A0A3Q0KIJ3_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A3Q0KIJ3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 167 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
1M54.9Low73.9Confident220 Ų220149.5 Ų149.5100%1.08468%0.675SS**  0-22.80-79.7171.6125.200115.4F3M1-F3 PolarHBondContact O-N 3.11Å
2K64.4Low74.7Confident193 Ų193144.3 Ų144.384%0.83966%0.656SS**Hα-helixtrans-64.9-36.4-176.6-72.8-179175.5177.40115.3R4K2-R4 PolarHBondContact O-N 3.43Å
3F64.8Low75.5Confident179 Ų179146.1 Ų146.179%0.78566%0.655SS**Hα-helixtrans-68.3-36.8-175.1-107.3-85.8000114.7M1 N5 Y6 I7M1-F3 PolarHBondContact O-N 3.11Å; F3-N5 PolarHBondContact O-N 2.81Å; F3-Y6 WeakPolarHBondContact O-CB 3.39Å; F3-Y6 PolarHBondContact O-N 3.38Å; F3-I7 PolarHBondContact O-N 2.65Å
4R69.8Low75.8Confident201 Ų201142.2 Ų142.276%0.75864%0.642SS**Hα-helixtrans-69.4-34.5-176.3-172.7173.8158.3-168-6.9112.3K2 Y6 I8K2-R4 PolarHBondContact O-N 3.43Å; R4-Y6 VanDerWaalsContact C-N 3.34Å; R4-I8 PolarHBondContact O-N 3.04Å
5N74.1Confident76Confident99 Ų99140.7 Ų140.753%0.52964%0.641SS.*Hα-helixtrans-68.3-34.9175-74.2-3.3000111.6F3 I7 I8 F9F3-N5 PolarHBondContact O-N 2.81Å; N5-I7 PolarHBondContact O-N 3.08Å; N5-I8 PolarHBondContact O-N 3.28Å; N5-F9 WeakPolarHBondContact O-CD2 3.29Å; N5-F9 PolarHBondContact O-N 2.91Å; N5-F9 VanDerWaalsContact O-N 3.1Å
6Y77.4Confident76Confident175 Ų175138 Ų13869%0.68663%0.633SS**Hα-helixtrans-62.4-40.9179-144.9-89.9000112.4F3 R4 I8 F9 L10F3-Y6 WeakPolarHBondContact O-CB 3.39Å; F3-Y6 PolarHBondContact O-N 3.38Å; R4-Y6 VanDerWaalsContact C-N 3.34Å; Y6-I8 PolarHBondContact O-N 3.24Å; Y6-F9 PolarHBondContact O-N 2.95Å; Y6-L10 WeakPolarHBondContact O-CB 3.16Å; Y6-L10 PolarHBondContact O-N 3.4Å
7I78.4Confident76Confident100 Ų100134.3 Ų134.351%0.51362%0.619SS.*Hα-helixtrans-66-37.5178.7-62.7171.4000111.6F3 N5 L10 K11F3-I7 PolarHBondContact O-N 2.65Å; N5-I7 PolarHBondContact O-N 3.08Å; I7-L10 PolarHBondContact O-N 3.42Å; I7-K11 PolarHBondContact O-N 2.91Å; I7-K11 VanDerWaalsContact O-N 3.14Å
8I81.3Confident75.2Confident85 Ų85133.9 Ų133.944%0.43662%0.617SS.*Hα-helixtrans-67.8-46.3179-65.2168000110.2R4 N5 Y6 L10 K11 I12R4-I8 PolarHBondContact O-N 3.04Å; N5-I8 PolarHBondContact O-N 3.28Å; Y6-I8 PolarHBondContact O-N 3.24Å; I8-L10 VanDerWaalsContact C-N 3.31Å; I8-L10 PolarHBondContact O-N 2.92Å; I8-K11 PolarHBondContact O-N 2.04Å; I8-I12 HydrophobicContact CG2-CD1 3.89Å; I8-I12 WeakPolarHBondContact O-CG1 3.09Å; I8-I12 PolarHBondContact O-N 2.04Å; I8-I12 VanDerWaalsContact O-N 3.11Å
9F80Confident74.7Confident153 Ų153130.9 Ų130.967%0.67161%0.609SS**Hα-helixtrans-60.4-40.7175.6-90.8-80.5000112.1N5 Y6 K11 I12 W13N5-F9 WeakPolarHBondContact O-CD2 3.29Å; N5-F9 PolarHBondContact O-N 2.91Å; N5-F9 VanDerWaalsContact O-N 3.1Å; Y6-F9 PolarHBondContact O-N 2.95Å; F9-K11 PolarHBondContact O-N 3.48Å; F9-I12 PolarHBondContact O-N 2.83Å; F9-W13 WeakPolarHBondContact O-CB 3.43Å; F9-W13 PolarHBondContact O-N 2.86Å
10L84.2Confident74.1Confident95 Ų95130 Ų13050%0.49761%0.608SS.*Hα-helixtrans-60.9-42.5177.4-157.190.9000112.2Y6 I7 I8 W13 L14Y6-L10 WeakPolarHBondContact O-CB 3.16Å; Y6-L10 PolarHBondContact O-N 3.4Å; I7-L10 PolarHBondContact O-N 3.42Å; I8-L10 VanDerWaalsContact C-N 3.31Å; I8-L10 PolarHBondContact O-N 2.92Å; L10-W13 PolarHBondContact O-N 3.4Å; L10-L14 HydrophobicContact CD2-CD1 4.48Å; L10-L14 WeakPolarHBondContact O-CB 3.08Å; L10-L14 PolarHBondContact O-N 2.85Å
11K83.4Confident73.4Confident144 Ų144127.8 Ų127.863%0.62660%0.603SS**Hα-helixtrans-66.2-41.3178.1-78-172.3175-1740112.6I7 I8 F9 L15I7-K11 PolarHBondContact O-N 2.91Å; I7-K11 VanDerWaalsContact O-N 3.14Å; I8-K11 PolarHBondContact O-N 2.04Å; F9-K11 PolarHBondContact O-N 3.48Å; K11-L15 PolarHBondContact O-N 2.89Å; K11-L15 VanDerWaalsContact O-N 3.07Å
12I84.3Confident73.4Confident88 Ų88120.9 Ų120.945%0.45158%0.576SS.*Hα-helixtrans-66.3-41.3177.9-66.5166.3000110.3I8 F9 L15 L16I8-I12 HydrophobicContact CG2-CD1 3.89Å; I8-I12 WeakPolarHBondContact O-CG1 3.09Å; I8-I12 PolarHBondContact O-N 2.04Å; I8-I12 VanDerWaalsContact O-N 3.11Å; F9-I12 PolarHBondContact O-N 2.83Å; I12-L15 PolarHBondContact O-N 3.43Å; I12-L16 HydrophobicContact CG2-CD1 3.99Å; I12-L16 PolarHBondContact O-N 2.87Å
13W84Confident73Confident167 Ų167118 Ų11863%0.63357%0.57SS**Hα-helixtrans-63.8-44.2177.3-169.280.8000112.1F9 L10 L15 L16 L17F9-W13 WeakPolarHBondContact O-CB 3.43Å; F9-W13 PolarHBondContact O-N 2.86Å; L10-W13 PolarHBondContact O-N 3.4Å; W13-L15 VanDerWaalsContact C-N 3.34Å; W13-L15 PolarHBondContact O-N 2.86Å; W13-L16 PolarHBondContact O-N 3.41Å; W13-L17 HydrophobicContact CD2-CD1 4.18Å; W13-L17 HydrophobicContact CE3-CD1 4.13Å; W13-L17 HydrophobicContact CH2-CD1 3.34Å; W13-L17 HydrophobicContact CZ2-CD1 3.35Å; W13-L17 HydrophobicContact CZ3-CD1 3.73Å; W13-L17 WeakPolarHBondContact O-CB 3.47Å; W13-L17 PolarHBondContact O-N 2.76Å
14L80.7Confident72.1Confident92 Ų92112.2 Ų112.248%0.48256%0.56SS.*Hα-helixtrans-59.4-41.1173.6-94.2153.4000112.8L10 L17 H18L10-L14 HydrophobicContact CD2-CD1 4.48Å; L10-L14 WeakPolarHBondContact O-CB 3.08Å; L10-L14 PolarHBondContact O-N 2.85Å; L14-L17 PolarHBondContact O-N 3.34Å; L14-H18 WeakPolarHBondContact O-CB 3.49Å; L14-H18 PolarHBondContact O-N 3.01Å
15L78.3Confident70.8Confident119 Ų119109.4 Ų109.462%0.62356%0.56SS**Hα-helixtrans-64.3-46.4175.9-96.4153.7000111.9K11 I12 W13 L17 H18 V19K11-L15 PolarHBondContact O-N 2.89Å; K11-L15 VanDerWaalsContact O-N 3.07Å; I12-L15 PolarHBondContact O-N 3.43Å; W13-L15 VanDerWaalsContact C-N 3.34Å; W13-L15 PolarHBondContact O-N 2.86Å; L15-L17 VanDerWaalsContact C-N 3.34Å; L15-L17 PolarHBondContact O-N 3.16Å; L15-H18 PolarHBondContact O-N 3.13Å; L15-V19 WeakPolarHBondContact O-CG2 3.07Å; L15-V19 PolarHBondContact O-N 2Å
16L76.2Confident69.3Low98 Ų98114.4 Ų114.451%0.51357%0.573SS.*Hα-helixtrans-62.3-42.2176.6-83161.1000111.6I12 W13 H18 V19 I20I12-L16 HydrophobicContact CG2-CD1 3.99Å; I12-L16 PolarHBondContact O-N 2.87Å; W13-L16 PolarHBondContact O-N 3.41Å; L16-H18 VanDerWaalsContact C-N 3.33Å; L16-H18 PolarHBondContact O-N 3.42Å; L16-V19 PolarHBondContact O-N 3.05Å; L16-I20 VanDerWaalsContact O-CG1 3.27Å; L16-I20 WeakPolarHBondContact O-CG1 3.31Å; L16-I20 PolarHBondContact O-N 3.47Å
17L75.1Confident67.6Low75 Ų75108.7 Ų108.739%0.39357%0.567SS.*Hα-helixtrans-64.8-39.1177.9-144.3129.8000111.2W13 L14 L15 I20 V21W13-L17 HydrophobicContact CD2-CD1 4.18Å; W13-L17 HydrophobicContact CE3-CD1 4.13Å; W13-L17 HydrophobicContact CH2-CD1 3.34Å; W13-L17 HydrophobicContact CZ2-CD1 3.35Å; W13-L17 HydrophobicContact CZ3-CD1 3.73Å; W13-L17 WeakPolarHBondContact O-CB 3.47Å; W13-L17 PolarHBondContact O-N 2.76Å; L14-L17 PolarHBondContact O-N 3.34Å; L15-L17 VanDerWaalsContact C-N 3.34Å; L15-L17 PolarHBondContact O-N 3.16Å; L17-I20 PolarHBondContact O-N 2.9Å; L17-V21 HydrophobicContact CD2-CG2 4.18Å; L17-V21 WeakPolarHBondContact O-CB 3.37Å; L17-V21 VanDerWaalsContact O-CG2 3.24Å; L17-V21 WeakPolarHBondContact O-CG2 3.42Å; L17-V21 PolarHBondContact O-N 2.77Å
18H62.9Low65.8Low127 Ų127112.5 Ų112.559%0.58858%0.58SS**Hα-helixtrans-62.4-41.5172.7-116.1-71.6000112.6L14 L15 L16 C22L14-H18 WeakPolarHBondContact O-CB 3.49Å; L14-H18 PolarHBondContact O-N 3.01Å; L15-H18 PolarHBondContact O-N 3.13Å; L16-H18 VanDerWaalsContact C-N 3.33Å; L16-H18 PolarHBondContact O-N 3.42Å; H18-C22 VanDerWaalsContact O-CB 3.24Å; H18-C22 WeakPolarHBondContact O-CB 3.39Å; H18-C22 PolarHBondContact O-N 2.84Å; H18-C22 PolarHBondContact O-SG 3.38Å
19V64.6Low64Low78 Ų78112.4 Ų112.447%0.47359%0.592SS.*Hα-helixtrans-67.4-41.2177.1173.20000111.1L15 L16 C22 N23L15-V19 WeakPolarHBondContact O-CG2 3.07Å; L15-V19 PolarHBondContact O-N 2Å; L16-V19 PolarHBondContact O-N 3.05Å; V19-C22 PolarHBondContact O-N 2.97Å; V19-N23 WeakPolarHBondContact O-CB 3.33Å; V19-N23 PolarHBondContact O-N 2.86Å
20I64.1Low62.4Low112 Ų112108.7 Ų108.757%0.57459%0.585SS**Hα-helixtrans-67-43.9177.9-66.1165.4000110.6L16 L17 C22 N23 G24L16-I20 VanDerWaalsContact O-CG1 3.27Å; L16-I20 WeakPolarHBondContact O-CG1 3.31Å; L16-I20 PolarHBondContact O-N 3.47Å; L17-I20 PolarHBondContact O-N 2.9Å; I20-C22 VanDerWaalsContact C-N 3.33Å; I20-C22 PolarHBondContact O-N 2.04Å; I20-N23 PolarHBondContact O-N 2.96Å; I20-G24 WeakPolarHBondContact O-CA 3.09Å; I20-G24 PolarHBondContact O-N 3.17Å
21V57.9Low60.4Low83 Ų83113 Ų11350%0.50360%0.596SS.*Hα-helixtrans-66.6-36.3176.5174.30000111L17L17-V21 HydrophobicContact CD2-CG2 4.18Å; L17-V21 WeakPolarHBondContact O-CB 3.37Å; L17-V21 VanDerWaalsContact O-CG2 3.24Å; L17-V21 WeakPolarHBondContact O-CG2 3.42Å; L17-V21 PolarHBondContact O-N 2.77Å
22C56.3Low58.4Low76 Ų76112 Ų11251%0.51460%0.597SS.*Hα-helixtrans-69.7-32.3175.7-75.20000113.4H18 V19 I20H18-C22 VanDerWaalsContact O-CB 3.24Å; H18-C22 WeakPolarHBondContact O-CB 3.39Å; H18-C22 PolarHBondContact O-N 2.84Å; H18-C22 PolarHBondContact O-SG 3.38Å; V19-C22 PolarHBondContact O-N 2.97Å; I20-C22 VanDerWaalsContact C-N 3.33Å; I20-C22 PolarHBondContact O-N 2.04Å
23N55Low56.4Low133 Ų133114.7 Ų114.771%0.71161%0.608SS**Hα-helixtrans-91.8-28.2178.8-79.6-15.9000113.9V19 I20V19-N23 WeakPolarHBondContact O-CB 3.33Å; V19-N23 PolarHBondContact O-N 2.86Å; I20-N23 PolarHBondContact O-N 2.96Å
24G46.4Very low54.6Low57 Ų57111 Ų11159%0.58860%0.604SS**Hα-helixtrans-81-24.4-169.100000115.1I20I20-G24 WeakPolarHBondContact O-CA 3.09Å; I20-G24 PolarHBondContact O-N 3.17Å
25D42.3Very low52.9Low141 Ų141110.3 Ų110.375%0.75460%0.6SS**SBendtrans-112.97.4-171.1-101.2-23.3000115.6G27D25-G27 PolarHBondContact O-N 2.89Å; D25-G27 VanDerWaalsContact O-N 3.08Å
26Y43.3Very low51.4Low205 Ų205107.3 Ų107.380%0.80459%0.589SS**  trans-85.873.8160.2-81.2-83.2000109K28Y26-K28 PolarHBondContact O-N 2.9Å
27G40.3Very low50Low55 Ų55109.8 Ų109.857%0.56760%0.598SS**  trans-5285.9166.300000110.9D25 A29D25-G27 PolarHBondContact O-N 2.89Å; D25-G27 VanDerWaalsContact O-N 3.08Å; G27-A29 PolarHBondContact O-N 3.45Å
28K42.1Very low48.6Very low180 Ų180111.3 Ų111.378%0.78360%0.599SS**Hα-helixtrans-61.8-15.6169.9-88.5179.1172.3174.50112.5Y26Y26-K28 PolarHBondContact O-N 2.9Å
29A43.6Very low47.6Very low82 Ų82110.5 Ų110.568%0.67859%0.594SS**Hα-helixtrans-79.7-25.3-173.700000114.5G27G27-A29 PolarHBondContact O-N 3.45Å
30S45.4Very low46.9Very low75 Ų75110.9 Ų110.952%0.52459%0.594SS.*Hα-helixtrans-91.9-34-170.41670000114.5
31Y42.3Very low46.3Very low187 Ų187108.1 Ų108.173%0.73359%0.588SS**Hα-helixtrans-89.8-30.2-169.4-91.2-85.3000114.8Q33 V34 D35Y31-Q33 PolarHBondContact O-N 2.77Å; Y31-V34 PolarHBondContact O-N 3.25Å; Y31-D35 PolarHBondContact O-N 2.84Å
32D40.9Very low45.8Very low123 Ų123105.2 Ų105.266%0.65857%0.57SS**Hα-helixtrans-67.3-28.2176.4-73.7-20.4000111.2S36D32-S36 WeakPolarHBondContact O-CB 3.39Å; D32-S36 PolarHBondContact O-N 3.32Å
33Q43.1Very low45.3Very low143 Ų143107.3 Ų107.367%0.66857%0.572SS**Hα-helixtrans-70.7-43.1178.9-129.5175.8-1600112.5Y31 S36 E37Y31-Q33 PolarHBondContact O-N 2.77Å; Q33-S36 PolarHBondContact O-N 3.44Å; Q33-E37 PolarHBondContact O-N 2.95Å
34V45.8Very low45.1Very low90 Ų90108.1 Ų108.155%0.54557%0.572SS.*Hα-helixtrans-67.9-38.7178.1-176.60000111.4Y31 S36 Y38Y31-V34 PolarHBondContact O-N 3.25Å; V34-S36 VanDerWaalsContact C-N 3.28Å; V34-S36 PolarHBondContact O-N 3.22Å; V34-Y38 WeakPolarHBondContact O-CB 3.36Å; V34-Y38 PolarHBondContact O-N 2.94Å; V34-Y38 VanDerWaalsContact O-N 3.12Å
35D44.3Very low45.1Very low77 Ų77112.7 Ų112.741%0.41258%0.578SS.*Hα-helixtrans-71.5-25.9176.7-133.417.9000111.2Y31 K39Y31-D35 PolarHBondContact O-N 2.84Å; D35-K39 VanDerWaalsContact O-CB 3.22Å; D35-K39 WeakPolarHBondContact O-CB 3.2Å; D35-K39 VanDerWaalsContact O-CG 3.23Å; D35-K39 WeakPolarHBondContact O-CG 3.47Å; D35-K39 PolarHBondContact O-N 2.9Å
36S47.2Very low45.2Very low56 Ų56109.7 Ų109.739%0.39256%0.561SS.*Hα-helixtrans-72.8-50.8173.7-162.80000112.2D32 Q33 V34 Y38 K39 D40D32-S36 WeakPolarHBondContact O-CB 3.39Å; D32-S36 PolarHBondContact O-N 3.32Å; Q33-S36 PolarHBondContact O-N 3.44Å; V34-S36 VanDerWaalsContact C-N 3.28Å; V34-S36 PolarHBondContact O-N 3.22Å; S36-Y38 VanDerWaalsContact C-N 3.29Å; S36-Y38 PolarHBondContact O-N 2.76Å; S36-K39 WeakPolarHBondContact O-CB 3.03Å; S36-K39 PolarHBondContact O-N 3.35Å; S36-K39 VanDerWaalsContact O-N 3.1Å; S36-D40 PolarHBondContact O-N 2.89Å
37E47.7Very low45.5Very low150 Ų150106.1 Ų106.170%0.70156%0.56SS**Hα-helixtrans-61.3-40.1177.9-88-175.7162.300111.8Q33 D40 A41Q33-E37 PolarHBondContact O-N 2.95Å; E37-D40 PolarHBondContact O-N 3Å; E37-A41 WeakPolarHBondContact O-CB 3.45Å; E37-A41 PolarHBondContact O-N 3.43Å
38Y44.5Very low46Very low107 Ų107112.3 Ų112.342%0.4257%0.572SS.*Hα-helixtrans-66-39.2174.8-173.9-98000112V34 S36 V42V34-Y38 WeakPolarHBondContact O-CB 3.36Å; V34-Y38 PolarHBondContact O-N 2.94Å; V34-Y38 VanDerWaalsContact O-N 3.12Å; S36-Y38 VanDerWaalsContact C-N 3.29Å; S36-Y38 PolarHBondContact O-N 2.76Å; Y38-V42 HydrophobicContact CD1-CG2 4.21Å; Y38-V42 HydrophobicContact CE1-CG2 3.8Å; Y38-V42 HydrophobicContact CE2-CG2 4.19Å; Y38-V42 WeakPolarHBondContact O-CB 3.41Å; Y38-V42 VanDerWaalsContact O-CG2 3.25Å; Y38-V42 WeakPolarHBondContact O-CG2 3.06Å; Y38-V42 PolarHBondContact O-N 2.82Å; Y38-V42 VanDerWaalsContact O-N 3.12Å
39K42.8Very low46.3Very low111 Ų111106.2 Ų106.248%0.48355%0.554SS.*Hα-helixtrans-62.5-45.8174.5-91.4179.9170.8-173.60112D35 S36 V42 E43D35-K39 VanDerWaalsContact O-CB 3.22Å; D35-K39 WeakPolarHBondContact O-CB 3.2Å; D35-K39 VanDerWaalsContact O-CG 3.23Å; D35-K39 WeakPolarHBondContact O-CG 3.47Å; D35-K39 PolarHBondContact O-N 2.9Å; S36-K39 WeakPolarHBondContact O-CB 3.03Å; S36-K39 PolarHBondContact O-N 3.35Å; S36-K39 VanDerWaalsContact O-N 3.1Å; K39-V42 PolarHBondContact O-N 3.1Å; K39-E43 WeakPolarHBondContact O-CB 3.44Å; K39-E43 WeakPolarHBondContact O-CG 3.12Å; K39-E43 PolarHBondContact O-N 2.83Å
40D50.6Low46.5Very low86 Ų86106.6 Ų106.646%0.4655%0.55SS.*Hα-helixtrans-65.9-41.8-177.3-71.2-21.5000111.1S36 E37 V42 E43 Q44S36-D40 PolarHBondContact O-N 2.89Å; E37-D40 PolarHBondContact O-N 3Å; D40-V42 PolarHBondContact O-N 2.99Å; D40-E43 PolarHBondContact O-N 3.36Å; D40-Q44 WeakPolarHBondContact O-CB 3.41Å; D40-Q44 WeakPolarHBondContact O-CG 3.41Å; D40-Q44 PolarHBondContact O-N 3.01Å
41A50.8Low46.7Very low54 Ų54110.7 Ų110.745%0.44657%0.565SS.*Hα-helixtrans-62.5-43.6176.200000112.2E37 E45E37-A41 WeakPolarHBondContact O-CB 3.45Å; E37-A41 PolarHBondContact O-N 3.43Å; A41-E45 PolarHBondContact O-N 3.01Å
42V47.3Very low47.3Very low21 Ų21106.7 Ų106.713%0.12756%0.564CS.*Hα-helixtrans-71.7-38.7178.7173.40000111.7Y38 K39 D40 Q44 E45 I46Y38-V42 HydrophobicContact CD1-CG2 4.21Å; Y38-V42 HydrophobicContact CE1-CG2 3.8Å; Y38-V42 HydrophobicContact CE2-CG2 4.19Å; Y38-V42 WeakPolarHBondContact O-CB 3.41Å; Y38-V42 VanDerWaalsContact O-CG2 3.25Å; Y38-V42 WeakPolarHBondContact O-CG2 3.06Å; Y38-V42 PolarHBondContact O-N 2.82Å; Y38-V42 VanDerWaalsContact O-N 3.12Å; K39-V42 PolarHBondContact O-N 3.1Å; D40-V42 PolarHBondContact O-N 2.99Å; V42-Q44 VanDerWaalsContact C-N 3.35Å; V42-E45 PolarHBondContact O-N 3.32Å; V42-I46 HydrophobicContact CG1-CD1 3.66Å; V42-I46 HydrophobicContact CG1-CG1 4.28Å; V42-I46 WeakPolarHBondContact O-CD1 3.08Å; V42-I46 WeakPolarHBondContact O-CG1 3.39Å; V42-I46 PolarHBondContact O-N 3.14Å
43E46.1Very low48.1Very low120 Ų120109.1 Ų109.156%0.56157%0.569SS**Hα-helixtrans-63.7-40175-80.3-171.9176.600111.5K39 D40 E45 I46 V47K39-E43 WeakPolarHBondContact O-CB 3.44Å; K39-E43 WeakPolarHBondContact O-CG 3.12Å; K39-E43 PolarHBondContact O-N 2.83Å; D40-E43 PolarHBondContact O-N 3.36Å; E43-E45 PolarHBondContact O-N 3.23Å; E43-I46 PolarHBondContact O-N 2.81Å; E43-V47 WeakPolarHBondContact O-CG2 3.42Å; E43-V47 PolarHBondContact O-N 2.87Å
44Q50.6Low48.7Very low151 Ų151108.9 Ų108.971%0.70657%0.57SS**Hα-helixtrans-64.3-36.6175.3-79.8-173.3-4.200113.4D40 V42D40-Q44 WeakPolarHBondContact O-CB 3.41Å; D40-Q44 WeakPolarHBondContact O-CG 3.41Å; D40-Q44 PolarHBondContact O-N 3.01Å; V42-Q44 VanDerWaalsContact C-N 3.35Å
45E46.1Very low49.7Very low152 Ų152107.4 Ų107.471%0.7156%0.562SS**Hα-helixtrans-71-38.5174.2-84.6-169.2153.600112.4A41 V42 E43 V47 K48A41-E45 PolarHBondContact O-N 3.01Å; V42-E45 PolarHBondContact O-N 3.32Å; E43-E45 PolarHBondContact O-N 3.23Å; E45-V47 VanDerWaalsContact C-N 3.29Å; E45-V47 PolarHBondContact O-N 3.41Å; E45-K48 PolarHBondContact O-N 2.81Å
46I44Very low51Low79 Ų79108.1 Ų108.141%0.40557%0.569SS.*Hα-helixtrans-63.8-35.2-179.6-69.5166.4000111.5V42 E43 K48 A49V42-I46 HydrophobicContact CG1-CD1 3.66Å; V42-I46 HydrophobicContact CG1-CG1 4.28Å; V42-I46 WeakPolarHBondContact O-CD1 3.08Å; V42-I46 WeakPolarHBondContact O-CG1 3.39Å; V42-I46 PolarHBondContact O-N 3.14Å; E43-I46 PolarHBondContact O-N 2.81Å; I46-K48 PolarHBondContact O-N 2.86Å; I46-K48 VanDerWaalsContact O-N 3.15Å; I46-A49 PolarHBondContact O-N 3.43Å
47V50.5Low52.2Low129 Ų129105.8 Ų105.878%0.78255%0.553SS**THydrogen-bonded Turntrans-63.9-20.2179.8176.20000112.6E43 E45E43-V47 WeakPolarHBondContact O-CG2 3.42Å; E43-V47 PolarHBondContact O-N 2.87Å; E45-V47 VanDerWaalsContact C-N 3.29Å; E45-V47 PolarHBondContact O-N 3.41Å
48K51.2Low53.5Low186 Ų186106.9 Ų106.981%0.80956%0.556SS**THydrogen-bonded Turntrans-92.4-14.4178.3-71.2-176.9-179.4175.10114.5E45 I46E45-K48 PolarHBondContact O-N 2.81Å; I46-K48 PolarHBondContact O-N 2.86Å; I46-K48 VanDerWaalsContact O-N 3.15Å
49A47Very low55Low51 Ų51105.5 Ų105.542%0.42156%0.559SS.*SBendtrans-77.8135.4177.500000109.9I46 L51I46-A49 PolarHBondContact O-N 3.43Å; A49-L51 PolarHBondContact O-N 2.05Å
50P48Very low57Low91 Ų91106.1 Ų106.159%0.59156%0.564SS**  trans-55137.4173.722.5-31.5000109.5S52 F53P50-S52 PolarHBondContact O-N 3.05Å; P50-F53 PolarHBondContact O-N 2.92Å
51L51Low58.7Low160 Ų160106.1 Ų106.184%0.83856%0.561SS**G310 helixtrans-45.5-20.9178.5-87.1153.2000113.9A49 F53A49-L51 PolarHBondContact O-N 2.05Å; L51-F53 PolarHBondContact O-N 3.5Å
52S54.7Low60.3Low103 Ų103105.5 Ų105.572%0.7255%0.55SS**G310 helixtrans-65-13.2175.2550000115.2P50P50-S52 PolarHBondContact O-N 3.05Å
53F55.9Low62.3Low174 Ų174109 Ų10976%0.76357%0.565SS**G310 helixtrans-118.340.8-179.5-131-92.3000112.9P50 L51 P55P50-F53 PolarHBondContact O-N 2.92Å; L51-F53 PolarHBondContact O-N 3.5Å; F53-P55 VanDerWaalsContact O-CD 3.31Å; F53-P55 WeakPolarHBondContact O-CD 3.28Å; F53-P55 VanDerWaalsContact O-N 3.13Å
54M56.1Low64.3Low139 Ų139104.9 Ų104.969%0.68555%0.548SS*.  trans-56.2120.2169.2-72.2-174.982.400109.2V56M54-V56 WeakPolarHBondContact O-CG2 3.47Å; M54-V56 PolarHBondContact O-N 2.81Å
55P68.2Low66.2Low58 Ų58102.9 Ų102.938%0.37754%0.537SS..  trans-65.2113.1-178.22.92000109.2F53 L119F53-P55 VanDerWaalsContact O-CD 3.31Å; F53-P55 WeakPolarHBondContact O-CD 3.28Å; F53-P55 VanDerWaalsContact O-N 3.13Å; P55-L119 HydrophobicContact CB-CD1 3.78Å; P55-L119 HydrophobicContact CB-CD2 3.86Å; P55-L119 HydrophobicContact CB-CG 4.46Å; P55-L119 HydrophobicContact CG-CD1 4.47Å; P55-L119 HydrophobicContact CG-CD2 3.73Å; P55-L119 WeakPolarHBondContact O-CD2 3.48Å
56V70.4Confident68.2Low92 Ų9297.1 Ų97.156%0.55851%0.513SS*.  trans-96.9128.1177.8-168.40000109.3M54 K58M54-V56 WeakPolarHBondContact O-CG2 3.47Å; M54-V56 PolarHBondContact O-N 2.81Å; V56-K58 HydrophobicContact CG1-CD 4.45Å; V56-K58 HydrophobicContact CG1-CG 3.98Å; V56-K58 PolarHBondContact O-N 2.87Å
57C73.5Confident70.3Confident8 Ų8100.7 Ų100.75%0.05453%0.529CS..  trans-78.3108.2173.4-175.60000109.3Q60 Y117 L119 C124C57-Q60 VanDerWaalsContact O-CG 3.22Å; C57-Q60 WeakPolarHBondContact O-CG 3.5Å; C57-Y117 WeakPolarHBondContact SG-CB 3.27Å; C57-L119 HydrophobicContact CB-CB 4.44Å; C57-C124 WeakPolarHBondContact CA-SG 3.33Å; C57-C124 HydrophobicContact CB-CB 3.79Å; C57-C124 WeakPolarHBondContact CB-SG 3.48Å; C57-C124 WeakPolarHBondContact SG-CB 3.48Å; C57-C124 CovalentContact SG-SG 2.03Å; C57-C124 PolarHBondContact SG-SG 3.45Å
58K74.6Confident72.3Confident173 Ų173102.2 Ų102.275%0.75253%0.525SS*.SBendtrans-131.4132.5176.8-70.9-172.4-180177.70110.8V56V56-K58 HydrophobicContact CG1-CD 4.45Å; V56-K58 HydrophobicContact CG1-CG 3.98Å; V56-K58 PolarHBondContact O-N 2.87Å
59P75.6Confident74.3Confident77 Ų7797.4 Ų97.450%0.551%0.505SS..SBendcis-72.7145.8-5.432.6-36.4000111.7Q61 I62P59-Q61 PolarHBondContact O-N 2.97Å; P59-I62 HydrophobicContact CB-CG1 4.33Å; P59-I62 HydrophobicContact CG-CD1 3.78Å; P59-I62 HydrophobicContact CG-CG1 3.46Å; P59-I62 VanDerWaalsContact CG-CG1 3.46Å
60Q84.3Confident76.3Confident124 Ų12496.9 Ų96.958%0.57950%0.495SS*.SBendtrans-70.2-22.6175.2-70.1-177.5-15.800112.3C57 H116 Y117C57-Q60 VanDerWaalsContact O-CG 3.22Å; C57-Q60 WeakPolarHBondContact O-CG 3.5Å; Q60-H116 CarbonylContact O-C 3.53Å; Q60-H116 VanDerWaalsContact O-CA 3.3Å; Q60-H116 WeakPolarHBondContact O-CA 3.4Å; Q60-Y117 PolarHBondContact O-N 3.2Å
61Q86Confident78.3Confident87 Ų87100.5 Ų100.541%0.40750%0.497SS..EExtended strand (participates in β ladder)trans-142.3140.9-177.8-55.4-172.8900109.2P59 V114 Y115 H116P59-Q61 PolarHBondContact O-N 2.97Å; Q61-V114 HydrophobicContact CB-CG1 4.09Å; Q61-Y115 CarbonylContact C-O 3.52Å; Q61-Y115 VanDerWaalsContact CA-O 3.3Å; Q61-Y115 WeakPolarHBondContact CA-O 3.2Å; Q61-H116 VanDerWaalsContact CD-CE1 3.45Å; Q61-H116 HydrophobicContact CG-CB 4.4Å; Q61-H116 WeakPolarHBondContact CG-ND1 3.49Å; Q61-H116 PolarHBondContact NE2-CE1 3.45Å; Q61-H116 PolarHBondContact NE2-ND1 3.5Å; Q61-H116 VanDerWaalsContact NE2-ND1 3.14Å
62I86.2Confident80.1Confident41 Ų4193.2 Ų93.221%0.2146%0.459CS..EExtended strand (participates in β ladder)trans-130.4136.9172.4-52.6168.8000108.5P59 V114 Y115 Y117 W163P59-I62 HydrophobicContact CB-CG1 4.33Å; P59-I62 HydrophobicContact CG-CD1 3.78Å; P59-I62 HydrophobicContact CG-CG1 3.46Å; P59-I62 VanDerWaalsContact CG-CG1 3.46Å; I62-V114 WeakPolarHBondContact O-CA 3.27Å; I62-Y115 PolarHBondContact N-O 3.42Å; I62-Y115 PolarHBondContact O-N 2.77Å; I62-Y117 HydrophobicContact CD1-CD2 4.34Å; I62-Y117 HydrophobicContact CD1-CE2 3.81Å; I62-Y117 HydrophobicContact CG1-CD2 4.48Å; I62-Y117 HydrophobicContact CG1-CE2 4.18Å; I62-W163 HydrophobicContact CB-CH2 3.16Å; I62-W163 HydrophobicContact CB-CZ2 3.36Å; I62-W163 HydrophobicContact CB-CZ3 3.87Å; I62-W163 HydrophobicContact CD1-CD2 4.08Å; I62-W163 HydrophobicContact CD1-CH2 3.92Å; I62-W163 HydrophobicContact CD1-CZ2 3.26Å; I62-W163 HydrophobicContact CD1-CZ3 4.46Å; I62-W163 HydrophobicContact CG1-CH2 4.1Å; I62-W163 HydrophobicContact CG1-CZ2 3.83Å; I62-W163 HydrophobicContact CG2-CE3 3.94Å; I62-W163 HydrophobicContact CG2-CH2 3.01Å; I62-W163 HydrophobicContact CG2-CZ2 3.63Å; I62-W163 HydrophobicContact CG2-CZ3 3.13Å
63H88.6Confident81.7Confident94 Ų9488.7 Ų88.744%0.43543%0.428SS..EExtended strand (participates in β ladder)trans-107.6126.4-172.4-63.2-93.1000109.6H112 K113H63-H112 WeakPolarHBondContact CB-NE2 3.09Å; H63-H112 AromaticContact CG-NE2 3.56Å; H63-H112 AromaticContact ND1-CE1 3.32Å; H63-H112 PolarHBondContact ND1-CE1 3.43Å; H63-H112 VanDerWaalsContact ND1-CE1 3.32Å; H63-H112 AromaticContact ND1-NE2 2.9Å; H63-H112 PolarHBondContact ND1-NE2 3.1Å; H63-K113 WeakPolarHBondContact CA-O 3.3Å
64T88.9Confident83Confident34 Ų3483.4 Ų83.421%0.20941%0.412CS..EExtended strand (participates in β ladder)trans-123.5147.1170.773.70000111.3H112 K113 Y115 W163T64-H112 CarbonylContact O-C 3.56Å; T64-H112 WeakPolarHBondContact O-CA 3.17Å; T64-H112 PolarHBondContact O-CD2 3.14Å; T64-K113 PolarHBondContact N-O 3.45Å; T64-K113 PolarHBondContact O-N 3.4Å; T64-Y115 HydrophobicContact CG2-CD2 4.24Å; T64-Y115 HydrophobicContact CG2-CE2 3.79Å; T64-Y115 WeakPolarHBondContact OG1-CE2 3.48Å; T64-W163 HydrophobicContact CG2-CE3 4.43Å; T64-W163 HydrophobicContact CG2-CH2 3.86Å; T64-W163 HydrophobicContact CG2-CZ3 3.38Å
65F88.8Confident84.3Confident109 Ų10977.7 Ų77.748%0.47839%0.388SS..EExtended strand (participates in β ladder)trans-116.4136.2-179.1-65.5-79.7000109.2P109 H112F65-P109 HydrophobicContact CB-CB 3.77Å; F65-P109 HydrophobicContact CB-CG 3.89Å; F65-P109 HydrophobicContact CD1-CB 3.94Å; F65-P109 HydrophobicContact CD1-CG 4.06Å; F65-P109 HydrophobicContact CG-CB 4.26Å; F65-P109 HydrophobicContact CG-CG 4.19Å; F65-H112 HydrophobicContact CD1-CB 3.94Å; F65-H112 AromaticContact CD1-CD2 3.88Å; F65-H112 HydrophobicContact CE1-CB 3.87Å; F65-H112 AromaticContact CE1-CD2 3.42Å; F65-H112 VanDerWaalsContact CE1-CD2 3.42Å; F65-H112 WeakPolarHBondContact CE1-CD2 3.41Å; F65-H112 AromaticContact CE1-CG 3.63Å; F65-H112 AromaticContact CZ-CD2 3.67Å; F65-H112 AromaticContact CZ-NE2 3.9Å
66S87.9Confident85.3Confident30 Ų3079.5 Ų79.521%0.2139%0.394CS..  trans-66.5144.6175.162.40000111.2K68 S110 I111S66-K68 PolarHBondContact O-N 3.05Å; S66-K68 PolarHBondContact OG-O 2.78Å; S66-S110 PolarHBondContact OG-N 3.42Å; S66-S110 PolarHBondContact OG-OG 2.82Å; S66-S110 VanDerWaalsContact OG-OG 3.1Å; S66-I111 PolarHBondContact N-O 3.34Å; S66-I111 PolarHBondContact OG-N 3.11Å; S66-I111 PolarHBondContact OG-O 3.42Å
67Q89.6Confident86.2Confident155 Ų15580.1 Ų80.172%0.72439%0.389SS*.SBendtrans-62.6-32.5168.9-62.9-179.9-3.300112.2Q69 I167Q67-Q69 WeakPolarHBondContact O-CG 3.42Å; Q67-Q69 PolarHBondContact O-N 2.9Å; Q67-Q69 PolarHBondContact O-NE2 2.86Å; Q67-I167 PolarHBondContact NE2-O 3.08Å
68K92.4Very high87.2Confident160 Ų16081.7 Ų81.770%0.69640%0.399SS*.  trans-60.8126.8174.4-175176.7-176.8175.60110.4S66 S110S66-K68 PolarHBondContact O-N 3.05Å; S66-K68 PolarHBondContact OG-O 2.78Å; K68-S110 WeakPolarHBondContact CB-OG 3.22Å; K68-S110 VanDerWaalsContact O-CB 3.26Å; K68-S110 WeakPolarHBondContact O-CB 3.33Å; K68-S110 PolarHBondContact O-N 2.95Å; K68-S110 PolarHBondContact O-OG 2.86Å
69Q92Very high88.1Confident86 Ų8677.7 Ų77.740%0.40238%0.384SS..EExtended strand (participates in β ladder)trans-104.7149.9-178.1-54.5-64.6-46.100111.8Q67 Y107 R108Q67-Q69 WeakPolarHBondContact O-CG 3.42Å; Q67-Q69 PolarHBondContact O-N 2.9Å; Q67-Q69 PolarHBondContact O-NE2 2.86Å; Q69-Y107 HydrophobicContact CB-CD1 4.28Å; Q69-R108 CarbonylContact C-O 3.53Å; Q69-R108 VanDerWaalsContact CA-O 3.27Å; Q69-R108 WeakPolarHBondContact CA-O 3.35Å; Q69-R108 VanDerWaalsContact OE1-CA 3.27Å; Q69-R108 PolarHBondContact OE1-O 3.47Å
70I90Very high88.9Confident39 Ų3981.9 Ų81.920%0.239%0.391CS..EExtended strand (participates in β ladder)trans-100.6155.5159.863.8168.6000110C72 Y107 R108 A134 V144I70-C72 VanDerWaalsContact CD1-SG 3.52Å; I70-Y107 VanDerWaalsContact O-CA 3.28Å; I70-Y107 WeakPolarHBondContact O-CA 3.39Å; I70-R108 HydrophobicContact CG1-CB 4.37Å; I70-R108 WeakPolarHBondContact CG1-O 3.49Å; I70-R108 PolarHBondContact N-O 3.49Å; I70-R108 PolarHBondContact O-N 3.3Å; I70-A134 HydrophobicContact CD1-CB 3.46Å; I70-A134 VanDerWaalsContact CD1-CB 3.46Å; I70-A134 HydrophobicContact CG1-CB 4.16Å; I70-V144 HydrophobicContact CD1-CG1 4.34Å
71R90.6Very high89.2Confident168 Ų16880 Ų8063%0.63438%0.384SS*.EExtended strand (participates in β ladder)trans-101.1115.6175.2-179.8-178172.4-178.71.3109.9P105 Y107 C136R71-P105 HydrophobicContact CG-CB 3.95Å; R71-Y107 HydrophobicContact CB-CD1 4.2Å; R71-Y107 HydrophobicContact CB-CE1 3.94Å; R71-Y107 HydrophobicContact CG-CE1 4.2Å; R71-C136 PolarHBondContact O-SG 2.98Å; R71-C136 VanDerWaalsContact O-SG 3.38Å
72C88.4Confident89.2Confident6 Ų679.2 Ų79.24%0.04139%0.388CS..EExtended strand (participates in β ladder)trans-117.5163.7171-57.40000110.2I70 P105 C106 C136 V144I70-C72 VanDerWaalsContact CD1-SG 3.52Å; C72-P105 CarbonylContact O-C 3.54Å; C72-P105 WeakPolarHBondContact O-CA 3.45Å; C72-C106 PolarHBondContact N-O 3.23Å; C72-C106 PolarHBondContact O-N 3.15Å; C72-C106 VanDerWaalsContact O-O 3.1Å; C72-C136 WeakPolarHBondContact CA-SG 3.46Å; C72-C136 HydrophobicContact CB-CB 3.83Å; C72-C136 WeakPolarHBondContact CB-SG 3.23Å; C72-C136 WeakPolarHBondContact SG-CB 3.38Å; C72-C136 CovalentContact SG-SG 2.04Å; C72-C136 PolarHBondContact SG-SG 3.49Å; C72-V144 HydrophobicContact CB-CG2 4.03Å; C72-V144 WeakPolarHBondContact SG-CG2 3.41Å
73A87.5Confident89Confident9 Ų982.5 Ų82.57%0.07440%0.402CS..EExtended strand (participates in β ladder)trans-75.6148.5165.700000107.8K104 T140 R141 R142A73-K104 WeakPolarHBondContact CA-O 3.49Å; A73-T140 WeakPolarHBondContact CB-O 3.22Å; A73-R141 PolarHBondContact N-O 3.46Å; A73-R142 HydrophobicContact CB-CG 4.16Å; A73-R142 WeakPolarHBondContact O-CA 3.25Å
74C83Confident88.5Confident63 Ų6381 Ų8143%0.42641%0.406SS..EExtended strand (participates in β ladder)trans-135.68166.377.80000113.7K104 C106C74-K104 PolarHBondContact N-O 3.01Å; C74-C106 HydrophobicContact CB-CB 3.68Å; C74-C106 WeakPolarHBondContact CB-SG 3.44Å; C74-C106 PolarHBondContact N-SG 2.99Å; C74-C106 VanDerWaalsContact N-SG 3.42Å; C74-C106 WeakPolarHBondContact SG-CB 3.26Å; C74-C106 CovalentContact SG-SG 2Å; C74-C106 PolarHBondContact SG-SG 3.29Å
75G84.7Confident87.6Confident18 Ų1884.4 Ų84.419%0.18642%0.418CS..EExtended strand (participates in β ladder)trans179.3-171.2176.500000112.5K104G75-K104 PolarHBondContact O-N 2.03Å
76I88Confident86.3Confident97 Ų9785.8 Ų85.850%0.49744%0.435SS..EExtended strand (participates in β ladder)trans-121.9132.9172.9-65.4169.4000107C101 H102 R142I76-C101 HydrophobicContact CG2-CB 3.66Å; I76-H102 CarbonylContact C-O 3.53Å; I76-H102 WeakPolarHBondContact CA-O 3.46Å; I76-R142 VanDerWaalsContact CG1-NH2 3.26Å
77K89.7Confident84.9Confident104 Ų10488.6 Ų88.645%0.45245%0.451SS..EExtended strand (participates in β ladder)trans-107.9129.1168.3-176.5177.9-179.3-176.50107.8C101 H102K77-C101 WeakPolarHBondContact O-CA 3.45Å; K77-H102 PolarHBondContact N-O 2.91Å; K77-H102 PolarHBondContact O-N 3.32Å; K77-H102 PolarHBondContact O-ND1 2.93Å
78C94.3Very high83.2Confident41 Ų4191.2 Ų91.228%0.27746%0.46SS..EExtended strand (participates in β ladder)trans-115.5144.9177.4-57.50000110.1R99 V100 C101C78-R99 HydrophobicContact CB-CG 4.12Å; C78-V100 CarbonylContact C-O 3.54Å; C78-V100 VanDerWaalsContact CA-O 3.31Å; C78-V100 WeakPolarHBondContact CA-O 3.24Å; C78-C101 HydrophobicContact CB-CB 4.1Å; C78-C101 WeakPolarHBondContact CB-SG 3.22Å; C78-C101 WeakPolarHBondContact SG-CB 3.2Å; C78-C101 CovalentContact SG-SG 2.04Å; C78-C101 PolarHBondContact SG-SG 3.24Å
79Q93.4Very high81.5Confident90 Ų9090.9 Ų90.942%0.42146%0.461SS..EExtended strand (participates in β ladder)trans-136.6145.4174.4-68.9175.3-32.700108.8V100Q79-V100 PolarHBondContact N-O 3.43Å; Q79-V100 PolarHBondContact O-N 2.83Å
80Y92.9Very high79.6Confident165 Ų16597.1 Ų97.165%0.64749%0.487SS*.EExtended strand (participates in β ladder)trans-84.5123.2170.2-73.6-82.3000108.5R99Y80-R99 HydrophobicContact CD1-CB 3.97Å; Y80-R99 HydrophobicContact CD1-CG 4.47Å; Y80-R99 HydrophobicContact CE1-CB 3.67Å; Y80-R99 HydrophobicContact CE1-CG 4.12Å
81L89.5Confident77.9Confident83 Ų8398.4 Ų98.444%0.43551%0.51SS..EExtended strand (participates in β ladder)trans-110.5116.8173.3-65.4178.7000107.9C97 R98 V100L81-C97 WeakPolarHBondContact O-CA 3.4Å; L81-R98 PolarHBondContact N-O 3.15Å; L81-R98 PolarHBondContact O-N 3.14Å; L81-V100 HydrophobicContact CB-CG2 4.48Å; L81-V100 HydrophobicContact CD1-CB 4.17Å; L81-V100 HydrophobicContact CD1-CG2 3.89Å; L81-V100 HydrophobicContact CG-CG2 4.36Å
82C87.7Confident76.2Confident72 Ų7299.4 Ų99.449%0.48652%0.522SS..EExtended strand (participates in β ladder)trans-98.4124.1174.7-58.70000109.1T96 C97C82-T96 WeakPolarHBondContact CA-O 3.48Å; C82-C97 HydrophobicContact CB-CB 4.1Å; C82-C97 WeakPolarHBondContact CB-SG 3.32Å; C82-C97 WeakPolarHBondContact SG-CB 3.1Å; C82-C97 CovalentContact SG-SG 2.04Å; C82-C97 PolarHBondContact SG-SG 3.18Å
83Q81.3Confident74.6Confident110 Ų110107.2 Ų107.251%0.51456%0.558SS.*EExtended strand (participates in β ladder)trans-108.3134.7172.8-68.3178.8-26.500107.9K85 K95 T96Q83-K85 PolarHBondContact O-N 3.03Å; Q83-K95 WeakPolarHBondContact O-CA 3.46Å; Q83-T96 PolarHBondContact N-O 2.96Å; Q83-T96 PolarHBondContact O-N 3.12Å; Q83-T96 PolarHBondContact O-OG1 2.86Å
84A78.7Confident73.6Confident63 Ų63108.2 Ų108.252%0.52157%0.569SS.*EExtended strand (participates in β ladder)trans-66.5128.2168.500000107.9T86A84-T86 PolarHBondContact O-N 3.32Å
85K68.3Low73.1Confident105 Ų105112.8 Ų112.846%0.45758%0.582SS.*  trans-60.3123.3169.6-81.2175.8169.5-174.90108.4Q83 T87 G94 T96Q83-K85 PolarHBondContact O-N 3.03Å; K85-T87 VanDerWaalsContact C-N 3.28Å; K85-G94 VanDerWaalsContact CB-O 3.29Å; K85-G94 WeakPolarHBondContact CB-O 3.46Å; K85-G94 WeakPolarHBondContact CD-O 3.46Å; K85-G94 WeakPolarHBondContact CG-O 3.39Å; K85-G94 PolarHBondContact N-O 3.04Å; K85-T96 HydrophobicContact CD-CG2 4.04Å; K85-T96 HydrophobicContact CG-CG2 3.87Å
86T62.5Low72.9Confident138 Ų138115.1 Ų115.185%0.84759%0.592SS**  trans-79.7-13.7174.246.90000112.4A84 K88A84-T86 PolarHBondContact O-N 3.32Å; T86-K88 PolarHBondContact O-N 3.35Å; T86-K88 VanDerWaalsContact O-N 3.08Å
87T58.3Low72.8Confident88 Ų88114 Ų11454%0.5459%0.592SS.*  trans-69.9105.6170.629.90000109.1K85 E89K85-T87 VanDerWaalsContact C-N 3.28Å; T87-E89 PolarHBondContact O-N 3.16Å
88K54.7Low72.8Confident210 Ų210116.2 Ų116.291%0.91360%0.598SS**  trans-66.850.6168.6-65.5-178.1177.2179.50111.1T86 K90T86-K88 PolarHBondContact O-N 3.35Å; T86-K88 VanDerWaalsContact O-N 3.08Å; K88-K90 PolarHBondContact O-N 3.25Å
89E56.3Low72.7Confident154 Ų154121.7 Ų121.772%0.7261%0.613SS**  trans-69128.8165.2-74.9-177.7170.800107.4T87 G91T87-E89 PolarHBondContact O-N 3.16Å; E89-G91 PolarHBondContact O-N 2.93Å; E89-G91 VanDerWaalsContact O-N 3.11Å
90K52.4Low72.7Confident216 Ų216119.9 Ų119.994%0.93961%0.607SS**SBendtrans-55.6112.3-171.4-66.6171.3173.8177.10110K88K88-K90 PolarHBondContact O-N 3.25Å
91G53.8Low72.6Confident66 Ų66115.2 Ų115.268%0.6860%0.598SS**SBendtrans111115.517300000112E89E89-G91 PolarHBondContact O-N 2.93Å; E89-G91 VanDerWaalsContact O-N 3.11Å
92E53.9Low72.5Confident190 Ų190115.2 Ų115.289%0.88860%0.596SS**  trans49114.4179.7-78.6179.4137.300115.7G94E92-G94 PolarHBondContact O-N 3.39Å
93Q55.2Low72.5Confident170 Ų170117.2 Ų117.279%0.79460%0.598SS**  trans-59.785.2166-68.9179.1-5.100109.5K95Q93-K95 PolarHBondContact O-N 2.77Å
94G66.2Low72.8Confident30 Ų30117.5 Ų117.531%0.30960%0.598SS.*  trans-61.6113.9179.500000108.4K85 E92 T96K85-G94 VanDerWaalsContact CB-O 3.29Å; K85-G94 WeakPolarHBondContact CB-O 3.46Å; K85-G94 WeakPolarHBondContact CD-O 3.46Å; K85-G94 WeakPolarHBondContact CG-O 3.39Å; K85-G94 PolarHBondContact N-O 3.04Å; E92-G94 PolarHBondContact O-N 3.39Å; G94-T96 PolarHBondContact O-N 2.89Å
95K73.2Confident73.3Confident159 Ų159116.9 Ų116.969%0.69159%0.589SS**EExtended strand (participates in β ladder)trans-75.1118.2169.8-68.3178.4-177.51740107.5Q83 Q93Q83-K95 WeakPolarHBondContact O-CA 3.46Å; Q93-K95 PolarHBondContact O-N 2.77Å
96T80.2Confident74.3Confident67 Ų67112.8 Ų112.841%0.41157%0.573SS.*EExtended strand (participates in β ladder)trans-87.7113.4168.7470000108.5C82 Q83 K85 G94C82-T96 WeakPolarHBondContact CA-O 3.48Å; Q83-T96 PolarHBondContact N-O 2.96Å; Q83-T96 PolarHBondContact O-N 3.12Å; Q83-T96 PolarHBondContact O-OG1 2.86Å; K85-T96 HydrophobicContact CD-CG2 4.04Å; K85-T96 HydrophobicContact CG-CG2 3.87Å; G94-T96 PolarHBondContact O-N 2.89Å
97C85.6Confident75.6Confident74 Ų74113.1 Ų113.150%0.556%0.56SS.*EExtended strand (participates in β ladder)trans-97.8129.9174.2-57.60000109.9L81 C82L81-C97 WeakPolarHBondContact O-CA 3.4Å; C82-C97 HydrophobicContact CB-CB 4.1Å; C82-C97 WeakPolarHBondContact CB-SG 3.32Å; C82-C97 WeakPolarHBondContact SG-CB 3.1Å; C82-C97 CovalentContact SG-SG 2.04Å; C82-C97 PolarHBondContact SG-SG 3.18Å
98R89.4Confident77.1Confident150 Ų150115.2 Ų115.257%0.56656%0.557SS**EExtended strand (participates in β ladder)trans-123.1143.6170.763.4177.4-178.7175.7-0.9110.7L81 V100L81-R98 PolarHBondContact N-O 3.15Å; L81-R98 PolarHBondContact O-N 3.14Å; R98-V100 HydrophobicContact CG-CG2 4Å; R98-V100 PolarHBondContact O-N 3.14Å
99R92.8Very high78.8Confident156 Ų156106.5 Ų106.559%0.58952%0.523SS*.EExtended strand (participates in β ladder)trans-80.8115.9172.7-170.6177.8177.8-179.40.2108.8C78 Y80C78-R99 HydrophobicContact CB-CG 4.12Å; Y80-R99 HydrophobicContact CD1-CB 3.97Å; Y80-R99 HydrophobicContact CD1-CG 4.47Å; Y80-R99 HydrophobicContact CE1-CB 3.67Å; Y80-R99 HydrophobicContact CE1-CG 4.12Å
100V93.2Very high80.6Confident51 Ų5199.7 Ų99.731%0.30949%0.492SS..EExtended strand (participates in β ladder)trans-107.2123.4175.9-1770000108.7C78 Q79 L81 R98C78-V100 CarbonylContact C-O 3.54Å; C78-V100 VanDerWaalsContact CA-O 3.31Å; C78-V100 WeakPolarHBondContact CA-O 3.24Å; Q79-V100 PolarHBondContact N-O 3.43Å; Q79-V100 PolarHBondContact O-N 2.83Å; L81-V100 HydrophobicContact CB-CG2 4.48Å; L81-V100 HydrophobicContact CD1-CB 4.17Å; L81-V100 HydrophobicContact CD1-CG2 3.89Å; L81-V100 HydrophobicContact CG-CG2 4.36Å; R98-V100 HydrophobicContact CG-CG2 4Å; R98-V100 PolarHBondContact O-N 3.14Å
101C91.6Very high82.5Confident68 Ų6891.5 Ų91.546%0.45946%0.458SS..EExtended strand (participates in β ladder)trans-113.1136.3-179.5-64.80000110.1I76 K77 C78I76-C101 HydrophobicContact CG2-CB 3.66Å; K77-C101 WeakPolarHBondContact O-CA 3.45Å; C78-C101 HydrophobicContact CB-CB 4.1Å; C78-C101 WeakPolarHBondContact CB-SG 3.22Å; C78-C101 WeakPolarHBondContact SG-CB 3.2Å; C78-C101 CovalentContact SG-SG 2.04Å; C78-C101 PolarHBondContact SG-SG 3.24Å
102H88Confident84.3Confident83 Ų8389.5 Ų89.538%0.38443%0.431SS..EExtended strand (participates in β ladder)trans-130.7154.1175.554.2-91.5000110.7I76 K77 K104I76-H102 CarbonylContact C-O 3.53Å; I76-H102 WeakPolarHBondContact CA-O 3.46Å; K77-H102 PolarHBondContact N-O 2.91Å; K77-H102 PolarHBondContact O-N 3.32Å; K77-H102 PolarHBondContact O-ND1 2.93Å; H102-K104 PolarHBondContact O-N 2.82Å
103Q86.4Confident86.1Confident113 Ų11383.8 Ų83.853%0.52840%0.403SS..EExtended strand (participates in β ladder)trans-68.8129.5175.1-69.1-175-5.300110P105Q103-P105 WeakPolarHBondContact O-CD 3.38Å
104K88.1Confident87.8Confident116 Ų11675.9 Ų75.950%0.50437%0.366SS..EExtended strand (participates in β ladder)trans-82.9117.8175-176.3179.9176.3-176.30109A73 C74 G75 H102A73-K104 WeakPolarHBondContact CA-O 3.49Å; C74-K104 PolarHBondContact N-O 3.01Å; G75-K104 PolarHBondContact O-N 2.03Å; H102-K104 PolarHBondContact O-N 2.82Å
105P89.1Confident88.9Confident51 Ų5175.8 Ų75.833%0.33136%0.357SS..EExtended strand (participates in β ladder)trans-77.2146.3174.333.8-34.9000110.7R71 C72 Q103R71-P105 HydrophobicContact CG-CB 3.95Å; C72-P105 CarbonylContact O-C 3.54Å; C72-P105 WeakPolarHBondContact O-CA 3.45Å; Q103-P105 WeakPolarHBondContact O-CD 3.38Å
106C89.1Confident89.7Confident18 Ų1869.2 Ų69.212%0.12233%0.329CS..EExtended strand (participates in β ladder)trans-140.1143.8-178.7-45.40000108.4C72 C74C72-C106 PolarHBondContact N-O 3.23Å; C72-C106 PolarHBondContact O-N 3.15Å; C72-C106 VanDerWaalsContact O-O 3.1Å; C74-C106 HydrophobicContact CB-CB 3.68Å; C74-C106 WeakPolarHBondContact CB-SG 3.44Å; C74-C106 PolarHBondContact N-SG 2.99Å; C74-C106 VanDerWaalsContact N-SG 3.42Å; C74-C106 WeakPolarHBondContact SG-CB 3.26Å; C74-C106 CovalentContact SG-SG 2Å; C74-C106 PolarHBondContact SG-SG 3.29Å
107Y90.7Very high89.9Confident146 Ų14667.5 Ų67.557%0.57332%0.315SS*.EExtended strand (participates in β ladder)trans-101.5132.9-177-63.5-81.7000109.7Q69 I70 R71Q69-Y107 HydrophobicContact CB-CD1 4.28Å; I70-Y107 VanDerWaalsContact O-CA 3.28Å; I70-Y107 WeakPolarHBondContact O-CA 3.39Å; R71-Y107 HydrophobicContact CB-CD1 4.2Å; R71-Y107 HydrophobicContact CB-CE1 3.94Å; R71-Y107 HydrophobicContact CG-CE1 4.2Å
108R88.6Confident89.8Confident131 Ų13166.3 Ų66.349%0.49431%0.308SS..EExtended strand (participates in β ladder)trans-132.8148.9179.6-64.4-65.2-168-172.52.6110.4Q69 I70 S110 V144Q69-R108 CarbonylContact C-O 3.53Å; Q69-R108 VanDerWaalsContact CA-O 3.27Å; Q69-R108 WeakPolarHBondContact CA-O 3.35Å; Q69-R108 VanDerWaalsContact OE1-CA 3.27Å; Q69-R108 PolarHBondContact OE1-O 3.47Å; I70-R108 HydrophobicContact CG1-CB 4.37Å; I70-R108 WeakPolarHBondContact CG1-O 3.49Å; I70-R108 PolarHBondContact N-O 3.49Å; I70-R108 PolarHBondContact O-N 3.3Å; R108-S110 PolarHBondContact O-N 3.3Å; R108-V144 HydrophobicContact CB-CG1 4.45Å; R108-V144 HydrophobicContact CB-CG2 3.98Å; R108-V144 HydrophobicContact CG-CB 4.5Å; R108-V144 HydrophobicContact CG-CG2 3.67Å
109P92Very high89.3Confident28 Ų2862.4 Ų62.418%0.18230%0.297CS..EExtended strand (participates in β ladder)trans-58.5127.7-178.4-25.934.4000111.8F65 I111 A134 Y146F65-P109 HydrophobicContact CB-CB 3.77Å; F65-P109 HydrophobicContact CB-CG 3.89Å; F65-P109 HydrophobicContact CD1-CB 3.94Å; F65-P109 HydrophobicContact CD1-CG 4.06Å; F65-P109 HydrophobicContact CG-CB 4.26Å; F65-P109 HydrophobicContact CG-CG 4.19Å; P109-I111 VanDerWaalsContact C-N 3.31Å; P109-I111 PolarHBondContact O-N 3.07Å; P109-A134 VanDerWaalsContact O-CB 3.27Å; P109-A134 WeakPolarHBondContact O-CB 3.49Å; P109-Y146 WeakPolarHBondContact O-CE1 3.47Å; P109-Y146 PolarHBondContact O-OH 3.36Å
110S92.7Very high88.5Confident11 Ų1156.8 Ų56.88%0.07728%0.284CS..SBendtrans-69.4-29.8-175.565.60000113.5S66 K68 R108 A134S66-S110 PolarHBondContact OG-N 3.42Å; S66-S110 PolarHBondContact OG-OG 2.82Å; S66-S110 VanDerWaalsContact OG-OG 3.1Å; K68-S110 WeakPolarHBondContact CB-OG 3.22Å; K68-S110 VanDerWaalsContact O-CB 3.26Å; K68-S110 WeakPolarHBondContact O-CB 3.33Å; K68-S110 PolarHBondContact O-N 2.95Å; K68-S110 PolarHBondContact O-OG 2.86Å; R108-S110 PolarHBondContact O-N 3.3Å; S110-A134 WeakPolarHBondContact O-CB 3.2Å; S110-A134 PolarHBondContact O-N 3.47Å
111I92.9Very high87.5Confident43 Ų4355.6 Ų55.622%0.22128%0.283CS..EExtended strand (participates in β ladder)trans-131.3137.3-177.8-56.8175.6000108.6S66 P109 K113 T131 Y132S66-I111 PolarHBondContact N-O 3.34Å; S66-I111 PolarHBondContact OG-N 3.11Å; S66-I111 PolarHBondContact OG-O 3.42Å; P109-I111 VanDerWaalsContact C-N 3.31Å; P109-I111 PolarHBondContact O-N 3.07Å; I111-K113 HydrophobicContact CG2-CG 4.14Å; I111-T131 HydrophobicContact CG2-CG2 3.47Å; I111-T131 VanDerWaalsContact CG2-CG2 3.47Å; I111-Y132 WeakPolarHBondContact CA-O 3.34Å
112H91.3Very high86.7Confident24 Ų2454 Ų5411%0.11128%0.277CS..EExtended strand (participates in β ladder)trans-121.6123.8170.5170.2-141.8000107.7H63 T64 F65 Y132 Y146H63-H112 WeakPolarHBondContact CB-NE2 3.09Å; H63-H112 AromaticContact CG-NE2 3.56Å; H63-H112 AromaticContact ND1-CE1 3.32Å; H63-H112 PolarHBondContact ND1-CE1 3.43Å; H63-H112 VanDerWaalsContact ND1-CE1 3.32Å; H63-H112 AromaticContact ND1-NE2 2.9Å; H63-H112 PolarHBondContact ND1-NE2 3.1Å; T64-H112 CarbonylContact O-C 3.56Å; T64-H112 WeakPolarHBondContact O-CA 3.17Å; T64-H112 PolarHBondContact O-CD2 3.14Å; F65-H112 HydrophobicContact CD1-CB 3.94Å; F65-H112 AromaticContact CD1-CD2 3.88Å; F65-H112 HydrophobicContact CE1-CB 3.87Å; F65-H112 AromaticContact CE1-CD2 3.42Å; F65-H112 VanDerWaalsContact CE1-CD2 3.42Å; F65-H112 WeakPolarHBondContact CE1-CD2 3.41Å; F65-H112 AromaticContact CE1-CG 3.63Å; F65-H112 AromaticContact CZ-CD2 3.67Å; F65-H112 AromaticContact CZ-NE2 3.9Å; H112-Y132 PolarHBondContact N-O 3.38Å; H112-Y132 WeakPolarHBondContact O-CB 3.41Å; H112-Y132 PolarHBondContact O-N 3.26Å; H112-Y146 HydrophobicContact CB-CD1 3.48Å; H112-Y146 VanDerWaalsContact CB-CD1 3.48Å; H112-Y146 HydrophobicContact CB-CE1 3.44Å; H112-Y146 VanDerWaalsContact CB-CE1 3.44Å; H112-Y146 HydrophobicContact CB-CG 4.17Å
113K92.1Very high86.1Confident70 Ų7053.8 Ų53.830%0.30428%0.279SS..EExtended strand (participates in β ladder)trans-109.6134.3176.2-68.4-179.3-178.7173.80109.3H63 T64 I111 Y115 V129 C130 T131H63-K113 WeakPolarHBondContact CA-O 3.3Å; T64-K113 PolarHBondContact N-O 3.45Å; T64-K113 PolarHBondContact O-N 3.4Å; I111-K113 HydrophobicContact CG2-CG 4.14Å; K113-Y115 HydrophobicContact CB-CD2 4.28Å; K113-Y115 HydrophobicContact CB-CE2 3.55Å; K113-Y115 HydrophobicContact CD-CE2 4.3Å; K113-Y115 WeakPolarHBondContact CD-OH 3.3Å; K113-V129 HydrophobicContact CB-CG1 4.42Å; K113-C130 CarbonylContact C-O 3.48Å; K113-C130 WeakPolarHBondContact CA-O 3.39Å; K113-T131 HydrophobicContact CG-CG2 4.13Å
114V90.6Very high85.6Confident5 Ų551.2 Ų51.23%0.0327%0.273CS..EExtended strand (participates in β ladder)trans-114115.8174.7-170.80000107.4Q61 I62 H116 V129 C130 Y132Q61-V114 HydrophobicContact CB-CG1 4.09Å; I62-V114 WeakPolarHBondContact O-CA 3.27Å; V114-H116 WeakPolarHBondContact CG1-NE2 3.27Å; V114-H116 PolarHBondContact O-CD2 3.5Å; V114-V129 WeakPolarHBondContact O-CA 3.22Å; V114-C130 PolarHBondContact N-O 2.92Å; V114-C130 PolarHBondContact O-N 3.4Å; V114-Y132 HydrophobicContact CB-CE2 4.22Å; V114-Y132 HydrophobicContact CG2-CD2 4.08Å; V114-Y132 HydrophobicContact CG2-CE2 3.67Å
115Y89.3Confident85.2Confident28 Ų2847.7 Ų47.711%0.1126%0.256CS..EExtended strand (participates in β ladder)trans-97.8116.2177.2-61-104.1000106.1Q61 I62 T64 K113 M126 V129 W163Q61-Y115 CarbonylContact C-O 3.52Å; Q61-Y115 VanDerWaalsContact CA-O 3.3Å; Q61-Y115 WeakPolarHBondContact CA-O 3.2Å; I62-Y115 PolarHBondContact N-O 3.42Å; I62-Y115 PolarHBondContact O-N 2.77Å; T64-Y115 HydrophobicContact CG2-CD2 4.24Å; T64-Y115 HydrophobicContact CG2-CE2 3.79Å; T64-Y115 WeakPolarHBondContact OG1-CE2 3.48Å; K113-Y115 HydrophobicContact CB-CD2 4.28Å; K113-Y115 HydrophobicContact CB-CE2 3.55Å; K113-Y115 HydrophobicContact CD-CE2 4.3Å; K113-Y115 WeakPolarHBondContact CD-OH 3.3Å; Y115-M126 HydrophobicContact CD1-SD 3.57Å; Y115-M126 VanDerWaalsContact CD1-SD 3.57Å; Y115-M126 HydrophobicContact CE1-SD 4.39Å; Y115-M126 HydrophobicContact CG-SD 4.47Å; Y115-V129 HydrophobicContact CD1-CB 4.25Å; Y115-V129 HydrophobicContact CD1-CG1 3.82Å; Y115-V129 HydrophobicContact CD1-CG2 3.43Å; Y115-V129 VanDerWaalsContact CD1-CG2 3.43Å; Y115-V129 HydrophobicContact CD2-CG1 4.49Å; Y115-V129 HydrophobicContact CE1-CB 4.43Å; Y115-V129 HydrophobicContact CE1-CG1 3.72Å; Y115-V129 HydrophobicContact CE1-CG2 3.77Å; Y115-V129 HydrophobicContact CE2-CG1 4.36Å; Y115-V129 HydrophobicContact CG-CG1 4.23Å; Y115-V129 HydrophobicContact CG-CG2 4.27Å; Y115-W163 AromaticContact CD2-CH2 3.64Å; Y115-W163 HydrophobicContact CD2-CH2 3.64Å; Y115-W163 HydrophobicContact CD2-CZ2 4.21Å; Y115-W163 HydrophobicContact CE2-CH2 4.26Å; Y115-W163 AromaticContact CG-CH2 3.87Å; Y115-W163 HydrophobicContact CG-CH2 3.87Å; Y115-W163 AromaticContact CG-CZ2 3.95Å; Y115-W163 HydrophobicContact CG-CZ2 3.95Å
116H89.2Confident84.9Confident21 Ų2145.7 Ų45.710%0.09724%0.243CC..EExtended strand (participates in β ladder)trans-102.9144.8178.8-48.7-117.2000110.2Q60 Q61 V114 M126 W127 N128Q60-H116 CarbonylContact O-C 3.53Å; Q60-H116 VanDerWaalsContact O-CA 3.3Å; Q60-H116 WeakPolarHBondContact O-CA 3.4Å; Q61-H116 VanDerWaalsContact CD-CE1 3.45Å; Q61-H116 HydrophobicContact CG-CB 4.4Å; Q61-H116 WeakPolarHBondContact CG-ND1 3.49Å; Q61-H116 PolarHBondContact NE2-CE1 3.45Å; Q61-H116 PolarHBondContact NE2-ND1 3.5Å; Q61-H116 VanDerWaalsContact NE2-ND1 3.14Å; V114-H116 WeakPolarHBondContact CG1-NE2 3.27Å; V114-H116 PolarHBondContact O-CD2 3.5Å; H116-M126 CarbonylContact O-C 3.46Å; H116-M126 WeakPolarHBondContact O-CA 3.16Å; H116-W127 VanDerWaalsContact CB-CD1 3.48Å; H116-W127 HydrophobicContact CB-CD2 4.35Å; H116-W127 VanDerWaalsContact CB-CE2 3.49Å; H116-W127 HydrophobicContact CB-CG 4.32Å; H116-W127 HydrophobicContact CB-CZ2 4.01Å; H116-W127 AromaticContact CG-NE1 3.88Å; H116-W127 VanDerWaalsContact O-CD1 3.27Å; H116-W127 PolarHBondContact O-N 3.47Å; H116-N128 WeakPolarHBondContact CB-OD1 3.4Å; H116-N128 PolarHBondContact CD2-OD1 3.48Å; H116-N128 PolarHBondContact N-O 3.28Å
117Y85.7Confident84.6Confident30 Ų3050.1 Ų50.112%0.11826%0.257CS..EExtended strand (participates in β ladder)trans-122.9141.2-176.4-65.6-100.2000109.8C57 Q60 I62 R125 M126 W163C57-Y117 WeakPolarHBondContact SG-CB 3.27Å; Q60-Y117 PolarHBondContact O-N 3.2Å; I62-Y117 HydrophobicContact CD1-CD2 4.34Å; I62-Y117 HydrophobicContact CD1-CE2 3.81Å; I62-Y117 HydrophobicContact CG1-CD2 4.48Å; I62-Y117 HydrophobicContact CG1-CE2 4.18Å; Y117-R125 WeakPolarHBondContact CA-O 3.33Å; Y117-M126 HydrophobicContact CD1-CB 4Å; Y117-M126 HydrophobicContact CE1-CB 3.59Å; Y117-M126 HydrophobicContact CE1-CG 4.25Å; Y117-W163 AromaticContact CE2-CZ2 3.81Å; Y117-W163 HydrophobicContact CE2-CZ2 3.81Å; Y117-W163 AromaticContact CZ-CZ2 3.9Å; Y117-W163 AromaticContact CZ-NE1 3.54Å; Y117-W163 VanDerWaalsContact OH-CE2 3.25Å; Y117-W163 VanDerWaalsContact OH-CZ2 3.22Å; Y117-W163 WeakPolarHBondContact OH-CZ2 3.42Å; Y117-W163 PolarHBondContact OH-NE1 3.15Å
118S82.9Confident84.4Confident50 Ų5043.5 Ų43.535%0.3523%0.231SC..EExtended strand (participates in β ladder)trans-136.6150.6175.863.70000109.2A120 R125S118-A120 PolarHBondContact O-N 3.19Å; S118-R125 PolarHBondContact N-O 3.03Å; S118-R125 PolarHBondContact O-N 3.46Å; S118-R125 VanDerWaalsContact O-O 3.12Å
119L79.2Confident84.4Confident67 Ų6738.2 Ų38.235%0.35121%0.214SC..EExtended strand (participates in β ladder)trans-69.3128.3171.4-163.584.1000109.7P55 C57 L123P55-L119 HydrophobicContact CB-CD1 3.78Å; P55-L119 HydrophobicContact CB-CD2 3.86Å; P55-L119 HydrophobicContact CB-CG 4.46Å; P55-L119 HydrophobicContact CG-CD1 4.47Å; P55-L119 HydrophobicContact CG-CD2 3.73Å; P55-L119 WeakPolarHBondContact O-CD2 3.48Å; C57-L119 HydrophobicContact CB-CB 4.44Å; L119-L123 WeakPolarHBondContact CA-O 3.15Å
120A75.7Confident84.5Confident38 Ų3837.4 Ų37.431%0.31421%0.208SC..EExtended strand (participates in β ladder)trans-145.8117.3172.800000109.6S118 L123S118-A120 PolarHBondContact O-N 3.19Å; A120-L123 PolarHBondContact N-O 3.31Å; A120-L123 PolarHBondContact O-N 2.98Å
121G72Confident84.5Confident27 Ų2738 Ų3828%0.27821%0.211SC..THydrogen-bonded Turntrans60.746.5-175.400000112.5L123G121-L123 PolarHBondContact O-N 3.34Å
122G74.8Confident84.7Confident33 Ų3338.7 Ų38.734%0.3421%0.212SC..THydrogen-bonded Turntrans73.1-9.2-179.100000115.9
123L75.4Confident84.8Confident80 Ų8041.2 Ų41.242%0.41922%0.223SC..EExtended strand (participates in β ladder)trans-109.7138.7-177.4-64.5172000112L119 A120 G121 R125L119-L123 WeakPolarHBondContact CA-O 3.15Å; A120-L123 PolarHBondContact N-O 3.31Å; A120-L123 PolarHBondContact O-N 2.98Å; G121-L123 PolarHBondContact O-N 3.34Å; L123-R125 HydrophobicContact CB-CG 4.11Å; L123-R125 PolarHBondContact O-N 2.81Å; L123-R125 VanDerWaalsContact O-N 3.12Å
124C76.1Confident84.8Confident59 Ų5938.4 Ų38.440%0.39921%0.213SC..EExtended strand (participates in β ladder)trans-76.597.8173.8-1770000108.8C57C57-C124 WeakPolarHBondContact CA-SG 3.33Å; C57-C124 HydrophobicContact CB-CB 3.79Å; C57-C124 WeakPolarHBondContact CB-SG 3.48Å; C57-C124 WeakPolarHBondContact SG-CB 3.48Å; C57-C124 CovalentContact SG-SG 2.03Å; C57-C124 PolarHBondContact SG-SG 3.45Å
125R80Confident84.9Confident41 Ų4143.5 Ų43.516%0.15524%0.235CC..EExtended strand (participates in β ladder)trans-108.2143.5-174.4-67.3-179.1177-178.7-3109.9Y117 S118 L123 W127Y117-R125 WeakPolarHBondContact CA-O 3.33Å; S118-R125 PolarHBondContact N-O 3.03Å; S118-R125 PolarHBondContact O-N 3.46Å; S118-R125 VanDerWaalsContact O-O 3.12Å; L123-R125 HydrophobicContact CB-CG 4.11Å; L123-R125 PolarHBondContact O-N 2.81Å; L123-R125 VanDerWaalsContact O-N 3.12Å; R125-W127 PolarHBondContact O-N 2.71Å
126M82.3Confident84.9Confident10 Ų1043.9 Ų43.95%0.04924%0.241CC..EExtended strand (participates in β ladder)trans-62.4127.3171.6-171.3174.367.600109.3Y115 H116 Y117 V129 A154 Q158 R159Y115-M126 HydrophobicContact CD1-SD 3.57Å; Y115-M126 VanDerWaalsContact CD1-SD 3.57Å; Y115-M126 HydrophobicContact CE1-SD 4.39Å; Y115-M126 HydrophobicContact CG-SD 4.47Å; H116-M126 CarbonylContact O-C 3.46Å; H116-M126 WeakPolarHBondContact O-CA 3.16Å; Y117-M126 HydrophobicContact CD1-CB 4Å; Y117-M126 HydrophobicContact CE1-CB 3.59Å; Y117-M126 HydrophobicContact CE1-CG 4.25Å; M126-V129 HydrophobicContact CE-CG2 4Å; M126-V129 HydrophobicContact CG-CG2 4.38Å; M126-V129 HydrophobicContact SD-CG2 3.57Å; M126-V129 VanDerWaalsContact SD-CG2 3.57Å; M126-A154 HydrophobicContact CB-CB 4.13Å; M126-A154 HydrophobicContact CE-CB 3.45Å; M126-A154 VanDerWaalsContact CE-CB 3.45Å; M126-A154 HydrophobicContact CG-CB 3.85Å; M126-A154 VanDerWaalsContact O-CB 3.29Å; M126-A154 WeakPolarHBondContact O-CB 3.19Å; M126-A154 HydrophobicContact SD-CB 4.37Å; M126-Q158 HydrophobicContact CE-CB 3.65Å; M126-Q158 WeakPolarHBondContact CE-O 3.49Å; M126-R159 WeakPolarHBondContact O-CG 3.41Å
127W82.7Confident84.8Confident111 Ų11146.3 Ų46.342%0.4225%0.252SS..EExtended strand (participates in β ladder)trans-102.2-37.7-178.677.4-101.8000112.3H116 R125 R153 A154H116-W127 VanDerWaalsContact CB-CD1 3.48Å; H116-W127 HydrophobicContact CB-CD2 4.35Å; H116-W127 VanDerWaalsContact CB-CE2 3.49Å; H116-W127 HydrophobicContact CB-CG 4.32Å; H116-W127 HydrophobicContact CB-CZ2 4.01Å; H116-W127 AromaticContact CG-NE1 3.88Å; H116-W127 VanDerWaalsContact O-CD1 3.27Å; H116-W127 PolarHBondContact O-N 3.47Å; R125-W127 PolarHBondContact O-N 2.71Å; W127-R153 CarbonylContact O-C 3.56Å; W127-R153 WeakPolarHBondContact O-CA 3.29Å; W127-R153 WeakPolarHBondContact O-CG 3.18Å; W127-A154 PolarHBondContact O-N 3.31Å
128N87.2Confident84.5Confident6 Ų647 Ų473%0.03227%0.268CS..EExtended strand (participates in β ladder)trans-150.7168.9173.370.3-10.1000111.8H116 C130 C151 R152H116-N128 WeakPolarHBondContact CB-OD1 3.4Å; H116-N128 PolarHBondContact CD2-OD1 3.48Å; H116-N128 PolarHBondContact N-O 3.28Å; N128-C130 PolarHBondContact ND2-SG 2.86Å; N128-C130 VanDerWaalsContact ND2-SG 3.43Å; N128-C151 PolarHBondContact ND2-SG 2.92Å; N128-R152 CarbonylContact C-O 3.6Å; N128-R152 WeakPolarHBondContact CA-O 3.47Å; N128-R152 VanDerWaalsContact CB-O 3.27Å; N128-R152 WeakPolarHBondContact CB-O 3.31Å
129V88.4Confident84.2Confident21 Ų2155.2 Ų55.213%0.12730%0.298CS..EExtended strand (participates in β ladder)trans-129.7116.6168-173.20000107.5K113 V114 Y115 M126 C151 R152K113-V129 HydrophobicContact CB-CG1 4.42Å; V114-V129 WeakPolarHBondContact O-CA 3.22Å; Y115-V129 HydrophobicContact CD1-CB 4.25Å; Y115-V129 HydrophobicContact CD1-CG1 3.82Å; Y115-V129 HydrophobicContact CD1-CG2 3.43Å; Y115-V129 VanDerWaalsContact CD1-CG2 3.43Å; Y115-V129 HydrophobicContact CD2-CG1 4.49Å; Y115-V129 HydrophobicContact CE1-CB 4.43Å; Y115-V129 HydrophobicContact CE1-CG1 3.72Å; Y115-V129 HydrophobicContact CE1-CG2 3.77Å; Y115-V129 HydrophobicContact CE2-CG1 4.36Å; Y115-V129 HydrophobicContact CG-CG1 4.23Å; Y115-V129 HydrophobicContact CG-CG2 4.27Å; M126-V129 HydrophobicContact CE-CG2 4Å; M126-V129 HydrophobicContact CG-CG2 4.38Å; M126-V129 HydrophobicContact SD-CG2 3.57Å; M126-V129 VanDerWaalsContact SD-CG2 3.57Å; V129-C151 WeakPolarHBondContact O-CA 3.44Å; V129-R152 PolarHBondContact N-O 3.48Å; V129-R152 PolarHBondContact O-N 2.85Å
130C93.1Very high83.9Confident10 Ų1054.6 Ų54.67%0.06830%0.297CS..EExtended strand (participates in β ladder)trans-98130.6171.8-61.80000109.3K113 V114 N128 Y132 L148 S150 C151K113-C130 CarbonylContact C-O 3.48Å; K113-C130 WeakPolarHBondContact CA-O 3.39Å; V114-C130 PolarHBondContact N-O 2.92Å; V114-C130 PolarHBondContact O-N 3.4Å; N128-C130 PolarHBondContact ND2-SG 2.86Å; N128-C130 VanDerWaalsContact ND2-SG 3.43Å; C130-Y132 HydrophobicContact CB-CE2 3.68Å; C130-L148 HydrophobicContact CB-CD1 3.95Å; C130-S150 CarbonylContact C-O 3.56Å; C130-S150 WeakPolarHBondContact CA-O 3.44Å; C130-C151 WeakPolarHBondContact CA-SG 3.45Å; C130-C151 HydrophobicContact CB-CB 3.86Å; C130-C151 WeakPolarHBondContact CB-SG 3.24Å; C130-C151 WeakPolarHBondContact SG-CB 3.48Å; C130-C151 CovalentContact SG-SG 2.05Å; C130-C151 PolarHBondContact SG-SG 2.87Å
131T94Very high83.7Confident24 Ų2460.9 Ų60.915%0.14731%0.313CS..EExtended strand (participates in β ladder)trans-108.8132.8177.7-57.20000109I111 K113 S149 S150I111-T131 HydrophobicContact CG2-CG2 3.47Å; I111-T131 VanDerWaalsContact CG2-CG2 3.47Å; K113-T131 HydrophobicContact CG-CG2 4.13Å; T131-S149 WeakPolarHBondContact O-CA 3.48Å; T131-S149 VanDerWaalsContact O-CB 3.24Å; T131-S149 WeakPolarHBondContact O-CB 3.43Å; T131-S149 PolarHBondContact O-N 3.35Å; T131-S150 PolarHBondContact N-O 3.43Å; T131-S150 PolarHBondContact O-N 3.03Å
132Y96.2Very high83.7Confident58 Ų5864 Ų6423%0.22732%0.316CS..EExtended strand (participates in β ladder)trans-120.4138.8179-59.8-103.2000110.1I111 H112 V114 C130 H147 L148I111-Y132 WeakPolarHBondContact CA-O 3.34Å; H112-Y132 PolarHBondContact N-O 3.38Å; H112-Y132 WeakPolarHBondContact O-CB 3.41Å; H112-Y132 PolarHBondContact O-N 3.26Å; V114-Y132 HydrophobicContact CB-CE2 4.22Å; V114-Y132 HydrophobicContact CG2-CD2 4.08Å; V114-Y132 HydrophobicContact CG2-CE2 3.67Å; C130-Y132 HydrophobicContact CB-CE2 3.68Å; Y132-H147 CarbonylContact C-O 3.56Å; Y132-H147 WeakPolarHBondContact CA-O 3.46Å; Y132-L148 VanDerWaalsContact CD1-CA 3.48Å; Y132-L148 HydrophobicContact CD1-CB 3.98Å; Y132-L148 HydrophobicContact CD1-CD1 4.16Å; Y132-L148 HydrophobicContact CE1-CB 3.78Å; Y132-L148 HydrophobicContact CE1-CD1 3.69Å; Y132-L148 HydrophobicContact CE1-CG 4.32Å; Y132-L148 HydrophobicContact CE2-CD1 4.08Å
133H94.7Very high83.9Confident77 Ų7771.1 Ų71.136%0.35633%0.333SS..EExtended strand (participates in β ladder)trans-100.6132.2173.4-74.6-59.2000111.1Y146 H147 S149H133-Y146 WeakPolarHBondContact O-CA 3.39Å; H133-H147 PolarHBondContact N-O 3.2Å; H133-H147 PolarHBondContact O-N 2.97Å; H133-S149 WeakPolarHBondContact CD2-CB 3.47Å; H133-S149 PolarHBondContact CD2-OG 3.2Å; H133-S149 PolarHBondContact NE2-OG 3.12Å
134A92.3Very high84.3Confident11 Ų1169.3 Ų69.39%0.09133%0.325CS..EExtended strand (participates in β ladder)trans-72.5135.1172.200000110.9I70 P109 S110 V144 Q145 Y146I70-A134 HydrophobicContact CD1-CB 3.46Å; I70-A134 VanDerWaalsContact CD1-CB 3.46Å; I70-A134 HydrophobicContact CG1-CB 4.16Å; P109-A134 VanDerWaalsContact O-CB 3.27Å; P109-A134 WeakPolarHBondContact O-CB 3.49Å; S110-A134 WeakPolarHBondContact O-CB 3.2Å; S110-A134 PolarHBondContact O-N 3.47Å; A134-V144 HydrophobicContact CB-CG1 3.68Å; A134-Q145 CarbonylContact C-O 3.58Å; A134-Q145 WeakPolarHBondContact CA-O 3.49Å; A134-Y146 HydrophobicContact CB-CD1 3.97Å; A134-Y146 HydrophobicContact CB-CE1 3.58Å
135K91.7Very high84.9Confident112 Ų11271.3 Ų71.349%0.48733%0.328SS..EExtended strand (participates in β ladder)trans-129.2143169.6-65.5-174-177.2176.30110E137 V144 Q145K135-E137 PolarHBondContact O-N 2.89Å; K135-V144 WeakPolarHBondContact O-CA 3.27Å; K135-Q145 PolarHBondContact N-O 3.18Å; K135-Q145 PolarHBondContact O-N 3.25Å
136C90.2Very high85.5Confident35 Ų3572.8 Ų72.824%0.23634%0.335CS..EExtended strand (participates in β ladder)trans-84.1110.4172.8-440000109R71 C72 R141 W143R71-C136 PolarHBondContact O-SG 2.98Å; R71-C136 VanDerWaalsContact O-SG 3.38Å; C72-C136 WeakPolarHBondContact CA-SG 3.46Å; C72-C136 HydrophobicContact CB-CB 3.83Å; C72-C136 WeakPolarHBondContact CB-SG 3.23Å; C72-C136 WeakPolarHBondContact SG-CB 3.38Å; C72-C136 CovalentContact SG-SG 2.04Å; C72-C136 PolarHBondContact SG-SG 3.49Å; C136-R141 HydrophobicContact CB-CB 3.83Å; C136-R141 HydrophobicContact CB-CG 4.32Å; C136-W143 CarbonylContact C-O 3.56Å; C136-W143 WeakPolarHBondContact CA-O 3.42Å
137E85.8Confident86Confident72 Ų7275.4 Ų75.434%0.33635%0.347SS..EExtended strand (participates in β ladder)trans-104.4159-174.8-74.1-64.5158.900112.9K135 R141 R142 W143 Q145 H147K135-E137 PolarHBondContact O-N 2.89Å; E137-R141 WeakPolarHBondContact O-CA 3.41Å; E137-R142 PolarHBondContact O-N 3Å; E137-W143 PolarHBondContact N-O 3.42Å; E137-W143 PolarHBondContact O-N 3.47Å; E137-Q145 HydrophobicContact CB-CG 4.21Å; E137-Q145 HydrophobicContact CG-CB 4.01Å; E137-Q145 HydrophobicContact CG-CG 4.1Å; E137-H147 IonicContact OE1-NE2 3.86Å
138G80.2Confident86.5Confident44 Ų4475.1 Ų75.145%0.45435%0.353SS..THydrogen-bonded Turntrans84.7162.5-178.500000114.6T140 R141G138-T140 PolarHBondContact O-N 3.3Å; G138-T140 VanDerWaalsContact O-N 3.13Å; G138-R141 PolarHBondContact O-N 2.94Å
139K76Confident86.8Confident223 Ų22377.8 Ų77.897%0.9737%0.372SS*.THydrogen-bonded Turntrans-53.6-37.7-176.9-68.6-174179.8-178.90113.1
140T72.5Confident87Confident55 Ų5578.5 Ų78.534%0.33738%0.378SS..THydrogen-bonded Turntrans-93.26.2179.157.90000113.6A73 G138 R142A73-T140 WeakPolarHBondContact CB-O 3.22Å; G138-T140 PolarHBondContact O-N 3.3Å; G138-T140 VanDerWaalsContact O-N 3.13Å; T140-R142 PolarHBondContact O-N 3.01Å; T140-R142 VanDerWaalsContact O-N 3.16Å; T140-R142 WeakPolarHBondContact OG1-CD 3.33Å; T140-R142 WeakPolarHBondContact OG1-CG 3.4Å
141R72.5Confident87Confident170 Ų17080.8 Ų80.864%0.64239%0.393SS*.THydrogen-bonded Turntrans48.640.3-177-64.2-175.7178.3174.40.4113.4A73 C136 E137 G138A73-R141 PolarHBondContact N-O 3.46Å; C136-R141 HydrophobicContact CB-CB 3.83Å; C136-R141 HydrophobicContact CB-CG 4.32Å; E137-R141 WeakPolarHBondContact O-CA 3.41Å; G138-R141 PolarHBondContact O-N 2.94Å
142R71.8Confident86.7Confident91 Ų9188.4 Ų88.434%0.34342%0.419SS..  trans-90.5-27.6-172.7-80.6-176.6-168.3175.99.9114.2A73 I76 E137 T140A73-R142 HydrophobicContact CB-CG 4.16Å; A73-R142 WeakPolarHBondContact O-CA 3.25Å; I76-R142 VanDerWaalsContact CG1-NH2 3.26Å; E137-R142 PolarHBondContact O-N 3Å; T140-R142 PolarHBondContact O-N 3.01Å; T140-R142 VanDerWaalsContact O-N 3.16Å; T140-R142 WeakPolarHBondContact OG1-CD 3.33Å; T140-R142 WeakPolarHBondContact OG1-CG 3.4Å
143W78.2Confident86.2Confident184 Ų18495 Ų9570%0.69744%0.443SS*.EExtended strand (participates in β ladder)trans-99.2132.5-173.5-56.4106000108.9C136 E137C136-W143 CarbonylContact C-O 3.56Å; C136-W143 WeakPolarHBondContact CA-O 3.42Å; E137-W143 PolarHBondContact N-O 3.42Å; E137-W143 PolarHBondContact O-N 3.47Å
144V84.1Confident85.2Confident41 Ų4191.4 Ų91.425%0.24843%0.427CS..EExtended strand (participates in β ladder)trans-96.8118.4169.6-179.60000108.1I70 C72 R108 A134 K135 Y146I70-V144 HydrophobicContact CD1-CG1 4.34Å; C72-V144 HydrophobicContact CB-CG2 4.03Å; C72-V144 WeakPolarHBondContact SG-CG2 3.41Å; R108-V144 HydrophobicContact CB-CG1 4.45Å; R108-V144 HydrophobicContact CB-CG2 3.98Å; R108-V144 HydrophobicContact CG-CB 4.5Å; R108-V144 HydrophobicContact CG-CG2 3.67Å; A134-V144 HydrophobicContact CB-CG1 3.68Å; K135-V144 WeakPolarHBondContact O-CA 3.27Å; V144-Y146 HydrophobicContact CG1-CE2 4.21Å
145Q89.5Confident84Confident101 Ų10196 Ų9647%0.47245%0.45SS..EExtended strand (participates in β ladder)trans-109.6137.5172.6-68.3-170.8-10.600109.4A134 K135 E137A134-Q145 CarbonylContact C-O 3.58Å; A134-Q145 WeakPolarHBondContact CA-O 3.49Å; K135-Q145 PolarHBondContact N-O 3.18Å; K135-Q145 PolarHBondContact O-N 3.25Å; E137-Q145 HydrophobicContact CB-CG 4.21Å; E137-Q145 HydrophobicContact CG-CB 4.01Å; E137-Q145 HydrophobicContact CG-CG 4.1Å
146Y91.6Very high82.5Confident73 Ų7394.4 Ų94.429%0.28645%0.45SS..EExtended strand (participates in β ladder)trans-97.6116.5176.7-75.7-80.5000108.8P109 H112 H133 A134 V144P109-Y146 WeakPolarHBondContact O-CE1 3.47Å; P109-Y146 PolarHBondContact O-OH 3.36Å; H112-Y146 HydrophobicContact CB-CD1 3.48Å; H112-Y146 VanDerWaalsContact CB-CD1 3.48Å; H112-Y146 HydrophobicContact CB-CE1 3.44Å; H112-Y146 VanDerWaalsContact CB-CE1 3.44Å; H112-Y146 HydrophobicContact CB-CG 4.17Å; H133-Y146 WeakPolarHBondContact O-CA 3.39Å; A134-Y146 HydrophobicContact CB-CD1 3.97Å; A134-Y146 HydrophobicContact CB-CE1 3.58Å; V144-Y146 HydrophobicContact CG1-CE2 4.21Å
147H92.7Very high81Confident65 Ų65103.3 Ų103.330%0.30148%0.479SS..EExtended strand (participates in β ladder)trans-102.8136.3178.4-60.1-90.2000109.9Y132 H133 E137 S149Y132-H147 CarbonylContact C-O 3.56Å; Y132-H147 WeakPolarHBondContact CA-O 3.46Å; H133-H147 PolarHBondContact N-O 3.2Å; H133-H147 PolarHBondContact O-N 2.97Å; E137-H147 IonicContact OE1-NE2 3.86Å; H147-S149 PolarHBondContact O-N 3.5Å
148L94.5Very high79.6Confident105 Ų105104.2 Ų104.255%0.5548%0.483SS..EExtended strand (participates in β ladder)trans-59.8124.2177.6-176.966.8000109.5C130 Y132 C151C130-L148 HydrophobicContact CB-CD1 3.95Å; Y132-L148 VanDerWaalsContact CD1-CA 3.48Å; Y132-L148 HydrophobicContact CD1-CB 3.98Å; Y132-L148 HydrophobicContact CD1-CD1 4.16Å; Y132-L148 HydrophobicContact CE1-CB 3.78Å; Y132-L148 HydrophobicContact CE1-CD1 3.69Å; Y132-L148 HydrophobicContact CE1-CG 4.32Å; Y132-L148 HydrophobicContact CE2-CD1 4.08Å; L148-C151 HydrophobicContact CD1-CB 4.49Å
149S93.3Very high78.3Confident61 Ų61105.3 Ų105.343%0.42747%0.474SS..EExtended strand (participates in β ladder)trans-98.5-50.8178.7179.50000110.8T131 H133 H147T131-S149 WeakPolarHBondContact O-CA 3.48Å; T131-S149 VanDerWaalsContact O-CB 3.24Å; T131-S149 WeakPolarHBondContact O-CB 3.43Å; T131-S149 PolarHBondContact O-N 3.35Å; H133-S149 WeakPolarHBondContact CD2-CB 3.47Å; H133-S149 PolarHBondContact CD2-OG 3.2Å; H133-S149 PolarHBondContact NE2-OG 3.12Å; H147-S149 PolarHBondContact O-N 3.5Å
150S92.8Very high77.2Confident37 Ų37101.5 Ų101.526%0.25946%0.457SS..EExtended strand (participates in β ladder)trans-156.1154.2176.559.40000110C130 T131C130-S150 CarbonylContact C-O 3.56Å; C130-S150 WeakPolarHBondContact CA-O 3.44Å; T131-S150 PolarHBondContact N-O 3.43Å; T131-S150 PolarHBondContact O-N 3.03Å
151C93Very high76.1Confident57 Ų57106.2 Ų106.239%0.38547%0.473SS..EExtended strand (participates in β ladder)trans-132.8126.8165-159.70000110N128 V129 C130 L148N128-C151 PolarHBondContact ND2-SG 2.92Å; V129-C151 WeakPolarHBondContact O-CA 3.44Å; C130-C151 WeakPolarHBondContact CA-SG 3.45Å; C130-C151 HydrophobicContact CB-CB 3.86Å; C130-C151 WeakPolarHBondContact CB-SG 3.24Å; C130-C151 WeakPolarHBondContact SG-CB 3.48Å; C130-C151 CovalentContact SG-SG 2.05Å; C130-C151 PolarHBondContact SG-SG 2.87Å; L148-C151 HydrophobicContact CD1-CB 4.49Å
152R88.2Confident75Confident184 Ų184105.1 Ų105.169%0.69448%0.479SS*.EExtended strand (participates in β ladder)trans-123.6135-174.3-61.8-176.6-175.7-172.9-0.2109.4N128 V129 A154N128-R152 CarbonylContact C-O 3.6Å; N128-R152 WeakPolarHBondContact CA-O 3.47Å; N128-R152 VanDerWaalsContact CB-O 3.27Å; N128-R152 WeakPolarHBondContact CB-O 3.31Å; V129-R152 PolarHBondContact N-O 3.48Å; V129-R152 PolarHBondContact O-N 2.85Å; R152-A154 PolarHBondContact O-N 3.1Å
153R84.3Confident73.9Confident196 Ų196104.2 Ų104.274%0.7448%0.476SS*.EExtended strand (participates in β ladder)trans-63.2134.5171.9-159.9174.8-171.8163.10.4108.9W127 N155W127-R153 CarbonylContact O-C 3.56Å; W127-R153 WeakPolarHBondContact O-CA 3.29Å; W127-R153 WeakPolarHBondContact O-CG 3.18Å; R153-N155 PolarHBondContact O-N 3.37Å; R153-N155 VanDerWaalsContact O-N 3.16Å
154A74.1Confident72.1Confident2 Ų2103.6 Ų103.62%0.01748%0.478CS..PPolyproline II helixtrans-64.7116.3176.400000108.9M126 W127 R152 R159M126-A154 HydrophobicContact CB-CB 4.13Å; M126-A154 HydrophobicContact CE-CB 3.45Å; M126-A154 VanDerWaalsContact CE-CB 3.45Å; M126-A154 HydrophobicContact CG-CB 3.85Å; M126-A154 VanDerWaalsContact O-CB 3.29Å; M126-A154 WeakPolarHBondContact O-CB 3.19Å; M126-A154 HydrophobicContact SD-CB 4.37Å; W127-A154 PolarHBondContact O-N 3.31Å; R152-A154 PolarHBondContact O-N 3.1Å; A154-R159 HydrophobicContact CB-CG 4.14Å; A154-R159 PolarHBondContact O-NE 3.12Å
155N66.5Low70Confident107 Ų107110.8 Ų110.857%0.57251%0.506SS*.PPolyproline II helixtrans-68155.1173.3-160.50.8000109.5R153 R157 Q158 R159R153-N155 PolarHBondContact O-N 3.37Å; R153-N155 VanDerWaalsContact O-N 3.16Å; N155-R157 VanDerWaalsContact C-N 3.27Å; N155-R157 PolarHBondContact O-N 3.01Å; N155-R157 VanDerWaalsContact O-N 3.15Å; N155-Q158 WeakPolarHBondContact O-CA 3.25Å; N155-Q158 WeakPolarHBondContact O-CB 3.38Å; N155-Q158 PolarHBondContact O-N 3.49Å; N155-R159 PolarHBondContact O-N 3.27Å; N155-R159 VanDerWaalsContact O-N 3.15Å
156T61Low67.6Low80 Ų80111.8 Ų111.849%0.49152%0.515SS..Hα-helixtrans-48.5-46-175.939.10000112.7Q158 R159 F160T156-Q158 VanDerWaalsContact C-N 3.26Å; T156-Q158 PolarHBondContact O-N 3.24Å; T156-R159 WeakPolarHBondContact O-CB 3.37Å; T156-R159 PolarHBondContact O-N 3.49Å; T156-R159 VanDerWaalsContact O-N 3.14Å; T156-F160 VanDerWaalsContact O-CD2 3.25Å; T156-F160 WeakPolarHBondContact O-CD2 3.24Å
157R59.2Low65.1Low222 Ų222116.2 Ų116.284%0.83854%0.542SS*.Hα-helixtrans-59.8-31.2176.5-69.5-172.7-177175.41.7114.4N155N155-R157 VanDerWaalsContact C-N 3.27Å; N155-R157 PolarHBondContact O-N 3.01Å; N155-R157 VanDerWaalsContact O-N 3.15Å
158Q55.7Low63.7Low91 Ų91118.8 Ų118.843%0.42555%0.554SS.*Hα-helixtrans-84.4-22.1180-66.4-177.9-20.700112.3M126 N155 T156 F160 K161M126-Q158 HydrophobicContact CE-CB 3.65Å; M126-Q158 WeakPolarHBondContact CE-O 3.49Å; N155-Q158 WeakPolarHBondContact O-CA 3.25Å; N155-Q158 WeakPolarHBondContact O-CB 3.38Å; N155-Q158 PolarHBondContact O-N 3.49Å; T156-Q158 VanDerWaalsContact C-N 3.26Å; T156-Q158 PolarHBondContact O-N 3.24Å; Q158-F160 PolarHBondContact O-N 3.38Å; Q158-K161 PolarHBondContact O-N 3.02Å; Q158-K161 VanDerWaalsContact O-N 3.14Å
159R53.6Low62.1Low67 Ų67119.5 Ų119.525%0.25355%0.554SS.*Hα-helixtrans-60.8-25.8179.3-63.4-171.5-178.4169.7-1.1113.1M126 A154 N155 T156M126-R159 WeakPolarHBondContact O-CG 3.41Å; A154-R159 HydrophobicContact CB-CG 4.14Å; A154-R159 PolarHBondContact O-NE 3.12Å; N155-R159 PolarHBondContact O-N 3.27Å; N155-R159 VanDerWaalsContact O-N 3.15Å; T156-R159 WeakPolarHBondContact O-CB 3.37Å; T156-R159 PolarHBondContact O-N 3.49Å; T156-R159 VanDerWaalsContact O-N 3.14Å
160F52.1Low60.3Low143 Ų143122.8 Ų122.863%0.62756%0.561SS**THydrogen-bonded Turntrans-97.9-1.9-179.6-56.7-76.6000114.2T156 Q158 L162T156-F160 VanDerWaalsContact O-CD2 3.25Å; T156-F160 WeakPolarHBondContact O-CD2 3.24Å; Q158-F160 PolarHBondContact O-N 3.38Å; F160-L162 PolarHBondContact O-N 3.22Å
161K50.1Low58.4Low153 Ų153127.8 Ų127.867%0.66558%0.579SS**  trans-70.7103178.9-85.3-170.1173.5-172.90109.8Q158Q158-K161 PolarHBondContact O-N 3.02Å; Q158-K161 VanDerWaalsContact O-N 3.14Å
162L49Very low56.3Low148 Ų148132.3 Ų132.378%0.77559%0.591SS**  trans-62.5147.5166.9-82143000111.1F160 F164F160-L162 PolarHBondContact O-N 3.22Å; L162-F164 VanDerWaalsContact C-N 3.29Å; L162-F164 PolarHBondContact O-N 2.73Å
163W48.2Very low54.1Low71 Ų71128.8 Ų128.827%0.26958%0.584SS.*THydrogen-bonded Turntrans-66.7-0.9-155.8-89.575.7000118.7I62 T64 Y115 Y117I62-W163 HydrophobicContact CB-CH2 3.16Å; I62-W163 HydrophobicContact CB-CZ2 3.36Å; I62-W163 HydrophobicContact CB-CZ3 3.87Å; I62-W163 HydrophobicContact CD1-CD2 4.08Å; I62-W163 HydrophobicContact CD1-CH2 3.92Å; I62-W163 HydrophobicContact CD1-CZ2 3.26Å; I62-W163 HydrophobicContact CD1-CZ3 4.46Å; I62-W163 HydrophobicContact CG1-CH2 4.1Å; I62-W163 HydrophobicContact CG1-CZ2 3.83Å; I62-W163 HydrophobicContact CG2-CE3 3.94Å; I62-W163 HydrophobicContact CG2-CH2 3.01Å; I62-W163 HydrophobicContact CG2-CZ2 3.63Å; I62-W163 HydrophobicContact CG2-CZ3 3.13Å; T64-W163 HydrophobicContact CG2-CE3 4.43Å; T64-W163 HydrophobicContact CG2-CH2 3.86Å; T64-W163 HydrophobicContact CG2-CZ3 3.38Å; Y115-W163 AromaticContact CD2-CH2 3.64Å; Y115-W163 HydrophobicContact CD2-CH2 3.64Å; Y115-W163 HydrophobicContact CD2-CZ2 4.21Å; Y115-W163 HydrophobicContact CE2-CH2 4.26Å; Y115-W163 AromaticContact CG-CH2 3.87Å; Y115-W163 HydrophobicContact CG-CH2 3.87Å; Y115-W163 AromaticContact CG-CZ2 3.95Å; Y115-W163 HydrophobicContact CG-CZ2 3.95Å; Y117-W163 AromaticContact CE2-CZ2 3.81Å; Y117-W163 HydrophobicContact CE2-CZ2 3.81Å; Y117-W163 AromaticContact CZ-CZ2 3.9Å; Y117-W163 AromaticContact CZ-NE1 3.54Å; Y117-W163 VanDerWaalsContact OH-CE2 3.25Å; Y117-W163 VanDerWaalsContact OH-CZ2 3.22Å; Y117-W163 WeakPolarHBondContact OH-CZ2 3.42Å; Y117-W163 PolarHBondContact OH-NE1 3.15Å
164F40.2Very low52Low172 Ų172124 Ų12475%0.75457%0.573SS**THydrogen-bonded Turntrans-98.23-160.4-64.5-74.8000116.5L162L162-F164 VanDerWaalsContact C-N 3.29Å; L162-F164 PolarHBondContact O-N 2.73Å
165K40.2Very low50.3Low192 Ų192133.4 Ų133.484%0.83562%0.616SS**SBendtrans-93.5-15.8-174.4-127.7-179.1-177.6178.70115.8
166D40.5Very low48.9Very low122 Ų122135.6 Ų135.665%0.65262%0.62SS**  trans-114.711-170.7-71.6-7.5000114
167I37.4Very low47.8Very low166 Ų166140.6 Ų140.685%0.85163%0.631SS**  trans-96.50171.9-59.1176.6000108.7Q67Q67-I167 PolarHBondContact NE2-O 3.08Å

Retrieved 167 of 167 residues in 87.7 ms (Link to these results)