobicContact CD1-CB 4.33Å; F167-N179 HydrophobicContact CD2-CB 4.23Å; F167-N179 HydrophobicContact CE1-CB 4.41Å; F167-N179 HydrophobicContact CE2-CB 4.32Å; F167-N179 HydrophobicContact CG-CB 4.24Å; F167-N179 HydrophobicContact CZ-CB 4.4Å
168V77.1Confident89.5Confident102 Ų10262.5 Ų62.562%0.61834%0.338SS*.SBendtrans-81.5-45.6179.2-178.20000110.5W181V168-W181 HydrophobicContact CB-CB 3.93Å; V168-W181 HydrophobicContact CB-CG 3.92Å; V168-W181 HydrophobicContact CG1-CB 4.23Å; V168-W181 HydrophobicContact CG1-CD2 4.23Å; V168-W181 HydrophobicContact CG1-CG 3.74Å
169T80.3Confident89.3Confident60 Ų6056.6 Ų56.637%0.36831%0.311SS..SBendtrans-133.8117.1172.5-54.20000108.5N179 A180T169-N179 CarbonylContact O-C 3.54Å; T169-N179 PolarHBondContact O-OD1 2.81Å; T169-A180 PolarHBondContact O-N 2.84Å
170T85.9Confident89Confident30 Ų3053.6 Ų53.618%0.18430%0.304CS..EExtended strand (participates in β ladder)trans-97.9136.1-179.8-54.80000110.2I154 V163 F167 L177I154-T170 HydrophobicContact CD1-CG2 4.22Å; I154-T170 HydrophobicContact CG2-CG2 4.25Å; V163-T170 WeakPolarHBondContact CG1-OG1 3.24Å; V163-T170 HydrophobicContact CG2-CG2 4.25Å; F167-T170 WeakPolarHBondContact CB-OG1 3.46Å; F167-T170 HydrophobicContact CD2-CG2 4Å; F167-T170 WeakPolarHBondContact CD2-OG1 3.33Å; T170-L177 HydrophobicContact CG2-CB 4.26Å; T170-L177 HydrophobicContact CG2-CD1 4.04Å; T170-L177 HydrophobicContact CG2-CD2 3.8Å; T170-L177 HydrophobicContact CG2-CG 4.27Å
171A91.3Very high88.4Confident25 Ų2559.5 Ų59.521%0.20732%0.323CS..EExtended strand (participates in β ladder)trans-133.9158.8171.500000111Y178 A180A171-Y178 HydrophobicContact CB-CD1 4.25Å; A171-Y178 HydrophobicContact CB-CE1 3.58Å; A171-Y178 PolarHBondContact N-O 2.63Å; A171-Y178 VanDerWaalsContact N-O 3.14Å; A171-Y178 WeakPolarHBondContact O-CD1 3.05Å; A171-Y178 PolarHBondContact O-N 2.95Å; A171-Y178 VanDerWaalsContact O-N 3.09Å; A171-A180 HydrophobicContact CB-CB 3.9Å
172C94.1Very high88Confident51 Ų5160.2 Ų60.235%0.34533%0.332SS..EExtended strand (participates in β ladder)trans-86.1141.3173.2-58.30000110.6C155 C156 M176C155-C172 PolarHBondContact O-SG 3.43Å; C155-C172 VanDerWaalsContact O-SG 3.34Å; C156-C172 WeakPolarHBondContact CA-SG 3.03Å; C156-C172 HydrophobicContact CB-CB 3.62Å; C156-C172 WeakPolarHBondContact CB-SG 3.5Å; C156-C172 VanDerWaalsContact SG-CA 3.58Å; C156-C172 WeakPolarHBondContact SG-CB 3.43Å; C156-C172 CovalentContact SG-SG 2.03Å; C156-C172 PolarHBondContact SG-SG 3.08Å; C172-M176 CarbonylContact C-O 3.58Å; C172-M176 WeakPolarHBondContact CA-O 3.33Å
173C94.1Very high87.6Confident1 Ų157.9 Ų57.91%0.00732%0.324CS..EExtended strand (participates in β ladder)trans-127.398.1163.8-1710000108.6N175 M176 Y178 C187 K191 V192C173-N175 PolarHBondContact O-N 2.94Å; C173-M176 PolarHBondContact N-O 3.46Å; C173-M176 PolarHBondContact O-N 3.17Å; C173-Y178 HydrophobicContact CB-CD1 3.87Å; C173-Y178 HydrophobicContact CB-CE1 4.02Å; C173-C187 WeakPolarHBondContact CA-SG 3.08Å; C173-C187 HydrophobicContact CB-CB 3.57Å; C173-C187 WeakPolarHBondContact CB-SG 3.29Å; C173-C187 WeakPolarHBondContact SG-CA 3.46Å; C173-C187 WeakPolarHBondContact SG-CB 3.36Å; C173-C187 CovalentContact SG-SG 2.03Å; C173-C187 PolarHBondContact SG-SG 3.19Å; C173-K191 PolarHBondContact SG-N 2.84Å; C173-K191 VanDerWaalsContact SG-N 3.43Å; C173-K191 PolarHBondContact SG-O 2.03Å; C173-V192 HydrophobicContact CB-CG2 3.64Å
174G90.6Very high87.6Confident15 Ų1559.5 Ų59.516%0.15534%0.336CS..THydrogen-bonded Turntrans54-126.3-161.600000110.6C156 E157 M176C156-G174 WeakPolarHBondContact CB-O 3.42Å; E157-G174 VanDerWaalsContact OE1-CA 3.29Å; E157-G174 WeakPolarHBondContact OE1-CA 3.18Å; G174-M176 VanDerWaalsContact C-N 3.32Å; G174-M176 PolarHBondContact O-N 3.14Å
175N91.4Very high87.9Confident73 Ų7360.4 Ų60.439%0.3934%0.336SS..THydrogen-bonded Turntrans-85.29.7176.671.8-13.1000114.6E157 Q159 Y161 C173E157-N175 HydrophobicContact CB-CB 4.03Å; E157-N175 PolarHBondContact OE2-N 3Å; Q159-N175 HydrophobicContact CG-CB 4.42Å; Y161-N175 WeakPolarHBondContact CE2-O 3.33Å; Y161-N175 PolarHBondContact OH-O 3.46Å; C173-N175 PolarHBondContact O-N 2.94Å
176M91.1Very high88.1Confident67 Ų6754.6 Ų54.633%0.3331%0.305SS..EExtended strand (participates in β ladder)trans-110.5157.6-179.3-65.6-175.8-74.200113C172 C173 G174 S190 K191 V192C172-M176 CarbonylContact C-O 3.58Å; C172-M176 WeakPolarHBondContact CA-O 3.33Å; C173-M176 PolarHBondContact N-O 3.46Å; C173-M176 PolarHBondContact O-N 3.17Å; G174-M176 VanDerWaalsContact C-N 3.32Å; G174-M176 PolarHBondContact O-N 3.14Å; M176-S190 WeakPolarHBondContact CE-O 2.98Å; M176-K191 HydrophobicContact CE-CB 4.46Å; M176-K191 HydrophobicContact CE-CG 4.38Å; M176-V192 HydrophobicContact CB-CG2 4.31Å; M176-V192 HydrophobicContact CE-CG2 4.31Å
177L91.9Very high88.6Confident33 Ų3351 Ų5117%0.17329%0.288CS..EExtended strand (participates in β ladder)trans-97.5146.5168.1-62.3-171.6000111.7I154 C156 Y161 F167 T170I154-L177 HydrophobicContact CD1-CD2 4.48Å; I154-L177 HydrophobicContact CG2-CD1 4Å; I154-L177 HydrophobicContact CG2-CD2 3.47Å; I154-L177 VanDerWaalsContact CG2-CD2 3.47Å; I154-L177 HydrophobicContact CG2-CG 4.38Å; C156-L177 WeakPolarHBondContact SG-CD2 3.38Å; Y161-L177 HydrophobicContact CD1-CD1 4.12Å; Y161-L177 HydrophobicContact CD1-CG 4.14Å; Y161-L177 HydrophobicContact CD2-CD1 4.33Å; Y161-L177 HydrophobicContact CD2-CD2 3.93Å; Y161-L177 HydrophobicContact CD2-CG 3.84Å; Y161-L177 HydrophobicContact CE2-CG 4.47Å; Y161-L177 HydrophobicContact CG-CD1 3.68Å; Y161-L177 HydrophobicContact CG-CD2 4.13Å; Y161-L177 HydrophobicContact CG-CG 3.65Å; F167-L177 HydrophobicContact CE2-CB 4.32Å; T170-L177 HydrophobicContact CG2-CB 4.26Å; T170-L177 HydrophobicContact CG2-CD1 4.04Å; T170-L177 HydrophobicContact CG2-CD2 3.8Å; T170-L177 HydrophobicContact CG2-CG 4.27Å
178Y91.3Very high89.2Confident36 Ų3648.7 Ų48.714%0.14128%0.278CS..EExtended strand (participates in β ladder)trans-143.9158.5166.775-75000111.8A171 C173 A180 E185 C187 V192A171-Y178 HydrophobicContact CB-CD1 4.25Å; A171-Y178 HydrophobicContact CB-CE1 3.58Å; A171-Y178 PolarHBondContact N-O 2.63Å; A171-Y178 VanDerWaalsContact N-O 3.14Å; A171-Y178 WeakPolarHBondContact O-CD1 3.05Å; A171-Y178 PolarHBondContact O-N 2.95Å; A171-Y178 VanDerWaalsContact O-N 3.09Å; C173-Y178 HydrophobicContact CB-CD1 3.87Å; C173-Y178 HydrophobicContact CB-CE1 4.02Å; Y178-A180 HydrophobicContact CD2-CB 4.35Å; Y178-A180 HydrophobicContact CE2-CB 3.73Å; Y178-A180 PolarHBondContact O-N 2.77Å; Y178-E185 HydrophobicContact CD2-CB 4.1Å; Y178-C187 HydrophobicContact CE1-CB 3.86Å; Y178-V192 HydrophobicContact CD1-CG2 4.25Å; Y178-V192 HydrophobicContact CG-CG1 4.18Å; Y178-V192 HydrophobicContact CG-CG2 4.2Å
179N89Confident89.9Confident13 Ų1345 Ų457%0.0726%0.261CS..EExtended strand (participates in β ladder)trans-83.3102.4175.1-173.513.5000109F167 T169 W181 D182 E185F167-N179 HydrophobicContact CD1-CB 4.33Å; F167-N179 HydrophobicContact CD2-CB 4.23Å; F167-N179 HydrophobicContact CE1-CB 4.41Å; F167-N179 HydrophobicContact CE2-CB 4.32Å; F167-N179 HydrophobicContact CG-CB 4.24Å; F167-N179 HydrophobicContact CZ-CB 4.4Å; T169-N179 CarbonylContact O-C 3.54Å; T169-N179 PolarHBondContact O-OD1 2.81Å; N179-W181 VanDerWaalsContact C-N 3.29Å; N179-W181 PolarHBondContact O-N 3.37Å; N179-W181 PolarHBondContact OD1-N 2.99Å; N179-D182 PolarHBondContact ND2-OD2 3.07Å; N179-E185 PolarHBondContact N-OE2 3.48Å
180A86.7Confident90.5Very high40 Ų4043.8 Ų43.833%0.33126%0.255SS..  trans-79.2-11.9-177.100000113.4T169 A171 Y178T169-A180 PolarHBondContact O-N 2.84Å; A171-A180 HydrophobicContact CB-CB 3.9Å; Y178-A180 HydrophobicContact CD2-CB 4.35Å; Y178-A180 HydrophobicContact CE2-CB 3.73Å; Y178-A180 PolarHBondContact O-N 2.77Å
181W81.9Confident90.9Very high175 Ų17548.5 Ų48.566%0.66327%0.273SS*.SBendtrans-81.8-49.5-170.5-175.3-106.9000114.6V168 N179 G183V168-W181 HydrophobicContact CB-CB 3.93Å; V168-W181 HydrophobicContact CB-CG 3.92Å; V168-W181 HydrophobicContact CG1-CB 4.23Å; V168-W181 HydrophobicContact CG1-CD2 4.23Å; V168-W181 HydrophobicContact CG1-CG 3.74Å; N179-W181 VanDerWaalsContact C-N 3.29Å; N179-W181 PolarHBondContact O-N 3.37Å; N179-W181 PolarHBondContact OD1-N 2.99Å; W181-G183 PolarHBondContact O-N 3.27Å; W181-G183 VanDerWaalsContact O-N 3.14Å
182D84.5Confident91Very high89 Ų8949.2 Ų49.248%0.47627%0.274SS..SBendtrans-73.8-6.6-169.962.818.8000113.2N179 S184N179-D182 PolarHBondContact ND2-OD2 3.07Å; D182-S184 PolarHBondContact O-N 2.99Å; D182-S184 VanDerWaalsContact OD1-CB 3.23Å; D182-S184 WeakPolarHBondContact OD1-CB 3.23Å; D182-S184 PolarHBondContact OD1-N 2.87Å; D182-S184 PolarHBondContact OD1-OG 3.39Å; D182-S184 PolarHBondContact OD2-OG 2.92Å
183G84.4Confident91.1Very high32 Ų3248.9 Ų48.933%0.3327%0.266SS..SBendtrans67.67.4-178.400000113.4W181 E185 R195W181-G183 PolarHBondContact O-N 3.27Å; W181-G183 VanDerWaalsContact O-N 3.14Å; G183-E185 VanDerWaalsContact C-N 3.26Å; G183-E185 PolarHBondContact O-N 2.88Å; G183-R195 WeakPolarHBondContact O-CD 3.45Å; G183-R195 WeakPolarHBondContact O-CG 3.41Å; G183-R195 PolarHBondContact O-NE 2.9Å; G183-R195 VanDerWaalsContact O-NE 3.13Å
184S90.9Very high91.2Very high53 Ų5350.9 Ų50.937%0.37128%0.28SS..SBendtrans-73.7-22.117870.10000112.4D182 S194 R195D182-S184 PolarHBondContact O-N 2.99Å; D182-S184 VanDerWaalsContact OD1-CB 3.23Å; D182-S184 WeakPolarHBondContact OD1-CB 3.23Å; D182-S184 PolarHBondContact OD1-N 2.87Å; D182-S184 PolarHBondContact OD1-OG 3.39Å; D182-S184 PolarHBondContact OD2-OG 2.92Å; S184-S194 CarbonylContact O-C 3.44Å; S184-S194 WeakPolarHBondContact O-CA 3.47Å; S184-R195 WeakPolarHBondContact O-CB 3.47Å; S184-R195 PolarHBondContact O-N 3.26Å
185E93.3Very high91.3Very high66 Ų6655.8 Ų55.831%0.30829%0.294SS..EExtended strand (participates in β ladder)trans-128.8159.2-178.6-65.4178.3151.200111.6Y178 N179 G183 V192 Y193Y178-E185 HydrophobicContact CD2-CB 4.1Å; N179-E185 PolarHBondContact N-OE2 3.48Å; G183-E185 VanDerWaalsContact C-N 3.26Å; G183-E185 PolarHBondContact O-N 2.88Å; E185-V192 HydrophobicContact CB-CG1 3.96Å; E185-V192 HydrophobicContact CG-CG1 4.23Å; E185-Y193 CarbonylContact C-O 3.52Å; E185-Y193 VanDerWaalsContact CA-O 3.24Å; E185-Y193 WeakPolarHBondContact CA-O 3.42Å
186F93.6Very high91.4Very high17 Ų1760.4 Ų60.48%0.07531%0.313CS..EExtended strand (participates in β ladder)trans-149155.7169.772.9-71.5000111C188 Y193 R195 S198 C201F186-C188 HydrophobicContact CD2-CB 4.3Å; F186-C188 HydrophobicContact CE2-CB 3.82Å; F186-Y193 WeakPolarHBondContact CD1-O 3.37Å; F186-Y193 HydrophobicContact CE1-CG 4.33Å; F186-Y193 HydrophobicContact CZ-CG 4.22Å; F186-Y193 PolarHBondContact N-O 3.19Å; F186-Y193 PolarHBondContact O-N 3.4Å; F186-R195 HydrophobicContact CD1-CG 3.91Å; F186-S198 WeakPolarHBondContact CE1-O 3.38Å; F186-C201 HydrophobicContact CE2-CB 4.21Å
187C95Very high91.6Very high42 Ų4264.4 Ų64.428%0.28433%0.329SS..EExtended strand (participates in β ladder)trans-88.3134.6173.3-175.70000110.9C173 Y178 G189C173-C187 WeakPolarHBondContact CA-SG 3.08Å; C173-C187 HydrophobicContact CB-CB 3.57Å; C173-C187 WeakPolarHBondContact CB-SG 3.29Å; C173-C187 WeakPolarHBondContact SG-CA 3.46Å; C173-C187 WeakPolarHBondContact SG-CB 3.36Å; C173-C187 CovalentContact SG-SG 2.03Å; C173-C187 PolarHBondContact SG-SG 3.19Å; Y178-C187 HydrophobicContact CE1-CB 3.86Å; C187-G189 PolarHBondContact SG-O 3.4Å
188C95.3Very high91.9Very high2 Ų263.5 Ų63.51%0.01433%0.325CS..EExtended strand (participates in β ladder)trans-139.7118.3170.3178.80000109.1F186 S190 K191 Y193 C201 K215 G216F186-C188 HydrophobicContact CD2-CB 4.3Å; F186-C188 HydrophobicContact CE2-CB 3.82Å; C188-S190 PolarHBondContact O-N 3.28Å; C188-K191 PolarHBondContact N-O 3.14Å; C188-K191 PolarHBondContact O-N 3.15Å; C188-K191 VanDerWaalsContact O-N 3.08Å; C188-K191 VanDerWaalsContact O-O 3.11Å; C188-Y193 HydrophobicContact CB-CD2 3.76Å; C188-Y193 HydrophobicContact CB-CE2 3.81Å; C188-C201 WeakPolarHBondContact CA-SG 3.24Å; C188-C201 HydrophobicContact CB-CB 3.69Å; C188-C201 WeakPolarHBondContact CB-SG 3.01Å; C188-C201 WeakPolarHBondContact SG-CA 3.43Å; C188-C201 WeakPolarHBondContact SG-CB 3.41Å; C188-C201 CovalentContact SG-SG 2.03Å; C188-C201 PolarHBondContact SG-SG 3.37Å; C188-K215 PolarHBondContact SG-N 3.4Å; C188-G216 PolarHBondContact SG-N 3.25Å; C188-G216 VanDerWaalsContact SG-N 3.37Å
189G92.4Very high92.1Very high25 Ų2564.7 Ų64.726%0.25833%0.334SS..THydrogen-bonded Turntrans59.2-129.2-166.200000110.2C187 R211 Q212C187-G189 PolarHBondContact SG-O 3.4Å; G189-R211 VanDerWaalsContact CA-O 3.28Å; G189-R211 WeakPolarHBondContact CA-O 3.08Å; G189-Q212 WeakPolarHBondContact CA-O 3.36Å
190S92Very high92.4Very high34 Ų3465.1 Ų65.124%0.23834%0.339CS..THydrogen-bonded Turntrans-100.726174.1-53.90000112.7M176 C188 Q212M176-S190 WeakPolarHBondContact CE-O 2.98Å; C188-S190 PolarHBondContact O-N 3.28Å; S190-Q212 PolarHBondContact N-O 3.36Å
191K93.9Very high92.9Very high130 Ų13065.5 Ų65.557%0.56534%0.339SS*.EExtended strand (participates in β ladder)trans-130.1141.1-178.2-70.8-176.9-177.1176.60113.6C173 M176 C188 Y193C173-K191 PolarHBondContact SG-N 2.84Å; C173-K191 VanDerWaalsContact SG-N 3.43Å; C173-K191 PolarHBondContact SG-O 2.03Å; M176-K191 HydrophobicContact CE-CB 4.46Å; M176-K191 HydrophobicContact CE-CG 4.38Å; C188-K191 PolarHBondContact N-O 3.14Å; C188-K191 PolarHBondContact O-N 3.15Å; C188-K191 VanDerWaalsContact O-N 3.08Å; C188-K191 VanDerWaalsContact O-O 3.11Å; K191-Y193 HydrophobicContact CB-CD2 4.29Å; K191-Y193 HydrophobicContact CB-CE2 3.58Å; K191-Y193 WeakPolarHBondContact O-CD2 3.05Å
192V94.6Very high93.5Very high40 Ų4057.4 Ų57.424%0.24231%0.309CS..EExtended strand (participates in β ladder)trans-88.6132.7174.6-176.20000109C173 M176 Y178 E185C173-V192 HydrophobicContact CB-CG2 3.64Å; M176-V192 HydrophobicContact CB-CG2 4.31Å; M176-V192 HydrophobicContact CE-CG2 4.31Å; Y178-V192 HydrophobicContact CD1-CG2 4.25Å; Y178-V192 HydrophobicContact CG-CG1 4.18Å; Y178-V192 HydrophobicContact CG-CG2 4.2Å; E185-V192 HydrophobicContact CB-CG1 3.96Å; E185-V192 HydrophobicContact CG-CG1 4.23Å
193Y95.5Very high93.8Very high43 Ų4355.8 Ų55.817%0.16930%0.302CS..EExtended strand (participates in β ladder)trans-123.3140.1179-71.9-94.9000110.4E185 F186 C188 K191 G216E185-Y193 CarbonylContact C-O 3.52Å; E185-Y193 VanDerWaalsContact CA-O 3.24Å; E185-Y193 WeakPolarHBondContact CA-O 3.42Å; F186-Y193 WeakPolarHBondContact CD1-O 3.37Å; F186-Y193 HydrophobicContact CE1-CG 4.33Å; F186-Y193 HydrophobicContact CZ-CG 4.22Å; F186-Y193 PolarHBondContact N-O 3.19Å; F186-Y193 PolarHBondContact O-N 3.4Å; C188-Y193 HydrophobicContact CB-CD2 3.76Å; C188-Y193 HydrophobicContact CB-CE2 3.81Å; K191-Y193 HydrophobicContact CB-CD2 4.29Å; K191-Y193 HydrophobicContact CB-CE2 3.58Å; K191-Y193 WeakPolarHBondContact O-CD2 3.05Å; Y193-G216 PolarHBondContact OH-N 2.98Å
194S95.2Very high93.7Very high43 Ų4355.1 Ų55.130%0.30129%0.293SS..EExtended strand (participates in β ladder)trans-74.9131.6168.7171.80000110.3S184 E196 K197 S198S184-S194 CarbonylContact O-C 3.44Å; S184-S194 WeakPolarHBondContact O-CA 3.47Å; S194-E196 PolarHBondContact O-N 3.24Å; S194-E196 PolarHBondContact OG-N 3.1Å; S194-K197 PolarHBondContact O-N 3.13Å; S194-K197 VanDerWaalsContact O-N 3.07Å; S194-S198 PolarHBondContact O-N 3.47Å
195R93.5Very high92.7Very high119 Ų11959.2 Ų59.245%0.44931%0.306SS..THydrogen-bonded Turntrans-61.9-25.3176.7-72.4-143.4-170.4-111.7-1.1114.2G183 S184 F186 K197 S198G183-R195 WeakPolarHBondContact O-CD 3.45Å; G183-R195 WeakPolarHBondContact O-CG 3.41Å; G183-R195 PolarHBondContact O-NE 2.9Å; G183-R195 VanDerWaalsContact O-NE 3.13Å; S184-R195 WeakPolarHBondContact O-CB 3.47Å; S184-R195 PolarHBondContact O-N 3.26Å; F186-R195 HydrophobicContact CD1-CG 3.91Å; R195-K197 VanDerWaalsContact C-N 3.27Å; R195-K197 PolarHBondContact O-N 3.13Å; R195-S198 CarbonylContact C-O 3.55Å; R195-S198 WeakPolarHBondContact CA-O 3.21Å
196E93.2Very high91.6Very high169 Ų16958.4 Ų58.479%0.7930%0.303SS*.THydrogen-bonded Turntrans-63.6-36.9174.5-170.4-166.9157.100111.3S194S194-E196 PolarHBondContact O-N 3.24Å; S194-E196 PolarHBondContact OG-N 3.1Å
197K95.8Very high90.5Very high152 Ų15264.6 Ų64.666%0.66133%0.327SS*.THydrogen-bonded Turntrans-94.7-38.8-175.1-65.6-178.6-177.9174.60112.4S194 R195 N218S194-K197 PolarHBondContact O-N 3.13Å; S194-K197 VanDerWaalsContact O-N 3.07Å; R195-K197 VanDerWaalsContact C-N 3.27Å; R195-K197 PolarHBondContact O-N 3.13Å; K197-N218 WeakPolarHBondContact O-CB 3.28Å; K197-N218 PolarHBondContact O-ND2 3.34Å
198S96.8Very high89.5Confident13 Ų1369.9 Ų69.99%0.09135%0.348CS..  trans-137.6137.9-176.6-58.30000108.8F186 S194 R195 Y217F186-S198 WeakPolarHBondContact CE1-O 3.38Å; S194-S198 PolarHBondContact O-N 3.47Å; R195-S198 CarbonylContact C-O 3.55Å; R195-S198 WeakPolarHBondContact CA-O 3.21Å; S198-Y217 CarbonylContact C-O 3.59Å; S198-Y217 WeakPolarHBondContact CA-O 3.26Å
199N95.6Very high88.6Confident61 Ų6177.6 Ų77.633%0.32638%0.383SS..  trans-125.8-2-175.360.7-2.2000113.3Y217 T219N199-Y217 PolarHBondContact N-O 3.31Å; N199-Y217 PolarHBondContact OD1-O 2.81Å; N199-T219 PolarHBondContact ND2-OG1 2.89Å; N199-T219 WeakPolarHBondContact OD1-CG2 3.29Å; N199-T219 PolarHBondContact OD1-N 2.85Å; N199-T219 PolarHBondContact OD1-OG1 3.22Å; N199-T219 VanDerWaalsContact OD1-OG1 3.1Å
200A96.4Very high88Confident22 Ų2279.7 Ų79.718%0.18239%0.387CS..EExtended strand (participates in β ladder)trans-138.9161.7174.100000111.2G216 Y217 T219A200-G216 CarbonylContact O-C 3.55Å; A200-G216 VanDerWaalsContact O-CA 3.31Å; A200-G216 WeakPolarHBondContact O-CA 3.33Å; A200-Y217 HydrophobicContact CB-CD1 3.99Å; A200-Y217 HydrophobicContact CB-CE1 3.38Å; A200-Y217 HydrophobicContact CB-CE2 4.35Å; A200-Y217 PolarHBondContact N-O 3.27Å; A200-Y217 VanDerWaalsContact N-O 3.13Å; A200-Y217 WeakPolarHBondContact O-CD1 3.49Å; A200-Y217 PolarHBondContact O-N 2.03Å; A200-T219 HydrophobicContact CB-CG2 3.45Å; A200-T219 VanDerWaalsContact CB-CG2 3.45Å
201C96.4Very high87.5Confident48 Ų4885.3 Ų85.332%0.32440%0.403SS..EExtended strand (participates in β ladder)trans-107.9125.2177.7-175.30000109.5F186 C188F186-C201 HydrophobicContact CE2-CB 4.21Å; C188-C201 WeakPolarHBondContact CA-SG 3.24Å; C188-C201 HydrophobicContact CB-CB 3.69Å; C188-C201 WeakPolarHBondContact CB-SG 3.01Å; C188-C201 WeakPolarHBondContact SG-CA 3.43Å; C188-C201 WeakPolarHBondContact SG-CB 3.41Å; C188-C201 CovalentContact SG-SG 2.03Å; C188-C201 PolarHBondContact SG-SG 3.37Å
202C95.5Very high87.1Confident5 Ų583.7 Ų83.73%0.03440%0.397CS..EExtended strand (participates in β ladder)trans-96.2113.3175.5-172.80000109.9A214 K215 Y217 C224 G227 V228C202-A214 CarbonylContact O-C 3.51Å; C202-A214 WeakPolarHBondContact O-CA 3.32Å; C202-A214 WeakPolarHBondContact O-CB 3.16Å; C202-K215 WeakPolarHBondContact CB-O 3Å; C202-K215 PolarHBondContact N-O 2.04Å; C202-K215 PolarHBondContact O-N 3.09Å; C202-Y217 HydrophobicContact CB-CD1 3.61Å; C202-Y217 HydrophobicContact CB-CE1 3.86Å; C202-Y217 HydrophobicContact CB-CG 4.46Å; C202-C224 WeakPolarHBondContact CA-SG 2.88Å; C202-C224 HydrophobicContact CB-CB 3.57Å; C202-C224 WeakPolarHBondContact CB-SG 3.12Å; C202-C224 WeakPolarHBondContact SG-CA 3.41Å; C202-C224 WeakPolarHBondContact SG-CB 3.3Å; C202-C224 CovalentContact SG-SG 2.04Å; C202-C224 PolarHBondContact SG-SG 3.33Å; C202-G227 PolarHBondContact SG-O 3.47Å; C202-V228 HydrophobicContact CB-CG2 3.53Å
203V91Very high86.8Confident56 Ų5690 Ų9034%0.33942%0.418SS..  trans-107.4130.6179.1-174.80000108.1R211 A214V203-R211 HydrophobicContact CG1-CG 3.87Å; V203-A214 HydrophobicContact CB-CB 4.34Å; V203-A214 HydrophobicContact CG2-CB 3.79Å
204S80.8Confident86.7Confident18 Ų1888.3 Ų88.313%0.12641%0.412CS..  trans-71.2126.9167.9171.90000108.8L206 E210 N226S204-L206 VanDerWaalsContact C-N 3.34Å; S204-E210 WeakPolarHBondContact CB-OE2 3.39Å; S204-E210 PolarHBondContact OG-OE2 2.65Å; S204-N226 PolarHBondContact OG-OD1 2.78Å
205E71.2Confident86.8Confident138 Ų13891.3 Ų91.365%0.64542%0.42SS*.SBendtrans-86.7-7-178.8-63-168.6167.900113
206L69.5Low86.9Confident49 Ų4985.8 Ų85.826%0.25740%0.4SS..SBendtrans-78.1-31.5-171.9-61.7-178.7000113.1S204 N226 I252S204-L206 VanDerWaalsContact C-N 3.34Å; L206-N226 VanDerWaalsContact CD1-ND2 3.35Å; L206-N226 WeakPolarHBondContact CD1-ND2 3.34Å; L206-I252 HydrophobicContact CD2-CB 4.48Å; L206-I252 HydrophobicContact CD2-CG1 3.99Å; L206-I252 HydrophobicContact CD2-CG2 4.49Å
207Y70.1Confident87.1Confident148 Ų14879.4 Ų79.458%0.5837%0.369SS*.  trans-140.4123.2-174.4-56.8-72.2000111E209 E210Y207-E209 PolarHBondContact O-N 2.93Å; Y207-E210 HydrophobicContact CD2-CG 4.37Å; Y207-E210 WeakPolarHBondContact O-CB 3.39Å; Y207-E210 PolarHBondContact O-N 3.48Å
208E73.9Confident87.2Confident152 Ų15273 Ų7371%0.7134%0.342SS*.G310 helixtrans-58.9-35.3178.1-66-167.1154.800112.2E210 R211E208-E210 PolarHBondContact O-N 2.8Å; E208-R211 WeakPolarHBondContact O-CB 3.31Å; E208-R211 WeakPolarHBondContact O-CG 3.36Å; E208-R211 PolarHBondContact O-N 3.18Å; E208-R211 VanDerWaalsContact O-N 3.14Å
209E78Confident87.1Confident164 Ų16475 Ų7577%0.76635%0.354SS*.G310 helixtrans-62.5-20.7176.9-58.7-178.5-160.800112.9Y207 Q212Y207-E209 PolarHBondContact O-N 2.93Å; E209-Q212 WeakPolarHBondContact O-CG 3.42Å; E209-Q212 PolarHBondContact O-NE2 2.92Å
210E78.3Confident87.2Confident70 Ų7079.1 Ų79.133%0.32737%0.371SS..G310 helixtrans-84.9-8.6179-70.7-176.4165.300113.7S204 Y207 E208 Q212 Y213 A214S204-E210 WeakPolarHBondContact CB-OE2 3.39Å; S204-E210 PolarHBondContact OG-OE2 2.65Å; Y207-E210 HydrophobicContact CD2-CG 4.37Å; Y207-E210 WeakPolarHBondContact O-CB 3.39Å; Y207-E210 PolarHBondContact O-N 3.48Å; E208-E210 PolarHBondContact O-N 2.8Å; E210-Q212 PolarHBondContact O-N 2.93Å; E210-Q212 VanDerWaalsContact O-N 3.15Å; E210-Y213 HydrophobicContact CB-CD2 4.44Å; E210-Y213 HydrophobicContact CG-CD2 4.4Å; E210-Y213 WeakPolarHBondContact O-CA 3.31Å; E210-Y213 WeakPolarHBondContact O-CB 3.34Å; E210-Y213 PolarHBondContact O-N 3.1Å; E210-A214 PolarHBondContact O-N 2.78Å
211R83.1Confident87.2Confident152 Ų15284.5 Ų84.557%0.57439%0.39SS*.G310 helixtrans-57.5-32177.6-69.9-177.8177.91745.3112.4G189 V203 E208 Y213 A214G189-R211 VanDerWaalsContact CA-O 3.28Å; G189-R211 WeakPolarHBondContact CA-O 3.08Å; V203-R211 HydrophobicContact CG1-CG 3.87Å; E208-R211 WeakPolarHBondContact O-CB 3.31Å; E208-R211 WeakPolarHBondContact O-CG 3.36Å; E208-R211 PolarHBondContact O-N 3.18Å; E208-R211 VanDerWaalsContact O-N 3.14Å; R211-Y213 PolarHBondContact O-N 2.82Å; R211-A214 VanDerWaalsContact O-CB 3.26Å; R211-A214 WeakPolarHBondContact O-CB 3.01Å; R211-A214 PolarHBondContact O-N 2.93Å
212Q85.7Confident87.2Confident96 Ų9684.9 Ų84.945%0.44939%0.387SS..G310 helixtrans-65.8-24.6174.772.4-171.7-48.400113.3G189 S190 E209 E210G189-Q212 WeakPolarHBondContact CA-O 3.36Å; S190-Q212 PolarHBondContact N-O 3.36Å; E209-Q212 WeakPolarHBondContact O-CG 3.42Å; E209-Q212 PolarHBondContact O-NE2 2.92Å; E210-Q212 PolarHBondContact O-N 2.93Å; E210-Q212 VanDerWaalsContact O-N 3.15Å
213Y87.8Confident87.3Confident173 Ų17385.8 Ų85.868%0.67839%0.392SS*.G310 helixtrans-956.6178.6-54.3-59.4000113.2E210 R211 K215E210-Y213 HydrophobicContact CB-CD2 4.44Å; E210-Y213 HydrophobicContact CG-CD2 4.4Å; E210-Y213 WeakPolarHBondContact O-CA 3.31Å; E210-Y213 WeakPolarHBondContact O-CB 3.34Å; E210-Y213 PolarHBondContact O-N 3.1Å; R211-Y213 PolarHBondContact O-N 2.82Å; Y213-K215 PolarHBondContact O-N 2.8Å
214A93.7Very high87.5Confident6 Ų684.5 Ų84.55%0.0539%0.385CS..  trans-52.4142.1174.400000110.9C202 V203 E210 R211C202-A214 CarbonylContact O-C 3.51Å; C202-A214 WeakPolarHBondContact O-CA 3.32Å; C202-A214 WeakPolarHBondContact O-CB 3.16Å; V203-A214 HydrophobicContact CB-CB 4.34Å; V203-A214 HydrophobicContact CG2-CB 3.79Å; E210-A214 PolarHBondContact O-N 2.78Å; R211-A214 VanDerWaalsContact O-CB 3.26Å; R211-A214 WeakPolarHBondContact O-CB 3.01Å; R211-A214 PolarHBondContact O-N 2.93Å
215K95.4Very high88.2Confident106 Ų10683.8 Ų83.846%0.46138%0.38SS..EExtended strand (participates in β ladder)trans-120.3127.9-170.2-171.2-178.2174.7-169.10110.8C188 C202 Y213 V228C188-K215 PolarHBondContact SG-N 3.4Å; C202-K215 WeakPolarHBondContact CB-O 3Å; C202-K215 PolarHBondContact N-O 2.04Å; C202-K215 PolarHBondContact O-N 3.09Å; Y213-K215 PolarHBondContact O-N 2.8Å; K215-V228 HydrophobicContact CB-CG2 3.97Å; K215-V228 HydrophobicContact CD-CB 4.29Å; K215-V228 HydrophobicContact CD-CG2 3.94Å; K215-V228 HydrophobicContact CG-CG2 4.13Å
216G96.8Very high89.1Confident3 Ų380 Ų803%0.03136%0.364CS..EExtended strand (participates in β ladder)trans-61.9136.2169.100000110.9C188 Y193 A200C188-G216 PolarHBondContact SG-N 3.25Å; C188-G216 VanDerWaalsContact SG-N 3.37Å; Y193-G216 PolarHBondContact OH-N 2.98Å; A200-G216 CarbonylContact O-C 3.55Å; A200-G216 VanDerWaalsContact O-CA 3.31Å; A200-G216 WeakPolarHBondContact O-CA 3.33Å
217Y97.2Very high90.2Very high36 Ų3679 Ų7914%0.14137%0.365CS..EExtended strand (participates in β ladder)trans-140.2161.1177.775.7-75.3000111.5S198 N199 A200 C202 T219 E222 C224 V228S198-Y217 CarbonylContact C-O 3.59Å; S198-Y217 WeakPolarHBondContact CA-O 3.26Å; N199-Y217 PolarHBondContact N-O 3.31Å; N199-Y217 PolarHBondContact OD1-O 2.81Å; A200-Y217 HydrophobicContact CB-CD1 3.99Å; A200-Y217 HydrophobicContact CB-CE1 3.38Å; A200-Y217 HydrophobicContact CB-CE2 4.35Å; A200-Y217 PolarHBondContact N-O 3.27Å; A200-Y217 VanDerWaalsContact N-O 3.13Å; A200-Y217 WeakPolarHBondContact O-CD1 3.49Å; A200-Y217 PolarHBondContact O-N 2.03Å; C202-Y217 HydrophobicContact CB-CD1 3.61Å; C202-Y217 HydrophobicContact CB-CE1 3.86Å; C202-Y217 HydrophobicContact CB-CG 4.46Å; Y217-T219 HydrophobicContact CE2-CG2 3.8Å; Y217-E222 VanDerWaalsContact CA-OE2 3.31Å; Y217-E222 WeakPolarHBondContact CA-OE2 3.19Å; Y217-E222 WeakPolarHBondContact CB-OE2 3.03Å; Y217-E222 HydrophobicContact CD2-CB 3.94Å; Y217-C224 HydrophobicContact CD1-CB 4.26Å; Y217-C224 HydrophobicContact CE1-CB 3.61Å; Y217-C224 HydrophobicContact CE2-CB 4.04Å; Y217-C224 VanDerWaalsContact CZ-CB 3.48Å; Y217-V228 HydrophobicContact CG-CG1 4.37Å; Y217-V228 HydrophobicContact CG-CG2 4.34Å
218N97.5Very high91.4Very high17 Ų1773.4 Ų73.49%0.09135%0.346CS..  trans-95.1111.5177.2-170.3-57000110.4K197 E220 K221 E222K197-N218 WeakPolarHBondContact O-CB 3.28Å; K197-N218 PolarHBondContact O-ND2 3.34Å; N218-E220 PolarHBondContact O-N 2.86Å; N218-E220 VanDerWaalsContact OD1-CB 3.29Å; N218-E220 WeakPolarHBondContact OD1-CB 3.26Å; N218-E220 PolarHBondContact OD1-N 3.38Å; N218-K221 PolarHBondContact O-N 3.08Å; N218-K221 VanDerWaalsContact O-N 3.09Å; N218-E222 PolarHBondContact N-OE2 3.05Å; N218-E222 WeakPolarHBondContact O-CA 3.41Å; N218-E222 WeakPolarHBondContact O-CB 3.44Å; N218-E222 PolarHBondContact O-N 3.43Å
219T96.2Very high92.5Very high55 Ų5568.4 Ų68.434%0.33732%0.323SS..THydrogen-bonded Turntrans-63.6-13.6-177.557.80000114.5N199 A200 Y217 K231N199-T219 PolarHBondContact ND2-OG1 2.89Å; N199-T219 WeakPolarHBondContact OD1-CG2 3.29Å; N199-T219 PolarHBondContact OD1-N 2.85Å; N199-T219 PolarHBondContact OD1-OG1 3.22Å; N199-T219 VanDerWaalsContact OD1-OG1 3.1Å; A200-T219 HydrophobicContact CB-CG2 3.45Å; A200-T219 VanDerWaalsContact CB-CG2 3.45Å; Y217-T219 HydrophobicContact CE2-CG2 3.8Å; T219-K231 WeakPolarHBondContact O-CE 3.15Å; T219-K231 PolarHBondContact O-NZ 2.76Å
220E95.9Very high93.4Very high147 Ų14764 Ų6469%0.68730%0.304SS*.THydrogen-bonded Turntrans-82.9-32.2175.5-56.4-177.5160.100112N218N218-E220 PolarHBondContact O-N 2.86Å; N218-E220 VanDerWaalsContact OD1-CB 3.29Å; N218-E220 WeakPolarHBondContact OD1-CB 3.26Å; N218-E220 PolarHBondContact OD1-N 3.38Å
221K96.9Very high94.3Very high136 Ų13664.6 Ų64.659%0.59131%0.306SS*.THydrogen-bonded Turntrans-113.4-21.2-171.1-61.6175.1-174.5169.30113.7N218 K231N218-K221 PolarHBondContact O-N 3.08Å; N218-K221 VanDerWaalsContact O-N 3.09Å; K221-K231 WeakPolarHBondContact O-CB 3.37Å; K221-K231 PolarHBondContact O-N 2.63Å
222E97.6Very high94.9Very high56 Ų5665.8 Ų65.826%0.26232%0.315SS..EExtended strand (participates in β ladder)trans-130151.7-171.2-61.1172.5126.800110.8Y217 N218 V228 H229 K231Y217-E222 VanDerWaalsContact CA-OE2 3.31Å; Y217-E222 WeakPolarHBondContact CA-OE2 3.19Å; Y217-E222 WeakPolarHBondContact CB-OE2 3.03Å; Y217-E222 HydrophobicContact CD2-CB 3.94Å; N218-E222 PolarHBondContact N-OE2 3.05Å; N218-E222 WeakPolarHBondContact O-CA 3.41Å; N218-E222 WeakPolarHBondContact O-CB 3.44Å; N218-E222 PolarHBondContact O-N 3.43Å; E222-V228 HydrophobicContact CB-CG1 3.85Å; E222-V228 HydrophobicContact CG-CG1 4.13Å; E222-H229 CarbonylContact C-O 3.55Å; E222-H229 WeakPolarHBondContact CA-O 3.44Å; E222-H229 WeakPolarHBondContact CB-O 3.12Å; E222-K231 WeakPolarHBondContact O-CE 3.33Å
223L96.6Very high95.4Very high24 Ų2466.4 Ų66.413%0.12632%0.321CS..EExtended strand (participates in β ladder)trans-114.2132.6177.9173.171.6000108.6C225 V228 H229 K231 F234 T236L223-C225 HydrophobicContact CD2-CB 4.05Å; L223-C225 HydrophobicContact CG-CB 4.19Å; L223-V228 WeakPolarHBondContact O-CA 3.3Å; L223-H229 PolarHBondContact N-O 3.05Å; L223-H229 PolarHBondContact O-N 2.97Å; L223-K231 HydrophobicContact CB-CG 4.14Å; L223-F234 HydrophobicContact CD2-CB 4.16Å; L223-F234 WeakPolarHBondContact CD2-O 2.81Å; L223-T236 WeakPolarHBondContact CD2-O 3.46Å
224C95.8Very high95.8Very high29 Ų2961.5 Ų61.520%0.19630%0.303CS..EExtended strand (participates in β ladder)trans-87.2117.7164.7-178.60000109.5C202 Y217 G227 C237C202-C224 WeakPolarHBondContact CA-SG 2.88Å; C202-C224 HydrophobicContact CB-CB 3.57Å; C202-C224 WeakPolarHBondContact CB-SG 3.12Å; C202-C224 WeakPolarHBondContact SG-CA 3.41Å; C202-C224 WeakPolarHBondContact SG-CB 3.3Å; C202-C224 CovalentContact SG-SG 2.04Å; C202-C224 PolarHBondContact SG-SG 3.33Å; Y217-C224 HydrophobicContact CD1-CB 4.26Å; Y217-C224 HydrophobicContact CE1-CB 3.61Å; Y217-C224 HydrophobicContact CE2-CB 4.04Å; Y217-C224 VanDerWaalsContact CZ-CB 3.48Å; C224-G227 CarbonylContact C-O 3.6Å; C224-G227 WeakPolarHBondContact CA-O 3.33Å; C224-C237 PolarHBondContact O-SG 2.65Å
225C94.8Very high95.9Very high3 Ų363.7 Ų63.72%0.0231%0.314CS..SBendtrans-151.787.9176.9-153.30000110.1L223 G227 H229 C237 I254 P255L223-C225 HydrophobicContact CD2-CB 4.05Å; L223-C225 HydrophobicContact CG-CB 4.19Å; C225-G227 CarbonylContact C-O 3.52Å; C225-G227 PolarHBondContact N-O 3.46Å; C225-G227 PolarHBondContact O-N 3.17Å; C225-H229 PolarHBondContact O-CD2 2.96Å; C225-H229 PolarHBondContact O-NE2 3.44Å; C225-C237 WeakPolarHBondContact CA-SG 3.34Å; C225-C237 HydrophobicContact CB-CB 4.31Å; C225-C237 WeakPolarHBondContact CB-SG 3.42Å; C225-C237 WeakPolarHBondContact SG-CA 3.48Å; C225-C237 WeakPolarHBondContact SG-CB 2.94Å; C225-C237 CovalentContact SG-SG 2.02Å; C225-C237 PolarHBondContact SG-SG 2.87Å; C225-I254 VanDerWaalsContact SG-C 3.51Å; C225-P255 HydrophobicContact CB-CB 3.89Å; C225-P255 VanDerWaalsContact SG-N 3.38Å
226N90.3Very high95.9Very high59 Ų5960.8 Ų60.832%0.31631%0.306SS..SBendtrans48.945.1-170.9-167.228.1000112S204 L206 P253S204-N226 PolarHBondContact OG-OD1 2.78Å; L206-N226 VanDerWaalsContact CD1-ND2 3.35Å; L206-N226 WeakPolarHBondContact CD1-ND2 3.34Å; N226-P253 HydrophobicContact CB-CB 4.16Å; N226-P253 HydrophobicContact CB-CG 3.99Å; N226-P253 WeakPolarHBondContact CB-O 3.35Å
227G92.1Very high95.8Very high26 Ų2661.4 Ų61.427%0.26831%0.309SS..SBendtrans125.5169.4-166.900000112.7C202 C224 C225 H229C202-G227 PolarHBondContact SG-O 3.47Å; C224-G227 CarbonylContact C-O 3.6Å; C224-G227 WeakPolarHBondContact CA-O 3.33Å; C225-G227 CarbonylContact C-O 3.52Å; C225-G227 PolarHBondContact N-O 3.46Å; C225-G227 PolarHBondContact O-N 3.17Å; G227-H229 PolarHBondContact O-CD2 2.02Å; G227-H229 VanDerWaalsContact O-CD2 3.27Å
228V95.5Very high95.7Very high31 Ų3159.7 Ų59.719%0.18830%0.302CS..EExtended strand (participates in β ladder)trans-97.5126.5-175.4-1790000110.3C202 K215 Y217 E222 L223C202-V228 HydrophobicContact CB-CG2 3.53Å; K215-V228 HydrophobicContact CB-CG2 3.97Å; K215-V228 HydrophobicContact CD-CB 4.29Å; K215-V228 HydrophobicContact CD-CG2 3.94Å; K215-V228 HydrophobicContact CG-CG2 4.13Å; Y217-V228 HydrophobicContact CG-CG1 4.37Å; Y217-V228 HydrophobicContact CG-CG2 4.34Å; E222-V228 HydrophobicContact CB-CG1 3.85Å; E222-V228 HydrophobicContact CG-CG1 4.13Å; L223-V228 WeakPolarHBondContact O-CA 3.3Å
229H96.8Very high95.5Very high48 Ų4864.6 Ų64.622%0.22232%0.32CS..EExtended strand (participates in β ladder)trans-126.9151.4-175.4-59.9-77.3000112.1E222 L223 C225 G227 F234E222-H229 CarbonylContact C-O 3.55Å; E222-H229 WeakPolarHBondContact CA-O 3.44Å; E222-H229 WeakPolarHBondContact CB-O 3.12Å; L223-H229 PolarHBondContact N-O 3.05Å; L223-H229 PolarHBondContact O-N 2.97Å; C225-H229 PolarHBondContact O-CD2 2.96Å; C225-H229 PolarHBondContact O-NE2 3.44Å; G227-H229 PolarHBondContact O-CD2 2.02Å; G227-H229 VanDerWaalsContact O-CD2 3.27Å; H229-F234 HydrophobicContact CB-CB 4.37Å; H229-F234 HydrophobicContact CB-CD2 3.96Å
230D97.6Very high95.1Very high70 Ų7062.7 Ų62.737%0.37431%0.309SS..EExtended strand (participates in β ladder)trans-74127.6174.2-172.6-27.8000110.5K232 L233 F234D230-K232 PolarHBondContact O-N 2.75Å; D230-K232 VanDerWaalsContact OD1-CB 3.3Å; D230-K232 WeakPolarHBondContact OD1-CB 3.38Å; D230-K232 WeakPolarHBondContact OD1-CG 3.32Å; D230-K232 PolarHBondContact OD1-N 2.77Å; D230-L233 PolarHBondContact O-N 2.88Å; D230-F234 PolarHBondContact O-N 3.03Å
231K96.9Very high94.5Very high83 Ų8358.1 Ų58.136%0.36129%0.293SS..THydrogen-bonded Turntrans-62.9-19.1178.6-80.5-177163.5-168.20114.8T219 K221 E222 L223 L233 F234T219-K231 WeakPolarHBondContact O-CE 3.15Å; T219-K231 PolarHBondContact O-NZ 2.76Å; K221-K231 WeakPolarHBondContact O-CB 3.37Å; K221-K231 PolarHBondContact O-N 2.63Å; E222-K231 WeakPolarHBondContact O-CE 3.33Å; L223-K231 HydrophobicContact CB-CG 4.14Å; K231-L233 PolarHBondContact O-N 3.5Å; K231-F234 VanDerWaalsContact CA-O 3.32Å; K231-F234 WeakPolarHBondContact CA-O 3.45Å
232K95Very high93.6Very high178 Ų17853.1 Ų53.177%0.77427%0.273SS*.THydrogen-bonded Turntrans-66.8-28.5172.2-65.6173-176.6171.90112D230D230-K232 PolarHBondContact O-N 2.75Å; D230-K232 VanDerWaalsContact OD1-CB 3.3Å; D230-K232 WeakPolarHBondContact OD1-CB 3.38Å; D230-K232 WeakPolarHBondContact OD1-CG 3.32Å; D230-K232 PolarHBondContact OD1-N 2.77Å
233L96.4Very high92.3Very high109 Ų10956.2 Ų56.257%0.57130%0.298SS*.THydrogen-bonded Turntrans-97.4-47-179.6-59.2179.5000110.9D230 K231 N257D230-L233 PolarHBondContact O-N 2.88Å; K231-L233 PolarHBondContact O-N 3.5Å; L233-N257 VanDerWaalsContact O-CB 3.32Å; L233-N257 WeakPolarHBondContact O-CB 3.47Å; L233-N257 PolarHBondContact O-ND2 3.08Å
234F96.8Very high91.1Very high69 Ų6959.9 Ų59.930%0.30333%0.326SS..  trans-133.1118.4-174.6-52.1-74.3000110.8L223 H229 D230 K231 P255L223-F234 HydrophobicContact CD2-CB 4.16Å; L223-F234 WeakPolarHBondContact CD2-O 2.81Å; H229-F234 HydrophobicContact CB-CB 4.37Å; H229-F234 HydrophobicContact CB-CD2 3.96Å; D230-F234 PolarHBondContact O-N 3.03Å; K231-F234 VanDerWaalsContact CA-O 3.32Å; K231-F234 WeakPolarHBondContact CA-O 3.45Å; F234-P255 HydrophobicContact CB-CB 3.92Å; F234-P255 HydrophobicContact CD1-CB 4.03Å; F234-P255 HydrophobicContact CD2-CB 4.35Å; F234-P255 HydrophobicContact CG-CB 3.85Å
235D95.4Very high89.8Confident53 Ų5360.9 Ų60.928%0.28333%0.329SS..  trans-104.1-11.4-175.360.3-10.8000113.5Y256 N257 S258D235-Y256 PolarHBondContact N-O 2.78Å; D235-N257 WeakPolarHBondContact OD1-CA 3.3Å; D235-S258 PolarHBondContact OD1-N 3.49Å; D235-S258 PolarHBondContact OD1-OG 2.99Å; D235-S258 PolarHBondContact OD2-OG 3.32Å
236T95.9Very high88.2Confident45 Ų4565.7 Ų65.728%0.27636%0.362SS..EExtended strand (participates in β ladder)trans-152.6167.5-179.5-173.30000113.4L223 Y256L223-T236 WeakPolarHBondContact CD2-O 3.46Å; T236-Y256 HydrophobicContact CG2-CD1 3.82Å; T236-Y256 HydrophobicContact CG2-CD2 4.22Å; T236-Y256 HydrophobicContact CG2-CE1 3.34Å; T236-Y256 HydrophobicContact CG2-CE2 3.8Å; T236-Y256 HydrophobicContact CG2-CG 4.24Å; T236-Y256 PolarHBondContact N-O 2.93Å; T236-Y256 PolarHBondContact O-N 3.22Å
237C95.8Very high87.1Confident15 Ų1568.1 Ų68.110%0.10138%0.375CS..EExtended strand (participates in β ladder)trans-103.1140.3173.1-70.20000111.9C224 C225 Y239 P253 I254C224-C237 PolarHBondContact O-SG 2.65Å; C225-C237 WeakPolarHBondContact CA-SG 3.34Å; C225-C237 HydrophobicContact CB-CB 4.31Å; C225-C237 WeakPolarHBondContact CB-SG 3.42Å; C225-C237 WeakPolarHBondContact SG-CA 3.48Å; C225-C237 WeakPolarHBondContact SG-CB 2.94Å; C225-C237 CovalentContact SG-SG 2.02Å; C225-C237 PolarHBondContact SG-SG 2.87Å; C237-Y239 HydrophobicContact CB-CD2 4.17Å; C237-Y239 HydrophobicContact CB-CE2 3.56Å; C237-P253 HydrophobicContact CB-CB 4.49Å; C237-I254 CarbonylContact C-O 3.49Å
238C94.8Very high85.6Confident0 Ų075.5 Ų75.50%040%0.395CS..EExtended strand (participates in β ladder)trans-99.2128.3162.2-174.60000108.9P253 I254 Y256 C263 V268C238-P253 CarbonylContact O-C 3.54Å; C238-P253 WeakPolarHBondContact O-CA 3.45Å; C238-I254 HydrophobicContact CB-CB 4.4Å; C238-I254 PolarHBondContact N-O 2.89Å; C238-I254 PolarHBondContact O-N 3.02Å; C238-Y256 HydrophobicContact CB-CD1 3.66Å; C238-Y256 HydrophobicContact CB-CE1 3.69Å; C238-C263 WeakPolarHBondContact CA-SG 3.38Å; C238-C263 HydrophobicContact CB-CB 3.53Å; C238-C263 WeakPolarHBondContact CB-SG 3.32Å; C238-C263 WeakPolarHBondContact SG-CB 3.46Å; C238-C263 CovalentContact SG-SG 2.03Å; C238-C263 PolarHBondContact SG-SG 3.26Å; C238-V268 HydrophobicContact CB-CG2 3.5Å; C238-V268 VanDerWaalsContact CB-CG2 3.5Å
239Y91.8Very high84.1Confident120 Ų12082.6 Ų82.647%0.47142%0.423SS..EExtended strand (participates in β ladder)trans-104.3109.9179.8-68.8-90.2000109.2C237 L251 P253C237-Y239 HydrophobicContact CB-CD2 4.17Å; C237-Y239 HydrophobicContact CB-CE2 3.56Å; Y239-L251 HydrophobicContact CD1-CB 4.2Å; Y239-P253 HydrophobicContact CD1-CB 4.1Å; Y239-P253 HydrophobicContact CD1-CG 4.29Å; Y239-P253 HydrophobicContact CE1-CB 3.77Å; Y239-P253 HydrophobicContact CE1-CG 3.93Å
240V88.8Confident83.1Confident15 Ų1581.7 Ų81.79%0.09142%0.424CS..EExtended strand (participates in β ladder)trans-111.1147.1-178.7-61.90000111.1L251 I252 I254V240-L251 CarbonylContact O-C 3.59Å; V240-L251 WeakPolarHBondContact O-CA 3.3Å; V240-I252 HydrophobicContact CG2-CB 4.02Å; V240-I252 PolarHBondContact N-O 3.07Å; V240-I252 VanDerWaalsContact N-O 3.08Å; V240-I252 PolarHBondContact O-N 3.43Å; V240-I254 HydrophobicContact CG1-CD1 4.25Å; V240-I254 HydrophobicContact CG2-CD1 3.48Å; V240-I254 VanDerWaalsContact CG2-CD1 3.48Å; V240-I254 HydrophobicContact CG2-CG1 4.14Å
241S83.8Confident82.5Confident51 Ų5182.3 Ų82.336%0.35743%0.427SS..EExtended strand (participates in β ladder)trans-66.6135.5174.2-58.50000110.7P243S241-P243 VanDerWaalsContact O-CD 3.23Å; S241-P243 WeakPolarHBondContact O-CD 3.23Å
242D76.5Confident82Confident31 Ų3180.3 Ų80.317%0.16642%0.42CS..  trans-78.3109.9170.4-175.5-6000110.6S244 N245 A250 I252D242-S244 PolarHBondContact O-N 2.69Å; D242-S244 VanDerWaalsContact OD1-CB 3.3Å; D242-S244 WeakPolarHBondContact OD1-CB 3.45Å; D242-S244 PolarHBondContact OD1-N 3.39Å; D242-S244 PolarHBondContact OD1-OG 2.79Å; D242-S244 PolarHBondContact OD2-OG 3.22Å; D242-S244 VanDerWaalsContact OD2-OG 3.08Å; D242-N245 HydrophobicContact CB-CB 4.07Å; D242-N245 PolarHBondContact O-N 2.98Å; D242-A250 PolarHBondContact N-O 3.47Å; D242-I252 HydrophobicContact CB-CD1 3.68Å; D242-I252 HydrophobicContact CB-CG1 3.95Å
243P71Confident81.8Confident122 Ų12272.2 Ų72.279%0.79239%0.386SS*.THydrogen-bonded Turntrans-68.9-17.2179.428.9-34000113S241 N245S241-P243 VanDerWaalsContact O-CD 3.23Å; S241-P243 WeakPolarHBondContact O-CD 3.23Å; P243-N245 VanDerWaalsContact C-N 3.33Å
244S71Confident81.7Confident101 Ų10170 Ų7071%0.70637%0.373SS*.THydrogen-bonded Turntrans-79.3-19.3177.176.70000112.7D242 S246D242-S244 PolarHBondContact O-N 2.69Å; D242-S244 VanDerWaalsContact OD1-CB 3.3Å; D242-S244 WeakPolarHBondContact OD1-CB 3.45Å; D242-S244 PolarHBondContact OD1-N 3.39Å; D242-S244 PolarHBondContact OD1-OG 2.79Å; D242-S244 PolarHBondContact OD2-OG 3.22Å; D242-S244 VanDerWaalsContact OD2-OG 3.08Å; S244-S246 PolarHBondContact O-N 3.33Å
245N68.8Low81.6Confident50 Ų5068.1 Ų68.127%0.26737%0.368SS..  trans-90.7102.4179-166.2-25.3000110.1D242 P243 N247 W248D242-N245 HydrophobicContact CB-CB 4.07Å; D242-N245 PolarHBondContact O-N 2.98Å; P243-N245 VanDerWaalsContact C-N 3.33Å; N245-N247 PolarHBondContact O-N 3.06Å; N245-N247 PolarHBondContact OD1-N 2.03Å; N245-W248 PolarHBondContact O-N 3.36Å
246S62.4Low81.7Confident103 Ų10367.1 Ų67.172%0.7236%0.361SS*.THydrogen-bonded Turntrans-55.5-18.4-177.852.10000114.7S244S244-S246 PolarHBondContact O-N 3.33Å
247N65.4Low81.7Confident110 Ų11066.5 Ų66.559%0.58836%0.356SS*.THydrogen-bonded Turntrans-100.53-179.5-70.8-36000114.4N245 K249N245-N247 PolarHBondContact O-N 3.06Å; N245-N247 PolarHBondContact OD1-N 2.03Å; N247-K249 HydrophobicContact CB-CB 4.46Å; N247-K249 HydrophobicContact CB-CD 4.29Å; N247-K249 HydrophobicContact CB-CG 4.1Å; N247-K249 PolarHBondContact O-N 3.25Å
248W61.6Low81.6Confident181 Ų18168.3 Ų68.369%0.68637%0.369SS*.  trans50.622.2-179.2-58.175000113.9N245N245-W248 PolarHBondContact O-N 3.36Å
249K64.9Low81.4Confident180 Ų18078.3 Ų78.378%0.78341%0.407SS*.  trans-82.4-27.6-169.6-88.9-174.2177.5-175.20113N247N247-K249 HydrophobicContact CB-CB 4.46Å; N247-K249 HydrophobicContact CB-CD 4.29Å; N247-K249 HydrophobicContact CB-CG 4.1Å; N247-K249 PolarHBondContact O-N 3.25Å
250A74.3Confident81.5Confident29 Ų2976 Ų7624%0.2441%0.405CS..  trans-106.4122.8-17700000109.9D242D242-A250 PolarHBondContact N-O 3.47Å
251L84.5Confident81.8Confident83 Ų8378.5 Ų78.544%0.43542%0.416SS..EExtended strand (participates in β ladder)trans-88.2136164.9-63.7173.5000108Y239 V240 P253Y239-L251 HydrophobicContact CD1-CB 4.2Å; V240-L251 CarbonylContact O-C 3.59Å; V240-L251 WeakPolarHBondContact O-CA 3.3Å; L251-P253 WeakPolarHBondContact O-CD 2.98Å
252I87.1Confident82.2Confident42 Ų4276.9 Ų76.922%0.21540%0.404CS..EExtended strand (participates in β ladder)trans-91.3116.8175.1-56.8172.8000107.8L206 V240 D242 I254L206-I252 HydrophobicContact CD2-CB 4.48Å; L206-I252 HydrophobicContact CD2-CG1 3.99Å; L206-I252 HydrophobicContact CD2-CG2 4.49Å; V240-I252 HydrophobicContact CG2-CB 4.02Å; V240-I252 PolarHBondContact N-O 3.07Å; V240-I252 VanDerWaalsContact N-O 3.08Å; V240-I252 PolarHBondContact O-N 3.43Å; D242-I252 HydrophobicContact CB-CD1 3.68Å; D242-I252 HydrophobicContact CB-CG1 3.95Å; I252-I254 HydrophobicContact CG2-CG1 4.23Å; I252-I254 PolarHBondContact O-N 2.77Å
253P91.8Very high83Confident7 Ų777.7 Ų77.75%0.04541%0.412CS..EExtended strand (participates in β ladder)trans-74.2123.9171.1-0.114.7000110.1N226 C237 C238 Y239 L251N226-P253 HydrophobicContact CB-CB 4.16Å; N226-P253 HydrophobicContact CB-CG 3.99Å; N226-P253 WeakPolarHBondContact CB-O 3.35Å; C237-P253 HydrophobicContact CB-CB 4.49Å; C238-P253 CarbonylContact O-C 3.54Å; C238-P253 WeakPolarHBondContact O-CA 3.45Å; Y239-P253 HydrophobicContact CD1-CB 4.1Å; Y239-P253 HydrophobicContact CD1-CG 4.29Å; Y239-P253 HydrophobicContact CE1-CB 3.77Å; Y239-P253 HydrophobicContact CE1-CG 3.93Å; L251-P253 WeakPolarHBondContact O-CD 2.98Å
254I92.7Very high83.9Confident62 Ų6274 Ų7432%0.31839%0.385SS..EExtended strand (participates in β ladder)trans-116.5118.4176.5-57.9178.2000108.7C225 C237 C238 V240 I252 V268C225-I254 VanDerWaalsContact SG-C 3.51Å; C237-I254 CarbonylContact C-O 3.49Å; C238-I254 HydrophobicContact CB-CB 4.4Å; C238-I254 PolarHBondContact N-O 2.89Å; C238-I254 PolarHBondContact O-N 3.02Å; V240-I254 HydrophobicContact CG1-CD1 4.25Å; V240-I254 HydrophobicContact CG2-CD1 3.48Å; V240-I254 VanDerWaalsContact CG2-CD1 3.48Å; V240-I254 HydrophobicContact CG2-CG1 4.14Å; I252-I254 HydrophobicContact CG2-CG1 4.23Å; I252-I254 PolarHBondContact O-N 2.77Å; I254-V268 HydrophobicContact CB-CG2 4.25Å; I254-V268 HydrophobicContact CG2-CG2 3.8Å
255P95.8Very high84.5Confident30 Ų3077.9 Ų77.920%0.19539%0.39CS..EExtended strand (participates in β ladder)trans-67.5135.8177.528.5-35.5000110.8C225 F234C225-P255 HydrophobicContact CB-CB 3.89Å; C225-P255 VanDerWaalsContact SG-N 3.38Å; F234-P255 HydrophobicContact CB-CB 3.92Å; F234-P255 HydrophobicContact CD1-CB 4.03Å; F234-P255 HydrophobicContact CD2-CB 4.35Å; F234-P255 HydrophobicContact CG-CB 3.85Å
256Y96.2Very high85.3Confident32 Ų3279.4 Ų79.413%0.12540%0.401CS..EExtended strand (participates in β ladder)trans-145.9167.2171.977.6-79.5000112.2D235 T236 C238 H261 C263 V268D235-Y256 PolarHBondContact N-O 2.78Å; T236-Y256 HydrophobicContact CG2-CD1 3.82Å; T236-Y256 HydrophobicContact CG2-CD2 4.22Å; T236-Y256 HydrophobicContact CG2-CE1 3.34Å; T236-Y256 HydrophobicContact CG2-CE2 3.8Å; T236-Y256 HydrophobicContact CG2-CG 4.24Å; T236-Y256 PolarHBondContact N-O 2.93Å; T236-Y256 PolarHBondContact O-N 3.22Å; C238-Y256 HydrophobicContact CB-CD1 3.66Å; C238-Y256 HydrophobicContact CB-CE1 3.69Å; Y256-H261 HydrophobicContact CD2-CB 3.89Å; Y256-H261 VanDerWaalsContact CE2-O 3.28Å; Y256-H261 WeakPolarHBondContact CE2-O 3.46Å; Y256-C263 HydrophobicContact CE1-CB 3.67Å; Y256-C263 HydrophobicContact CE2-CB 4.44Å; Y256-V268 VanDerWaalsContact CB-CG1 3.46Å; Y256-V268 HydrophobicContact CD1-CG2 4.08Å; Y256-V268 HydrophobicContact CD2-CG1 4.31Å; Y256-V268 HydrophobicContact CG-CG1 3.99Å; Y256-V268 HydrophobicContact CG-CG2 4.06Å
257N96Very high86.6Confident32 Ų3274.7 Ų74.717%0.17137%0.369CS..  trans-100.2109.1175.4-171.8-55.2000109.7L233 D235 R259 T260 H261L233-N257 VanDerWaalsContact O-CB 3.32Å; L233-N257 WeakPolarHBondContact O-CB 3.47Å; L233-N257 PolarHBondContact O-ND2 3.08Å; D235-N257 WeakPolarHBondContact OD1-CA 3.3Å; N257-R259 PolarHBondContact O-N 2.94Å; N257-R259 VanDerWaalsContact OD1-CB 3.3Å; N257-R259 WeakPolarHBondContact OD1-CB 3.3Å; N257-R259 PolarHBondContact OD1-N 3.21Å; N257-T260 WeakPolarHBondContact CB-OG1 3.03Å; N257-T260 PolarHBondContact O-N 2.87Å; N257-T260 VanDerWaalsContact O-N 3.07Å; N257-T260 PolarHBondContact O-OG1 3.33Å; N257-H261 PolarHBondContact O-N 3.08Å
258S93.5Very high87.9Confident54 Ų5471.8 Ų71.838%0.37836%0.355SS..THydrogen-bonded Turntrans-62.1-14.2-174.972.10000115.1D235 H261 I271D235-S258 PolarHBondContact OD1-N 3.49Å; D235-S258 PolarHBondContact OD1-OG 2.99Å; D235-S258 PolarHBondContact OD2-OG 3.32Å; S258-H261 CarbonylContact C-O 3.5Å; S258-H261 WeakPolarHBondContact CA-O 3.49Å; S258-I271 WeakPolarHBondContact O-CD1 3.32Å
259R91.6Very high89.4Confident209 Ų20965.1 Ų65.179%0.78933%0.331SS*.THydrogen-bonded Turntrans-87.2-19.8179.1-52.1179.9-177-173.9-1.3113.4N257N257-R259 PolarHBondContact O-N 2.94Å; N257-R259 VanDerWaalsContact OD1-CB 3.3Å; N257-R259 WeakPolarHBondContact OD1-CB 3.3Å; N257-R259 PolarHBondContact OD1-N 3.21Å
260T93.5Very high90.7Very high72 Ų7259.9 Ų59.944%0.44232%0.315SS..THydrogen-bonded Turntrans-121.4-21.1-175.755.30000112.5N257 I271N257-T260 WeakPolarHBondContact CB-OG1 3.03Å; N257-T260 PolarHBondContact O-N 2.87Å; N257-T260 VanDerWaalsContact O-N 3.07Å; N257-T260 PolarHBondContact O-OG1 3.33Å; T260-I271 PolarHBondContact O-N 3.4Å
261H95Very high91.5Very high68 Ų6860.5 Ų60.532%0.31531%0.314SS..EExtended strand (participates in β ladder)trans-134.6159-179.2-62.774.8000109.6Y256 N257 S258 V268 K269 I271Y256-H261 HydrophobicContact CD2-CB 3.89Å; Y256-H261 VanDerWaalsContact CE2-O 3.28Å; Y256-H261 WeakPolarHBondContact CE2-O 3.46Å; N257-H261 PolarHBondContact O-N 3.08Å; S258-H261 CarbonylContact C-O 3.5Å; S258-H261 WeakPolarHBondContact CA-O 3.49Å; H261-V268 HydrophobicContact CB-CG1 3.66Å; H261-K269 CarbonylContact C-O 3.41Å; H261-K269 WeakPolarHBondContact CA-O 3.43Å; H261-K269 VanDerWaalsContact CB-O 3.27Å; H261-K269 WeakPolarHBondContact CB-O 3.28Å; H261-I271 WeakPolarHBondContact O-CD1 3.46Å
262C93.2Very high91.7Very high17 Ų1758.9 Ų58.912%0.11531%0.306CS..EExtended strand (participates in β ladder)trans-124.2165.3172.169.10000110.5V268 K269 I271 C278C262-V268 CarbonylContact O-C 3.59Å; C262-V268 VanDerWaalsContact O-CA 3.32Å; C262-V268 WeakPolarHBondContact O-CA 2.85Å; C262-K269 PolarHBondContact N-O 2.91Å; C262-K269 PolarHBondContact O-N 3.36Å; C262-I271 HydrophobicContact CB-CG1 4.12Å; C262-C278 HydrophobicContact CB-CB 4.27Å; C262-C278 WeakPolarHBondContact CB-SG 3.27Å; C262-C278 WeakPolarHBondContact SG-CA 3.39Å; C262-C278 WeakPolarHBondContact SG-CB 3.26Å; C262-C278 CovalentContact SG-SG 2Å; C262-C278 PolarHBondContact SG-SG 3.02Å
263C92.9Very high91.6Very high47 Ų4763 Ų6332%0.31834%0.336SS..EExtended strand (participates in β ladder)trans-114.9129.7178.9174.80000109.7C238 Y256 G267C238-C263 WeakPolarHBondContact CA-SG 3.38Å; C238-C263 HydrophobicContact CB-CB 3.53Å; C238-C263 WeakPolarHBondContact CB-SG 3.32Å; C238-C263 WeakPolarHBondContact SG-CB 3.46Å; C238-C263 CovalentContact SG-SG 2.03Å; C238-C263 PolarHBondContact SG-SG 3.26Å; Y256-C263 HydrophobicContact CE1-CB 3.67Å; Y256-C263 HydrophobicContact CE2-CB 4.44Å; C263-G267 WeakPolarHBondContact CA-O 3.09Å
264D88.9Confident91.3Very high44 Ų4467.6 Ų67.624%0.23537%0.368CS..EExtended strand (participates in β ladder)trans-129.1-174.2167.171.121.2000110.8T266 G267 K269D264-T266 PolarHBondContact O-N 2.56Å; D264-T266 VanDerWaalsContact OD1-CA 3.28Å; D264-T266 WeakPolarHBondContact OD1-CA 3.49Å; D264-T266 WeakPolarHBondContact OD1-CB 3.34Å; D264-T266 PolarHBondContact OD1-N 2.9Å; D264-T266 PolarHBondContact OD1-OG1 3.35Å; D264-T266 PolarHBondContact OD2-OG1 3.44Å; D264-G267 PolarHBondContact N-O 2.95Å; D264-G267 PolarHBondContact O-N 3.37Å; D264-G267 VanDerWaalsContact O-N 3.08Å; D264-G267 PolarHBondContact OD1-N 3.42Å; D264-K269 IonicContact OD1-NZ 3.89Å; D264-K269 WeakPolarHBondContact OD2-CE 3.03Å; D264-K269 IonicContact OD2-NZ 2.78Å; D264-K269 PolarHBondContact OD2-NZ 2.75Å
265F84.8Confident90.9Very high184 Ų18468.6 Ų68.681%0.80738%0.377SS*.THydrogen-bonded Turntrans-66.6-15.7-179.670.3-89000114
266T84.8Confident90.2Very high81 Ų8169.9 Ų69.950%0.49740%0.396SS..THydrogen-bonded Turntrans-92.3-19.4173.769.10000112.4D264 K269D264-T266 PolarHBondContact O-N 2.56Å; D264-T266 VanDerWaalsContact OD1-CA 3.28Å; D264-T266 WeakPolarHBondContact OD1-CA 3.49Å; D264-T266 WeakPolarHBondContact OD1-CB 3.34Å; D264-T266 PolarHBondContact OD1-N 2.9Å; D264-T266 PolarHBondContact OD1-OG1 3.35Å; D264-T266 PolarHBondContact OD2-OG1 3.44Å; T266-K269 WeakPolarHBondContact OG1-CE 3.28Å; T266-K269 PolarHBondContact OG1-NZ 3.49Å
267G89.5Confident89.6Confident5 Ų575.3 Ų75.35%0.05242%0.42CS..EExtended strand (participates in β ladder)trans129.8-147.1170.500000114.4C263 D264C263-G267 WeakPolarHBondContact CA-O 3.09Å; D264-G267 PolarHBondContact N-O 2.95Å; D264-G267 PolarHBondContact O-N 3.37Å; D264-G267 VanDerWaalsContact O-N 3.08Å; D264-G267 PolarHBondContact OD1-N 3.42Å
268V93.5Very high88.9Confident49 Ų4975.9 Ų75.930%0.29743%0.426SS..EExtended strand (participates in β ladder)trans-88.5123.6-174.1-179.10000109.8C238 I254 Y256 H261 C262C238-V268 HydrophobicContact CB-CG2 3.5Å; C238-V268 VanDerWaalsContact CB-CG2 3.5Å; I254-V268 HydrophobicContact CB-CG2 4.25Å; I254-V268 HydrophobicContact CG2-CG2 3.8Å; Y256-V268 VanDerWaalsContact CB-CG1 3.46Å; Y256-V268 HydrophobicContact CD1-CG2 4.08Å; Y256-V268 HydrophobicContact CD2-CG1 4.31Å; Y256-V268 HydrophobicContact CG-CG1 3.99Å; Y256-V268 HydrophobicContact CG-CG2 4.06Å; H261-V268 HydrophobicContact CB-CG1 3.66Å; C262-V268 CarbonylContact O-C 3.59Å; C262-V268 VanDerWaalsContact O-CA 3.32Å; C262-V268 WeakPolarHBondContact O-CA 2.85Å
269K92.5Very high88Confident40 Ų4077.7 Ų77.717%0.17443%0.431CS..EExtended strand (participates in β ladder)trans-128.7150.3178.8-66.6178.9-178.9160.10111.5H261 C262 D264 T266 D279H261-K269 CarbonylContact C-O 3.41Å; H261-K269 WeakPolarHBondContact CA-O 3.43Å; H261-K269 VanDerWaalsContact CB-O 3.27Å; H261-K269 WeakPolarHBondContact CB-O 3.28Å; C262-K269 PolarHBondContact N-O 2.91Å; C262-K269 PolarHBondContact O-N 3.36Å; D264-K269 IonicContact OD1-NZ 3.89Å; D264-K269 WeakPolarHBondContact OD2-CE 3.03Å; D264-K269 IonicContact OD2-NZ 2.78Å; D264-K269 PolarHBondContact OD2-NZ 2.75Å; T266-K269 WeakPolarHBondContact OG1-CE 3.28Å; T266-K269 PolarHBondContact OG1-NZ 3.49Å; K269-D279 WeakPolarHBondContact CD-O 3.27Å
270P93.5Very high86.9Confident70 Ų7072.7 Ų72.746%0.45543%0.428SS..EExtended strand (participates in β ladder)trans-60.3149.1173.3-22.134.1000112.4D279P270-D279 PolarHBondContact O-N 2.93Å; P270-D279 VanDerWaalsContact O-N 3.12Å
271I91.2Very high85.2Confident43 Ų4376.8 Ų76.822%0.22146%0.46CS..BIsolated β-bridgetrans-84.7128.2167.5-66.1169000107.7S258 T260 H261 C262 P273S258-I271 WeakPolarHBondContact O-CD1 3.32Å; T260-I271 PolarHBondContact O-N 3.4Å; H261-I271 WeakPolarHBondContact O-CD1 3.46Å; C262-I271 HydrophobicContact CB-CG1 4.12Å; I271-P273 VanDerWaalsContact O-CD 3.27Å; I271-P273 WeakPolarHBondContact O-CD 2.9Å
272D88.6Confident84.7Confident48 Ų4877.3 Ų77.326%0.25747%0.467SS..PPolyproline II helixtrans-67.3116.7169.8168.68.8000109.2S274 T275 G276 K277D272-S274 VanDerWaalsContact CG-OG 3.24Å; D272-S274 PolarHBondContact O-N 3.12Å; D272-S274 WeakPolarHBondContact OD1-CB 3.4Å; D272-S274 PolarHBondContact OD1-N 2Å; D272-S274 PolarHBondContact OD1-OG 3.04Å; D272-S274 PolarHBondContact OD2-OG 2.98Å; D272-T275 WeakPolarHBondContact CB-OG1 3.5Å; D272-T275 VanDerWaalsContact CG-OG1 3.27Å; D272-T275 PolarHBondContact O-N 2.78Å; D272-T275 WeakPolarHBondContact OD2-CB 3.42Å; D272-T275 VanDerWaalsContact OD2-CG2 3.26Å; D272-T275 WeakPolarHBondContact OD2-CG2 3.46Å; D272-T275 PolarHBondContact OD2-OG1 3.39Å; D272-G276 WeakPolarHBondContact O-CA 3.38Å; D272-G276 PolarHBondContact O-N 2.84Å; D272-K277 PolarHBondContact N-O 3.42Å
273P83.4Confident84.2Confident130 Ų13080.4 Ų80.484%0.84449%0.486SS*.THydrogen-bonded Turntrans-62.9-24.3-177.2-20.432.1000113.8I271I271-P273 VanDerWaalsContact O-CD 3.27Å; I271-P273 WeakPolarHBondContact O-CD 2.9Å
274S85.2Confident83.8Confident103 Ų10382.3 Ų82.372%0.7250%0.495SS*.THydrogen-bonded Turntrans-81-35.3-176.572.50000112.7D272D272-S274 VanDerWaalsContact CG-OG 3.24Å; D272-S274 PolarHBondContact O-N 3.12Å; D272-S274 WeakPolarHBondContact OD1-CB 3.4Å; D272-S274 PolarHBondContact OD1-N 2Å; D272-S274 PolarHBondContact OD1-OG 3.04Å; D272-S274 PolarHBondContact OD2-OG 2.98Å
275T86.2Confident83.5Confident82 Ų8284.5 Ų84.550%0.50351%0.511SS..THydrogen-bonded Turntrans-103.9-18.3-178.259.80000113.4D272 K277D272-T275 WeakPolarHBondContact CB-OG1 3.5Å; D272-T275 VanDerWaalsContact CG-OG1 3.27Å; D272-T275 PolarHBondContact O-N 2.78Å; D272-T275 WeakPolarHBondContact OD2-CB 3.42Å; D272-T275 VanDerWaalsContact OD2-CG2 3.26Å; D272-T275 WeakPolarHBondContact OD2-CG2 3.46Å; D272-T275 PolarHBondContact OD2-OG1 3.39Å; T275-K277 PolarHBondContact O-N 3.38Å; T275-K277 PolarHBondContact OG1-N 3.18Å
276G81.3Confident83.4Confident58 Ų5878.3 Ų78.360%0.59849%0.492SS*.SBendtrans66.413.3-172.400000113.3D272D272-G276 WeakPolarHBondContact O-CA 3.38Å; D272-G276 PolarHBondContact O-N 2.84Å
277K82.5Confident83.3Confident146 Ų14678.1 Ų78.164%0.63549%0.492SS*.SBendtrans-104.9160-179-67.4-177.1179.1-179.80110.6D272 T275 D279D272-K277 PolarHBondContact N-O 3.42Å; T275-K277 PolarHBondContact O-N 3.38Å; T275-K277 PolarHBondContact OG1-N 3.18Å; K277-D279 PolarHBondContact O-N 3.27Å
278C80.5Confident82.9Confident44 Ų4483.4 Ų83.430%0.29752%0.523SS..BIsolated β-bridgetrans-55.8131.4166.3-69.80000110.4C262 S280C262-C278 HydrophobicContact CB-CB 4.27Å; C262-C278 WeakPolarHBondContact CB-SG 3.27Å; C262-C278 WeakPolarHBondContact SG-CA 3.39Å; C262-C278 WeakPolarHBondContact SG-CB 3.26Å; C262-C278 CovalentContact SG-SG 2Å; C262-C278 PolarHBondContact SG-SG 3.02Å; C278-S280 PolarHBondContact O-N 2.75Å; C278-S280 PolarHBondContact O-OG 2.7Å; C278-S280 VanDerWaalsContact O-OG 3.04Å
279D76.1Confident82Confident91 Ų9186 Ų8649%0.48754%0.541SS..  trans-58.4112.7171.7-158.6-4.6000108.8K269 P270 K277 S281K269-D279 WeakPolarHBondContact CD-O 3.27Å; P270-D279 PolarHBondContact O-N 2.93Å; P270-D279 VanDerWaalsContact O-N 3.12Å; K277-D279 PolarHBondContact O-N 3.27Å; D279-S281 PolarHBondContact O-N 2.85Å
280S67.7Low81.2Confident104 Ų10489.8 Ų89.873%0.72757%0.571SS**  trans-97.977.4-175.2-52.90000106.8C278C278-S280 PolarHBondContact O-N 2.75Å; C278-S280 PolarHBondContact O-OG 2.7Å; C278-S280 VanDerWaalsContact O-OG 3.04Å
281S57.8Low80Confident159 Ų15991.6 Ų91.6100%1.11258%0.582SS**  trans-59.3016757.20000110.8D279D279-S281 PolarHBondContact O-N 2.85Å

Retrieved 281 of 281 residues in 107.5 ms (Link to these results)