A0A5K4F495_SCHMA Loading...

Lachesin

AlphaFold DB , UniProt , Accession A0A5K4F495, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 395 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
1M37Very low45.8Very low246 Ų246181.4 Ų181.4100%1.21280%0.802SS**  045.70-84.4176.8162.700113.6
2R42.5Very low46.1Very low245 Ų245175.1 Ų175.193%0.92578%0.78SS**  trans-119.112.8179.5-101.4-176.7179.9179.90.3115.4
3F39.4Very low46.2Very low207 Ų207167.2 Ų167.291%0.90876%0.758SS**SBendtrans-93.30.7-178.6-104.5-87.4000115.6
4E41.6Very low46.4Very low162 Ų162162.1 Ų162.176%0.75775%0.745SS**SBendtrans-90.2-11.1-176.5-78.2-114145.300115.2
5L45.1Very low46.2Very low139 Ų139155.6 Ų155.673%0.72873%0.731SS**Hα-helixtrans-80.9-18.7-173.3-141.677.1000114.6
6R46.9Very low46Very low225 Ų225156.8 Ų156.885%0.84973%0.733SS**Hα-helixtrans-80.5-22.4-178.9-81.7-172175.1-168.8-1114.3
7R48.7Very low45.7Very low209 Ų209155.8 Ų155.879%0.78973%0.733SS**Hα-helixtrans-79.7-26.5-178.4-115.2179.9-179.8-169.6-0.7113.7
8R48.9Very low45.5Very low190 Ų190157.1 Ų157.172%0.71774%0.736SS**Hα-helixtrans-74.6-29.5177.6-74.8-173178.4-168.1-0.5113.5I12R8-I12 WeakPolarHBondContact O-CD1 3.36Å; R8-I12 WeakPolarHBondContact O-CG1 3.35Å
9I51.3Low45.2Very low114 Ų114156 Ų15659%0.58573%0.734SS**Hα-helixtrans-74-32.5-179.8-60.4175.4000111.2
10L51.6Low44.9Very low129 Ų129155.8 Ų155.868%0.67574%0.737SS**Hα-helixtrans-76.6-33.6-179-147.377.2000113.2C13 V14L10-C13 PolarHBondContact O-N 3.15Å; L10-V14 PolarHBondContact O-N 2.69Å
11L51.3Low44.5Very low129 Ų129153.8 Ų153.868%0.67574%0.739SS**Hα-helixtrans-72.4-29.9176.9-95.795.3000113.2C13 V14 A15L11-C13 VanDerWaalsContact C-N 3.31Å; L11-V14 PolarHBondContact O-N 2.9Å; L11-A15 PolarHBondContact O-N 2.75Å
12I49.1Very low44.5Very low106 Ų106146.8 Ų146.854%0.54471%0.712SS.*Hα-helixtrans-71.1-30.8176.9-63.2168.9000110.7R8 F16R8-I12 WeakPolarHBondContact O-CD1 3.36Å; R8-I12 WeakPolarHBondContact O-CG1 3.35Å; I12-F16 HydrophobicContact CG2-CD2 4.23Å; I12-F16 HydrophobicContact CG2-CE2 4.47Å; I12-F16 PolarHBondContact O-N 2.83Å
13C47.1Very low44.5Very low72 Ų72143.7 Ų143.749%0.48671%0.705SS.*Hα-helixtrans-71.9-32.5176.9-690000113.3L10 L11L10-C13 PolarHBondContact O-N 3.15Å; L11-C13 VanDerWaalsContact C-N 3.31Å
14V49.5Very low44.9Very low96 Ų96138.2 Ų138.258%0.58269%0.693SS**Hα-helixtrans-78.2-30.3179.6-177.10000111.6L10 L11 F16L10-V14 PolarHBondContact O-N 2.69Å; L11-V14 PolarHBondContact O-N 2.9Å; V14-F16 VanDerWaalsContact C-N 3.32Å; V14-F16 PolarHBondContact O-N 2.84Å
15A43.8Very low45.2Very low65 Ų65137.8 Ų137.854%0.53770%0.696SS.*Hα-helixtrans-71.7-24.2176.400000113.6L11L11-A15 PolarHBondContact O-N 2.75Å
16F42.1Very low45.9Very low174 Ų174135.5 Ų135.576%0.76369%0.691SS**THydrogen-bonded Turntrans-90.7-7.6178.7-94-84.2000114.7I12 V14I12-F16 HydrophobicContact CG2-CD2 4.23Å; I12-F16 HydrophobicContact CG2-CE2 4.47Å; I12-F16 PolarHBondContact O-N 2.83Å; V14-F16 VanDerWaalsContact C-N 3.32Å; V14-F16 PolarHBondContact O-N 2.84Å
17L40.9Very low46.8Very low140 Ų140128.5 Ų128.573%0.73367%0.667SS**SBendtrans-93.2-7.8-178-93.3158.8000114.7
18F41.5Very low48Very low180 Ų180123.3 Ų123.379%0.78965%0.654SS**SBendtrans-125.43.2-172.7-88.5-76.2000116.9
19I40.4Very low49.5Very low136 Ų136114.4 Ų114.470%0.69762%0.621SS**SBendtrans-123.9114.8177.6-49.7179.8000107.5
20L38.7Very low51Low152 Ų152114 Ų11480%0.79662%0.616SS**  trans82.655.4-177.6-42.5174000115.3P22L20-P22 VanDerWaalsContact C-CD 3.43Å; L20-P22 VanDerWaalsContact C-N 3.26Å; L20-P22 WeakPolarHBondContact O-CD 3.46Å
21C36.7Very low52.7Low113 Ų113109 Ų10976%0.76459%0.59SS**  -70.5101.9122.6-1110000103.9F23C21-F23 PolarHBondContact O-N 3.23Å
22P38.2Very low54.2Low99 Ų99105 Ų10564%0.64357%0.571SS**  trans-59.2111.9154.129.7-27.7000101.7L20 S24L20-P22 VanDerWaalsContact C-CD 3.43Å; L20-P22 VanDerWaalsContact C-N 3.26Å; L20-P22 WeakPolarHBondContact O-CD 3.46Å; P22-S24 PolarHBondContact O-N 2.98Å
23F41.4Very low55.7Low180 Ų180103.1 Ų103.179%0.78956%0.562SS**  trans-55.586.9144.8-74.1-88.2000103C21 N25C21-F23 PolarHBondContact O-N 3.23Å; F23-N25 PolarHBondContact O-N 2.89Å
24S47.7Very low57.7Low93 Ų93111 Ų11165%0.6558%0.581SS**  trans-50.9103.315453.40000100.9P22 S26P22-S24 PolarHBondContact O-N 2.98Å; S24-S26 PolarHBondContact O-N 2.92Å
25N47.9Very low59.7Low153 Ų153107 Ų10782%0.81856%0.557SS**  trans-53.495.4169.2-85.3-31.9000103.3F23 F27F23-N25 PolarHBondContact O-N 2.89Å; N25-F27 VanDerWaalsContact C-N 3.26Å; N25-F27 PolarHBondContact O-N 2.83Å
26S59.7Low61.9Low91 Ų91110 Ų11064%0.63656%0.56SS**  trans-66.8101.3-17753.30000102.9S24 I28S24-S26 PolarHBondContact O-N 2.92Å; S26-I28 VanDerWaalsContact C-N 3.31Å; S26-I28 PolarHBondContact O-N 2.65Å
27F67.4Low64.3Low77 Ų77104.6 Ų104.634%0.33854%0.541SS..  trans-65.899-178.8179.8-95.1000106.6N25 P29 V53 E55 Q58N25-F27 VanDerWaalsContact C-N 3.26Å; N25-F27 PolarHBondContact O-N 2.83Å; F27-P29 HydrophobicContact CE1-CB 4.28Å; F27-P29 WeakPolarHBondContact O-CD 3.46Å; F27-V53 HydrophobicContact CE1-CB 4.37Å; F27-V53 HydrophobicContact CE1-CG1 4Å; F27-V53 HydrophobicContact CE2-CG1 4.38Å; F27-V53 HydrophobicContact CZ-CB 3.81Å; F27-V53 HydrophobicContact CZ-CG1 3.43Å; F27-V53 VanDerWaalsContact CZ-CG1 3.43Å; F27-E55 HydrophobicContact CD1-CG 3.6Å; F27-E55 HydrophobicContact CE1-CG 3.98Å; F27-E55 HydrophobicContact CG-CG 4.24Å; F27-Q58 PolarHBondContact O-NE2 3.41Å
28I73.5Confident66.7Low100 Ų10098.4 Ų98.451%0.51351%0.51SS..  trans-78.3113.1173-55.7176.9000105S26 Q30S26-I28 VanDerWaalsContact C-N 3.31Å; S26-I28 PolarHBondContact O-N 2.65Å; I28-Q30 VanDerWaalsContact CG2-NE2 3.32Å; I28-Q30 WeakPolarHBondContact O-CG 3.05Å; I28-Q30 PolarHBondContact O-N 3.33Å; I28-Q30 PolarHBondContact O-NE2 3.5Å
29P79.7Confident69.1Low3 Ų392.7 Ų92.72%0.01949%0.49CS..  trans-59.6138.8179.327.1-34.7000109.2F27 V53 I139 L141 P150F27-P29 HydrophobicContact CE1-CB 4.28Å; F27-P29 WeakPolarHBondContact O-CD 3.46Å; P29-V53 VanDerWaalsContact CB-O 3.23Å; P29-V53 WeakPolarHBondContact CB-O 3.24Å; P29-I139 HydrophobicContact CB-CD1 4.02Å; P29-I139 HydrophobicContact CB-CG2 4.37Å; P29-I139 HydrophobicContact CG-CD1 4.47Å; P29-I139 HydrophobicContact CG-CG2 3.97Å; P29-L141 HydrophobicContact CG-CD2 3.59Å; P29-P150 WeakPolarHBondContact O-CG 3.42Å
30Q83.3Confident71.6Confident105 Ų10587.2 Ų87.249%0.49146%0.463SS..  trans-124.7145.5-178.8-63.9-60.8-50.400109.5I28 A52 V53I28-Q30 VanDerWaalsContact CG2-NE2 3.32Å; I28-Q30 WeakPolarHBondContact O-CG 3.05Å; I28-Q30 PolarHBondContact O-N 3.33Å; I28-Q30 PolarHBondContact O-NE2 3.5Å; Q30-A52 VanDerWaalsContact O-CA 3.32Å; Q30-A52 WeakPolarHBondContact O-CA 3.28Å; Q30-A52 WeakPolarHBondContact O-CB 3.39Å; Q30-V53 PolarHBondContact O-N 2.97Å; Q30-V53 VanDerWaalsContact O-N 3.15Å
31I86.8Confident74.1Confident26 Ų2685.3 Ų85.313%0.13345%0.45CS..BIsolated β-bridgetrans-73.5128166.3-59.1173.6000106.6D33 T51 A52 I139 P150 V151 A152I31-D33 WeakPolarHBondContact CG2-O 3.38Å; I31-T51 CarbonylContact C-O 3.55Å; I31-T51 WeakPolarHBondContact CA-O 3.18Å; I31-T51 WeakPolarHBondContact CG2-O 3.26Å; I31-A52 HydrophobicContact CG1-CB 4.43Å; I31-I139 HydrophobicContact CG1-CD1 3.92Å; I31-I139 HydrophobicContact CG1-CG1 4.02Å; I31-P150 HydrophobicContact CG1-CB 4.4Å; I31-V151 VanDerWaalsContact CD1-C 3.45Å; I31-A152 HydrophobicContact CB-CB 4.47Å; I31-A152 HydrophobicContact CD1-CB 3.6Å; I31-A152 VanDerWaalsContact CD1-N 3.34Å; I31-A152 HydrophobicContact CG2-CB 3.78Å
32T82.1Confident76.7Confident45 Ų4584.9 Ų84.928%0.27644%0.437SS..  trans-72.1-44.3-169.860.80000112.3T51 V53 L116T32-T51 HydrophobicContact CG2-CG2 4.34Å; T32-T51 PolarHBondContact N-O 3.06Å; T32-T51 WeakPolarHBondContact OG1-CB 3.36Å; T32-T51 PolarHBondContact OG1-O 2.67Å; T32-V53 HydrophobicContact CG2-CG2 3.8Å; T32-L116 HydrophobicContact CG2-CD2 3.74Å
33D81.9Confident79.2Confident65 Ų6588.4 Ų88.435%0.34844%0.442SS..SBendtrans-137162.1-169.7-60.9-74.7000111.4I31I31-D33 WeakPolarHBondContact CG2-O 3.38Å
34R87.9Confident81.7Confident237 Ų23780.9 Ų80.989%0.89442%0.415SS*.PPolyproline II helixtrans-67.8144.6168.7-65.3-176.1179-170.9-0.1109.5E36R34-E36 PolarHBondContact O-N 2.8Å
35I91.7Very high84Confident12 Ų1278.8 Ų78.86%0.06240%0.399CS..PPolyproline II helixtrans-71.7122.9176.3-60.7160.1000108.5L48 C50 W64 C137 A152I35-L48 HydrophobicContact CG2-CB 3.98Å; I35-L48 HydrophobicContact CG2-CD2 3.87Å; I35-L48 HydrophobicContact CG2-CG 4.48Å; I35-C50 HydrophobicContact CD1-CB 4.33Å; I35-C50 HydrophobicContact CG1-CB 4.38Å; I35-W64 HydrophobicContact CD1-CH2 3.51Å; I35-W64 HydrophobicContact CD1-CZ3 3.76Å; I35-W64 HydrophobicContact CG1-CH2 4.25Å; I35-W64 HydrophobicContact CG2-CH2 4.36Å; I35-C137 HydrophobicContact CD1-CB 3.74Å; I35-A152 HydrophobicContact CD1-CB 3.78Å; I35-A152 HydrophobicContact CG1-CB 4.07Å
36E90.7Very high86.3Confident128 Ų12871.5 Ų71.560%0.59836%0.36SS*.PPolyproline II helixtrans-63.1138.9174.1-67-176.1171.900110.9R34 A38 L48 Y104R34-E36 PolarHBondContact O-N 2.8Å; E36-A38 PolarHBondContact O-N 2.96Å; E36-L48 WeakPolarHBondContact O-CD2 3.38Å; E36-Y104 WeakPolarHBondContact OE1-CD1 3.36Å
37T91.5Very high88Confident61 Ų6172.8 Ų72.837%0.37435%0.351SS..PPolyproline II helixtrans-73.2124.8179.4-64.60000110V39 N155 I157T37-V39 PolarHBondContact O-N 3.4Å; T37-N155 WeakPolarHBondContact CA-O 3.42Å; T37-N155 HydrophobicContact CG2-CB 4.28Å; T37-N155 WeakPolarHBondContact CG2-O 3.14Å; T37-I157 HydrophobicContact CG2-CB 4.23Å; T37-I157 HydrophobicContact CG2-CD1 3.53Å; T37-I157 HydrophobicContact CG2-CG1 3.52Å
38A92.4Very high89.4Confident11 Ų1169.1 Ų69.19%0.09134%0.335CS..EExtended strand (participates in β ladder)trans-79.3122.2179.400000110.5E36 V40 A46 L48 N155 I156 I157E36-A38 PolarHBondContact O-N 2.96Å; A38-V40 HydrophobicContact CB-CG2 4.4Å; A38-A46 HydrophobicContact CB-CB 3.82Å; A38-L48 HydrophobicContact CB-CD2 3.87Å; A38-N155 PolarHBondContact N-O 2.8Å; A38-N155 VanDerWaalsContact N-O 3.12Å; A38-I156 HydrophobicContact CB-CG1 4.44Å; A38-I156 CarbonylContact O-C 3.56Å; A38-I156 WeakPolarHBondContact O-CA 3.31Å; A38-I157 PolarHBondContact O-N 2.87Å
39V91.8Very high90.3Very high59 Ų5967.8 Ų67.836%0.35833%0.329SS..EExtended strand (participates in β ladder)trans-107.8107.5-178.9-168.90000110.2T37 I157 K159 P189T37-V39 PolarHBondContact O-N 3.4Å; V39-I157 CarbonylContact C-O 3.49Å; V39-I157 WeakPolarHBondContact CA-O 3.01Å; V39-I157 HydrophobicContact CG1-CB 4.3Å; V39-I157 HydrophobicContact CG1-CG2 4.04Å; V39-I157 HydrophobicContact CG2-CB 4.25Å; V39-I157 HydrophobicContact CG2-CD1 4.48Å; V39-K159 HydrophobicContact CG1-CD 4.24Å; V39-K159 HydrophobicContact CG1-CG 3.68Å; V39-P189 HydrophobicContact CG1-CG 4.46Å
40V93.4Very high91Very high22 Ų2267.6 Ų67.613%0.13333%0.328CS..EExtended strand (participates in β ladder)trans-137.8146.2-166.1-170.60000111.4A38 A46 V126 I157 V158 K159A38-V40 HydrophobicContact CB-CG2 4.4Å; V40-A46 HydrophobicContact CG2-CB 3.75Å; V40-V126 HydrophobicContact CG1-CG2 4.45Å; V40-I157 PolarHBondContact N-O 3.32Å; V40-V158 CarbonylContact O-C 3.57Å; V40-V158 VanDerWaalsContact O-CA 3.27Å; V40-V158 WeakPolarHBondContact O-CA 3.01Å; V40-K159 PolarHBondContact O-N 3.37Å
41Q91.5Very high91.3Very high111 Ų11163.2 Ų63.252%0.51931%0.308SS..EExtended strand (participates in β ladder)trans-73.1159.5172.1-65.3175.5-18.300111.5G44 K159Q41-G44 PolarHBondContact O-N 2.85Å; Q41-K159 HydrophobicContact CG-CB 3.97Å; Q41-K159 HydrophobicContact CG-CD 3.91Å; Q41-K159 HydrophobicContact CG-CG 4.46Å
42E90.4Very high91.4Very high105 Ų10562 Ų6249%0.49130%0.302SS..THydrogen-bonded Turntrans-52.4145.1170.9-72.6-169.7178.100111.6G44 V126 V158E42-G44 PolarHBondContact O-N 3.25Å; E42-V126 CarbonylContact C-O 3.56Å; E42-V158 HydrophobicContact CG-CG1 3.71Å
43K91.3Very high91.5Very high173 Ų17360.7 Ų60.775%0.75229%0.294SS*.THydrogen-bonded Turntrans65.2-2.1-175.5-50.7171.4-177.1173.40114.4V126K43-V126 PolarHBondContact N-O 2.88Å
44G93Very high91.4Very high22 Ų2258 Ų5823%0.22728%0.28CS..  trans-72.3-173174.700000113.4Q41 E42 F125 V126Q41-G44 PolarHBondContact O-N 2.85Å; E42-G44 PolarHBondContact O-N 3.25Å; G44-F125 PolarHBondContact O-N 2.94Å; G44-F125 VanDerWaalsContact O-N 3.12Å; G44-V126 WeakPolarHBondContact O-CG2 3.45Å; G44-V126 PolarHBondContact O-N 2.87Å
45T95.5Very high90.8Very high49 Ų4949.3 Ų49.330%0.30125%0.249SC..  trans-120.9126.1176.4-59.30000110Y47 I122 V123 R124T45-Y47 HydrophobicContact CG2-CE1 3.92Å; T45-Y47 HydrophobicContact CG2-CE2 4.1Å; T45-I122 HydrophobicContact CG2-CG2 3.39Å; T45-V123 CarbonylContact C-O 3.46Å; T45-V123 WeakPolarHBondContact CA-O 3.19Å; T45-R124 HydrophobicContact CG2-CG 4.29Å
46A96.1Very high89.8Confident0 Ų057 Ų570%029%0.285CS..EExtended strand (participates in β ladder)trans-97.5148.3175.800000111.9A38 V40 I122 V123 V126 I156A38-A46 HydrophobicContact CB-CB 3.82Å; V40-A46 HydrophobicContact CG2-CB 3.75Å; A46-I122 WeakPolarHBondContact O-CA 3.38Å; A46-V123 HydrophobicContact CB-CB 4.29Å; A46-V123 PolarHBondContact N-O 2.77Å; A46-V123 PolarHBondContact O-N 2.9Å; A46-V126 HydrophobicContact CB-CG2 3.84Å; A46-I156 HydrophobicContact CB-CD1 3.67Å; A46-I156 HydrophobicContact CB-CG1 4.04Å; A46-I156 HydrophobicContact CB-CG2 4.16Å
47Y96.2Very high88.6Confident118 Ų11859.9 Ų59.946%0.46330%0.298SS..EExtended strand (participates in β ladder)trans-129.4120.4-177-58.6-78.2000109.1T45 Q120 L121 I122T45-Y47 HydrophobicContact CG2-CE1 3.92Å; T45-Y47 HydrophobicContact CG2-CE2 4.1Å; Y47-Q120 HydrophobicContact CD1-CG 4.34Å; Y47-Q120 VanDerWaalsContact CD1-OE1 3.22Å; Y47-L121 WeakPolarHBondContact CA-O 3.31Å; Y47-I122 HydrophobicContact CD1-CG1 3.98Å; Y47-I122 HydrophobicContact CD1-CG2 4.26Å; Y47-I122 HydrophobicContact CE1-CD1 4.42Å; Y47-I122 HydrophobicContact CE1-CG1 4.1Å; Y47-I122 HydrophobicContact CE1-CG2 3.91Å
48L96.1Very high87.4Confident0 Ų059.7 Ų59.70%029%0.293CS..EExtended strand (participates in β ladder)trans-118.5118.7177-63.3172.6000108.4I35 E36 A38 W64 Q120 L121 F135 I156I35-L48 HydrophobicContact CG2-CB 3.98Å; I35-L48 HydrophobicContact CG2-CD2 3.87Å; I35-L48 HydrophobicContact CG2-CG 4.48Å; E36-L48 WeakPolarHBondContact O-CD2 3.38Å; A38-L48 HydrophobicContact CB-CD2 3.87Å; L48-W64 HydrophobicContact CB-CH2 3.69Å; L48-W64 HydrophobicContact CB-CZ2 4.27Å; L48-W64 HydrophobicContact CB-CZ3 4.26Å; L48-W64 HydrophobicContact CD1-CZ3 4.49Å; L48-W64 WeakPolarHBondContact O-CZ2 3.38Å; L48-Q120 CarbonylContact O-C 3.54Å; L48-Q120 VanDerWaalsContact O-CA 3.27Å; L48-Q120 WeakPolarHBondContact O-CA 3.49Å; L48-L121 HydrophobicContact CB-CB 4.34Å; L48-L121 HydrophobicContact CD1-CD2 4.3Å; L48-L121 PolarHBondContact N-O 2.74Å; L48-L121 PolarHBondContact O-N 3.47Å; L48-F135 HydrophobicContact CD1-CB 3.85Å; L48-F135 HydrophobicContact CD1-CD2 3.6Å; L48-F135 HydrophobicContact CD1-CE2 4.42Å; L48-F135 HydrophobicContact CD1-CG 3.85Å; L48-I156 HydrophobicContact CD1-CG1 4.34Å
49N93.9Very high86.1Confident71 Ų7165.7 Ų65.738%0.3832%0.319SS..EExtended strand (participates in β ladder)trans-99.5123.9-179-64.8-30.3000109.6T118 Q120N49-T118 HydrophobicContact CB-CG2 4.09Å; N49-Q120 WeakPolarHBondContact OD1-CB 3.26Å; N49-Q120 WeakPolarHBondContact OD1-CG 3.31Å; N49-Q120 PolarHBondContact OD1-NE2 2.88Å
50C93.3Very high85.3Confident0 Ų063.9 Ų63.90%031%0.309CS..EExtended strand (participates in β ladder)trans-114.3120.3169.8-171.90000109.1I35 I62 W64 T118 Y119 C137I35-C50 HydrophobicContact CD1-CB 4.33Å; I35-C50 HydrophobicContact CG1-CB 4.38Å; C50-I62 HydrophobicContact CB-CG2 4.28Å; C50-W64 HydrophobicContact CB-CH2 3.86Å; C50-W64 HydrophobicContact CB-CZ2 3.39Å; C50-T118 WeakPolarHBondContact O-CA 3.4Å; C50-Y119 PolarHBondContact N-O 3.25Å; C50-Y119 VanDerWaalsContact N-O 3.17Å; C50-Y119 PolarHBondContact O-N 2.88Å; C50-C137 HydrophobicContact CB-CB 3.66Å; C50-C137 WeakPolarHBondContact CB-SG 3.13Å; C50-C137 WeakPolarHBondContact SG-CB 3.31Å; C50-C137 CovalentContact SG-SG 2.02Å; C50-C137 PolarHBondContact SG-SG 2.97Å
51T89.5Confident84.7Confident13 Ų1365.9 Ų65.98%0.0832%0.317CS..EExtended strand (participates in β ladder)trans-113.8129-176-52.10000109.1I31 T32 P102 L116 R117 T118I31-T51 CarbonylContact C-O 3.55Å; I31-T51 WeakPolarHBondContact CA-O 3.18Å; I31-T51 WeakPolarHBondContact CG2-O 3.26Å; T32-T51 HydrophobicContact CG2-CG2 4.34Å; T32-T51 PolarHBondContact N-O 3.06Å; T32-T51 WeakPolarHBondContact OG1-CB 3.36Å; T32-T51 PolarHBondContact OG1-O 2.67Å; T51-P102 HydrophobicContact CG2-CG 4.22Å; T51-L116 HydrophobicContact CG2-CB 4.5Å; T51-L116 HydrophobicContact CG2-CD2 3.86Å; T51-R117 WeakPolarHBondContact CA-O 3.34Å; T51-T118 PolarHBondContact OG1-OG1 3.39Å
52A88.8Confident84.6Confident0 Ų060.6 Ų60.60%029%0.292CS..EExtended strand (participates in β ladder)trans-135.6154.5174.900000110.9Q30 I31 I54 I62 R117 I139Q30-A52 VanDerWaalsContact O-CA 3.32Å; Q30-A52 WeakPolarHBondContact O-CA 3.28Å; Q30-A52 WeakPolarHBondContact O-CB 3.39Å; I31-A52 HydrophobicContact CG1-CB 4.43Å; A52-I54 HydrophobicContact CB-CD1 4.45Å; A52-I54 HydrophobicContact CB-CG1 4.2Å; A52-I62 HydrophobicContact CB-CD1 3.74Å; A52-I62 HydrophobicContact CB-CG1 4.39Å; A52-R117 PolarHBondContact N-O 2.82Å; A52-R117 PolarHBondContact O-N 2.67Å; A52-I139 HydrophobicContact CB-CD1 3.51Å; A52-I139 HydrophobicContact CB-CG1 4.16Å
53V83.8Confident84.7Confident17 Ų1755.6 Ų55.610%0.10327%0.269CS..EExtended strand (participates in β ladder)trans-88.3119168.6-174.10000107.9F27 P29 Q30 T32 V111 K115 L116F27-V53 HydrophobicContact CE1-CB 4.37Å; F27-V53 HydrophobicContact CE1-CG1 4Å; F27-V53 HydrophobicContact CE2-CG1 4.38Å; F27-V53 HydrophobicContact CZ-CB 3.81Å; F27-V53 HydrophobicContact CZ-CG1 3.43Å; F27-V53 VanDerWaalsContact CZ-CG1 3.43Å; P29-V53 VanDerWaalsContact CB-O 3.23Å; P29-V53 WeakPolarHBondContact CB-O 3.24Å; Q30-V53 PolarHBondContact O-N 2.97Å; Q30-V53 VanDerWaalsContact O-N 3.15Å; T32-V53 HydrophobicContact CG2-CG2 3.8Å; V53-V111 HydrophobicContact CG2-CG1 3.61Å; V53-K115 HydrophobicContact CG1-CB 3.67Å; V53-K115 HydrophobicContact CG1-CD 4.43Å; V53-L116 HydrophobicContact CG2-CD2 3.84Å
54I80.6Confident85Confident9 Ų947.4 Ų47.45%0.04623%0.233CC..  trans-128.9130.1-178.9-54.9179.2000108.5A52 I62 K115 R117A52-I54 HydrophobicContact CB-CD1 4.45Å; A52-I54 HydrophobicContact CB-CG1 4.2Å; I54-I62 HydrophobicContact CD1-CG1 3.99Å; I54-K115 PolarHBondContact N-O 3.47Å; I54-R117 HydrophobicContact CB-CG 4.06Å; I54-R117 HydrophobicContact CD1-CB 4.04Å; I54-R117 HydrophobicContact CD1-CG 4.17Å; I54-R117 HydrophobicContact CG1-CB 4.41Å; I54-R117 HydrophobicContact CG1-CG 4.31Å
55E76.4Confident85.1Confident54 Ų5448.1 Ų48.125%0.25223%0.229SC..  trans-80.1143.3175.4-60.2-161.1132.300111.2F27 Q57 Q58 K115F27-E55 HydrophobicContact CD1-CG 3.6Å; F27-E55 HydrophobicContact CE1-CG 3.98Å; F27-E55 HydrophobicContact CG-CG 4.24Å; E55-Q57 PolarHBondContact O-N 3.5Å; E55-Q57 VanDerWaalsContact O-N 3.1Å; E55-Q58 HydrophobicContact CB-CG 4.24Å; E55-Q58 PolarHBondContact O-N 2.89Å; E55-K115 HydrophobicContact CG-CD 4.3Å; E55-K115 IonicContact OE1-NZ 2.72Å; E55-K115 PolarHBondContact OE1-NZ 2.04Å
56E70.3Confident85Confident174 Ų17446.7 Ų46.781%0.81322%0.218SC*.THydrogen-bonded Turntrans-58-27.1-178.2-69-176.2167.300113.7Q58E56-Q58 VanDerWaalsContact C-N 3.32Å
57Q65.9Low84.8Confident189 Ų18949 Ų4988%0.88323%0.232SC*.THydrogen-bonded Turntrans-81-10.9179-62.9-174.1-2.500113.5E55E55-Q57 PolarHBondContact O-N 3.5Å; E55-Q57 VanDerWaalsContact O-N 3.1Å
58Q65.2Low84.5Confident56 Ų5648.1 Ų48.126%0.26224%0.24SC..SBendtrans-93.6121.2177.6-65.2-174.8-13.400109.3F27 E55 E56 S60F27-Q58 PolarHBondContact O-NE2 3.41Å; E55-Q58 HydrophobicContact CB-CG 4.24Å; E55-Q58 PolarHBondContact O-N 2.89Å; E56-Q58 VanDerWaalsContact C-N 3.32Å; Q58-S60 PolarHBondContact O-N 3.14Å
59E65Low84.3Confident138 Ų13851.2 Ų51.265%0.64526%0.256SS*.  trans-71.842.2167.4-65.2-171.7172.500111.8R142E59-R142 IonicContact OE2-CZ 3.95Å; E59-R142 IonicContact OE2-NE 2.87Å; E59-R142 IonicContact OE2-NH1 3.29Å; E59-R142 PolarHBondContact OE2-NH1 2.99Å; E59-R142 VanDerWaalsContact OE2-NH1 3.11Å; E59-R142 IonicContact OE2-NH2 3.32Å; E59-R142 PolarHBondContact OE2-NH2 2.96Å
60S75.4Confident84.1Confident20 Ų2056.5 Ų56.514%0.1428%0.276CS..  trans-90.1127.1178.4-59.90000108.7Q58 L141Q58-S60 PolarHBondContact O-N 3.14Å; S60-L141 WeakPolarHBondContact OG-CD2 3.18Å
61Q79.7Confident84Confident65 Ų6557.8 Ų57.830%0.30428%0.281SS..EExtended strand (participates in β ladder)trans-122.2147.7177.363.2-172.5-20.200110.1S75 E140Q61-S75 PolarHBondContact NE2-OG 2.75Å; Q61-S75 PolarHBondContact OE1-OG 3.18Å; Q61-E140 HydrophobicContact CG-CB 4.5Å; Q61-E140 PolarHBondContact NE2-OE2 2.8Å; Q61-E140 PolarHBondContact O-N 3.49Å; Q61-E140 VanDerWaalsContact O-N 3.12Å
62I90.5Very high84.2Confident0 Ų059.6 Ų59.60%029%0.289CS..EExtended strand (participates in β ladder)trans-81.8126.3172.2-57.8-170.2000108.7C50 A52 I54 G76 R117 Y119 C137 V138C50-I62 HydrophobicContact CB-CG2 4.28Å; A52-I62 HydrophobicContact CB-CD1 3.74Å; A52-I62 HydrophobicContact CB-CG1 4.39Å; I54-I62 HydrophobicContact CD1-CG1 3.99Å; I62-G76 WeakPolarHBondContact O-CA 3.33Å; I62-G76 PolarHBondContact O-N 2.87Å; I62-R117 WeakPolarHBondContact CD1-O 3.37Å; I62-Y119 HydrophobicContact CB-CD2 3.58Å; I62-Y119 HydrophobicContact CB-CE2 4.25Å; I62-Y119 HydrophobicContact CB-CG 3.91Å; I62-Y119 HydrophobicContact CD1-CD2 3.81Å; I62-Y119 HydrophobicContact CG1-CD2 3.77Å; I62-Y119 HydrophobicContact CG1-CE2 4.31Å; I62-Y119 HydrophobicContact CG2-CD2 4.49Å; I62-Y119 HydrophobicContact CG2-CG 4.47Å; I62-C137 WeakPolarHBondContact CG2-SG 3.4Å; I62-V138 WeakPolarHBondContact CA-O 3.33Å
63S93.2Very high84.4Confident0 Ų059.9 Ų59.90%029%0.29CS..EExtended strand (participates in β ladder)trans-119.7140.7179.1-70.10000110.8S74 S75 C137 V138 E140S63-S74 WeakPolarHBondContact CA-O 3.29Å; S63-S74 WeakPolarHBondContact CB-O 3.23Å; S63-S74 PolarHBondContact OG-O 2.85Å; S63-S75 WeakPolarHBondContact OG-CA 3.37Å; S63-C137 WeakPolarHBondContact O-CA 3.42Å; S63-V138 PolarHBondContact N-O 2.96Å; S63-V138 PolarHBondContact O-N 2.79Å; S63-E140 WeakPolarHBondContact CB-OE1 3.47Å; S63-E140 PolarHBondContact OG-OE1 2.98Å; S63-E140 PolarHBondContact OG-OE2 2.78Å
64W96.1Very high84.9Confident0 Ų059 Ų590%029%0.286CS..EExtended strand (participates in β ladder)trans-102.8138.3176-74.196.8000110.8I35 L48 C50 I73 S74 Y119 L121 F135 R136 C137I35-W64 HydrophobicContact CD1-CH2 3.51Å; I35-W64 HydrophobicContact CD1-CZ3 3.76Å; I35-W64 HydrophobicContact CG1-CH2 4.25Å; I35-W64 HydrophobicContact CG2-CH2 4.36Å; L48-W64 HydrophobicContact CB-CH2 3.69Å; L48-W64 HydrophobicContact CB-CZ2 4.27Å; L48-W64 HydrophobicContact CB-CZ3 4.26Å; L48-W64 HydrophobicContact CD1-CZ3 4.49Å; L48-W64 WeakPolarHBondContact O-CZ2 3.38Å; C50-W64 HydrophobicContact CB-CH2 3.86Å; C50-W64 HydrophobicContact CB-CZ2 3.39Å; W64-I73 HydrophobicContact CB-CB 4.21Å; W64-I73 WeakPolarHBondContact O-CA 3.06Å; W64-I73 WeakPolarHBondContact O-CB 3.28Å; W64-I73 PolarHBondContact O-N 2.7Å; W64-S74 PolarHBondContact N-O 2.82Å; W64-S74 PolarHBondContact N-OG 2.65Å; W64-S74 PolarHBondContact O-N 2.85Å; W64-S74 VanDerWaalsContact O-N 3.17Å; W64-Y119 WeakPolarHBondContact CZ2-O 3.36Å; W64-Y119 PolarHBondContact NE1-O 3.31Å; W64-L121 HydrophobicContact CB-CD1 4.49Å; W64-L121 HydrophobicContact CB-CD2 4.34Å; W64-L121 HydrophobicContact CD2-CB 3.63Å; W64-L121 HydrophobicContact CD2-CD2 3.91Å; W64-L121 HydrophobicContact CD2-CG 4.33Å; W64-L121 HydrophobicContact CE3-CB 4.12Å; W64-L121 HydrophobicContact CE3-CD2 3.73Å; W64-L121 HydrophobicContact CG-CB 3.91Å; W64-L121 HydrophobicContact CG-CD1 4.48Å; W64-L121 HydrophobicContact CG-CD2 4.2Å; W64-L121 HydrophobicContact CG-CG 4.43Å; W64-L121 HydrophobicContact CH2-CB 4.36Å; W64-L121 HydrophobicContact CZ2-CB 3.91Å; W64-L121 HydrophobicContact CZ3-CB 4.46Å; W64-L121 HydrophobicContact CZ3-CD2 4.27Å; W64-F135 HydrophobicContact CE3-CB 4.11Å; W64-F135 HydrophobicContact CZ3-CB 4.01Å; W64-R136 CarbonylContact C-O 3.44Å; W64-C137 HydrophobicContact CD2-CB 4.29Å; W64-C137 HydrophobicContact CE3-CB 3.99Å; W64-C137 HydrophobicContact CH2-CB 3.99Å; W64-C137 HydrophobicContact CZ2-CB 4.27Å; W64-C137 HydrophobicContact CZ3-CB 3.83Å
65Y94.9Very high85.4Confident37 Ų3759.2 Ų59.215%0.14529%0.287CS..EExtended strand (participates in β ladder)trans-129.4148.2177.3-67.3-105.2000109.2Q71 Q72 R136 V138 E140Y65-Q71 CarbonylContact C-O 3.57Å; Y65-Q71 VanDerWaalsContact CA-O 3.27Å; Y65-Q71 WeakPolarHBondContact CA-O 3.08Å; Y65-Q72 HydrophobicContact CD1-CB 3.8Å; Y65-Q72 HydrophobicContact CD1-CG 4.13Å; Y65-Q72 HydrophobicContact CE1-CB 3.48Å; Y65-Q72 VanDerWaalsContact CE1-CB 3.48Å; Y65-Q72 HydrophobicContact CE1-CG 3.64Å; Y65-Q72 HydrophobicContact CE2-CG 4.05Å; Y65-Q72 VanDerWaalsContact OH-CD 3.26Å; Y65-Q72 PolarHBondContact OH-NE2 3.05Å; Y65-R136 PolarHBondContact N-O 3.13Å; Y65-R136 PolarHBondContact O-N 2.9Å; Y65-V138 HydrophobicContact CD2-CG2 3.74Å; Y65-V138 HydrophobicContact CE2-CG2 3.29Å; Y65-E140 PolarHBondContact OH-OE1 2.91Å
66R94Very high86Confident19 Ų1956.7 Ų56.77%0.07228%0.276CS..EExtended strand (participates in β ladder)trans-94.3131.4165.2-174.3171.155.5-158.4-13.4108.9V68 D69 K70 Q71 I73 R84 Y93 T133R66-V68 HydrophobicContact CG-CB 4.37Å; R66-D69 IonicContact CZ-OD1 2.75Å; R66-D69 IonicContact CZ-OD2 3.92Å; R66-D69 IonicContact NE-OD1 2.82Å; R66-D69 PolarHBondContact NE-OD1 3.2Å; R66-D69 IonicContact NE-OD2 3.6Å; R66-D69 VanDerWaalsContact NH2-CG 3.27Å; R66-D69 IonicContact NH2-OD1 2.66Å; R66-D69 PolarHBondContact NH2-OD1 3.29Å; R66-D69 IonicContact NH2-OD2 3.11Å; R66-D69 PolarHBondContact NH2-OD2 2.86Å; R66-K70 CarbonylContact O-C 3.6Å; R66-K70 VanDerWaalsContact O-CA 3.23Å; R66-K70 WeakPolarHBondContact O-CA 3.1Å; R66-K70 PolarHBondContact O-N 2.75Å; R66-K70 VanDerWaalsContact O-N 3.12Å; R66-Q71 PolarHBondContact N-O 2.97Å; R66-Q71 PolarHBondContact O-N 2.9Å; R66-I73 HydrophobicContact CB-CD1 4.11Å; R66-I73 HydrophobicContact CB-CG1 4.41Å; R66-R84 VanDerWaalsContact NH1-NE 3.18Å; R66-R84 VanDerWaalsContact NH2-CZ 3.25Å; R66-Y93 PolarHBondContact NH1-OH 3.23Å; R66-T133 HydrophobicContact CG-CG2 3.45Å; R66-T133 VanDerWaalsContact CG-CG2 3.45Å
67T92.3Very high86.7Confident48 Ų4851.9 Ų51.929%0.29426%0.262SS..SBendtrans-75.3-36.8-175.258.50000113D69 K70 Q134 R136 Y153T67-D69 VanDerWaalsContact C-N 3.29Å; T67-D69 PolarHBondContact O-N 3.04Å; T67-K70 PolarHBondContact O-N 2.88Å; T67-Q134 HydrophobicContact CG2-CB 4.22Å; T67-Q134 HydrophobicContact CG2-CG 4.17Å; T67-Q134 WeakPolarHBondContact CG2-O 3.21Å; T67-Q134 PolarHBondContact N-O 2.04Å; T67-Q134 VanDerWaalsContact N-O 3.07Å; T67-Q134 PolarHBondContact OG1-O 3.03Å; T67-R136 HydrophobicContact CG2-CB 3.9Å; T67-Y153 HydrophobicContact CG2-CD1 4.43Å; T67-Y153 HydrophobicContact CG2-CE1 4.33Å
68V90.3Very high87.9Confident101 Ų10147 Ų4761%0.61225%0.245SC*.THydrogen-bonded Turntrans-52.3-43.6-175.1168.40000112.9R66 T133R66-V68 HydrophobicContact CG-CB 4.37Å; V68-T133 HydrophobicContact CG2-CG2 4.29Å
69D90.6Very high89.1Confident65 Ų6546.8 Ų46.835%0.34825%0.245SC..THydrogen-bonded Turntrans-12111.1-179.865.2-18.1000113.7R66 T67 Q71 R84R66-D69 IonicContact CZ-OD1 2.75Å; R66-D69 IonicContact CZ-OD2 3.92Å; R66-D69 IonicContact NE-OD1 2.82Å; R66-D69 PolarHBondContact NE-OD1 3.2Å; R66-D69 IonicContact NE-OD2 3.6Å; R66-D69 VanDerWaalsContact NH2-CG 3.27Å; R66-D69 IonicContact NH2-OD1 2.66Å; R66-D69 PolarHBondContact NH2-OD1 3.29Å; R66-D69 IonicContact NH2-OD2 3.11Å; R66-D69 PolarHBondContact NH2-OD2 2.86Å; T67-D69 VanDerWaalsContact C-N 3.29Å; T67-D69 PolarHBondContact O-N 3.04Å; D69-Q71 PolarHBondContact O-N 2.62Å; D69-Q71 VanDerWaalsContact OD1-CB 3.27Å; D69-Q71 WeakPolarHBondContact OD1-CB 3.36Å; D69-Q71 PolarHBondContact OD1-N 2.73Å; D69-R84 IonicContact OD2-NH2 3.27Å; D69-R84 PolarHBondContact OD2-NH2 3.32Å
70K90Very high90.4Very high182 Ų18244.1 Ų44.179%0.79123%0.232SC*.  trans54.122.9-176.4-55.2178.8-179.31780113.6R66 T67R66-K70 CarbonylContact O-C 3.6Å; R66-K70 VanDerWaalsContact O-CA 3.23Å; R66-K70 WeakPolarHBondContact O-CA 3.1Å; R66-K70 PolarHBondContact O-N 2.75Å; R66-K70 VanDerWaalsContact O-N 3.12Å; T67-K70 PolarHBondContact O-N 2.88Å
71Q91.6Very high91Very high26 Ų2649.9 Ų49.912%0.12126%0.261CS..  trans-72.4129.8-179.5-176.3-176.416.400110.6Y65 R66 D69 I73 P82Y65-Q71 CarbonylContact C-O 3.57Å; Y65-Q71 VanDerWaalsContact CA-O 3.27Å; Y65-Q71 WeakPolarHBondContact CA-O 3.08Å; R66-Q71 PolarHBondContact N-O 2.97Å; R66-Q71 PolarHBondContact O-N 2.9Å; D69-Q71 PolarHBondContact O-N 2.62Å; D69-Q71 VanDerWaalsContact OD1-CB 3.27Å; D69-Q71 WeakPolarHBondContact OD1-CB 3.36Å; D69-Q71 PolarHBondContact OD1-N 2.73Å; Q71-I73 PolarHBondContact O-N 3.38Å; Q71-P82 PolarHBondContact NE2-O 3.07Å
72Q93.6Very high91.2Very high52 Ų5251.3 Ų51.324%0.24328%0.276CS..BIsolated β-bridgetrans-72.1120.6164.8-168.7172.510.500109.6Y65 S74 K80 E140Y65-Q72 HydrophobicContact CD1-CB 3.8Å; Y65-Q72 HydrophobicContact CD1-CG 4.13Å; Y65-Q72 HydrophobicContact CE1-CB 3.48Å; Y65-Q72 VanDerWaalsContact CE1-CB 3.48Å; Y65-Q72 HydrophobicContact CE1-CG 3.64Å; Y65-Q72 HydrophobicContact CE2-CG 4.05Å; Y65-Q72 VanDerWaalsContact OH-CD 3.26Å; Y65-Q72 PolarHBondContact OH-NE2 3.05Å; Q72-S74 WeakPolarHBondContact CG-O 3.44Å; Q72-S74 PolarHBondContact NE2-O 3.43Å; Q72-S74 VanDerWaalsContact NE2-O 3.08Å; Q72-K80 HydrophobicContact CG-CG 3.99Å; Q72-K80 WeakPolarHBondContact O-CB 3.35Å; Q72-E140 PolarHBondContact NE2-OE1 2.77Å
73I94.1Very high90.8Very high5 Ų553.3 Ų53.33%0.02629%0.288CS..  trans-86.1-43.6178.2-58.4171.8000109.9W64 R66 Q71 L79 K80 Y93 L121 F135W64-I73 HydrophobicContact CB-CB 4.21Å; W64-I73 WeakPolarHBondContact O-CA 3.06Å; W64-I73 WeakPolarHBondContact O-CB 3.28Å; W64-I73 PolarHBondContact O-N 2.7Å; R66-I73 HydrophobicContact CB-CD1 4.11Å; R66-I73 HydrophobicContact CB-CG1 4.41Å; Q71-I73 PolarHBondContact O-N 3.38Å; I73-L79 HydrophobicContact CG2-CD2 4.21Å; I73-L79 WeakPolarHBondContact O-CA 3.3Å; I73-K80 PolarHBondContact O-N 2.88Å; I73-Y93 HydrophobicContact CD1-CD2 4.47Å; I73-Y93 HydrophobicContact CD1-CE2 4.44Å; I73-Y93 HydrophobicContact CG1-CD2 4.35Å; I73-Y93 HydrophobicContact CG1-CE2 4.48Å; I73-Y93 HydrophobicContact CG2-CD2 3.86Å; I73-Y93 HydrophobicContact CG2-CG 3.75Å; I73-L121 HydrophobicContact CD1-CD1 4.48Å; I73-L121 HydrophobicContact CD1-CD2 4.14Å; I73-L121 HydrophobicContact CG2-CD1 3.96Å; I73-F135 HydrophobicContact CD1-CD1 3.68Å; I73-F135 HydrophobicContact CD1-CE1 3.82Å
74S93.9Very high90.3Very high0 Ų059.2 Ų59.20%031%0.31CS..EExtended strand (participates in β ladder)trans-148.4163.2-176.979.10000113.4S63 W64 Q72 G76 T78S63-S74 WeakPolarHBondContact CA-O 3.29Å; S63-S74 WeakPolarHBondContact CB-O 3.23Å; S63-S74 PolarHBondContact OG-O 2.85Å; W64-S74 PolarHBondContact N-O 2.82Å; W64-S74 PolarHBondContact N-OG 2.65Å; W64-S74 PolarHBondContact O-N 2.85Å; W64-S74 VanDerWaalsContact O-N 3.17Å; Q72-S74 WeakPolarHBondContact CG-O 3.44Å; Q72-S74 PolarHBondContact NE2-O 3.43Å; Q72-S74 VanDerWaalsContact NE2-O 3.08Å; S74-G76 PolarHBondContact OG-O 3.01Å; S74-T78 CarbonylContact C-O 3.59Å; S74-T78 VanDerWaalsContact CA-O 3.22Å; S74-T78 WeakPolarHBondContact CA-O 3.21Å; S74-T78 WeakPolarHBondContact CB-O 3.37Å
75S90.8Very high89.7Confident12 Ų1268.3 Ų68.38%0.08435%0.345CS..EExtended strand (participates in β ladder)trans-131.8101.5171.81720000107Q61 S63 S77 T78Q61-S75 PolarHBondContact NE2-OG 2.75Å; Q61-S75 PolarHBondContact OE1-OG 3.18Å; S63-S75 WeakPolarHBondContact OG-CA 3.37Å; S75-S77 PolarHBondContact O-N 2.86Å; S75-T78 PolarHBondContact N-O 2.86Å; S75-T78 PolarHBondContact O-N 2.93Å
76G88Confident88.9Confident2 Ų267.6 Ų67.62%0.02135%0.349CS..THydrogen-bonded Turntrans58.3-128.3-165.800000110.9I62 S74 T78 V95 Y119I62-G76 WeakPolarHBondContact O-CA 3.33Å; I62-G76 PolarHBondContact O-N 2.87Å; S74-G76 PolarHBondContact OG-O 3.01Å; G76-T78 VanDerWaalsContact C-N 3.31Å; G76-V95 WeakPolarHBondContact O-CG1 3.43Å; G76-Y119 VanDerWaalsContact CA-CE1 3.49Å
77S86.6Confident88.4Confident73 Ų7369.9 Ų69.951%0.5137%0.366SS..THydrogen-bonded Turntrans-82.7-5.9177.352.50000113.8S75S75-S77 PolarHBondContact O-N 2.86Å
78T90.1Very high88.1Confident87 Ų8776.8 Ų76.853%0.53440%0.395SS..EExtended strand (participates in β ladder)trans-94124-175.2-55.20000110.4S74 S75 G76S74-T78 CarbonylContact C-O 3.59Å; S74-T78 VanDerWaalsContact CA-O 3.22Å; S74-T78 WeakPolarHBondContact CA-O 3.21Å; S74-T78 WeakPolarHBondContact CB-O 3.37Å; S75-T78 PolarHBondContact N-O 2.86Å; S75-T78 PolarHBondContact O-N 2.93Å; G76-T78 VanDerWaalsContact C-N 3.31Å
79L91.3Very high87.9Confident50 Ų5073.8 Ų73.826%0.26238%0.384SS..EExtended strand (participates in β ladder)trans-71.1146.8172.8-68.5174.3000110.9I73 V83 Y93 V95I73-L79 HydrophobicContact CG2-CD2 4.21Å; I73-L79 WeakPolarHBondContact O-CA 3.3Å; L79-V83 HydrophobicContact CB-CG2 4.23Å; L79-V83 HydrophobicContact CD1-CG1 4.38Å; L79-Y93 WeakPolarHBondContact CD1-O 3.39Å; L79-V95 HydrophobicContact CD2-CG2 4.11Å
80K92Very high87.8Confident83 Ų8373.5 Ų73.536%0.36139%0.385SS..PPolyproline II helixtrans-102.6143.5176-68.7-66.2-174.3-179.90111.2Q72 I73Q72-K80 HydrophobicContact CG-CG 3.99Å; Q72-K80 WeakPolarHBondContact O-CB 3.35Å; I73-K80 PolarHBondContact O-N 2.88Å
81D86.9Confident87.9Confident140 Ų14066.5 Ų66.575%0.74936%0.358SS*.SBendtrans-75.8148.1174.2-74.4-54.1000112
82P84.6Confident87.9Confident96 Ų9666.1 Ų66.162%0.62336%0.357SS*.SBendcis-79.4127.1-1.130.9-33.8000112.4Q71 R84Q71-P82 PolarHBondContact NE2-O 3.07Å; P82-R84 PolarHBondContact O-N 3.18Å
83V81.9Confident88Confident42 Ų4264.1 Ų64.126%0.25535%0.347SS..  trans-73.9111.7175-177.20000109.8L79 R85 S91L79-V83 HydrophobicContact CB-CG2 4.23Å; L79-V83 HydrophobicContact CD1-CG1 4.38Å; V83-R85 PolarHBondContact O-N 3.46Å; V83-S91 WeakPolarHBondContact CG1-OG 3.34Å
84R82.5Confident88Confident124 Ų12464.6 Ų64.647%0.46835%0.352SS..  trans-63127.3173.4-70.8-169.7-177.1-106.93.6110.1R66 D69 P82 S91 K92R66-R84 VanDerWaalsContact NH1-NE 3.18Å; R66-R84 VanDerWaalsContact NH2-CZ 3.25Å; D69-R84 IonicContact OD2-NH2 3.27Å; D69-R84 PolarHBondContact OD2-NH2 3.32Å; P82-R84 PolarHBondContact O-N 3.18Å; R84-S91 WeakPolarHBondContact O-CA 3.42Å; R84-K92 HydrophobicContact CB-CB 4.1Å; R84-K92 WeakPolarHBondContact O-CB 3.37Å; R84-K92 PolarHBondContact O-N 2.83Å
85R84.3Confident88Confident190 Ų19065.5 Ų65.572%0.71736%0.357SS*.BIsolated β-bridgetrans-102.5134.2177.2-60.4-174-174.1-142.35.3110.1V83V83-R85 PolarHBondContact O-N 3.46Å
86G78.2Confident88.1Confident23 Ų2370.6 Ų70.624%0.23737%0.374CS..  trans-89.7-16117000000111.9G89 V90G86-G89 PolarHBondContact O-N 3.19Å; G86-V90 PolarHBondContact N-O 3.47Å
87P82.8Confident88.2Confident67 Ų6774.2 Ų74.244%0.43539%0.39SS..G310 helixtrans-52.8144.8176.3-24.634.4000112.3G89 V90 F125P87-G89 PolarHBondContact O-N 3.36Å; P87-G89 VanDerWaalsContact O-N 3.11Å; P87-V90 PolarHBondContact O-N 3.34Å; P87-F125 HydrophobicContact CG-CD1 4.31Å; P87-F125 HydrophobicContact CG-CG 4.38Å
88H86.8Confident88.2Confident192 Ų19273 Ų7389%0.88938%0.377SS*.G310 helixtrans6017.6178.8-48.8-76.3000115.3V90H88-V90 VanDerWaalsContact C-N 3.29Å; H88-V90 PolarHBondContact O-N 3.4Å
89G86.1Confident87.5Confident38 Ų3873.8 Ų73.839%0.39238%0.384SS..G310 helixtrans80.34.6176.400000114.9G86 P87G86-G89 PolarHBondContact O-N 3.19Å; P87-G89 PolarHBondContact O-N 3.36Å; P87-G89 VanDerWaalsContact O-N 3.11Å
90V88.7Confident86.6Confident59 Ų5973.8 Ų73.836%0.35840%0.396SS..  trans-71.8132.8176.9178.20000110G86 P87 H88 K92 F125G86-V90 PolarHBondContact N-O 3.47Å; P87-V90 PolarHBondContact O-N 3.34Å; H88-V90 VanDerWaalsContact C-N 3.29Å; H88-V90 PolarHBondContact O-N 3.4Å; V90-K92 PolarHBondContact O-N 3.11Å; V90-F125 HydrophobicContact CB-CE2 3.9Å; V90-F125 HydrophobicContact CB-CZ 4.07Å; V90-F125 HydrophobicContact CG1-CE2 3.93Å; V90-F125 HydrophobicContact CG1-CZ 4.19Å
91S90.5Very high85.3Confident35 Ų3578.3 Ų78.325%0.24541%0.411CS..BIsolated β-bridgetrans-57.2129.5175.9-51.10000111.8V83 R84 Y93 R124V83-S91 WeakPolarHBondContact CG1-OG 3.34Å; R84-S91 WeakPolarHBondContact O-CA 3.42Å; S91-Y93 VanDerWaalsContact C-N 3.27Å; S91-Y93 VanDerWaalsContact CB-O 3.31Å; S91-Y93 WeakPolarHBondContact CB-O 3.46Å; S91-Y93 PolarHBondContact O-N 3.12Å; S91-R124 PolarHBondContact O-NH1 2.98Å
92K92.9Very high84.2Confident19 Ų1973 Ų738%0.08338%0.384CS..SBendtrans-56.7-43.7174178.484.2-172.5-171.10110.4R84 V90 R124 F125 D127 D130R84-K92 HydrophobicContact CB-CB 4.1Å; R84-K92 WeakPolarHBondContact O-CB 3.37Å; R84-K92 PolarHBondContact O-N 2.83Å; V90-K92 PolarHBondContact O-N 3.11Å; K92-R124 VanDerWaalsContact CD-O 3.22Å; K92-R124 WeakPolarHBondContact CD-O 3.31Å; K92-R124 WeakPolarHBondContact CE-O 3.42Å; K92-R124 PolarHBondContact NZ-O 2.62Å; K92-R124 PolarHBondContact O-N 3.13Å; K92-F125 PolarHBondContact NZ-O 2.92Å; K92-D127 IonicContact NZ-OD2 2.9Å; K92-D127 PolarHBondContact NZ-OD2 2.85Å; K92-D130 WeakPolarHBondContact CE-OD1 3.34Å; K92-D130 WeakPolarHBondContact CE-OD2 3.44Å; K92-D130 IonicContact NZ-OD1 2.94Å; K92-D130 IonicContact NZ-OD2 3.53Å; K92-D130 PolarHBondContact NZ-OD2 3.05Å
93Y94.7Very high83.2Confident9 Ų975 Ų754%0.03540%0.4CS..EExtended strand (participates in β ladder)trans-105.1144.4179.1-53.5-57.1000111.2R66 I73 L79 S91 L121 I122 V123 F135R66-Y93 PolarHBondContact NH1-OH 3.23Å; I73-Y93 HydrophobicContact CD1-CD2 4.47Å; I73-Y93 HydrophobicContact CD1-CE2 4.44Å; I73-Y93 HydrophobicContact CG1-CD2 4.35Å; I73-Y93 HydrophobicContact CG1-CE2 4.48Å; I73-Y93 HydrophobicContact CG2-CD2 3.86Å; I73-Y93 HydrophobicContact CG2-CG 3.75Å; L79-Y93 WeakPolarHBondContact CD1-O 3.39Å; S91-Y93 VanDerWaalsContact C-N 3.27Å; S91-Y93 VanDerWaalsContact CB-O 3.31Å; S91-Y93 WeakPolarHBondContact CB-O 3.46Å; S91-Y93 PolarHBondContact O-N 3.12Å; Y93-L121 HydrophobicContact CD1-CD1 4.39Å; Y93-I122 CarbonylContact C-O 3.53Å; Y93-I122 WeakPolarHBondContact CA-O 3.4Å; Y93-V123 HydrophobicContact CD1-CB 4.39Å; Y93-V123 HydrophobicContact CD1-CG1 4.19Å; Y93-V123 HydrophobicContact CD1-CG2 3.94Å; Y93-V123 HydrophobicContact CE1-CB 4.42Å; Y93-V123 HydrophobicContact CE1-CG1 3.84Å; Y93-V123 HydrophobicContact CE1-CG2 3.98Å; Y93-F135 AromaticContact CE1-CE1 3.75Å; Y93-F135 HydrophobicContact CE1-CE1 3.75Å; Y93-F135 HydrophobicContact CE1-CZ 4.06Å
94A94Very high82.1Confident16 Ų1681.4 Ų81.413%0.13242%0.421CS..EExtended strand (participates in β ladder)trans-139.8152.7163.900000108.8I122A94-I122 HydrophobicContact CB-CB 4.14Å; A94-I122 HydrophobicContact CB-CD1 4.33Å; A94-I122 PolarHBondContact N-O 2.94Å; A94-I122 WeakPolarHBondContact O-CA 3.43Å; A94-I122 WeakPolarHBondContact O-CB 3.42Å; A94-I122 PolarHBondContact O-N 3.48Å
95V94.7Very high80.9Confident18 Ų1876.1 Ų76.111%0.10940%0.404CS..EExtended strand (participates in β ladder)trans-128.2138175.8-178.50000109G76 L79 Y119 Q120 L121G76-V95 WeakPolarHBondContact O-CG1 3.43Å; L79-V95 HydrophobicContact CD2-CG2 4.11Å; V95-Y119 HydrophobicContact CG1-CD1 4.12Å; V95-Q120 WeakPolarHBondContact CA-O 3.29Å; V95-L121 HydrophobicContact CG2-CD1 3.87Å
96R92.2Very high79.6Confident119 Ų11971.8 Ų71.845%0.44940%0.4SS..EExtended strand (participates in β ladder)trans-133.4145.9173.866.6176.5175.2166.11.6111.3L98 Q120 I122R96-L98 HydrophobicContact CG-CD2 4.16Å; R96-Q120 HydrophobicContact CG-CB 4.08Å; R96-Q120 PolarHBondContact N-O 2.96Å; R96-Q120 PolarHBondContact O-N 3.39Å; R96-I122 HydrophobicContact CG-CD1 4.1Å
97F89.6Confident78.7Confident78 Ų7876.9 Ų76.934%0.34242%0.422SS..EExtended strand (participates in β ladder)trans-81.9131.2168.8176.1-115.6000109.3P99 R117 T118 Y119F97-P99 HydrophobicContact CE1-CB 3.86Å; F97-P99 HydrophobicContact CZ-CB 4.41Å; F97-R117 HydrophobicContact CE2-CB 4.12Å; F97-R117 HydrophobicContact CE2-CG 4.42Å; F97-T118 WeakPolarHBondContact CD2-O 3.1Å; F97-Y119 HydrophobicContact CB-CE1 4.14Å; F97-Y119 HydrophobicContact CD2-CD2 4.24Å; F97-Y119 HydrophobicContact CD2-CE1 4.35Å; F97-Y119 AromaticContact CD2-CE2 3.91Å; F97-Y119 HydrophobicContact CD2-CE2 3.91Å; F97-Y119 AromaticContact CD2-CZ 3.98Å; F97-Y119 HydrophobicContact CE2-CE2 4.42Å
98L87.4Confident77.7Confident47 Ų4775 Ų7525%0.24641%0.408CS..EExtended strand (participates in β ladder)trans-107.4105.3173.8-61.6178.9000108.6R96 T118 Q120R96-L98 HydrophobicContact CG-CD2 4.16Å; L98-T118 HydrophobicContact CB-CG2 4.29Å; L98-T118 HydrophobicContact CD1-CG2 4.22Å; L98-T118 PolarHBondContact N-O 2.89Å; L98-Q120 HydrophobicContact CD1-CB 3.94Å; L98-Q120 HydrophobicContact CG-CB 4.25Å
99P76.1Confident76.5Confident105 Ų10572.8 Ų72.868%0.68241%0.408SS*.  trans-71.6145.6174.329-32.6000110.8F97F97-P99 HydrophobicContact CE1-CB 3.86Å; F97-P99 HydrophobicContact CZ-CB 4.41Å
100G70.9Confident75.6Confident50 Ų5075.1 Ų75.152%0.51543%0.432SS..SBendtrans94.5-177.8172.800000115.5
101R65.9Low74.7Confident177 Ų17774.5 Ų74.567%0.66843%0.428SS*.  trans-67.9129.3-175-170.3-178.3-179-178.3-0.3110.5S103 M108 V113R101-S103 PolarHBondContact O-N 2.74Å; R101-M108 HydrophobicContact CG-SD 4.47Å; R101-V113 HydrophobicContact CB-CG1 4.23Å; R101-V113 HydrophobicContact CG-CG1 4.48Å
102P64.4Low73.9Confident30 Ų3076.1 Ų76.120%0.19543%0.434CS..  trans-54.6137.8168.2-21.931.5000110.7T51 Y104 A105 M108T51-P102 HydrophobicContact CG2-CG 4.22Å; P102-Y104 PolarHBondContact O-N 2.87Å; P102-Y104 VanDerWaalsContact O-N 3.13Å; P102-A105 HydrophobicContact CB-CB 4.3Å; P102-M108 HydrophobicContact CG-CE 3.98Å
103S62.5Low72.9Confident136 Ų13678.2 Ų78.295%0.95145%0.448SS*.SBendtrans-60.3-23.3178.9-41.30000112.8R101R101-S103 PolarHBondContact O-N 2.74Å
104Y58.1Low72.1Confident177 Ų17784.1 Ų84.169%0.69448%0.48SS*.  trans-131.696.2-177.6-153.6-99.6000108.6E36 P102E36-Y104 WeakPolarHBondContact OE1-CD1 3.36Å; P102-Y104 PolarHBondContact O-N 2.87Å; P102-Y104 VanDerWaalsContact O-N 3.13Å
105A58Low71.4Confident14 Ų1486.4 Ų86.412%0.11649%0.487CS..  trans-144.888176.200000109.4P102 N107 M108P102-A105 HydrophobicContact CB-CB 4.3Å; A105-N107 VanDerWaalsContact C-N 3.34Å; A105-N107 PolarHBondContact O-N 2.75Å; A105-M108 HydrophobicContact CB-CE 3.25Å; A105-M108 HydrophobicContact CB-CG 3.88Å; A105-M108 HydrophobicContact CB-SD 3.41Å; A105-M108 WeakPolarHBondContact CB-SD 3.41Å
106P57.8Low70.8Confident98 Ų9885.9 Ų85.964%0.63648%0.484SS*.SBendtrans-70.9-27.3-17024.4-30.8000113.3
107N58.6Low70.5Confident131 Ų13182.9 Ų82.970%0.70147%0.472SS*.  trans-125.180.3-174.3-68.9-26.1000112A105A105-N107 VanDerWaalsContact C-N 3.34Å; A105-N107 PolarHBondContact O-N 2.75Å
108M60.8Low70.5Confident26 Ų2679.5 Ų79.513%0.12846%0.458CS..  trans-113.922174.3-72.7-176.9161.800113.2R101 P102 A105 G110 V111 L116R101-M108 HydrophobicContact CG-SD 4.47Å; P102-M108 HydrophobicContact CG-CE 3.98Å; A105-M108 HydrophobicContact CB-CE 3.25Å; A105-M108 HydrophobicContact CB-CG 3.88Å; A105-M108 HydrophobicContact CB-SD 3.41Å; A105-M108 WeakPolarHBondContact CB-SD 3.41Å; M108-G110 PolarHBondContact O-N 3.35Å; M108-G110 VanDerWaalsContact O-N 3.14Å; M108-V111 HydrophobicContact CB-CB 4.44Å; M108-V111 PolarHBondContact O-N 2.92Å; M108-V111 VanDerWaalsContact O-N 3.15Å; M108-L116 HydrophobicContact CE-CD1 3.46Å; M108-L116 VanDerWaalsContact CE-CD1 3.46Å; M108-L116 HydrophobicContact CE-CD2 4.29Å; M108-L116 HydrophobicContact SD-CD1 3.92Å
109V63.3Low70.7Confident147 Ų14779 Ų7989%0.89145%0.453SS*.THydrogen-bonded Turntrans-63.5117.3-179.7-1770000109.5
110G66.5Low71.5Confident86 Ų8674.5 Ų74.589%0.88742%0.423SS*.THydrogen-bonded Turntrans84.94.2-179.600000115.7M108M108-G110 PolarHBondContact O-N 3.35Å; M108-G110 VanDerWaalsContact O-N 3.14Å
111V70.7Confident72.7Confident46 Ų4672.1 Ų72.128%0.27940%0.399SS..  trans-92.6129.1178.4-177.80000110.5V53 M108 V113 L116V53-V111 HydrophobicContact CG2-CG1 3.61Å; M108-V111 HydrophobicContact CB-CB 4.44Å; M108-V111 PolarHBondContact O-N 2.92Å; M108-V111 VanDerWaalsContact O-N 3.15Å; V111-V113 PolarHBondContact O-N 2.83Å; V111-V113 VanDerWaalsContact O-N 3.13Å; V111-L116 HydrophobicContact CG1-CD2 3.96Å; V111-L116 HydrophobicContact CG1-CG 4.39Å
112D73Confident74.2Confident70 Ų7064.6 Ų64.637%0.37437%0.371SS..  trans-71.2105.6171.6-175.4-7.5000110.1N114 K115D112-N114 PolarHBondContact O-N 2.95Å; D112-N114 WeakPolarHBondContact OD1-CB 3.29Å; D112-N114 PolarHBondContact OD1-N 2.75Å; D112-K115 HydrophobicContact CB-CB 4.3Å; D112-K115 HydrophobicContact CB-CD 4.02Å; D112-K115 HydrophobicContact CB-CG 4.14Å; D112-K115 PolarHBondContact O-N 2.76Å; D112-K115 VanDerWaalsContact O-N 3.08Å; D112-K115 WeakPolarHBondContact OD2-CD 3.09Å; D112-K115 VanDerWaalsContact OD2-CE 3.31Å; D112-K115 WeakPolarHBondContact OD2-CE 3.29Å; D112-K115 WeakPolarHBondContact OD2-CG 3.45Å
113V71.8Confident75.6Confident62 Ų6263.2 Ų63.238%0.37636%0.362SS..G310 helixtrans-60.9-29-177.1-173.70000111.8R101 V111 K115 L116R101-V113 HydrophobicContact CB-CG1 4.23Å; R101-V113 HydrophobicContact CG-CG1 4.48Å; V111-V113 PolarHBondContact O-N 2.83Å; V111-V113 VanDerWaalsContact O-N 3.13Å; V113-K115 VanDerWaalsContact C-N 3.25Å; V113-K115 PolarHBondContact O-N 2.96Å; V113-L116 HydrophobicContact CB-CD1 4.45Å; V113-L116 HydrophobicContact CG1-CD1 4.12Å; V113-L116 WeakPolarHBondContact O-CB 3.39Å; V113-L116 PolarHBondContact O-N 2.94Å
114N76.7Confident77.2Confident133 Ų13360.5 Ų60.571%0.71133%0.331SS*.G310 helixtrans-72.9-21.7-179.8-62.4-35.6000112.3D112 R117D112-N114 PolarHBondContact O-N 2.95Å; D112-N114 WeakPolarHBondContact OD1-CB 3.29Å; D112-N114 PolarHBondContact OD1-N 2.75Å; N114-R117 PolarHBondContact O-NH1 2.76Å
115K79.6Confident78.8Confident64 Ų6455.2 Ų55.228%0.27831%0.312SS..G310 helixtrans-89.9-2.7176.8-65.7-178.3-178.8-172.70113.2V53 I54 E55 D112 V113V53-K115 HydrophobicContact CG1-CB 3.67Å; V53-K115 HydrophobicContact CG1-CD 4.43Å; I54-K115 PolarHBondContact N-O 3.47Å; E55-K115 HydrophobicContact CG-CD 4.3Å; E55-K115 IonicContact OE1-NZ 2.72Å; E55-K115 PolarHBondContact OE1-NZ 2.04Å; D112-K115 HydrophobicContact CB-CB 4.3Å; D112-K115 HydrophobicContact CB-CD 4.02Å; D112-K115 HydrophobicContact CB-CG 4.14Å; D112-K115 PolarHBondContact O-N 2.76Å; D112-K115 VanDerWaalsContact O-N 3.08Å; D112-K115 WeakPolarHBondContact OD2-CD 3.09Å; D112-K115 VanDerWaalsContact OD2-CE 3.31Å; D112-K115 WeakPolarHBondContact OD2-CE 3.29Å; D112-K115 WeakPolarHBondContact OD2-CG 3.45Å; V113-K115 VanDerWaalsContact C-N 3.25Å; V113-K115 PolarHBondContact O-N 2.96Å
116L83.7Confident80.5Confident7 Ų754.7 Ų54.74%0.03731%0.307CS..EExtended strand (participates in β ladder)trans-69.1134.9175.7-68.4171.4000110.7T32 T51 V53 M108 V111 V113T32-L116 HydrophobicContact CG2-CD2 3.74Å; T51-L116 HydrophobicContact CG2-CB 4.5Å; T51-L116 HydrophobicContact CG2-CD2 3.86Å; V53-L116 HydrophobicContact CG2-CD2 3.84Å; M108-L116 HydrophobicContact CE-CD1 3.46Å; M108-L116 VanDerWaalsContact CE-CD1 3.46Å; M108-L116 HydrophobicContact CE-CD2 4.29Å; M108-L116 HydrophobicContact SD-CD1 3.92Å; V111-L116 HydrophobicContact CG1-CD2 3.96Å; V111-L116 HydrophobicContact CG1-CG 4.39Å; V113-L116 HydrophobicContact CB-CD1 4.45Å; V113-L116 HydrophobicContact CG1-CD1 4.12Å; V113-L116 WeakPolarHBondContact O-CB 3.39Å; V113-L116 PolarHBondContact O-N 2.94Å
117R85.3Confident82.1Confident57 Ų5752.6 Ų52.622%0.21529%0.291CS..EExtended strand (participates in β ladder)trans-128.7120172.8-62-65179.5-88.70.4108.4T51 A52 I54 I62 F97 N114 Y119T51-R117 WeakPolarHBondContact CA-O 3.34Å; A52-R117 PolarHBondContact N-O 2.82Å; A52-R117 PolarHBondContact O-N 2.67Å; I54-R117 HydrophobicContact CB-CG 4.06Å; I54-R117 HydrophobicContact CD1-CB 4.04Å; I54-R117 HydrophobicContact CD1-CG 4.17Å; I54-R117 HydrophobicContact CG1-CB 4.41Å; I54-R117 HydrophobicContact CG1-CG 4.31Å; I62-R117 WeakPolarHBondContact CD1-O 3.37Å; F97-R117 HydrophobicContact CE2-CB 4.12Å; F97-R117 HydrophobicContact CE2-CG 4.42Å; N114-R117 PolarHBondContact O-NH1 2.76Å; R117-Y119 HydrophobicContact CB-CE2 4.32Å
118T88.9Confident83.6Confident6 Ų650.2 Ų50.24%0.03728%0.277CS..EExtended strand (participates in β ladder)trans-111.6118.7178-530000109.6N49 C50 T51 F97 L98N49-T118 HydrophobicContact CB-CG2 4.09Å; C50-T118 WeakPolarHBondContact O-CA 3.4Å; T51-T118 PolarHBondContact OG1-OG1 3.39Å; F97-T118 WeakPolarHBondContact CD2-O 3.1Å; L98-T118 HydrophobicContact CB-CG2 4.29Å; L98-T118 HydrophobicContact CD1-CG2 4.22Å; L98-T118 PolarHBondContact N-O 2.89Å
119Y91.9Very high84.9Confident38 Ų3854 Ų5415%0.14930%0.298CS..EExtended strand (participates in β ladder)trans-109.5114.2173.1-78.4-95.3000109.4C50 I62 W64 G76 V95 F97 R117C50-Y119 PolarHBondContact N-O 3.25Å; C50-Y119 VanDerWaalsContact N-O 3.17Å; C50-Y119 PolarHBondContact O-N 2.88Å; I62-Y119 HydrophobicContact CB-CD2 3.58Å; I62-Y119 HydrophobicContact CB-CE2 4.25Å; I62-Y119 HydrophobicContact CB-CG 3.91Å; I62-Y119 HydrophobicContact CD1-CD2 3.81Å; I62-Y119 HydrophobicContact CG1-CD2 3.77Å; I62-Y119 HydrophobicContact CG1-CE2 4.31Å; I62-Y119 HydrophobicContact CG2-CD2 4.49Å; I62-Y119 HydrophobicContact CG2-CG 4.47Å; W64-Y119 WeakPolarHBondContact CZ2-O 3.36Å; W64-Y119 PolarHBondContact NE1-O 3.31Å; G76-Y119 VanDerWaalsContact CA-CE1 3.49Å; V95-Y119 HydrophobicContact CG1-CD1 4.12Å; F97-Y119 HydrophobicContact CB-CE1 4.14Å; F97-Y119 HydrophobicContact CD2-CD2 4.24Å; F97-Y119 HydrophobicContact CD2-CE1 4.35Å; F97-Y119 AromaticContact CD2-CE2 3.91Å; F97-Y119 HydrophobicContact CD2-CE2 3.91Å; F97-Y119 AromaticContact CD2-CZ 3.98Å; F97-Y119 HydrophobicContact CE2-CE2 4.42Å; R117-Y119 HydrophobicContact CB-CE2 4.32Å
120Q94Very high86.3Confident10 Ų1047.3 Ų47.35%0.04726%0.257CS..EExtended strand (participates in β ladder)trans-92.4120.1-180-179176.486.700110.4Y47 L48 N49 V95 R96 L98 I122Y47-Q120 HydrophobicContact CD1-CG 4.34Å; Y47-Q120 VanDerWaalsContact CD1-OE1 3.22Å; L48-Q120 CarbonylContact O-C 3.54Å; L48-Q120 VanDerWaalsContact O-CA 3.27Å; L48-Q120 WeakPolarHBondContact O-CA 3.49Å; N49-Q120 WeakPolarHBondContact OD1-CB 3.26Å; N49-Q120 WeakPolarHBondContact OD1-CG 3.31Å; N49-Q120 PolarHBondContact OD1-NE2 2.88Å; V95-Q120 WeakPolarHBondContact CA-O 3.29Å; R96-Q120 HydrophobicContact CG-CB 4.08Å; R96-Q120 PolarHBondContact N-O 2.96Å; R96-Q120 PolarHBondContact O-N 3.39Å; L98-Q120 HydrophobicContact CD1-CB 3.94Å; L98-Q120 HydrophobicContact CG-CB 4.25Å; Q120-I122 HydrophobicContact CG-CG1 4.29Å
121L96.1Very high87.4Confident0 Ų045 Ų450%023%0.23CC..EExtended strand (participates in β ladder)trans-81.5127.8165176.164.6000109.5Y47 L48 W64 I73 Y93 V95 V123 F135Y47-L121 WeakPolarHBondContact CA-O 3.31Å; L48-L121 HydrophobicContact CB-CB 4.34Å; L48-L121 HydrophobicContact CD1-CD2 4.3Å; L48-L121 PolarHBondContact N-O 2.74Å; L48-L121 PolarHBondContact O-N 3.47Å; W64-L121 HydrophobicContact CB-CD1 4.49Å; W64-L121 HydrophobicContact CB-CD2 4.34Å; W64-L121 HydrophobicContact CD2-CB 3.63Å; W64-L121 HydrophobicContact CD2-CD2 3.91Å; W64-L121 HydrophobicContact CD2-CG 4.33Å; W64-L121 HydrophobicContact CE3-CB 4.12Å; W64-L121 HydrophobicContact CE3-CD2 3.73Å; W64-L121 HydrophobicContact CG-CB 3.91Å; W64-L121 HydrophobicContact CG-CD1 4.48Å; W64-L121 HydrophobicContact CG-CD2 4.2Å; W64-L121 HydrophobicContact CG-CG 4.43Å; W64-L121 HydrophobicContact CH2-CB 4.36Å; W64-L121 HydrophobicContact CZ2-CB 3.91Å; W64-L121 HydrophobicContact CZ3-CB 4.46Å; W64-L121 HydrophobicContact CZ3-CD2 4.27Å; I73-L121 HydrophobicContact CD1-CD1 4.48Å; I73-L121 HydrophobicContact CD1-CD2 4.14Å; I73-L121 HydrophobicContact CG2-CD1 3.96Å; Y93-L121 HydrophobicContact CD1-CD1 4.39Å; V95-L121 HydrophobicContact CG2-CD1 3.87Å; L121-V123 HydrophobicContact CD2-CG2 4.23Å; L121-V123 HydrophobicContact CG-CG2 4.09Å; L121-F135 HydrophobicContact CD2-CB 4.09Å; L121-F135 HydrophobicContact CD2-CD1 3.41Å; L121-F135 VanDerWaalsContact CD2-CD1 3.41Å; L121-F135 HydrophobicContact CD2-CE1 3.98Å; L121-F135 HydrophobicContact CD2-CG 3.81Å
122I95.9Very high88Confident19 Ų1949.3 Ų49.310%0.09725%0.251CS..EExtended strand (participates in β ladder)trans-109.5117.8177.2-53.4174.2000107.1T45 A46 Y47 Y93 A94 R96 Q120 R124T45-I122 HydrophobicContact CG2-CG2 3.39Å; A46-I122 WeakPolarHBondContact O-CA 3.38Å; Y47-I122 HydrophobicContact CD1-CG1 3.98Å; Y47-I122 HydrophobicContact CD1-CG2 4.26Å; Y47-I122 HydrophobicContact CE1-CD1 4.42Å; Y47-I122 HydrophobicContact CE1-CG1 4.1Å; Y47-I122 HydrophobicContact CE1-CG2 3.91Å; Y93-I122 CarbonylContact C-O 3.53Å; Y93-I122 WeakPolarHBondContact CA-O 3.4Å; A94-I122 HydrophobicContact CB-CB 4.14Å; A94-I122 HydrophobicContact CB-CD1 4.33Å; A94-I122 PolarHBondContact N-O 2.94Å; A94-I122 WeakPolarHBondContact O-CA 3.43Å; A94-I122 WeakPolarHBondContact O-CB 3.42Å; A94-I122 PolarHBondContact O-N 3.48Å; R96-I122 HydrophobicContact CG-CD1 4.1Å; Q120-I122 HydrophobicContact CG-CG1 4.29Å; I122-R124 HydrophobicContact CG2-CG 4.2Å
123V95.2Very high88.9Confident0 Ų046.7 Ų46.70%024%0.237CC..EExtended strand (participates in β ladder)trans-107.5110.4174.7-174.30000108.1T45 A46 Y93 L121 V126 F135 I156T45-V123 CarbonylContact C-O 3.46Å; T45-V123 WeakPolarHBondContact CA-O 3.19Å; A46-V123 HydrophobicContact CB-CB 4.29Å; A46-V123 PolarHBondContact N-O 2.77Å; A46-V123 PolarHBondContact O-N 2.9Å; Y93-V123 HydrophobicContact CD1-CB 4.39Å; Y93-V123 HydrophobicContact CD1-CG1 4.19Å; Y93-V123 HydrophobicContact CD1-CG2 3.94Å; Y93-V123 HydrophobicContact CE1-CB 4.42Å; Y93-V123 HydrophobicContact CE1-CG1 3.84Å; Y93-V123 HydrophobicContact CE1-CG2 3.98Å; L121-V123 HydrophobicContact CD2-CG2 4.23Å; L121-V123 HydrophobicContact CG-CG2 4.09Å; V123-V126 HydrophobicContact CG1-CG2 4.37Å; V123-V126 WeakPolarHBondContact O-CG2 3.42Å; V123-F135 HydrophobicContact CG2-CE1 4.2Å; V123-F135 HydrophobicContact CG2-CE2 4.32Å; V123-F135 HydrophobicContact CG2-CZ 3.89Å; V123-I156 HydrophobicContact CB-CD1 3.93Å; V123-I156 HydrophobicContact CG1-CD1 4.12Å; V123-I156 HydrophobicContact CG2-CD1 3.83Å
124R94.6Very high90Very high80 Ų8047 Ų4730%0.30224%0.235SC..  trans-90156.5-178.9-62.2-176.5178129-5.7111.2T45 S91 K92 I122 V126T45-R124 HydrophobicContact CG2-CG 4.29Å; S91-R124 PolarHBondContact O-NH1 2.98Å; K92-R124 VanDerWaalsContact CD-O 3.22Å; K92-R124 WeakPolarHBondContact CD-O 3.31Å; K92-R124 WeakPolarHBondContact CE-O 3.42Å; K92-R124 PolarHBondContact NZ-O 2.62Å; K92-R124 PolarHBondContact O-N 3.13Å; I122-R124 HydrophobicContact CG2-CG 4.2Å; R124-V126 VanDerWaalsContact C-N 3.32Å; R124-V126 PolarHBondContact O-N 3.02Å
125F92.8Very high90.9Very high66 Ų6640.6 Ų40.629%0.28920%0.201SC..SBendtrans5351.5176.3-43.8-72.6000111.2G44 P87 V90 K92 D127G44-F125 PolarHBondContact O-N 2.94Å; G44-F125 VanDerWaalsContact O-N 3.12Å; P87-F125 HydrophobicContact CG-CD1 4.31Å; P87-F125 HydrophobicContact CG-CG 4.38Å; V90-F125 HydrophobicContact CB-CE2 3.9Å; V90-F125 HydrophobicContact CB-CZ 4.07Å; V90-F125 HydrophobicContact CG1-CE2 3.93Å; V90-F125 HydrophobicContact CG1-CZ 4.19Å; K92-F125 PolarHBondContact NZ-O 2.92Å; F125-D127 PolarHBondContact O-N 2.81Å
126V93.8Very high91.7Very high2 Ų240.6 Ų40.61%0.01220%0.199CC..  trans-56.5131.4-175.9172.20000110.3V40 E42 K43 G44 A46 V123 R124 D130 I156 V158V40-V126 HydrophobicContact CG1-CG2 4.45Å; E42-V126 CarbonylContact C-O 3.56Å; K43-V126 PolarHBondContact N-O 2.88Å; G44-V126 WeakPolarHBondContact O-CG2 3.45Å; G44-V126 PolarHBondContact O-N 2.87Å; A46-V126 HydrophobicContact CB-CG2 3.84Å; V123-V126 HydrophobicContact CG1-CG2 4.37Å; V123-V126 WeakPolarHBondContact O-CG2 3.42Å; R124-V126 VanDerWaalsContact C-N 3.32Å; R124-V126 PolarHBondContact O-N 3.02Å; V126-D130 VanDerWaalsContact CA-OD2 3.3Å; V126-D130 WeakPolarHBondContact CA-OD2 3.22Å; V126-D130 HydrophobicContact CG1-CB 4.3Å; V126-I156 HydrophobicContact CG1-CG2 4.05Å; V126-V158 HydrophobicContact CG1-CG2 3.57Å
127D91.8Very high92.3Very high55 Ų5540.3 Ų40.329%0.29420%0.197SC..  trans-131174.4-179.766.970.4000111.4K92 F125 N129 D130K92-D127 IonicContact NZ-OD2 2.9Å; K92-D127 PolarHBondContact NZ-OD2 2.85Å; F125-D127 PolarHBondContact O-N 2.81Å; D127-N129 PolarHBondContact O-N 3.13Å; D127-N129 VanDerWaalsContact OD1-CB 3.25Å; D127-N129 WeakPolarHBondContact OD1-CB 3.18Å; D127-N129 PolarHBondContact OD1-N 3.19Å; D127-N129 PolarHBondContact OD1-ND2 3Å; D127-D130 PolarHBondContact N-OD2 2.91Å; D127-D130 WeakPolarHBondContact O-CB 3.47Å; D127-D130 PolarHBondContact O-N 2.8Å
128I88.3Confident92.7Very high80 Ų8037.6 Ų37.641%0.4119%0.187SC..Hα-helixtrans-58.6-30.7-175.6-167.3160.6000113.4D130 A131I128-D130 VanDerWaalsContact C-N 3.27Å; I128-D130 PolarHBondContact O-N 2.79Å; I128-A131 VanDerWaalsContact O-CB 3.23Å; I128-A131 WeakPolarHBondContact O-CB 3.37Å; I128-A131 PolarHBondContact O-N 3.27Å; I128-A131 VanDerWaalsContact O-N 3.15Å
129N89.9Confident92.8Very high106 Ų10637.3 Ų37.357%0.56719%0.185SC*.Hα-helixtrans-72.9-24179.5-49-72.5000111.8D127 A131 T133D127-N129 PolarHBondContact O-N 3.13Å; D127-N129 VanDerWaalsContact OD1-CB 3.25Å; D127-N129 WeakPolarHBondContact OD1-CB 3.18Å; D127-N129 PolarHBondContact OD1-N 3.19Å; D127-N129 PolarHBondContact OD1-ND2 3Å; N129-A131 PolarHBondContact O-N 3.16Å; N129-T133 PolarHBondContact O-OG1 2.92Å
130D92.2Very high92.6Very high6 Ų636.8 Ų36.83%0.03218%0.184CC..Hα-helixtrans-70.4-24.8173.4-61.1-53.4000111.6K92 V126 D127 I128 D132 T133 I156K92-D130 WeakPolarHBondContact CE-OD1 3.34Å; K92-D130 WeakPolarHBondContact CE-OD2 3.44Å; K92-D130 IonicContact NZ-OD1 2.94Å; K92-D130 IonicContact NZ-OD2 3.53Å; K92-D130 PolarHBondContact NZ-OD2 3.05Å; V126-D130 VanDerWaalsContact CA-OD2 3.3Å; V126-D130 WeakPolarHBondContact CA-OD2 3.22Å; V126-D130 HydrophobicContact CG1-CB 4.3Å; D127-D130 PolarHBondContact N-OD2 2.91Å; D127-D130 WeakPolarHBondContact O-CB 3.47Å; D127-D130 PolarHBondContact O-N 2.8Å; I128-D130 VanDerWaalsContact C-N 3.27Å; I128-D130 PolarHBondContact O-N 2.79Å; D130-D132 VanDerWaalsContact C-N 3.3Å; D130-D132 PolarHBondContact O-N 3.45Å; D130-T133 PolarHBondContact O-N 3Å; D130-I156 HydrophobicContact CB-CD1 4.43Å
131A88.4Confident92.2Very high38 Ų3837 Ų3731%0.31419%0.186SC..Hα-helixtrans-64.6-35.5177.100000112.4I128 N129 T133 I156 V158I128-A131 VanDerWaalsContact O-CB 3.23Å; I128-A131 WeakPolarHBondContact O-CB 3.37Å; I128-A131 PolarHBondContact O-N 3.27Å; I128-A131 VanDerWaalsContact O-N 3.15Å; N129-A131 PolarHBondContact O-N 3.16Å; A131-T133 VanDerWaalsContact C-N 3.29Å; A131-I156 WeakPolarHBondContact CA-O 3.34Å; A131-V158 HydrophobicContact CB-CB 4.23Å; A131-V158 HydrophobicContact CB-CG2 3.74Å
132D84.7Confident91.5Very high137 Ų13746.7 Ų46.773%0.73322%0.222SC*.THydrogen-bonded Turntrans-86-4.1178.5-61.4-36000112.5D130D130-D132 VanDerWaalsContact C-N 3.3Å; D130-D132 PolarHBondContact O-N 3.45Å
133T91.5Very high90.9Very high14 Ų1452.4 Ų52.49%0.08626%0.258CS..PPolyproline II helixtrans-96122.6-174.6-64.10000111.2R66 V68 N129 D130 A131 F135R66-T133 HydrophobicContact CG-CG2 3.45Å; R66-T133 VanDerWaalsContact CG-CG2 3.45Å; V68-T133 HydrophobicContact CG2-CG2 4.29Å; N129-T133 PolarHBondContact O-OG1 2.92Å; D130-T133 PolarHBondContact O-N 3Å; A131-T133 VanDerWaalsContact C-N 3.29Å; T133-F135 HydrophobicContact CG2-CD2 4.44Å; T133-F135 HydrophobicContact CG2-CE1 4.21Å; T133-F135 HydrophobicContact CG2-CE2 3.89Å; T133-F135 HydrophobicContact CG2-CZ 3.77Å
134Q95.2Very high90.4Very high68 Ų6854.6 Ų54.632%0.31827%0.272SS..EExtended strand (participates in β ladder)trans-91.6135.8168-179.6168.789.500110.9T67 Y153 N155T67-Q134 HydrophobicContact CG2-CB 4.22Å; T67-Q134 HydrophobicContact CG2-CG 4.17Å; T67-Q134 WeakPolarHBondContact CG2-O 3.21Å; T67-Q134 PolarHBondContact N-O 2.04Å; T67-Q134 VanDerWaalsContact N-O 3.07Å; T67-Q134 PolarHBondContact OG1-O 3.03Å; Q134-Y153 HydrophobicContact CG-CD1 3.94Å; Q134-Y153 HydrophobicContact CG-CG 4.4Å; Q134-N155 WeakPolarHBondContact CG-OD1 3.39Å; Q134-N155 PolarHBondContact NE2-OD1 2.9Å
135F96.1Very high90.1Very high0 Ų053.9 Ų53.90%028%0.277CS..EExtended strand (participates in β ladder)trans-102.2133.8174.8-63.7-86.4000109.4L48 W64 I73 Y93 L121 V123 T133 Y153 G154 I156L48-F135 HydrophobicContact CD1-CB 3.85Å; L48-F135 HydrophobicContact CD1-CD2 3.6Å; L48-F135 HydrophobicContact CD1-CE2 4.42Å; L48-F135 HydrophobicContact CD1-CG 3.85Å; W64-F135 HydrophobicContact CE3-CB 4.11Å; W64-F135 HydrophobicContact CZ3-CB 4.01Å; I73-F135 HydrophobicContact CD1-CD1 3.68Å; I73-F135 HydrophobicContact CD1-CE1 3.82Å; Y93-F135 AromaticContact CE1-CE1 3.75Å; Y93-F135 HydrophobicContact CE1-CE1 3.75Å; Y93-F135 HydrophobicContact CE1-CZ 4.06Å; L121-F135 HydrophobicContact CD2-CB 4.09Å; L121-F135 HydrophobicContact CD2-CD1 3.41Å; L121-F135 VanDerWaalsContact CD2-CD1 3.41Å; L121-F135 HydrophobicContact CD2-CE1 3.98Å; L121-F135 HydrophobicContact CD2-CG 3.81Å; V123-F135 HydrophobicContact CG2-CE1 4.2Å; V123-F135 HydrophobicContact CG2-CE2 4.32Å; V123-F135 HydrophobicContact CG2-CZ 3.89Å; T133-F135 HydrophobicContact CG2-CD2 4.44Å; T133-F135 HydrophobicContact CG2-CE1 4.21Å; T133-F135 HydrophobicContact CG2-CE2 3.89Å; T133-F135 HydrophobicContact CG2-CZ 3.77Å; F135-Y153 CarbonylContact O-C 3.58Å; F135-Y153 WeakPolarHBondContact O-CA 3.38Å; F135-G154 PolarHBondContact N-O 3.32Å; F135-G154 PolarHBondContact O-N 3.03Å; F135-I156 HydrophobicContact CD2-CD1 4.28Å; F135-I156 HydrophobicContact CD2-CG1 4.38Å; F135-I156 HydrophobicContact CE2-CD1 3.52Å; F135-I156 HydrophobicContact CE2-CG1 4Å; F135-I156 HydrophobicContact CZ-CD1 4.18Å
136R95.5Very high89.9Confident64 Ų6454.8 Ų54.824%0.24229%0.288CS..EExtended strand (participates in β ladder)trans-109118.5-179.3179.3-169.7178.5-155.3-0.9108.7W64 Y65 T67 V138 V151 Y153W64-R136 CarbonylContact C-O 3.44Å; Y65-R136 PolarHBondContact N-O 3.13Å; Y65-R136 PolarHBondContact O-N 2.9Å; T67-R136 HydrophobicContact CG2-CB 3.9Å; R136-V138 HydrophobicContact CG-CG1 3.91Å; R136-V138 VanDerWaalsContact CZ-CG1 3.49Å; R136-V138 VanDerWaalsContact NE-CG1 3.26Å; R136-V151 HydrophobicContact CG-CG2 3.43Å; R136-V151 VanDerWaalsContact CG-CG2 3.43Å; R136-V151 VanDerWaalsContact NE-CG2 3.34Å; R136-Y153 HydrophobicContact CB-CD1 4.02Å; R136-Y153 HydrophobicContact CB-CE1 3.93Å; R136-Y153 HydrophobicContact CG-CD1 4.17Å; R136-Y153 HydrophobicContact CG-CE1 3.72Å
137C95.7Very high89.7Confident0 Ų061 Ų610%032%0.321CS..EExtended strand (participates in β ladder)trans-92.3133.8167.51740000109.2I35 C50 I62 S63 W64 V151 A152I35-C137 HydrophobicContact CD1-CB 3.74Å; C50-C137 HydrophobicContact CB-CB 3.66Å; C50-C137 WeakPolarHBondContact CB-SG 3.13Å; C50-C137 WeakPolarHBondContact SG-CB 3.31Å; C50-C137 CovalentContact SG-SG 2.02Å; C50-C137 PolarHBondContact SG-SG 2.97Å; I62-C137 WeakPolarHBondContact CG2-SG 3.4Å; S63-C137 WeakPolarHBondContact O-CA 3.42Å; W64-C137 HydrophobicContact CD2-CB 4.29Å; W64-C137 HydrophobicContact CE3-CB 3.99Å; W64-C137 HydrophobicContact CH2-CB 3.99Å; W64-C137 HydrophobicContact CZ2-CB 4.27Å; W64-C137 HydrophobicContact CZ3-CB 3.83Å; C137-V151 CarbonylContact O-C 3.58Å; C137-V151 VanDerWaalsContact O-CA 3.31Å; C137-V151 WeakPolarHBondContact O-CA 3.44Å; C137-V151 WeakPolarHBondContact O-CG2 3.4Å; C137-A152 HydrophobicContact CB-CB 4.48Å; C137-A152 PolarHBondContact N-O 2.88Å; C137-A152 PolarHBondContact O-N 3.3Å
138V94.1Very high89.5Confident0 Ų064.3 Ų64.30%034%0.335CS..EExtended strand (participates in β ladder)trans-132.5151.7174.2-58.10000111.6I62 S63 Y65 R136 E140 W149 P150 V151I62-V138 WeakPolarHBondContact CA-O 3.33Å; S63-V138 PolarHBondContact N-O 2.96Å; S63-V138 PolarHBondContact O-N 2.79Å; Y65-V138 HydrophobicContact CD2-CG2 3.74Å; Y65-V138 HydrophobicContact CE2-CG2 3.29Å; R136-V138 HydrophobicContact CG-CG1 3.91Å; R136-V138 VanDerWaalsContact CZ-CG1 3.49Å; R136-V138 VanDerWaalsContact NE-CG1 3.26Å; V138-E140 HydrophobicContact CG2-CG 4.12Å; V138-W149 HydrophobicContact CG2-CE3 4.29Å; V138-P150 VanDerWaalsContact CA-O 3.3Å; V138-P150 WeakPolarHBondContact CA-O 3.49Å; V138-V151 HydrophobicContact CG1-CB 4.28Å; V138-V151 HydrophobicContact CG1-CG2 4.04Å
139I91.4Very high89.7Confident0 Ų062.5 Ų62.50%032%0.323CS..EExtended strand (participates in β ladder)trans-93.9112.7163.5-52.5178.9000107.2P29 I31 A52 L141 P150P29-I139 HydrophobicContact CB-CD1 4.02Å; P29-I139 HydrophobicContact CB-CG2 4.37Å; P29-I139 HydrophobicContact CG-CD1 4.47Å; P29-I139 HydrophobicContact CG-CG2 3.97Å; I31-I139 HydrophobicContact CG1-CD1 3.92Å; I31-I139 HydrophobicContact CG1-CG1 4.02Å; A52-I139 HydrophobicContact CB-CD1 3.51Å; A52-I139 HydrophobicContact CB-CG1 4.16Å; I139-L141 HydrophobicContact CG2-CD2 4Å; I139-L141 HydrophobicContact CG2-CG 4.35Å; I139-L141 PolarHBondContact O-N 3.05Å; I139-P150 HydrophobicContact CB-CB 4.3Å; I139-P150 HydrophobicContact CB-CG 4.25Å; I139-P150 HydrophobicContact CD1-CB 3.94Å; I139-P150 HydrophobicContact CD1-CG 4.17Å; I139-P150 HydrophobicContact CG1-CB 4.15Å; I139-P150 PolarHBondContact N-O 2.81Å; I139-P150 VanDerWaalsContact N-O 3.08Å
140E87.6Confident89.8Confident28 Ų2858.1 Ų58.113%0.13130%0.301CS..EExtended strand (participates in β ladder)trans-76.2119.5177.9-63.4-177.7172.100109.8Q61 S63 Y65 Q72 V138 W149Q61-E140 HydrophobicContact CG-CB 4.5Å; Q61-E140 PolarHBondContact NE2-OE2 2.8Å; Q61-E140 PolarHBondContact O-N 3.49Å; Q61-E140 VanDerWaalsContact O-N 3.12Å; S63-E140 WeakPolarHBondContact CB-OE1 3.47Å; S63-E140 PolarHBondContact OG-OE1 2.98Å; S63-E140 PolarHBondContact OG-OE2 2.78Å; Y65-E140 PolarHBondContact OH-OE1 2.91Å; Q72-E140 PolarHBondContact NE2-OE1 2.77Å; V138-E140 HydrophobicContact CG2-CG 4.12Å; E140-W149 HydrophobicContact CB-CH2 4.15Å; E140-W149 HydrophobicContact CB-CZ3 4.14Å; E140-W149 HydrophobicContact CG-CE3 4.17Å; E140-W149 HydrophobicContact CG-CH2 4.09Å; E140-W149 HydrophobicContact CG-CZ3 3.68Å
141L85.9Confident89.8Confident14 Ų1460.6 Ų60.67%0.07332%0.316CS..  trans-117.1111.9-177.9-66.4179.1000108.9P29 S60 I139 T143 T144 W149 P150P29-L141 HydrophobicContact CG-CD2 3.59Å; S60-L141 WeakPolarHBondContact OG-CD2 3.18Å; I139-L141 HydrophobicContact CG2-CD2 4Å; I139-L141 HydrophobicContact CG2-CG 4.35Å; I139-L141 PolarHBondContact O-N 3.05Å; L141-T143 VanDerWaalsContact C-N 3.27Å; L141-T143 PolarHBondContact O-N 2.94Å; L141-T144 HydrophobicContact CB-CG2 4.16Å; L141-T144 WeakPolarHBondContact CB-OG1 3.37Å; L141-T144 HydrophobicContact CD1-CG2 4.11Å; L141-T144 WeakPolarHBondContact CD1-OG1 3.41Å; L141-T144 PolarHBondContact O-N 2.96Å; L141-W149 PolarHBondContact O-NE1 3.17Å; L141-P150 HydrophobicContact CD1-CG 4.34Å
142R80.7Confident90.1Very high203 Ų20359.3 Ų59.377%0.76631%0.305SS*.THydrogen-bonded Turntrans-61.4-33.6-172.5-66.8-172.1179.2-167.49.3114.1E59E59-R142 IonicContact OE2-CZ 3.95Å; E59-R142 IonicContact OE2-NE 2.87Å; E59-R142 IonicContact OE2-NH1 3.29Å; E59-R142 PolarHBondContact OE2-NH1 2.99Å; E59-R142 VanDerWaalsContact OE2-NH1 3.11Å; E59-R142 IonicContact OE2-NH2 3.32Å; E59-R142 PolarHBondContact OE2-NH2 2.96Å
143T83Confident90.7Very high139 Ų13958 Ų5885%0.85329%0.291SS*.THydrogen-bonded Turntrans-97.8-2.9-173.753.40000113.4L141L141-T143 VanDerWaalsContact C-N 3.27Å; L141-T143 PolarHBondContact O-N 2.94Å
144T84.7Confident90.8Very high46 Ų4657.3 Ų57.328%0.28229%0.286SS..SBendtrans-111.7146.1-179.868.10000111.3L141 W149L141-T144 HydrophobicContact CB-CG2 4.16Å; L141-T144 WeakPolarHBondContact CB-OG1 3.37Å; L141-T144 HydrophobicContact CD1-CG2 4.11Å; L141-T144 WeakPolarHBondContact CD1-OG1 3.41Å; L141-T144 PolarHBondContact O-N 2.96Å; T144-W149 PolarHBondContact O-NE1 2.83Å; T144-W149 PolarHBondContact OG1-NE1 3.01Å
145P89.6Confident90.8Very high65 Ų6557.1 Ų57.142%0.42229%0.287SS..  trans-54.8141.6172.5-25.935.7000112.4D147 Q148P145-D147 WeakPolarHBondContact CB-OD1 3.45Å; P145-D147 PolarHBondContact O-N 3.49Å; P145-Q148 HydrophobicContact CB-CG 4.33Å; P145-Q148 WeakPolarHBondContact O-CB 3.36Å; P145-Q148 PolarHBondContact O-N 2.75Å
146V87.9Confident90.8Very high85 Ų8557.2 Ų57.252%0.51529%0.288SS..G310 helixtrans-59.4-30.5-173.7178.30000113.2Q148 W149V146-Q148 VanDerWaalsContact C-N 3.26Å; V146-Q148 PolarHBondContact O-N 2.83Å; V146-W149 HydrophobicContact CB-CD2 4.46Å; V146-W149 HydrophobicContact CG1-CD2 4.31Å; V146-W149 HydrophobicContact CG1-CE3 4.05Å; V146-W149 HydrophobicContact CG1-CH2 4.47Å; V146-W149 HydrophobicContact CG1-CZ3 4.12Å; V146-W149 HydrophobicContact CG2-CH2 4Å; V146-W149 HydrophobicContact CG2-CZ2 3.83Å; V146-W149 HydrophobicContact CG2-CZ3 4.47Å; V146-W149 WeakPolarHBondContact O-CB 3.28Å; V146-W149 PolarHBondContact O-N 2.75Å
147D88.8Confident90.6Very high133 Ų13357.1 Ų57.171%0.71129%0.291SS*.G310 helixtrans-69.5-2217657.7-59.9000113.2P145P145-D147 WeakPolarHBondContact CB-OD1 3.45Å; P145-D147 PolarHBondContact O-N 3.49Å
148Q89.6Confident90.5Very high125 Ų12557.3 Ų57.358%0.58429%0.293SS*.G310 helixtrans-95.42.6179.1-60.2-178.83.500112.9P145 V146P145-Q148 HydrophobicContact CB-CG 4.33Å; P145-Q148 WeakPolarHBondContact O-CB 3.36Å; P145-Q148 PolarHBondContact O-N 2.75Å; V146-Q148 VanDerWaalsContact C-N 3.26Å; V146-Q148 PolarHBondContact O-N 2.83Å
149W90.9Very high90.4Very high41 Ų4160.2 Ų60.216%0.15531%0.305CS..SBendtrans-67.9132.3179.1-70.22.1000111.2V138 E140 L141 T144 V146 V151V138-W149 HydrophobicContact CG2-CE3 4.29Å; E140-W149 HydrophobicContact CB-CH2 4.15Å; E140-W149 HydrophobicContact CB-CZ3 4.14Å; E140-W149 HydrophobicContact CG-CE3 4.17Å; E140-W149 HydrophobicContact CG-CH2 4.09Å; E140-W149 HydrophobicContact CG-CZ3 3.68Å; L141-W149 PolarHBondContact O-NE1 3.17Å; T144-W149 PolarHBondContact O-NE1 2.83Å; T144-W149 PolarHBondContact OG1-NE1 3.01Å; V146-W149 HydrophobicContact CB-CD2 4.46Å; V146-W149 HydrophobicContact CG1-CD2 4.31Å; V146-W149 HydrophobicContact CG1-CE3 4.05Å; V146-W149 HydrophobicContact CG1-CH2 4.47Å; V146-W149 HydrophobicContact CG1-CZ3 4.12Å; V146-W149 HydrophobicContact CG2-CH2 4Å; V146-W149 HydrophobicContact CG2-CZ2 3.83Å; V146-W149 HydrophobicContact CG2-CZ3 4.47Å; V146-W149 WeakPolarHBondContact O-CB 3.28Å; V146-W149 PolarHBondContact O-N 2.75Å; W149-V151 PolarHBondContact O-N 3.29Å
150P91.7Very high90.4Very high15 Ų1566 Ų6610%0.09733%0.327CS..  trans-54.6130.8172.6-22.830.8000110.6P29 I31 V138 I139 L141P29-P150 WeakPolarHBondContact O-CG 3.42Å; I31-P150 HydrophobicContact CG1-CB 4.4Å; V138-P150 VanDerWaalsContact CA-O 3.3Å; V138-P150 WeakPolarHBondContact CA-O 3.49Å; I139-P150 HydrophobicContact CB-CB 4.3Å; I139-P150 HydrophobicContact CB-CG 4.25Å; I139-P150 HydrophobicContact CD1-CB 3.94Å; I139-P150 HydrophobicContact CD1-CG 4.17Å; I139-P150 HydrophobicContact CG1-CB 4.15Å; I139-P150 PolarHBondContact N-O 2.81Å; I139-P150 VanDerWaalsContact N-O 3.08Å; L141-P150 HydrophobicContact CD1-CG 4.34Å
151V93.6Very high90.7Very high58 Ų5867.3 Ų67.335%0.35234%0.343SS..EExtended strand (participates in β ladder)trans-135.5140.2-172.663.20000111.7I31 R136 C137 V138 W149 Y153I31-V151 VanDerWaalsContact CD1-C 3.45Å; R136-V151 HydrophobicContact CG-CG2 3.43Å; R136-V151 VanDerWaalsContact CG-CG2 3.43Å; R136-V151 VanDerWaalsContact NE-CG2 3.34Å; C137-V151 CarbonylContact O-C 3.58Å; C137-V151 VanDerWaalsContact O-CA 3.31Å; C137-V151 WeakPolarHBondContact O-CA 3.44Å; C137-V151 WeakPolarHBondContact O-CG2 3.4Å; V138-V151 HydrophobicContact CG1-CB 4.28Å; V138-V151 HydrophobicContact CG1-CG2 4.04Å; W149-V151 PolarHBondContact O-N 3.29Å; V151-Y153 HydrophobicContact CG1-CE2 4.2Å; V151-Y153 HydrophobicContact CG2-CD2 4.49Å; V151-Y153 HydrophobicContact CG2-CE1 4.09Å; V151-Y153 HydrophobicContact CG2-CE2 3.85Å
152A94.7Very high91.1Very high10 Ų1067.2 Ų67.28%0.08334%0.343CS..EExtended strand (participates in β ladder)trans-132.8152.6168.400000110.2I31 I35 C137I31-A152 HydrophobicContact CB-CB 4.47Å; I31-A152 HydrophobicContact CD1-CB 3.6Å; I31-A152 VanDerWaalsContact CD1-N 3.34Å; I31-A152 HydrophobicContact CG2-CB 3.78Å; I35-A152 HydrophobicContact CD1-CB 3.78Å; I35-A152 HydrophobicContact CG1-CB 4.07Å; C137-A152 HydrophobicContact CB-CB 4.48Å; C137-A152 PolarHBondContact N-O 2.88Å; C137-A152 PolarHBondContact O-N 3.3Å
153Y95.9Very high91.8Very high110 Ų11062.7 Ų62.743%0.43133%0.33SS..EExtended strand (participates in β ladder)trans-118.9136-177.8-60.5-82.1000110.4T67 Q134 F135 R136 V151T67-Y153 HydrophobicContact CG2-CD1 4.43Å; T67-Y153 HydrophobicContact CG2-CE1 4.33Å; Q134-Y153 HydrophobicContact CG-CD1 3.94Å; Q134-Y153 HydrophobicContact CG-CG 4.4Å; F135-Y153 CarbonylContact O-C 3.58Å; F135-Y153 WeakPolarHBondContact O-CA 3.38Å; R136-Y153 HydrophobicContact CB-CD1 4.02Å; R136-Y153 HydrophobicContact CB-CE1 3.93Å; R136-Y153 HydrophobicContact CG-CD1 4.17Å; R136-Y153 HydrophobicContact CG-CE1 3.72Å; V151-Y153 HydrophobicContact CG1-CE2 4.2Å; V151-Y153 HydrophobicContact CG2-CD2 4.49Å; V151-Y153 HydrophobicContact CG2-CE1 4.09Å; V151-Y153 HydrophobicContact CG2-CE2 3.85Å
154G95.2Very high92.3Very high0 Ų057.2 Ų57.20%030%0.296CS..EExtended strand (participates in β ladder)trans-124.7142175.400000110.5F135F135-G154 PolarHBondContact N-O 3.32Å; F135-G154 PolarHBondContact O-N 3.03Å
155N94.9Very high92.9Very high63 Ų6357.8 Ų57.834%0.33730%0.297SS..EExtended strand (participates in β ladder)trans-119.2160.3178.9-56.6-37.7000109.9T37 A38 Q134T37-N155 WeakPolarHBondContact CA-O 3.42Å; T37-N155 HydrophobicContact CG2-CB 4.28Å; T37-N155 WeakPolarHBondContact CG2-O 3.14Å; A38-N155 PolarHBondContact N-O 2.8Å; A38-N155 VanDerWaalsContact N-O 3.12Å; Q134-N155 WeakPolarHBondContact CG-OD1 3.39Å; Q134-N155 PolarHBondContact NE2-OD1 2.9Å
156I94.7Very high93Very high3 Ų360.9 Ų60.92%0.01532%0.317CS..EExtended strand (participates in β ladder)trans-114.7130.3171.5-60.1176.9000108A38 A46 L48 V123 V126 D130 A131 F135 V158A38-I156 HydrophobicContact CB-CG1 4.44Å; A38-I156 CarbonylContact O-C 3.56Å; A38-I156 WeakPolarHBondContact O-CA 3.31Å; A46-I156 HydrophobicContact CB-CD1 3.67Å; A46-I156 HydrophobicContact CB-CG1 4.04Å; A46-I156 HydrophobicContact CB-CG2 4.16Å; L48-I156 HydrophobicContact CD1-CG1 4.34Å; V123-I156 HydrophobicContact CB-CD1 3.93Å; V123-I156 HydrophobicContact CG1-CD1 4.12Å; V123-I156 HydrophobicContact CG2-CD1 3.83Å; V126-I156 HydrophobicContact CG1-CG2 4.05Å; D130-I156 HydrophobicContact CB-CD1 4.43Å; A131-I156 WeakPolarHBondContact CA-O 3.34Å; F135-I156 HydrophobicContact CD2-CD1 4.28Å; F135-I156 HydrophobicContact CD2-CG1 4.38Å; F135-I156 HydrophobicContact CE2-CD1 3.52Å; F135-I156 HydrophobicContact CE2-CG1 4Å; F135-I156 HydrophobicContact CZ-CD1 4.18Å; I156-V158 HydrophobicContact CG2-CG2 4.4Å
157I92.3Very high93.2Very high61 Ų6160 Ų6031%0.31332%0.324SS..EExtended strand (participates in β ladder)trans-102117.8168.2-70.1171.8000107.6T37 A38 V39 V40 S188T37-I157 HydrophobicContact CG2-CB 4.23Å; T37-I157 HydrophobicContact CG2-CD1 3.53Å; T37-I157 HydrophobicContact CG2-CG1 3.52Å; A38-I157 PolarHBondContact O-N 2.87Å; V39-I157 CarbonylContact C-O 3.49Å; V39-I157 WeakPolarHBondContact CA-O 3.01Å; V39-I157 HydrophobicContact CG1-CB 4.3Å; V39-I157 HydrophobicContact CG1-CG2 4.04Å; V39-I157 HydrophobicContact CG2-CB 4.25Å; V39-I157 HydrophobicContact CG2-CD1 4.48Å; V40-I157 PolarHBondContact N-O 3.32Å; I157-S188 VanDerWaalsContact CG2-OG 3.23Å; I157-S188 WeakPolarHBondContact CG2-OG 3.46Å
158V93.3Very high93.3Very high4 Ų454.1 Ų54.12%0.02429%0.293CS..EExtended strand (participates in β ladder)trans-83.9120.5172.8-176.10000109V40 E42 V126 A131 I156 R160 S188V40-V158 CarbonylContact O-C 3.57Å; V40-V158 VanDerWaalsContact O-CA 3.27Å; V40-V158 WeakPolarHBondContact O-CA 3.01Å; E42-V158 HydrophobicContact CG-CG1 3.71Å; V126-V158 HydrophobicContact CG1-CG2 3.57Å; A131-V158 HydrophobicContact CB-CB 4.23Å; A131-V158 HydrophobicContact CB-CG2 3.74Å; I156-V158 HydrophobicContact CG2-CG2 4.4Å; V158-R160 PolarHBondContact O-N 2.72Å; V158-S188 WeakPolarHBondContact O-CB 3.47Å; V158-S188 PolarHBondContact O-OG 3.41Å
159K92.2Very high93.5Very high61 Ų6151.8 Ų51.827%0.26529%0.288SS..EExtended strand (participates in β ladder)trans-64.9124.7179-71.8-174.3177.4-172.20110V39 V40 Q41 S188 V238V39-K159 HydrophobicContact CG1-CD 4.24Å; V39-K159 HydrophobicContact CG1-CG 3.68Å; V40-K159 PolarHBondContact O-N 3.37Å; Q41-K159 HydrophobicContact CG-CB 3.97Å; Q41-K159 HydrophobicContact CG-CD 3.91Å; Q41-K159 HydrophobicContact CG-CG 4.46Å; K159-S188 CarbonylContact C-O 3.59Å; K159-S188 VanDerWaalsContact CA-O 3.26Å; K159-S188 WeakPolarHBondContact CA-O 3.47Å; K159-V238 HydrophobicContact CB-CB 4.46Å; K159-V238 HydrophobicContact CB-CG1 3.94Å; K159-V238 HydrophobicContact CB-CG2 3.62Å; K159-V238 HydrophobicContact CD-CG2 4.03Å; K159-V238 HydrophobicContact CG-CG2 3.81Å
160R91.5Very high93.7Very high123 Ų12353.6 Ų53.646%0.46431%0.306SS..EExtended strand (participates in β ladder)trans-129.9133.7172-66.1-169.8-66.5-159.5-2.4109.6V158 S188 N236V158-R160 PolarHBondContact O-N 2.72Å; R160-S188 PolarHBondContact N-O 2.88Å; R160-S188 PolarHBondContact O-N 3.25Å; R160-S188 VanDerWaalsContact O-N 3.11Å; R160-S188 VanDerWaalsContact O-O 3.11Å; R160-N236 PolarHBondContact O-ND2 3.11Å
161A93Very high93.9Very high55 Ų5557.4 Ų57.446%0.45532%0.321SS..EExtended strand (participates in β ladder)trans-60.3153.1175.700000110.9
162P95.2Very high94Very high11 Ų1161 Ų617%0.07134%0.337CS..EExtended strand (participates in β ladder)trans-64.1143.8174.7-20.533.7000112.1Q186 P191 A234 N236 G240 A242P162-Q186 CarbonylContact C-O 3.56Å; P162-Q186 VanDerWaalsContact CA-O 3.3Å; P162-Q186 WeakPolarHBondContact CA-O 3.08Å; P162-P191 HydrophobicContact CB-CB 4.01Å; P162-P191 HydrophobicContact CG-CB 4.22Å; P162-A234 HydrophobicContact CB-CB 4.01Å; P162-A234 WeakPolarHBondContact CB-O 3.26Å; P162-N236 WeakPolarHBondContact CD-OD1 3.43Å; P162-N236 HydrophobicContact CG-CB 4.24Å; P162-G240 WeakPolarHBondContact CD-O 3.2Å; P162-A242 HydrophobicContact CB-CB 4.35Å; P162-A242 WeakPolarHBondContact O-CB 3.45Å
163E94.5Very high94.1Very high108 Ų10861 Ų6151%0.50534%0.337SS..EExtended strand (participates in β ladder)trans-137.1128.2171.9-177.2-174.7-179.500108.9A185 Q186E163-A185 CarbonylContact O-C 3.58Å; E163-A185 WeakPolarHBondContact O-CA 3.41Å; E163-A185 WeakPolarHBondContact O-CB 3.34Å; E163-Q186 HydrophobicContact CB-CG 3.98Å; E163-Q186 PolarHBondContact N-O 2.83Å; E163-Q186 PolarHBondContact O-N 3.38Å; E163-Q186 PolarHBondContact OE2-NE2 3.05Å
164I95.2Very high94.1Very high25 Ų2557.8 Ų57.813%0.12833%0.328CS..EExtended strand (participates in β ladder)trans-80.1126176.6-68.8168.9000108.9A185 C232 A234 A242 E243 Y244I164-A185 HydrophobicContact CG1-CB 4.32Å; I164-C232 HydrophobicContact CD1-CB 4.4Å; I164-A234 HydrophobicContact CD1-CB 4.45Å; I164-A234 HydrophobicContact CG1-CB 4Å; I164-A242 HydrophobicContact CD1-CB 4.11Å; I164-A242 HydrophobicContact CG1-CB 3.88Å; I164-E243 VanDerWaalsContact CD1-C 3.48Å; I164-Y244 HydrophobicContact CG2-CG 4.49Å
165L95.4Very high94.1Very high58 Ų5860.8 Ų60.830%0.30434%0.342SS..PPolyproline II helixtrans-74.8148.9179.3-63178.7000110.9R184 Q186L165-R184 HydrophobicContact CB-CB 4.24Å; L165-R184 HydrophobicContact CD1-CB 4.06Å; L165-R184 PolarHBondContact N-O 2.86Å; L165-Q186 HydrophobicContact CD2-CB 4.36Å; L165-Q186 HydrophobicContact CD2-CG 3.94Å
166P92.8Very high94Very high130 Ų13059.7 Ų59.784%0.84435%0.346SS*.THydrogen-bonded Turntrans-62.6151.417427.6-34.9000111.5
167G90.8Very high94Very high65 Ų6563.6 Ų63.667%0.6737%0.367SS*.THydrogen-bonded Turntrans128.8-14.5176.500000114.6T169G167-T169 PolarHBondContact O-N 2.93Å
168L92.4Very high94.1Very high10 Ų1064.2 Ų64.25%0.05238%0.377CS..  trans-80.2112.1167.8-178.957.4000109.3L181 C183 W195 C232 Y244 V246L168-L181 HydrophobicContact CD1-CB 4.25Å; L168-L181 HydrophobicContact CD1-CD2 4.38Å; L168-C183 HydrophobicContact CD2-CB 4.24Å; L168-W195 HydrophobicContact CD1-CH2 3.78Å; L168-W195 HydrophobicContact CD2-CH2 3.5Å; L168-W195 HydrophobicContact CD2-CZ2 4.42Å; L168-W195 HydrophobicContact CD2-CZ3 4.07Å; L168-W195 HydrophobicContact CG-CH2 4.3Å; L168-C232 HydrophobicContact CD2-CB 4.04Å; L168-Y244 HydrophobicContact CB-CD1 4.28Å; L168-Y244 HydrophobicContact CB-CE1 4.36Å; L168-Y244 HydrophobicContact CD2-CD1 3.81Å; L168-Y244 HydrophobicContact CG-CD1 4.1Å; L168-Y244 HydrophobicContact CG-CE1 4.35Å; L168-Y244 WeakPolarHBondContact O-CE1 3.44Å; L168-V246 HydrophobicContact CD1-CB 4.32Å; L168-V246 HydrophobicContact CD1-CG1 4.14Å; L168-V246 HydrophobicContact CD1-CG2 4.2Å; L168-V246 HydrophobicContact CD2-CB 4.32Å; L168-V246 HydrophobicContact CD2-CG1 4.2Å; L168-V246 HydrophobicContact CG-CB 4.06Å; L168-V246 HydrophobicContact CG-CG1 4.24Å; L168-V246 HydrophobicContact CG-CG2 4.24Å
169T93.9Very high94.1Very high77 Ų7764.6 Ų64.647%0.47238%0.378SS..  trans-127.5154.3-177.265.20000111.2G167 V246G167-T169 PolarHBondContact O-N 2.93Å; T169-V246 VanDerWaalsContact O-CG2 3.24Å; T169-V246 WeakPolarHBondContact O-CG2 2.94Å
170S95.3Very high94.2Very high79 Ų7964.9 Ų64.955%0.55239%0.386SS*.  trans-55145.7175.4-57.30000111.9M247S170-M247 CarbonylContact C-O 3.57Å; S170-M247 WeakPolarHBondContact CA-O 3.29Å; S170-M247 VanDerWaalsContact CB-O 3.29Å; S170-M247 WeakPolarHBondContact CB-O 3.25Å; S170-M247 PolarHBondContact OG-N 2.91Å
171K95.6Very high94.3Very high95 Ų9559.2 Ų59.241%0.41336%0.364SS..EExtended strand (participates in β ladder)trans-125.7142.3-176.8-67.3-64.8-176.8-179.60110.5L179 L181 M247 V248 E249K171-L179 HydrophobicContact CB-CD1 3.83Å; K171-L179 HydrophobicContact CG-CD1 4.02Å; K171-L181 HydrophobicContact CG-CD2 3.78Å; K171-M247 PolarHBondContact N-O 2.78Å; K171-V248 WeakPolarHBondContact O-CA 3.25Å; K171-E249 PolarHBondContact O-N 3.07Å
172I95.8Very high94.3Very high132 Ų13259.1 Ų59.168%0.67736%0.358SS*.EExtended strand (participates in β ladder)trans-113.2124.3169.9-59.1171.5000105.9E249 N251I172-E249 WeakPolarHBondContact CA-O 3.35Å; I172-E249 HydrophobicContact CG1-CB 4.12Å; I172-N251 WeakPolarHBondContact CG2-ND2 3.14Å
173V95.8Very high94.3Very high12 Ų1258.6 Ų58.67%0.07336%0.355CS..EExtended strand (participates in β ladder)trans-136154.5-175.958.60000109.8D177 V222 V248 E249 V250 N251V173-D177 HydrophobicContact CG2-CB 3.7Å; V173-V222 HydrophobicContact CG1-CB 4.47Å; V173-V222 HydrophobicContact CG1-CG1 3.89Å; V173-V222 HydrophobicContact CG1-CG2 4.19Å; V173-V222 HydrophobicContact CG2-CB 4.42Å; V173-V222 HydrophobicContact CG2-CG2 4.04Å; V173-V248 HydrophobicContact CG1-CG1 4.22Å; V173-E249 WeakPolarHBondContact CG1-O 3.29Å; V173-E249 PolarHBondContact N-O 2.89Å; V173-V250 HydrophobicContact CG1-CG2 4.12Å; V173-V250 CarbonylContact O-C 3.5Å; V173-V250 WeakPolarHBondContact O-CA 3.22Å; V173-N251 PolarHBondContact O-N 2.77Å
174T96.4Very high94.3Very high42 Ų4261.6 Ų61.626%0.25836%0.362SS..EExtended strand (participates in β ladder)trans-95.6143.8176.3-43.20000110G176 D177 N251 Y354T174-G176 PolarHBondContact O-N 3.34Å; T174-D177 VanDerWaalsContact CB-OD2 3.31Å; T174-D177 WeakPolarHBondContact CB-OD2 3.46Å; T174-D177 VanDerWaalsContact O-CB 3.3Å; T174-D177 WeakPolarHBondContact O-CB 3.31Å; T174-D177 PolarHBondContact O-N 3.25Å; T174-D177 PolarHBondContact OG1-OD2 2.85Å; T174-N251 CarbonylContact C-O 3.57Å; T174-N251 WeakPolarHBondContact CA-O 3.42Å; T174-N251 HydrophobicContact CG2-CB 4.45Å; T174-Y354 HydrophobicContact CG2-CD1 4.04Å; T174-Y354 HydrophobicContact CG2-CE1 3.99Å
175E94.5Very high94.2Very high62 Ų6261.5 Ų61.529%0.2937%0.365SS..THydrogen-bonded Turntrans-53.3130.3172.5-178.9174.2-108.900110.1R224 V250 N251 Y252E175-R224 WeakPolarHBondContact OE1-CB 3.37Å; E175-R224 IonicContact OE1-CZ 3.51Å; E175-R224 PolarHBondContact OE1-N 3.5Å; E175-R224 IonicContact OE1-NE 2.68Å; E175-R224 PolarHBondContact OE1-NE 2.95Å; E175-R224 IonicContact OE1-NH2 3.1Å; E175-R224 PolarHBondContact OE1-NH2 2.89Å; E175-R224 IonicContact OE2-CZ 2.85Å; E175-R224 IonicContact OE2-NE 2.85Å; E175-R224 IonicContact OE2-NH2 2.74Å; E175-R224 PolarHBondContact OE2-NH2 2.96Å; E175-V250 HydrophobicContact CB-CG1 4.2Å; E175-N251 PolarHBondContact N-O 3.06Å; E175-Y252 WeakPolarHBondContact OE2-CB 3.25Å
176G93.5Very high94.1Very high41 Ų4163.4 Ų63.442%0.42337%0.372SS..THydrogen-bonded Turntrans97.6-24.1-17300000115.2T174 V222T174-G176 PolarHBondContact O-N 3.34Å; G176-V222 PolarHBondContact N-O 2.87Å
177D95.4Very high94.1Very high84 Ų8458.1 Ų58.145%0.44934%0.341SS..SBendtrans-77.5170.6178.8-68.3-23.4000112V173 T174 R221 V222V173-D177 HydrophobicContact CG2-CB 3.7Å; T174-D177 VanDerWaalsContact CB-OD2 3.31Å; T174-D177 WeakPolarHBondContact CB-OD2 3.46Å; T174-D177 VanDerWaalsContact O-CB 3.3Å; T174-D177 WeakPolarHBondContact O-CB 3.31Å; T174-D177 PolarHBondContact O-N 3.25Å; T174-D177 PolarHBondContact OG1-OD2 2.85Å; D177-R221 CarbonylContact O-C 3.58Å; D177-R221 WeakPolarHBondContact O-CA 3.45Å; D177-V222 WeakPolarHBondContact O-CB 3.45Å; D177-V222 WeakPolarHBondContact O-CG2 3.33Å; D177-V222 PolarHBondContact O-N 2.85Å
178S93.8Very high94.1Very high75 Ų7556 Ų5652%0.52432%0.316SS..  trans-94.9143.2173.974.20000112.3I219 P220S178-I219 CarbonylContact C-O 3.6Å; S178-I219 VanDerWaalsContact CA-O 3.32Å; S178-I219 WeakPolarHBondContact CA-O 3.42Å; S178-P220 WeakPolarHBondContact CB-O 3.43Å
179L93.3Very high94Very high11 Ų1156.9 Ų56.96%0.05832%0.322CS..EExtended strand (participates in β ladder)trans-119.6136.7175.6175.768.8000110.5K171 L181 H218 I219 V222 V248K171-L179 HydrophobicContact CB-CD1 3.83Å; K171-L179 HydrophobicContact CG-CD1 4.02Å; L179-L181 HydrophobicContact CD1-CD2 4.08Å; L179-L181 HydrophobicContact CD1-CG 4.43Å; L179-L181 HydrophobicContact CD2-CG 4.4Å; L179-L181 HydrophobicContact CG-CD2 4.5Å; L179-L181 HydrophobicContact CG-CG 4.31Å; L179-H218 WeakPolarHBondContact O-CA 3.32Å; L179-H218 PolarHBondContact O-ND1 3.03Å; L179-I219 HydrophobicContact CB-CB 4.28Å; L179-I219 HydrophobicContact CD2-CD1 4.08Å; L179-I219 PolarHBondContact N-O 3.44Å; L179-I219 PolarHBondContact O-N 2.86Å; L179-V222 HydrophobicContact CB-CG2 3.54Å; L179-V248 HydrophobicContact CD2-CB 4.37Å; L179-V248 HydrophobicContact CD2-CG1 3.56Å; L179-V248 HydrophobicContact CD2-CG2 3.84Å
180T93.3Very high93.9Very high68 Ų6858.5 Ų58.542%0.41733%0.334SS..EExtended strand (participates in β ladder)trans-132120.9173.6-58.30000109.7V182 T216 L217 H218T180-V182 HydrophobicContact CG2-CG2 4.15Å; T180-T216 HydrophobicContact CG2-CG2 3.53Å; T180-L217 WeakPolarHBondContact CA-O 3.24Å; T180-H218 PolarHBondContact OG1-ND1 2.96Å
181L94.6Very high93.7Very high3 Ų355.9 Ų55.92%0.01632%0.315CS..EExtended strand (participates in β ladder)trans-112.5129.1173.2-58.6178.8000109L168 K171 L179 W195 T216 L217 Y230 V246 V248L168-L181 HydrophobicContact CD1-CB 4.25Å; L168-L181 HydrophobicContact CD1-CD2 4.38Å; K171-L181 HydrophobicContact CG-CD2 3.78Å; L179-L181 HydrophobicContact CD1-CD2 4.08Å; L179-L181 HydrophobicContact CD1-CG 4.43Å; L179-L181 HydrophobicContact CD2-CG 4.4Å; L179-L181 HydrophobicContact CG-CD2 4.5Å; L179-L181 HydrophobicContact CG-CG 4.31Å; L181-W195 HydrophobicContact CB-CH2 3.7Å; L181-W195 HydrophobicContact CB-CZ2 3.89Å; L181-W195 HydrophobicContact CB-CZ3 4.42Å; L181-W195 HydrophobicContact CD1-CH2 4.26Å; L181-W195 HydrophobicContact CD1-CZ3 4.21Å; L181-T216 CarbonylContact O-C 3.54Å; L181-T216 VanDerWaalsContact O-CA 3.32Å; L181-T216 WeakPolarHBondContact O-CA 3.17Å; L181-L217 HydrophobicContact CB-CB 4.38Å; L181-L217 HydrophobicContact CD1-CD2 4.35Å; L181-L217 PolarHBondContact N-O 3.02Å; L181-L217 PolarHBondContact O-N 3.47Å; L181-Y230 HydrophobicContact CD1-CG 4.34Å; L181-V246 HydrophobicContact CD1-CG1 3.98Å; L181-V248 HydrophobicContact CD1-CG2 3.92Å
182V93.7Very high93.6Very high54 Ų5458 Ų5833%0.32733%0.328SS..EExtended strand (participates in β ladder)trans-118.7117.2-179.5-177.10000108.3T180 R184 T216T180-V182 HydrophobicContact CG2-CG2 4.15Å; V182-R184 HydrophobicContact CG1-CG 4.18Å; V182-T216 HydrophobicContact CG2-CG2 4.08Å
183C94.1Very high93.4Very high0 Ų053.4 Ų53.40%030%0.304CS..  trans-105.7128.4173.6-175.20000109.3L168 I193 W195 S215 C232L168-C183 HydrophobicContact CD2-CB 4.24Å; C183-I193 HydrophobicContact CB-CG2 4.13Å; C183-I193 WeakPolarHBondContact O-CD1 3.49Å; C183-W195 HydrophobicContact CB-CH2 4.01Å; C183-W195 HydrophobicContact CB-CZ2 3.44Å; C183-W195 VanDerWaalsContact CB-CZ2 3.44Å; C183-S215 PolarHBondContact N-O 3.44Å; C183-S215 WeakPolarHBondContact O-CB 3.2Å; C183-C232 HydrophobicContact CB-CB 3.68Å; C183-C232 WeakPolarHBondContact CB-SG 3.35Å; C183-C232 WeakPolarHBondContact SG-CB 2.96Å; C183-C232 CovalentContact SG-SG 2.02Å; C183-C232 PolarHBondContact SG-SG 2.8Å
184R94.5Very high93.1Very high171 Ų17155.3 Ų55.365%0.64532%0.319SS*.  trans-117.7138.8176.8-63.5-179.5179.6161.1-0.7108.2L165 V182L165-R184 HydrophobicContact CB-CB 4.24Å; L165-R184 HydrophobicContact CD1-CB 4.06Å; L165-R184 PolarHBondContact N-O 2.86Å; V182-R184 HydrophobicContact CG1-CG 4.18Å
185A94Very high92.9Very high23 Ų2353.8 Ų53.819%0.1931%0.308CS..EExtended strand (participates in β ladder)trans-136.7148.3178.200000110.2E163 I164 P191 I193 A234E163-A185 CarbonylContact O-C 3.58Å; E163-A185 WeakPolarHBondContact O-CA 3.41Å; E163-A185 WeakPolarHBondContact O-CB 3.34Å; I164-A185 HydrophobicContact CG1-CB 4.32Å; A185-P191 HydrophobicContact CB-CB 4.45Å; A185-P191 HydrophobicContact CB-CG 3.75Å; A185-I193 HydrophobicContact CB-CD1 4.02Å; A185-I193 HydrophobicContact CB-CG1 4.26Å; A185-A234 HydrophobicContact CB-CB 3.53Å
186Q93.5Very high92.7Very high98 Ų9853.2 Ų53.246%0.45831%0.309SS..EExtended strand (participates in β ladder)trans-110.9156.5171.665.9178.718.400110.1P162 E163 L165P162-Q186 CarbonylContact C-O 3.56Å; P162-Q186 VanDerWaalsContact CA-O 3.3Å; P162-Q186 WeakPolarHBondContact CA-O 3.08Å; E163-Q186 HydrophobicContact CB-CG 3.98Å; E163-Q186 PolarHBondContact N-O 2.83Å; E163-Q186 PolarHBondContact O-N 3.38Å; E163-Q186 PolarHBondContact OE2-NE2 3.05Å; L165-Q186 HydrophobicContact CD2-CB 4.36Å; L165-Q186 HydrophobicContact CD2-CG 3.94Å
187G92Very high92.5Very high19 Ų1951.5 Ų51.520%0.19629%0.29CS..EExtended strand (participates in β ladder)trans166.2164.5-177.500000110.5P189G187-P189 CarbonylContact C-O 3.59Å; G187-P189 VanDerWaalsContact C-O 3.23Å; G187-P189 CarbonylContact O-C 3.55Å
188S91.5Very high92.1Very high21 Ų2149.3 Ų49.315%0.14728%0.283CS..EExtended strand (participates in β ladder)trans-138.7116.2178.4176.60000109.7I157 V158 K159 R160 V238I157-S188 VanDerWaalsContact CG2-OG 3.23Å; I157-S188 WeakPolarHBondContact CG2-OG 3.46Å; V158-S188 WeakPolarHBondContact O-CB 3.47Å; V158-S188 PolarHBondContact O-OG 3.41Å; K159-S188 CarbonylContact C-O 3.59Å; K159-S188 VanDerWaalsContact CA-O 3.26Å; K159-S188 WeakPolarHBondContact CA-O 3.47Å; R160-S188 PolarHBondContact N-O 2.88Å; R160-S188 PolarHBondContact O-N 3.25Å; R160-S188 VanDerWaalsContact O-N 3.11Å; R160-S188 VanDerWaalsContact O-O 3.11Å; S188-V238 WeakPolarHBondContact O-CG2 3.07Å
189P89.9Confident91.6Very high27 Ų2749 Ų4918%0.17528%0.276CS..SBendcis-58.7165.9-4.6-23.536.1000113.7V39 G187 N236 N237V39-P189 HydrophobicContact CG1-CG 4.46Å; G187-P189 CarbonylContact C-O 3.59Å; G187-P189 VanDerWaalsContact C-O 3.23Å; G187-P189 CarbonylContact O-C 3.55Å; P189-N236 WeakPolarHBondContact O-CB 3.29Å; P189-N236 PolarHBondContact O-ND2 2.86Å; P189-N237 WeakPolarHBondContact CD-OD1 3.17Å; P189-N237 VanDerWaalsContact CG-OD1 3.3Å; P189-N237 WeakPolarHBondContact CG-OD1 3.44Å
190P90.7Very high91.2Very high112 Ų11251.9 Ų51.973%0.72731%0.308SS*.PPolyproline II helixtrans-51.6130.4-180-27.134.9000111.9
191P92.7Very high90.5Very high24 Ų2451.8 Ų51.816%0.15630%0.3CS..PPolyproline II helixtrans-73.4142-179.829.6-33.9000111.6P162 A185 A234 V235P162-P191 HydrophobicContact CB-CB 4.01Å; P162-P191 HydrophobicContact CG-CB 4.22Å; A185-P191 HydrophobicContact CB-CB 4.45Å; A185-P191 HydrophobicContact CB-CG 3.75Å; P191-A234 HydrophobicContact CB-CB 4.29Å; P191-V235 CarbonylContact C-O 3.55Å; P191-V235 VanDerWaalsContact CA-O 3.29Å; P191-V235 WeakPolarHBondContact CA-O 3.44Å
192M91.5Very high89.8Confident138 Ų13855.6 Ų55.668%0.6833%0.325SS*.EExtended strand (participates in β ladder)trans-81.3133.6164.6-67.9-174.3-67.600109A234 V235M192-A234 WeakPolarHBondContact O-CA 3.32Å; M192-V235 HydrophobicContact CB-CG2 4.32Å; M192-V235 PolarHBondContact N-O 3.06Å; M192-V235 PolarHBondContact O-N 2.88Å
193I91.9Very high89Confident36 Ų3654 Ų5419%0.18531%0.314CS..EExtended strand (participates in β ladder)trans-104.1134.2179.5-61177.4000108.9C183 A185 Y233C183-I193 HydrophobicContact CB-CG2 4.13Å; C183-I193 WeakPolarHBondContact O-CD1 3.49Å; A185-I193 HydrophobicContact CB-CD1 4.02Å; A185-I193 HydrophobicContact CB-CG1 4.26Å; I193-Y233 CarbonylContact C-O 3.54Å; I193-Y233 VanDerWaalsContact CA-O 3.26Å; I193-Y233 WeakPolarHBondContact CA-O 3.4Å
194S90.6Very high87.7Confident53 Ų5357 Ų5737%0.37134%0.335SS..EExtended strand (participates in β ladder)trans-134.7159.8172.660.70000110.4Y233S194-Y233 PolarHBondContact N-O 2.02Å; S194-Y233 PolarHBondContact O-N 2.84Å; S194-Y233 WeakPolarHBondContact OG-CB 3.43Å
195W91.4Very high85.9Confident9 Ų951.3 Ų51.33%0.03432%0.317CS..EExtended strand (participates in β ladder)trans-119.3146179.3-7494.5000109.4L168 L181 C183 L203 S215 L217 R231 C232 V246L168-W195 HydrophobicContact CD1-CH2 3.78Å; L168-W195 HydrophobicContact CD2-CH2 3.5Å; L168-W195 HydrophobicContact CD2-CZ2 4.42Å; L168-W195 HydrophobicContact CD2-CZ3 4.07Å; L168-W195 HydrophobicContact CG-CH2 4.3Å; L181-W195 HydrophobicContact CB-CH2 3.7Å; L181-W195 HydrophobicContact CB-CZ2 3.89Å; L181-W195 HydrophobicContact CB-CZ3 4.42Å; L181-W195 HydrophobicContact CD1-CH2 4.26Å; L181-W195 HydrophobicContact CD1-CZ3 4.21Å; C183-W195 HydrophobicContact CB-CH2 4.01Å; C183-W195 HydrophobicContact CB-CZ2 3.44Å; C183-W195 VanDerWaalsContact CB-CZ2 3.44Å; W195-L203 HydrophobicContact CB-CD1 3.69Å; W195-L203 HydrophobicContact CB-CD2 4.47Å; W195-L203 WeakPolarHBondContact O-CD1 3.45Å; W195-S215 PolarHBondContact NE1-O 2.73Å; W195-L217 HydrophobicContact CB-CD2 4.49Å; W195-L217 HydrophobicContact CD2-CB 4Å; W195-L217 HydrophobicContact CD2-CD2 4.29Å; W195-L217 HydrophobicContact CE3-CD2 4.33Å; W195-L217 HydrophobicContact CG-CB 4Å; W195-L217 HydrophobicContact CG-CD2 4.39Å; W195-L217 HydrophobicContact CZ2-CB 4.46Å; W195-R231 WeakPolarHBondContact CA-O 3Å; W195-C232 HydrophobicContact CD2-CB 4.41Å; W195-C232 HydrophobicContact CE3-CB 4.11Å; W195-C232 HydrophobicContact CH2-CB 4.02Å; W195-C232 HydrophobicContact CZ2-CB 4.32Å; W195-C232 HydrophobicContact CZ3-CB 3.89Å; W195-V246 HydrophobicContact CH2-CG1 4.44Å; W195-V246 HydrophobicContact CZ3-CG1 4.03Å
196T90.1Very high83.8Confident51 Ų5156.7 Ų56.731%0.31335%0.35SS..EExtended strand (participates in β ladder)trans-142.7165.3168.666.30000109.8R231 Y233T196-R231 PolarHBondContact N-O 3.09Å; T196-R231 PolarHBondContact O-N 2.81Å; T196-Y233 HydrophobicContact CG2-CD2 4.11Å; T196-Y233 HydrophobicContact CG2-CE2 4.19Å; T196-Y233 WeakPolarHBondContact OG1-CE2 3.3Å
197R89.5Confident81.8Confident5 Ų556 Ų562%0.01937%0.369CS..EExtended strand (participates in β ladder)trans-85.1137.7162.6-64.2-168.4175.4-154.39.3108.8N199 G200 R201 L203 Y225 D226 Y230R197-N199 WeakPolarHBondContact CB-OD1 3.16Å; R197-N199 PolarHBondContact O-N 3.26Å; R197-G200 PolarHBondContact O-N 2.84Å; R197-R201 HydrophobicContact CB-CB 4.46Å; R197-L203 HydrophobicContact CG-CD2 4.06Å; R197-Y225 PolarHBondContact NH1-O 2.92Å; R197-Y225 PolarHBondContact NH2-O 2.81Å; R197-D226 IonicContact NH2-OD1 2.81Å; R197-D226 PolarHBondContact NH2-OD1 3.42Å; R197-Y230 HydrophobicContact CG-CD1 4.41Å; R197-Y230 HydrophobicContact CG-CE1 4.22Å; R197-Y230 PolarHBondContact NH2-OH 3.06Å
198A87.5Confident79.9Confident38 Ų3856.2 Ų56.231%0.31437%0.368SS..THydrogen-bonded Turntrans-63.7-24-178.900000112.8G200 I229A198-G200 VanDerWaalsContact C-N 3.28Å; A198-G200 PolarHBondContact O-N 2.88Å; A198-I229 HydrophobicContact CB-CB 3.86Å; A198-I229 HydrophobicContact CB-CG2 3.69Å; A198-I229 PolarHBondContact N-O 3Å
199N84.4Confident78.1Confident69 Ų6959.2 Ų59.237%0.36939%0.387SS..THydrogen-bonded Turntrans-84.15.7175.467.64.5000114.1R197 R201 G323R197-N199 WeakPolarHBondContact CB-OD1 3.16Å; R197-N199 PolarHBondContact O-N 3.26Å; N199-R201 VanDerWaalsContact C-N 3.28Å; N199-R201 PolarHBondContact O-N 3.05Å; N199-R201 WeakPolarHBondContact OD1-CB 3.21Å; N199-R201 PolarHBondContact OD1-N 2.78Å; N199-R201 VanDerWaalsContact OD1-N 3.1Å; N199-G323 PolarHBondContact ND2-O 2.77Å
200G83.6Confident76.8Confident70 Ų7058.9 Ų58.972%0.72238%0.383SS*.SBendtrans781.617800000115.5R197 A198R197-G200 PolarHBondContact O-N 2.84Å; A198-G200 VanDerWaalsContact C-N 3.28Å; A198-G200 PolarHBondContact O-N 2.88Å
201R79.5Confident75.6Confident67 Ų6759.9 Ų59.925%0.25337%0.372SS..  trans-68.8151175.1-76.9-170.8170.1-168.64.1111.8R197 N199 A322 G323R197-R201 HydrophobicContact CB-CB 4.46Å; N199-R201 VanDerWaalsContact C-N 3.28Å; N199-R201 PolarHBondContact O-N 3.05Å; N199-R201 WeakPolarHBondContact OD1-CB 3.21Å; N199-R201 PolarHBondContact OD1-N 2.78Å; N199-R201 VanDerWaalsContact OD1-N 3.1Å; R201-A322 PolarHBondContact NH2-O 3.36Å; R201-G323 WeakPolarHBondContact CD-O 3.31Å; R201-G323 VanDerWaalsContact NE-C 3.28Å; R201-G323 PolarHBondContact NE-O 2.85Å; R201-G323 PolarHBondContact NH1-O 3.17Å
202P79Confident74.2Confident83 Ų8362.9 Ų62.954%0.53939%0.386SS..  trans-59.3145171.327.2-34.4000109.8
203L77.9Confident73.1Confident21 Ų2162.6 Ų62.611%0.1138%0.378CS..SBendtrans-61-52.9174.3-79.1176.5000110.3W195 R197 Q210 I212 L217 Y230W195-L203 HydrophobicContact CB-CD1 3.69Å; W195-L203 HydrophobicContact CB-CD2 4.47Å; W195-L203 WeakPolarHBondContact O-CD1 3.45Å; R197-L203 HydrophobicContact CG-CD2 4.06Å; L203-Q210 PolarHBondContact O-NE2 2.93Å; L203-Q210 PolarHBondContact O-OE1 3.1Å; L203-I212 HydrophobicContact CD1-CD1 3.48Å; L203-I212 VanDerWaalsContact CD1-CD1 3.48Å; L203-I212 HydrophobicContact CD1-CG1 4.35Å; L203-L217 HydrophobicContact CD2-CD2 4.18Å; L203-Y230 HydrophobicContact CD2-CD1 3.8Å; L203-Y230 HydrophobicContact CD2-CE1 3.79Å
204S66.7Low72.3Confident61 Ų6167.7 Ų67.743%0.42741%0.406SS..PPolyproline II helixtrans-83.9121.4175.6-58.30000111.7
205L55.3Low72Confident53 Ų5366.9 Ų66.928%0.27740%0.4SS..PPolyproline II helixtrans-83.2148.4156.9-64.2171.9000108.6G207 S208L205-G207 PolarHBondContact O-N 3.46Å; L205-G207 VanDerWaalsContact O-N 3.11Å; L205-S208 PolarHBondContact O-N 2.79Å; L205-S208 VanDerWaalsContact O-N 3.09Å
206P50Low72Confident135 Ų13568 Ų6888%0.87741%0.408SS*.THydrogen-bonded Turntrans-52.2121175.6-22.331.7000110.5
207G51.3Low72.1Confident83 Ų8365.6 Ų65.686%0.85639%0.393SS*.THydrogen-bonded Turntrans100.6-9.9-179.900000116.4L205 P209L205-G207 PolarHBondContact O-N 3.46Å; L205-G207 VanDerWaalsContact O-N 3.11Å; G207-P209 WeakPolarHBondContact O-CD 3.21Å
208S53.9Low72.2Confident25 Ų2567.7 Ų67.718%0.17540%0.403CS..  trans-105.7102.9171.1-173.30000109.8L205 Q210L205-S208 PolarHBondContact O-N 2.79Å; L205-S208 VanDerWaalsContact O-N 3.09Å; S208-Q210 PolarHBondContact O-N 2.67Å
209P53.8Low72.3Confident84 Ų8465.9 Ų65.955%0.54539%0.388SS..  trans-7574.5178.731.5-33.9000109.4G207 R211 P220G207-P209 WeakPolarHBondContact O-CD 3.21Å; P209-R211 PolarHBondContact O-N 3.18Å; P209-P220 WeakPolarHBondContact O-CD 3.34Å
210Q60.8Low72.6Confident19 Ų1965.1 Ų65.19%0.08939%0.387CS..  trans-64.9132.1167.6-63-170.9-5.100108.6L203 S208 L217 H218 I219 D226L203-Q210 PolarHBondContact O-NE2 2.93Å; L203-Q210 PolarHBondContact O-OE1 3.1Å; S208-Q210 PolarHBondContact O-N 2.67Å; Q210-L217 HydrophobicContact CB-CD1 4.42Å; Q210-H218 WeakPolarHBondContact CA-O 3.32Å; Q210-I219 HydrophobicContact CG-CG1 4.06Å; Q210-I219 HydrophobicContact CG-CG2 4.48Å; Q210-D226 PolarHBondContact NE2-OD1 3.23Å
211R65.7Low72.9Confident133 Ų13370.9 Ų70.950%0.50239%0.387SS..EExtended strand (participates in β ladder)trans-112.6115.3179.6-55.1-167.7-175.7175.4-2108.5P209 Y213 H218P209-R211 PolarHBondContact O-N 3.18Å; R211-Y213 HydrophobicContact CB-CD2 3.88Å; R211-Y213 HydrophobicContact CB-CE2 3.35Å; R211-Y213 WeakPolarHBondContact CD-OH 3.35Å; R211-Y213 HydrophobicContact CG-CE2 4.18Å; R211-Y213 PolarHBondContact NH1-OH 2.85Å; R211-H218 PolarHBondContact N-O 2.79Å; R211-H218 PolarHBondContact O-N 2.88Å
212I64.4Low73.5Confident87 Ų8767.7 Ų67.745%0.44638%0.375SS..EExtended strand (participates in β ladder)trans-93.2111.2171.1-54.8172.9000106.6L203 T216 L217L203-I212 HydrophobicContact CD1-CD1 3.48Å; L203-I212 VanDerWaalsContact CD1-CD1 3.48Å; L203-I212 HydrophobicContact CD1-CG1 4.35Å; I212-T216 WeakPolarHBondContact CA-O 3.3Å; I212-L217 HydrophobicContact CG1-CD1 4.12Å
213Y68.9Low74.1Confident132 Ų13266.9 Ų66.952%0.51837%0.366SS..EExtended strand (participates in β ladder)trans-112.996.5173.2-65.3-75.4000108.6R211 S215 T216R211-Y213 HydrophobicContact CB-CD2 3.88Å; R211-Y213 HydrophobicContact CB-CE2 3.35Å; R211-Y213 WeakPolarHBondContact CD-OH 3.35Å; R211-Y213 HydrophobicContact CG-CE2 4.18Å; R211-Y213 PolarHBondContact NH1-OH 2.85Å; Y213-S215 PolarHBondContact O-N 2.88Å; Y213-T216 PolarHBondContact N-O 3.33Å; Y213-T216 PolarHBondContact O-N 3.29Å
214N73.1Confident74.7Confident143 Ų14367.4 Ų67.477%0.76537%0.367SS*.THydrogen-bonded Turntrans52.5-99.8-179.7-59.6-19.8000112
215S85.9Confident75.7Confident37 Ų3769.3 Ų69.326%0.25937%0.365SS..THydrogen-bonded Turntrans-82.9-13.4179.742.60000115.3C183 W195 Y213C183-S215 PolarHBondContact N-O 3.44Å; C183-S215 WeakPolarHBondContact O-CB 3.2Å; W195-S215 PolarHBondContact NE1-O 2.73Å; Y213-S215 PolarHBondContact O-N 2.88Å
216T90.6Very high77.3Confident32 Ų3267 Ų6720%0.19635%0.353CS..EExtended strand (participates in β ladder)trans-112.8123.3-164.8-54.40000111.5T180 L181 V182 I212 Y213T180-T216 HydrophobicContact CG2-CG2 3.53Å; L181-T216 CarbonylContact O-C 3.54Å; L181-T216 VanDerWaalsContact O-CA 3.32Å; L181-T216 WeakPolarHBondContact O-CA 3.17Å; V182-T216 HydrophobicContact CG2-CG2 4.08Å; I212-T216 WeakPolarHBondContact CA-O 3.3Å; Y213-T216 PolarHBondContact N-O 3.33Å; Y213-T216 PolarHBondContact O-N 3.29Å
217L91.3Very high79.2Confident1 Ų162 Ų621%0.00532%0.317CS..EExtended strand (participates in β ladder)trans-96.8118.1167.1174.862.4000108.6T180 L181 W195 L203 Q210 I212 Y230T180-L217 WeakPolarHBondContact CA-O 3.24Å; L181-L217 HydrophobicContact CB-CB 4.38Å; L181-L217 HydrophobicContact CD1-CD2 4.35Å; L181-L217 PolarHBondContact N-O 3.02Å; L181-L217 PolarHBondContact O-N 3.47Å; W195-L217 HydrophobicContact CB-CD2 4.49Å; W195-L217 HydrophobicContact CD2-CB 4Å; W195-L217 HydrophobicContact CD2-CD2 4.29Å; W195-L217 HydrophobicContact CE3-CD2 4.33Å; W195-L217 HydrophobicContact CG-CB 4Å; W195-L217 HydrophobicContact CG-CD2 4.39Å; W195-L217 HydrophobicContact CZ2-CB 4.46Å; L203-L217 HydrophobicContact CD2-CD2 4.18Å; Q210-L217 HydrophobicContact CB-CD1 4.42Å; I212-L217 HydrophobicContact CG1-CD1 4.12Å; L217-Y230 HydrophobicContact CD2-CD1 3.47Å; L217-Y230 VanDerWaalsContact CD2-CD1 3.47Å; L217-Y230 HydrophobicContact CD2-CE1 3.67Å; L217-Y230 HydrophobicContact CD2-CG 4.43Å
218H91.6Very high81Confident49 Ų4958.2 Ų58.223%0.22728%0.277CS..EExtended strand (participates in β ladder)trans-118.5127.2177.2-177.763.5000111.4L179 T180 Q210 R211L179-H218 WeakPolarHBondContact O-CA 3.32Å; L179-H218 PolarHBondContact O-ND1 3.03Å; T180-H218 PolarHBondContact OG1-ND1 2.96Å; Q210-H218 WeakPolarHBondContact CA-O 3.32Å; R211-H218 PolarHBondContact N-O 2.79Å; R211-H218 PolarHBondContact O-N 2.88Å
219I90.6Very high82.9Confident0 Ų060.1 Ų60.10%029%0.285CS..EExtended strand (participates in β ladder)trans-112.9106.7173-48.5-174.1000106.9S178 L179 Q210 R221 V222 D226S178-I219 CarbonylContact C-O 3.6Å; S178-I219 VanDerWaalsContact CA-O 3.32Å; S178-I219 WeakPolarHBondContact CA-O 3.42Å; L179-I219 HydrophobicContact CB-CB 4.28Å; L179-I219 HydrophobicContact CD2-CD1 4.08Å; L179-I219 PolarHBondContact N-O 3.44Å; L179-I219 PolarHBondContact O-N 2.86Å; Q210-I219 HydrophobicContact CG-CG1 4.06Å; Q210-I219 HydrophobicContact CG-CG2 4.48Å; I219-R221 VanDerWaalsContact C-N 3.33Å; I219-R221 PolarHBondContact O-N 3.44Å; I219-V222 HydrophobicContact CB-CG2 4.24Å; I219-V222 HydrophobicContact CG2-CG2 4.08Å; I219-D226 HydrophobicContact CD1-CB 4.26Å
220P90.3Very high84.7Confident52 Ų5256.1 Ų56.134%0.33826%0.259SS..SBendtrans-65.8-34.1-175-23.733.4000114S178 P209S178-P220 WeakPolarHBondContact CB-O 3.43Å; P209-P220 WeakPolarHBondContact O-CD 3.34Å
221R91.4Very high86.3Confident191 Ų19157.8 Ų57.872%0.72126%0.264SS*.SBendtrans-137.7109.5176.2-176.8-178.8-70-157-1.5108.2D177 I219D177-R221 CarbonylContact O-C 3.58Å; D177-R221 WeakPolarHBondContact O-CA 3.45Å; I219-R221 VanDerWaalsContact C-N 3.33Å; I219-R221 PolarHBondContact O-N 3.44Å
222V91.9Very high87.6Confident1 Ų151.4 Ų51.41%0.00624%0.24CC..  trans-74.8136.4179.3173.90000109.9V173 G176 D177 L179 I219 D226 V250V173-V222 HydrophobicContact CG1-CB 4.47Å; V173-V222 HydrophobicContact CG1-CG1 3.89Å; V173-V222 HydrophobicContact CG1-CG2 4.19Å; V173-V222 HydrophobicContact CG2-CB 4.42Å; V173-V222 HydrophobicContact CG2-CG2 4.04Å; G176-V222 PolarHBondContact N-O 2.87Å; D177-V222 WeakPolarHBondContact O-CB 3.45Å; D177-V222 WeakPolarHBondContact O-CG2 3.33Å; D177-V222 PolarHBondContact O-N 2.85Å; L179-V222 HydrophobicContact CB-CG2 3.54Å; I219-V222 HydrophobicContact CB-CG2 4.24Å; I219-V222 HydrophobicContact CG2-CG2 4.08Å; V222-D226 HydrophobicContact CG1-CB 4.18Å; V222-V250 HydrophobicContact CG1-CB 4.27Å; V222-V250 HydrophobicContact CG1-CG1 3.67Å; V222-V250 HydrophobicContact CG1-CG2 3.54Å
223D90.6Very high88.9Confident66 Ų6650 Ų5035%0.35323%0.23SC..  trans-112.5157.7172.5-170.14000110.2Y225 D226D223-Y225 PolarHBondContact O-N 3.5Å; D223-Y225 WeakPolarHBondContact OD2-CD2 3.45Å; D223-D226 PolarHBondContact N-OD2 2.86Å; D223-D226 VanDerWaalsContact O-CB 3.29Å; D223-D226 WeakPolarHBondContact O-CB 3.48Å; D223-D226 PolarHBondContact O-N 2.98Å
224R89.8Confident90.1Very high31 Ų3143.7 Ų43.712%0.11721%0.205CC..G310 helixtrans-55-28.1176.865.3-171.865.8-159-4.4113.6E175 D226 R227 Y252 N282 V326E175-R224 WeakPolarHBondContact OE1-CB 3.37Å; E175-R224 IonicContact OE1-CZ 3.51Å; E175-R224 PolarHBondContact OE1-N 3.5Å; E175-R224 IonicContact OE1-NE 2.68Å; E175-R224 PolarHBondContact OE1-NE 2.95Å; E175-R224 IonicContact OE1-NH2 3.1Å; E175-R224 PolarHBondContact OE1-NH2 2.89Å; E175-R224 IonicContact OE2-CZ 2.85Å; E175-R224 IonicContact OE2-NE 2.85Å; E175-R224 IonicContact OE2-NH2 2.74Å; E175-R224 PolarHBondContact OE2-NH2 2.96Å; R224-D226 VanDerWaalsContact C-N 3.25Å; R224-D226 PolarHBondContact O-N 2.82Å; R224-R227 VanDerWaalsContact O-CB 3.25Å; R224-R227 WeakPolarHBondContact O-CB 3.41Å; R224-R227 PolarHBondContact O-N 2.93Å; R224-Y252 HydrophobicContact CB-CD1 3.69Å; R224-Y252 HydrophobicContact CB-CD2 4.28Å; R224-Y252 HydrophobicContact CB-CE1 3.66Å; R224-Y252 HydrophobicContact CB-CE2 4.2Å; R224-Y252 HydrophobicContact CB-CG 4.02Å; R224-Y252 VanDerWaalsContact NH1-CD2 3.32Å; R224-N282 WeakPolarHBondContact CD-OD1 3.12Å; R224-N282 PolarHBondContact NH1-OD1 3.11Å; R224-V326 HydrophobicContact CG-CG2 4.38Å; R224-V326 WeakPolarHBondContact O-CG2 3.48Å
225Y87.6Confident91.1Very high102 Ų10239.5 Ų39.540%0.419%0.185SC..G310 helixtrans-75.9-8.9176.4-55.4-68.9000113.9R197 D223 R227 T324 V326R197-Y225 PolarHBondContact NH1-O 2.92Å; R197-Y225 PolarHBondContact NH2-O 2.81Å; D223-Y225 PolarHBondContact O-N 3.5Å; D223-Y225 WeakPolarHBondContact OD2-CD2 3.45Å; Y225-R227 VanDerWaalsContact C-N 3.28Å; Y225-T324 HydrophobicContact CD1-CG2 3.89Å; Y225-T324 HydrophobicContact CE1-CG2 4.44Å; Y225-V326 HydrophobicContact CD1-CG2 3.71Å; Y225-V326 HydrophobicContact CE1-CG2 4.09Å
226D89Confident91.3Very high4 Ų439 Ų392%0.02118%0.179CC..G310 helixtrans-79.8-9.5169.2-66.2-43000112.9R197 Q210 I219 V222 D223 R224 G228 Y230R197-D226 IonicContact NH2-OD1 2.81Å; R197-D226 PolarHBondContact NH2-OD1 3.42Å; Q210-D226 PolarHBondContact NE2-OD1 3.23Å; I219-D226 HydrophobicContact CD1-CB 4.26Å; V222-D226 HydrophobicContact CG1-CB 4.18Å; D223-D226 PolarHBondContact N-OD2 2.86Å; D223-D226 VanDerWaalsContact O-CB 3.29Å; D223-D226 WeakPolarHBondContact O-CB 3.48Å; D223-D226 PolarHBondContact O-N 2.98Å; R224-D226 VanDerWaalsContact C-N 3.25Å; R224-D226 PolarHBondContact O-N 2.82Å; D226-G228 PolarHBondContact O-N 2.86Å; D226-Y230 VanDerWaalsContact O-CE2 3.3Å; D226-Y230 WeakPolarHBondContact O-CE2 3.18Å; D226-Y230 PolarHBondContact O-OH 2.96Å; D226-Y230 VanDerWaalsContact O-OH 3.05Å
227R90Very high91Very high31 Ų3142.7 Ų42.712%0.11720%0.198CC..  trans-58.2125.8171-171.6-176.5-177.9-146.54.2110.3R224 Y225 V248 E249 V250 N325R224-R227 VanDerWaalsContact O-CB 3.25Å; R224-R227 WeakPolarHBondContact O-CB 3.41Å; R224-R227 PolarHBondContact O-N 2.93Å; Y225-R227 VanDerWaalsContact C-N 3.28Å; R227-V248 WeakPolarHBondContact CA-O 3.46Å; R227-E249 IonicContact CZ-OE2 3.59Å; R227-E249 VanDerWaalsContact CZ-OE2 3.27Å; R227-E249 IonicContact NE-OE2 3.51Å; R227-E249 PolarHBondContact NE-OE2 3.19Å; R227-E249 IonicContact NH2-OE1 3.39Å; R227-E249 IonicContact NH2-OE2 2.74Å; R227-E249 PolarHBondContact NH2-OE2 2.87Å; R227-V250 HydrophobicContact CB-CB 4.19Å; R227-V250 HydrophobicContact CB-CG2 3.98Å; R227-N325 HydrophobicContact CB-CB 4.34Å; R227-N325 HydrophobicContact CG-CB 3.95Å; R227-N325 PolarHBondContact NH1-O 3.25Å
228G90.7Very high90.6Very high2 Ų243.5 Ų43.52%0.02120%0.203CC..EExtended strand (participates in β ladder)trans170.3168.1-17000000115.7D226 V248 N325D226-G228 PolarHBondContact O-N 2.86Å; G228-V248 PolarHBondContact N-O 2.79Å; G228-V248 PolarHBondContact O-N 3.38Å; G228-N325 WeakPolarHBondContact CA-ND2 3.39Å
229I92.5Very high89.8Confident66 Ų6645.1 Ų45.134%0.33822%0.224SC..EExtended strand (participates in β ladder)trans-89122165.1-58.2173000108A198 D245 V246 M247A198-I229 HydrophobicContact CB-CB 3.86Å; A198-I229 HydrophobicContact CB-CG2 3.69Å; A198-I229 PolarHBondContact N-O 3Å; I229-D245 HydrophobicContact CG2-CB 3.77Å; I229-V246 WeakPolarHBondContact CA-O 3.4Å; I229-M247 HydrophobicContact CD1-CE 3.89Å; I229-M247 HydrophobicContact CG1-CE 3.44Å; I229-M247 VanDerWaalsContact CG1-CE 3.44Å; I229-M247 HydrophobicContact CG1-SD 3.76Å
230Y92.4Very high89.4Confident0 Ų047.4 Ų47.40%025%0.248CC..EExtended strand (participates in β ladder)trans-101.4140.3172.7-70.6-103.5000108.9L181 R197 L203 L217 D226 D245 V246 V248L181-Y230 HydrophobicContact CD1-CG 4.34Å; R197-Y230 HydrophobicContact CG-CD1 4.41Å; R197-Y230 HydrophobicContact CG-CE1 4.22Å; R197-Y230 PolarHBondContact NH2-OH 3.06Å; L203-Y230 HydrophobicContact CD2-CD1 3.8Å; L203-Y230 HydrophobicContact CD2-CE1 3.79Å; L217-Y230 HydrophobicContact CD2-CD1 3.47Å; L217-Y230 VanDerWaalsContact CD2-CD1 3.47Å; L217-Y230 HydrophobicContact CD2-CE1 3.67Å; L217-Y230 HydrophobicContact CD2-CG 4.43Å; D226-Y230 VanDerWaalsContact O-CE2 3.3Å; D226-Y230 WeakPolarHBondContact O-CE2 3.18Å; D226-Y230 PolarHBondContact O-OH 2.96Å; D226-Y230 VanDerWaalsContact O-OH 3.05Å; Y230-D245 WeakPolarHBondContact O-CA 3.34Å; Y230-V246 PolarHBondContact N-O 2.97Å; Y230-V246 WeakPolarHBondContact O-CG1 3.45Å; Y230-V246 PolarHBondContact O-N 3.11Å; Y230-V248 HydrophobicContact CD2-CB 3.97Å; Y230-V248 HydrophobicContact CD2-CG2 3.48Å; Y230-V248 VanDerWaalsContact CD2-CG2 3.48Å; Y230-V248 HydrophobicContact CE2-CB 3.82Å; Y230-V248 HydrophobicContact CE2-CG1 4.42Å; Y230-V248 HydrophobicContact CE2-CG2 3.69Å; Y230-V248 HydrophobicContact CG-CG2 4.43Å
231R93.3Very high89.4Confident53 Ų5348.8 Ų48.820%0.226%0.259CS..EExtended strand (participates in β ladder)trans-114.5123.2179.2-173.1167.8-68.2163.20.1109.9W195 T196 Y233 E243 Y244 D245W195-R231 WeakPolarHBondContact CA-O 3Å; T196-R231 PolarHBondContact N-O 3.09Å; T196-R231 PolarHBondContact O-N 2.81Å; R231-Y233 HydrophobicContact CB-CE2 4.14Å; R231-Y233 WeakPolarHBondContact CD-OH 3.47Å; R231-Y233 HydrophobicContact CG-CD2 3.97Å; R231-Y233 HydrophobicContact CG-CE2 3.54Å; R231-Y233 PolarHBondContact NH1-OH 2.78Å; R231-E243 HydrophobicContact CG-CB 4.19Å; R231-Y244 WeakPolarHBondContact CA-O 3.3Å; R231-D245 WeakPolarHBondContact CB-OD1 3.43Å; R231-D245 WeakPolarHBondContact CD-OD1 3.26Å; R231-D245 WeakPolarHBondContact CG-OD1 3.41Å; R231-D245 IonicContact CZ-OD1 3.64Å; R231-D245 IonicContact CZ-OD2 3.47Å; R231-D245 IonicContact NE-OD1 2.61Å; R231-D245 PolarHBondContact NE-OD1 2.87Å; R231-D245 IonicContact NE-OD2 3.4Å; R231-D245 PolarHBondContact NE-OD2 2.85Å; R231-D245 IonicContact NH2-OD1 3.22Å; R231-D245 IonicContact NH2-OD2 3.44Å; R231-D245 PolarHBondContact NH2-OD2 3.44Å
232C93.5Very high89.6Confident0 Ų040.5 Ų40.50%023%0.231CC..EExtended strand (participates in β ladder)trans-86133.6165.8175.30000109.2I164 L168 C183 W195 E243 Y244I164-C232 HydrophobicContact CD1-CB 4.4Å; L168-C232 HydrophobicContact CD2-CB 4.04Å; C183-C232 HydrophobicContact CB-CB 3.68Å; C183-C232 WeakPolarHBondContact CB-SG 3.35Å; C183-C232 WeakPolarHBondContact SG-CB 2.96Å; C183-C232 CovalentContact SG-SG 2.02Å; C183-C232 PolarHBondContact SG-SG 2.8Å; W195-C232 HydrophobicContact CD2-CB 4.41Å; W195-C232 HydrophobicContact CE3-CB 4.11Å; W195-C232 HydrophobicContact CH2-CB 4.02Å; W195-C232 HydrophobicContact CZ2-CB 4.32Å; W195-C232 HydrophobicContact CZ3-CB 3.89Å; C232-E243 CarbonylContact O-C 3.48Å; C232-E243 WeakPolarHBondContact O-CA 3.17Å; C232-Y244 PolarHBondContact N-O 2.92Å; C232-Y244 PolarHBondContact O-N 3.21Å
233Y92.9Very high89.7Confident56 Ų5645.4 Ų45.422%0.2225%0.254CS..EExtended strand (participates in β ladder)trans-115135.5173-82.3-77.4000110.2I193 S194 T196 R231 E243I193-Y233 CarbonylContact C-O 3.54Å; I193-Y233 VanDerWaalsContact CA-O 3.26Å; I193-Y233 WeakPolarHBondContact CA-O 3.4Å; S194-Y233 PolarHBondContact N-O 2.02Å; S194-Y233 PolarHBondContact O-N 2.84Å; S194-Y233 WeakPolarHBondContact OG-CB 3.43Å; T196-Y233 HydrophobicContact CG2-CD2 4.11Å; T196-Y233 HydrophobicContact CG2-CE2 4.19Å; T196-Y233 WeakPolarHBondContact OG1-CE2 3.3Å; R231-Y233 HydrophobicContact CB-CE2 4.14Å; R231-Y233 WeakPolarHBondContact CD-OH 3.47Å; R231-Y233 HydrophobicContact CG-CD2 3.97Å; R231-Y233 HydrophobicContact CG-CE2 3.54Å; R231-Y233 PolarHBondContact NH1-OH 2.78Å; Y233-E243 HydrophobicContact CD1-CB 3.94Å; Y233-E243 HydrophobicContact CE1-CB 3.79Å; Y233-E243 WeakPolarHBondContact CE1-OE2 3.46Å; Y233-E243 PolarHBondContact OH-OE2 3.04Å
234A93.7Very high89.9Confident0 Ų047.7 Ų47.70%026%0.258CS..EExtended strand (participates in β ladder)trans-125.3120.8172.600000110.1P162 I164 A185 P191 M192 A242P162-A234 HydrophobicContact CB-CB 4.01Å; P162-A234 WeakPolarHBondContact CB-O 3.26Å; I164-A234 HydrophobicContact CD1-CB 4.45Å; I164-A234 HydrophobicContact CG1-CB 4Å; A185-A234 HydrophobicContact CB-CB 3.53Å; P191-A234 HydrophobicContact CB-CB 4.29Å; M192-A234 WeakPolarHBondContact O-CA 3.32Å; A234-A242 HydrophobicContact CB-CB 4.4Å; A234-A242 PolarHBondContact N-O 2.81Å; A234-A242 PolarHBondContact O-N 2.89Å
235V92.8Very high90.2Very high56 Ų5649.4 Ų49.434%0.33927%0.27SS..EExtended strand (participates in β ladder)trans-132.7141.2-175.7-59.40000111.4P191 M192P191-V235 CarbonylContact C-O 3.55Å; P191-V235 VanDerWaalsContact CA-O 3.29Å; P191-V235 WeakPolarHBondContact CA-O 3.44Å; M192-V235 HydrophobicContact CB-CG2 4.32Å; M192-V235 PolarHBondContact N-O 3.06Å; M192-V235 PolarHBondContact O-N 2.88Å
236N90.5Very high90.6Very high25 Ų2544.6 Ų44.613%0.13425%0.251CS..  trans-133.5-176.1165.667.29000109.4R160 P162 P189 V238R160-N236 PolarHBondContact O-ND2 3.11Å; P162-N236 WeakPolarHBondContact CD-OD1 3.43Å; P162-N236 HydrophobicContact CG-CB 4.24Å; P189-N236 WeakPolarHBondContact O-CB 3.29Å; P189-N236 PolarHBondContact O-ND2 2.86Å; N236-V238 PolarHBondContact O-N 2.92Å; N236-V238 WeakPolarHBondContact OD1-CB 2.94Å; N236-V238 WeakPolarHBondContact OD1-CG2 3.42Å; N236-V238 PolarHBondContact OD1-N 2.85Å
237N85.5Confident90.8Very high111 Ų11147.1 Ų47.159%0.59426%0.263SS*.SBendtrans-80.616.518068.7-2.7000113.9P189P189-N237 WeakPolarHBondContact CD-OD1 3.17Å; P189-N237 VanDerWaalsContact CG-OD1 3.3Å; P189-N237 WeakPolarHBondContact CG-OD1 3.44Å
238V82.5Confident91Very high18 Ų1845.6 Ų45.611%0.10926%0.258CS..SBendtrans-98.9152.3173.8-170.10000108K159 S188 N236 G240K159-V238 HydrophobicContact CB-CB 4.46Å; K159-V238 HydrophobicContact CB-CG1 3.94Å; K159-V238 HydrophobicContact CB-CG2 3.62Å; K159-V238 HydrophobicContact CD-CG2 4.03Å; K159-V238 HydrophobicContact CG-CG2 3.81Å; S188-V238 WeakPolarHBondContact O-CG2 3.07Å; N236-V238 PolarHBondContact O-N 2.92Å; N236-V238 WeakPolarHBondContact OD1-CB 2.94Å; N236-V238 WeakPolarHBondContact OD1-CG2 3.42Å; N236-V238 PolarHBondContact OD1-N 2.85Å; V238-G240 PolarHBondContact O-N 2.83Å
239A74.8Confident91.1Very high83 Ų8347.1 Ų47.169%0.68626%0.264SS*.SBendtrans-58.7125.1171.800000109.7
240G81.3Confident91.2Very high48 Ų4844 Ų4450%0.49525%0.248SC..  trans119.1147.5178.800000113.8P162 V238P162-G240 WeakPolarHBondContact CD-O 3.2Å; V238-G240 PolarHBondContact O-N 2.83Å
241S91.4Very high91.4Very high80 Ų8044.4 Ų44.456%0.55925%0.25SS*.EExtended strand (participates in β ladder)trans-135.1146.2172.955.40000108.6
242A94.6Very high91.5Very high17 Ų1742 Ų4214%0.1424%0.241CC..EExtended strand (participates in β ladder)trans-107.7140.7169.600000109.7P162 I164 A234P162-A242 HydrophobicContact CB-CB 4.35Å; P162-A242 WeakPolarHBondContact O-CB 3.45Å; I164-A242 HydrophobicContact CD1-CB 4.11Å; I164-A242 HydrophobicContact CG1-CB 3.88Å; A234-A242 HydrophobicContact CB-CB 4.4Å; A234-A242 PolarHBondContact N-O 2.81Å; A234-A242 PolarHBondContact O-N 2.89Å
243E94.5Very high91.7Very high104 Ų10443.8 Ų43.849%0.48626%0.256SS..EExtended strand (participates in β ladder)trans-132.7149.4173.862.7179-160.300110.9I164 R231 C232 Y233I164-E243 VanDerWaalsContact CD1-C 3.48Å; R231-E243 HydrophobicContact CG-CB 4.19Å; C232-E243 CarbonylContact O-C 3.48Å; C232-E243 WeakPolarHBondContact O-CA 3.17Å; Y233-E243 HydrophobicContact CD1-CB 3.94Å; Y233-E243 HydrophobicContact CE1-CB 3.79Å; Y233-E243 WeakPolarHBondContact CE1-OE2 3.46Å; Y233-E243 PolarHBondContact OH-OE2 3.04Å
244Y95.5Very high91.8Very high115 Ų11541.4 Ų41.445%0.45125%0.247SC..EExtended strand (participates in β ladder)trans-145.1128177.2-166.4-90000111I164 L168 R231 C232I164-Y244 HydrophobicContact CG2-CG 4.49Å; L168-Y244 HydrophobicContact CB-CD1 4.28Å; L168-Y244 HydrophobicContact CB-CE1 4.36Å; L168-Y244 HydrophobicContact CD2-CD1 3.81Å; L168-Y244 HydrophobicContact CG-CD1 4.1Å; L168-Y244 HydrophobicContact CG-CE1 4.35Å; L168-Y244 WeakPolarHBondContact O-CE1 3.44Å; R231-Y244 WeakPolarHBondContact CA-O 3.3Å; C232-Y244 PolarHBondContact N-O 2.92Å; C232-Y244 PolarHBondContact O-N 3.21Å
245D95.2Very high91.9Very high66 Ų6646.1 Ų46.135%0.35327%0.269SS..EExtended strand (participates in β ladder)trans-95.2135.3-179.5-78.7-9.6000111.7I229 Y230 R231I229-D245 HydrophobicContact CG2-CB 3.77Å; Y230-D245 WeakPolarHBondContact O-CA 3.34Å; R231-D245 WeakPolarHBondContact CB-OD1 3.43Å; R231-D245 WeakPolarHBondContact CD-OD1 3.26Å; R231-D245 WeakPolarHBondContact CG-OD1 3.41Å; R231-D245 IonicContact CZ-OD1 3.64Å; R231-D245 IonicContact CZ-OD2 3.47Å; R231-D245 IonicContact NE-OD1 2.61Å; R231-D245 PolarHBondContact NE-OD1 2.87Å; R231-D245 IonicContact NE-OD2 3.4Å; R231-D245 PolarHBondContact NE-OD2 2.85Å; R231-D245 IonicContact NH2-OD1 3.22Å; R231-D245 IonicContact NH2-OD2 3.44Å; R231-D245 PolarHBondContact NH2-OD2 3.44Å
246V95.3Very high92Very high1 Ų143.7 Ų43.71%0.00626%0.255CS..EExtended strand (participates in β ladder)trans-132.6133178.866.70000110.6L168 T169 L181 W195 I229 Y230L168-V246 HydrophobicContact CD1-CB 4.32Å; L168-V246 HydrophobicContact CD1-CG1 4.14Å; L168-V246 HydrophobicContact CD1-CG2 4.2Å; L168-V246 HydrophobicContact CD2-CB 4.32Å; L168-V246 HydrophobicContact CD2-CG1 4.2Å; L168-V246 HydrophobicContact CG-CB 4.06Å; L168-V246 HydrophobicContact CG-CG1 4.24Å; L168-V246 HydrophobicContact CG-CG2 4.24Å; T169-V246 VanDerWaalsContact O-CG2 3.24Å; T169-V246 WeakPolarHBondContact O-CG2 2.94Å; L181-V246 HydrophobicContact CD1-CG1 3.98Å; W195-V246 HydrophobicContact CH2-CG1 4.44Å; W195-V246 HydrophobicContact CZ3-CG1 4.03Å; I229-V246 WeakPolarHBondContact CA-O 3.4Å; Y230-V246 PolarHBondContact N-O 2.97Å; Y230-V246 WeakPolarHBondContact O-CG1 3.45Å; Y230-V246 PolarHBondContact O-N 3.11Å
247M94.2Very high92.1Very high57 Ų5747.5 Ų47.528%0.28127%0.267SS..EExtended strand (participates in β ladder)trans-86.2132.3177.2-175.163.78200110.7S170 K171 I229 E249S170-M247 CarbonylContact C-O 3.57Å; S170-M247 WeakPolarHBondContact CA-O 3.29Å; S170-M247 VanDerWaalsContact CB-O 3.29Å; S170-M247 WeakPolarHBondContact CB-O 3.25Å; S170-M247 PolarHBondContact OG-N 2.91Å; K171-M247 PolarHBondContact N-O 2.78Å; I229-M247 HydrophobicContact CD1-CE 3.89Å; I229-M247 HydrophobicContact CG1-CE 3.44Å; I229-M247 VanDerWaalsContact CG1-CE 3.44Å; I229-M247 HydrophobicContact CG1-SD 3.76Å; M247-E249 HydrophobicContact CG-CG 4.17Å
248V94.2Very high92.3Very high0 Ų046.1 Ų46.10%026%0.257CS..EExtended strand (participates in β ladder)trans-112.2111.7168.6176.90000108K171 V173 L179 L181 R227 G228 Y230 V250K171-V248 WeakPolarHBondContact O-CA 3.25Å; V173-V248 HydrophobicContact CG1-CG1 4.22Å; L179-V248 HydrophobicContact CD2-CB 4.37Å; L179-V248 HydrophobicContact CD2-CG1 3.56Å; L179-V248 HydrophobicContact CD2-CG2 3.84Å; L181-V248 HydrophobicContact CD1-CG2 3.92Å; R227-V248 WeakPolarHBondContact CA-O 3.46Å; G228-V248 PolarHBondContact N-O 2.79Å; G228-V248 PolarHBondContact O-N 3.38Å; Y230-V248 HydrophobicContact CD2-CB 3.97Å; Y230-V248 HydrophobicContact CD2-CG2 3.48Å; Y230-V248 VanDerWaalsContact CD2-CG2 3.48Å; Y230-V248 HydrophobicContact CE2-CB 3.82Å; Y230-V248 HydrophobicContact CE2-CG1 4.42Å; Y230-V248 HydrophobicContact CE2-CG2 3.69Å; Y230-V248 HydrophobicContact CG-CG2 4.43Å; V248-V250 HydrophobicContact CG1-CG2 4.23Å
249E93.1Very high92.3Very high34 Ų3446.5 Ų46.516%0.15926%0.262CS..EExtended strand (participates in β ladder)trans-93.9133.4170.4-69-64.7165.500109.7K171 I172 V173 R227 M247 Y284K171-E249 PolarHBondContact O-N 3.07Å; I172-E249 WeakPolarHBondContact CA-O 3.35Å; I172-E249 HydrophobicContact CG1-CB 4.12Å; V173-E249 WeakPolarHBondContact CG1-O 3.29Å; V173-E249 PolarHBondContact N-O 2.89Å; R227-E249 IonicContact CZ-OE2 3.59Å; R227-E249 VanDerWaalsContact CZ-OE2 3.27Å; R227-E249 IonicContact NE-OE2 3.51Å; R227-E249 PolarHBondContact NE-OE2 3.19Å; R227-E249 IonicContact NH2-OE1 3.39Å; R227-E249 IonicContact NH2-OE2 2.74Å; R227-E249 PolarHBondContact NH2-OE2 2.87Å; M247-E249 HydrophobicContact CG-CG 4.17Å; E249-Y284 HydrophobicContact CB-CE1 4.44Å
250V94.8Very high92.4Very high0 Ų049.8 Ų49.80%026%0.257CS..EExtended strand (participates in β ladder)trans-116.5119.2178-174.90000108.7V173 E175 V222 R227 V248 Y252 Y284V173-V250 HydrophobicContact CG1-CG2 4.12Å; V173-V250 CarbonylContact O-C 3.5Å; V173-V250 WeakPolarHBondContact O-CA 3.22Å; E175-V250 HydrophobicContact CB-CG1 4.2Å; V222-V250 HydrophobicContact CG1-CB 4.27Å; V222-V250 HydrophobicContact CG1-CG1 3.67Å; V222-V250 HydrophobicContact CG1-CG2 3.54Å; R227-V250 HydrophobicContact CB-CB 4.19Å; R227-V250 HydrophobicContact CB-CG2 3.98Å; V248-V250 HydrophobicContact CG1-CG2 4.23Å; V250-Y252 HydrophobicContact CG1-CD1 4.39Å; V250-Y252 VanDerWaalsContact O-CD1 3.26Å; V250-Y252 WeakPolarHBondContact O-CD1 3.23Å; V250-Y252 WeakPolarHBondContact O-CE1 3.4Å; V250-Y284 WeakPolarHBondContact O-CD1 3.49Å
251N96Very high92Very high9 Ų954 Ų545%0.04826%0.262CS..EExtended strand (participates in β ladder)trans-87.3136174.1-66.7-49.6000110.8I172 V173 T174 E175 Y284 Y354I172-N251 WeakPolarHBondContact CG2-ND2 3.14Å; V173-N251 PolarHBondContact O-N 2.77Å; T174-N251 CarbonylContact C-O 3.57Å; T174-N251 WeakPolarHBondContact CA-O 3.42Å; T174-N251 HydrophobicContact CG2-CB 4.45Å; E175-N251 PolarHBondContact N-O 3.06Å; N251-Y284 WeakPolarHBondContact CA-O 3.48Å; N251-Y354 HydrophobicContact CB-CD2 4.01Å; N251-Y354 HydrophobicContact CB-CE1 4.09Å; N251-Y354 HydrophobicContact CB-CE2 3.36Å; N251-Y354 VanDerWaalsContact CB-CZ 3.41Å; N251-Y354 VanDerWaalsContact CG-OH 3.25Å; N251-Y354 PolarHBondContact ND2-OH 3.44Å
252Y95.7Very high91.4Very high2 Ų259.1 Ų59.11%0.00827%0.274CS..EExtended strand (participates in β ladder)trans-155.8152.1178.854-82.4000111.8E175 R224 V250 N282 Y284 N352E175-Y252 WeakPolarHBondContact OE2-CB 3.25Å; R224-Y252 HydrophobicContact CB-CD1 3.69Å; R224-Y252 HydrophobicContact CB-CD2 4.28Å; R224-Y252 HydrophobicContact CB-CE1 3.66Å; R224-Y252 HydrophobicContact CB-CE2 4.2Å; R224-Y252 HydrophobicContact CB-CG 4.02Å; R224-Y252 VanDerWaalsContact NH1-CD2 3.32Å; V250-Y252 HydrophobicContact CG1-CD1 4.39Å; V250-Y252 VanDerWaalsContact O-CD1 3.26Å; V250-Y252 WeakPolarHBondContact O-CD1 3.23Å; V250-Y252 WeakPolarHBondContact O-CE1 3.4Å; Y252-N282 VanDerWaalsContact CE2-OD1 3.25Å; Y252-N282 WeakPolarHBondContact CE2-OD1 3.3Å; Y252-N282 PolarHBondContact OH-ND2 3.41Å; Y252-Y284 VanDerWaalsContact CE1-CB 3.49Å; Y252-Y284 PolarHBondContact N-O 3.02Å; Y252-Y284 PolarHBondContact O-N 3.4Å; Y252-N352 PolarHBondContact O-ND2 2.9Å
253A96.6Very high90.7Very high37 Ų3758.5 Ų58.531%0.30627%0.269SS..EExtended strand (participates in β ladder)trans-64.4148.3176.400000111H255A253-H255 PolarHBondContact O-N 3.25Å
254P96.2Very high90.1Very high6 Ų655.3 Ų55.34%0.03926%0.261CS..EExtended strand (participates in β ladder)trans-64.6137.9179.327.8-33.9000110.7V281 N282 P287 A350 N352 G355 N357P254-V281 HydrophobicContact CB-CG1 4.23Å; P254-N282 CarbonylContact C-O 3.51Å; P254-N282 WeakPolarHBondContact CA-O 3.23Å; P254-P287 HydrophobicContact CB-CB 4.01Å; P254-P287 HydrophobicContact CB-CG 4.21Å; P254-P287 HydrophobicContact CG-CB 4.39Å; P254-A350 HydrophobicContact CB-CB 3.71Å; P254-A350 HydrophobicContact CG-CB 4.14Å; P254-A350 WeakPolarHBondContact CG-O 2.96Å; P254-N352 WeakPolarHBondContact CD-OD1 3.34Å; P254-G355 VanDerWaalsContact CD-O 3.28Å; P254-G355 WeakPolarHBondContact CD-O 3.39Å; P254-N357 WeakPolarHBondContact O-CB 3.33Å
255H95Very high89.6Confident99 Ų9950.4 Ų50.446%0.45824%0.242SC..EExtended strand (participates in β ladder)trans-113.8116.4168.9-179.3-76.6000108.1A253 N282A253-H255 PolarHBondContact O-N 3.25Å; H255-N282 PolarHBondContact N-O 2.88Å; H255-N282 PolarHBondContact O-N 3.04Å
256V94.9Very high89.1Confident6 Ų647.3 Ų47.34%0.03623%0.225CC..EExtended strand (participates in β ladder)trans-99134179.2-168.80000109C279 V281 A350 N357 V359V256-C279 HydrophobicContact CG1-CB 4.14Å; V256-V281 HydrophobicContact CG1-CG2 4.09Å; V256-V281 HydrophobicContact CG2-CG1 4.4Å; V256-V281 HydrophobicContact CG2-CG2 4.15Å; V256-A350 HydrophobicContact CG2-CB 3.54Å; V256-N357 WeakPolarHBondContact CB-OD1 3.46Å; V256-N357 HydrophobicContact CG2-CB 4.09Å; V256-N357 WeakPolarHBondContact CG2-O 3.38Å; V256-N357 PolarHBondContact N-OD1 3.41Å; V256-V359 HydrophobicContact CB-CG1 3.98Å; V256-V359 HydrophobicContact CG1-CB 4.17Å; V256-V359 HydrophobicContact CG1-CG1 3.79Å; V256-V359 HydrophobicContact CG1-CG2 3.53Å; V256-V359 VanDerWaalsContact O-CG1 3.31Å; V256-V359 WeakPolarHBondContact O-CG1 3.46Å
257R93.2Very high88.7Confident105 Ų10547.4 Ų47.440%0.39623%0.225SC..EExtended strand (participates in β ladder)trans-132.6152.9174.967.1-175.2-179.4-150.5-4.1110.5I280 D328R257-I280 HydrophobicContact CG-CB 3.76Å; R257-I280 HydrophobicContact CG-CG2 4.37Å; R257-I280 PolarHBondContact N-O 2.98Å; R257-I280 PolarHBondContact O-N 2.75Å; R257-D328 IonicContact CZ-OD1 2.67Å; R257-D328 IonicContact CZ-OD2 3.57Å; R257-D328 IonicContact NH2-OD1 3.52Å; R257-D328 PolarHBondContact NH2-OD1 3.05Å; R257-D328 IonicContact NH2-OD2 2.79Å; R257-D328 PolarHBondContact NH2-OD2 2.87Å
258E89.3Confident88.1Confident81 Ų8145.2 Ų45.238%0.37922%0.217SC..EExtended strand (participates in β ladder)trans-67.9138.4174.2-61.3160.6177.600109.7K262 G263 V359 L361E258-K262 WeakPolarHBondContact OE2-CA 3.12Å; E258-G263 PolarHBondContact OE2-N 2.9Å; E258-G263 VanDerWaalsContact OE2-N 3.16Å; E258-V359 HydrophobicContact CG-CB 4.38Å; E258-L361 HydrophobicContact CB-CD2 4.35Å; E258-L361 HydrophobicContact CG-CD2 3.8Å
259A82.3Confident87.4Confident27 Ų2746.7 Ų46.722%0.22323%0.226CC..  trans-78.8-42.2-179.400000112.5E278 I280A259-E278 HydrophobicContact CB-CB 3.77Å; A259-E278 HydrophobicContact CB-CG 3.49Å; A259-E278 VanDerWaalsContact CB-CG 3.49Å; A259-E278 WeakPolarHBondContact CB-O 3.26Å; A259-E278 WeakPolarHBondContact CB-OE2 3.48Å; A259-E278 PolarHBondContact N-O 3.38Å; A259-I280 HydrophobicContact CB-CD1 3.98Å; A259-I280 HydrophobicContact CB-CG1 3.77Å
260R76.7Confident86.4Confident151 Ų15150.4 Ų50.457%0.5725%0.247SC*.SBendtrans-142.3161.7-172.8-57.7-177.2-170.5-133.5-0.3111.4K262 G263 E278R260-K262 PolarHBondContact O-N 3.02Å; R260-G263 PolarHBondContact O-N 3.19Å; R260-E278 IonicContact NE-OE2 3.52Å; R260-E278 PolarHBondContact NE-OE2 2.76Å
261F73.1Confident85.3Confident138 Ų13852 Ų5261%0.60526%0.264SS*.G310 helixtrans49.327.5167.1-54.3-67.8000116.6G263 A264F261-G263 PolarHBondContact O-N 3.15Å; F261-A264 WeakPolarHBondContact CB-O 3.33Å; F261-A264 PolarHBondContact O-N 2.7Å; F261-A264 VanDerWaalsContact O-N 3.13Å
262K78Confident84.4Confident187 Ų18757.7 Ų57.781%0.81329%0.294SS*.G310 helixtrans49.739.8-174.2-58.6-178.7178.3-1800112.8E258 R260 A264E258-K262 WeakPolarHBondContact OE2-CA 3.12Å; R260-K262 PolarHBondContact O-N 3.02Å; K262-A264 VanDerWaalsContact C-N 3.28Å; K262-A264 PolarHBondContact O-N 2.97Å
263G79.9Confident83.9Confident3 Ų359.8 Ų59.83%0.03130%0.302CS..G310 helixtrans76.84.2176.600000115.6E258 R260 F261 Y265 L361 S362E258-G263 PolarHBondContact OE2-N 2.9Å; E258-G263 VanDerWaalsContact OE2-N 3.16Å; R260-G263 PolarHBondContact O-N 3.19Å; F261-G263 PolarHBondContact O-N 3.15Å; G263-Y265 WeakPolarHBondContact O-CD2 3.3Å; G263-L361 CarbonylContact O-C 3.52Å; G263-L361 VanDerWaalsContact O-CA 3.26Å; G263-L361 WeakPolarHBondContact O-CA 3.41Å; G263-S362 PolarHBondContact O-N 3.25Å
264A83.1Confident83.5Confident38 Ų3860.2 Ų60.231%0.31430%0.299SS..EExtended strand (participates in β ladder)trans-102.5123.5179.600000111.8F261 K262 F364F261-A264 WeakPolarHBondContact CB-O 3.33Å; F261-A264 PolarHBondContact O-N 2.7Å; F261-A264 VanDerWaalsContact O-N 3.13Å; K262-A264 VanDerWaalsContact C-N 3.28Å; K262-A264 PolarHBondContact O-N 2.97Å; A264-F364 HydrophobicContact CB-CE1 3.94Å
265Y85.7Confident83.2Confident12 Ų1260.5 Ų60.55%0.04730%0.301CS..EExtended strand (participates in β ladder)trans-125.7115.7-175.4-63.1-100.5000109.7G263 M275 L277 E278 L361 S362 L363 F364G263-Y265 WeakPolarHBondContact O-CD2 3.3Å; Y265-M275 HydrophobicContact CD1-SD 4.02Å; Y265-M275 HydrophobicContact CG-SD 4.47Å; Y265-L277 HydrophobicContact CD1-CD2 4.01Å; Y265-L277 HydrophobicContact CD2-CD2 3.73Å; Y265-L277 HydrophobicContact CE1-CD2 4.49Å; Y265-L277 HydrophobicContact CE2-CD2 4.26Å; Y265-L277 HydrophobicContact CG-CD2 3.6Å; Y265-E278 PolarHBondContact OH-O 2.85Å; Y265-L361 HydrophobicContact CD2-CB 4.34Å; Y265-L361 HydrophobicContact CE2-CB 4.11Å; Y265-L361 HydrophobicContact CE2-CD1 4.13Å; Y265-L361 HydrophobicContact CE2-CD2 4.15Å; Y265-L361 HydrophobicContact CE2-CG 4.36Å; Y265-S362 PolarHBondContact N-O 3.49Å; Y265-L363 WeakPolarHBondContact O-CA 3.47Å; Y265-L363 WeakPolarHBondContact O-CD1 2.98Å; Y265-F364 VanDerWaalsContact C-CE1 3.45Å; Y265-F364 VanDerWaalsContact O-CD1 3.29Å; Y265-F364 WeakPolarHBondContact O-CD1 3.16Å; Y265-F364 PolarHBondContact O-N 3.11Å
266G84.7Confident83Confident1 Ų158 Ų581%0.0129%0.292CS..EExtended strand (participates in β ladder)trans-96.1134.4177.300000111.9M275 F364G266-M275 WeakPolarHBondContact O-CE 3.27Å; G266-F364 WeakPolarHBondContact CA-O 3.48Å
267Q86.2Confident82.9Confident2 Ų257.7 Ų57.71%0.00929%0.29CS..EExtended strand (participates in β ladder)trans-142.2142.6173.3-168.156.8-5100112.9D274 M275 V338 Y343 L363 F364 Q366 C369Q267-D274 PolarHBondContact NE2-O 2.88Å; Q267-M275 HydrophobicContact CB-CE 3.65Å; Q267-M275 HydrophobicContact CG-CE 4.15Å; Q267-V338 HydrophobicContact CB-CG1 4.32Å; Q267-V338 HydrophobicContact CG-CB 4.08Å; Q267-V338 HydrophobicContact CG-CG1 4.19Å; Q267-V338 HydrophobicContact CG-CG2 4.11Å; Q267-Y343 WeakPolarHBondContact O-CE1 3.35Å; Q267-Y343 PolarHBondContact O-OH 2.92Å; Q267-L363 HydrophobicContact CB-CD1 4.14Å; Q267-F364 PolarHBondContact N-O 3.15Å; Q267-F364 VanDerWaalsContact N-O 3.07Å; Q267-Q366 CarbonylContact C-O 3.49Å; Q267-Q366 PolarHBondContact O-N 3.42Å; Q267-C369 PolarHBondContact OE1-SG 2.81Å
268A81.6Confident82.8Confident12 Ų1254.2 Ų54.210%0.09928%0.279CS..  trans-71.5136173.400000110.9Y273 Q366A268-Y273 HydrophobicContact CB-CD2 4.35Å; A268-Y273 HydrophobicContact CB-CE2 4.46Å; A268-Q366 WeakPolarHBondContact CA-O 3.38Å; A268-Q366 WeakPolarHBondContact CB-O 3.49Å; A268-Q366 PolarHBondContact N-O 2.78Å
269P78.3Confident83Confident31 Ų3150.4 Ų50.420%0.20126%0.261CS..SBendtrans-72.7149.1176.331.1-30.6000107.9V340 Y343 Y365P269-V340 HydrophobicContact CB-CG2 3.94Å; P269-Y343 WeakPolarHBondContact CA-OH 3.49Å; P269-Y343 HydrophobicContact CB-CE2 4.25Å; P269-Y343 WeakPolarHBondContact CB-OH 3.3Å; P269-Y343 WeakPolarHBondContact CD-OH 3.31Å; P269-Y365 VanDerWaalsContact CD-CD2 3.42Å; P269-Y365 HydrophobicContact CG-CD2 3.66Å; P269-Y365 HydrophobicContact CG-CE2 3.46Å; P269-Y365 VanDerWaalsContact CG-CE2 3.46Å
270D73.5Confident83.5Confident112 Ų11250 Ų5060%0.59926%0.255SS*.SBendtrans56.584.4163.4-54-42.4000113.7V338D270-V338 PolarHBondContact N-O 2.89Å
271G71.7Confident84.3Confident34 Ų3442.8 Ų42.835%0.35123%0.227SC..SBendtrans-170.119.4176.200000114.1Y273G271-Y273 PolarHBondContact O-N 2.68Å
272N77.3Confident85.3Confident127 Ų12736.8 Ų36.868%0.67920%0.201SC*.SBendtrans53.933.2-169-163.154.6000112.5N337N272-N337 PolarHBondContact N-OD1 3.33Å
273Y84.8Confident86Confident46 Ų4628 Ų2818%0.1817%0.165CC..  trans-92129.5176.5-57.3-58.3000110A268 G271 N337 V338 P375A268-Y273 HydrophobicContact CB-CD2 4.35Å; A268-Y273 HydrophobicContact CB-CE2 4.46Å; G271-Y273 PolarHBondContact O-N 2.68Å; Y273-N337 WeakPolarHBondContact O-CA 3.35Å; Y273-V338 PolarHBondContact O-N 2.69Å; Y273-P375 VanDerWaalsContact CE1-CD 3.47Å; Y273-P375 HydrophobicContact CE1-CG 3.71Å
274D89.1Confident86.6Confident46 Ų4630.5 Ų30.525%0.24617%0.174CC..  trans-93.4156.2174.6-62.3-15.4000110.1Q267 L334 I335 R336 N337Q267-D274 PolarHBondContact NE2-O 2.88Å; D274-L334 HydrophobicContact CB-CD1 3.87Å; D274-I335 WeakPolarHBondContact CA-O 3.35Å; D274-R336 VanDerWaalsContact OD1-CA 3.24Å; D274-R336 WeakPolarHBondContact OD1-CA 3.22Å; D274-N337 PolarHBondContact OD1-N 3.34Å
275M89Confident87.1Confident13 Ų1330.7 Ų30.76%0.06417%0.171CC..EExtended strand (participates in β ladder)trans-129.9136.8175.2174.354.871.100110.1Y265 G266 Q267 L277 L334 I335 V338 L363Y265-M275 HydrophobicContact CD1-SD 4.02Å; Y265-M275 HydrophobicContact CG-SD 4.47Å; G266-M275 WeakPolarHBondContact O-CE 3.27Å; Q267-M275 HydrophobicContact CB-CE 3.65Å; Q267-M275 HydrophobicContact CG-CE 4.15Å; M275-L277 HydrophobicContact CG-CD2 4Å; M275-L277 HydrophobicContact SD-CD2 4.48Å; M275-L334 CarbonylContact O-C 3.55Å; M275-L334 WeakPolarHBondContact O-CA 3.41Å; M275-I335 PolarHBondContact N-O 3.39Å; M275-I335 PolarHBondContact O-N 3.08Å; M275-V338 HydrophobicContact CB-CG2 3.63Å; M275-L363 HydrophobicContact CE-CD1 4.36Å; M275-L363 HydrophobicContact CG-CD1 3.91Å
276T90.1Very high87.2Confident45 Ų4534.7 Ų34.728%0.27619%0.193SC..EExtended strand (participates in β ladder)trans-111.7115.7174.2-50.90000109.5T332 L333T276-T332 HydrophobicContact CG2-CG2 4.01Å; T276-L333 WeakPolarHBondContact CA-O 3.45Å
277L92.6Very high87.7Confident0 Ų035.3 Ų35.30%020%0.198CC..EExtended strand (participates in β ladder)trans-88.4139.9167.6-54.5-174.2000108.7Y265 M275 W291 T332 L333 I335 Y346 L361Y265-L277 HydrophobicContact CD1-CD2 4.01Å; Y265-L277 HydrophobicContact CD2-CD2 3.73Å; Y265-L277 HydrophobicContact CE1-CD2 4.49Å; Y265-L277 HydrophobicContact CE2-CD2 4.26Å; Y265-L277 HydrophobicContact CG-CD2 3.6Å; M275-L277 HydrophobicContact CG-CD2 4Å; M275-L277 HydrophobicContact SD-CD2 4.48Å; L277-W291 HydrophobicContact CB-CH2 3.85Å; L277-W291 HydrophobicContact CB-CZ3 4.01Å; L277-T332 CarbonylContact O-C 3.57Å; L277-T332 VanDerWaalsContact O-CA 3.31Å; L277-T332 WeakPolarHBondContact O-CA 3.32Å; L277-L333 HydrophobicContact CB-CB 4.36Å; L277-L333 HydrophobicContact CD1-CD2 4.33Å; L277-L333 PolarHBondContact N-O 2.79Å; L277-L333 PolarHBondContact O-N 2.92Å; L277-I335 HydrophobicContact CD1-CD1 4.04Å; L277-I335 HydrophobicContact CG-CD1 4.32Å; L277-Y346 HydrophobicContact CD1-CD1 4.12Å; L277-Y346 HydrophobicContact CD1-CD2 3.63Å; L277-Y346 HydrophobicContact CD1-CE2 4.33Å; L277-Y346 HydrophobicContact CD1-CG 3.51Å; L277-L361 HydrophobicContact CB-CD1 3.88Å
278E92Very high88.1Confident33 Ų3341 Ų4115%0.15423%0.228CC..EExtended strand (participates in β ladder)trans-138.1129.3-172.7-172.6-175.5-157.900110.4A259 R260 Y265 F330 S331 T332A259-E278 HydrophobicContact CB-CB 3.77Å; A259-E278 HydrophobicContact CB-CG 3.49Å; A259-E278 VanDerWaalsContact CB-CG 3.49Å; A259-E278 WeakPolarHBondContact CB-O 3.26Å; A259-E278 WeakPolarHBondContact CB-OE2 3.48Å; A259-E278 PolarHBondContact N-O 3.38Å; R260-E278 IonicContact NE-OE2 3.52Å; R260-E278 PolarHBondContact NE-OE2 2.76Å; Y265-E278 PolarHBondContact OH-O 2.85Å; E278-F330 WeakPolarHBondContact OE1-CD1 3.4Å; E278-S331 WeakPolarHBondContact CA-O 3.27Å; E278-T332 HydrophobicContact CB-CG2 4.3Å; E278-T332 HydrophobicContact CG-CG2 3.96Å
279C93.7Very high88.7Confident0 Ų042.1 Ų42.10%023%0.232CC..EExtended strand (participates in β ladder)trans-124.814317399.90000109.9V256 W291 S331 C348 V359V256-C279 HydrophobicContact CG1-CB 4.14Å; C279-W291 HydrophobicContact CB-CH2 4.25Å; C279-W291 HydrophobicContact CB-CZ2 4.38Å; C279-S331 PolarHBondContact N-O 3.31Å; C279-S331 PolarHBondContact O-N 3.24Å; C279-C348 HydrophobicContact CB-CB 3.38Å; C279-C348 WeakPolarHBondContact CB-SG 3.11Å; C279-C348 WeakPolarHBondContact SG-CB 3.48Å; C279-C348 CovalentContact SG-SG 2.04Å; C279-C348 PolarHBondContact SG-SG 3.47Å; C279-V359 HydrophobicContact CB-CG2 3.97Å
280I93.2Very high89.6Confident19 Ų1943.3 Ų43.310%0.09724%0.237CC..EExtended strand (participates in β ladder)trans-105.3127.6177.7-52.4173000108.1R257 A259 D328 F330R257-I280 HydrophobicContact CG-CB 3.76Å; R257-I280 HydrophobicContact CG-CG2 4.37Å; R257-I280 PolarHBondContact N-O 2.98Å; R257-I280 PolarHBondContact O-N 2.75Å; A259-I280 HydrophobicContact CB-CD1 3.98Å; A259-I280 HydrophobicContact CB-CG1 3.77Å; I280-D328 HydrophobicContact CG2-CB 3.82Å; I280-F330 HydrophobicContact CD1-CD1 4.28Å; I280-F330 HydrophobicContact CD1-CE1 3.8Å; I280-F330 HydrophobicContact CG1-CD1 3.78Å; I280-F330 HydrophobicContact CG1-CE1 3.8Å; I280-F330 HydrophobicContact CG2-CE1 4.45Å
281V93.9Very high90.7Very high0 Ų038.1 Ų38.10%021%0.208CC..EExtended strand (participates in β ladder)trans-119.6132.4-176.2-176.10000109.7P254 V256 P287 L289 V329 A350P254-V281 HydrophobicContact CB-CG1 4.23Å; V256-V281 HydrophobicContact CG1-CG2 4.09Å; V256-V281 HydrophobicContact CG2-CG1 4.4Å; V256-V281 HydrophobicContact CG2-CG2 4.15Å; V281-P287 HydrophobicContact CG1-CG 3.62Å; V281-L289 HydrophobicContact CB-CD2 4.17Å; V281-L289 HydrophobicContact CG1-CD2 4.05Å; V281-L289 HydrophobicContact CG2-CD2 3.73Å; V281-V329 PolarHBondContact N-O 3.42Å; V281-V329 PolarHBondContact O-N 3.12Å; V281-A350 HydrophobicContact CG1-CB 3.5Å; V281-A350 HydrophobicContact CG2-CB 4.17Å
282N92.2Very high91.9Very high11 Ų1137.1 Ų37.16%0.05919%0.194CC..EExtended strand (participates in β ladder)trans-124.8114.6170.3177.2-118.5000110.9R224 Y252 P254 H255 V326 T327R224-N282 WeakPolarHBondContact CD-OD1 3.12Å; R224-N282 PolarHBondContact NH1-OD1 3.11Å; Y252-N282 VanDerWaalsContact CE2-OD1 3.25Å; Y252-N282 WeakPolarHBondContact CE2-OD1 3.3Å; Y252-N282 PolarHBondContact OH-ND2 3.41Å; P254-N282 CarbonylContact C-O 3.51Å; P254-N282 WeakPolarHBondContact CA-O 3.23Å; H255-N282 PolarHBondContact N-O 2.88Å; H255-N282 PolarHBondContact O-N 3.04Å; N282-V326 WeakPolarHBondContact ND2-CG1 3.32Å; N282-T327 PolarHBondContact ND2-O 3.41Å
283G93.4Very high92.7Very high4 Ų434.7 Ų34.74%0.04118%0.184CC..EExtended strand (participates in β ladder)trans-161.6151.8-17800000111.4
284Y93.1Very high93.2Very high55 Ų5533.9 Ų33.922%0.21619%0.19CC..EExtended strand (participates in β ladder)trans-145.3134.2172.6-170.6-97000112E249 V250 N251 Y252E249-Y284 HydrophobicContact CB-CE1 4.44Å; V250-Y284 WeakPolarHBondContact O-CD1 3.49Å; N251-Y284 WeakPolarHBondContact CA-O 3.48Å; Y252-Y284 VanDerWaalsContact CE1-CB 3.49Å; Y252-Y284 PolarHBondContact N-O 3.02Å; Y252-Y284 PolarHBondContact O-N 3.4Å
285P92.5Very high93.4Very high41 Ų4136.6 Ų36.627%0.26620%0.203SC..SBendcis-57.8162.7-4.6-24.634.9000112.9N352 Y354P285-N352 PolarHBondContact O-ND2 2.83Å; P285-N352 VanDerWaalsContact O-ND2 3.13Å; P285-Y354 HydrophobicContact CG-CE2 4.5Å
286D89.3Confident93.6Very high96 Ų9637.1 Ų37.151%0.51321%0.205SC..  trans-45.7121-177-68.1-11.2000110.7
287P94.1Very high93.7Very high15 Ų1537.8 Ų37.810%0.09721%0.207CC..  trans-78.8148.7-177.530-33.1000112P254 V281 L289 A350 E351 N352P254-P287 HydrophobicContact CB-CB 4.01Å; P254-P287 HydrophobicContact CB-CG 4.21Å; P254-P287 HydrophobicContact CG-CB 4.39Å; V281-P287 HydrophobicContact CG1-CG 3.62Å; P287-L289 HydrophobicContact CG-CD2 4.31Å; P287-A350 HydrophobicContact CB-CB 4.11Å; P287-A350 HydrophobicContact CG-CB 4.32Å; P287-E351 CarbonylContact C-O 3.53Å; P287-E351 WeakPolarHBondContact CA-O 3.4Å; P287-E351 WeakPolarHBondContact CB-O 3.21Å; P287-N352 HydrophobicContact CB-CB 4.24Å
288D94.4Very high93.4Very high121 Ų12142.5 Ų42.565%0.64724%0.237SC*.EExtended strand (participates in β ladder)trans-70.5130168.1-69.1-37.9000109.6A350 E351D288-A350 CarbonylContact O-C 3.57Å; D288-A350 VanDerWaalsContact O-CA 3.29Å; D288-A350 WeakPolarHBondContact O-CA 3.48Å; D288-E351 PolarHBondContact N-O 3.12Å; D288-E351 PolarHBondContact O-N 2.74Å
289L95.7Very high93.3Very high35 Ų3548.3 Ų48.318%0.18327%0.268CS..EExtended strand (participates in β ladder)trans-111.2125.1-173.9-59.4-179.5000110.4V281 P287 K315 V329 R349 A350V281-L289 HydrophobicContact CB-CD2 4.17Å; V281-L289 HydrophobicContact CG1-CD2 4.05Å; V281-L289 HydrophobicContact CG2-CD2 3.73Å; P287-L289 HydrophobicContact CG-CD2 4.31Å; L289-K315 HydrophobicContact CD1-CB 4.33Å; L289-V329 HydrophobicContact CD1-CG1 3.82Å; L289-R349 WeakPolarHBondContact CA-O 3.22Å; L289-A350 HydrophobicContact CD2-CB 3.68Å
290L95.8Very high93.1Very high57 Ų5751.5 Ų51.530%0.29829%0.287SS..EExtended strand (participates in β ladder)trans-136137.9-178.4-64.7174.1000110.8Y292 P304 R349L290-Y292 HydrophobicContact CB-CE2 3.64Å; L290-Y292 WeakPolarHBondContact CD1-OH 3.41Å; L290-P304 HydrophobicContact CD2-CB 4.34Å; L290-R349 PolarHBondContact N-O 3.42Å; L290-R349 PolarHBondContact O-N 3.21Å
291W97.4Very high92.7Very high2 Ų258.8 Ų58.81%0.00833%0.327CS..EExtended strand (participates in β ladder)trans-103.8143.6174.7-75.294.8000110.7L277 C279 P304 L305 L313 S331 L333 S347 C348 L361L277-W291 HydrophobicContact CB-CH2 3.85Å; L277-W291 HydrophobicContact CB-CZ3 4.01Å; C279-W291 HydrophobicContact CB-CH2 4.25Å; C279-W291 HydrophobicContact CB-CZ2 4.38Å; W291-P304 CarbonylContact O-C 3.57Å; W291-P304 VanDerWaalsContact O-CA 3.3Å; W291-P304 WeakPolarHBondContact O-CA 3.27Å; W291-L305 HydrophobicContact CB-CB 4.12Å; W291-L305 HydrophobicContact CB-CD1 4.27Å; W291-L305 PolarHBondContact O-N 2.61Å; W291-L313 HydrophobicContact CB-CD2 4.36Å; W291-L313 HydrophobicContact CG-CD2 4.44Å; W291-S331 WeakPolarHBondContact CZ2-O 3.41Å; W291-S331 PolarHBondContact NE1-OG 2.74Å; W291-L333 HydrophobicContact CB-CD2 4.28Å; W291-L333 HydrophobicContact CD2-CB 3.68Å; W291-L333 HydrophobicContact CD2-CD2 4.04Å; W291-L333 HydrophobicContact CD2-CG 4.43Å; W291-L333 HydrophobicContact CE3-CB 4.03Å; W291-L333 HydrophobicContact CE3-CD2 3.84Å; W291-L333 HydrophobicContact CG-CB 4.06Å; W291-L333 HydrophobicContact CG-CD2 4.25Å; W291-L333 HydrophobicContact CH2-CB 4.26Å; W291-L333 HydrophobicContact CZ2-CB 3.95Å; W291-L333 HydrophobicContact CZ3-CB 4.3Å; W291-L333 HydrophobicContact CZ3-CD2 4.44Å; W291-S347 CarbonylContact C-O 3.58Å; W291-S347 WeakPolarHBondContact CA-O 3.18Å; W291-C348 HydrophobicContact CD2-CB 4.22Å; W291-C348 HydrophobicContact CE3-CB 3.95Å; W291-C348 HydrophobicContact CH2-CB 3.72Å; W291-C348 HydrophobicContact CZ2-CB 3.98Å; W291-C348 VanDerWaalsContact CZ2-SG 3.5Å; W291-C348 HydrophobicContact CZ3-CB 3.69Å; W291-L361 HydrophobicContact CH2-CD1 3.53Å; W291-L361 HydrophobicContact CZ3-CD1 3.67Å
292Y96.8Very high92.5Very high14 Ų1460.6 Ų60.66%0.05534%0.336CS..EExtended strand (participates in β ladder)trans-133.2147.1177.9-61.9-94000110.6L290 Y296 N302 P304 Y346 S347 R349L290-Y292 HydrophobicContact CB-CE2 3.64Å; L290-Y292 WeakPolarHBondContact CD1-OH 3.41Å; Y292-Y296 HydrophobicContact CD1-CD2 4.03Å; Y292-Y296 AromaticContact CD2-CD2 3.62Å; Y292-Y296 HydrophobicContact CD2-CD2 3.62Å; Y292-Y296 HydrophobicContact CD2-CE2 4.33Å; Y292-Y296 HydrophobicContact CD2-CG 4.35Å; Y292-Y296 AromaticContact CE1-CD2 3.95Å; Y292-Y296 HydrophobicContact CE1-CD2 3.95Å; Y292-Y296 AromaticContact CE1-CE2 3.99Å; Y292-Y296 HydrophobicContact CE1-CE2 3.99Å; Y292-Y296 AromaticContact CE2-CD2 3.57Å; Y292-Y296 HydrophobicContact CE2-CD2 3.57Å; Y292-Y296 AromaticContact CE2-CE2 3.81Å; Y292-Y296 HydrophobicContact CE2-CE2 3.81Å; Y292-Y296 AromaticContact CG-CD2 3.86Å; Y292-Y296 HydrophobicContact CG-CD2 3.86Å; Y292-Y296 AromaticContact CZ-CD2 3.73Å; Y292-Y296 AromaticContact CZ-CE2 3.61Å; Y292-N302 HydrophobicContact CD1-CB 3.52Å; Y292-N302 HydrophobicContact CE1-CB 3.67Å; Y292-N302 HydrophobicContact CG-CB 4.48Å; Y292-P304 HydrophobicContact CD1-CB 4.28Å; Y292-P304 HydrophobicContact CE1-CB 3.82Å; Y292-P304 HydrophobicContact CE1-CG 4.34Å; Y292-Y346 CarbonylContact O-C 3.58Å; Y292-Y346 VanDerWaalsContact O-CA 3.29Å; Y292-Y346 WeakPolarHBondContact O-CA 3.22Å; Y292-S347 PolarHBondContact N-O 3.47Å; Y292-S347 PolarHBondContact O-N 3.49Å; Y292-R349 HydrophobicContact CD2-CB 4.31Å; Y292-R349 HydrophobicContact CE2-CB 3.92Å
293T94.3Very high92.6Very high75 Ų7568.1 Ų68.146%0.4637%0.368SS..EExtended strand (participates in β ladder)trans-76.5140.5162.854.80000109.7L305 Y346T293-L305 HydrophobicContact CG2-CD1 4.08Å; T293-L305 HydrophobicContact CG2-CD2 3.85Å; T293-L305 HydrophobicContact CG2-CG 4.19Å; T293-Y346 HydrophobicContact CG2-CE1 4.11Å
294G94.3Very high92.6Very high30 Ų3069.4 Ų69.431%0.30938%0.376SS..SBendtrans78.9-166.1-176.600000113.5N345 Y346 S347G294-N345 WeakPolarHBondContact CA-O 3.35Å; G294-N345 PolarHBondContact N-O 3.22Å; G294-Y346 CarbonylContact O-C 3.58Å; G294-S347 PolarHBondContact O-N 2.92Å; G294-S347 PolarHBondContact O-OG 3.46Å
295I93.4Very high92.8Very high102 Ų10267.6 Ų67.652%0.52337%0.37SS..  trans-85.8120.9173.8-60.2169.8000107.4D297 N345 S347 V360I295-D297 PolarHBondContact O-N 3.35Å; I295-N345 HydrophobicContact CG1-CB 4.15Å; I295-S347 WeakPolarHBondContact CA-OG 3.4Å; I295-V360 HydrophobicContact CG1-CG1 4.16Å; I295-V360 HydrophobicContact CG1-CG2 4.37Å; I295-V360 HydrophobicContact CG2-CG2 4.15Å
296Y93.9Very high92.9Very high24 Ų2471.5 Ų71.59%0.09438%0.383CS..  trans-63.4132.5175.9175.6-94.5000110.5Y292 P298 N302 S347 R349 F358Y292-Y296 HydrophobicContact CD1-CD2 4.03Å; Y292-Y296 AromaticContact CD2-CD2 3.62Å; Y292-Y296 HydrophobicContact CD2-CD2 3.62Å; Y292-Y296 HydrophobicContact CD2-CE2 4.33Å; Y292-Y296 HydrophobicContact CD2-CG 4.35Å; Y292-Y296 AromaticContact CE1-CD2 3.95Å; Y292-Y296 HydrophobicContact CE1-CD2 3.95Å; Y292-Y296 AromaticContact CE1-CE2 3.99Å; Y292-Y296 HydrophobicContact CE1-CE2 3.99Å; Y292-Y296 AromaticContact CE2-CD2 3.57Å; Y292-Y296 HydrophobicContact CE2-CD2 3.57Å; Y292-Y296 AromaticContact CE2-CE2 3.81Å; Y292-Y296 HydrophobicContact CE2-CE2 3.81Å; Y292-Y296 AromaticContact CG-CD2 3.86Å; Y292-Y296 HydrophobicContact CG-CD2 3.86Å; Y292-Y296 AromaticContact CZ-CD2 3.73Å; Y292-Y296 AromaticContact CZ-CE2 3.61Å; Y296-P298 HydrophobicContact CE1-CB 4.47Å; Y296-P298 HydrophobicContact CE1-CG 3.92Å; Y296-N302 HydrophobicContact CD2-CB 4.2Å; Y296-N302 HydrophobicContact CE2-CB 4.38Å; Y296-S347 PolarHBondContact N-OG 3.13Å; Y296-R349 VanDerWaalsContact CE1-CD 3.46Å; Y296-R349 PolarHBondContact OH-NE 2.8Å; Y296-R349 VanDerWaalsContact OH-NE 3.13Å; Y296-F358 AromaticContact CD1-CD1 3.85Å; Y296-F358 HydrophobicContact CD1-CD1 3.85Å; Y296-F358 HydrophobicContact CD1-CE1 4.03Å; Y296-F358 HydrophobicContact CD1-CG 4.16Å; Y296-F358 HydrophobicContact CD1-CZ 4.47Å; Y296-F358 WeakPolarHBondContact O-CZ 3.49Å
297D91.8Very high93.2Very high59 Ų5971.9 Ų71.932%0.31639%0.385SS..  trans-131.1116.5176.8175.4-3.2000110.4I295 I299 T300 N302I295-D297 PolarHBondContact O-N 3.35Å; D297-I299 PolarHBondContact O-N 2.79Å; D297-I299 WeakPolarHBondContact OD1-CB 3.41Å; D297-I299 PolarHBondContact OD1-N 3.44Å; D297-T300 HydrophobicContact CB-CG2 4.1Å; D297-T300 WeakPolarHBondContact CB-OG1 3.33Å; D297-T300 PolarHBondContact O-N 2.81Å; D297-T300 VanDerWaalsContact O-N 3.11Å; D297-T300 PolarHBondContact O-OG1 3.35Å; D297-T300 VanDerWaalsContact O-OG1 3.12Å; D297-T300 WeakPolarHBondContact OD2-CG2 3.5Å; D297-N302 PolarHBondContact N-ND2 3.05Å; D297-N302 PolarHBondContact O-ND2 3.31Å
298P86.7Confident93.3Very high99 Ų9975 Ų7564%0.64340%0.401SS*.THydrogen-bonded Turntrans-54.3-21.4179.3-22.130.1000115.7Y296Y296-P298 HydrophobicContact CE1-CB 4.47Å; Y296-P298 HydrophobicContact CE1-CG 3.92Å
299I89.1Confident93.2Very high155 Ų15576.2 Ų76.280%0.79541%0.408SS*.THydrogen-bonded Turntrans-88-30.4-176.8-56.8170.6000111D297D297-I299 PolarHBondContact O-N 2.79Å; D297-I299 WeakPolarHBondContact OD1-CB 3.41Å; D297-I299 PolarHBondContact OD1-N 3.44Å
300T89.8Confident93.1Very high67 Ų6777.8 Ų77.841%0.41141%0.411SS..SBendtrans-85.5151.7-178.462.10000111.1D297 N302D297-T300 HydrophobicContact CB-CG2 4.1Å; D297-T300 WeakPolarHBondContact CB-OG1 3.33Å; D297-T300 PolarHBondContact O-N 2.81Å; D297-T300 VanDerWaalsContact O-N 3.11Å; D297-T300 PolarHBondContact O-OG1 3.35Å; D297-T300 VanDerWaalsContact O-OG1 3.12Å; D297-T300 WeakPolarHBondContact OD2-CG2 3.5Å; T300-N302 PolarHBondContact O-N 2.85Å; T300-N302 PolarHBondContact O-ND2 3.24Å; T300-N302 PolarHBondContact OG1-ND2 3.12Å; T300-N302 PolarHBondContact OG1-OD1 3.22Å
301N84.6Confident93.1Very high173 Ų17376.5 Ų76.593%0.92540%0.402SS*.  trans-7665.2173.4-168.932.2000110.8K303N301-K303 PolarHBondContact O-N 2.89Å
302N90.7Very high93Very high38 Ų3880 Ų8020%0.20342%0.419CS..PPolyproline II helixtrans-63.8131.3177.6-59-64.9000110Y292 Y296 D297 T300Y292-N302 HydrophobicContact CD1-CB 3.52Å; Y292-N302 HydrophobicContact CE1-CB 3.67Å; Y292-N302 HydrophobicContact CG-CB 4.48Å; Y296-N302 HydrophobicContact CD2-CB 4.2Å; Y296-N302 HydrophobicContact CE2-CB 4.38Å; D297-N302 PolarHBondContact N-ND2 3.05Å; D297-N302 PolarHBondContact O-ND2 3.31Å; T300-N302 PolarHBondContact O-N 2.85Å; T300-N302 PolarHBondContact O-ND2 3.24Å; T300-N302 PolarHBondContact OG1-ND2 3.12Å; T300-N302 PolarHBondContact OG1-OD1 3.22Å
303K92.7Very high92.9Very high168 Ų16881.4 Ų81.473%0.7343%0.427SS*.PPolyproline II helixtrans-92.5122.9174.4-171.1-179.9177.5-176.50109.7N301N301-K303 PolarHBondContact O-N 2.89Å
304P95.1Very high92.9Very high31 Ų3183.7 Ų83.720%0.20143%0.432CS..EExtended strand (participates in β ladder)trans-69.5152.8175.826-31.1000111.8L290 W291 Y292 F306L290-P304 HydrophobicContact CD2-CB 4.34Å; W291-P304 CarbonylContact O-C 3.57Å; W291-P304 VanDerWaalsContact O-CA 3.3Å; W291-P304 WeakPolarHBondContact O-CA 3.27Å; Y292-P304 HydrophobicContact CD1-CB 4.28Å; Y292-P304 HydrophobicContact CE1-CB 3.82Å; Y292-P304 HydrophobicContact CE1-CG 4.34Å; P304-F306 HydrophobicContact CB-CE2 4.34Å; P304-F306 HydrophobicContact CB-CZ 4.25Å; P304-F306 HydrophobicContact CG-CE1 4.39Å; P304-F306 HydrophobicContact CG-CE2 3.71Å; P304-F306 HydrophobicContact CG-CZ 3.53Å; P304-F306 WeakPolarHBondContact O-CD2 3.32Å; P304-F306 WeakPolarHBondContact O-CE2 3.47Å
305L96Very high92.8Very high18 Ų1889.9 Ų89.99%0.09445%0.451CS..EExtended strand (participates in β ladder)trans-77.5144.8168.4-68.9175.4000109.8W291 T293 Y311 L333 Y346W291-L305 HydrophobicContact CB-CB 4.12Å; W291-L305 HydrophobicContact CB-CD1 4.27Å; W291-L305 PolarHBondContact O-N 2.61Å; T293-L305 HydrophobicContact CG2-CD1 4.08Å; T293-L305 HydrophobicContact CG2-CD2 3.85Å; T293-L305 HydrophobicContact CG2-CG 4.19Å; L305-Y311 HydrophobicContact CD2-CD2 3.82Å; L305-Y311 HydrophobicContact CD2-CE2 3.68Å; L305-Y311 HydrophobicContact CD2-CG 4.45Å; L305-L333 HydrophobicContact CD1-CD1 4.34Å; L305-L333 HydrophobicContact CD1-CD2 3.64Å; L305-Y346 HydrophobicContact CD1-CD1 4.08Å; L305-Y346 HydrophobicContact CD1-CE1 4.2Å
306F95.3Very high92.5Very high122 Ų12287.2 Ų87.254%0.53544%0.444SS..  trans-136.8156.3179.4-62.4-78.9000109.8P304 N308P304-F306 HydrophobicContact CB-CE2 4.34Å; P304-F306 HydrophobicContact CB-CZ 4.25Å; P304-F306 HydrophobicContact CG-CE1 4.39Å; P304-F306 HydrophobicContact CG-CE2 3.71Å; P304-F306 HydrophobicContact CG-CZ 3.53Å; P304-F306 WeakPolarHBondContact O-CD2 3.32Å; P304-F306 WeakPolarHBondContact O-CE2 3.47Å; F306-N308 PolarHBondContact O-N 3.22Å; F306-N308 PolarHBondContact O-ND2 2.81Å; F306-N308 VanDerWaalsContact O-ND2 3.15Å
307D95.6Very high92.1Very high105 Ų10592 Ų9256%0.56147%0.467SS*.  trans-52.2130.8175.1-73.2-63.1000111.9Y311 E312 L313D307-Y311 CarbonylContact C-O 3.58Å; D307-Y311 WeakPolarHBondContact CA-O 3.45Å; D307-E312 VanDerWaalsContact OD1-CA 3.26Å; D307-E312 WeakPolarHBondContact OD1-CA 3.38Å; D307-L313 PolarHBondContact OD1-N 2.9Å
308N95.8Very high91.4Very high80 Ų8090.8 Ų90.843%0.42846%0.463SS..SBendtrans-160.3-165.2173.461.654.7000110.7F306 R310 Y311F306-N308 PolarHBondContact O-N 3.22Å; F306-N308 PolarHBondContact O-ND2 2.81Å; F306-N308 VanDerWaalsContact O-ND2 3.15Å; N308-R310 PolarHBondContact O-N 2.83Å; N308-R310 WeakPolarHBondContact OD1-CA 3.34Å; N308-R310 WeakPolarHBondContact OD1-CB 3.48Å; N308-R310 PolarHBondContact OD1-N 2.94Å; N308-Y311 PolarHBondContact N-O 3.36Å; N308-Y311 PolarHBondContact OD1-N 2.77Å
309N93.4Very high90.6Very high147 Ų14797.8 Ų97.879%0.78648%0.479SS*.SBendtrans-64.7-23.3-179.6-65.9-13.8000113.4R336N309-R336 PolarHBondContact O-NH1 3.07Å
310R92Very high89.3Confident67 Ų6791.4 Ų91.425%0.25345%0.451SS..SBendtrans-103.7-41.2-176.8-65.7-114.7-64.1142.82.9113.6N308 R336 D342N308-R310 PolarHBondContact O-N 2.83Å; N308-R310 WeakPolarHBondContact OD1-CA 3.34Å; N308-R310 WeakPolarHBondContact OD1-CB 3.48Å; N308-R310 PolarHBondContact OD1-N 2.94Å; R310-R336 PolarHBondContact O-N 3.12Å; R310-D342 IonicContact CZ-OD1 3.81Å; R310-D342 IonicContact CZ-OD2 3.7Å; R310-D342 IonicContact NH1-OD1 3.89Å; R310-D342 PolarHBondContact NH1-OD1 3.05Å; R310-D342 IonicContact NH1-OD2 2.89Å; R310-D342 PolarHBondContact NH1-OD2 3.41Å; R310-D342 IonicContact NH2-OD1 2.69Å; R310-D342 PolarHBondContact NH2-OD1 3.49Å; R310-D342 IonicContact NH2-OD2 3.57Å
311Y96.1Very high87.9Confident30 Ų3091.2 Ų91.212%0.11845%0.453CS..EExtended strand (participates in β ladder)trans-109133.9-179.1-58.2-60.5000110.1L305 D307 N308 L333 L334 I335L305-Y311 HydrophobicContact CD2-CD2 3.82Å; L305-Y311 HydrophobicContact CD2-CE2 3.68Å; L305-Y311 HydrophobicContact CD2-CG 4.45Å; D307-Y311 CarbonylContact C-O 3.58Å; D307-Y311 WeakPolarHBondContact CA-O 3.45Å; N308-Y311 PolarHBondContact N-O 3.36Å; N308-Y311 PolarHBondContact OD1-N 2.77Å; Y311-L333 HydrophobicContact CD1-CD1 4.13Å; Y311-L333 HydrophobicContact CG-CD1 4.39Å; Y311-L334 WeakPolarHBondContact CA-O 3.5Å; Y311-I335 HydrophobicContact CD1-CB 4.46Å; Y311-I335 HydrophobicContact CD1-CG1 3.99Å; Y311-I335 HydrophobicContact CD1-CG2 4.36Å; Y311-I335 HydrophobicContact CE1-CB 4.43Å; Y311-I335 HydrophobicContact CE1-CG1 3.98Å; Y311-I335 HydrophobicContact CE1-CG2 3.95Å
312E95.8Very high86.7Confident76 Ų7687.7 Ų87.736%0.35545%0.447SS..EExtended strand (participates in β ladder)trans-127.4126.8171.9170.5174-170.100108.8D307 L334 R336D307-E312 VanDerWaalsContact OD1-CA 3.26Å; D307-E312 WeakPolarHBondContact OD1-CA 3.38Å; E312-L334 HydrophobicContact CB-CB 4.09Å; E312-L334 HydrophobicContact CB-CD2 4.23Å; E312-L334 PolarHBondContact N-O 2.81Å; E312-L334 PolarHBondContact O-N 2.94Å; E312-L334 WeakPolarHBondContact OE2-CD2 3.4Å; E312-R336 IonicContact OE2-CZ 3.54Å; E312-R336 IonicContact OE2-NE 3.79Å; E312-R336 IonicContact OE2-NH2 2.65Å; E312-R336 PolarHBondContact OE2-NH2 3.29Å
313L95.3Very high85.3Confident43 Ų4387.6 Ų87.623%0.22546%0.455CS..EExtended strand (participates in β ladder)trans-112123.8-175.5-70.775.2000108.8W291 D307 T332 L333W291-L313 HydrophobicContact CB-CD2 4.36Å; W291-L313 HydrophobicContact CG-CD2 4.44Å; D307-L313 PolarHBondContact OD1-N 2.9Å; L313-T332 WeakPolarHBondContact CA-O 3.5Å; L313-L333 HydrophobicContact CD1-CD1 3.86Å; L313-L333 HydrophobicContact CG-CD1 4.04Å
314E93.1Very high84.2Confident123 Ų12380.5 Ų80.558%0.57543%0.426SS*.EExtended strand (participates in β ladder)trans-127.2150.4177.8173.6-178.4-158.300110.2T332E314-T332 VanDerWaalsContact CB-OG1 3.31Å; E314-T332 WeakPolarHBondContact CB-OG1 3.45Å; E314-T332 PolarHBondContact N-O 2.84Å; E314-T332 PolarHBondContact O-N 2.9Å; E314-T332 PolarHBondContact O-OG1 3.32Å
315K91.7Very high83.2Confident160 Ų16081.6 Ų81.670%0.69643%0.43SS*.EExtended strand (participates in β ladder)trans-129.2129.4171.966.6-176.4-178-179.60109.9L289 V329 F330L289-K315 HydrophobicContact CD1-CB 4.33Å; K315-V329 HydrophobicContact CB-CG1 4.34Å; K315-F330 CarbonylContact C-O 3.55Å; K315-F330 VanDerWaalsContact CA-O 3.31Å; K315-F330 WeakPolarHBondContact CA-O 3.49Å
316A88.9Confident82.4Confident46 Ų4681.1 Ų81.138%0.3843%0.428SS..EExtended strand (participates in β ladder)trans-123.1130.7176.300000110V329 F330A316-V329 WeakPolarHBondContact O-CA 3.23Å; A316-F330 HydrophobicContact CB-CB 4.47Å; A316-F330 PolarHBondContact N-O 3.06Å; A316-F330 PolarHBondContact O-N 3.36Å
317Q84.5Confident81.9Confident125 Ų12576.7 Ų76.758%0.58441%0.411SS*.EExtended strand (participates in β ladder)trans-87.2133.6173.7-63-171.91.800109.9V329Q317-V329 HydrophobicContact CG-CG2 4.29Å
318S78.1Confident81.5Confident33 Ų3372.4 Ų72.423%0.23139%0.388CS..  trans-64.5149.1166-174.60000110.1G320 D328S318-G320 PolarHBondContact O-N 2.88Å; S318-G320 PolarHBondContact OG-N 3.42Å; S318-D328 WeakPolarHBondContact CB-O 3.43Å; S318-D328 PolarHBondContact N-O 2.85Å
319Y68.4Low81.3Confident247 Ų24769.2 Ų69.297%0.96937%0.371SS*.  trans-64.3-0.7166-66.8-81.1000113.1
320G62.3Low81.2Confident20 Ų2065.1 Ų65.121%0.20635%0.346CS..  trans92.4151.5-175.600000111.1S318S318-G320 PolarHBondContact O-N 2.88Å; S318-G320 PolarHBondContact OG-N 3.42Å
321S60.4Low81.3Confident64 Ų6462.1 Ų62.145%0.44834%0.336SS..SBendtrans-66139.4171-72.30000109.5G323 T324S321-G323 PolarHBondContact O-N 2.8Å; S321-T324 WeakPolarHBondContact CB-OG1 3.36Å; S321-T324 PolarHBondContact O-N 2.91Å; S321-T324 PolarHBondContact O-OG1 2.75Å
322A60.3Low81.2Confident99 Ų9961.8 Ų61.882%0.81834%0.337SS*.THydrogen-bonded Turntrans-47.9108.1-17400000112.5R201R201-A322 PolarHBondContact NH2-O 3.36Å
323G61.3Low81.1Confident35 Ų3558.2 Ų58.236%0.36132%0.32SS..THydrogen-bonded Turntrans87.80.1178.800000116.6N199 R201 S321N199-G323 PolarHBondContact ND2-O 2.77Å; R201-G323 WeakPolarHBondContact CD-O 3.31Å; R201-G323 VanDerWaalsContact NE-C 3.28Å; R201-G323 PolarHBondContact NE-O 2.85Å; R201-G323 PolarHBondContact NH1-O 3.17Å; S321-G323 PolarHBondContact O-N 2.8Å
324T68.7Low81Confident19 Ų1957.5 Ų57.512%0.11732%0.316CS..  trans-99.3146.6167.455.50000110.4Y225 S321 V326Y225-T324 HydrophobicContact CD1-CG2 3.89Å; Y225-T324 HydrophobicContact CE1-CG2 4.44Å; S321-T324 WeakPolarHBondContact CB-OG1 3.36Å; S321-T324 PolarHBondContact O-N 2.91Å; S321-T324 PolarHBondContact O-OG1 2.75Å; T324-V326 PolarHBondContact O-N 3.34Å
325N73.5Confident81.1Confident55 Ų5551.6 Ų51.629%0.29429%0.289SS..  trans-84.314.4163.1-69.410.6000112.1R227 G228 T327R227-N325 HydrophobicContact CB-CB 4.34Å; R227-N325 HydrophobicContact CG-CB 3.95Å; R227-N325 PolarHBondContact NH1-O 3.25Å; G228-N325 WeakPolarHBondContact CA-ND2 3.39Å; N325-T327 PolarHBondContact O-N 3.43Å
326V79.9Confident81.1Confident8 Ų848.1 Ų48.15%0.04827%0.272CS..  trans-83.8114.3176.5-179.90000107.2R224 Y225 N282 T324R224-V326 HydrophobicContact CG-CG2 4.38Å; R224-V326 WeakPolarHBondContact O-CG2 3.48Å; Y225-V326 HydrophobicContact CD1-CG2 3.71Å; Y225-V326 HydrophobicContact CE1-CG2 4.09Å; N282-V326 WeakPolarHBondContact ND2-CG1 3.32Å; T324-V326 PolarHBondContact O-N 3.34Å
327T84.1Confident81.1Confident29 Ų2948.4 Ų48.418%0.17827%0.267CS..  trans-94.8126.5177.845.70000109.2N282 N325N282-T327 PolarHBondContact ND2-O 3.41Å; N325-T327 PolarHBondContact O-N 3.43Å
328D88.4Confident81.3Confident15 Ų1542.5 Ų42.58%0.0824%0.239CC..  trans-87.3135.5165.8-73.2-35000108.3R257 I280 S318R257-D328 IonicContact CZ-OD1 2.67Å; R257-D328 IonicContact CZ-OD2 3.57Å; R257-D328 IonicContact NH2-OD1 3.52Å; R257-D328 PolarHBondContact NH2-OD1 3.05Å; R257-D328 IonicContact NH2-OD2 2.79Å; R257-D328 PolarHBondContact NH2-OD2 2.87Å; I280-D328 HydrophobicContact CG2-CB 3.82Å; S318-D328 WeakPolarHBondContact CB-O 3.43Å; S318-D328 PolarHBondContact N-O 2.85Å
329V90.7Very high81.9Confident12 Ų1246.8 Ų46.87%0.07325%0.25CS..EExtended strand (participates in β ladder)trans-108.1124.3170.8-173.60000108V281 L289 K315 A316 Q317V281-V329 PolarHBondContact N-O 3.42Å; V281-V329 PolarHBondContact O-N 3.12Å; L289-V329 HydrophobicContact CD1-CG1 3.82Å; K315-V329 HydrophobicContact CB-CG1 4.34Å; A316-V329 WeakPolarHBondContact O-CA 3.23Å; Q317-V329 HydrophobicContact CG-CG2 4.29Å
330F91Very high82.8Confident61 Ų6139.5 Ų39.527%0.26823%0.231SC..EExtended strand (participates in β ladder)trans-90.1115.8173.3-59-90.3000108E278 I280 K315 A316E278-F330 WeakPolarHBondContact OE1-CD1 3.4Å; I280-F330 HydrophobicContact CD1-CD1 4.28Å; I280-F330 HydrophobicContact CD1-CE1 3.8Å; I280-F330 HydrophobicContact CG1-CD1 3.78Å; I280-F330 HydrophobicContact CG1-CE1 3.8Å; I280-F330 HydrophobicContact CG2-CE1 4.45Å; K315-F330 CarbonylContact C-O 3.55Å; K315-F330 VanDerWaalsContact CA-O 3.31Å; K315-F330 WeakPolarHBondContact CA-O 3.49Å; A316-F330 HydrophobicContact CB-CB 4.47Å; A316-F330 PolarHBondContact N-O 3.06Å; A316-F330 PolarHBondContact O-N 3.36Å
331S94.3Very high84.2Confident4 Ų442.2 Ų42.23%0.02826%0.259CS..EExtended strand (participates in β ladder)trans-99.1125.8172.3-166.90000108.1E278 C279 W291E278-S331 WeakPolarHBondContact CA-O 3.27Å; C279-S331 PolarHBondContact N-O 3.31Å; C279-S331 PolarHBondContact O-N 3.24Å; W291-S331 WeakPolarHBondContact CZ2-O 3.41Å; W291-S331 PolarHBondContact NE1-OG 2.74Å
332T93.4Very high85.7Confident24 Ų2439.5 Ų39.515%0.14724%0.239CC..EExtended strand (participates in β ladder)trans-119.6137.8179.947.50000110.6T276 L277 E278 L313 E314T276-T332 HydrophobicContact CG2-CG2 4.01Å; L277-T332 CarbonylContact O-C 3.57Å; L277-T332 VanDerWaalsContact O-CA 3.31Å; L277-T332 WeakPolarHBondContact O-CA 3.32Å; E278-T332 HydrophobicContact CB-CG2 4.3Å; E278-T332 HydrophobicContact CG-CG2 3.96Å; L313-T332 WeakPolarHBondContact CA-O 3.5Å; E314-T332 VanDerWaalsContact CB-OG1 3.31Å; E314-T332 WeakPolarHBondContact CB-OG1 3.45Å; E314-T332 PolarHBondContact N-O 2.84Å; E314-T332 PolarHBondContact O-N 2.9Å; E314-T332 PolarHBondContact O-OG1 3.32Å
333L95.3Very high87.2Confident0 Ų037 Ų370%021%0.209CC..EExtended strand (participates in β ladder)trans-119.2108.6169.3171.767.1000108T276 L277 W291 L305 Y311 L313 I335 Y346T276-L333 WeakPolarHBondContact CA-O 3.45Å; L277-L333 HydrophobicContact CB-CB 4.36Å; L277-L333 HydrophobicContact CD1-CD2 4.33Å; L277-L333 PolarHBondContact N-O 2.79Å; L277-L333 PolarHBondContact O-N 2.92Å; W291-L333 HydrophobicContact CB-CD2 4.28Å; W291-L333 HydrophobicContact CD2-CB 3.68Å; W291-L333 HydrophobicContact CD2-CD2 4.04Å; W291-L333 HydrophobicContact CD2-CG 4.43Å; W291-L333 HydrophobicContact CE3-CB 4.03Å; W291-L333 HydrophobicContact CE3-CD2 3.84Å; W291-L333 HydrophobicContact CG-CB 4.06Å; W291-L333 HydrophobicContact CG-CD2 4.25Å; W291-L333 HydrophobicContact CH2-CB 4.26Å; W291-L333 HydrophobicContact CZ2-CB 3.95Å; W291-L333 HydrophobicContact CZ3-CB 4.3Å; W291-L333 HydrophobicContact CZ3-CD2 4.44Å; L305-L333 HydrophobicContact CD1-CD1 4.34Å; L305-L333 HydrophobicContact CD1-CD2 3.64Å; Y311-L333 HydrophobicContact CD1-CD1 4.13Å; Y311-L333 HydrophobicContact CG-CD1 4.39Å; L313-L333 HydrophobicContact CD1-CD1 3.86Å; L313-L333 HydrophobicContact CG-CD1 4.04Å; L333-I335 HydrophobicContact CD2-CD1 4.49Å; L333-I335 HydrophobicContact CD2-CG1 4.4Å; L333-I335 HydrophobicContact CG-CG1 4.18Å; L333-Y346 HydrophobicContact CD2-CD1 3.93Å; L333-Y346 HydrophobicContact CD2-CE1 4.38Å
334L93.5Very high88.8Confident28 Ų2836.9 Ų36.915%0.14721%0.208CC..EExtended strand (participates in β ladder)trans-85.9125.1170.6179.471.2000109.4D274 M275 Y311 E312 R336D274-L334 HydrophobicContact CB-CD1 3.87Å; M275-L334 CarbonylContact O-C 3.55Å; M275-L334 WeakPolarHBondContact O-CA 3.41Å; Y311-L334 WeakPolarHBondContact CA-O 3.5Å; E312-L334 HydrophobicContact CB-CB 4.09Å; E312-L334 HydrophobicContact CB-CD2 4.23Å; E312-L334 PolarHBondContact N-O 2.81Å; E312-L334 PolarHBondContact O-N 2.94Å; E312-L334 WeakPolarHBondContact OE2-CD2 3.4Å; L334-R336 HydrophobicContact CD2-CG 4.26Å; L334-R336 HydrophobicContact CG-CG 4.38Å
335I93.6Very high90Very high0 Ų038.9 Ų38.90%022%0.218CC..EExtended strand (participates in β ladder)trans-108.5110.6174.1-54172.9000107D274 M275 L277 Y311 L333 V338 Y346 L363D274-I335 WeakPolarHBondContact CA-O 3.35Å; M275-I335 PolarHBondContact N-O 3.39Å; M275-I335 PolarHBondContact O-N 3.08Å; L277-I335 HydrophobicContact CD1-CD1 4.04Å; L277-I335 HydrophobicContact CG-CD1 4.32Å; Y311-I335 HydrophobicContact CD1-CB 4.46Å; Y311-I335 HydrophobicContact CD1-CG1 3.99Å; Y311-I335 HydrophobicContact CD1-CG2 4.36Å; Y311-I335 HydrophobicContact CE1-CB 4.43Å; Y311-I335 HydrophobicContact CE1-CG1 3.98Å; Y311-I335 HydrophobicContact CE1-CG2 3.95Å; L333-I335 HydrophobicContact CD2-CD1 4.49Å; L333-I335 HydrophobicContact CD2-CG1 4.4Å; L333-I335 HydrophobicContact CG-CG1 4.18Å; I335-V338 HydrophobicContact CB-CG2 4.4Å; I335-V338 HydrophobicContact CG2-CG2 4.15Å; I335-Y346 HydrophobicContact CD1-CE1 3.93Å; I335-Y346 HydrophobicContact CD1-CE2 4.22Å; I335-L363 HydrophobicContact CD1-CD2 3.83Å
336R91.9Very high91.1Very high87 Ų8736.7 Ų36.733%0.32821%0.205SC..SBendtrans-80.9135.6-179.2-61.9-169.8-171.6129.1-3.9112D274 N309 R310 E312 L334D274-R336 VanDerWaalsContact OD1-CA 3.24Å; D274-R336 WeakPolarHBondContact OD1-CA 3.22Å; N309-R336 PolarHBondContact O-NH1 3.07Å; R310-R336 PolarHBondContact O-N 3.12Å; E312-R336 IonicContact OE2-CZ 3.54Å; E312-R336 IonicContact OE2-NE 3.79Å; E312-R336 IonicContact OE2-NH2 2.65Å; E312-R336 PolarHBondContact OE2-NH2 3.29Å; L334-R336 HydrophobicContact CD2-CG 4.26Å; L334-R336 HydrophobicContact CG-CG 4.38Å
337N88.9Confident91.9Very high52 Ų5236.3 Ų36.328%0.27820%0.203SC..SBendtrans48.471.8177.5-173.725.1000112.1N272 Y273 D274 R339N272-N337 PolarHBondContact N-OD1 3.33Å; Y273-N337 WeakPolarHBondContact O-CA 3.35Å; D274-N337 PolarHBondContact OD1-N 3.34Å; N337-R339 WeakPolarHBondContact O-CG 3.37Å
338V89.3Confident92.5Very high1 Ų134.9 Ų34.91%0.00619%0.194CC..  trans-58.5132.1-174.7175.60000111.9Q267 D270 Y273 M275 I335 D342 Y343 L363Q267-V338 HydrophobicContact CB-CG1 4.32Å; Q267-V338 HydrophobicContact CG-CB 4.08Å; Q267-V338 HydrophobicContact CG-CG1 4.19Å; Q267-V338 HydrophobicContact CG-CG2 4.11Å; D270-V338 PolarHBondContact N-O 2.89Å; Y273-V338 PolarHBondContact O-N 2.69Å; M275-V338 HydrophobicContact CB-CG2 3.63Å; I335-V338 HydrophobicContact CB-CG2 4.4Å; I335-V338 HydrophobicContact CG2-CG2 4.15Å; V338-D342 HydrophobicContact CG1-CB 4.33Å; V338-Y343 HydrophobicContact CG1-CE1 4.21Å; V338-L363 HydrophobicContact CG1-CD2 4.33Å
339R90.1Very high92.8Very high123 Ų12335.3 Ų35.346%0.46420%0.195SC..  trans-118.8166.6-179.3-57.7176.4-174.2175.7-2.3111.6N337 G341 D342N337-R339 WeakPolarHBondContact O-CG 3.37Å; R339-G341 PolarHBondContact O-N 2.02Å; R339-G341 VanDerWaalsContact O-N 3.14Å; R339-D342 PolarHBondContact N-OD2 2.86Å; R339-D342 WeakPolarHBondContact O-CB 3.27Å; R339-D342 PolarHBondContact O-N 2.84Å
340V88.8Confident93.1Very high94 Ų9434.7 Ų34.757%0.5719%0.191SC*.G310 helixtrans-54.6-35.4175.8-176.40000113.1P269 D342 Y343P269-V340 HydrophobicContact CB-CG2 3.94Å; V340-D342 VanDerWaalsContact C-N 3.28Å; V340-D342 PolarHBondContact O-N 2.89Å; V340-Y343 HydrophobicContact CB-CD2 4.45Å; V340-Y343 HydrophobicContact CB-CE2 4.39Å; V340-Y343 HydrophobicContact CG1-CD2 4.31Å; V340-Y343 HydrophobicContact CG2-CE2 4.45Å; V340-Y343 WeakPolarHBondContact O-CD2 3.33Å; V340-Y343 PolarHBondContact O-N 3.32Å
341G89.7Confident93.4Very high76 Ų7635.6 Ų35.678%0.78420%0.196SC*.G310 helixtrans-75.6-9.9177.100000115.3R339R339-G341 PolarHBondContact O-N 2.02Å; R339-G341 VanDerWaalsContact O-N 3.14Å
342D92.6Very high93.5Very high7 Ų736.1 Ų36.14%0.03720%0.199CC..G310 helixtrans-85.7-14.3176.6-63.6-42.7000111.7R310 V338 R339 V340 Y346 L363R310-D342 IonicContact CZ-OD1 3.81Å; R310-D342 IonicContact CZ-OD2 3.7Å; R310-D342 IonicContact NH1-OD1 3.89Å; R310-D342 PolarHBondContact NH1-OD1 3.05Å; R310-D342 IonicContact NH1-OD2 2.89Å; R310-D342 PolarHBondContact NH1-OD2 3.41Å; R310-D342 IonicContact NH2-OD1 2.69Å; R310-D342 PolarHBondContact NH2-OD1 3.49Å; R310-D342 IonicContact NH2-OD2 3.57Å; V338-D342 HydrophobicContact CG1-CB 4.33Å; R339-D342 PolarHBondContact N-OD2 2.86Å; R339-D342 WeakPolarHBondContact O-CB 3.27Å; R339-D342 PolarHBondContact O-N 2.84Å; V340-D342 VanDerWaalsContact C-N 3.28Å; V340-D342 PolarHBondContact O-N 2.89Å; D342-Y346 VanDerWaalsContact O-CE2 3.23Å; D342-Y346 WeakPolarHBondContact O-CE2 3.17Å; D342-Y346 PolarHBondContact O-OH 2.89Å; D342-L363 HydrophobicContact CB-CD2 4.47Å
343Y92.8Very high93.6Very high48 Ų4842.5 Ų42.519%0.18822%0.224CC..  trans-66.8140.2175.5-61.1-54.3000111.5Q267 P269 V338 V340 L363 F364 Y365Q267-Y343 WeakPolarHBondContact O-CE1 3.35Å; Q267-Y343 PolarHBondContact O-OH 2.92Å; P269-Y343 WeakPolarHBondContact CA-OH 3.49Å; P269-Y343 HydrophobicContact CB-CE2 4.25Å; P269-Y343 WeakPolarHBondContact CB-OH 3.3Å; P269-Y343 WeakPolarHBondContact CD-OH 3.31Å; V338-Y343 HydrophobicContact CG1-CE1 4.21Å; V340-Y343 HydrophobicContact CB-CD2 4.45Å; V340-Y343 HydrophobicContact CB-CE2 4.39Å; V340-Y343 HydrophobicContact CG1-CD2 4.31Å; V340-Y343 HydrophobicContact CG2-CE2 4.45Å; V340-Y343 WeakPolarHBondContact O-CD2 3.33Å; V340-Y343 PolarHBondContact O-N 3.32Å; Y343-L363 CarbonylContact C-O 3.54Å; Y343-L363 WeakPolarHBondContact CA-O 3.42Å; Y343-L363 HydrophobicContact CD1-CG 4.01Å; Y343-L363 HydrophobicContact CE1-CG 4.5Å; Y343-F364 VanDerWaalsContact CE1-C 3.43Å; Y343-F364 WeakPolarHBondContact CE1-O 3.18Å; Y343-Y365 HydrophobicContact CE2-CD2 4.18Å
344G93.4Very high93.5Very high32 Ų3246.3 Ų46.333%0.3324%0.24SC..EExtended strand (participates in β ladder)trans141.9-165.4-17800000111.8L363G344-L363 PolarHBondContact N-O 3.17Å; G344-L363 PolarHBondContact O-N 2.92Å
345N95.3Very high93.7Very high60 Ų6046.3 Ų46.332%0.32125%0.246SC..EExtended strand (participates in β ladder)trans-87148.3-180-66.4-26.8000110.8G294 I295 V360 L361G294-N345 WeakPolarHBondContact CA-O 3.35Å; G294-N345 PolarHBondContact N-O 3.22Å; I295-N345 HydrophobicContact CG1-CB 4.15Å; N345-V360 HydrophobicContact CB-CG1 3.74Å; N345-L361 CarbonylContact C-O 3.54Å; N345-L361 WeakPolarHBondContact CA-O 3.02Å
346Y95.6Very high93.8Very high9 Ų949.1 Ų49.14%0.03527%0.266CS..EExtended strand (participates in β ladder)trans-132.3141.1171.4-69.8-97.3000108L277 Y292 T293 G294 L305 L333 I335 D342 V360 L361 L363L277-Y346 HydrophobicContact CD1-CD1 4.12Å; L277-Y346 HydrophobicContact CD1-CD2 3.63Å; L277-Y346 HydrophobicContact CD1-CE2 4.33Å; L277-Y346 HydrophobicContact CD1-CG 3.51Å; Y292-Y346 CarbonylContact O-C 3.58Å; Y292-Y346 VanDerWaalsContact O-CA 3.29Å; Y292-Y346 WeakPolarHBondContact O-CA 3.22Å; T293-Y346 HydrophobicContact CG2-CE1 4.11Å; G294-Y346 CarbonylContact O-C 3.58Å; L305-Y346 HydrophobicContact CD1-CD1 4.08Å; L305-Y346 HydrophobicContact CD1-CE1 4.2Å; L333-Y346 HydrophobicContact CD2-CD1 3.93Å; L333-Y346 HydrophobicContact CD2-CE1 4.38Å; I335-Y346 HydrophobicContact CD1-CE1 3.93Å; I335-Y346 HydrophobicContact CD1-CE2 4.22Å; D342-Y346 VanDerWaalsContact O-CE2 3.23Å; D342-Y346 WeakPolarHBondContact O-CE2 3.17Å; D342-Y346 PolarHBondContact O-OH 2.89Å; Y346-V360 CarbonylContact O-C 3.52Å; Y346-V360 WeakPolarHBondContact O-CA 3.43Å; Y346-L361 PolarHBondContact N-O 3.27Å; Y346-L361 PolarHBondContact O-N 3.34Å; Y346-L363 HydrophobicContact CD2-CB 4.16Å; Y346-L363 HydrophobicContact CE2-CB 3.89Å; Y346-L363 HydrophobicContact CE2-CD2 4.06Å
347S96.6Very high94Very high0 Ų047.7 Ų47.70%027%0.265CS..EExtended strand (participates in β ladder)trans-113.8127.6179.4-60.30000111.1W291 Y292 G294 I295 Y296 V359W291-S347 CarbonylContact C-O 3.58Å; W291-S347 WeakPolarHBondContact CA-O 3.18Å; Y292-S347 PolarHBondContact N-O 3.47Å; Y292-S347 PolarHBondContact O-N 3.49Å; G294-S347 PolarHBondContact O-N 2.92Å; G294-S347 PolarHBondContact O-OG 3.46Å; I295-S347 WeakPolarHBondContact CA-OG 3.4Å; Y296-S347 PolarHBondContact N-OG 3.13Å; S347-V359 VanDerWaalsContact CA-O 3.29Å; S347-V359 WeakPolarHBondContact CA-O 3.4Å
348C96.5Very high94.3Very high0 Ų048.7 Ų48.70%027%0.267CS..EExtended strand (participates in β ladder)trans-98.6112.8169.9-165.50000108.3C279 W291 F358 V359C279-C348 HydrophobicContact CB-CB 3.38Å; C279-C348 WeakPolarHBondContact CB-SG 3.11Å; C279-C348 WeakPolarHBondContact SG-CB 3.48Å; C279-C348 CovalentContact SG-SG 2.04Å; C279-C348 PolarHBondContact SG-SG 3.47Å; W291-C348 HydrophobicContact CD2-CB 4.22Å; W291-C348 HydrophobicContact CE3-CB 3.95Å; W291-C348 HydrophobicContact CH2-CB 3.72Å; W291-C348 HydrophobicContact CZ2-CB 3.98Å; W291-C348 VanDerWaalsContact CZ2-SG 3.5Å; W291-C348 HydrophobicContact CZ3-CB 3.69Å; C348-F358 CarbonylContact O-C 3.23Å; C348-F358 WeakPolarHBondContact O-CA 3.41Å; C348-F358 VanDerWaalsContact O-CB 3.31Å; C348-F358 WeakPolarHBondContact O-CB 3.47Å; C348-V359 HydrophobicContact CB-CG2 4.03Å; C348-V359 PolarHBondContact N-O 3.18Å; C348-V359 PolarHBondContact O-N 3.04Å
349R96.5Very high94.6Very high23 Ų2349.5 Ų49.59%0.08727%0.272CS..EExtended strand (participates in β ladder)trans-110.2139.4-177.9-178.2175.9-177.6-109.5-2.8110.7L289 L290 Y292 Y296 E351 S356 F358L289-R349 WeakPolarHBondContact CA-O 3.22Å; L290-R349 PolarHBondContact N-O 3.42Å; L290-R349 PolarHBondContact O-N 3.21Å; Y292-R349 HydrophobicContact CD2-CB 4.31Å; Y292-R349 HydrophobicContact CE2-CB 3.92Å; Y296-R349 VanDerWaalsContact CE1-CD 3.46Å; Y296-R349 PolarHBondContact OH-NE 2.8Å; Y296-R349 VanDerWaalsContact OH-NE 3.13Å; R349-E351 IonicContact CZ-OE2 3.46Å; R349-E351 IonicContact NH1-OE2 3.53Å; R349-E351 PolarHBondContact NH1-OE2 3.32Å; R349-E351 VanDerWaalsContact NH2-CD 3.27Å; R349-E351 IonicContact NH2-OE1 2.85Å; R349-E351 IonicContact NH2-OE2 3.5Å; R349-E351 PolarHBondContact NH2-OE2 3.39Å; R349-S356 PolarHBondContact NH2-OG 3.08Å; R349-F358 HydrophobicContact CB-CB 3.96Å; R349-F358 HydrophobicContact CG-CB 4.23Å
350A96.7Very high94.9Very high0 Ų045.9 Ų45.90%026%0.263CS..EExtended strand (participates in β ladder)trans-124.2138171.800000110.5P254 V256 V281 P287 D288 L289 S356 N357P254-A350 HydrophobicContact CB-CB 3.71Å; P254-A350 HydrophobicContact CG-CB 4.14Å; P254-A350 WeakPolarHBondContact CG-O 2.96Å; V256-A350 HydrophobicContact CG2-CB 3.54Å; V281-A350 HydrophobicContact CG1-CB 3.5Å; V281-A350 HydrophobicContact CG2-CB 4.17Å; P287-A350 HydrophobicContact CB-CB 4.11Å; P287-A350 HydrophobicContact CG-CB 4.32Å; D288-A350 CarbonylContact O-C 3.57Å; D288-A350 VanDerWaalsContact O-CA 3.29Å; D288-A350 WeakPolarHBondContact O-CA 3.48Å; L289-A350 HydrophobicContact CD2-CB 3.68Å; A350-S356 CarbonylContact O-C 3.55Å; A350-S356 VanDerWaalsContact O-CA 3.22Å; A350-S356 WeakPolarHBondContact O-CA 3.06Å; A350-S356 WeakPolarHBondContact O-CB 3.44Å; A350-N357 PolarHBondContact N-O 3.3Å; A350-N357 PolarHBondContact O-N 2.95Å
351E95.7Very high95.1Very high79 Ų7941.4 Ų41.437%0.36924%0.236SC..EExtended strand (participates in β ladder)trans-140136.8179.7178.7167.8-158.700111.6P287 D288 R349P287-E351 CarbonylContact C-O 3.53Å; P287-E351 WeakPolarHBondContact CA-O 3.4Å; P287-E351 WeakPolarHBondContact CB-O 3.21Å; D288-E351 PolarHBondContact N-O 3.12Å; D288-E351 PolarHBondContact O-N 2.74Å; R349-E351 IonicContact CZ-OE2 3.46Å; R349-E351 IonicContact NH1-OE2 3.53Å; R349-E351 PolarHBondContact NH1-OE2 3.32Å; R349-E351 VanDerWaalsContact NH2-CD 3.27Å; R349-E351 IonicContact NH2-OE1 2.85Å; R349-E351 IonicContact NH2-OE2 3.5Å; R349-E351 PolarHBondContact NH2-OE2 3.39Å
352N96.2Very high95.3Very high16 Ų1639.8 Ų39.89%0.08621%0.213CC..EExtended strand (participates in β ladder)trans-137.9179164.471.815.2000109.6Y252 P254 P285 P287 Y354 G355Y252-N352 PolarHBondContact O-ND2 2.9Å; P254-N352 WeakPolarHBondContact CD-OD1 3.34Å; P285-N352 PolarHBondContact O-ND2 2.83Å; P285-N352 VanDerWaalsContact O-ND2 3.13Å; P287-N352 HydrophobicContact CB-CB 4.24Å; N352-Y354 PolarHBondContact O-N 2.96Å; N352-Y354 WeakPolarHBondContact OD1-CA 3.48Å; N352-Y354 WeakPolarHBondContact OD1-CB 3.43Å; N352-Y354 PolarHBondContact OD1-N 2.82Å; N352-G355 PolarHBondContact N-O 3.37Å; N352-G355 PolarHBondContact O-N 2.92Å; N352-G355 PolarHBondContact OD1-N 3.04Å
353K95.6Very high95.2Very high157 Ų15739.5 Ų39.568%0.68321%0.211SC*.THydrogen-bonded Turntrans-58.9-10-179.568.7-177.4-178177.10115.5
354Y95Very high95.1Very high81 Ų8141.2 Ų41.232%0.31822%0.219SC..THydrogen-bonded Turntrans-104.5-9.3179.3-61.9-77.1000113.6T174 N251 P285 N352T174-Y354 HydrophobicContact CG2-CD1 4.04Å; T174-Y354 HydrophobicContact CG2-CE1 3.99Å; N251-Y354 HydrophobicContact CB-CD2 4.01Å; N251-Y354 HydrophobicContact CB-CE1 4.09Å; N251-Y354 HydrophobicContact CB-CE2 3.36Å; N251-Y354 VanDerWaalsContact CB-CZ 3.41Å; N251-Y354 VanDerWaalsContact CG-OH 3.25Å; N251-Y354 PolarHBondContact ND2-OH 3.44Å; P285-Y354 HydrophobicContact CG-CE2 4.5Å; N352-Y354 PolarHBondContact O-N 2.96Å; N352-Y354 WeakPolarHBondContact OD1-CA 3.48Å; N352-Y354 WeakPolarHBondContact OD1-CB 3.43Å; N352-Y354 PolarHBondContact OD1-N 2.82Å
355G96Very high94.9Very high27 Ų2746.3 Ų46.328%0.27823%0.23SC..EExtended strand (participates in β ladder)trans157.1-177.1176.200000113.3P254 N352P254-G355 VanDerWaalsContact CD-O 3.28Å; P254-G355 WeakPolarHBondContact CD-O 3.39Å; N352-G355 PolarHBondContact N-O 3.37Å; N352-G355 PolarHBondContact O-N 2.92Å; N352-G355 PolarHBondContact OD1-N 3.04Å
356S95.9Very high94.4Very high60 Ų6045.4 Ų45.442%0.4222%0.224SC..EExtended strand (participates in β ladder)trans-138152.7175.973.20000110.8R349 A350R349-S356 PolarHBondContact NH2-OG 3.08Å; A350-S356 CarbonylContact O-C 3.55Å; A350-S356 VanDerWaalsContact O-CA 3.22Å; A350-S356 WeakPolarHBondContact O-CA 3.06Å; A350-S356 WeakPolarHBondContact O-CB 3.44Å
357N96.3Very high93.5Very high57 Ų5749.4 Ų49.431%0.30525%0.253SS..EExtended strand (participates in β ladder)trans-149.6157177.6-173.2-90.4000108.8P254 V256 A350P254-N357 WeakPolarHBondContact O-CB 3.33Å; V256-N357 WeakPolarHBondContact CB-OD1 3.46Å; V256-N357 HydrophobicContact CG2-CB 4.09Å; V256-N357 WeakPolarHBondContact CG2-O 3.38Å; V256-N357 PolarHBondContact N-OD1 3.41Å; A350-N357 PolarHBondContact N-O 3.3Å; A350-N357 PolarHBondContact O-N 2.95Å
358F95.9Very high92.4Very high73 Ų7355 Ų5532%0.3228%0.281SS..EExtended strand (participates in β ladder)trans-149.5157.7177.269.1-83.8000110.9Y296 C348 R349 V360Y296-F358 AromaticContact CD1-CD1 3.85Å; Y296-F358 HydrophobicContact CD1-CD1 3.85Å; Y296-F358 HydrophobicContact CD1-CE1 4.03Å; Y296-F358 HydrophobicContact CD1-CG 4.16Å; Y296-F358 HydrophobicContact CD1-CZ 4.47Å; Y296-F358 WeakPolarHBondContact O-CZ 3.49Å; C348-F358 CarbonylContact O-C 3.23Å; C348-F358 WeakPolarHBondContact O-CA 3.41Å; C348-F358 VanDerWaalsContact O-CB 3.31Å; C348-F358 WeakPolarHBondContact O-CB 3.47Å; R349-F358 HydrophobicContact CB-CB 3.96Å; R349-F358 HydrophobicContact CG-CB 4.23Å; F358-V360 HydrophobicContact CD2-CG2 4.2Å; F358-V360 HydrophobicContact CE2-CG2 3.96Å
359V95.7Very high91.2Very high18 Ų1855.8 Ų55.811%0.10929%0.287CS..EExtended strand (participates in β ladder)trans-121.7153.8168.1-65.90000109.8V256 E258 C279 S347 C348 L361V256-V359 HydrophobicContact CB-CG1 3.98Å; V256-V359 HydrophobicContact CG1-CB 4.17Å; V256-V359 HydrophobicContact CG1-CG1 3.79Å; V256-V359 HydrophobicContact CG1-CG2 3.53Å; V256-V359 VanDerWaalsContact O-CG1 3.31Å; V256-V359 WeakPolarHBondContact O-CG1 3.46Å; E258-V359 HydrophobicContact CG-CB 4.38Å; C279-V359 HydrophobicContact CB-CG2 3.97Å; S347-V359 VanDerWaalsContact CA-O 3.29Å; S347-V359 WeakPolarHBondContact CA-O 3.4Å; C348-V359 HydrophobicContact CB-CG2 4.03Å; C348-V359 PolarHBondContact N-O 3.18Å; C348-V359 PolarHBondContact O-N 3.04Å; V359-L361 HydrophobicContact CG2-CD2 4.2Å
360V95Very high89.8Confident46 Ų4658.3 Ų58.328%0.27930%0.3SS..EExtended strand (participates in β ladder)trans-107.5126175.7-176.60000108.5I295 N345 Y346 F358I295-V360 HydrophobicContact CG1-CG1 4.16Å; I295-V360 HydrophobicContact CG1-CG2 4.37Å; I295-V360 HydrophobicContact CG2-CG2 4.15Å; N345-V360 HydrophobicContact CB-CG1 3.74Å; Y346-V360 CarbonylContact O-C 3.52Å; Y346-V360 WeakPolarHBondContact O-CA 3.43Å; F358-V360 HydrophobicContact CD2-CG2 4.2Å; F358-V360 HydrophobicContact CE2-CG2 3.96Å
361L94.8Very high88.2Confident0 Ų061.1 Ų61.10%033%0.329CS..EExtended strand (participates in β ladder)trans-108.2138.8174.1-49179.6000108.4E258 G263 Y265 L277 W291 N345 Y346 V359E258-L361 HydrophobicContact CB-CD2 4.35Å; E258-L361 HydrophobicContact CG-CD2 3.8Å; G263-L361 CarbonylContact O-C 3.52Å; G263-L361 VanDerWaalsContact O-CA 3.26Å; G263-L361 WeakPolarHBondContact O-CA 3.41Å; Y265-L361 HydrophobicContact CD2-CB 4.34Å; Y265-L361 HydrophobicContact CE2-CB 4.11Å; Y265-L361 HydrophobicContact CE2-CD1 4.13Å; Y265-L361 HydrophobicContact CE2-CD2 4.15Å; Y265-L361 HydrophobicContact CE2-CG 4.36Å; L277-L361 HydrophobicContact CB-CD1 3.88Å; W291-L361 HydrophobicContact CH2-CD1 3.53Å; W291-L361 HydrophobicContact CZ3-CD1 3.67Å; N345-L361 CarbonylContact C-O 3.54Å; N345-L361 WeakPolarHBondContact CA-O 3.02Å; Y346-L361 PolarHBondContact N-O 3.27Å; Y346-L361 PolarHBondContact O-N 3.34Å; V359-L361 HydrophobicContact CG2-CD2 4.2Å
362S92.5Very high86.6Confident43 Ų4362.1 Ų62.130%0.30135%0.35SS..EExtended strand (participates in β ladder)trans-107.7117.4-179.7-1710000109.6G263 Y265G263-S362 PolarHBondContact O-N 3.25Å; Y265-S362 PolarHBondContact N-O 3.49Å
363L92.2Very high84.8Confident1 Ų169 Ų691%0.00538%0.377CS..EExtended strand (participates in β ladder)trans-95.7115.7169.617853.9000108.2Y265 Q267 M275 I335 V338 D342 Y343 G344 Y346Y265-L363 WeakPolarHBondContact O-CA 3.47Å; Y265-L363 WeakPolarHBondContact O-CD1 2.98Å; Q267-L363 HydrophobicContact CB-CD1 4.14Å; M275-L363 HydrophobicContact CE-CD1 4.36Å; M275-L363 HydrophobicContact CG-CD1 3.91Å; I335-L363 HydrophobicContact CD1-CD2 3.83Å; V338-L363 HydrophobicContact CG1-CD2 4.33Å; D342-L363 HydrophobicContact CB-CD2 4.47Å; Y343-L363 CarbonylContact C-O 3.54Å; Y343-L363 WeakPolarHBondContact CA-O 3.42Å; Y343-L363 HydrophobicContact CD1-CG 4.01Å; Y343-L363 HydrophobicContact CE1-CG 4.5Å; G344-L363 PolarHBondContact N-O 3.17Å; G344-L363 PolarHBondContact O-N 2.92Å; Y346-L363 HydrophobicContact CD2-CB 4.16Å; Y346-L363 HydrophobicContact CE2-CB 3.89Å; Y346-L363 HydrophobicContact CE2-CD2 4.06Å
364F90.1Very high83.2Confident83 Ų8362.9 Ų62.936%0.36435%0.353SS..EExtended strand (participates in β ladder)trans-125.8158.1-176.267.8-85000112A264 Y265 G266 Q267 Y343 Q366A264-F364 HydrophobicContact CB-CE1 3.94Å; Y265-F364 VanDerWaalsContact C-CE1 3.45Å; Y265-F364 VanDerWaalsContact O-CD1 3.29Å; Y265-F364 WeakPolarHBondContact O-CD1 3.16Å; Y265-F364 PolarHBondContact O-N 3.11Å; G266-F364 WeakPolarHBondContact CA-O 3.48Å; Q267-F364 PolarHBondContact N-O 3.15Å; Q267-F364 VanDerWaalsContact N-O 3.07Å; Y343-F364 VanDerWaalsContact CE1-C 3.43Å; Y343-F364 WeakPolarHBondContact CE1-O 3.18Å; F364-Q366 HydrophobicContact CE2-CB 4.36Å; F364-Q366 PolarHBondContact O-N 3.4Å
365Y89.2Confident81.2Confident139 Ų13962.3 Ų62.355%0.54536%0.359SS..EExtended strand (participates in β ladder)trans-64.6131.7176.5167.9-91.9000110.7P269 Y343P269-Y365 VanDerWaalsContact CD-CD2 3.42Å; P269-Y365 HydrophobicContact CG-CD2 3.66Å; P269-Y365 HydrophobicContact CG-CE2 3.46Å; P269-Y365 VanDerWaalsContact CG-CE2 3.46Å; Y343-Y365 HydrophobicContact CE2-CD2 4.18Å
366Q83.8Confident78.7Confident42 Ų4270 Ų7020%0.19639%0.39CS..  trans-137.7139.5169-169.4170.3-10.500110.3Q267 A268 F364 I368Q267-Q366 CarbonylContact C-O 3.49Å; Q267-Q366 PolarHBondContact O-N 3.42Å; A268-Q366 WeakPolarHBondContact CA-O 3.38Å; A268-Q366 WeakPolarHBondContact CB-O 3.49Å; A268-Q366 PolarHBondContact N-O 2.78Å; F364-Q366 HydrophobicContact CE2-CB 4.36Å; F364-Q366 PolarHBondContact O-N 3.4Å; Q366-I368 WeakPolarHBondContact CG-O 3.41Å; Q366-I368 PolarHBondContact O-N 2.66Å
367S76.8Confident76.1Confident92 Ų9271.8 Ų71.864%0.64339%0.394SS*.SBendtrans-67.7-22.9179.853.30000113.7
368I74.4Confident73.2Confident117 Ų11772.1 Ų72.160%0.641%0.411SS*.SBendtrans-112.7128.4179.3-54.7172.7000107.7Q366Q366-I368 WeakPolarHBondContact CG-O 3.41Å; Q366-I368 PolarHBondContact O-N 2.66Å
369C71.2Confident70.5Confident18 Ų1873.4 Ų73.412%0.12244%0.435CS..  trans-58.1135.6172.21800000110.7Q267 C374Q267-C369 PolarHBondContact OE1-SG 2.81Å; C369-C374 HydrophobicContact CB-CB 3.92Å; C369-C374 WeakPolarHBondContact CB-SG 3.23Å; C369-C374 PolarHBondContact O-SG 3.08Å; C369-C374 VanDerWaalsContact O-SG 3.34Å; C369-C374 WeakPolarHBondContact SG-CA 3.32Å; C369-C374 WeakPolarHBondContact SG-CB 3.33Å; C369-C374 CovalentContact SG-SG 2.04Å; C369-C374 PolarHBondContact SG-SG 2.96Å
370Q67.7Low67.8Low75 Ų7577.8 Ų77.835%0.3546%0.462SS..  trans-121.9135.2171.1-61.2-169-24.600111.8C374Q370-C374 VanDerWaalsContact CA-SG 3.5Å; Q370-C374 PolarHBondContact N-SG 3.15Å
371G63.2Low65.2Low59 Ų5979.2 Ų79.261%0.60847%0.474SS*.SBendtrans132.2173.5176.200000114.3Y373 C374G371-Y373 PolarHBondContact O-N 2.8Å; G371-C374 PolarHBondContact N-SG 3.14Å; G371-C374 PolarHBondContact O-N 3.29Å
372A60.9Low62.7Low100 Ų10087 Ų8783%0.82652%0.515SS*.THydrogen-bonded Turntrans-66.8-25.4-179.200000113.4
373Y58.3Low60.2Low162 Ų16291.3 Ų91.364%0.63553%0.534SS*.THydrogen-bonded Turntrans-92.23.5180-60.9-72.5000113.5G371 P375G371-Y373 PolarHBondContact O-N 2.8Å; Y373-P375 VanDerWaalsContact O-CD 3.28Å; Y373-P375 WeakPolarHBondContact O-CD 3.31Å
374C62.3Low58.1Low27 Ų2794 Ų9418%0.18256%0.557CS.*SBendtrans-66.8121.2166.4-63.50000107.4C369 Q370 G371 M376C369-C374 HydrophobicContact CB-CB 3.92Å; C369-C374 WeakPolarHBondContact CB-SG 3.23Å; C369-C374 PolarHBondContact O-SG 3.08Å; C369-C374 VanDerWaalsContact O-SG 3.34Å; C369-C374 WeakPolarHBondContact SG-CA 3.32Å; C369-C374 WeakPolarHBondContact SG-CB 3.33Å; C369-C374 CovalentContact SG-SG 2.04Å; C369-C374 PolarHBondContact SG-SG 2.96Å; Q370-C374 VanDerWaalsContact CA-SG 3.5Å; Q370-C374 PolarHBondContact N-SG 3.15Å; G371-C374 PolarHBondContact N-SG 3.14Å; G371-C374 PolarHBondContact O-N 3.29Å; C374-M376 PolarHBondContact O-N 3.4Å
375P53.3Low55.9Low69 Ų69100.1 Ų100.145%0.44858%0.577SS.*  trans-52.9134.9161.722.6-27.6000105.6Y273 Y373 L377Y273-P375 VanDerWaalsContact CE1-CD 3.47Å; Y273-P375 HydrophobicContact CE1-CG 3.71Å; Y373-P375 VanDerWaalsContact O-CD 3.28Å; Y373-P375 WeakPolarHBondContact O-CD 3.31Å; P375-L377 HydrophobicContact CG-CD2 4.5Å; P375-L377 HydrophobicContact CG-CG 4.24Å; P375-L377 PolarHBondContact O-N 3.22Å
376M42.5Very low54.2Low190 Ų19097.7 Ų97.794%0.93658%0.577SS**  trans-56.285.4162.3-67.7-83-103.600105.3C374 G378C374-M376 PolarHBondContact O-N 3.4Å; M376-G378 PolarHBondContact O-N 3.13Å
377L42.3Very low52.6Low97 Ų9799.4 Ų99.451%0.50859%0.587SS.*  trans-67.883.8167.3-74.6170000102.8P375 A379 V380P375-L377 HydrophobicContact CG-CD2 4.5Å; P375-L377 HydrophobicContact CG-CG 4.24Å; P375-L377 PolarHBondContact O-N 3.22Å; L377-A379 VanDerWaalsContact C-N 3.33Å; L377-A379 PolarHBondContact O-N 3.01Å; L377-V380 HydrophobicContact CB-CG2 4.25Å; L377-V380 HydrophobicContact CD2-CG2 3.86Å
378G35Very low52Low64 Ų64105.3 Ų105.366%0.6661%0.605SS**  trans-51.5108.1165.500000105.6M376 V380M376-G378 PolarHBondContact O-N 3.13Å; G378-V380 VanDerWaalsContact C-N 3.28Å; G378-V380 PolarHBondContact O-N 2.96Å
379A39.8Very low51.5Low99 Ų99105.6 Ų105.682%0.81861%0.607SS**  trans29.661.8166.700000113.2L377 S381L377-A379 VanDerWaalsContact C-N 3.33Å; L377-A379 PolarHBondContact O-N 3.01Å; A379-S381 VanDerWaalsContact C-N 3.3Å; A379-S381 PolarHBondContact O-N 2.97Å
380V37.9Very low50.5Low111 Ų111107.5 Ų107.567%0.67363%0.63SS**  trans-68.3107.8161.8-179.40000104.1L377 G378 L382L377-V380 HydrophobicContact CB-CG2 4.25Å; L377-V380 HydrophobicContact CD2-CG2 3.86Å; G378-V380 VanDerWaalsContact C-N 3.28Å; G378-V380 PolarHBondContact O-N 2.96Å; V380-L382 PolarHBondContact O-N 2.65Å
381S40.3Very low49.7Very low75 Ų75107.2 Ų107.252%0.52463%0.634SS.*  trans-32.4130179.1-172.50000110.5A379 D383A379-S381 VanDerWaalsContact C-N 3.3Å; A379-S381 PolarHBondContact O-N 2.97Å; S381-D383 PolarHBondContact O-N 3.1Å; S381-D383 PolarHBondContact OG-OD1 2.85Å
382L42.5Very low49.1Very low164 Ų164107.9 Ų107.986%0.85963%0.629SS**  trans-64.265.8157.5-82.1138.8000107.9V380 A384V380-L382 PolarHBondContact O-N 2.65Å; L382-A384 PolarHBondContact O-N 2.8Å
383D41.2Very low48.9Very low133 Ų133107.3 Ų107.371%0.71162%0.615SS**  trans-73.282.2157.4-69.8-6.9000104.2S381 R385S381-D383 PolarHBondContact O-N 3.1Å; S381-D383 PolarHBondContact OG-OD1 2.85Å; D383-R385 PolarHBondContact O-N 2.82Å
384A46.7Very low48.1Very low58 Ų58105.6 Ų105.648%0.47962%0.616SS.*PPolyproline II helixtrans-46.2116.3172.500000107.2L382 V386L382-A384 PolarHBondContact O-N 2.8Å; A384-V386 WeakPolarHBondContact O-CG2 3.41Å; A384-V386 PolarHBondContact O-N 2.67Å
385R44.7Very low46.8Very low211 Ų211115.7 Ų115.780%0.79667%0.668SS**PPolyproline II helixtrans-60.5118170.8-69.7-174.1-179-169.11.7106.6D383 V393D383-R385 PolarHBondContact O-N 2.82Å; R385-V393 HydrophobicContact CB-CB 4.48Å; R385-V393 HydrophobicContact CB-CG2 4.25Å; R385-V393 WeakPolarHBondContact O-CG2 3.37Å; R385-V393 PolarHBondContact O-N 3.47Å
386V52.6Low46.5Very low89 Ų89118.1 Ų118.154%0.53968%0.679SS.*BIsolated β-bridgetrans-99.5132.2174.3-168.80000106.6A384 G390 T391A384-V386 WeakPolarHBondContact O-CG2 3.41Å; A384-V386 PolarHBondContact O-N 2.67Å; V386-G390 WeakPolarHBondContact CG1-O 3.44Å; V386-T391 CarbonylContact C-O 3.54Å; V386-T391 WeakPolarHBondContact CA-O 3.45Å
387N51.4Low46.7Very low77 Ų77114.3 Ų114.341%0.41267%0.665SS.*PPolyproline II helixtrans-62.2160.1169.9-70.5-34.4000110.2D389 G390 T391 V393N387-D389 WeakPolarHBondContact CB-OD1 3.03Å; N387-D389 PolarHBondContact O-N 3.47Å; N387-G390 PolarHBondContact O-N 2.89Å; N387-T391 PolarHBondContact N-O 2.8Å; N387-T391 PolarHBondContact ND2-OG1 3.31Å; N387-V393 VanDerWaalsContact OD1-CG2 3.28Å; N387-V393 WeakPolarHBondContact OD1-CG2 3.47Å
388E63Low46.9Very low217 Ų217115.2 Ų115.2100%1.01467%0.674SS**THydrogen-bonded Turntrans-56.9-18.1177.9-69.4-175.7164.100113.5
389D63.8Low47.6Very low122 Ų122118.2 Ų118.265%0.65268%0.675SS**THydrogen-bonded Turntrans-94.47.9176.160.712.7000114.5N387 T391N387-D389 WeakPolarHBondContact CB-OD1 3.03Å; N387-D389 PolarHBondContact O-N 3.47Å; D389-T391 PolarHBondContact OD1-N 3.49Å; D389-T391 PolarHBondContact OD1-OG1 3.44Å
390G51.9Low48.1Very low58 Ų58119.4 Ų119.460%0.59867%0.666SS**SBendtrans86.66.5173.800000115.2V386 N387V386-G390 WeakPolarHBondContact CG1-O 3.44Å; N387-G390 PolarHBondContact O-N 2.89Å
391T50.7Low48.8Very low69 Ų69120 Ų12042%0.42367%0.666SS.*  trans-93.3142.5179.858.90000113V386 N387 D389V386-T391 CarbonylContact C-O 3.54Å; V386-T391 WeakPolarHBondContact CA-O 3.45Å; N387-T391 PolarHBondContact N-O 2.8Å; N387-T391 PolarHBondContact ND2-OG1 3.31Å; D389-T391 PolarHBondContact OD1-N 3.49Å; D389-T391 PolarHBondContact OD1-OG1 3.44Å
392S50.6Low49.4Very low74 Ų74123.2 Ų123.252%0.51768%0.676SS.*BIsolated β-bridgetrans-72.1133.2178.654.10000111.4I394S392-I394 PolarHBondContact O-N 3.44Å
393V56.3Low49.9Very low88 Ų88120.1 Ų120.153%0.53366%0.662SS.*SBendtrans-7969170.8-170.20000109.6R385 N387R385-V393 HydrophobicContact CB-CB 4.48Å; R385-V393 HydrophobicContact CB-CG2 4.25Å; R385-V393 WeakPolarHBondContact O-CG2 3.37Å; R385-V393 PolarHBondContact O-N 3.47Å; N387-V393 VanDerWaalsContact OD1-CG2 3.28Å; N387-V393 WeakPolarHBondContact OD1-CG2 3.47Å
394I40.8Very low50.7Low126 Ų126119 Ų11965%0.64666%0.657SS**  trans-140.3107.1163.4-51.9177.8000106.6S392S392-I394 PolarHBondContact O-N 3.44Å
395N35.5Very low51Low239 Ų239124.5 Ų124.5100%1.27867%0.674SS**  trans-113.10154.4-95-10.3000107.7

Retrieved 395 of 395 residues in 100 ms (Link to these results)