A0A087YSK9_POEFO Loading...

Nerve growth factor b (beta polypeptide)

AlphaFold DB , UniProt , Accession A0A087YSK9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 194 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
1M43.1Very low43.6Very low234 Ų234153.5 Ų153.5100%1.15379%0.79SS**  099.10-69.4172.8157.700106.6
2R41.5Very low43.4Very low252 Ų252158.8 Ų158.895%0.95180%0.804SS**  59.2127.4112.5-64.5-175.5179.2-167.40.2112
3S37.3Very low43.1Very low102 Ų102154 Ų15471%0.71379%0.793SS**  cis-1691512.71770000108
4S46Very low43.3Very low81 Ų81150.2 Ų150.257%0.56680%0.796SS**  trans-50.8148.6156.6176.70000112.4
5M51.6Low43.2Very low174 Ų174152.2 Ų152.286%0.85780%0.799SS**  trans-143.5109.6143.4-84.8-60.2138.600109.9
6L44.1Very low43Very low141 Ų141149.1 Ų149.174%0.73880%0.802SS**  trans-62.3140.5159.8-85.9106.1000110.1
7V47.6Very low43.1Very low124 Ų124147.9 Ų147.975%0.75280%0.801SS**  trans-126.3120.7150.6177.90000108.7F9V7-F9 HydrophobicContact CG1-CD2 4.24Å; V7-F9 HydrophobicContact CG1-CE2 3.98Å
8L40.5Very low43Very low132 Ų132144.6 Ų144.669%0.69180%0.797SS**  trans-77.8128.9177.8-153.689000108.7L10L8-L10 HydrophobicContact CD2-CG 4.31Å
9F41Very low42.9Very low197 Ų197142.9 Ų142.986%0.86479%0.793SS**  trans-123.3120.1158.4-87.7-75.3000109.7V7V7-F9 HydrophobicContact CG1-CD2 4.24Å; V7-F9 HydrophobicContact CG1-CE2 3.98Å
10L45.2Very low43.1Very low146 Ų146144.2 Ų144.276%0.76480%0.797SS**  trans-77.3126.8-178.6-76.6160.2000111.5L8L8-L10 HydrophobicContact CD2-CG 4.31Å
11V42.2Very low43Very low106 Ų106144.3 Ų144.364%0.64280%0.795SS**  trans7.8125.2143.4-171.20000118.6
12F40.3Very low43.1Very low217 Ų217136.4 Ų136.495%0.95277%0.773SS**  trans-127.6109.4132.9-93.9-79.5000109.9
13S40.3Very low42.9Very low96 Ų96131.3 Ų131.367%0.67176%0.764SS**  trans-76.4125168.741.80000110.5
14A46.2Very low42.9Very low101 Ų101134 Ų13484%0.83577%0.769SS**  trans-12998.4156.300000107.8A16A14-A16 PolarHBondContact O-N 3.43Å
15Q41.1Very low42.1Very low180 Ų180135 Ų13584%0.84178%0.775SS**  trans-72115.9167.3-70.7174.3-7.200107.8
16A40.9Very low41.3Very low102 Ų102130.5 Ų130.584%0.84376%0.761SS**  trans-102.690.9161.300000107.5A14A14-A16 PolarHBondContact O-N 3.43Å
17V43.7Very low40.6Very low130 Ų130129 Ų12979%0.78876%0.758SS**  trans-79.4111.8166.4177.40000106.7
18A40.7Very low40.2Very low87 Ų87129 Ų12972%0.71976%0.758SS**  trans-112.2139.2167.300000109
19P41.9Very low40Very low113 Ų113128.1 Ų128.173%0.73476%0.758SS**  trans-76.1150.8-160.430.1-34.5000113.5I21P19-I21 PolarHBondContact O-N 3.24Å
20I47.5Very low40Very low168 Ų168123.1 Ų123.186%0.86275%0.754SS**  trans-55.6113.8166.3-63165.6000109
21I40.6Very low39.7Very low148 Ų148124 Ų12476%0.75975%0.753SS**  trans-120.498.3153.6-65.9174.1000105.4P19 L23P19-I21 PolarHBondContact O-N 3.24Å; I21-L23 PolarHBondContact O-N 3.06Å
22G45.4Very low39.5Very low67 Ų67127.2 Ų127.269%0.69176%0.762SS**  trans-61.9105.8168.300000108.9
23L36.4Very low39.7Very low146 Ų146124.3 Ų124.376%0.76476%0.756SS**  trans-10792.7155.5-156.375.5000106.5I21 C25I21-L23 PolarHBondContact O-N 3.06Å; L23-C25 PolarHBondContact O-N 2.86Å
24L37.4Very low39.8Very low157 Ų157124.2 Ų124.282%0.82275%0.748SS**  trans-53.893.9156-83.2132.5000107S26L24-S26 PolarHBondContact O-N 2.8Å
25C30.5Very low40.2Very low102 Ų102125.6 Ų125.669%0.68975%0.749SS**  trans-71.776.1152.6-71.20000106L23 V27L23-C25 PolarHBondContact O-N 2.86Å; C25-V27 PolarHBondContact O-N 2.89Å
26S32.9Very low41Very low81 Ų81122.3 Ų122.357%0.56674%0.741SS**  trans-58.888.3155.5-65.70000106L24 T28L24-S26 PolarHBondContact O-N 2.8Å; S26-T28 PolarHBondContact O-N 2.8Å
27V31.2Very low42.4Very low110 Ų110121 Ų12167%0.66773%0.726SS**  trans-66.490.2154.7176.30000103.8C25 T29C25-V27 PolarHBondContact O-N 2.89Å; V27-T29 HydrophobicContact CG1-CG2 3.69Å; V27-T29 PolarHBondContact O-N 2.9Å
28T37.4Very low44.1Very low123 Ų123117.8 Ų117.876%0.75570%0.703SS**  trans-64.575.5161.527.40000107.3S26 A30S26-T28 PolarHBondContact O-N 2.8Å; T28-A30 PolarHBondContact O-N 2.97Å
29T37.6Very low46.1Very low113 Ų113115.4 Ų115.469%0.69368%0.68SS**  trans-7566152.8400000107.6V27 Q31V27-T29 HydrophobicContact CG1-CG2 3.69Å; V27-T29 PolarHBondContact O-N 2.9Å; T29-Q31 PolarHBondContact O-N 3.3Å
30A40.8Very low48.2Very low93 Ų93115.4 Ų115.477%0.76968%0.679SS**  trans-83.761.9148.200000106.5T28T28-A30 PolarHBondContact O-N 2.97Å
31Q39.3Very low49.9Very low163 Ų163108.2 Ų108.276%0.76264%0.642SS**  trans-98.790.7164.5-165152.3-17.900105.9T29 D33T29-Q31 PolarHBondContact O-N 3.3Å; Q31-D33 PolarHBondContact O-N 3.08Å; Q31-D33 VanDerWaalsContact O-N 3.08Å
32Q36.5Very low52Low174 Ų174105.1 Ų105.181%0.81363%0.628SS**  trans-41.6112.3171.1-151.6138.8-25.600108.8N34Q32-N34 PolarHBondContact O-N 3.08Å
33D44.9Very low53.7Low157 Ų157103.7 Ų103.784%0.8461%0.606SS**  trans-65.782.3174.9-126.7-15000107.4Q31 P35Q31-D33 PolarHBondContact O-N 3.08Å; Q31-D33 VanDerWaalsContact O-N 3.08Å; D33-P35 WeakPolarHBondContact O-CD 3.47Å
34N42.9Very low55.8Low94 Ų94103.5 Ų103.550%0.50360%0.599SS.*  trans-93.4110.6168.8-158.95.6000106.1Q32 T36 S37Q32-N34 PolarHBondContact O-N 3.08Å; N34-T36 PolarHBondContact O-N 3.33Å; N34-T36 PolarHBondContact OD1-OG1 3.36Å; N34-S37 PolarHBondContact O-N 2.98Å; N34-S37 PolarHBondContact O-OG 2.79Å
35P54.6Low57.6Low130 Ų13098.3 Ų98.384%0.84457%0.572SS**THydrogen-bonded Turntrans-64.32.9-17324-33.1000114.4D33D33-P35 WeakPolarHBondContact O-CD 3.47Å
36T56.8Low59.7Low111 Ų11195 Ų9568%0.68155%0.546SS*.THydrogen-bonded Turntrans-113.2-0.8179.639.90000114.5N34 I38N34-T36 PolarHBondContact O-N 3.33Å; N34-T36 PolarHBondContact OD1-OG1 3.36Å; T36-I38 PolarHBondContact O-N 3.06Å
37S71.3Confident61.6Low75 Ų7597.6 Ų97.652%0.52455%0.553SS.*PPolyproline II helixtrans-76.2116.6178.7670000111.4N34N34-S37 PolarHBondContact O-N 2.98Å; N34-S37 PolarHBondContact O-OG 2.79Å
38I79.6Confident63.7Low61 Ų6196.8 Ų96.831%0.31354%0.541SS..PPolyproline II helixtrans-62.1127.2175-61.9172.9000108.7T36 T40 N118 N123T36-I38 PolarHBondContact O-N 3.06Å; I38-T40 PolarHBondContact O-N 2.79Å; I38-N118 HydrophobicContact CG2-CB 4.02Å; I38-N123 WeakPolarHBondContact CD1-ND2 3.38Å
39P82.8Confident65.4Low37 Ų37101.7 Ų101.724%0.2455%0.545CS..PPolyproline II helixtrans-66.5127.7-179.325.3-32.1000110.9L114 N118P39-L114 HydrophobicContact CG-CD1 3.78Å; P39-L114 HydrophobicContact CG-CD2 4.25Å; P39-N118 PolarHBondContact O-N 3.09Å
40T85.9Confident66.9Low114 Ų114103.5 Ų103.570%0.69954%0.54SS*.BIsolated β-bridgetrans-84.9130.3173-56.90000109.8I38I38-T40 PolarHBondContact O-N 2.79Å
41V83.6Confident68.3Low16 Ų16100 Ų10010%0.09751%0.507CS..  trans-123.7137.8-175.3-177.60000110.3P43 L45 F46 V117 N118 L165V41-P43 VanDerWaalsContact O-CD 3.32Å; V41-P43 WeakPolarHBondContact O-CD 3.46Å; V41-L45 HydrophobicContact CG1-CD1 3.69Å; V41-F46 HydrophobicContact CB-CE2 4.35Å; V41-F46 HydrophobicContact CG1-CE2 3.81Å; V41-F46 HydrophobicContact CG1-CZ 4.37Å; V41-V117 HydrophobicContact CB-CG1 3.86Å; V41-V117 HydrophobicContact CG2-CG1 3.32Å; V41-N118 PolarHBondContact N-O 3.04Å; V41-L165 HydrophobicContact CG2-CD2 3.72Å
42D83.8Confident70.1Confident84 Ų8497.6 Ų97.645%0.44950%0.499SS..  trans-58.7120.1175.9-180-1.1000110.4K44 L45D42-K44 PolarHBondContact O-N 3.29Å; D42-K44 VanDerWaalsContact O-N 3.1Å; D42-K44 WeakPolarHBondContact OD1-CB 3.38Å; D42-K44 WeakPolarHBondContact OD1-CG 3.29Å; D42-K44 PolarHBondContact OD1-N 3.34Å; D42-L45 HydrophobicContact CB-CD1 4.48Å; D42-L45 HydrophobicContact CB-CG 4.4Å; D42-L45 WeakPolarHBondContact O-CB 3.42Å; D42-L45 PolarHBondContact O-N 3.04Å
43P82.1Confident72.1Confident37 Ų3790.1 Ų90.124%0.2447%0.466CS..G310 helixtrans-53.3-30.2177-23.530.7000113.8V41 L45 F46 I119 N120V41-P43 VanDerWaalsContact O-CD 3.32Å; V41-P43 WeakPolarHBondContact O-CD 3.46Å; P43-L45 PolarHBondContact O-N 3.16Å; P43-L45 VanDerWaalsContact O-N 3.11Å; P43-F46 PolarHBondContact O-N 3.04Å; P43-I119 HydrophobicContact CB-CG2 4.3Å; P43-I119 HydrophobicContact CG-CG2 4.4Å; P43-N120 WeakPolarHBondContact CB-OD1 3.45Å; P43-N120 WeakPolarHBondContact CG-OD1 3.33Å
44K80.3Confident74.1Confident142 Ų14288.9 Ų88.962%0.61747%0.467SS*.G310 helixtrans-62.4-19.4179.8-65.3177.1179.8175.40112.9D42 F46 N47D42-K44 PolarHBondContact O-N 3.29Å; D42-K44 VanDerWaalsContact O-N 3.1Å; D42-K44 WeakPolarHBondContact OD1-CB 3.38Å; D42-K44 WeakPolarHBondContact OD1-CG 3.29Å; D42-K44 PolarHBondContact OD1-N 3.34Å; K44-F46 VanDerWaalsContact C-N 3.27Å; K44-F46 PolarHBondContact O-N 2.89Å; K44-N47 PolarHBondContact O-N 3.49Å
45L75.8Confident76.5Confident47 Ų4787.7 Ų87.725%0.24646%0.455CS..G310 helixtrans-68.3-27.4174.8-65.9176.2000112.4V41 D42 P43 H51V41-L45 HydrophobicContact CG1-CD1 3.69Å; D42-L45 HydrophobicContact CB-CD1 4.48Å; D42-L45 HydrophobicContact CB-CG 4.4Å; D42-L45 WeakPolarHBondContact O-CB 3.42Å; D42-L45 PolarHBondContact O-N 3.04Å; P43-L45 PolarHBondContact O-N 3.16Å; P43-L45 VanDerWaalsContact O-N 3.11Å; L45-H51 PolarHBondContact O-CD2 3.16Å
46F74.4Confident78.3Confident34 Ų3482.2 Ų82.215%0.14942%0.419CS..THydrogen-bonded Turntrans-85.5-20.4179.9-63.8-86000113.3V41 P43 K44 K48 F58 I119 W174V41-F46 HydrophobicContact CB-CE2 4.35Å; V41-F46 HydrophobicContact CG1-CE2 3.81Å; V41-F46 HydrophobicContact CG1-CZ 4.37Å; P43-F46 PolarHBondContact O-N 3.04Å; K44-F46 VanDerWaalsContact C-N 3.27Å; K44-F46 PolarHBondContact O-N 2.89Å; F46-K48 VanDerWaalsContact C-N 3.28Å; F46-K48 PolarHBondContact O-N 3.39Å; F46-F58 HydrophobicContact CD1-CD2 4.17Å; F46-F58 HydrophobicContact CD1-CE2 4.44Å; F46-F58 HydrophobicContact CD1-CG 4.22Å; F46-F58 HydrophobicContact CE1-CB 4.39Å; F46-F58 AromaticContact CE1-CD1 3.53Å; F46-F58 HydrophobicContact CE1-CD1 3.53Å; F46-F58 AromaticContact CE1-CD2 3.75Å; F46-F58 HydrophobicContact CE1-CD2 3.75Å; F46-F58 AromaticContact CE1-CE1 3.55Å; F46-F58 HydrophobicContact CE1-CE1 3.55Å; F46-F58 AromaticContact CE1-CE2 3.8Å; F46-F58 HydrophobicContact CE1-CE2 3.8Å; F46-F58 AromaticContact CE1-CG 3.62Å; F46-F58 HydrophobicContact CE1-CG 3.62Å; F46-F58 AromaticContact CE1-CZ 3.7Å; F46-F58 HydrophobicContact CE1-CZ 3.7Å; F46-F58 HydrophobicContact CZ-CD1 4.05Å; F46-F58 AromaticContact CZ-CE1 3.94Å; F46-F58 HydrophobicContact CZ-CE1 3.94Å; F46-F58 HydrophobicContact CZ-CZ 4.38Å; F46-I119 HydrophobicContact CD1-CD1 4.35Å; F46-I119 HydrophobicContact CD2-CD1 3.98Å; F46-I119 HydrophobicContact CD2-CG1 4.31Å; F46-I119 HydrophobicContact CD2-CG2 4.25Å; F46-I119 HydrophobicContact CE1-CD1 3.78Å; F46-I119 HydrophobicContact CE2-CD1 3.36Å; F46-I119 HydrophobicContact CE2-CG1 3.63Å; F46-I119 HydrophobicContact CE2-CG2 4.37Å; F46-I119 HydrophobicContact CG-CD1 4.44Å; F46-I119 HydrophobicContact CZ-CD1 3.25Å; F46-I119 HydrophobicContact CZ-CG1 3.97Å; F46-W174 HydrophobicContact CD1-CH2 4.17Å; F46-W174 HydrophobicContact CD1-CZ2 4.27Å; F46-W174 AromaticContact CE1-CH2 3.62Å; F46-W174 HydrophobicContact CE1-CH2 3.62Å; F46-W174 AromaticContact CE1-CZ2 3.72Å; F46-W174 HydrophobicContact CE1-CZ2 3.72Å; F46-W174 HydrophobicContact CE2-CZ2 4.49Å; F46-W174 HydrophobicContact CZ-CH2 4.16Å; F46-W174 AromaticContact CZ-CZ2 3.84Å; F46-W174 HydrophobicContact CZ-CZ2 3.84Å
47N73.1Confident80Confident135 Ų13580.1 Ų80.172%0.72240%0.403SS*.SBendtrans-76.4-16.2176.2-70.3-17.2000113K44K44-N47 PolarHBondContact O-N 3.49Å
48K75.1Confident80.9Confident92 Ų9278.1 Ų78.140%0.439%0.386SS..SBendtrans-83.8119.4-179.9-63.1-179.9-176179.60109.8F46 R50 H51F46-K48 VanDerWaalsContact C-N 3.28Å; F46-K48 PolarHBondContact O-N 3.39Å; K48-R50 HydrophobicContact CB-CG 4.18Å; K48-R50 PolarHBondContact O-N 3.05Å; K48-H51 PolarHBondContact O-N 2.99Å
49R71.9Confident81.4Confident226 Ų22676.5 Ų76.585%0.85338%0.38SS*.G310 helixtrans-48.1-34.2178.4-67.9-173.3-177.9-177.80.9114H51 L52R49-H51 PolarHBondContact O-N 3.3Å; R49-H51 VanDerWaalsContact O-N 3.16Å; R49-L52 PolarHBondContact O-N 2.87Å; R49-L52 VanDerWaalsContact O-N 3.16Å
50R70.5Confident81.8Confident152 Ų15277 Ų7757%0.57439%0.387SS*.G310 helixtrans-62.7-19.1-18075.9-171.1-177.3-162.57.7114.8K48 R163K48-R50 HydrophobicContact CB-CG 4.18Å; K48-R50 PolarHBondContact O-N 3.05Å; R50-R163 WeakPolarHBondContact O-CD 3.43Å; R50-R163 PolarHBondContact O-NE 3.18Å
51H69.8Low81.9Confident19 Ų1977.8 Ų77.89%0.08838%0.383CS..G310 helixtrans-101.8-3.6179.9-61.5-60.6000112.7L45 K48 R49 W174L45-H51 PolarHBondContact O-CD2 3.16Å; K48-H51 PolarHBondContact O-N 2.99Å; R49-H51 PolarHBondContact O-N 3.3Å; R49-H51 VanDerWaalsContact O-N 3.16Å; H51-W174 HydrophobicContact CB-CD2 4.47Å; H51-W174 HydrophobicContact CB-CE3 4.47Å; H51-W174 HydrophobicContact CB-CH2 4.19Å; H51-W174 HydrophobicContact CB-CZ2 4.21Å; H51-W174 HydrophobicContact CB-CZ3 4.33Å; H51-W174 AromaticContact ND1-CD2 3.86Å; H51-W174 AromaticContact ND1-CG 3.83Å
52L75.7Confident82Confident112 Ų11281.5 Ų81.559%0.58641%0.407SS*.  trans-83.7124.5174.5-62.6173.9000109.4R49R49-L52 PolarHBondContact O-N 2.87Å; R49-L52 VanDerWaalsContact O-N 3.16Å
53S80.3Confident82.1Confident18 Ų1879.1 Ų79.113%0.12640%0.396CS..  trans-112.2129.5171-59.30000108.5R55 V56 R163S53-R55 PolarHBondContact O-N 2.92Å; S53-V56 PolarHBondContact O-N 2.81Å; S53-V56 VanDerWaalsContact O-O 3.1Å; S53-R163 WeakPolarHBondContact OG-CB 3.15Å; S53-R163 PolarHBondContact OG-N 3.12Å; S53-R163 PolarHBondContact OG-O 2.93Å
54P86.2Confident81.8Confident131 Ų13184.2 Ų84.285%0.85142%0.421SS*.THydrogen-bonded Turntrans-56.9-22.1-179-27.334.8000114.8
55R92.2Very high81Confident69 Ų6981.3 Ų81.326%0.2642%0.423SS..THydrogen-bonded Turntrans-105.98.9-179-66.4-176.6169.5-111.86.5113.8S53 F128 F129 V162 I179 V181S53-R55 PolarHBondContact O-N 2.92Å; R55-F128 CarbonylContact O-C 3.44Å; R55-F128 WeakPolarHBondContact O-CA 3.29Å; R55-F129 HydrophobicContact CB-CB 4.22Å; R55-F129 HydrophobicContact CG-CB 4.43Å; R55-F129 PolarHBondContact NH1-O 3.33Å; R55-F129 VanDerWaalsContact NH1-O 3.12Å; R55-F129 PolarHBondContact O-N 2.78Å; R55-V162 HydrophobicContact CB-CG1 4.22Å; R55-I179 HydrophobicContact CB-CD1 3.97Å; R55-V181 PolarHBondContact NH1-O 2.92Å; R55-V181 VanDerWaalsContact NH2-CG2 3.35Å; R55-V181 PolarHBondContact NH2-O 3.37Å
56V93.3Very high80.2Confident15 Ų1586.6 Ų86.69%0.09145%0.447CS..EExtended strand (participates in β ladder)trans-127.1120.9177.5-171.40000109.3S53 F58 Y127 F128 V162S53-V56 PolarHBondContact O-N 2.81Å; S53-V56 VanDerWaalsContact O-O 3.1Å; V56-F58 HydrophobicContact CG1-CD2 4.48Å; V56-F58 HydrophobicContact CG1-CE2 4Å; V56-Y127 CarbonylContact C-O 3.56Å; V56-Y127 VanDerWaalsContact CA-O 3.29Å; V56-Y127 WeakPolarHBondContact CA-O 3.38Å; V56-F128 HydrophobicContact CB-CE1 4.48Å; V56-F128 HydrophobicContact CG1-CD1 4.2Å; V56-F128 HydrophobicContact CG1-CE1 3.83Å; V56-F128 HydrophobicContact CG1-CZ 4.41Å; V56-F128 HydrophobicContact CG2-CD1 3.72Å; V56-F128 HydrophobicContact CG2-CE1 3.82Å; V56-V162 HydrophobicContact CG2-CB 3.66Å; V56-V162 HydrophobicContact CG2-CG1 4.31Å; V56-V162 HydrophobicContact CG2-CG2 3.57Å
57L92.1Very high79.1Confident66 Ų6687 Ų8735%0.34645%0.453SS..EExtended strand (participates in β ladder)trans-116.1128.8179.1177.866.8000110.2P63 W96 Y127L57-P63 HydrophobicContact CD2-CB 3.65Å; L57-P63 HydrophobicContact CD2-CG 3.96Å; L57-W96 HydrophobicContact CB-CH2 3.91Å; L57-W96 HydrophobicContact CB-CZ3 3.8Å; L57-Y127 PolarHBondContact N-O 2.97Å; L57-Y127 PolarHBondContact O-N 2.98Å
58F91.1Very high77.9Confident34 Ų3485.8 Ų85.815%0.14946%0.462CS..EExtended strand (participates in β ladder)trans-95.9108170.2-71.2-101.3000109.3F46 V56 V117 I119 K124 K125 Q126 W174F46-F58 HydrophobicContact CD1-CD2 4.17Å; F46-F58 HydrophobicContact CD1-CE2 4.44Å; F46-F58 HydrophobicContact CD1-CG 4.22Å; F46-F58 HydrophobicContact CE1-CB 4.39Å; F46-F58 AromaticContact CE1-CD1 3.53Å; F46-F58 HydrophobicContact CE1-CD1 3.53Å; F46-F58 AromaticContact CE1-CD2 3.75Å; F46-F58 HydrophobicContact CE1-CD2 3.75Å; F46-F58 AromaticContact CE1-CE1 3.55Å; F46-F58 HydrophobicContact CE1-CE1 3.55Å; F46-F58 AromaticContact CE1-CE2 3.8Å; F46-F58 HydrophobicContact CE1-CE2 3.8Å; F46-F58 AromaticContact CE1-CG 3.62Å; F46-F58 HydrophobicContact CE1-CG 3.62Å; F46-F58 AromaticContact CE1-CZ 3.7Å; F46-F58 HydrophobicContact CE1-CZ 3.7Å; F46-F58 HydrophobicContact CZ-CD1 4.05Å; F46-F58 AromaticContact CZ-CE1 3.94Å; F46-F58 HydrophobicContact CZ-CE1 3.94Å; F46-F58 HydrophobicContact CZ-CZ 4.38Å; V56-F58 HydrophobicContact CG1-CD2 4.48Å; V56-F58 HydrophobicContact CG1-CE2 4Å; F58-V117 HydrophobicContact CE1-CG2 4.46Å; F58-I119 HydrophobicContact CD1-CD1 4.24Å; F58-K124 HydrophobicContact CB-CD 4.43Å; F58-K125 WeakPolarHBondContact CA-O 3.41Å; F58-Q126 HydrophobicContact CD1-CG 3.77Å; F58-Q126 HydrophobicContact CE1-CG 3.28Å; F58-Q126 HydrophobicContact CE2-CG 4.44Å; F58-Q126 HydrophobicContact CZ-CG 3.66Å; F58-Q126 VanDerWaalsContact CZ-OE1 3.24Å; F58-W174 HydrophobicContact CE1-CH2 4.44Å; F58-W174 AromaticContact CE2-CH2 3.73Å; F58-W174 HydrophobicContact CE2-CH2 3.73Å; F58-W174 HydrophobicContact CE2-CZ3 4.02Å; F58-W174 AromaticContact CZ-CH2 3.53Å; F58-W174 HydrophobicContact CZ-CH2 3.53Å; F58-W174 AromaticContact CZ-CZ3 3.83Å; F58-W174 HydrophobicContact CZ-CZ3 3.83Å
59S90.5Very high76.4Confident27 Ų2785.1 Ų85.119%0.18948%0.481CS..EExtended strand (participates in β ladder)trans-142.4152-176.3-175.40000111.2Q61 K125S59-Q61 WeakPolarHBondContact CB-O 3.42Å; S59-Q61 PolarHBondContact OG-N 2.96Å; S59-Q61 PolarHBondContact OG-O 3.3Å; S59-K125 PolarHBondContact N-O 2.85Å; S59-K125 VanDerWaalsContact N-O 3.08Å; S59-K125 PolarHBondContact O-N 2.94Å
60A89.9Confident75.2Confident47 Ų4777.3 Ų77.339%0.38847%0.471SS..SBendtrans-82.4-22.6170.600000111.7V122A60-V122 HydrophobicContact CB-CG1 4.12Å
61Q88.8Confident73.6Confident131 Ų13178.7 Ų78.761%0.61248%0.484SS*.SBendtrans-115.1148178.3-66.982.31.600110.8S59S59-Q61 WeakPolarHBondContact CB-O 3.42Å; S59-Q61 PolarHBondContact OG-N 2.96Å; S59-Q61 PolarHBondContact OG-O 3.3Å
62P85.9Confident72.2Confident94 Ų9481.1 Ų81.161%0.6151%0.514SS*.PPolyproline II helixtrans-61.6136.2174.626.2-32.9000110.6Y127P62-Y127 WeakPolarHBondContact CA-OH 3.29Å; P62-Y127 HydrophobicContact CB-CE1 3.97Å
63P84.4Confident70.5Confident33 Ų3382.5 Ų82.521%0.21453%0.527CS..PPolyproline II helixtrans-70.1153.2175.128.2-33.9000111.8L57 W96 Y127L57-P63 HydrophobicContact CD2-CB 3.65Å; L57-P63 HydrophobicContact CD2-CG 3.96Å; P63-W96 HydrophobicContact CB-CD2 4.24Å; P63-W96 HydrophobicContact CB-CG 4.24Å; P63-W96 HydrophobicContact CG-CB 3.7Å; P63-W96 HydrophobicContact CG-CD2 3.44Å; P63-W96 VanDerWaalsContact CG-CD2 3.44Å; P63-W96 HydrophobicContact CG-CE3 4Å; P63-W96 HydrophobicContact CG-CG 3.32Å; P63-W96 HydrophobicContact CG-CZ2 4.47Å; P63-Y127 HydrophobicContact CG-CD1 4.35Å; P63-Y127 HydrophobicContact CG-CG 4.21Å
64D77.1Confident68.6Low145 Ų14586 Ų8678%0.77555%0.551SS**PPolyproline II helixtrans-63152.4166.9-61.5-36.5000110.2E66 W96D64-E66 PolarHBondContact O-N 3.21Å; D64-W96 VanDerWaalsContact O-CD1 3.31Å; D64-W96 PolarHBondContact O-NE1 2.95Å; D64-W96 VanDerWaalsContact O-NE1 3.14Å
65A62.9Low66.6Low80 Ų8092 Ų9266%0.66156%0.557SS**SBendtrans-57.8-14.4-163.300000116.9
66E58.7Low64.2Low159 Ų15999 Ų9974%0.74358%0.583SS**SBendtrans-113.5124.8-178.8-78.1-77.3148.800111.1D64 A68D64-E66 PolarHBondContact O-N 3.21Å; E66-A68 PolarHBondContact O-N 3.11Å
67P52.8Low62Low43 Ų43104.2 Ų104.228%0.27962%0.616SS.*  trans-63.8122.5171.126.9-31.9000108.1G69 W96 F129P67-G69 PolarHBondContact O-N 3.04Å; P67-W96 HydrophobicContact CB-CH2 4.38Å; P67-W96 HydrophobicContact CB-CZ2 3.67Å; P67-F129 VanDerWaalsContact CD-CE2 3.47Å; P67-F129 VanDerWaalsContact CD-CZ 3.42Å; P67-F129 HydrophobicContact CG-CD1 3.92Å; P67-F129 HydrophobicContact CG-CD2 4.25Å; P67-F129 HydrophobicContact CG-CE1 3.7Å; P67-F129 HydrophobicContact CG-CE2 4.05Å; P67-F129 HydrophobicContact CG-CG 4.18Å; P67-F129 HydrophobicContact CG-CZ 3.74Å
68A47.1Very low59.9Low109 Ų109111.2 Ų111.290%0.90164%0.637SS**  trans-64.576.6175.300000110.9E66 G70E66-A68 PolarHBondContact O-N 3.11Å; A68-G70 PolarHBondContact O-N 3.5Å
69G43.8Very low58Low77 Ų77119.9 Ų119.979%0.79467%0.669SS**  trans-80.883.5170.200000109.9P67P67-G69 PolarHBondContact O-N 3.04Å
70G46.2Very low56.3Low63 Ų63125.3 Ų125.365%0.64969%0.692SS**SBendtrans87.2130.4160.600000116.3A68A68-G70 PolarHBondContact O-N 3.5Å
71Q37.2Very low54.6Low180 Ų180127.6 Ų127.684%0.84170%0.702SS**  trans88101.8165.5-55.1-178.4-12.200115.3
72G39.9Very low53.2Low71 Ų71130.1 Ų130.173%0.73271%0.714SS**  trans-51.9154.8140.500000109.8
73V40.2Very low52.2Low140 Ų140131.5 Ų131.585%0.84871%0.712SS**  trans108.1102.1-173.3-176.40000112.5
74S40.4Very low51.8Low91 Ų91142 Ų14264%0.63675%0.747SS**  trans71.5111.8150.9-156.50000118.3R76S74-R76 PolarHBondContact O-N 3.47Å
75R43.9Very low52Low258 Ų258138 Ų13897%0.97474%0.741SS**  trans-6270.1160.9-76178.5175.6143.8-3.4110.7
76R41.3Very low53.2Low215 Ų215139.4 Ų139.481%0.81174%0.74SS**  trans-115.6114.1152.8-77.8-174.6-178.4172.71.2106.1S74 R78S74-R76 PolarHBondContact O-N 3.47Å; R76-R78 VanDerWaalsContact C-N 3.27Å; R76-R78 PolarHBondContact O-N 2.9Å
77T48Very low54.5Low126 Ų126141.2 Ų141.277%0.77374%0.742SS**  trans-39.887.5171.8-32.70000110.6R79T77-R79 HydrophobicContact CG2-CG 4.02Å; T77-R79 PolarHBondContact O-N 2.89Å
78R46.8Very low56.3Low212 Ų212142.7 Ų142.780%0.875%0.753SS**  trans-77.665.3164.4-168.2176.6163.5169.9-4.8106.2R76 Q80R76-R78 VanDerWaalsContact C-N 3.27Å; R76-R78 PolarHBondContact O-N 2.9Å; R78-Q80 VanDerWaalsContact C-N 3.31Å; R78-Q80 PolarHBondContact O-N 3.1Å
79R52.2Low58.5Low217 Ų217140.3 Ų140.382%0.81973%0.727SS**  trans-47.9111.6149.4-87.1176.9167.4174-4103.1T77T77-R79 HydrophobicContact CG2-CG 4.02Å; T77-R79 PolarHBondContact O-N 2.89Å
80Q55.3Low60.8Low141 Ų141137 Ų13766%0.65969%0.692SS**  trans-47.5133.4169.8-71.6-150.4-2.800106.4R78 Q82R78-Q80 VanDerWaalsContact C-N 3.31Å; R78-Q80 PolarHBondContact O-N 3.1Å; Q80-Q82 PolarHBondContact O-N 3.37Å
81P54.1Low62.9Low95 Ų95139.2 Ų139.262%0.61769%0.686SS**  trans-52.9115.2172-13.324.8000104.5H83P81-H83 PolarHBondContact O-N 2.97Å
82Q59.9Low65.5Low184 Ų184133.4 Ų133.486%0.8667%0.665SS**  trans-55.9105.3165.8-75.5-175.3-11.400103.3Q80 R84Q80-Q82 PolarHBondContact O-N 3.37Å; Q82-R84 PolarHBondContact O-N 3Å
83H63.9Low68Low123 Ų123133 Ų13357%0.56965%0.648SS**  trans-58.795.3-179-69.8-76.2000105.2P81 G85 V86P81-H83 PolarHBondContact O-N 2.97Å; H83-G85 PolarHBondContact O-N 2.82Å; H83-G85 VanDerWaalsContact O-N 3.12Å; H83-V86 HydrophobicContact CB-CB 3.87Å; H83-V86 HydrophobicContact CB-CG2 3.82Å; H83-V86 PolarHBondContact O-N 2.89Å
84R76.2Confident70.5Confident253 Ų253128.7 Ų128.796%0.95562%0.624SS**THydrogen-bonded Turntrans-55.5124.2-173.2-84.3-175.4169.5-177.5-3107.6Q82Q82-R84 PolarHBondContact O-N 3Å
85G81.9Confident73Confident61 Ų61128.3 Ų128.363%0.62962%0.618SS**THydrogen-bonded Turntrans88.8-0-17800000116H83H83-G85 PolarHBondContact O-N 2.82Å; H83-G85 VanDerWaalsContact O-N 3.12Å
86V87.2Confident75.4Confident109 Ų109117.8 Ų117.866%0.66158%0.578SS**  trans-106.8119.7173.2-174.10000109.4H83H83-V86 HydrophobicContact CB-CB 3.87Å; H83-V86 HydrophobicContact CB-CG2 3.82Å; H83-V86 PolarHBondContact O-N 2.89Å
87Y86.8Confident77.9Confident198 Ų198109.2 Ų109.278%0.77655%0.549SS*.  trans-122141.7179.6-62-88.1000109.5
88S89.7Confident80.1Confident73 Ų73103.8 Ų103.851%0.5152%0.518SS..  trans-70.1144.3171.960.90000110C90S88-C90 VanDerWaalsContact CB-O 3.24Å; S88-C90 WeakPolarHBondContact CB-O 3.38Å; S88-C90 PolarHBondContact O-N 3.42Å; S88-C90 PolarHBondContact OG-O 2.99Å
89V92.6Very high82.3Confident59 Ų5999.5 Ų99.536%0.35851%0.511SS..SBendtrans-66.7-31.8176.3171.50000111.4C143 L144 I146 C185V89-C143 HydrophobicContact CG1-CB 3.4Å; V89-L144 WeakPolarHBondContact CG1-O 3.36Å; V89-L144 PolarHBondContact O-N 2.83Å; V89-I146 HydrophobicContact CG1-CD1 4.47Å; V89-I146 HydrophobicContact CG1-CG1 4.31Å; V89-C185 HydrophobicContact CG1-CB 3.63Å
90C92.4Very high84.3Confident9 Ų991.2 Ų91.26%0.06148%0.481CS..SBendtrans-123.9135.6174.1-64.80000109S88 C155 C183S88-C90 VanDerWaalsContact CB-O 3.24Å; S88-C90 WeakPolarHBondContact CB-O 3.38Å; S88-C90 PolarHBondContact O-N 3.42Å; S88-C90 PolarHBondContact OG-O 2.99Å; C90-C155 VanDerWaalsContact CA-SG 3.59Å; C90-C155 HydrophobicContact CB-CB 3.77Å; C90-C155 WeakPolarHBondContact CB-SG 3.29Å; C90-C155 VanDerWaalsContact SG-CA 3.57Å; C90-C155 WeakPolarHBondContact SG-CB 3.29Å; C90-C155 CovalentContact SG-SG 2.03Å; C90-C155 PolarHBondContact SG-SG 2.88Å; C90-C183 HydrophobicContact CB-CB 4.36Å; C90-C183 WeakPolarHBondContact CB-SG 3.4Å
91E90.6Very high86.2Confident109 Ų10988.8 Ų88.851%0.50948%0.476SS..  trans-77.9138.9172.7-171.7176.9-164.200109.5H134E91-H134 HydrophobicContact CB-CB 3.89Å; E91-H134 HydrophobicContact CG-CB 3.68Å; E91-H134 PolarHBondContact O-N 2.85Å; E91-H134 IonicContact OE1-ND1 3.78Å; E91-H134 IonicContact OE2-CE1 3.54Å; E91-H134 IonicContact OE2-CG 3.63Å; E91-H134 IonicContact OE2-ND1 2.75Å; E91-H134 PolarHBondContact OE2-ND1 3.37Å
92S92.7Very high88.2Confident57 Ų5789.5 Ų89.540%0.39947%0.47SS..EExtended strand (participates in β ladder)trans-138.7145.4-17767.20000111.4T132S92-T132 CarbonylContact C-O 3.53Å; S92-T132 VanDerWaalsContact CA-O 3.24Å; S92-T132 WeakPolarHBondContact CA-O 3.47Å
93V92.4Very high90Very high63 Ų6381.2 Ų81.238%0.38243%0.432SS..EExtended strand (participates in β ladder)trans-117.2132.4176-171.30000108.5V95 T131 T132 H134V93-V95 HydrophobicContact CG1-CG2 3.87Å; V93-T131 CarbonylContact O-C 3.58Å; V93-T131 WeakPolarHBondContact O-CA 3.36Å; V93-T132 PolarHBondContact N-O 2.8Å; V93-T132 PolarHBondContact O-N 3.44Å; V93-H134 HydrophobicContact CG2-CB 4.06Å
94S92.7Very high91.6Very high50 Ų5077.9 Ų77.935%0.3542%0.42SS..EExtended strand (participates in β ladder)trans-113.2130.4174.8-54.20000110.5E130 T131S94-E130 CarbonylContact C-O 3.55Å; S94-E130 VanDerWaalsContact CA-O 3.28Å; S94-E130 WeakPolarHBondContact CA-O 3.48Å; S94-T131 WeakPolarHBondContact OG-CB 3.39Å; S94-T131 WeakPolarHBondContact OG-CG2 3.47Å; S94-T131 PolarHBondContact OG-OG1 3.45Å
95V93.2Very high92.6Very high82 Ų8266.5 Ų66.550%0.49738%0.379SS..EExtended strand (participates in β ladder)trans-143.5147.5-175.8-173.80000110.3V93 V97 E130V93-V95 HydrophobicContact CG1-CG2 3.87Å; V95-V97 PolarHBondContact O-N 2.82Å; V95-E130 PolarHBondContact N-O 3.08Å; V95-E130 PolarHBondContact O-N 2.88Å
96W93.6Very high93.3Very high38 Ų3868.2 Ų68.214%0.14437%0.373CS..EExtended strand (participates in β ladder)trans-77.4108.5165.7-72.5109.5000111.2L57 P63 D64 P67 F128 F129L57-W96 HydrophobicContact CB-CH2 3.91Å; L57-W96 HydrophobicContact CB-CZ3 3.8Å; P63-W96 HydrophobicContact CB-CD2 4.24Å; P63-W96 HydrophobicContact CB-CG 4.24Å; P63-W96 HydrophobicContact CG-CB 3.7Å; P63-W96 HydrophobicContact CG-CD2 3.44Å; P63-W96 VanDerWaalsContact CG-CD2 3.44Å; P63-W96 HydrophobicContact CG-CE3 4Å; P63-W96 HydrophobicContact CG-CG 3.32Å; P63-W96 HydrophobicContact CG-CZ2 4.47Å; D64-W96 VanDerWaalsContact O-CD1 3.31Å; D64-W96 PolarHBondContact O-NE1 2.95Å; D64-W96 VanDerWaalsContact O-NE1 3.14Å; P67-W96 HydrophobicContact CB-CH2 4.38Å; P67-W96 HydrophobicContact CB-CZ2 3.67Å; W96-F128 CarbonylContact C-O 3.56Å; W96-F128 WeakPolarHBondContact CA-O 3.37Å; W96-F129 HydrophobicContact CD2-CB 4.07Å; W96-F129 AromaticContact CD2-CD2 3.79Å; W96-F129 HydrophobicContact CD2-CD2 3.79Å; W96-F129 HydrophobicContact CD2-CG 4.4Å; W96-F129 AromaticContact CE2-CD2 3.74Å; W96-F129 HydrophobicContact CE3-CB 3.77Å; W96-F129 HydrophobicContact CE3-CD2 4.36Å; W96-F129 HydrophobicContact CG-CD2 4.01Å; W96-F129 HydrophobicContact CH2-CB 3.98Å; W96-F129 HydrophobicContact CZ2-CB 4.27Å; W96-F129 HydrophobicContact CZ2-CD2 4.3Å; W96-F129 HydrophobicContact CZ3-CB 3.71Å; W96-F129 AromaticContact NE1-CD2 3.84Å
97V94.7Very high93.7Very high35 Ų3567 Ų6721%0.21237%0.369CS..EExtended strand (participates in β ladder)trans-92112178.4-175.50000109V95 D99 K100 Y127 F128 E130V95-V97 PolarHBondContact O-N 2.82Å; V97-D99 WeakPolarHBondContact CG1-OD1 3.37Å; V97-K100 HydrophobicContact CG1-CB 4.16Å; V97-Y127 WeakPolarHBondContact O-CA 3.4Å; V97-F128 PolarHBondContact N-O 2.85Å; V97-F128 PolarHBondContact O-N 2.8Å; V97-E130 HydrophobicContact CB-CG 4.49Å; V97-E130 HydrophobicContact CG2-CB 3.97Å; V97-E130 HydrophobicContact CG2-CG 4.01Å
98G92.9Very high94.2Very high11 Ų1160.1 Ų60.111%0.11336%0.358CS..  trans-100.6-21.4177.200000113.6K100 K125G98-K100 VanDerWaalsContact C-N 3.29Å; G98-K100 PolarHBondContact O-N 3.16Å; G98-K125 VanDerWaalsContact C-NZ 3.29Å; G98-K125 WeakPolarHBondContact O-CD 3.34Å; G98-K125 WeakPolarHBondContact O-CE 3.45Å; G98-K125 PolarHBondContact O-NZ 3.01Å
99D92.8Very high94.5Very high123 Ų12360 Ų6066%0.65835%0.352SS*.  trans-91.519.9-174.959.6-30.8000113.5V97 T101V97-D99 WeakPolarHBondContact CG1-OD1 3.37Å; D99-T101 PolarHBondContact O-N 2.97Å
100K94.6Very high94.7Very high42 Ų4263 Ų6318%0.18336%0.362CS..  trans-70.9116.1176.6-161.5177.2-168.574.40110.7V97 G98 V113 F128 E130V97-K100 HydrophobicContact CG1-CB 4.16Å; G98-K100 VanDerWaalsContact C-N 3.29Å; G98-K100 PolarHBondContact O-N 3.16Å; K100-V113 HydrophobicContact CG-CG2 4.43Å; K100-V113 WeakPolarHBondContact O-CB 3.47Å; K100-V113 WeakPolarHBondContact O-CG1 3.46Å; K100-F128 HydrophobicContact CB-CD2 3.89Å; K100-F128 HydrophobicContact CB-CE2 4.06Å; K100-F128 HydrophobicContact CD-CD2 3.82Å; K100-F128 HydrophobicContact CD-CE2 4.12Å; K100-F128 HydrophobicContact CD-CG 4.14Å; K100-F128 HydrophobicContact CG-CD2 4.48Å; K100-E130 WeakPolarHBondContact CD-OE1 3.32Å; K100-E130 WeakPolarHBondContact CE-OE1 2.84Å; K100-E130 IonicContact NZ-OE1 3.37Å; K100-E130 PolarHBondContact NZ-OE1 3.16Å; K100-E130 IonicContact NZ-OE2 2.81Å
101T95.5Very high95Very high90 Ų9062.7 Ų62.755%0.55236%0.36SS*.  trans-105.8-24.3-179.855.50000113.6D99 T112 V113D99-T101 PolarHBondContact O-N 2.97Å; T101-T112 CarbonylContact O-C 3.57Å; T101-T112 WeakPolarHBondContact O-CA 3.43Å; T101-T112 WeakPolarHBondContact O-CG2 3.41Å; T101-V113 PolarHBondContact O-N 3.35Å
102K96.3Very high95.3Very high111 Ų11161 Ų6148%0.48336%0.357SS..EExtended strand (participates in β ladder)trans-132.7148.9-178.3-69.3-177.1163.2-148.60111E110 V111K102-E110 WeakPolarHBondContact CD-OE1 3.2Å; K102-E110 IonicContact NZ-OE1 3.69Å; K102-E110 PolarHBondContact NZ-OE1 3.26Å; K102-E110 IonicContact NZ-OE2 3.98Å; K102-E110 PolarHBondContact NZ-OE2 2.92Å; K102-V111 WeakPolarHBondContact CA-O 3.5Å
103A97Very high95.5Very high9 Ų958.4 Ų58.47%0.07434%0.339CS..EExtended strand (participates in β ladder)trans-153.6165.717200000111.1V111 V113 I177A103-V111 HydrophobicContact CB-CG2 4.49Å; A103-V111 PolarHBondContact N-O 3.47Å; A103-V111 WeakPolarHBondContact O-CG2 3.5Å; A103-V111 PolarHBondContact O-N 2.96Å; A103-V113 HydrophobicContact CB-CG2 3.91Å; A103-I177 HydrophobicContact CB-CB 3.76Å; A103-I177 HydrophobicContact CB-CD1 3.78Å; A103-I177 HydrophobicContact CB-CG1 4.33Å; A103-I177 HydrophobicContact CB-CG2 4Å
104T98.1Very high95.5Very high53 Ų5356.3 Ų56.333%0.32533%0.325SS..EExtended strand (participates in β ladder)trans-96.9127.1172.3-47.20000109.4N109 I177 R178T104-N109 WeakPolarHBondContact CA-O 3.37Å; T104-I177 CarbonylContact O-C 3.52Å; T104-I177 WeakPolarHBondContact O-CA 2.9Å; T104-R178 WeakPolarHBondContact O-CB 3.41Å; T104-R178 PolarHBondContact O-N 3.22Å
105D96.8Very high95.4Very high15 Ų1557.4 Ų57.48%0.0833%0.331CS..BIsolated β-bridgetrans-74166.6173179.744.1000111.6S107 G108 N109 V111 L176D105-S107 PolarHBondContact O-N 2.92Å; D105-S107 VanDerWaalsContact O-N 3.16Å; D105-S107 PolarHBondContact OD2-OG 3.01Å; D105-S107 VanDerWaalsContact OD2-OG 3.04Å; D105-G108 PolarHBondContact O-N 2.8Å; D105-N109 PolarHBondContact N-O 2.84Å; D105-V111 HydrophobicContact CB-CG1 3.88Å; D105-V111 HydrophobicContact CB-CG2 4.39Å; D105-L176 CarbonylContact C-O 3.59Å; D105-L176 WeakPolarHBondContact CA-O 3.37Å; D105-L176 PolarHBondContact OD1-N 3.43Å
106I96.4Very high95.3Very high97 Ų9758.7 Ų58.750%0.49733%0.328SS..THydrogen-bonded Turntrans-57.3-28.2176.1-165.6168.2000112.8G108 F161 L176I106-G108 PolarHBondContact O-N 2.89Å; I106-F161 VanDerWaalsContact CA-CE1 3.47Å; I106-F161 HydrophobicContact CB-CD1 4.09Å; I106-F161 HydrophobicContact CB-CE1 4.02Å; I106-F161 HydrophobicContact CB-CZ 4.47Å; I106-F161 HydrophobicContact CG1-CD1 4.43Å; I106-F161 HydrophobicContact CG1-CE1 4.29Å; I106-F161 HydrophobicContact CG1-CE2 4.43Å; I106-F161 HydrophobicContact CG1-CZ 4.27Å; I106-L176 HydrophobicContact CB-CB 4.11Å; I106-L176 HydrophobicContact CD1-CD1 4.07Å; I106-L176 HydrophobicContact CG2-CB 4.23Å; I106-L176 PolarHBondContact N-O 3.45Å
107S96.1Very high95.1Very high83 Ų8356.9 Ų56.958%0.5832%0.321SS*.THydrogen-bonded Turntrans-77-1.8175.7-42.40000113.6D105 N109D105-S107 PolarHBondContact O-N 2.92Å; D105-S107 VanDerWaalsContact O-N 3.16Å; D105-S107 PolarHBondContact OD2-OG 3.01Å; D105-S107 VanDerWaalsContact OD2-OG 3.04Å; S107-N109 VanDerWaalsContact C-N 3.32Å; S107-N109 PolarHBondContact O-N 2.95Å
108G96.3Very high94.9Very high54 Ų5456.5 Ų56.556%0.55732%0.318SS*.SBendtrans84.4-2.6-177.400000115.1D105 I106D105-G108 PolarHBondContact O-N 2.8Å; I106-G108 PolarHBondContact O-N 2.89Å
109N96.9Very high94.6Very high71 Ų7156.2 Ų56.238%0.3831%0.314SS..  trans-76.5142179.8-61.6-53.2000111.8T104 D105 S107 F168T104-N109 WeakPolarHBondContact CA-O 3.37Å; D105-N109 PolarHBondContact N-O 2.84Å; S107-N109 VanDerWaalsContact C-N 3.32Å; S107-N109 PolarHBondContact O-N 2.95Å; N109-F168 HydrophobicContact CB-CE2 3.98Å; N109-F168 HydrophobicContact CB-CZ 3.93Å
110E97.6Very high94.3Very high122 Ų12256 Ų5657%0.5731%0.312SS*.EExtended strand (participates in β ladder)trans-72.6125.6166.9-170179.3-119.200109.5K102 F168K102-E110 WeakPolarHBondContact CD-OE1 3.2Å; K102-E110 IonicContact NZ-OE1 3.69Å; K102-E110 PolarHBondContact NZ-OE1 3.26Å; K102-E110 IonicContact NZ-OE2 3.98Å; K102-E110 PolarHBondContact NZ-OE2 2.92Å; E110-F168 VanDerWaalsContact O-CD2 3.29Å; E110-F168 WeakPolarHBondContact O-CD2 3.02Å; E110-F168 WeakPolarHBondContact O-CE2 3.3Å
111V97.4Very high93.9Very high1 Ų161.1 Ų61.11%0.00634%0.342CS..EExtended strand (participates in β ladder)trans-125.6148.9-179.7-57.50000110.5K102 A103 D105 T166 F168 I177K102-V111 WeakPolarHBondContact CA-O 3.5Å; A103-V111 HydrophobicContact CB-CG2 4.49Å; A103-V111 PolarHBondContact N-O 3.47Å; A103-V111 WeakPolarHBondContact O-CG2 3.5Å; A103-V111 PolarHBondContact O-N 2.96Å; D105-V111 HydrophobicContact CB-CG1 3.88Å; D105-V111 HydrophobicContact CB-CG2 4.39Å; V111-T166 HydrophobicContact CG2-CG2 3.87Å; V111-F168 HydrophobicContact CB-CB 4.4Å; V111-F168 HydrophobicContact CG1-CB 3.89Å; V111-F168 HydrophobicContact CG1-CD2 3.85Å; V111-F168 HydrophobicContact CG1-CG 4.01Å; V111-I177 HydrophobicContact CG2-CG2 3.77Å
112T97.1Very high93.7Very high73 Ų7360.1 Ų60.145%0.44834%0.336SS..EExtended strand (participates in β ladder)trans-88.5124.9178.6-53.10000109.4T101 T166 S167T101-T112 CarbonylContact O-C 3.57Å; T101-T112 WeakPolarHBondContact O-CA 3.43Å; T101-T112 WeakPolarHBondContact O-CG2 3.41Å; T112-T166 CarbonylContact O-C 3.56Å; T112-T166 WeakPolarHBondContact O-CA 3.29Å; T112-T166 WeakPolarHBondContact O-CB 3.36Å; T112-S167 PolarHBondContact N-O 3.02Å; T112-S167 PolarHBondContact O-N 3.15Å
113V96.3Very high93.4Very high3 Ų358.4 Ų58.42%0.01833%0.331CS..EExtended strand (participates in β ladder)trans-80.6130.3172.4179.30000108.3K100 T101 A103 F128 T166 I177K100-V113 HydrophobicContact CG-CG2 4.43Å; K100-V113 WeakPolarHBondContact O-CB 3.47Å; K100-V113 WeakPolarHBondContact O-CG1 3.46Å; T101-V113 PolarHBondContact O-N 3.35Å; A103-V113 HydrophobicContact CB-CG2 3.91Å; V113-F128 HydrophobicContact CG1-CE2 3.8Å; V113-F128 HydrophobicContact CG1-CZ 3.82Å; V113-T166 HydrophobicContact CG2-CG2 4.4Å; V113-I177 HydrophobicContact CG2-CD1 3.99Å
114L93.3Very high93.2Very high19 Ų1960.9 Ų60.910%0.09934%0.341CS..PPolyproline II helixtrans-70.7128.2-178.4-68.7171.5000110.7P39 V117 Q126 L165 V172P39-L114 HydrophobicContact CG-CD1 3.78Å; P39-L114 HydrophobicContact CG-CD2 4.25Å; L114-V117 HydrophobicContact CB-CG2 4.34Å; L114-Q126 PolarHBondContact O-NE2 2.98Å; L114-L165 HydrophobicContact CD1-CB 4.37Å; L114-L165 HydrophobicContact CD1-CD2 3.55Å; L114-L165 HydrophobicContact CD1-CG 3.74Å; L114-L165 PolarHBondContact N-O 2.68Å; L114-V172 HydrophobicContact CD1-CG1 3.58Å; L114-V172 HydrophobicContact CD1-CG2 4.13Å; L114-V172 HydrophobicContact CD2-CG2 4.46Å
115P89.7Confident93Very high73 Ų7360.3 Ų60.347%0.47433%0.334SS..SBendtrans-69.1-37.8-176.526.6-33.7000112
116Y91.3Very high92.8Very high110 Ų11059.8 Ų59.843%0.43133%0.331SS..  trans-138.7149.9177.3-62.6-82.2000110.2N123 K124Y116-N123 HydrophobicContact CD1-CB 4.42Å; Y116-K124 CarbonylContact C-O 3.57Å; Y116-K124 WeakPolarHBondContact CA-O 2.98Å
117V90.8Very high92.7Very high0 Ų056.3 Ų56.30%031%0.311CS..EExtended strand (participates in β ladder)trans-133.5128.2175.4-172.80000107.6V41 F58 L114 I119 K124 L165V41-V117 HydrophobicContact CB-CG1 3.86Å; V41-V117 HydrophobicContact CG2-CG1 3.32Å; F58-V117 HydrophobicContact CE1-CG2 4.46Å; L114-V117 HydrophobicContact CB-CG2 4.34Å; V117-I119 HydrophobicContact CG1-CD1 4.26Å; V117-I119 HydrophobicContact CG1-CG1 3.98Å; V117-K124 PolarHBondContact N-O 2.92Å; V117-K124 PolarHBondContact O-N 3.27Å; V117-L165 HydrophobicContact CB-CD2 4.38Å; V117-L165 HydrophobicContact CG1-CD2 3.74Å; V117-L165 HydrophobicContact CG2-CD2 3.64Å
118N90.4Very high92.7Very high26 Ų2652.4 Ų52.414%0.13928%0.284CS..EExtended strand (participates in β ladder)trans-85.2118.3175.9-173.1-39000109.3I38 P39 V41 N121I38-N118 HydrophobicContact CG2-CB 4.02Å; P39-N118 PolarHBondContact O-N 3.09Å; V41-N118 PolarHBondContact N-O 3.04Å; N118-N121 WeakPolarHBondContact OD1-CA 3.16Å; N118-N121 PolarHBondContact OD1-N 2.81Å; N118-N121 VanDerWaalsContact OD1-N 3.09Å
119I86.8Confident92.6Very high6 Ų650.8 Ų50.83%0.03126%0.262CS..EExtended strand (participates in β ladder)trans-129.7121.1178.7-57.1162.6000107.4P43 F46 F58 V117 N121 V122 K124P43-I119 HydrophobicContact CB-CG2 4.3Å; P43-I119 HydrophobicContact CG-CG2 4.4Å; F46-I119 HydrophobicContact CD1-CD1 4.35Å; F46-I119 HydrophobicContact CD2-CD1 3.98Å; F46-I119 HydrophobicContact CD2-CG1 4.31Å; F46-I119 HydrophobicContact CD2-CG2 4.25Å; F46-I119 HydrophobicContact CE1-CD1 3.78Å; F46-I119 HydrophobicContact CE2-CD1 3.36Å; F46-I119 HydrophobicContact CE2-CG1 3.63Å; F46-I119 HydrophobicContact CE2-CG2 4.37Å; F46-I119 HydrophobicContact CG-CD1 4.44Å; F46-I119 HydrophobicContact CZ-CD1 3.25Å; F46-I119 HydrophobicContact CZ-CG1 3.97Å; F58-I119 HydrophobicContact CD1-CD1 4.24Å; V117-I119 HydrophobicContact CG1-CD1 4.26Å; V117-I119 HydrophobicContact CG1-CG1 3.98Å; I119-N121 VanDerWaalsContact C-N 3.27Å; I119-N121 PolarHBondContact O-N 3.34Å; I119-V122 PolarHBondContact N-O 3.16Å; I119-V122 PolarHBondContact O-N 2.71Å; I119-K124 HydrophobicContact CB-CD 4.48Å; I119-K124 HydrophobicContact CD1-CB 4.24Å; I119-K124 HydrophobicContact CD1-CD 3.96Å; I119-K124 HydrophobicContact CD1-CG 4.23Å
120N85.7Confident92.6Very high117 Ų11748.1 Ų48.163%0.62625%0.247SC*.THydrogen-bonded Turntrans52.742.4-176.2-66.5-35.7000113P43 V122P43-N120 WeakPolarHBondContact CB-OD1 3.45Å; P43-N120 WeakPolarHBondContact CG-OD1 3.33Å; N120-V122 PolarHBondContact O-N 2.83Å; N120-V122 VanDerWaalsContact O-N 3.16Å
121N87.1Confident92.4Very high150 Ų15042.7 Ų42.780%0.80222%0.222SC*.THydrogen-bonded Turntrans65.212.2-177.9-125.559000114.9N118 I119N118-N121 WeakPolarHBondContact OD1-CA 3.16Å; N118-N121 PolarHBondContact OD1-N 2.81Å; N118-N121 VanDerWaalsContact OD1-N 3.09Å; I119-N121 VanDerWaalsContact C-N 3.27Å; I119-N121 PolarHBondContact O-N 3.34Å
122V89.6Confident92.3Very high70 Ų7045.1 Ų45.142%0.42424%0.237SC..EExtended strand (participates in β ladder)trans-114.4127.3176.4-179.50000109.1A60 I119 N120 K124A60-V122 HydrophobicContact CB-CG1 4.12Å; I119-V122 PolarHBondContact N-O 3.16Å; I119-V122 PolarHBondContact O-N 2.71Å; N120-V122 PolarHBondContact O-N 2.83Å; N120-V122 VanDerWaalsContact O-N 3.16Å; V122-K124 HydrophobicContact CG1-CG 4.38Å; V122-K124 PolarHBondContact O-N 3.01Å
123N91.4Very high92.1Very high74 Ų7442.5 Ų42.540%0.39622%0.222SC..EExtended strand (participates in β ladder)trans-74117.6173.1-66-27.2000109.5I38 Y116I38-N123 WeakPolarHBondContact CD1-ND2 3.38Å; Y116-N123 HydrophobicContact CD1-CB 4.42Å
124K91.5Very high91.8Very high62 Ų6246 Ų4627%0.2724%0.238SC..EExtended strand (participates in β ladder)trans-112.3145.6175.7-55.9-158.5-173.9-174.20110.4F58 Y116 V117 I119 V122F58-K124 HydrophobicContact CB-CD 4.43Å; Y116-K124 CarbonylContact C-O 3.57Å; Y116-K124 WeakPolarHBondContact CA-O 2.98Å; V117-K124 PolarHBondContact N-O 2.92Å; V117-K124 PolarHBondContact O-N 3.27Å; I119-K124 HydrophobicContact CB-CD 4.48Å; I119-K124 HydrophobicContact CD1-CB 4.24Å; I119-K124 HydrophobicContact CD1-CD 3.96Å; I119-K124 HydrophobicContact CD1-CG 4.23Å; V122-K124 HydrophobicContact CG1-CG 4.38Å; V122-K124 PolarHBondContact O-N 3.01Å
125K93.6Very high91.2Very high41 Ų4149.8 Ų49.818%0.17826%0.261CS..EExtended strand (participates in β ladder)trans-100.7153.6171.8-175.8172.1-121.1-156.60110.2F58 S59 G98 Y127F58-K125 WeakPolarHBondContact CA-O 3.41Å; S59-K125 PolarHBondContact N-O 2.85Å; S59-K125 VanDerWaalsContact N-O 3.08Å; S59-K125 PolarHBondContact O-N 2.94Å; G98-K125 VanDerWaalsContact C-NZ 3.29Å; G98-K125 WeakPolarHBondContact O-CD 3.34Å; G98-K125 WeakPolarHBondContact O-CE 3.45Å; G98-K125 PolarHBondContact O-NZ 3.01Å; K125-Y127 HydrophobicContact CB-CD2 4.45Å; K125-Y127 HydrophobicContact CB-CE2 3.83Å; K125-Y127 HydrophobicContact CD-CE1 4.23Å; K125-Y127 HydrophobicContact CD-CE2 4.42Å; K125-Y127 HydrophobicContact CG-CE2 4.21Å
126Q93.6Very high90.3Very high3 Ų348 Ų481%0.01425%0.25CC..EExtended strand (participates in β ladder)trans-91.4114.2171-64.7-179.595.100109.3F58 L114 F128 L165F58-Q126 HydrophobicContact CD1-CG 3.77Å; F58-Q126 HydrophobicContact CE1-CG 3.28Å; F58-Q126 HydrophobicContact CE2-CG 4.44Å; F58-Q126 HydrophobicContact CZ-CG 3.66Å; F58-Q126 VanDerWaalsContact CZ-OE1 3.24Å; L114-Q126 PolarHBondContact O-NE2 2.98Å; Q126-F128 HydrophobicContact CB-CE2 3.7Å; Q126-F128 HydrophobicContact CB-CZ 3.71Å; Q126-F128 WeakPolarHBondContact O-CE2 3.47Å; Q126-L165 PolarHBondContact NE2-O 2.94Å
127Y94.6Very high89.2Confident24 Ų2449.6 Ų49.69%0.09427%0.273CS..EExtended strand (participates in β ladder)trans-99.9130.2173-65.8-88.1000109.6V56 L57 P62 P63 V97 K125V56-Y127 CarbonylContact C-O 3.56Å; V56-Y127 VanDerWaalsContact CA-O 3.29Å; V56-Y127 WeakPolarHBondContact CA-O 3.38Å; L57-Y127 PolarHBondContact N-O 2.97Å; L57-Y127 PolarHBondContact O-N 2.98Å; P62-Y127 WeakPolarHBondContact CA-OH 3.29Å; P62-Y127 HydrophobicContact CB-CE1 3.97Å; P63-Y127 HydrophobicContact CG-CD1 4.35Å; P63-Y127 HydrophobicContact CG-CG 4.21Å; V97-Y127 WeakPolarHBondContact O-CA 3.4Å; K125-Y127 HydrophobicContact CB-CD2 4.45Å; K125-Y127 HydrophobicContact CB-CE2 3.83Å; K125-Y127 HydrophobicContact CD-CE1 4.23Å; K125-Y127 HydrophobicContact CD-CE2 4.42Å; K125-Y127 HydrophobicContact CG-CE2 4.21Å
128F95.7Very high88Confident1 Ų154.7 Ų54.70%0.00431%0.309CS..EExtended strand (participates in β ladder)trans-109.6124.2-179.7-59.1-84.8000109.4R55 V56 W96 V97 K100 V113 Q126 E130 V162 A164 I177 I179R55-F128 CarbonylContact O-C 3.44Å; R55-F128 WeakPolarHBondContact O-CA 3.29Å; V56-F128 HydrophobicContact CB-CE1 4.48Å; V56-F128 HydrophobicContact CG1-CD1 4.2Å; V56-F128 HydrophobicContact CG1-CE1 3.83Å; V56-F128 HydrophobicContact CG1-CZ 4.41Å; V56-F128 HydrophobicContact CG2-CD1 3.72Å; V56-F128 HydrophobicContact CG2-CE1 3.82Å; W96-F128 CarbonylContact C-O 3.56Å; W96-F128 WeakPolarHBondContact CA-O 3.37Å; V97-F128 PolarHBondContact N-O 2.85Å; V97-F128 PolarHBondContact O-N 2.8Å; K100-F128 HydrophobicContact CB-CD2 3.89Å; K100-F128 HydrophobicContact CB-CE2 4.06Å; K100-F128 HydrophobicContact CD-CD2 3.82Å; K100-F128 HydrophobicContact CD-CE2 4.12Å; K100-F128 HydrophobicContact CD-CG 4.14Å; K100-F128 HydrophobicContact CG-CD2 4.48Å; V113-F128 HydrophobicContact CG1-CE2 3.8Å; V113-F128 HydrophobicContact CG1-CZ 3.82Å; Q126-F128 HydrophobicContact CB-CE2 3.7Å; Q126-F128 HydrophobicContact CB-CZ 3.71Å; Q126-F128 WeakPolarHBondContact O-CE2 3.47Å; F128-E130 HydrophobicContact CB-CG 4.11Å; F128-E130 PolarHBondContact O-N 2.82Å; F128-E130 VanDerWaalsContact O-N 3.15Å; F128-V162 HydrophobicContact CD1-CG2 4.2Å; F128-V162 HydrophobicContact CE1-CG2 4.37Å; F128-A164 HydrophobicContact CE1-CB 3.81Å; F128-A164 HydrophobicContact CZ-CB 3.97Å; F128-I177 HydrophobicContact CD1-CD1 4.36Å; F128-I177 HydrophobicContact CE1-CD1 3.65Å; F128-I177 HydrophobicContact CZ-CD1 3.95Å; F128-I179 HydrophobicContact CD1-CG2 4.13Å
129F95.1Very high86.6Confident20 Ų2056.1 Ų56.19%0.08833%0.33CS..EExtended strand (participates in β ladder)trans-83.391.9174.6-168.8-110.4000109.7R55 P67 W96R55-F129 HydrophobicContact CB-CB 4.22Å; R55-F129 HydrophobicContact CG-CB 4.43Å; R55-F129 PolarHBondContact NH1-O 3.33Å; R55-F129 VanDerWaalsContact NH1-O 3.12Å; R55-F129 PolarHBondContact O-N 2.78Å; P67-F129 VanDerWaalsContact CD-CE2 3.47Å; P67-F129 VanDerWaalsContact CD-CZ 3.42Å; P67-F129 HydrophobicContact CG-CD1 3.92Å; P67-F129 HydrophobicContact CG-CD2 4.25Å; P67-F129 HydrophobicContact CG-CE1 3.7Å; P67-F129 HydrophobicContact CG-CE2 4.05Å; P67-F129 HydrophobicContact CG-CG 4.18Å; P67-F129 HydrophobicContact CG-CZ 3.74Å; W96-F129 HydrophobicContact CD2-CB 4.07Å; W96-F129 AromaticContact CD2-CD2 3.79Å; W96-F129 HydrophobicContact CD2-CD2 3.79Å; W96-F129 HydrophobicContact CD2-CG 4.4Å; W96-F129 AromaticContact CE2-CD2 3.74Å; W96-F129 HydrophobicContact CE3-CB 3.77Å; W96-F129 HydrophobicContact CE3-CD2 4.36Å; W96-F129 HydrophobicContact CG-CD2 4.01Å; W96-F129 HydrophobicContact CH2-CB 3.98Å; W96-F129 HydrophobicContact CZ2-CB 4.27Å; W96-F129 HydrophobicContact CZ2-CD2 4.3Å; W96-F129 HydrophobicContact CZ3-CB 3.71Å; W96-F129 AromaticContact NE1-CD2 3.84Å
130E95.4Very high85.5Confident15 Ų1557.8 Ų57.87%0.0735%0.348CS..EExtended strand (participates in β ladder)trans-97.2140.2-178.5-62.5-156.4-156.700111S94 V95 V97 K100 F128 I179 N180S94-E130 CarbonylContact C-O 3.55Å; S94-E130 VanDerWaalsContact CA-O 3.28Å; S94-E130 WeakPolarHBondContact CA-O 3.48Å; V95-E130 PolarHBondContact N-O 3.08Å; V95-E130 PolarHBondContact O-N 2.88Å; V97-E130 HydrophobicContact CB-CG 4.49Å; V97-E130 HydrophobicContact CG2-CB 3.97Å; V97-E130 HydrophobicContact CG2-CG 4.01Å; K100-E130 WeakPolarHBondContact CD-OE1 3.32Å; K100-E130 WeakPolarHBondContact CE-OE1 2.84Å; K100-E130 IonicContact NZ-OE1 3.37Å; K100-E130 PolarHBondContact NZ-OE1 3.16Å; K100-E130 IonicContact NZ-OE2 2.81Å; F128-E130 HydrophobicContact CB-CG 4.11Å; F128-E130 PolarHBondContact O-N 2.82Å; F128-E130 VanDerWaalsContact O-N 3.15Å; E130-I179 HydrophobicContact CG-CB 4.2Å; E130-N180 WeakPolarHBondContact CA-O 3.44Å; E130-N180 PolarHBondContact OE2-ND2 2.89Å
131T94.9Very high84.7Confident9 Ų955 Ų556%0.05534%0.338CS..EExtended strand (participates in β ladder)trans-120.6120.8174-53.60000109.1V93 S94 N180 V181V93-T131 CarbonylContact O-C 3.58Å; V93-T131 WeakPolarHBondContact O-CA 3.36Å; S94-T131 WeakPolarHBondContact OG-CB 3.39Å; S94-T131 WeakPolarHBondContact OG-CG2 3.47Å; S94-T131 PolarHBondContact OG-OG1 3.45Å; T131-N180 PolarHBondContact N-O 3.22Å; T131-N180 CarbonylContact O-C 3.54Å; T131-N180 VanDerWaalsContact O-CB 3.29Å; T131-N180 WeakPolarHBondContact O-CB 2.89Å; T131-V181 WeakPolarHBondContact CB-O 3.28Å; T131-V181 PolarHBondContact OG1-O 3.23Å
132T94.7Very high84.7Confident51 Ų5152.5 Ų52.531%0.31332%0.317SS..EExtended strand (participates in β ladder)trans-120.4154.3-17855.40000111.9S92 V93 H134 N157 N180S92-T132 CarbonylContact C-O 3.53Å; S92-T132 VanDerWaalsContact CA-O 3.24Å; S92-T132 WeakPolarHBondContact CA-O 3.47Å; V93-T132 PolarHBondContact N-O 2.8Å; V93-T132 PolarHBondContact O-N 3.44Å; T132-H134 PolarHBondContact O-N 3.27Å; T132-N157 VanDerWaalsContact CA-OD1 3.3Å; T132-N157 WeakPolarHBondContact CA-OD1 3.46Å; T132-N180 HydrophobicContact CG2-CB 3.94Å
133C93.3Very high84.9Confident19 Ų1949.4 Ų49.413%0.12830%0.299CS..EExtended strand (participates in β ladder)trans-60.6130.8168.6-64.80000110.6T156 N157 C183C133-T156 PolarHBondContact SG-O 2.89Å; C133-T156 VanDerWaalsContact SG-O 3.36Å; C133-N157 PolarHBondContact N-OD1 3.15Å; C133-N157 PolarHBondContact SG-OD1 2.82Å; C133-N157 VanDerWaalsContact SG-OD1 3.37Å; C133-C183 WeakPolarHBondContact CA-SG 3.18Å; C133-C183 HydrophobicContact CB-CB 3.89Å; C133-C183 WeakPolarHBondContact CB-SG 3.43Å; C133-C183 VanDerWaalsContact SG-CA 3.55Å; C133-C183 WeakPolarHBondContact SG-CB 3.46Å; C133-C183 CovalentContact SG-SG 2.02Å; C133-C183 PolarHBondContact SG-SG 3.09Å
134H88.9Confident84.9Confident77 Ų7751.2 Ų51.236%0.35631%0.308SS..  trans-76.7124.8166.1-175.1-110.1000108E91 V93 T132E91-H134 HydrophobicContact CB-CB 3.89Å; E91-H134 HydrophobicContact CG-CB 3.68Å; E91-H134 PolarHBondContact O-N 2.85Å; E91-H134 IonicContact OE1-ND1 3.78Å; E91-H134 IonicContact OE2-CE1 3.54Å; E91-H134 IonicContact OE2-CG 3.63Å; E91-H134 IonicContact OE2-ND1 2.75Å; E91-H134 PolarHBondContact OE2-ND1 3.37Å; V93-H134 HydrophobicContact CG2-CB 4.06Å; T132-H134 PolarHBondContact O-N 3.27Å
135V80.3Confident84.9Confident97 Ų9752.5 Ų52.559%0.58834%0.339SS*.  trans-109.7109.6175-177.70000106.9
136P71.6Confident85Confident37 Ų3752.8 Ų52.824%0.2434%0.342CS..  trans-64.7151.4179.120.7-26.5000110.6S138 G139P136-S138 PolarHBondContact O-N 3.16Å; P136-G139 PolarHBondContact O-N 2.8Å
137P67.8Low85Confident142 Ų14256 Ų5692%0.92236%0.36SS*.THydrogen-bonded Turntrans-56.5-24.1-179.2-2432.2000114G139P137-G139 PolarHBondContact O-N 3.44Å
138S65.8Low84.8Confident108 Ų10857 Ų5776%0.75537%0.372SS*.THydrogen-bonded Turntrans-71.91.417554.20000114.2P136 G140P136-S138 PolarHBondContact O-N 3.16Å; S138-G140 PolarHBondContact O-N 2.86Å
139G60.8Low84.6Confident56 Ų5666.9 Ų66.958%0.57741%0.41SS*.  trans72.89.8171.300000114.8P136 P137 S141P136-G139 PolarHBondContact O-N 2.8Å; P137-G139 PolarHBondContact O-N 3.44Å; G139-S141 PolarHBondContact O-N 3.32Å; G139-S141 VanDerWaalsContact O-N 3.07Å
140G63.6Low84.5Confident40 Ų4069.8 Ų69.841%0.41242%0.423SS..  trans-75.693.6178.700000111.9S138 R142S138-G140 PolarHBondContact O-N 2.86Å; G140-R142 PolarHBondContact O-N 2.92Å
141S70.4Confident84.4Confident59 Ų5973.7 Ų73.741%0.41344%0.437SS..  trans-82.52.9169.464.60000113.2G139 H154 C155G139-S141 PolarHBondContact O-N 3.32Å; G139-S141 VanDerWaalsContact O-N 3.07Å; S141-H154 CarbonylContact O-C 3.45Å; S141-H154 WeakPolarHBondContact O-CA 3.49Å; S141-C155 PolarHBondContact O-N 2.76Å
142R87.1Confident84.3Confident97 Ų9776.5 Ų76.537%0.36645%0.452SS..PPolyproline II helixtrans-75137-172.5-163179.6179.385.424.8111.4G140 A148 W151 S153G140-R142 PolarHBondContact O-N 2.92Å; R142-A148 VanDerWaalsContact CZ-CB 3.45Å; R142-W151 PolarHBondContact NH2-O 2.02Å; R142-S153 VanDerWaalsContact CG-OG 3.28Å; R142-S153 WeakPolarHBondContact CG-OG 3.21Å
143C92.8Very high84.2Confident5 Ų574.6 Ų74.63%0.03444%0.441CS..PPolyproline II helixtrans-67.4133.2177-60.50000112.6V89 I146 S153 C185V89-C143 HydrophobicContact CG1-CB 3.4Å; C143-I146 HydrophobicContact CB-CB 4.33Å; C143-I146 HydrophobicContact CB-CG1 3.45Å; C143-I146 VanDerWaalsContact CB-CG1 3.45Å; C143-S153 PolarHBondContact N-OG 3.37Å; C143-C185 HydrophobicContact CB-CB 3.94Å; C143-C185 WeakPolarHBondContact CB-SG 3.24Å; C143-C185 WeakPolarHBondContact SG-CA 2.99Å; C143-C185 WeakPolarHBondContact SG-CB 3.37Å; C143-C185 CovalentContact SG-SG 2.01Å; C143-C185 PolarHBondContact SG-SG 2.76Å
144L91.4Very high84.2Confident112 Ų11277.7 Ų77.759%0.58645%0.453SS*.THydrogen-bonded Turntrans-71142.7177.4-59.7177.5000111.8V89 I146V89-L144 WeakPolarHBondContact CG1-O 3.36Å; V89-L144 PolarHBondContact O-N 2.83Å; L144-I146 PolarHBondContact O-N 3.19Å
145G92.2Very high84.5Confident90 Ų9075.3 Ų75.393%0.92845%0.445SS*.THydrogen-bonded Turntrans72.55.417700000115.6
146I94.5Very high85.2Confident46 Ų4673.3 Ų73.324%0.23643%0.433CS..  trans-87.6133.7175.9-58.4-55.8000110.7V89 C143 L144 A148 W151 L187V89-I146 HydrophobicContact CG1-CD1 4.47Å; V89-I146 HydrophobicContact CG1-CG1 4.31Å; C143-I146 HydrophobicContact CB-CB 4.33Å; C143-I146 HydrophobicContact CB-CG1 3.45Å; C143-I146 VanDerWaalsContact CB-CG1 3.45Å; L144-I146 PolarHBondContact O-N 3.19Å; I146-A148 PolarHBondContact O-N 3.12Å; I146-W151 HydrophobicContact CG2-CB 3.98Å; I146-L187 HydrophobicContact CB-CD2 4.48Å; I146-L187 HydrophobicContact CD1-CD2 4.16Å; I146-L187 HydrophobicContact CG1-CD2 4.04Å; I146-L187 HydrophobicContact CG2-CD2 3.67Å
147D93.8Very high86.3Confident72 Ų7273.8 Ų73.839%0.38543%0.434SS..  trans-61.5105.5174.4178.38.9000111.7R149 H150 W151D147-R149 VanDerWaalsContact C-N 3.27Å; D147-R149 PolarHBondContact O-N 3.46Å; D147-R149 VanDerWaalsContact OD1-CB 3.32Å; D147-R149 WeakPolarHBondContact OD1-CB 3.39Å; D147-R149 PolarHBondContact OD1-N 3.4Å; D147-H150 IonicContact OD1-ND1 3.52Å; D147-H150 IonicContact OD2-CE1 3.9Å; D147-H150 IonicContact OD2-CG 2.65Å; D147-H150 IonicContact OD2-ND1 2.71Å; D147-H150 PolarHBondContact OD2-ND1 3.36Å; D147-W151 WeakPolarHBondContact O-CB 3.48Å; D147-W151 PolarHBondContact O-N 2.88Å; D147-W151 VanDerWaalsContact O-N 3.15Å
148A91.2Very high87.6Confident43 Ų4368.6 Ų68.636%0.35540%0.4SS..THydrogen-bonded Turntrans-76.5-10.3-176.700000115.1R142 I146 K190R142-A148 VanDerWaalsContact CZ-CB 3.45Å; I146-A148 PolarHBondContact O-N 3.12Å; A148-K190 PolarHBondContact O-NZ 2.75Å
149R91.3Very high89.1Confident210 Ų21067.8 Ų67.879%0.79239%0.385SS*.THydrogen-bonded Turntrans-72.1-43.5177-62.9178.3179.5-105.30.5110.6D147 K190D147-R149 VanDerWaalsContact C-N 3.27Å; D147-R149 PolarHBondContact O-N 3.46Å; D147-R149 VanDerWaalsContact OD1-CB 3.32Å; D147-R149 WeakPolarHBondContact OD1-CB 3.39Å; D147-R149 PolarHBondContact OD1-N 3.4Å; R149-K190 WeakPolarHBondContact O-CD 3.42Å
150H92Very high90.8Very high80 Ų8067.7 Ų67.737%0.3737%0.373SS..THydrogen-bonded Turntrans-103.3-20.8-173.4-54.8105.4000114D147 K190 W192D147-H150 IonicContact OD1-ND1 3.52Å; D147-H150 IonicContact OD2-CE1 3.9Å; D147-H150 IonicContact OD2-CG 2.65Å; D147-H150 IonicContact OD2-ND1 2.71Å; D147-H150 PolarHBondContact OD2-ND1 3.36Å; H150-K190 PolarHBondContact O-N 3.12Å; H150-W192 AromaticContact CD2-CZ2 4Å
151W94Very high92.4Very high98 Ų9869.3 Ų69.337%0.37137%0.369SS..EExtended strand (participates in β ladder)trans-122.3139.2-173.5-5793.8000112.8R142 I146 D147 L187 R189R142-W151 PolarHBondContact NH2-O 2.02Å; I146-W151 HydrophobicContact CG2-CB 3.98Å; D147-W151 WeakPolarHBondContact O-CB 3.48Å; D147-W151 PolarHBondContact O-N 2.88Å; D147-W151 VanDerWaalsContact O-N 3.15Å; W151-L187 HydrophobicContact CE3-CB 4.02Å; W151-R189 HydrophobicContact CE3-CB 4.12Å; W151-R189 HydrophobicContact CH2-CB 4.35Å; W151-R189 HydrophobicContact CZ3-CB 3.78Å; W151-R189 HydrophobicContact CZ3-CG 4.35Å
152N92.4Very high93.5Very high67 Ų6767 Ų6736%0.35835%0.352SS..EExtended strand (participates in β ladder)trans-86139.1155-66.4-42.4000107.6L187 S188 K190N152-L187 CarbonylContact O-C 3.56Å; N152-L187 WeakPolarHBondContact O-CA 3.42Å; N152-S188 WeakPolarHBondContact CB-OG 3.32Å; N152-S188 PolarHBondContact N-O 2.77Å; N152-S188 PolarHBondContact O-N 2.96Å; N152-K190 WeakPolarHBondContact OD1-CE 3.24Å
153S93.9Very high93.9Very high11 Ų1166.5 Ų66.58%0.07735%0.35CS..EExtended strand (participates in β ladder)trans-142.4140.3-178.164.50000110.7R142 C143 V186 L187R142-S153 VanDerWaalsContact CG-OG 3.28Å; R142-S153 WeakPolarHBondContact CG-OG 3.21Å; C143-S153 PolarHBondContact N-OG 3.37Å; S153-V186 VanDerWaalsContact CA-O 3.29Å; S153-V186 WeakPolarHBondContact CA-O 3.19Å; S153-L187 VanDerWaalsContact CB-CD2 3.44Å
154H93.1Very high94Very high85 Ų8566.2 Ų66.239%0.39435%0.348SS..EExtended strand (participates in β ladder)trans-147.2149171.567.6-77.3000111.8S141 V186S141-H154 CarbonylContact O-C 3.45Å; S141-H154 WeakPolarHBondContact O-CA 3.49Å; H154-V186 PolarHBondContact N-O 2.75Å; H154-V186 PolarHBondContact O-N 3.45Å
155C94Very high94.1Very high27 Ų2761.1 Ų61.118%0.18232%0.321CS..EExtended strand (participates in β ladder)trans-84.1131.7175-63.20000110.2C90 S141 V184C90-C155 VanDerWaalsContact CA-SG 3.59Å; C90-C155 HydrophobicContact CB-CB 3.77Å; C90-C155 WeakPolarHBondContact CB-SG 3.29Å; C90-C155 VanDerWaalsContact SG-CA 3.57Å; C90-C155 WeakPolarHBondContact SG-CB 3.29Å; C90-C155 CovalentContact SG-SG 2.03Å; C90-C155 PolarHBondContact SG-SG 2.88Å; S141-C155 PolarHBondContact O-N 2.76Å; C155-V184 WeakPolarHBondContact CA-O 3.39Å
156T94.6Very high94.2Very high55 Ų5556.8 Ų56.834%0.33728%0.277SS..EExtended strand (participates in β ladder)trans-136.2154.5178-167.40000111.6C133 V184 V186C133-T156 PolarHBondContact SG-O 2.89Å; C133-T156 VanDerWaalsContact SG-O 3.36Å; T156-V184 HydrophobicContact CG2-CG2 3.94Å; T156-V184 PolarHBondContact N-O 3.04Å; T156-V184 PolarHBondContact O-N 2.88Å; T156-V186 HydrophobicContact CG2-CG2 3.54Å
157N95.5Very high94.3Very high47 Ų4755.8 Ų55.825%0.25127%0.274SS..EExtended strand (participates in β ladder)trans-75.3129.2175.7-67.1-36.9000109.7T132 C133T132-N157 VanDerWaalsContact CA-OD1 3.3Å; T132-N157 WeakPolarHBondContact CA-OD1 3.46Å; C133-N157 PolarHBondContact N-OD1 3.15Å; C133-N157 PolarHBondContact SG-OD1 2.82Å; C133-N157 VanDerWaalsContact SG-OD1 3.37Å
158S96.2Very high94.3Very high32 Ų3254.9 Ų54.922%0.22427%0.267CS..EExtended strand (participates in β ladder)trans-87153.4162.663.70000109.6N180 V181 A182S158-N180 WeakPolarHBondContact O-CA 3.36Å; S158-V181 PolarHBondContact O-N 2.77Å; S158-V181 VanDerWaalsContact OG-CG1 3.29Å; S158-V181 WeakPolarHBondContact OG-CG1 2.98Å; S158-A182 PolarHBondContact N-O 3Å; S158-A182 WeakPolarHBondContact OG-CB 3.02Å; S158-A182 PolarHBondContact OG-N 2.97Å; S158-A182 PolarHBondContact OG-O 3.19Å
159H96.7Very high94.4Very high92 Ų9260.8 Ų60.843%0.42628%0.284SS..EExtended strand (participates in β ladder)trans-122.1155.9-178.5-48.2-74.1000112R178 I179 N180H159-R178 HydrophobicContact CB-CG 3.54Å; H159-I179 WeakPolarHBondContact CA-O 3.37Å; H159-I179 WeakPolarHBondContact CB-O 2.82Å; H159-N180 PolarHBondContact CE1-OD1 2.65Å; H159-N180 PolarHBondContact ND1-OD1 3.01Å
160T96.3Very high94.3Very high53 Ų5358 Ų5833%0.32529%0.285SS..EExtended strand (participates in β ladder)trans-134.3164.7167-166.80000110.1V162 R178 I179 V181T160-V162 HydrophobicContact CG2-CG1 4.14Å; T160-R178 WeakPolarHBondContact O-CA 3.49Å; T160-I179 HydrophobicContact CG2-CD1 4.29Å; T160-I179 HydrophobicContact CG2-CG1 3.86Å; T160-I179 PolarHBondContact N-O 2.69Å; T160-I179 PolarHBondContact O-N 3.39Å; T160-V181 HydrophobicContact CG2-CB 3.8Å; T160-V181 HydrophobicContact CG2-CG2 3.62Å
161F96Very high94.3Very high75 Ų7559.9 Ų59.933%0.32930%0.298SS..EExtended strand (participates in β ladder)trans-101.8124.9175.2-69.9-80.7000110.5I106 L176 I177 R178I106-F161 VanDerWaalsContact CA-CE1 3.47Å; I106-F161 HydrophobicContact CB-CD1 4.09Å; I106-F161 HydrophobicContact CB-CE1 4.02Å; I106-F161 HydrophobicContact CB-CZ 4.47Å; I106-F161 HydrophobicContact CG1-CD1 4.43Å; I106-F161 HydrophobicContact CG1-CE1 4.29Å; I106-F161 HydrophobicContact CG1-CE2 4.43Å; I106-F161 HydrophobicContact CG1-CZ 4.27Å; F161-L176 HydrophobicContact CB-CB 4.2Å; F161-L176 HydrophobicContact CB-CD2 4.28Å; F161-L176 WeakPolarHBondContact CD1-O 3.29Å; F161-I177 CarbonylContact C-O 3.46Å; F161-I177 VanDerWaalsContact CA-O 3.29Å; F161-I177 WeakPolarHBondContact CA-O 2.97Å; F161-R178 HydrophobicContact CD1-CB 4.28Å; F161-R178 HydrophobicContact CE1-CB 3.89Å
162V95.4Very high94.2Very high9 Ų958.5 Ų58.56%0.05530%0.3CS..EExtended strand (participates in β ladder)trans-118.2150.9177.4-63.60000110.8R55 V56 F128 T160 L176 I177 I179R55-V162 HydrophobicContact CB-CG1 4.22Å; V56-V162 HydrophobicContact CG2-CB 3.66Å; V56-V162 HydrophobicContact CG2-CG1 4.31Å; V56-V162 HydrophobicContact CG2-CG2 3.57Å; F128-V162 HydrophobicContact CD1-CG2 4.2Å; F128-V162 HydrophobicContact CE1-CG2 4.37Å; T160-V162 HydrophobicContact CG2-CG1 4.14Å; V162-L176 CarbonylContact O-C 3.58Å; V162-L176 WeakPolarHBondContact O-CA 3.49Å; V162-I177 HydrophobicContact CG2-CG1 3.88Å; V162-I177 PolarHBondContact N-O 2.87Å; V162-I177 PolarHBondContact O-N 2.85Å; V162-I179 HydrophobicContact CB-CD1 4.34Å; V162-I179 HydrophobicContact CG1-CD1 3.49Å; V162-I179 VanDerWaalsContact CG1-CD1 3.49Å; V162-I179 HydrophobicContact CG1-CG1 3.87Å; V162-I179 HydrophobicContact CG2-CD1 3.89Å; V162-I179 HydrophobicContact CG2-CG1 3.98Å; V162-I179 HydrophobicContact CG2-CG2 3.75Å
163R94.3Very high94.1Very high87 Ų8757 Ų5733%0.32830%0.297SS..EExtended strand (participates in β ladder)trans-78.2126.7175-68.6-175175.7-82.91.8110.4R50 S53 W174 R175 L176R50-R163 WeakPolarHBondContact O-CD 3.43Å; R50-R163 PolarHBondContact O-NE 3.18Å; S53-R163 WeakPolarHBondContact OG-CB 3.15Å; S53-R163 PolarHBondContact OG-N 3.12Å; S53-R163 PolarHBondContact OG-O 2.93Å; R163-W174 HydrophobicContact CB-CE3 4.23Å; R163-R175 WeakPolarHBondContact CA-O 3.46Å; R163-L176 HydrophobicContact CG-CD2 3.63Å; R163-L176 HydrophobicContact CG-CG 4.39Å
164A94.4Very high94Very high0 Ų058.6 Ų58.60%030%0.301CS..EExtended strand (participates in β ladder)trans-139.5155.6176.900000110.8F128 T166 W174 R175 I177F128-A164 HydrophobicContact CE1-CB 3.81Å; F128-A164 HydrophobicContact CZ-CB 3.97Å; A164-T166 HydrophobicContact CB-CG2 4.26Å; A164-W174 WeakPolarHBondContact O-CA 3.32Å; A164-R175 PolarHBondContact N-O 2.78Å; A164-R175 PolarHBondContact O-N 2.82Å; A164-I177 HydrophobicContact CB-CD1 3.47Å; A164-I177 VanDerWaalsContact CB-CD1 3.47Å; A164-I177 HydrophobicContact CB-CG1 3.72Å
165L93.8Very high94.1Very high4 Ų456.4 Ų56.42%0.02129%0.289CS..EExtended strand (participates in β ladder)trans-84.5118.5170.6-159.275.3000109.2V41 L114 V117 Q126 V172 W174V41-L165 HydrophobicContact CG2-CD2 3.72Å; L114-L165 HydrophobicContact CD1-CB 4.37Å; L114-L165 HydrophobicContact CD1-CD2 3.55Å; L114-L165 HydrophobicContact CD1-CG 3.74Å; L114-L165 PolarHBondContact N-O 2.68Å; V117-L165 HydrophobicContact CB-CD2 4.38Å; V117-L165 HydrophobicContact CG1-CD2 3.74Å; V117-L165 HydrophobicContact CG2-CD2 3.64Å; Q126-L165 PolarHBondContact NE2-O 2.94Å; L165-V172 HydrophobicContact CD1-CG1 4.04Å; L165-V172 HydrophobicContact CD2-CG1 4.05Å; L165-V172 HydrophobicContact CG-CG1 3.86Å; L165-W174 HydrophobicContact CD1-CD2 4.23Å; L165-W174 HydrophobicContact CD1-CG 4.29Å
166T95.4Very high94.2Very high0 Ų057.5 Ų57.50%029%0.293CS..EExtended strand (participates in β ladder)trans-133.8154.4-172.5580000110.8V111 T112 V113 A164 V172 A173 R175 I177V111-T166 HydrophobicContact CG2-CG2 3.87Å; T112-T166 CarbonylContact O-C 3.56Å; T112-T166 WeakPolarHBondContact O-CA 3.29Å; T112-T166 WeakPolarHBondContact O-CB 3.36Å; V113-T166 HydrophobicContact CG2-CG2 4.4Å; A164-T166 HydrophobicContact CB-CG2 4.26Å; T166-V172 CarbonylContact O-C 3.58Å; T166-V172 VanDerWaalsContact O-CA 3.29Å; T166-V172 WeakPolarHBondContact O-CA 3.32Å; T166-A173 PolarHBondContact N-O 2.76Å; T166-A173 PolarHBondContact O-N 2.73Å; T166-A173 PolarHBondContact OG1-O 3.41Å; T166-R175 PolarHBondContact O-NH1 3.14Å; T166-R175 WeakPolarHBondContact OG1-CB 3.28Å; T166-R175 WeakPolarHBondContact OG1-CD 3.46Å; T166-R175 WeakPolarHBondContact OG1-CG 3.21Å; T166-R175 PolarHBondContact OG1-NH1 2.88Å; T166-I177 HydrophobicContact CG2-CG2 3.68Å
167S95Very high94.3Very high25 Ų2554.9 Ų54.918%0.17528%0.277CS..EExtended strand (participates in β ladder)trans-106.1132.2168.4-174.90000109.9T112T112-S167 PolarHBondContact N-O 3.02Å; T112-S167 PolarHBondContact O-N 3.15Å
168F95.6Very high94.4Very high53 Ų5357.8 Ų57.823%0.23228%0.284CS..EExtended strand (participates in β ladder)trans-145127.3172-179.3-110.5000108.5N109 E110 V111 N170 L171N109-F168 HydrophobicContact CB-CE2 3.98Å; N109-F168 HydrophobicContact CB-CZ 3.93Å; E110-F168 VanDerWaalsContact O-CD2 3.29Å; E110-F168 WeakPolarHBondContact O-CD2 3.02Å; E110-F168 WeakPolarHBondContact O-CE2 3.3Å; V111-F168 HydrophobicContact CB-CB 4.4Å; V111-F168 HydrophobicContact CG1-CB 3.89Å; V111-F168 HydrophobicContact CG1-CD2 3.85Å; V111-F168 HydrophobicContact CG1-CG 4.01Å; F168-N170 VanDerWaalsContact C-N 3.26Å; F168-N170 PolarHBondContact O-N 2.01Å; F168-L171 PolarHBondContact N-O 2.87Å; F168-L171 VanDerWaalsContact N-O 3.12Å; F168-L171 WeakPolarHBondContact O-CB 3.36Å; F168-L171 PolarHBondContact O-N 2.89Å
169K93.4Very high94.5Very high166 Ų16656.3 Ų56.372%0.72227%0.274SS*.THydrogen-bonded Turntrans49.747.3-174.3-59.6-179.6177.2-176.90112.3L171K169-L171 PolarHBondContact O-N 3.2Å; K169-L171 VanDerWaalsContact O-N 3.08Å
170N89Confident94.5Very high151 Ų15153.4 Ų53.481%0.80726%0.262SS*.THydrogen-bonded Turntrans61.310.8-177.2-54.8-22000115.5F168F168-N170 VanDerWaalsContact C-N 3.26Å; F168-N170 PolarHBondContact O-N 2.01Å
171L91Very high94.5Very high121 Ų12152.3 Ų52.363%0.63426%0.255SS*.EExtended strand (participates in β ladder)trans-105.4113.3176.9-64.4174.9000111.1F168 K169 R175F168-L171 PolarHBondContact N-O 2.87Å; F168-L171 VanDerWaalsContact N-O 3.12Å; F168-L171 WeakPolarHBondContact O-CB 3.36Å; F168-L171 PolarHBondContact O-N 2.89Å; K169-L171 PolarHBondContact O-N 3.2Å; K169-L171 VanDerWaalsContact O-N 3.08Å; L171-R175 PolarHBondContact O-NH1 3.48Å; L171-R175 VanDerWaalsContact O-NH1 3.16Å; L171-R175 PolarHBondContact O-NH2 3.07Å
172V92.1Very high94.4Very high69 Ų6950.4 Ų50.442%0.41825%0.253SS..EExtended strand (participates in β ladder)trans-80.3120.6173176.40000109.9L114 L165 T166L114-V172 HydrophobicContact CD1-CG1 3.58Å; L114-V172 HydrophobicContact CD1-CG2 4.13Å; L114-V172 HydrophobicContact CD2-CG2 4.46Å; L165-V172 HydrophobicContact CD1-CG1 4.04Å; L165-V172 HydrophobicContact CD2-CG1 4.05Å; L165-V172 HydrophobicContact CG-CG1 3.86Å; T166-V172 CarbonylContact O-C 3.58Å; T166-V172 VanDerWaalsContact O-CA 3.29Å; T166-V172 WeakPolarHBondContact O-CA 3.32Å
173A91.5Very high94.4Very high36 Ų3650.9 Ų50.930%0.29826%0.257SS..EExtended strand (participates in β ladder)trans-152.7161.5178.600000112.3T166 R175T166-A173 PolarHBondContact N-O 2.76Å; T166-A173 PolarHBondContact O-N 2.73Å; T166-A173 PolarHBondContact OG1-O 3.41Å; A173-R175 PolarHBondContact O-N 2.03Å
174W91.7Very high94.5Very high43 Ų4349.7 Ų49.716%0.16326%0.259CS..EExtended strand (participates in β ladder)trans-71.7116.3167.4-72.396.1000109.8F46 H51 F58 R163 A164 L165F46-W174 HydrophobicContact CD1-CH2 4.17Å; F46-W174 HydrophobicContact CD1-CZ2 4.27Å; F46-W174 AromaticContact CE1-CH2 3.62Å; F46-W174 HydrophobicContact CE1-CH2 3.62Å; F46-W174 AromaticContact CE1-CZ2 3.72Å; F46-W174 HydrophobicContact CE1-CZ2 3.72Å; F46-W174 HydrophobicContact CE2-CZ2 4.49Å; F46-W174 HydrophobicContact CZ-CH2 4.16Å; F46-W174 AromaticContact CZ-CZ2 3.84Å; F46-W174 HydrophobicContact CZ-CZ2 3.84Å; H51-W174 HydrophobicContact CB-CD2 4.47Å; H51-W174 HydrophobicContact CB-CE3 4.47Å; H51-W174 HydrophobicContact CB-CH2 4.19Å; H51-W174 HydrophobicContact CB-CZ2 4.21Å; H51-W174 HydrophobicContact CB-CZ3 4.33Å; H51-W174 AromaticContact ND1-CD2 3.86Å; H51-W174 AromaticContact ND1-CG 3.83Å; F58-W174 HydrophobicContact CE1-CH2 4.44Å; F58-W174 AromaticContact CE2-CH2 3.73Å; F58-W174 HydrophobicContact CE2-CH2 3.73Å; F58-W174 HydrophobicContact CE2-CZ3 4.02Å; F58-W174 AromaticContact CZ-CH2 3.53Å; F58-W174 HydrophobicContact CZ-CH2 3.53Å; F58-W174 AromaticContact CZ-CZ3 3.83Å; F58-W174 HydrophobicContact CZ-CZ3 3.83Å; R163-W174 HydrophobicContact CB-CE3 4.23Å; A164-W174 WeakPolarHBondContact O-CA 3.32Å; L165-W174 HydrophobicContact CD1-CD2 4.23Å; L165-W174 HydrophobicContact CD1-CG 4.29Å
175R94.1Very high94.5Very high40 Ų4051.6 Ų51.615%0.15127%0.272CS..EExtended strand (participates in β ladder)trans-125.7163.9178.2-64.3-170.9-177.681.7-0111R163 A164 T166 L171 A173R163-R175 WeakPolarHBondContact CA-O 3.46Å; A164-R175 PolarHBondContact N-O 2.78Å; A164-R175 PolarHBondContact O-N 2.82Å; T166-R175 PolarHBondContact O-NH1 3.14Å; T166-R175 WeakPolarHBondContact OG1-CB 3.28Å; T166-R175 WeakPolarHBondContact OG1-CD 3.46Å; T166-R175 WeakPolarHBondContact OG1-CG 3.21Å; T166-R175 PolarHBondContact OG1-NH1 2.88Å; L171-R175 PolarHBondContact O-NH1 3.48Å; L171-R175 VanDerWaalsContact O-NH1 3.16Å; L171-R175 PolarHBondContact O-NH2 3.07Å; A173-R175 PolarHBondContact O-N 2.03Å
176L95.8Very high94.6Very high50 Ų5054.2 Ų54.226%0.26229%0.288SS..EExtended strand (participates in β ladder)trans-97.4102.8176.9-82.9172.7000108.2D105 I106 F161 V162 R163D105-L176 CarbonylContact C-O 3.59Å; D105-L176 WeakPolarHBondContact CA-O 3.37Å; D105-L176 PolarHBondContact OD1-N 3.43Å; I106-L176 HydrophobicContact CB-CB 4.11Å; I106-L176 HydrophobicContact CD1-CD1 4.07Å; I106-L176 HydrophobicContact CG2-CB 4.23Å; I106-L176 PolarHBondContact N-O 3.45Å; F161-L176 HydrophobicContact CB-CB 4.2Å; F161-L176 HydrophobicContact CB-CD2 4.28Å; F161-L176 WeakPolarHBondContact CD1-O 3.29Å; V162-L176 CarbonylContact O-C 3.58Å; V162-L176 WeakPolarHBondContact O-CA 3.49Å; R163-L176 HydrophobicContact CG-CD2 3.63Å; R163-L176 HydrophobicContact CG-CG 4.39Å
177I97.4Very high94.6Very high0 Ų058 Ų580%031%0.307CS..EExtended strand (participates in β ladder)trans-100.5146.4-177.964.2167.6000112A103 T104 V111 V113 F128 F161 V162 A164 T166A103-I177 HydrophobicContact CB-CB 3.76Å; A103-I177 HydrophobicContact CB-CD1 3.78Å; A103-I177 HydrophobicContact CB-CG1 4.33Å; A103-I177 HydrophobicContact CB-CG2 4Å; T104-I177 CarbonylContact O-C 3.52Å; T104-I177 WeakPolarHBondContact O-CA 2.9Å; V111-I177 HydrophobicContact CG2-CG2 3.77Å; V113-I177 HydrophobicContact CG2-CD1 3.99Å; F128-I177 HydrophobicContact CD1-CD1 4.36Å; F128-I177 HydrophobicContact CE1-CD1 3.65Å; F128-I177 HydrophobicContact CZ-CD1 3.95Å; F161-I177 CarbonylContact C-O 3.46Å; F161-I177 VanDerWaalsContact CA-O 3.29Å; F161-I177 WeakPolarHBondContact CA-O 2.97Å; V162-I177 HydrophobicContact CG2-CG1 3.88Å; V162-I177 PolarHBondContact N-O 2.87Å; V162-I177 PolarHBondContact O-N 2.85Å; A164-I177 HydrophobicContact CB-CD1 3.47Å; A164-I177 VanDerWaalsContact CB-CD1 3.47Å; A164-I177 HydrophobicContact CB-CG1 3.72Å; T166-I177 HydrophobicContact CG2-CG2 3.68Å
178R97.5Very high94.5Very high107 Ų10759.7 Ų59.740%0.40432%0.32SS..EExtended strand (participates in β ladder)trans-74.3128.2175.9-171.2-173.5-69.5-151.82.2110.8T104 H159 T160 F161T104-R178 WeakPolarHBondContact O-CB 3.41Å; T104-R178 PolarHBondContact O-N 3.22Å; H159-R178 HydrophobicContact CB-CG 3.54Å; T160-R178 WeakPolarHBondContact O-CA 3.49Å; F161-R178 HydrophobicContact CD1-CB 4.28Å; F161-R178 HydrophobicContact CE1-CB 3.89Å
179I97.3Very high94.4Very high2 Ų265.6 Ų65.61%0.0134%0.34CS..EExtended strand (participates in β ladder)trans-130.8156.2170.264.1163000111R55 F128 E130 H159 T160 V162R55-I179 HydrophobicContact CB-CD1 3.97Å; F128-I179 HydrophobicContact CD1-CG2 4.13Å; E130-I179 HydrophobicContact CG-CB 4.2Å; H159-I179 WeakPolarHBondContact CA-O 3.37Å; H159-I179 WeakPolarHBondContact CB-O 2.82Å; T160-I179 HydrophobicContact CG2-CD1 4.29Å; T160-I179 HydrophobicContact CG2-CG1 3.86Å; T160-I179 PolarHBondContact N-O 2.69Å; T160-I179 PolarHBondContact O-N 3.39Å; V162-I179 HydrophobicContact CB-CD1 4.34Å; V162-I179 HydrophobicContact CG1-CD1 3.49Å; V162-I179 VanDerWaalsContact CG1-CD1 3.49Å; V162-I179 HydrophobicContact CG1-CG1 3.87Å; V162-I179 HydrophobicContact CG2-CD1 3.89Å; V162-I179 HydrophobicContact CG2-CG1 3.98Å; V162-I179 HydrophobicContact CG2-CG2 3.75Å
180N97.1Very high94.3Very high31 Ų3161.3 Ų61.317%0.16632%0.322CS..EExtended strand (participates in β ladder)trans-74.2131.7173.6-62.7-40.2000110.6E130 T131 T132 S158 H159E130-N180 WeakPolarHBondContact CA-O 3.44Å; E130-N180 PolarHBondContact OE2-ND2 2.89Å; T131-N180 PolarHBondContact N-O 3.22Å; T131-N180 CarbonylContact O-C 3.54Å; T131-N180 VanDerWaalsContact O-CB 3.29Å; T131-N180 WeakPolarHBondContact O-CB 2.89Å; T132-N180 HydrophobicContact CG2-CB 3.94Å; S158-N180 WeakPolarHBondContact O-CA 3.36Å; H159-N180 PolarHBondContact CE1-OD1 2.65Å; H159-N180 PolarHBondContact ND1-OD1 3.01Å
181V96Very high93.9Very high29 Ų2958.2 Ų58.218%0.17631%0.312CS..EExtended strand (participates in β ladder)trans-120-26.9-169.477.30000114.1R55 T131 S158 T160R55-V181 PolarHBondContact NH1-O 2.92Å; R55-V181 VanDerWaalsContact NH2-CG2 3.35Å; R55-V181 PolarHBondContact NH2-O 3.37Å; T131-V181 WeakPolarHBondContact CB-O 3.28Å; T131-V181 PolarHBondContact OG1-O 3.23Å; S158-V181 PolarHBondContact O-N 2.77Å; S158-V181 VanDerWaalsContact OG-CG1 3.29Å; S158-V181 WeakPolarHBondContact OG-CG1 2.98Å; T160-V181 HydrophobicContact CG2-CB 3.8Å; T160-V181 HydrophobicContact CG2-CG2 3.62Å
182A95.4Very high92.6Very high35 Ų3561.7 Ų61.729%0.28932%0.317SS..EExtended strand (participates in β ladder)trans-166160.6177.200000110.7S158S158-A182 PolarHBondContact N-O 3Å; S158-A182 WeakPolarHBondContact OG-CB 3.02Å; S158-A182 PolarHBondContact OG-N 2.97Å; S158-A182 PolarHBondContact OG-O 3.19Å
183C94.9Very high91Very high20 Ų2066.8 Ų66.814%0.13534%0.336CS..EExtended strand (participates in β ladder)trans-98.1126.7167.2-173.50000110.2C90 C133C90-C183 HydrophobicContact CB-CB 4.36Å; C90-C183 WeakPolarHBondContact CB-SG 3.4Å; C133-C183 WeakPolarHBondContact CA-SG 3.18Å; C133-C183 HydrophobicContact CB-CB 3.89Å; C133-C183 WeakPolarHBondContact CB-SG 3.43Å; C133-C183 VanDerWaalsContact SG-CA 3.55Å; C133-C183 WeakPolarHBondContact SG-CB 3.46Å; C133-C183 CovalentContact SG-SG 2.02Å; C133-C183 PolarHBondContact SG-SG 3.09Å
184V95.8Very high88.8Confident61 Ų6177 Ų7737%0.3738%0.377SS..EExtended strand (participates in β ladder)trans-124.9148.1-177-61.80000111.1C155 T156C155-V184 WeakPolarHBondContact CA-O 3.39Å; T156-V184 HydrophobicContact CG2-CG2 3.94Å; T156-V184 PolarHBondContact N-O 3.04Å; T156-V184 PolarHBondContact O-N 2.88Å
185C95.3Very high88.7Confident41 Ų4178.7 Ų78.728%0.27739%0.388SS..EExtended strand (participates in β ladder)trans-84.6130.8173-179.60000110.7V89 C143V89-C185 HydrophobicContact CG1-CB 3.63Å; C143-C185 HydrophobicContact CB-CB 3.94Å; C143-C185 WeakPolarHBondContact CB-SG 3.24Å; C143-C185 WeakPolarHBondContact SG-CA 2.99Å; C143-C185 WeakPolarHBondContact SG-CB 3.37Å; C143-C185 CovalentContact SG-SG 2.01Å; C143-C185 PolarHBondContact SG-SG 2.76Å
186V95.5Very high88.4Confident59 Ų5980.7 Ų80.736%0.35840%0.4SS..EExtended strand (participates in β ladder)trans-113136.8172.6179.10000109.3S153 H154 T156S153-V186 VanDerWaalsContact CA-O 3.29Å; S153-V186 WeakPolarHBondContact CA-O 3.19Å; H154-V186 PolarHBondContact N-O 2.75Å; H154-V186 PolarHBondContact O-N 3.45Å; T156-V186 HydrophobicContact CG2-CG2 3.54Å
187L95.1Very high88Confident78 Ų7882.4 Ų82.441%0.40841%0.408SS..EExtended strand (participates in β ladder)trans-113143.7-178.6-57-177.8000110.8I146 W151 N152 S153I146-L187 HydrophobicContact CB-CD2 4.48Å; I146-L187 HydrophobicContact CD1-CD2 4.16Å; I146-L187 HydrophobicContact CG1-CD2 4.04Å; I146-L187 HydrophobicContact CG2-CD2 3.67Å; W151-L187 HydrophobicContact CE3-CB 4.02Å; N152-L187 CarbonylContact O-C 3.56Å; N152-L187 WeakPolarHBondContact O-CA 3.42Å; S153-L187 VanDerWaalsContact CB-CD2 3.44Å
188S93.6Very high87.4Confident62 Ų6287.2 Ų87.243%0.43443%0.432SS..EExtended strand (participates in β ladder)trans-132.9138.116364.40000110N152 K190N152-S188 WeakPolarHBondContact CB-OG 3.32Å; N152-S188 PolarHBondContact N-O 2.77Å; N152-S188 PolarHBondContact O-N 2.96Å; S188-K190 PolarHBondContact O-N 2.89Å
189R93.1Very high86.8Confident177 Ų17786 Ų8667%0.66843%0.434SS*.EExtended strand (participates in β ladder)trans-70.1130.4-179-167.6173.668.9-1802.3108.8W151 S191W151-R189 HydrophobicContact CE3-CB 4.12Å; W151-R189 HydrophobicContact CH2-CB 4.35Å; W151-R189 HydrophobicContact CZ3-CB 3.78Å; W151-R189 HydrophobicContact CZ3-CG 4.35Å; R189-S191 PolarHBondContact O-N 2.71Å; R189-S191 VanDerWaalsContact O-N 3.16Å
190K90.3Very high86.1Confident76 Ų7691.6 Ų91.633%0.3346%0.462SS..  trans-67.1113.1165-69.5175.5171.9-172.90105.9A148 R149 H150 N152 S188 W192A148-K190 PolarHBondContact O-NZ 2.75Å; R149-K190 WeakPolarHBondContact O-CD 3.42Å; H150-K190 PolarHBondContact O-N 3.12Å; N152-K190 WeakPolarHBondContact OD1-CE 3.24Å; S188-K190 PolarHBondContact O-N 2.89Å; K190-W192 PolarHBondContact O-N 2.85Å
191S80.8Confident85.3Confident85 Ų8595.9 Ų95.959%0.59448%0.483SS*.  trans-52.9132.3175.3550000108.2R189 Q193R189-S191 PolarHBondContact O-N 2.71Å; R189-S191 VanDerWaalsContact O-N 3.16Å; S191-Q193 PolarHBondContact O-N 2.86Å
192W64.6Low84.5Confident195 Ų195101.1 Ų101.174%0.73951%0.507SS*.  trans-63.693.7160.7-68.391.6000105.9H150 K190 Q194H150-W192 AromaticContact CD2-CZ2 4Å; K190-W192 PolarHBondContact O-N 2.85Å; W192-Q194 PolarHBondContact O-N 2.72Å; W192-Q194 VanDerWaalsContact O-N 3.09Å
193Q57.6Low83.6Confident175 Ų175106.6 Ų106.682%0.81853%0.525SS*.  trans-66.6101.1151.8-72-92.5-53.400103.2S191S191-Q193 PolarHBondContact O-N 2.86Å
194Q46.2Very low82.5Confident250 Ų250114.5 Ų114.5100%1.16856%0.56SS**  trans-63.40165.7-81.5175.4-26.600109.1W192W192-Q194 PolarHBondContact O-N 2.72Å; W192-Q194 VanDerWaalsContact O-N 3.09Å

Retrieved 194 of 194 residues in 265 ms (Link to these results)