A0A087WVL4_HUMAN Loading...

Allergin-1

Immunoglobulin-like receptor which plays an inhibitory role in degranulation of mast cells. Negatively regulates IgE-mediated mast cell activation and suppresses the type I immediate hypersensitivity reaction.

AlphaFold DB , UniProt , Accession A0A087WVL4, Species HUMAN (Homo sapiens, Human), Gene MILR1, Length 186 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
1M35Very low37.5Very low245 Ų245169 Ų169100%1.20779%0.79SS**  0121.50-96.5157.561.400108.6
2W30.9Very low38.3Very low226 Ų226162.3 Ų162.386%0.85678%0.775SS**  trans-61.4134.4-179.3-152.3-1.6000110.8H4W2-H4 AromaticContact CE2-CD2 3.81Å; W2-H4 AromaticContact CZ2-CD2 3.99Å; W2-H4 AromaticContact NE1-CD2 3.21Å; W2-H4 PolarHBondContact NE1-CD2 3.13Å
3S33.2Very low39.3Very low107 Ų107160.5 Ų160.575%0.74877%0.77SS**  trans-144.6111.4145.364.30000109.2L5S3-L5 PolarHBondContact O-N 2.82Å
4H34Very low39.9Very low142 Ų142162.2 Ų162.266%0.65777%0.773SS**  trans-81.599.4-174.2-142.1-65.7000107.6W2 N6W2-H4 AromaticContact CE2-CD2 3.81Å; W2-H4 AromaticContact CZ2-CD2 3.99Å; W2-H4 AromaticContact NE1-CD2 3.21Å; W2-H4 PolarHBondContact NE1-CD2 3.13Å; H4-N6 PolarHBondContact O-N 2.81Å; H4-N6 VanDerWaalsContact O-N 3.16Å
5L43.3Very low39.9Very low166 Ų166157.8 Ų157.887%0.86977%0.767SS**  trans-76.7101.3165.7-100.5112.1000108.4S3 R7S3-L5 PolarHBondContact O-N 2.82Å; L5-R7 PolarHBondContact O-N 2.86Å; L5-R7 VanDerWaalsContact O-N 3.12Å
6N35.3Very low40.1Very low133 Ų133154.1 Ų154.171%0.71176%0.762SS**  trans-71.6100.1175.6-148.614000108.6H4 L8H4-N6 PolarHBondContact O-N 2.81Å; H4-N6 VanDerWaalsContact O-N 3.16Å; N6-L8 PolarHBondContact O-N 2.82Å
7R38.8Very low40.5Very low196 Ų196152.5 Ų152.574%0.7476%0.762SS**  trans-78.396.1176.5-178.5169.5159.5-110.43.7108.4L5 L9L5-R7 PolarHBondContact O-N 2.86Å; L5-R7 VanDerWaalsContact O-N 3.12Å; R7-L9 HydrophobicContact CG-CG 4.47Å; R7-L9 PolarHBondContact O-N 3.35Å
8L43Very low40.7Very low141 Ų141150.4 Ų150.474%0.73876%0.759SS**  trans-61.795.3170.2-70.3168.2000109.3N6 F10N6-L8 PolarHBondContact O-N 2.82Å; L8-F10 PolarHBondContact O-N 2.88Å
9L44.2Very low41Very low101 Ų101148.5 Ų148.553%0.52976%0.759SS.*  trans-83.896163.2-76.6169000107.6R7 W11R7-L9 HydrophobicContact CG-CG 4.47Å; R7-L9 PolarHBondContact O-N 3.35Å; L9-W11 VanDerWaalsContact C-N 3.32Å; L9-W11 PolarHBondContact O-N 2.89Å
10F39.4Very low41.2Very low182 Ų182152.6 Ų152.680%0.79877%0.765SS**  trans-65.595.6161.2-95-94000108L8 S12L8-F10 PolarHBondContact O-N 2.88Å; F10-S12 VanDerWaalsContact C-N 3.28Å; F10-S12 PolarHBondContact O-N 2.86Å; F10-S12 VanDerWaalsContact O-N 3.09Å
11W34.9Very low41.3Very low220 Ų220154.4 Ų154.483%0.83377%0.768SS**  trans-73.989.9158.5-77-26.9000107.9L9 I13L9-W11 VanDerWaalsContact C-N 3.32Å; L9-W11 PolarHBondContact O-N 2.89Å; W11-I13 HydrophobicContact CB-CG1 4.49Å; W11-I13 PolarHBondContact O-N 3.18Å
12S47.1Very low42Very low88 Ų88147.3 Ų147.362%0.61575%0.748SS**  trans-67.289.315949.40000107.6F10 F14F10-S12 VanDerWaalsContact C-N 3.28Å; F10-S12 PolarHBondContact O-N 2.86Å; F10-S12 VanDerWaalsContact O-N 3.09Å; S12-F14 VanDerWaalsContact C-N 3.29Å; S12-F14 PolarHBondContact O-N 2.9Å
13I52.5Low42.9Very low139 Ų139142.1 Ų142.171%0.71374%0.741SS**  trans-6696.5167.3-58.9168.8000105.3W11 S15W11-I13 HydrophobicContact CB-CG1 4.49Å; W11-I13 PolarHBondContact O-N 3.18Å; I13-S15 PolarHBondContact O-N 3.03Å
14F47.1Very low43.8Very low185 Ų185141.2 Ų141.281%0.81173%0.728SS**  trans-64.493.2159-81.3-88.5000105.8S12 S16S12-F14 VanDerWaalsContact C-N 3.29Å; S12-F14 PolarHBondContact O-N 2.9Å; F14-S16 PolarHBondContact O-N 3.22Å
15S39.4Very low44.8Very low96 Ų96138.1 Ų138.167%0.67172%0.716SS**  trans-64.985.1162.936.70000106.5I13 V17I13-S15 PolarHBondContact O-N 3.03Å; S15-V17 PolarHBondContact O-N 2.88Å
16S43.2Very low45.7Very low99 Ų99132.2 Ų132.269%0.69269%0.688SS**  trans-62.694.916660.80000106.1F14 T18F14-S16 PolarHBondContact O-N 3.22Å; S16-T18 PolarHBondContact O-N 3.33Å; S16-T18 PolarHBondContact O-OG1 3Å
17V47.7Very low46.7Very low127 Ų127134.7 Ų134.777%0.7770%0.695SS**  trans-67.788.8167.4-1790000105.3S15 C19S15-V17 PolarHBondContact O-N 2.88Å; V17-C19 VanDerWaalsContact C-N 3.26Å; V17-C19 PolarHBondContact O-N 3.18Å
18T43.6Very low47.6Very low114 Ų114129 Ų12970%0.69969%0.69SS**  trans-67.797.5166.7-21.50000105S16 R20S16-T18 PolarHBondContact O-N 3.33Å; S16-T18 PolarHBondContact O-OG1 3Å; T18-R20 PolarHBondContact O-N 3.44Å
19C47.3Very low48.5Very low114 Ų114123.2 Ų123.277%0.7766%0.66SS**  trans-62.590.7167.4-165.40000106V17 K21V17-C19 VanDerWaalsContact C-N 3.26Å; V17-C19 PolarHBondContact O-N 3.18Å; C19-K21 PolarHBondContact O-N 2.82Å
20R43.8Very low49.2Very low231 Ų231126 Ų12687%0.87267%0.668SS**  trans-59.6107.8168.5-81.5-176173.4-173.3-1.6104.9T18 A22T18-R20 PolarHBondContact O-N 3.44Å; R20-A22 PolarHBondContact O-N 2.8Å
21K44.3Very low50Low190 Ų190122.3 Ų122.383%0.82666%0.66SS**  trans-54.9110.4162.5-76.5-175.2176.6178.80105.4C19 V23C19-K21 PolarHBondContact O-N 2.82Å; K21-V23 VanDerWaalsContact C-N 3.3Å; K21-V23 PolarHBondContact O-N 3.03Å
22A50Low51Low96 Ų96119.2 Ų119.279%0.79366%0.66SS**  trans-63.6100.6168.900000106.1R20 L24R20-A22 PolarHBondContact O-N 2.8Å; A22-L24 PolarHBondContact O-N 2.88Å
23V48.6Very low52.2Low117 Ų117120 Ų12071%0.70965%0.654SS**  trans-68.7120.9169.3178.20000105.6K21 D25K21-V23 VanDerWaalsContact C-N 3.3Å; K21-V23 PolarHBondContact O-N 3.03Å; V23-D25 PolarHBondContact O-N 2.84Å
24L53.1Low53.7Low89 Ų89113.8 Ų113.847%0.46662%0.622SS.*  trans-65.4100.1171.1-72.5167.1000107.7A22 V107 T108A22-L24 PolarHBondContact O-N 2.88Å; L24-V107 HydrophobicContact CD1-CG1 4.31Å; L24-T108 HydrophobicContact CB-CG2 4.14Å; L24-T108 WeakPolarHBondContact O-CB 3.43Å; L24-T108 PolarHBondContact O-OG1 2.86Å
25D55.3Low55.8Low77 Ų77107.2 Ų107.241%0.41260%0.598SS.*  trans-88.6143.5174.4-165.5-7.8000110V23 E27 A28 M29V23-D25 PolarHBondContact O-N 2.84Å; D25-E27 VanDerWaalsContact C-N 3.32Å; D25-A28 HydrophobicContact CB-CB 4.28Å; D25-A28 WeakPolarHBondContact O-CB 3.48Å; D25-A28 PolarHBondContact O-N 2.82Å; D25-A28 VanDerWaalsContact O-N 3.14Å; D25-M29 PolarHBondContact O-N 2.82Å
26C61.4Low58.4Low42 Ų42106.1 Ų106.128%0.28459%0.59SS.*THydrogen-bonded Turntrans-75.9-22.9-178.6-64.20000114.3M29 S109 C110C26-M29 VanDerWaalsContact O-O 3.07Å; C26-S109 PolarHBondContact N-OG 2.86Å; C26-S109 VanDerWaalsContact SG-CB 3.53Å; C26-S109 PolarHBondContact SG-O 3.45Å; C26-S109 PolarHBondContact SG-OG 2.85Å; C26-C110 WeakPolarHBondContact CA-SG 3.49Å; C26-C110 HydrophobicContact CB-CB 4.36Å; C26-C110 WeakPolarHBondContact CB-SG 3.31Å; C26-C110 WeakPolarHBondContact SG-CA 3.3Å; C26-C110 WeakPolarHBondContact SG-CB 3.44Å; C26-C110 PolarHBondContact SG-N 3.07Å; C26-C110 CovalentContact SG-SG 2.04Å; C26-C110 PolarHBondContact SG-SG 3.45Å
27E57Low61Low184 Ų184101.7 Ų101.786%0.8656%0.559SS**THydrogen-bonded Turntrans-67.9-28169.6-75.5-176.2152.600110.9D25D25-E27 VanDerWaalsContact C-N 3.32Å
28A57.6Low63.3Low77 Ų7799.2 Ų99.264%0.63655%0.547SS*.THydrogen-bonded Turntrans-85.7-32.117600000113.3D25 K30D25-A28 HydrophobicContact CB-CB 4.28Å; D25-A28 WeakPolarHBondContact O-CB 3.48Å; D25-A28 PolarHBondContact O-N 2.82Å; D25-A28 VanDerWaalsContact O-N 3.14Å; A28-K30 PolarHBondContact O-N 2.88Å
29M60.7Low66Low20 Ų2094.5 Ų94.510%0.09952%0.517CS..SBendtrans-78.5104.5176.2-166.6173.7-16400109.6D25 C26 T31 E33 F34 L63 C110D25-M29 PolarHBondContact O-N 2.82Å; C26-M29 VanDerWaalsContact O-O 3.07Å; M29-T31 PolarHBondContact O-N 2.96Å; M29-E33 HydrophobicContact CE-CB 4.25Å; M29-E33 HydrophobicContact CE-CG 4.03Å; M29-E33 HydrophobicContact CG-CB 3.97Å; M29-E33 HydrophobicContact CG-CG 4.27Å; M29-F34 HydrophobicContact CE-CB 3.64Å; M29-F34 HydrophobicContact CE-CD2 3.84Å; M29-F34 HydrophobicContact CE-CG 4.14Å; M29-F34 HydrophobicContact SD-CB 3.8Å; M29-F34 HydrophobicContact SD-CD2 4.41Å; M29-F34 HydrophobicContact SD-CG 4.31Å; M29-L63 HydrophobicContact CE-CD1 3.86Å; M29-C110 HydrophobicContact SD-CB 4.46Å
30K59.3Low68.4Low158 Ų15892.8 Ų92.869%0.68750%0.5SS*.  trans-54.3142.3179.5-71.5-175.1178.4178.80109.6A28 N32 E33A28-K30 PolarHBondContact O-N 2.88Å; K30-N32 PolarHBondContact O-N 3.24Å; K30-E33 WeakPolarHBondContact O-CA 3.49Å; K30-E33 VanDerWaalsContact O-CB 3.22Å; K30-E33 WeakPolarHBondContact O-CB 3.45Å; K30-E33 PolarHBondContact O-N 3.01Å
31T55.6Low70.9Confident106 Ų10682.3 Ų82.365%0.6546%0.462SS*.THydrogen-bonded Turntrans-54.5-20.3179.42.20000114.1M29M29-T31 PolarHBondContact O-N 2.96Å
32N56.6Low73.4Confident154 Ų15482.4 Ų82.482%0.82446%0.463SS*.THydrogen-bonded Turntrans-80.7-13.3174.5-66.6-26.4000114.2K30K30-N32 PolarHBondContact O-N 3.24Å
33E71.3Confident75.6Confident105 Ų10580.1 Ų80.149%0.49144%0.439SS..THydrogen-bonded Turntrans-93.4-21.2-174.9-160.2167.9-174.600112.4M29 K30M29-E33 HydrophobicContact CE-CB 4.25Å; M29-E33 HydrophobicContact CE-CG 4.03Å; M29-E33 HydrophobicContact CG-CB 3.97Å; M29-E33 HydrophobicContact CG-CG 4.27Å; K30-E33 WeakPolarHBondContact O-CA 3.49Å; K30-E33 VanDerWaalsContact O-CB 3.22Å; K30-E33 WeakPolarHBondContact O-CB 3.45Å; K30-E33 PolarHBondContact O-N 3.01Å
34F85.5Confident77.8Confident8 Ų880.8 Ų80.84%0.03543%0.433CS..SBendtrans-123.677.8172.4-159.1-113.1000111.9M29 H58 L63 I65 A105 V107 C110 K112M29-F34 HydrophobicContact CE-CB 3.64Å; M29-F34 HydrophobicContact CE-CD2 3.84Å; M29-F34 HydrophobicContact CE-CG 4.14Å; M29-F34 HydrophobicContact SD-CB 3.8Å; M29-F34 HydrophobicContact SD-CD2 4.41Å; M29-F34 HydrophobicContact SD-CG 4.31Å; F34-H58 AromaticContact CD2-CE1 3.66Å; F34-H58 AromaticContact CD2-NE2 3.53Å; F34-H58 AromaticContact CE2-CE1 3.77Å; F34-H58 AromaticContact CE2-NE2 3.53Å; F34-L63 HydrophobicContact CD2-CD1 3.8Å; F34-L63 HydrophobicContact CE2-CD1 3.97Å; F34-I65 HydrophobicContact CE2-CD1 4.14Å; F34-A105 HydrophobicContact CE1-CB 4.35Å; F34-A105 HydrophobicContact CZ-CB 3.87Å; F34-V107 HydrophobicContact CD2-CG2 4.47Å; F34-V107 HydrophobicContact CE2-CB 4.27Å; F34-V107 HydrophobicContact CE2-CG2 3.57Å; F34-V107 HydrophobicContact CZ-CB 4.49Å; F34-V107 HydrophobicContact CZ-CG2 3.94Å; F34-C110 HydrophobicContact CD1-CB 4.18Å; F34-K112 HydrophobicContact CD1-CB 4.37Å; F34-K112 HydrophobicContact CD1-CG 3.84Å; F34-K112 HydrophobicContact CE1-CB 4.31Å; F34-K112 HydrophobicContact CE1-CG 4.25Å
35P89.9Confident79.8Confident48 Ų4879.8 Ų79.831%0.31243%0.43SS..PPolyproline II helixtrans-66.6166177.928.9-36000112.4H58 K59P35-H58 PolarHBondContact O-CD2 3.48Å; P35-H58 PolarHBondContact O-NE2 3.43Å; P35-K59 HydrophobicContact CG-CB 4.28Å
36S94.4Very high81.7Confident73 Ų7376.2 Ų76.251%0.5141%0.411SS..PPolyproline II helixtrans-59140171.1-79.70000111.7Y113S36-Y113 VanDerWaalsContact CB-O 3.26Å; S36-Y113 WeakPolarHBondContact CB-O 3.49Å; S36-Y113 PolarHBondContact OG-O 2.84Å
37P96.9Very high83.2Confident6 Ų678.1 Ų78.14%0.03942%0.416CS..PPolyproline II helixtrans-67.5158.7172.130.2-35.6000111.5S57 A105 K112 S114P37-S57 CarbonylContact C-O 3.53Å; P37-S57 VanDerWaalsContact CA-O 3.28Å; P37-S57 WeakPolarHBondContact CA-O 3.42Å; P37-S57 WeakPolarHBondContact CB-O 3.43Å; P37-A105 HydrophobicContact CB-CB 3.85Å; P37-A105 HydrophobicContact CG-CB 3.7Å; P37-K112 WeakPolarHBondContact CD-O 3.19Å; P37-S114 VanDerWaalsContact O-CA 3.3Å; P37-S114 WeakPolarHBondContact O-CA 3.4Å; P37-S114 WeakPolarHBondContact O-CB 3.44Å
38C97.7Very high84.8Confident75 Ų7574.8 Ų74.851%0.50740%0.399SS..EExtended strand (participates in β ladder)trans-99.3126.8172-170.40000109.3C56 S57C38-C56 CarbonylContact O-C 3.48Å; C38-C56 WeakPolarHBondContact O-CA 3.5Å; C38-S57 PolarHBondContact N-O 2.75Å; C38-S57 PolarHBondContact O-N 2.87Å
39L98.6Very high86.3Confident15 Ų1573.3 Ų73.38%0.07939%0.392CS..EExtended strand (participates in β ladder)trans-109.4125.2172.3-179.162.1000108.5M54 F55 C56 L69 C103 F117L39-M54 HydrophobicContact CD1-CB 4.12Å; L39-M54 HydrophobicContact CD1-CE 3.8Å; L39-M54 HydrophobicContact CD2-CE 3.7Å; L39-M54 HydrophobicContact CG-CE 3.64Å; L39-F55 WeakPolarHBondContact CA-O 3.41Å; L39-C56 HydrophobicContact CD1-CB 4.19Å; L39-L69 HydrophobicContact CD1-CD1 4.02Å; L39-L69 HydrophobicContact CD2-CD1 3.88Å; L39-C103 HydrophobicContact CB-CB 4.14Å; L39-C103 HydrophobicContact CD1-CB 4.09Å; L39-C103 HydrophobicContact CD2-CB 4.28Å; L39-C103 HydrophobicContact CG-CB 4.41Å; L39-F117 HydrophobicContact CD2-CB 4.05Å; L39-F117 HydrophobicContact CG-CB 4.3Å
40D97.9Very high87.9Confident77 Ų7775 Ų7541%0.41240%0.4SS..EExtended strand (participates in β ladder)trans-144.9170.6-179.4-160.214.4000112M54 F55D40-M54 CarbonylContact O-C 3.59Å; D40-M54 WeakPolarHBondContact O-CA 3.3Å; D40-F55 PolarHBondContact N-O 3.43Å; D40-F55 PolarHBondContact O-N 3.39Å
41S97.9Very high89.6Confident11 Ų1173.4 Ų73.48%0.07740%0.398CS..EExtended strand (participates in β ladder)trans-142.2154.2173.8167.80000109.2T43 S53S41-T43 VanDerWaalsContact CB-O 3.31Å; S41-T43 WeakPolarHBondContact CB-O 3.39Å; S41-T43 PolarHBondContact O-N 2.95Å; S41-T43 VanDerWaalsContact O-N 3.11Å; S41-T43 PolarHBondContact OG-N 3.11Å; S41-T43 PolarHBondContact OG-O 3.46Å; S41-S53 PolarHBondContact OG-O 3.47Å
42K96.8Very high91.6Very high192 Ų19268.8 Ų68.884%0.83537%0.37SS*.SBendtrans-57-27.3175.3-71.8-179.2179.8179.90113.1F55K42-F55 HydrophobicContact CG-CE2 3.94Å; K42-F55 HydrophobicContact CG-CZ 4.33Å
43T95.6Very high93.5Very high49 Ų4963.3 Ų63.330%0.30134%0.344SS..  trans-135149.3175.2-176.90000110.5S41 V45 V46 F119S41-T43 VanDerWaalsContact CB-O 3.31Å; S41-T43 WeakPolarHBondContact CB-O 3.39Å; S41-T43 PolarHBondContact O-N 2.95Å; S41-T43 VanDerWaalsContact O-N 3.11Å; S41-T43 PolarHBondContact OG-N 3.11Å; S41-T43 PolarHBondContact OG-O 3.46Å; T43-V45 WeakPolarHBondContact CG2-O 3.46Å; T43-V45 PolarHBondContact OG1-N 3.47Å; T43-V45 PolarHBondContact OG1-O 3.33Å; T43-V46 HydrophobicContact CG2-CG1 3.94Å; T43-F119 VanDerWaalsContact O-CE1 3.27Å; T43-F119 WeakPolarHBondContact O-CE1 3.5Å
44K95.6Very high94.8Very high131 Ų13158.3 Ų58.357%0.5732%0.32SS*.SBendtrans-99.6-11.9167.2-64.4-173.6178.7-178.50112.5F117 F119 T120K44-F117 HydrophobicContact CG-CE2 4.07Å; K44-F117 HydrophobicContact CG-CZ 3.96Å; K44-F119 CarbonylContact O-C 3.56Å; K44-F119 VanDerWaalsContact O-CA 3.3Å; K44-F119 WeakPolarHBondContact O-CA 3.41Å; K44-T120 PolarHBondContact O-N 3.05Å
45V94.9Very high95.4Very high68 Ų6860.2 Ų60.241%0.41233%0.329SS..EExtended strand (participates in β ladder)trans-112.4127.5-178.1-177.10000108.8T43 T120 V122T43-V45 WeakPolarHBondContact CG2-O 3.46Å; T43-V45 PolarHBondContact OG1-N 3.47Å; T43-V45 PolarHBondContact OG1-O 3.33Å; V45-T120 WeakPolarHBondContact CA-O 3.36Å; V45-V122 HydrophobicContact CG1-CB 4.14Å; V45-V122 HydrophobicContact CG1-CG1 3.56Å; V45-V122 HydrophobicContact CG1-CG2 3.44Å; V45-V122 VanDerWaalsContact CG1-CG2 3.44Å
46V95.3Very high95.8Very high1 Ų158 Ų581%0.00631%0.314CS..EExtended strand (participates in β ladder)trans-138.6153-175-58.30000111.2T43 Q50 V52 I92 F119 T120 I121 V122T43-V46 HydrophobicContact CG2-CG1 3.94Å; V46-Q50 HydrophobicContact CB-CB 4.4Å; V46-V52 HydrophobicContact CG1-CG1 3.63Å; V46-I92 HydrophobicContact CG2-CB 4.36Å; V46-I92 HydrophobicContact CG2-CG1 4.41Å; V46-I92 HydrophobicContact CG2-CG2 4.15Å; V46-F119 HydrophobicContact CG1-CB 4.4Å; V46-F119 HydrophobicContact CG1-CD1 3.42Å; V46-F119 VanDerWaalsContact CG1-CD1 3.42Å; V46-F119 HydrophobicContact CG1-CE1 3.81Å; V46-F119 HydrophobicContact CG1-CG 4.05Å; V46-F119 HydrophobicContact CG2-CB 3.75Å; V46-F119 HydrophobicContact CG2-CD1 4.3Å; V46-F119 HydrophobicContact CG2-CG 4.12Å; V46-T120 PolarHBondContact N-O 2.9Å; V46-I121 HydrophobicContact CG2-CG1 3.95Å; V46-I121 CarbonylContact O-C 3.56Å; V46-I121 VanDerWaalsContact O-CA 3.29Å; V46-I121 WeakPolarHBondContact O-CA 3.22Å; V46-V122 PolarHBondContact O-N 2.84Å
47M92Very high95.9Very high82 Ų8256.5 Ų56.540%0.40430%0.304SS..  trans-95.8159.4168.6-63.7175.2-68.600110.4G49 Q50 V122 P124M47-G49 PolarHBondContact O-N 2.85Å; M47-Q50 WeakPolarHBondContact O-CB 3.41Å; M47-Q50 PolarHBondContact O-N 2.68Å; M47-Q50 VanDerWaalsContact O-N 3.11Å; M47-V122 HydrophobicContact CG-CG2 4.16Å; M47-P124 HydrophobicContact SD-CB 3.91Å; M47-P124 HydrophobicContact SD-CG 4.42Å
48K90.9Very high95.7Very high114 Ų11456.8 Ų56.850%0.49630%0.304SS..THydrogen-bonded Turntrans-59.1138.1170.4-67.3-175.9-177.8-1780110.5Q50 I92 I121K48-Q50 VanDerWaalsContact C-N 3.26Å; K48-Q50 PolarHBondContact O-N 2.81Å; K48-I92 CarbonylContact C-O 3.57Å; K48-I121 HydrophobicContact CG-CG2 4.17Å
49G89.7Confident95.5Very high47 Ų4762.3 Ų62.349%0.48532%0.32SS..THydrogen-bonded Turntrans790.2-174.900000114.5M47 I92M47-G49 PolarHBondContact O-N 2.85Å; G49-I92 PolarHBondContact N-O 2.85Å
50Q92.9Very high95.1Very high56 Ų5663.7 Ų63.726%0.26233%0.327SS..EExtended strand (participates in β ladder)trans-75132.1-179.5-173.4174.5-29.300111.4V46 M47 K48 V52 I92V46-Q50 HydrophobicContact CB-CB 4.4Å; M47-Q50 WeakPolarHBondContact O-CB 3.41Å; M47-Q50 PolarHBondContact O-N 2.68Å; M47-Q50 VanDerWaalsContact O-N 3.11Å; K48-Q50 VanDerWaalsContact C-N 3.26Å; K48-Q50 PolarHBondContact O-N 2.81Å; Q50-V52 HydrophobicContact CG-CG1 4.34Å; Q50-I92 PolarHBondContact O-N 3.12Å
51N95.9Very high94.7Very high123 Ų12366.4 Ų66.466%0.65834%0.336SS*.EExtended strand (participates in β ladder)trans-82.7134.2170.4-66.6-16.8000110.3L90 S91N51-L90 CarbonylContact C-O 3.51Å; N51-L90 WeakPolarHBondContact CA-O 3.27Å; N51-S91 VanDerWaalsContact OD1-CB 3.24Å; N51-S91 WeakPolarHBondContact OD1-CB 3.19Å; N51-S91 PolarHBondContact OD1-OG 2.84Å
52V96.7Very high94.3Very high10 Ų1069.8 Ų69.86%0.06136%0.359CS..EExtended strand (participates in β ladder)trans-133.7157.6-178.1-64.20000111V46 Q50 N89 L90 I92 F119V46-V52 HydrophobicContact CG1-CG1 3.63Å; Q50-V52 HydrophobicContact CG-CG1 4.34Å; V52-N89 WeakPolarHBondContact O-CA 3.35Å; V52-L90 HydrophobicContact CG2-CB 3.97Å; V52-L90 PolarHBondContact N-O 3.28Å; V52-L90 PolarHBondContact O-N 3.11Å; V52-I92 HydrophobicContact CG2-CD1 4.25Å; V52-I92 HydrophobicContact CG2-CG1 3.93Å; V52-F119 HydrophobicContact CB-CE1 4.33Å; V52-F119 HydrophobicContact CB-CZ 3.98Å; V52-F119 HydrophobicContact CG1-CE1 4.14Å; V52-F119 HydrophobicContact CG1-CZ 4.22Å; V52-F119 HydrophobicContact CG2-CE1 4.33Å; V52-F119 HydrophobicContact CG2-CE2 3.98Å; V52-F119 HydrophobicContact CG2-CZ 3.58Å
53S97.7Very high94Very high38 Ų3861.8 Ų61.827%0.26633%0.325SS..EExtended strand (participates in β ladder)trans-117.2125173.3-56.90000109.1S41 F55 F88 N89S41-S53 PolarHBondContact OG-O 3.47Å; S53-F55 WeakPolarHBondContact O-CD2 3.38Å; S53-F55 WeakPolarHBondContact O-CE2 3.44Å; S53-F88 WeakPolarHBondContact CA-O 3.24Å; S53-N89 WeakPolarHBondContact CB-OD1 3.1Å; S53-N89 PolarHBondContact OG-OD1 2.99Å
54M97.8Very high93.9Very high0 Ų066.6 Ų66.60%034%0.344CS..EExtended strand (participates in β ladder)trans-97.1125.4173.1-64-63.7-74.600109.1L39 D40 L69 I87 F88 L90 Y101 F117 F119L39-M54 HydrophobicContact CD1-CB 4.12Å; L39-M54 HydrophobicContact CD1-CE 3.8Å; L39-M54 HydrophobicContact CD2-CE 3.7Å; L39-M54 HydrophobicContact CG-CE 3.64Å; D40-M54 CarbonylContact O-C 3.59Å; D40-M54 WeakPolarHBondContact O-CA 3.3Å; M54-L69 HydrophobicContact CB-CD2 4.34Å; M54-L69 HydrophobicContact CG-CD2 4.44Å; M54-I87 WeakPolarHBondContact O-CA 3.41Å; M54-F88 HydrophobicContact CB-CB 4.3Å; M54-F88 PolarHBondContact N-O 2.76Å; M54-F88 PolarHBondContact O-N 3.35Å; M54-L90 HydrophobicContact CG-CD1 3.68Å; M54-L90 HydrophobicContact CG-CG 4.42Å; M54-Y101 HydrophobicContact CE-CG 4.28Å; M54-F117 HydrophobicContact CE-CB 4.15Å; M54-F117 HydrophobicContact CE-CD1 3.42Å; M54-F117 VanDerWaalsContact CE-CD1 3.42Å; M54-F117 HydrophobicContact CE-CD2 4.47Å; M54-F117 HydrophobicContact CE-CE1 3.91Å; M54-F117 HydrophobicContact CE-CG 3.76Å; M54-F117 HydrophobicContact SD-CD1 4.16Å; M54-F117 HydrophobicContact SD-CE1 4.05Å; M54-F119 HydrophobicContact SD-CE1 4.42Å; M54-F119 HydrophobicContact SD-CE2 3.68Å; M54-F119 HydrophobicContact SD-CZ 3.35Å; M54-F119 WeakPolarHBondContact SD-CZ 3.21Å
55F98.1Very high93.8Very high49 Ų4960.4 Ų60.422%0.21532%0.318CS..EExtended strand (participates in β ladder)trans-105.1114.9-178.7-55.7-89.2000108.8L39 D40 K42 S53 P85 A86 I87L39-F55 WeakPolarHBondContact CA-O 3.41Å; D40-F55 PolarHBondContact N-O 3.43Å; D40-F55 PolarHBondContact O-N 3.39Å; K42-F55 HydrophobicContact CG-CE2 3.94Å; K42-F55 HydrophobicContact CG-CZ 4.33Å; S53-F55 WeakPolarHBondContact O-CD2 3.38Å; S53-F55 WeakPolarHBondContact O-CE2 3.44Å; F55-P85 HydrophobicContact CB-CB 4.28Å; F55-A86 WeakPolarHBondContact CA-O 2.92Å; F55-I87 HydrophobicContact CD1-CD1 4.26Å; F55-I87 HydrophobicContact CD1-CG1 3.86Å; F55-I87 HydrophobicContact CD1-CG2 4.42Å; F55-I87 HydrophobicContact CE1-CD1 3.96Å; F55-I87 HydrophobicContact CE1-CG1 3.98Å; F55-I87 HydrophobicContact CE1-CG2 4.08Å
56C97.9Very high93.9Very high0 Ų059.6 Ų59.60%031%0.313CS..EExtended strand (participates in β ladder)trans-104.6118.8171.8-172.70000110.3C38 L39 Y67 P85 A86 F88 C103C38-C56 CarbonylContact O-C 3.48Å; C38-C56 WeakPolarHBondContact O-CA 3.5Å; L39-C56 HydrophobicContact CD1-CB 4.19Å; C56-Y67 HydrophobicContact CB-CD1 4.17Å; C56-Y67 WeakPolarHBondContact SG-CD1 3.37Å; C56-P85 CarbonylContact O-C 3.59Å; C56-P85 WeakPolarHBondContact O-CA 3.47Å; C56-A86 PolarHBondContact N-O 2.82Å; C56-A86 PolarHBondContact O-N 2.72Å; C56-F88 HydrophobicContact CB-CE2 4.27Å; C56-C103 HydrophobicContact CB-CB 3.73Å; C56-C103 WeakPolarHBondContact CB-SG 3.44Å; C56-C103 WeakPolarHBondContact SG-CB 3.4Å; C56-C103 CovalentContact SG-SG 2.01Å; C56-C103 PolarHBondContact SG-SG 2.73Å
57S96.3Very high94.1Very high42 Ų4259.7 Ų59.729%0.29431%0.313SS..EExtended strand (participates in β ladder)trans-126.7159.1-176.661.20000111.6P37 C38P37-S57 CarbonylContact C-O 3.53Å; P37-S57 VanDerWaalsContact CA-O 3.28Å; P37-S57 WeakPolarHBondContact CA-O 3.42Å; P37-S57 WeakPolarHBondContact CB-O 3.43Å; C38-S57 PolarHBondContact N-O 2.75Å; C38-S57 PolarHBondContact O-N 2.87Å
58H94.6Very high94.4Very high12 Ų1256.4 Ų56.46%0.05630%0.298CS..  trans-129.7142.1176.7-169.2-94.6000110F34 P35 N60 I65 Y67F34-H58 AromaticContact CD2-CE1 3.66Å; F34-H58 AromaticContact CD2-NE2 3.53Å; F34-H58 AromaticContact CE2-CE1 3.77Å; F34-H58 AromaticContact CE2-NE2 3.53Å; P35-H58 PolarHBondContact O-CD2 3.48Å; P35-H58 PolarHBondContact O-NE2 3.43Å; H58-N60 VanDerWaalsContact C-N 3.26Å; H58-N60 WeakPolarHBondContact ND1-CB 3.23Å; H58-N60 PolarHBondContact ND1-N 2.89Å; H58-N60 PolarHBondContact ND1-O 2.65Å; H58-N60 PolarHBondContact O-N 2.78Å; H58-I65 HydrophobicContact CB-CD1 3.46Å; H58-I65 VanDerWaalsContact CB-CD1 3.46Å; H58-I65 VanDerWaalsContact CG-CD1 3.44Å; H58-Y67 HydrophobicContact CB-CE1 4.21Å; H58-Y67 VanDerWaalsContact CB-OH 3.27Å; H58-Y67 WeakPolarHBondContact CB-OH 3.34Å; H58-Y67 PolarHBondContact N-OH 2.87Å
59K92.7Very high94.7Very high191 Ų19151 Ų5183%0.8328%0.275SS*.SBendtrans-62.8-36.1-177.6-173.9179.4179-177.40111.9P35 K61P35-K59 HydrophobicContact CG-CB 4.28Å; K59-K61 PolarHBondContact O-N 3.35Å
60N89.9Confident95.2Very high45 Ų4550.5 Ų50.524%0.24126%0.259CS..  trans-82.9105.3175.7-167.7-17.9000110.4H58 S62 L63H58-N60 VanDerWaalsContact C-N 3.26Å; H58-N60 WeakPolarHBondContact ND1-CB 3.23Å; H58-N60 PolarHBondContact ND1-N 2.89Å; H58-N60 PolarHBondContact ND1-O 2.65Å; H58-N60 PolarHBondContact O-N 2.78Å; N60-S62 PolarHBondContact OD1-N 3.41Å; N60-S62 VanDerWaalsContact OD1-N 3.15Å; N60-S62 PolarHBondContact OD1-OG 3.21Å; N60-L63 HydrophobicContact CB-CD1 3.93Å; N60-L63 HydrophobicContact CB-CG 4.27Å; N60-L63 WeakPolarHBondContact ND2-CD1 3.42Å
61K90.3Very high95.4Very high134 Ų13450 Ų5058%0.58326%0.255SS*.SBendtrans-83.2-13.5-177.3-68.7-164.8175.8-164.40114.5K59 G83K59-K61 PolarHBondContact O-N 3.35Å; K61-G83 VanDerWaalsContact O-CA 3.24Å; K61-G83 WeakPolarHBondContact O-CA 3.48Å; K61-G83 PolarHBondContact O-N 2.74Å; K61-G83 VanDerWaalsContact O-N 3.07Å
62S89.7Confident95.4Very high81 Ų8150.5 Ų50.557%0.56625%0.248SC*.SBendtrans-85.7-14.7-178660000113.3N60 K82N60-S62 PolarHBondContact OD1-N 3.41Å; N60-S62 VanDerWaalsContact OD1-N 3.15Å; N60-S62 PolarHBondContact OD1-OG 3.21Å; S62-K82 WeakPolarHBondContact O-CE 3.3Å
63L88.8Confident95.3Very high24 Ų2459.8 Ų59.813%0.12629%0.287CS..SBendtrans-80.4139.4179.9-62.4175.9000111.1M29 F34 N60 I65 V107M29-L63 HydrophobicContact CE-CD1 3.86Å; F34-L63 HydrophobicContact CD2-CD1 3.8Å; F34-L63 HydrophobicContact CE2-CD1 3.97Å; N60-L63 HydrophobicContact CB-CD1 3.93Å; N60-L63 HydrophobicContact CB-CG 4.27Å; N60-L63 WeakPolarHBondContact ND2-CD1 3.42Å; L63-I65 HydrophobicContact CB-CD1 4Å; L63-I65 HydrophobicContact CB-CG1 3.68Å; L63-V107 HydrophobicContact CB-CG2 4.26Å; L63-V107 HydrophobicContact CD1-CG2 4.34Å
64Q93.3Very high95.3Very high150 Ų15062 Ų6270%0.70130%0.299SS*.EExtended strand (participates in β ladder)trans-84.1111.1163.7-172.4164.320.400107.8
65I94.9Very high95.3Very high2 Ų266.6 Ų66.61%0.0132%0.32CS..EExtended strand (participates in β ladder)trans-117.2134.3-169.3-56.2-177.4000109.2F34 H58 L63 Y67 D80 G81 A105 V107F34-I65 HydrophobicContact CE2-CD1 4.14Å; H58-I65 HydrophobicContact CB-CD1 3.46Å; H58-I65 VanDerWaalsContact CB-CD1 3.46Å; H58-I65 VanDerWaalsContact CG-CD1 3.44Å; L63-I65 HydrophobicContact CB-CD1 4Å; L63-I65 HydrophobicContact CB-CG1 3.68Å; I65-Y67 HydrophobicContact CB-CD2 4.4Å; I65-Y67 HydrophobicContact CB-CE1 4.38Å; I65-Y67 HydrophobicContact CB-CE2 3.83Å; I65-Y67 HydrophobicContact CG2-CD1 3.97Å; I65-Y67 HydrophobicContact CG2-CD2 4.17Å; I65-Y67 HydrophobicContact CG2-CE1 3.69Å; I65-Y67 HydrophobicContact CG2-CE2 3.9Å; I65-Y67 HydrophobicContact CG2-CG 4.24Å; I65-D80 WeakPolarHBondContact O-CA 3.4Å; I65-G81 PolarHBondContact N-O 2.93Å; I65-G81 PolarHBondContact O-N 2.94Å; I65-A105 HydrophobicContact CG2-CB 3.69Å; I65-V107 HydrophobicContact CB-CG2 4.17Å; I65-V107 HydrophobicContact CD1-CG2 4.46Å; I65-V107 HydrophobicContact CG1-CG2 3.58Å; I65-V107 HydrophobicContact CG2-CG2 4.36Å
66T97.2Very high95.3Very high50 Ų5067.2 Ų67.231%0.30733%0.326SS..EExtended strand (participates in β ladder)trans-90114.9166.1-57.30000109T78 D80 Q106T66-T78 HydrophobicContact CG2-CG2 3.4Å; T66-D80 VanDerWaalsContact CA-OD1 3.31Å; T66-D80 WeakPolarHBondContact CA-OD1 3.25Å; T66-D80 VanDerWaalsContact CB-OD1 3.22Å; T66-D80 WeakPolarHBondContact CB-OD1 3.34Å; T66-D80 WeakPolarHBondContact CG2-OD1 3.45Å; T66-D80 PolarHBondContact OG1-OD1 2.87Å; T66-Q106 PolarHBondContact N-O 2.81Å; T66-Q106 PolarHBondContact O-N 2.77Å
67Y98.2Very high95.3Very high4 Ų468.1 Ų68.12%0.01633%0.334CS..EExtended strand (participates in β ladder)trans-96.7136.4176.1-61.7-80.2000110.5C56 H58 I65 T78 Q79 A86 K104 A105C56-Y67 HydrophobicContact CB-CD1 4.17Å; C56-Y67 WeakPolarHBondContact SG-CD1 3.37Å; H58-Y67 HydrophobicContact CB-CE1 4.21Å; H58-Y67 VanDerWaalsContact CB-OH 3.27Å; H58-Y67 WeakPolarHBondContact CB-OH 3.34Å; H58-Y67 PolarHBondContact N-OH 2.87Å; I65-Y67 HydrophobicContact CB-CD2 4.4Å; I65-Y67 HydrophobicContact CB-CE1 4.38Å; I65-Y67 HydrophobicContact CB-CE2 3.83Å; I65-Y67 HydrophobicContact CG2-CD1 3.97Å; I65-Y67 HydrophobicContact CG2-CD2 4.17Å; I65-Y67 HydrophobicContact CG2-CE1 3.69Å; I65-Y67 HydrophobicContact CG2-CE2 3.9Å; I65-Y67 HydrophobicContact CG2-CG 4.24Å; Y67-T78 CarbonylContact O-C 3.56Å; Y67-T78 WeakPolarHBondContact O-CA 3.48Å; Y67-T78 WeakPolarHBondContact O-CG2 3.38Å; Y67-Q79 PolarHBondContact N-O 2.72Å; Y67-Q79 PolarHBondContact O-N 3.3Å; Y67-A86 HydrophobicContact CD2-CB 3.52Å; Y67-A86 HydrophobicContact CE2-CB 4.26Å; Y67-A86 HydrophobicContact CG-CB 3.77Å; Y67-K104 CarbonylContact C-O 3.59Å; Y67-K104 VanDerWaalsContact CA-O 3.26Å; Y67-K104 WeakPolarHBondContact CA-O 3.28Å; Y67-A105 HydrophobicContact CD1-CB 3.98Å; Y67-A105 HydrophobicContact CE1-CB 3.94Å
68S98.5Very high95.4Very high13 Ų1369.4 Ų69.49%0.09134%0.341CS..EExtended strand (participates in β ladder)trans-129.6126.1174.1-600000110.3F70 G77 T78 C103 K104S68-F70 WeakPolarHBondContact O-CD2 3.42Å; S68-G77 CarbonylContact C-O 3.56Å; S68-G77 VanDerWaalsContact CA-O 3.32Å; S68-G77 WeakPolarHBondContact CA-O 3.11Å; S68-T78 PolarHBondContact OG-OG1 2.58Å; S68-C103 CarbonylContact O-C 3.57Å; S68-C103 WeakPolarHBondContact O-CA 3.27Å; S68-K104 PolarHBondContact N-O 2.85Å; S68-K104 PolarHBondContact O-N 3.02Å
69L98.7Very high95.6Very high0 Ų072.5 Ų72.50%036%0.355CS..EExtended strand (participates in β ladder)trans-92.9136.2178.4-174.269.5000110.4L39 M54 L76 G77 F88 L90 Y101L39-L69 HydrophobicContact CD1-CD1 4.02Å; L39-L69 HydrophobicContact CD2-CD1 3.88Å; M54-L69 HydrophobicContact CB-CD2 4.34Å; M54-L69 HydrophobicContact CG-CD2 4.44Å; L69-L76 HydrophobicContact CD2-CB 4.48Å; L69-L76 HydrophobicContact CD2-CD1 4.14Å; L69-L76 HydrophobicContact CG-CD1 4.41Å; L69-L76 PolarHBondContact O-N 3.22Å; L69-G77 PolarHBondContact N-O 3.26Å; L69-F88 HydrophobicContact CB-CD1 3.82Å; L69-F88 HydrophobicContact CB-CD2 3.94Å; L69-F88 HydrophobicContact CB-CE1 3.94Å; L69-F88 HydrophobicContact CB-CE2 4.05Å; L69-F88 HydrophobicContact CB-CG 3.83Å; L69-F88 HydrophobicContact CB-CZ 4.05Å; L69-F88 HydrophobicContact CD2-CB 3.55Å; L69-F88 HydrophobicContact CD2-CD1 4.31Å; L69-F88 HydrophobicContact CD2-CD2 4.22Å; L69-F88 HydrophobicContact CD2-CG 3.78Å; L69-F88 HydrophobicContact CG-CG 4.37Å; L69-L90 HydrophobicContact CD2-CD1 4.07Å; L69-L90 HydrophobicContact CD2-CD2 4.25Å; L69-L90 HydrophobicContact CD2-CG 4.48Å; L69-Y101 HydrophobicContact CD1-CD1 4.49Å; L69-Y101 HydrophobicContact CD2-CD1 4.43Å
70F98.6Very high95.7Very high37 Ų3768.6 Ų68.616%0.16234%0.344CS..EExtended strand (participates in β ladder)trans-126.6144.1176.1-62.6-96.7000110.5S68 T74 H75 Y101 K102 K104 Y113S68-F70 WeakPolarHBondContact O-CD2 3.42Å; F70-T74 CarbonylContact C-O 3.53Å; F70-T74 WeakPolarHBondContact CA-O 3.47Å; F70-H75 HydrophobicContact CD1-CB 3.95Å; F70-H75 HydrophobicContact CE1-CB 3.68Å; F70-H75 AromaticContact CE1-CD2 3.88Å; F70-H75 HydrophobicContact CZ-CB 4.47Å; F70-H75 AromaticContact CZ-CD2 3.8Å; F70-Y101 CarbonylContact O-C 3.47Å; F70-Y101 WeakPolarHBondContact O-CA 3.29Å; F70-K102 PolarHBondContact N-O 2.8Å; F70-K102 PolarHBondContact O-N 2.84Å; F70-K104 HydrophobicContact CD2-CB 4.44Å; F70-K104 HydrophobicContact CE2-CB 3.88Å; F70-K104 HydrophobicContact CE2-CD 4.44Å; F70-Y113 HydrophobicContact CD2-CE1 4.18Å; F70-Y113 HydrophobicContact CE2-CE1 4.15Å
71R97.9Very high95.8Very high45 Ų4567.3 Ų67.317%0.1734%0.341CS..EExtended strand (participates in β ladder)trans-110.9112.9162.9-179.7173.375.4-170.610.6108K73 T74 L76 E97 P100 Y101R71-K73 PolarHBondContact O-N 2.85Å; R71-T74 PolarHBondContact N-O 3.08Å; R71-T74 WeakPolarHBondContact O-CB 3.28Å; R71-T74 PolarHBondContact O-N 2.61Å; R71-L76 HydrophobicContact CB-CD1 3.73Å; R71-L76 HydrophobicContact CB-CD2 4.37Å; R71-L76 HydrophobicContact CB-CG 4.16Å; R71-E97 IonicContact CZ-OE1 3.01Å; R71-E97 VanDerWaalsContact NH1-CB 3.28Å; R71-E97 IonicContact NH1-OE1 3.63Å; R71-E97 PolarHBondContact NH1-OE1 3.03Å; R71-E97 IonicContact NH2-OE1 3.92Å; R71-E97 PolarHBondContact NH2-OE1 3.11Å; R71-E97 VanDerWaalsContact NH2-OE1 3.08Å; R71-P100 CarbonylContact C-O 3.6Å; R71-P100 WeakPolarHBondContact CA-O 3.19Å; R71-Y101 HydrophobicContact CB-CD1 3.92Å; R71-Y101 HydrophobicContact CB-CE1 3.77Å; R71-Y101 HydrophobicContact CG-CD1 4.35Å; R71-Y101 HydrophobicContact CG-CE1 4Å
72R95.4Very high95.9Very high134 Ų13467.3 Ų67.351%0.50634%0.341SS..THydrogen-bonded Turntrans52.8-108.1-166.2-58.7175.7-179.785.7-0.6110.1H96 G99 P100R72-H96 PolarHBondContact NH1-O 2.85Å; R72-H96 PolarHBondContact NH2-O 2.87Å; R72-G99 PolarHBondContact NH1-O 2.91Å; R72-G99 VanDerWaalsContact NH1-O 3.12Å; R72-G99 PolarHBondContact NH2-O 2.95Å; R72-P100 HydrophobicContact CG-CG 4.11Å; R72-P100 PolarHBondContact N-O 2.85Å
73K94.8Very high95.9Very high204 Ų20464.4 Ų64.489%0.88732%0.324SS*.THydrogen-bonded Turntrans-103.8-7.8177.4-61.7-177.5-179.2179.20113.1R71R71-K73 PolarHBondContact O-N 2.85Å
74T97.6Very high96.1Very high84 Ų8469.5 Ų69.552%0.51535%0.347SS..EExtended strand (participates in β ladder)trans-82.6122.8-176.9-52.90000109.7F70 R71 L76F70-T74 CarbonylContact C-O 3.53Å; F70-T74 WeakPolarHBondContact CA-O 3.47Å; R71-T74 PolarHBondContact N-O 3.08Å; R71-T74 WeakPolarHBondContact O-CB 3.28Å; R71-T74 PolarHBondContact O-N 2.61Å; T74-L76 HydrophobicContact CG2-CD2 4.2Å
75H98.2Very high96.2Very high97 Ų9764.8 Ų64.845%0.44933%0.329SS..EExtended strand (participates in β ladder)trans-72.1131.5170.2175.8-98.8000109.8F70 G77 T78F70-H75 HydrophobicContact CD1-CB 3.95Å; F70-H75 HydrophobicContact CE1-CB 3.68Å; F70-H75 AromaticContact CE1-CD2 3.88Å; F70-H75 HydrophobicContact CZ-CB 4.47Å; F70-H75 AromaticContact CZ-CD2 3.8Å; H75-G77 PolarHBondContact CE1-N 2.77Å; H75-G77 VanDerWaalsContact NE2-C 3.31Å; H75-G77 PolarHBondContact NE2-O 3.1Å; H75-G77 VanDerWaalsContact NE2-O 3.16Å; H75-T78 PolarHBondContact NE2-OG1 2.99Å
76L98.1Very high96.3Very high63 Ų6364.9 Ų64.933%0.3333%0.33SS..EExtended strand (participates in β ladder)trans-109.4-22-178.4-61.6-174.6000113L69 R71 T74 L90 Y101L69-L76 HydrophobicContact CD2-CB 4.48Å; L69-L76 HydrophobicContact CD2-CD1 4.14Å; L69-L76 HydrophobicContact CG-CD1 4.41Å; L69-L76 PolarHBondContact O-N 3.22Å; R71-L76 HydrophobicContact CB-CD1 3.73Å; R71-L76 HydrophobicContact CB-CD2 4.37Å; R71-L76 HydrophobicContact CB-CG 4.16Å; T74-L76 HydrophobicContact CG2-CD2 4.2Å; L76-L90 HydrophobicContact CD1-CD2 4.01Å; L76-Y101 HydrophobicContact CD1-CD1 4.06Å; L76-Y101 HydrophobicContact CD1-CE1 3.61Å
77G98.2Very high96.4Very high18 Ų1866.1 Ų66.119%0.18633%0.334CS..EExtended strand (participates in β ladder)trans166.5165.5-18000000113.1S68 L69 H75 F88S68-G77 CarbonylContact C-O 3.56Å; S68-G77 VanDerWaalsContact CA-O 3.32Å; S68-G77 WeakPolarHBondContact CA-O 3.11Å; L69-G77 PolarHBondContact N-O 3.26Å; H75-G77 PolarHBondContact CE1-N 2.77Å; H75-G77 VanDerWaalsContact NE2-C 3.31Å; H75-G77 PolarHBondContact NE2-O 3.1Å; H75-G77 VanDerWaalsContact NE2-O 3.16Å; G77-F88 WeakPolarHBondContact O-CE1 3.33Å
78T98.3Very high96.4Very high70 Ų7066.5 Ų66.543%0.42934%0.336SS..EExtended strand (participates in β ladder)trans-134.4141.4178.9-65.80000109.9T66 Y67 S68 H75T66-T78 HydrophobicContact CG2-CG2 3.4Å; Y67-T78 CarbonylContact O-C 3.56Å; Y67-T78 WeakPolarHBondContact O-CA 3.48Å; Y67-T78 WeakPolarHBondContact O-CG2 3.38Å; S68-T78 PolarHBondContact OG-OG1 2.58Å; H75-T78 PolarHBondContact NE2-OG1 2.99Å
79Q97.4Very high96.3Very high76 Ų7671.6 Ų71.636%0.35536%0.362SS..EExtended strand (participates in β ladder)trans-144139.1175.7-68-175.230.300110.3Y67 A86 I87 F88Y67-Q79 PolarHBondContact N-O 2.72Å; Y67-Q79 PolarHBondContact O-N 3.3Å; Q79-A86 HydrophobicContact CB-CB 4.06Å; Q79-I87 PolarHBondContact NE2-O 3.44Å; Q79-I87 PolarHBondContact OE1-O 2.9Å; Q79-F88 HydrophobicContact CB-CE1 4.44Å; Q79-F88 HydrophobicContact CB-CZ 4.23Å; Q79-F88 HydrophobicContact CG-CE1 3.96Å; Q79-F88 HydrophobicContact CG-CZ 4.22Å
80D95.1Very high96.2Very high110 Ų11073.1 Ų73.159%0.58837%0.37SS*.EExtended strand (participates in β ladder)trans-88.5143.1170.1-65.4-35.7000110.3I65 T66I65-D80 WeakPolarHBondContact O-CA 3.4Å; T66-D80 VanDerWaalsContact CA-OD1 3.31Å; T66-D80 WeakPolarHBondContact CA-OD1 3.25Å; T66-D80 VanDerWaalsContact CB-OD1 3.22Å; T66-D80 WeakPolarHBondContact CB-OD1 3.34Å; T66-D80 WeakPolarHBondContact CG2-OD1 3.45Å; T66-D80 PolarHBondContact OG1-OD1 2.87Å
81G91.9Very high96Very high17 Ų1773.7 Ų73.718%0.17538%0.379CS..EExtended strand (participates in β ladder)trans-153.7156.917900000112.4I65I65-G81 PolarHBondContact N-O 2.93Å; I65-G81 PolarHBondContact O-N 2.94Å
82K93.4Very high95.9Very high135 Ų13571.5 Ų71.559%0.58737%0.37SS*.EExtended strand (participates in β ladder)trans-140.2122.9173.5-178.6179.2-177.4177.50108.4S62 E84S62-K82 WeakPolarHBondContact O-CE 3.3Å; K82-E84 PolarHBondContact O-N 3.48Å
83G88.7Confident95.7Very high20 Ų2068.5 Ų68.521%0.20637%0.367CS..SBendtrans74.1-39178.300000115.7K61K61-G83 VanDerWaalsContact O-CA 3.24Å; K61-G83 WeakPolarHBondContact O-CA 3.48Å; K61-G83 PolarHBondContact O-N 2.74Å; K61-G83 VanDerWaalsContact O-N 3.07Å
84E93.7Very high95.5Very high131 Ų13163.2 Ų63.261%0.61235%0.345SS*.SBendtrans-95.5151.5178.5-63.6-51.4130.400112.8K82K82-E84 PolarHBondContact O-N 3.48Å
85P95.5Very high95.1Very high50 Ų5061.8 Ų61.833%0.32534%0.342SS..PPolyproline II helixtrans-64.9140.1174.1-17.430.7000112.1F55 C56F55-P85 HydrophobicContact CB-CB 4.28Å; C56-P85 CarbonylContact O-C 3.59Å; C56-P85 WeakPolarHBondContact O-CA 3.47Å
86A97.5Very high94.8Very high5 Ų562.2 Ų62.24%0.04134%0.344CS..EExtended strand (participates in β ladder)trans-71.9136.1164.100000110F55 C56 Y67 Q79 F88F55-A86 WeakPolarHBondContact CA-O 2.92Å; C56-A86 PolarHBondContact N-O 2.82Å; C56-A86 PolarHBondContact O-N 2.72Å; Y67-A86 HydrophobicContact CD2-CB 3.52Å; Y67-A86 HydrophobicContact CE2-CB 4.26Å; Y67-A86 HydrophobicContact CG-CB 3.77Å; Q79-A86 HydrophobicContact CB-CB 4.06Å; A86-F88 HydrophobicContact CB-CE2 3.81Å; A86-F88 HydrophobicContact CB-CZ 4.24Å
87I98.2Very high94.7Very high75 Ų7560.6 Ų60.639%0.38534%0.335SS..EExtended strand (participates in β ladder)trans-115.7112-173.2-53.7178.2000109.7M54 F55 Q79M54-I87 WeakPolarHBondContact O-CA 3.41Å; F55-I87 HydrophobicContact CD1-CD1 4.26Å; F55-I87 HydrophobicContact CD1-CG1 3.86Å; F55-I87 HydrophobicContact CD1-CG2 4.42Å; F55-I87 HydrophobicContact CE1-CD1 3.96Å; F55-I87 HydrophobicContact CE1-CG1 3.98Å; F55-I87 HydrophobicContact CE1-CG2 4.08Å; Q79-I87 PolarHBondContact NE2-O 3.44Å; Q79-I87 PolarHBondContact OE1-O 2.9Å
88F98.3Very high94.5Very high13 Ų1361 Ų616%0.05734%0.335CS..EExtended strand (participates in β ladder)trans-104.1116.1176.1-58.6-90.1000109.6S53 M54 C56 L69 G77 Q79 A86S53-F88 WeakPolarHBondContact CA-O 3.24Å; M54-F88 HydrophobicContact CB-CB 4.3Å; M54-F88 PolarHBondContact N-O 2.76Å; M54-F88 PolarHBondContact O-N 3.35Å; C56-F88 HydrophobicContact CB-CE2 4.27Å; L69-F88 HydrophobicContact CB-CD1 3.82Å; L69-F88 HydrophobicContact CB-CD2 3.94Å; L69-F88 HydrophobicContact CB-CE1 3.94Å; L69-F88 HydrophobicContact CB-CE2 4.05Å; L69-F88 HydrophobicContact CB-CG 3.83Å; L69-F88 HydrophobicContact CB-CZ 4.05Å; L69-F88 HydrophobicContact CD2-CB 3.55Å; L69-F88 HydrophobicContact CD2-CD1 4.31Å; L69-F88 HydrophobicContact CD2-CD2 4.22Å; L69-F88 HydrophobicContact CD2-CG 3.78Å; L69-F88 HydrophobicContact CG-CG 4.37Å; G77-F88 WeakPolarHBondContact O-CE1 3.33Å; Q79-F88 HydrophobicContact CB-CE1 4.44Å; Q79-F88 HydrophobicContact CB-CZ 4.23Å; Q79-F88 HydrophobicContact CG-CE1 3.96Å; Q79-F88 HydrophobicContact CG-CZ 4.22Å; A86-F88 HydrophobicContact CB-CE2 3.81Å; A86-F88 HydrophobicContact CB-CZ 4.24Å
89N97.8Very high94.4Very high119 Ų11957.8 Ų57.864%0.63632%0.315SS*.EExtended strand (participates in β ladder)trans-87.8129.4175.6-64.5-40.6000109.8V52 S53V52-N89 WeakPolarHBondContact O-CA 3.35Å; S53-N89 WeakPolarHBondContact CB-OD1 3.1Å; S53-N89 PolarHBondContact OG-OD1 2.99Å
90L95.9Very high94.4Very high32 Ų3256 Ų5617%0.16831%0.311CS..EExtended strand (participates in β ladder)trans-129155.3-178.6-54.5175000109.5N51 V52 M54 L69 L76 Y101N51-L90 CarbonylContact C-O 3.51Å; N51-L90 WeakPolarHBondContact CA-O 3.27Å; V52-L90 HydrophobicContact CG2-CB 3.97Å; V52-L90 PolarHBondContact N-O 3.28Å; V52-L90 PolarHBondContact O-N 3.11Å; M54-L90 HydrophobicContact CG-CD1 3.68Å; M54-L90 HydrophobicContact CG-CG 4.42Å; L69-L90 HydrophobicContact CD2-CD1 4.07Å; L69-L90 HydrophobicContact CD2-CD2 4.25Å; L69-L90 HydrophobicContact CD2-CG 4.48Å; L76-L90 HydrophobicContact CD1-CD2 4.01Å; L90-Y101 HydrophobicContact CD1-CD1 4.18Å; L90-Y101 HydrophobicContact CD1-CE1 3.46Å; L90-Y101 VanDerWaalsContact CD1-CE1 3.46Å
91S95.1Very high94.6Very high49 Ų4950.9 Ų50.934%0.34328%0.283SS..EExtended strand (participates in β ladder)trans-113.1126.3163.9-164.20000108.1N51 T93N51-S91 VanDerWaalsContact OD1-CB 3.24Å; N51-S91 WeakPolarHBondContact OD1-CB 3.19Å; N51-S91 PolarHBondContact OD1-OG 2.84Å; S91-T93 PolarHBondContact O-N 2.84Å
92I94.9Very high94.9Very high0 Ų053.6 Ų53.60%029%0.29CS..EExtended strand (participates in β ladder)trans-95.292.1178.3-52.8-59.5000107.5V46 K48 G49 Q50 V52 E97 Y101 F119 I121V46-I92 HydrophobicContact CG2-CB 4.36Å; V46-I92 HydrophobicContact CG2-CG1 4.41Å; V46-I92 HydrophobicContact CG2-CG2 4.15Å; K48-I92 CarbonylContact C-O 3.57Å; G49-I92 PolarHBondContact N-O 2.85Å; Q50-I92 PolarHBondContact O-N 3.12Å; V52-I92 HydrophobicContact CG2-CD1 4.25Å; V52-I92 HydrophobicContact CG2-CG1 3.93Å; I92-E97 HydrophobicContact CG2-CB 4.24Å; I92-Y101 VanDerWaalsContact CD1-OH 3.3Å; I92-Y101 WeakPolarHBondContact CD1-OH 3.5Å; I92-F119 HydrophobicContact CD1-CD2 4.1Å; I92-F119 HydrophobicContact CD1-CE2 4.09Å; I92-F119 HydrophobicContact CG1-CD2 4.32Å; I92-F119 HydrophobicContact CG1-CE2 4.41Å; I92-I121 HydrophobicContact CG2-CD1 4Å; I92-I121 HydrophobicContact CG2-CG1 4.45Å
93T91.7Very high95.2Very high70 Ų7047.1 Ų47.143%0.42926%0.262SS..  trans-87.4-36.9-17561.20000111.9S91 E97S91-T93 PolarHBondContact O-N 2.84Å; T93-E97 PolarHBondContact N-OE2 3.16Å; T93-E97 PolarHBondContact OG1-OE2 2.91Å
94E91.1Very high95.6Very high93 Ų9348 Ų4844%0.43526%0.26SS..SBendtrans-125.9159.2-172.8-72.3-63.8167.700113.8H96 E97E94-H96 VanDerWaalsContact C-N 3.26Å; E94-H96 WeakPolarHBondContact CB-CE1 3.14Å; E94-H96 WeakPolarHBondContact CB-ND1 3.39Å; E94-H96 PolarHBondContact O-N 2.77Å; E94-E97 HydrophobicContact CB-CG 4.09Å; E94-E97 PolarHBondContact N-OE2 3.48Å; E94-E97 VanDerWaalsContact O-CB 3.29Å; E94-E97 WeakPolarHBondContact O-CB 3.46Å; E94-E97 PolarHBondContact O-N 2.77Å
95A89.3Confident95.8Very high54 Ų5441.8 Ų41.845%0.44623%0.231SC..G310 helixtrans-58-38.3-17600000113.4E97 S98 I121A95-E97 PolarHBondContact O-N 2.87Å; A95-S98 VanDerWaalsContact O-CB 3.31Å; A95-S98 WeakPolarHBondContact O-CB 3.47Å; A95-S98 PolarHBondContact O-N 2.85Å; A95-S98 PolarHBondContact O-OG 2.8Å; A95-I121 VanDerWaalsContact CA-CD1 3.48Å; A95-I121 HydrophobicContact CB-CD1 4.44Å
96H91.1Very high95.7Very high107 Ų10742.4 Ų42.450%0.49523%0.23SC..G310 helixtrans-72.4-13.9-179.271.1-89.4000113.2R72 E94 S98R72-H96 PolarHBondContact NH1-O 2.85Å; R72-H96 PolarHBondContact NH2-O 2.87Å; E94-H96 VanDerWaalsContact C-N 3.26Å; E94-H96 WeakPolarHBondContact CB-CE1 3.14Å; E94-H96 WeakPolarHBondContact CB-ND1 3.39Å; E94-H96 PolarHBondContact O-N 2.77Å; H96-S98 VanDerWaalsContact C-N 3.29Å
97E94.9Very high95.4Very high28 Ų2842.7 Ų42.713%0.13123%0.231CC..G310 helixtrans-83.3-5.1176.1-54.8-158.3115.600112.8R71 I92 T93 E94 A95 G99 Y101R71-E97 IonicContact CZ-OE1 3.01Å; R71-E97 VanDerWaalsContact NH1-CB 3.28Å; R71-E97 IonicContact NH1-OE1 3.63Å; R71-E97 PolarHBondContact NH1-OE1 3.03Å; R71-E97 IonicContact NH2-OE1 3.92Å; R71-E97 PolarHBondContact NH2-OE1 3.11Å; R71-E97 VanDerWaalsContact NH2-OE1 3.08Å; I92-E97 HydrophobicContact CG2-CB 4.24Å; T93-E97 PolarHBondContact N-OE2 3.16Å; T93-E97 PolarHBondContact OG1-OE2 2.91Å; E94-E97 HydrophobicContact CB-CG 4.09Å; E94-E97 PolarHBondContact N-OE2 3.48Å; E94-E97 VanDerWaalsContact O-CB 3.29Å; E94-E97 WeakPolarHBondContact O-CB 3.46Å; E94-E97 PolarHBondContact O-N 2.77Å; A95-E97 PolarHBondContact O-N 2.87Å; E97-G99 PolarHBondContact O-N 2.83Å; E97-G99 VanDerWaalsContact O-N 3.1Å; E97-Y101 WeakPolarHBondContact O-CE2 3.29Å; E97-Y101 VanDerWaalsContact O-CZ 3.3Å; E97-Y101 PolarHBondContact O-OH 2.9Å
98S95.6Very high94.8Very high27 Ų2742.8 Ų42.819%0.18924%0.235CC..G310 helixtrans-58-22.9176.953.50000114.3A95 H96 Y101 S118 F119A95-S98 VanDerWaalsContact O-CB 3.31Å; A95-S98 WeakPolarHBondContact O-CB 3.47Å; A95-S98 PolarHBondContact O-N 2.85Å; A95-S98 PolarHBondContact O-OG 2.8Å; H96-S98 VanDerWaalsContact C-N 3.29Å; S98-Y101 WeakPolarHBondContact O-CE2 3.4Å; S98-S118 CarbonylContact O-C 3.58Å; S98-S118 WeakPolarHBondContact O-CA 3.45Å; S98-F119 WeakPolarHBondContact CB-O 3.33Å; S98-F119 PolarHBondContact O-N 2.83Å
99G96.1Very high94Very high2 Ų245.4 Ų45.42%0.02126%0.255CS..  trans141-163.6179.400000111.7R72 E97R72-G99 PolarHBondContact NH1-O 2.91Å; R72-G99 VanDerWaalsContact NH1-O 3.12Å; R72-G99 PolarHBondContact NH2-O 2.95Å; E97-G99 PolarHBondContact O-N 2.83Å; E97-G99 VanDerWaalsContact O-N 3.1Å
100P97.7Very high93.5Very high40 Ų4040.3 Ų40.326%0.2623%0.228SC..  cis-73.9149-1.930.6-36.9000113.1R71 R72 D116 F117 S118R71-P100 CarbonylContact C-O 3.6Å; R71-P100 WeakPolarHBondContact CA-O 3.19Å; R72-P100 HydrophobicContact CG-CG 4.11Å; R72-P100 PolarHBondContact N-O 2.85Å; P100-D116 HydrophobicContact CB-CB 4.12Å; P100-D116 WeakPolarHBondContact CB-OD1 3.35Å; P100-F117 CarbonylContact C-O 3.53Å; P100-F117 WeakPolarHBondContact CA-O 3.29Å; P100-S118 WeakPolarHBondContact CA-OG 3.31Å
101Y98.6Very high93.4Very high1 Ų141 Ų410%0.00424%0.236CC..EExtended strand (participates in β ladder)trans-108143.5173.8-66.1-90.6000110.8M54 L69 F70 R71 L76 L90 I92 E97 S98 D116 F117 F119M54-Y101 HydrophobicContact CE-CG 4.28Å; L69-Y101 HydrophobicContact CD1-CD1 4.49Å; L69-Y101 HydrophobicContact CD2-CD1 4.43Å; F70-Y101 CarbonylContact O-C 3.47Å; F70-Y101 WeakPolarHBondContact O-CA 3.29Å; R71-Y101 HydrophobicContact CB-CD1 3.92Å; R71-Y101 HydrophobicContact CB-CE1 3.77Å; R71-Y101 HydrophobicContact CG-CD1 4.35Å; R71-Y101 HydrophobicContact CG-CE1 4Å; L76-Y101 HydrophobicContact CD1-CD1 4.06Å; L76-Y101 HydrophobicContact CD1-CE1 3.61Å; L90-Y101 HydrophobicContact CD1-CD1 4.18Å; L90-Y101 HydrophobicContact CD1-CE1 3.46Å; L90-Y101 VanDerWaalsContact CD1-CE1 3.46Å; I92-Y101 VanDerWaalsContact CD1-OH 3.3Å; I92-Y101 WeakPolarHBondContact CD1-OH 3.5Å; E97-Y101 WeakPolarHBondContact O-CE2 3.29Å; E97-Y101 VanDerWaalsContact O-CZ 3.3Å; E97-Y101 PolarHBondContact O-OH 2.9Å; S98-Y101 WeakPolarHBondContact O-CE2 3.4Å; Y101-D116 CarbonylContact O-C 3.59Å; Y101-D116 WeakPolarHBondContact O-CA 3.5Å; Y101-F117 WeakPolarHBondContact CB-O 3.33Å; Y101-F117 PolarHBondContact N-O 2.83Å; Y101-F117 PolarHBondContact O-N 2.9Å; Y101-F119 HydrophobicContact CD2-CD2 4.39Å; Y101-F119 HydrophobicContact CD2-CE2 4.37Å; Y101-F119 AromaticContact CE2-CD2 3.9Å; Y101-F119 HydrophobicContact CE2-CD2 3.9Å; Y101-F119 AromaticContact CE2-CE2 3.97Å; Y101-F119 HydrophobicContact CE2-CE2 3.97Å
102K98.3Very high93.4Very high74 Ų7442.4 Ų42.432%0.32224%0.236SC..EExtended strand (participates in β ladder)trans-134.1144.5168.2-65.8-169.6-176-170.90110.2F70 Y113 D116F70-K102 PolarHBondContact N-O 2.8Å; F70-K102 PolarHBondContact O-N 2.84Å; K102-Y113 HydrophobicContact CB-CD1 4.34Å; K102-D116 WeakPolarHBondContact CE-OD1 3.45Å; K102-D116 WeakPolarHBondContact CE-OD2 3.18Å; K102-D116 VanDerWaalsContact CG-OD1 3.32Å; K102-D116 WeakPolarHBondContact CG-OD1 3.45Å; K102-D116 IonicContact NZ-OD1 3.4Å; K102-D116 IonicContact NZ-OD2 3.08Å; K102-D116 PolarHBondContact NZ-OD2 2.93Å
103C98.4Very high93.5Very high0 Ų047.7 Ų47.70%026%0.257CS..EExtended strand (participates in β ladder)trans-103.2134.4168179.70000110L39 C56 S68 Y113 S114L39-C103 HydrophobicContact CB-CB 4.14Å; L39-C103 HydrophobicContact CD1-CB 4.09Å; L39-C103 HydrophobicContact CD2-CB 4.28Å; L39-C103 HydrophobicContact CG-CB 4.41Å; C56-C103 HydrophobicContact CB-CB 3.73Å; C56-C103 WeakPolarHBondContact CB-SG 3.44Å; C56-C103 WeakPolarHBondContact SG-CB 3.4Å; C56-C103 CovalentContact SG-SG 2.01Å; C56-C103 PolarHBondContact SG-SG 2.73Å; S68-C103 CarbonylContact O-C 3.57Å; S68-C103 WeakPolarHBondContact O-CA 3.27Å; C103-Y113 CarbonylContact O-C 3.5Å; C103-Y113 VanDerWaalsContact O-CA 3.29Å; C103-Y113 WeakPolarHBondContact O-CA 3.36Å; C103-S114 PolarHBondContact N-OG 2.91Å; C103-S114 PolarHBondContact O-N 2.87Å
104K97.9Very high93.8Very high38 Ų3844.7 Ų44.717%0.16524%0.239CC..EExtended strand (participates in β ladder)trans-99.5125.9168-170.1-170.3-179.9-164.70108.5Y67 S68 F70 S111 K112 Y113Y67-K104 CarbonylContact C-O 3.59Å; Y67-K104 VanDerWaalsContact CA-O 3.26Å; Y67-K104 WeakPolarHBondContact CA-O 3.28Å; S68-K104 PolarHBondContact N-O 2.85Å; S68-K104 PolarHBondContact O-N 3.02Å; F70-K104 HydrophobicContact CD2-CB 4.44Å; F70-K104 HydrophobicContact CE2-CB 3.88Å; F70-K104 HydrophobicContact CE2-CD 4.44Å; K104-S111 VanDerWaalsContact CE-OG 3.27Å; K104-S111 WeakPolarHBondContact CE-OG 3.45Å; K104-K112 WeakPolarHBondContact CA-O 3.3Å; K104-Y113 HydrophobicContact CB-CD1 3.78Å; K104-Y113 HydrophobicContact CB-CE1 3.56Å; K104-Y113 HydrophobicContact CD-CE1 4.08Å; K104-Y113 HydrophobicContact CD-CE2 4.44Å; K104-Y113 HydrophobicContact CG-CD1 4.18Å; K104-Y113 HydrophobicContact CG-CE1 3.82Å; K104-Y113 HydrophobicContact CG-CE2 4.29Å
105A96.9Very high94.2Very high0 Ų051 Ų510%026%0.259CS..EExtended strand (participates in β ladder)trans-100134.8165.800000108.5F34 P37 I65 Y67 S111 K112F34-A105 HydrophobicContact CE1-CB 4.35Å; F34-A105 HydrophobicContact CZ-CB 3.87Å; P37-A105 HydrophobicContact CB-CB 3.85Å; P37-A105 HydrophobicContact CG-CB 3.7Å; I65-A105 HydrophobicContact CG2-CB 3.69Å; Y67-A105 HydrophobicContact CD1-CB 3.98Å; Y67-A105 HydrophobicContact CE1-CB 3.94Å; A105-S111 WeakPolarHBondContact O-CA 3.42Å; A105-S111 WeakPolarHBondContact O-CB 3.47Å; A105-K112 PolarHBondContact N-O 2.79Å; A105-K112 PolarHBondContact O-N 2.62Å
106Q94.9Very high94.6Very high64 Ų6452.8 Ų52.830%0.29926%0.26SS..EExtended strand (participates in β ladder)trans-135133180-177.2163.7-0.600111.7T66 T108 C110T66-Q106 PolarHBondContact N-O 2.81Å; T66-Q106 PolarHBondContact O-N 2.77Å; Q106-T108 PolarHBondContact NE2-O 2.01Å; Q106-C110 CarbonylContact C-O 3.54Å; Q106-C110 WeakPolarHBondContact CA-O 3.19Å; Q106-C110 WeakPolarHBondContact CG-O 3.32Å
107V91.8Very high94.9Very high10 Ų1048.3 Ų48.36%0.06124%0.24CC..EExtended strand (participates in β ladder)trans-132.8124.1171178.30000106.5L24 F34 L63 I65 S109 C110L24-V107 HydrophobicContact CD1-CG1 4.31Å; F34-V107 HydrophobicContact CD2-CG2 4.47Å; F34-V107 HydrophobicContact CE2-CB 4.27Å; F34-V107 HydrophobicContact CE2-CG2 3.57Å; F34-V107 HydrophobicContact CZ-CB 4.49Å; F34-V107 HydrophobicContact CZ-CG2 3.94Å; L63-V107 HydrophobicContact CB-CG2 4.26Å; L63-V107 HydrophobicContact CD1-CG2 4.34Å; I65-V107 HydrophobicContact CB-CG2 4.17Å; I65-V107 HydrophobicContact CD1-CG2 4.46Å; I65-V107 HydrophobicContact CG1-CG2 3.58Å; I65-V107 HydrophobicContact CG2-CG2 4.36Å; V107-S109 PolarHBondContact O-N 2.87Å; V107-S109 VanDerWaalsContact O-N 3.08Å; V107-C110 PolarHBondContact N-O 2.95Å; V107-C110 WeakPolarHBondContact O-CA 3.5Å; V107-C110 WeakPolarHBondContact O-CB 3.43Å; V107-C110 PolarHBondContact O-N 3.01Å
108T84.6Confident95.1Very high78 Ų7850 Ų5048%0.47925%0.254SS..THydrogen-bonded Turntrans46.1-115.3-176.256.40000111.6L24 Q106L24-T108 HydrophobicContact CB-CG2 4.14Å; L24-T108 WeakPolarHBondContact O-CB 3.43Å; L24-T108 PolarHBondContact O-OG1 2.86Å; Q106-T108 PolarHBondContact NE2-O 2.01Å
109S81.8Confident95.2Very high68 Ų6849 Ų4948%0.47625%0.247SC..THydrogen-bonded Turntrans-86.6-7.4178.541.30000113.7C26 V107C26-S109 PolarHBondContact N-OG 2.86Å; C26-S109 VanDerWaalsContact SG-CB 3.53Å; C26-S109 PolarHBondContact SG-O 3.45Å; C26-S109 PolarHBondContact SG-OG 2.85Å; V107-S109 PolarHBondContact O-N 2.87Å; V107-S109 VanDerWaalsContact O-N 3.08Å
110C87.4Confident95.1Very high11 Ų1153 Ų537%0.07427%0.271CS..EExtended strand (participates in β ladder)trans-99.9131.3-166.4-620000110.1C26 M29 F34 Q106 V107C26-C110 WeakPolarHBondContact CA-SG 3.49Å; C26-C110 HydrophobicContact CB-CB 4.36Å; C26-C110 WeakPolarHBondContact CB-SG 3.31Å; C26-C110 WeakPolarHBondContact SG-CA 3.3Å; C26-C110 WeakPolarHBondContact SG-CB 3.44Å; C26-C110 PolarHBondContact SG-N 3.07Å; C26-C110 CovalentContact SG-SG 2.04Å; C26-C110 PolarHBondContact SG-SG 3.45Å; M29-C110 HydrophobicContact SD-CB 4.46Å; F34-C110 HydrophobicContact CD1-CB 4.18Å; Q106-C110 CarbonylContact C-O 3.54Å; Q106-C110 WeakPolarHBondContact CA-O 3.19Å; Q106-C110 WeakPolarHBondContact CG-O 3.32Å; V107-C110 PolarHBondContact N-O 2.95Å; V107-C110 WeakPolarHBondContact O-CA 3.5Å; V107-C110 WeakPolarHBondContact O-CB 3.43Å; V107-C110 PolarHBondContact O-N 3.01Å
111S92.8Very high95Very high48 Ų4853.1 Ų53.134%0.33627%0.269SS..EExtended strand (participates in β ladder)trans-144.9146.4173.866.30000113.9K104 A105K104-S111 VanDerWaalsContact CE-OG 3.27Å; K104-S111 WeakPolarHBondContact CE-OG 3.45Å; A105-S111 WeakPolarHBondContact O-CA 3.42Å; A105-S111 WeakPolarHBondContact O-CB 3.47Å
112K95.4Very high94.7Very high78 Ų7855 Ų5534%0.33928%0.28SS..EExtended strand (participates in β ladder)trans-139.5146.8175.4-68-68.8-177178.90109.9F34 P37 K104 A105F34-K112 HydrophobicContact CD1-CB 4.37Å; F34-K112 HydrophobicContact CD1-CG 3.84Å; F34-K112 HydrophobicContact CE1-CB 4.31Å; F34-K112 HydrophobicContact CE1-CG 4.25Å; P37-K112 WeakPolarHBondContact CD-O 3.19Å; K104-K112 WeakPolarHBondContact CA-O 3.3Å; A105-K112 PolarHBondContact N-O 2.79Å; A105-K112 PolarHBondContact O-N 2.62Å
113Y97.4Very high94.4Very high110 Ų11055.3 Ų55.343%0.43129%0.286SS..EExtended strand (participates in β ladder)trans-97.3148.3172.2-69.5-88.1000110.7S36 F70 K102 C103 K104S36-Y113 VanDerWaalsContact CB-O 3.26Å; S36-Y113 WeakPolarHBondContact CB-O 3.49Å; S36-Y113 PolarHBondContact OG-O 2.84Å; F70-Y113 HydrophobicContact CD2-CE1 4.18Å; F70-Y113 HydrophobicContact CE2-CE1 4.15Å; K102-Y113 HydrophobicContact CB-CD1 4.34Å; C103-Y113 CarbonylContact O-C 3.5Å; C103-Y113 VanDerWaalsContact O-CA 3.29Å; C103-Y113 WeakPolarHBondContact O-CA 3.36Å; K104-Y113 HydrophobicContact CB-CD1 3.78Å; K104-Y113 HydrophobicContact CB-CE1 3.56Å; K104-Y113 HydrophobicContact CD-CE1 4.08Å; K104-Y113 HydrophobicContact CD-CE2 4.44Å; K104-Y113 HydrophobicContact CG-CD1 4.18Å; K104-Y113 HydrophobicContact CG-CE1 3.82Å; K104-Y113 HydrophobicContact CG-CE2 4.29Å
114S98.4Very high94.1Very high7 Ų759 Ų595%0.04931%0.309CS..PPolyproline II helixtrans-68.6171.2166.471.10000110.9P37 C103P37-S114 VanDerWaalsContact O-CA 3.3Å; P37-S114 WeakPolarHBondContact O-CA 3.4Å; P37-S114 WeakPolarHBondContact O-CB 3.44Å; C103-S114 PolarHBondContact N-OG 2.91Å; C103-S114 PolarHBondContact O-N 2.87Å
115R98.1Very high93.9Very high227 Ų22761 Ų6186%0.85733%0.325SS*.PPolyproline II helixtrans-64.4161160.3-64.9-176.7-178.8177.90.1110.2
116D97.9Very high93.8Very high90 Ų9063.4 Ų63.448%0.48134%0.339SS..PPolyproline II helixtrans-63.3138.3171.8-77.8-59.6000111.1P100 Y101 K102P100-D116 HydrophobicContact CB-CB 4.12Å; P100-D116 WeakPolarHBondContact CB-OD1 3.35Å; Y101-D116 CarbonylContact O-C 3.59Å; Y101-D116 WeakPolarHBondContact O-CA 3.5Å; K102-D116 WeakPolarHBondContact CE-OD1 3.45Å; K102-D116 WeakPolarHBondContact CE-OD2 3.18Å; K102-D116 VanDerWaalsContact CG-OD1 3.32Å; K102-D116 WeakPolarHBondContact CG-OD1 3.45Å; K102-D116 IonicContact NZ-OD1 3.4Å; K102-D116 IonicContact NZ-OD2 3.08Å; K102-D116 PolarHBondContact NZ-OD2 2.93Å
117F98.3Very high93.8Very high14 Ų1465.5 Ų65.56%0.06136%0.361CS..BIsolated β-bridgetrans-122.1130.5169.6-177.9-76.6000109.1L39 K44 M54 P100 Y101 F119L39-F117 HydrophobicContact CD2-CB 4.05Å; L39-F117 HydrophobicContact CG-CB 4.3Å; K44-F117 HydrophobicContact CG-CE2 4.07Å; K44-F117 HydrophobicContact CG-CZ 3.96Å; M54-F117 HydrophobicContact CE-CB 4.15Å; M54-F117 HydrophobicContact CE-CD1 3.42Å; M54-F117 VanDerWaalsContact CE-CD1 3.42Å; M54-F117 HydrophobicContact CE-CD2 4.47Å; M54-F117 HydrophobicContact CE-CE1 3.91Å; M54-F117 HydrophobicContact CE-CG 3.76Å; M54-F117 HydrophobicContact SD-CD1 4.16Å; M54-F117 HydrophobicContact SD-CE1 4.05Å; P100-F117 CarbonylContact C-O 3.53Å; P100-F117 WeakPolarHBondContact CA-O 3.29Å; Y101-F117 WeakPolarHBondContact CB-O 3.33Å; Y101-F117 PolarHBondContact N-O 2.83Å; Y101-F117 PolarHBondContact O-N 2.9Å; F117-F119 HydrophobicContact CD1-CE2 4.4Å; F117-F119 AromaticContact CE1-CD1 3.76Å; F117-F119 HydrophobicContact CE1-CD1 3.76Å; F117-F119 HydrophobicContact CE1-CD2 4Å; F117-F119 AromaticContact CE1-CE1 3.64Å; F117-F119 HydrophobicContact CE1-CE1 3.64Å; F117-F119 AromaticContact CE1-CE2 3.86Å; F117-F119 HydrophobicContact CE1-CE2 3.86Å; F117-F119 AromaticContact CE1-CG 3.96Å; F117-F119 HydrophobicContact CE1-CG 3.96Å; F117-F119 AromaticContact CE1-CZ 3.68Å; F117-F119 HydrophobicContact CE1-CZ 3.68Å; F117-F119 HydrophobicContact CZ-CD1 4.25Å; F117-F119 HydrophobicContact CZ-CE1 4.02Å; F117-F119 HydrophobicContact CZ-CZ 4.37Å
118S97.9Very high94Very high62 Ų6268.6 Ų68.643%0.43438%0.381SS..  trans-130.7141172.5-62.60000109.5S98 P100S98-S118 CarbonylContact O-C 3.58Å; S98-S118 WeakPolarHBondContact O-CA 3.45Å; P100-S118 WeakPolarHBondContact CA-OG 3.31Å
119F97.7Very high94.5Very high8 Ų868.7 Ų68.74%0.03538%0.381CS..PPolyproline II helixtrans-78.7146.9167-64.3-79000110.6T43 K44 V46 V52 M54 I92 S98 Y101 F117T43-F119 VanDerWaalsContact O-CE1 3.27Å; T43-F119 WeakPolarHBondContact O-CE1 3.5Å; K44-F119 CarbonylContact O-C 3.56Å; K44-F119 VanDerWaalsContact O-CA 3.3Å; K44-F119 WeakPolarHBondContact O-CA 3.41Å; V46-F119 HydrophobicContact CG1-CB 4.4Å; V46-F119 HydrophobicContact CG1-CD1 3.42Å; V46-F119 VanDerWaalsContact CG1-CD1 3.42Å; V46-F119 HydrophobicContact CG1-CE1 3.81Å; V46-F119 HydrophobicContact CG1-CG 4.05Å; V46-F119 HydrophobicContact CG2-CB 3.75Å; V46-F119 HydrophobicContact CG2-CD1 4.3Å; V46-F119 HydrophobicContact CG2-CG 4.12Å; V52-F119 HydrophobicContact CB-CE1 4.33Å; V52-F119 HydrophobicContact CB-CZ 3.98Å; V52-F119 HydrophobicContact CG1-CE1 4.14Å; V52-F119 HydrophobicContact CG1-CZ 4.22Å; V52-F119 HydrophobicContact CG2-CE1 4.33Å; V52-F119 HydrophobicContact CG2-CE2 3.98Å; V52-F119 HydrophobicContact CG2-CZ 3.58Å; M54-F119 HydrophobicContact SD-CE1 4.42Å; M54-F119 HydrophobicContact SD-CE2 3.68Å; M54-F119 HydrophobicContact SD-CZ 3.35Å; M54-F119 WeakPolarHBondContact SD-CZ 3.21Å; I92-F119 HydrophobicContact CD1-CD2 4.1Å; I92-F119 HydrophobicContact CD1-CE2 4.09Å; I92-F119 HydrophobicContact CG1-CD2 4.32Å; I92-F119 HydrophobicContact CG1-CE2 4.41Å; S98-F119 WeakPolarHBondContact CB-O 3.33Å; S98-F119 PolarHBondContact O-N 2.83Å; Y101-F119 HydrophobicContact CD2-CD2 4.39Å; Y101-F119 HydrophobicContact CD2-CE2 4.37Å; Y101-F119 AromaticContact CE2-CD2 3.9Å; Y101-F119 HydrophobicContact CE2-CD2 3.9Å; Y101-F119 AromaticContact CE2-CE2 3.97Å; Y101-F119 HydrophobicContact CE2-CE2 3.97Å; F117-F119 HydrophobicContact CD1-CE2 4.4Å; F117-F119 AromaticContact CE1-CD1 3.76Å; F117-F119 HydrophobicContact CE1-CD1 3.76Å; F117-F119 HydrophobicContact CE1-CD2 4Å; F117-F119 AromaticContact CE1-CE1 3.64Å; F117-F119 HydrophobicContact CE1-CE1 3.64Å; F117-F119 AromaticContact CE1-CE2 3.86Å; F117-F119 HydrophobicContact CE1-CE2 3.86Å; F117-F119 AromaticContact CE1-CG 3.96Å; F117-F119 HydrophobicContact CE1-CG 3.96Å; F117-F119 AromaticContact CE1-CZ 3.68Å; F117-F119 HydrophobicContact CE1-CZ 3.68Å; F117-F119 HydrophobicContact CZ-CD1 4.25Å; F117-F119 HydrophobicContact CZ-CE1 4.02Å; F117-F119 HydrophobicContact CZ-CZ 4.37Å
120T95.8Very high95.1Very high86 Ų8669 Ų6953%0.52838%0.378SS..EExtended strand (participates in β ladder)trans-90.5122.4162.1-58.20000107.8K44 V45 V46 V122K44-T120 PolarHBondContact O-N 3.05Å; V45-T120 WeakPolarHBondContact CA-O 3.36Å; V46-T120 PolarHBondContact N-O 2.9Å; T120-V122 HydrophobicContact CG2-CG1 4.42Å
121I94Very high95.5Very high42 Ų4273.3 Ų73.322%0.21540%0.4CS..EExtended strand (participates in β ladder)trans-88.4130.8176-66.7172.9000109V46 K48 I92 A95V46-I121 HydrophobicContact CG2-CG1 3.95Å; V46-I121 CarbonylContact O-C 3.56Å; V46-I121 VanDerWaalsContact O-CA 3.29Å; V46-I121 WeakPolarHBondContact O-CA 3.22Å; K48-I121 HydrophobicContact CG-CG2 4.17Å; I92-I121 HydrophobicContact CG2-CD1 4Å; I92-I121 HydrophobicContact CG2-CG1 4.45Å; A95-I121 VanDerWaalsContact CA-CD1 3.48Å; A95-I121 HydrophobicContact CB-CD1 4.44Å
122V93.9Very high95.4Very high41 Ų4176.4 Ų76.425%0.24841%0.412CS..  trans-122.5148175-65.70000110.5V45 V46 M47 T120 S153V45-V122 HydrophobicContact CG1-CB 4.14Å; V45-V122 HydrophobicContact CG1-CG1 3.56Å; V45-V122 HydrophobicContact CG1-CG2 3.44Å; V45-V122 VanDerWaalsContact CG1-CG2 3.44Å; V46-V122 PolarHBondContact O-N 2.84Å; M47-V122 HydrophobicContact CG-CG2 4.16Å; T120-V122 HydrophobicContact CG2-CG1 4.42Å; V122-S153 WeakPolarHBondContact CA-OG 3.31Å; V122-S153 VanDerWaalsContact CB-OG 3.27Å; V122-S153 WeakPolarHBondContact CB-OG 3.26Å
123D91.3Very high95.2Very high80 Ų8077.1 Ų77.143%0.42842%0.417SS..PPolyproline II helixtrans-90.6137.2173.2-63-45.2000109.2G152 S153D123-G152 CarbonylContact O-C 3.45Å; D123-G152 WeakPolarHBondContact O-CA 3.27Å; D123-S153 PolarHBondContact N-OG 3.09Å; D123-S153 PolarHBondContact O-N 3.37Å
124P91.1Very high94.6Very high77 Ų7774.8 Ų74.850%0.541%0.414SS..PPolyproline II helixtrans-64.9142.9175.626.8-33.3000110.8M47 T126 G152M47-P124 HydrophobicContact SD-CB 3.91Å; M47-P124 HydrophobicContact SD-CG 4.42Å; P124-T126 PolarHBondContact O-N 3.45Å; P124-G152 VanDerWaalsContact O-CA 3.25Å; P124-G152 WeakPolarHBondContact O-CA 3.29Å; P124-G152 PolarHBondContact O-N 2.91Å
125V93.9Very high93.9Very high81 Ų8178.7 Ų78.749%0.49143%0.434SS..PPolyproline II helixtrans-70.6121.1173.8-175.70000108.8S149 N151 I156V125-S149 WeakPolarHBondContact CG1-OG 2.99Å; V125-N151 WeakPolarHBondContact CA-O 3.32Å; V125-I156 HydrophobicContact CG1-CD1 4.07Å; V125-I156 HydrophobicContact CG1-CG1 4.41Å; V125-I156 HydrophobicContact CG1-CG2 3.99Å; V125-I156 HydrophobicContact CG2-CD1 4.2Å; V125-I156 HydrophobicContact CG2-CG1 3.96Å; V125-I156 HydrophobicContact CG2-CG2 4.5Å
126T94.8Very high93.1Very high49 Ų4975.2 Ų75.230%0.30143%0.427SS..PPolyproline II helixtrans-74.1156.4173.846.70000111.1P124 S149 V150 N151P124-T126 PolarHBondContact O-N 3.45Å; T126-S149 WeakPolarHBondContact O-CB 2.94Å; T126-S149 PolarHBondContact O-OG 2.83Å; T126-V150 PolarHBondContact OG1-N 3.15Å; T126-N151 HydrophobicContact CG2-CB 3.69Å; T126-N151 PolarHBondContact N-O 2.83Å; T126-N151 VanDerWaalsContact N-O 3.11Å; T126-N151 PolarHBondContact OG1-N 3.35Å; T126-N151 PolarHBondContact OG1-O 3.35Å
127S95.6Very high91.9Very high109 Ų10974.1 Ų74.176%0.76242%0.424SS*.  trans-46123.9172.1-60.20000110.5
128P95.9Very high90.8Very high74 Ų7483.1 Ų83.148%0.48147%0.466SS..  trans-70.5142.6-178.427.8-33.5000110.6C147 L148 Y158P128-C147 VanDerWaalsContact CB-SG 3.52Å; P128-L148 WeakPolarHBondContact CA-O 2.67Å; P128-Y158 HydrophobicContact CB-CD1 4.49Å; P128-Y158 HydrophobicContact CB-CE1 4.22Å
129V95.6Very high89.8Confident80 Ų8085.9 Ų85.949%0.48548%0.481SS..EExtended strand (participates in β ladder)trans-88.8126.3169.4-177.90000107.9C147 L148V129-C147 WeakPolarHBondContact O-CA 2.95Å; V129-L148 PolarHBondContact N-O 2.95Å; V129-L148 PolarHBondContact O-N 3.36Å
130L94.8Very high88.6Confident76 Ų7689.9 Ų89.940%0.39850%0.502SS..EExtended strand (participates in β ladder)trans-101.8115.1177.2-177.866.8000109.6L145 H146 C147 F160L130-L145 HydrophobicContact CD1-CB 3.96Å; L130-H146 WeakPolarHBondContact CA-O 3.37Å; L130-C147 HydrophobicContact CD1-CB 4.45Å; L130-F160 HydrophobicContact CD2-CE2 4.02Å
131N94.1Very high87.9Confident101 Ų10192.2 Ų92.254%0.5450%0.501SS..EExtended strand (participates in β ladder)trans-105135.1172.4-70.5-12.6000109.7L145 H146N131-L145 WeakPolarHBondContact O-CA 3.43Å; N131-H146 HydrophobicContact CB-CB 4.25Å; N131-H146 PolarHBondContact N-O 3.25Å; N131-H146 PolarHBondContact O-N 2.74Å
132I92.2Very high87.4Confident113 Ų11394.2 Ų94.258%0.57951%0.51SS*.EExtended strand (participates in β ladder)trans-111.2121.2-176.6-51.6-176.6000108.5V134 I143 L145I132-V134 HydrophobicContact CG2-CG2 3.95Å; I132-I143 HydrophobicContact CG2-CG2 4Å; I132-L145 HydrophobicContact CB-CD2 4.12Å; I132-L145 HydrophobicContact CD1-CD2 4.29Å; I132-L145 HydrophobicContact CG1-CD2 3.71Å; I132-L145 HydrophobicContact CG2-CD2 3.84Å
133M89.8Confident87.1Confident92 Ų9293.8 Ų93.845%0.45351%0.506SS..EExtended strand (participates in β ladder)trans-105.8126.4169.9-169.5-176.8-58.500108.8I135 I143 T144M133-I135 HydrophobicContact CG-CG1 4.5Å; M133-I135 HydrophobicContact SD-CD1 4.38Å; M133-I143 WeakPolarHBondContact O-CA 3.42Å; M133-T144 PolarHBondContact N-O 2.94Å; M133-T144 PolarHBondContact O-N 3.08Å
134V86.6Confident87.1Confident61 Ų6191 Ų9137%0.3749%0.491SS..EExtended strand (participates in β ladder)trans-119.2120.4176.9-176.20000108.1I132 R141 I143I132-V134 HydrophobicContact CG2-CG2 3.95Å; V134-R141 HydrophobicContact CG1-CG 3.94Å; V134-I143 HydrophobicContact CG2-CG1 4.42Å
135I83.3Confident87.2Confident90 Ų9087.5 Ų87.546%0.46247%0.468SS..EExtended strand (participates in β ladder)trans-109.5118.5171.8-57.5173.4000106.9M133 H142M133-I135 HydrophobicContact CG-CG1 4.5Å; M133-I135 HydrophobicContact SD-CD1 4.38Å; I135-H142 HydrophobicContact CB-CB 4.41Å; I135-H142 PolarHBondContact N-O 2.04Å; I135-H142 PolarHBondContact O-N 2.88Å
136Q80.8Confident87.3Confident154 Ų15485.6 Ų85.672%0.7245%0.454SS*.EExtended strand (participates in β ladder)trans-109.1123.7178.9-171.3165.1-2.200109.4
137T73.7Confident87.3Confident67 Ų6784 Ų8441%0.41145%0.445SS..  trans-108.3172.8169.567.70000109.3T139 D140T137-T139 PolarHBondContact O-N 2.92Å; T137-T139 VanDerWaalsContact O-N 3.13Å; T137-D140 PolarHBondContact N-O 2.8Å; T137-D140 PolarHBondContact OG1-N 2.72Å; T137-D140 PolarHBondContact OG1-O 3Å
138E73.9Confident87.4Confident203 Ų20381.2 Ų81.295%0.94942%0.421SS*.SBendtrans-53.1-30.6177.7-68.5-93.9143.800112.9
139T76.6Confident87.4Confident120 Ų12077.8 Ų77.874%0.73640%0.399SS*.SBendtrans-118.2-22.1-174.855.50000114.8T137T137-T139 PolarHBondContact O-N 2.92Å; T137-T139 VanDerWaalsContact O-N 3.13Å
140D73.9Confident87.3Confident91 Ų9178.8 Ų78.849%0.48741%0.405SS..  trans-134.9150-169.6-65.5-55.7000113.5T137T137-D140 PolarHBondContact N-O 2.8Å; T137-D140 PolarHBondContact OG1-N 2.72Å; T137-D140 PolarHBondContact OG1-O 3Å
141R79.8Confident87.2Confident136 Ų13679.4 Ų79.451%0.51341%0.408SS..EExtended strand (participates in β ladder)trans-118.1108.1171.1-173.8176.1177.71550.6109.7V134 I143V134-R141 HydrophobicContact CG1-CG 3.94Å; R141-I143 HydrophobicContact CG-CG1 4.16Å
142H84.6Confident87.2Confident84 Ų8474.6 Ų74.639%0.38938%0.383SS..EExtended strand (participates in β ladder)trans-95.7121.2175.5-65.582000108.9I135I135-H142 HydrophobicContact CB-CB 4.41Å; I135-H142 PolarHBondContact N-O 2.04Å; I135-H142 PolarHBondContact O-N 2.88Å
143I87.8Confident87.3Confident32 Ų3271.1 Ų71.116%0.16437%0.368CS..EExtended strand (participates in β ladder)trans-112.2120.2177.7-55.9176.1000107.8I132 M133 V134 R141 L145 L183I132-I143 HydrophobicContact CG2-CG2 4Å; M133-I143 WeakPolarHBondContact O-CA 3.42Å; V134-I143 HydrophobicContact CG2-CG1 4.42Å; R141-I143 HydrophobicContact CG-CG1 4.16Å; I143-L145 HydrophobicContact CG2-CD2 4Å; I143-L145 HydrophobicContact CG2-CG 4.44Å; I143-L183 HydrophobicContact CB-CB 4.32Å; I143-L183 PolarHBondContact N-O 3.08Å; I143-L183 PolarHBondContact O-N 3.38Å
144T91.4Very high87.5Confident20 Ų2070 Ų7012%0.12336%0.364CS..EExtended strand (participates in β ladder)trans-113.7129.3173.9-56.60000108.8M133 H146 F181 N182M133-T144 PolarHBondContact N-O 2.94Å; M133-T144 PolarHBondContact O-N 3.08Å; T144-H146 WeakPolarHBondContact CG2-NE2 3.24Å; T144-F181 WeakPolarHBondContact CA-O 3.48Å; T144-N182 VanDerWaalsContact CG2-OD1 3.3Å; T144-N182 WeakPolarHBondContact CG2-OD1 3.18Å; T144-N182 PolarHBondContact OG1-OD1 3.21Å
145L93Very high87.9Confident5 Ų570 Ų703%0.02637%0.365CS..EExtended strand (participates in β ladder)trans-109.7123.6-179.5-57.3178.9000109.4L130 N131 I132 I143 F160 E180 F181 L183L130-L145 HydrophobicContact CD1-CB 3.96Å; N131-L145 WeakPolarHBondContact O-CA 3.43Å; I132-L145 HydrophobicContact CB-CD2 4.12Å; I132-L145 HydrophobicContact CD1-CD2 4.29Å; I132-L145 HydrophobicContact CG1-CD2 3.71Å; I132-L145 HydrophobicContact CG2-CD2 3.84Å; I143-L145 HydrophobicContact CG2-CD2 4Å; I143-L145 HydrophobicContact CG2-CG 4.44Å; L145-F160 HydrophobicContact CD1-CD1 3.78Å; L145-F160 HydrophobicContact CD1-CD2 3.71Å; L145-F160 HydrophobicContact CD1-CE1 3.45Å; L145-F160 VanDerWaalsContact CD1-CE1 3.45Å; L145-F160 HydrophobicContact CD1-CE2 3.38Å; L145-F160 HydrophobicContact CD1-CG 3.93Å; L145-F160 HydrophobicContact CD1-CZ 3.26Å; L145-E180 CarbonylContact O-C 3.55Å; L145-E180 WeakPolarHBondContact O-CA 3.27Å; L145-F181 HydrophobicContact CB-CB 4.18Å; L145-F181 HydrophobicContact CB-CD2 4.49Å; L145-F181 PolarHBondContact N-O 3.16Å; L145-F181 PolarHBondContact O-N 2.95Å; L145-L183 HydrophobicContact CD1-CD1 3.46Å; L145-L183 VanDerWaalsContact CD1-CD1 3.46Å; L145-L183 HydrophobicContact CD1-CG 4.07Å; L145-L183 HydrophobicContact CG-CD1 4.12Å; L145-L183 HydrophobicContact CG-CG 4.49Å
146H95.3Very high88.6Confident41 Ų4166.1 Ų66.119%0.1935%0.345CS..EExtended strand (participates in β ladder)trans-105.3121.2176.9-68.5-166.2000108.5L130 N131 T144 P178 A179 E180L130-H146 WeakPolarHBondContact CA-O 3.37Å; N131-H146 HydrophobicContact CB-CB 4.25Å; N131-H146 PolarHBondContact N-O 3.25Å; N131-H146 PolarHBondContact O-N 2.74Å; T144-H146 WeakPolarHBondContact CG2-NE2 3.24Å; H146-P178 HydrophobicContact CB-CB 3.88Å; H146-A179 WeakPolarHBondContact CA-O 3.38Å; H146-E180 IonicContact CE1-OE1 3.68Å; H146-E180 IonicContact NE2-OE1 3.7Å
147C95.6Very high89.3Confident15 Ų1563.6 Ų63.610%0.10134%0.337CS..EExtended strand (participates in β ladder)trans-116.9123-177.9-161.10000109.7P128 V129 L130 Y158 P178 A179 F181P128-C147 VanDerWaalsContact CB-SG 3.52Å; V129-C147 WeakPolarHBondContact O-CA 2.95Å; L130-C147 HydrophobicContact CD1-CB 4.45Å; C147-Y158 HydrophobicContact CB-CD1 3.97Å; C147-Y158 HydrophobicContact CB-CG 4.49Å; C147-Y158 VanDerWaalsContact SG-CD1 3.56Å; C147-P178 CarbonylContact O-C 3.59Å; C147-P178 WeakPolarHBondContact O-CA 3.06Å; C147-A179 PolarHBondContact N-O 2.9Å; C147-A179 PolarHBondContact O-N 2.97Å; C147-F181 HydrophobicContact CB-CD2 4.49Å; C147-F181 HydrophobicContact CB-CE2 3.9Å
148L96.5Very high90.4Very high51 Ų5160.9 Ų60.927%0.26732%0.319SS..EExtended strand (participates in β ladder)trans-140.1128.7-178.1178.865.3000111.7P128 V129 R176 P178P128-L148 WeakPolarHBondContact CA-O 2.67Å; V129-L148 PolarHBondContact N-O 2.95Å; V129-L148 PolarHBondContact O-N 3.36Å; L148-R176 WeakPolarHBondContact CD1-O 3.26Å; L148-P178 HydrophobicContact CB-CB 4.34Å; L148-P178 HydrophobicContact CB-CG 4.36Å; L148-P178 HydrophobicContact CD2-CG 4.47Å
149S96.8Very high91.5Very high2 Ų253.6 Ų53.61%0.01429%0.289CS..  trans-97.6122.5166.5-69.60000110.2V125 T126 N151 Y158V125-S149 WeakPolarHBondContact CG1-OG 2.99Å; T126-S149 WeakPolarHBondContact O-CB 2.94Å; T126-S149 PolarHBondContact O-OG 2.83Å; S149-N151 PolarHBondContact O-N 2.9Å; S149-Y158 PolarHBondContact N-OH 2.76Å
150V92.9Very high92.2Very high100 Ų10049.7 Ų49.761%0.60626%0.262SS*.SBendtrans-61.7-42.5-179.4179.90000111.5T126T126-V150 PolarHBondContact OG1-N 3.15Å
151N92.9Very high93.1Very high89 Ų8951 Ų5148%0.47626%0.263SS..SBendtrans-118.5161.4178.2-60.1-46.1000111.8V125 T126 S149V125-N151 WeakPolarHBondContact CA-O 3.32Å; T126-N151 HydrophobicContact CG2-CB 3.69Å; T126-N151 PolarHBondContact N-O 2.83Å; T126-N151 VanDerWaalsContact N-O 3.11Å; T126-N151 PolarHBondContact OG1-N 3.35Å; T126-N151 PolarHBondContact OG1-O 3.35Å; S149-N151 PolarHBondContact O-N 2.9Å
152G93.3Very high93.6Very high0 Ų049.7 Ų49.70%026%0.263CS..SBendtrans132.413817400000112.8D123 P124 L154 R176D123-G152 CarbonylContact O-C 3.45Å; D123-G152 WeakPolarHBondContact O-CA 3.27Å; P124-G152 VanDerWaalsContact O-CA 3.25Å; P124-G152 WeakPolarHBondContact O-CA 3.29Å; P124-G152 PolarHBondContact O-N 2.91Å; G152-L154 PolarHBondContact O-N 2.75Å; G152-R176 PolarHBondContact O-NH1 2.94Å; G152-R176 PolarHBondContact O-NH2 3.17Å
153S94.3Very high94Very high40 Ų4052.5 Ų52.528%0.2828%0.281SS..PPolyproline II helixtrans-62.4136.4177.8-690000112V122 D123V122-S153 WeakPolarHBondContact CA-OG 3.31Å; V122-S153 VanDerWaalsContact CB-OG 3.27Å; V122-S153 WeakPolarHBondContact CB-OG 3.26Å; D123-S153 PolarHBondContact N-OG 3.09Å; D123-S153 PolarHBondContact O-N 3.37Å
154L94.4Very high94.2Very high70 Ų7059.9 Ų59.937%0.36631%0.314SS..SBendtrans-82151.1179.7-65.7164.2000110.7G152 I156 K173 Y174 D175G152-L154 PolarHBondContact O-N 2.75Å; L154-I156 HydrophobicContact CD2-CD1 4.22Å; L154-I156 HydrophobicContact CD2-CG1 4.13Å; L154-K173 WeakPolarHBondContact CD2-O 3.49Å; L154-Y174 WeakPolarHBondContact CD1-O 3.39Å; L154-D175 VanDerWaalsContact CD2-O 3.3Å; L154-D175 WeakPolarHBondContact CD2-O 3.2Å
155P96.1Very high94.4Very high61 Ų6163.3 Ų63.340%0.39634%0.335SS..PPolyproline II helixcis-76.2149-2.231-34.5000113.4K173 Y174P155-K173 CarbonylContact C-O 3.5Å; P155-K173 WeakPolarHBondContact CA-O 3.45Å; P155-K173 WeakPolarHBondContact CB-O 3.45Å; P155-Y174 HydrophobicContact CB-CD1 3.66Å; P155-Y174 HydrophobicContact CB-CD2 4.28Å; P155-Y174 HydrophobicContact CB-CE1 3.6Å; P155-Y174 HydrophobicContact CB-CE2 4.22Å; P155-Y174 HydrophobicContact CB-CG 4Å; P155-Y174 HydrophobicContact CG-CD1 4.06Å; P155-Y174 HydrophobicContact CG-CE1 3.6Å
156I96.8Very high94.4Very high7 Ų765.7 Ų65.74%0.03636%0.355CS..EExtended strand (participates in β ladder)trans-104.1131.3171.6-62.5170.2000108.8V125 L154 Y158 S172 K173 R176V125-I156 HydrophobicContact CG1-CD1 4.07Å; V125-I156 HydrophobicContact CG1-CG1 4.41Å; V125-I156 HydrophobicContact CG1-CG2 3.99Å; V125-I156 HydrophobicContact CG2-CD1 4.2Å; V125-I156 HydrophobicContact CG2-CG1 3.96Å; V125-I156 HydrophobicContact CG2-CG2 4.5Å; L154-I156 HydrophobicContact CD2-CD1 4.22Å; L154-I156 HydrophobicContact CD2-CG1 4.13Å; I156-Y158 HydrophobicContact CB-CE2 3.87Å; I156-Y158 HydrophobicContact CG2-CD1 4.44Å; I156-Y158 HydrophobicContact CG2-CD2 4.11Å; I156-Y158 HydrophobicContact CG2-CE1 3.97Å; I156-Y158 HydrophobicContact CG2-CE2 3.6Å; I156-S172 WeakPolarHBondContact O-CA 3.18Å; I156-K173 PolarHBondContact N-O 2.81Å; I156-K173 PolarHBondContact O-N 3Å; I156-R176 VanDerWaalsContact CD1-NH1 3.31Å
157N96.8Very high94.3Very high102 Ų10267.3 Ų67.355%0.54537%0.365SS..EExtended strand (participates in β ladder)trans-96.7123.9175.5-65.7-21000109.7I171 S172N157-I171 WeakPolarHBondContact CA-O 3.4Å; N157-S172 VanDerWaalsContact OD1-CB 3.29Å; N157-S172 WeakPolarHBondContact OD1-CB 3.46Å; N157-S172 PolarHBondContact OD1-OG 3.14Å
158Y96.4Very high94.1Very high9 Ų967.5 Ų67.54%0.03537%0.366CS..EExtended strand (participates in β ladder)trans-108.1133.3176.6-61-89.1000109.7P128 C147 S149 I156 A170 I171 K173 A179 F181P128-Y158 HydrophobicContact CB-CD1 4.49Å; P128-Y158 HydrophobicContact CB-CE1 4.22Å; C147-Y158 HydrophobicContact CB-CD1 3.97Å; C147-Y158 HydrophobicContact CB-CG 4.49Å; C147-Y158 VanDerWaalsContact SG-CD1 3.56Å; S149-Y158 PolarHBondContact N-OH 2.76Å; I156-Y158 HydrophobicContact CB-CE2 3.87Å; I156-Y158 HydrophobicContact CG2-CD1 4.44Å; I156-Y158 HydrophobicContact CG2-CD2 4.11Å; I156-Y158 HydrophobicContact CG2-CE1 3.97Å; I156-Y158 HydrophobicContact CG2-CE2 3.6Å; Y158-A170 CarbonylContact O-C 3.58Å; Y158-A170 VanDerWaalsContact O-CA 3.28Å; Y158-A170 WeakPolarHBondContact O-CA 3.32Å; Y158-I171 PolarHBondContact N-O 3.29Å; Y158-I171 PolarHBondContact O-N 3.42Å; Y158-K173 HydrophobicContact CD2-CB 4.38Å; Y158-K173 HydrophobicContact CD2-CG 3.86Å; Y158-K173 HydrophobicContact CE2-CB 3.9Å; Y158-K173 HydrophobicContact CE2-CG 3.7Å; Y158-A179 HydrophobicContact CD2-CB 3.53Å; Y158-A179 HydrophobicContact CE2-CB 4.27Å; Y158-A179 HydrophobicContact CG-CB 3.65Å; Y158-F181 WeakPolarHBondContact O-CZ 3.16Å
159T95.4Very high93.9Very high51 Ų5170.2 Ų70.231%0.31339%0.387SS..  trans-132.6133.2174.9-55.90000108.3F161 A166 A170T159-F161 HydrophobicContact CG2-CD2 4.14Å; T159-F161 HydrophobicContact CG2-CE2 3.58Å; T159-F161 HydrophobicContact CG2-CZ 3.85Å; T159-F161 WeakPolarHBondContact O-CD2 3.3Å; T159-A166 HydrophobicContact CG2-CB 3.98Å; T159-A170 WeakPolarHBondContact OG1-CB 3.28Å
160F93Very high93.8Very high38 Ų3873 Ų7317%0.16741%0.41CS..  trans-90.6128.7177.7-170.1-116.8000110.8L130 L145 I167 S168 F181 L183L130-F160 HydrophobicContact CD2-CE2 4.02Å; L145-F160 HydrophobicContact CD1-CD1 3.78Å; L145-F160 HydrophobicContact CD1-CD2 3.71Å; L145-F160 HydrophobicContact CD1-CE1 3.45Å; L145-F160 VanDerWaalsContact CD1-CE1 3.45Å; L145-F160 HydrophobicContact CD1-CE2 3.38Å; L145-F160 HydrophobicContact CD1-CG 3.93Å; L145-F160 HydrophobicContact CD1-CZ 3.26Å; F160-I167 HydrophobicContact CD1-CD1 3.39Å; F160-I167 HydrophobicContact CD1-CG1 3.53Å; F160-I167 HydrophobicContact CE1-CD1 3.42Å; F160-I167 VanDerWaalsContact CE1-CD1 3.42Å; F160-I167 HydrophobicContact CE1-CG1 4.06Å; F160-I167 HydrophobicContact CG-CG1 4.48Å; F160-I167 PolarHBondContact O-N 3.39Å; F160-S168 WeakPolarHBondContact CB-OG 3.44Å; F160-S168 PolarHBondContact N-OG 3.47Å; F160-F181 HydrophobicContact CB-CD1 4.02Å; F160-F181 HydrophobicContact CB-CD2 4.35Å; F160-F181 HydrophobicContact CB-CE1 4.2Å; F160-F181 HydrophobicContact CB-CG 4.1Å; F160-F181 HydrophobicContact CB-CZ 4.43Å; F160-L183 HydrophobicContact CD1-CD1 4.23Å; F160-L183 HydrophobicContact CD1-CD2 4.31Å; F160-L183 HydrophobicContact CE1-CD1 3.67Å; F160-L183 HydrophobicContact CE1-CD2 4.49Å; F160-L183 HydrophobicContact CZ-CD1 4.39Å
161F92.2Very high94Very high117 Ų11770.7 Ų70.751%0.51339%0.393SS..EExtended strand (participates in β ladder)trans-118.8135.4-180-67.6-98.4000110.5T159 V165 A166T159-F161 HydrophobicContact CG2-CD2 4.14Å; T159-F161 HydrophobicContact CG2-CE2 3.58Å; T159-F161 HydrophobicContact CG2-CZ 3.85Å; T159-F161 WeakPolarHBondContact O-CD2 3.3Å; F161-V165 CarbonylContact C-O 3.49Å; F161-V165 VanDerWaalsContact CA-O 3.23Å; F161-V165 WeakPolarHBondContact CA-O 3.43Å; F161-A166 HydrophobicContact CD1-CB 3.93Å; F161-A166 HydrophobicContact CE1-CB 3.65Å; F161-A166 HydrophobicContact CZ-CB 4.17Å
162E90.1Very high94.2Very high110 Ų11069 Ų6951%0.51439%0.389SS..EExtended strand (participates in β ladder)trans-118.9125.3168-177.2177.5-12000107.9H164 V165 I167E162-H164 PolarHBondContact O-N 2.89Å; E162-V165 PolarHBondContact N-O 2.95Å; E162-V165 WeakPolarHBondContact O-CB 3.15Å; E162-V165 PolarHBondContact O-N 2.93Å; E162-I167 HydrophobicContact CB-CD1 3.82Å; E162-I167 HydrophobicContact CB-CG1 4.3Å; E162-I167 HydrophobicContact CB-CG2 4.21Å
163N92.7Very high94.4Very high143 Ų14371 Ų7177%0.76540%0.397SS*.THydrogen-bonded Turntrans49.642.8-177.2-58.6-34.9000113.7V165N163-V165 PolarHBondContact O-N 2.81Å
164H92.6Very high94.5Very high187 Ų18777.2 Ų77.287%0.86642%0.416SS*.THydrogen-bonded Turntrans65.38.5-175.8-50.9-73.9000115.9E162E162-H164 PolarHBondContact O-N 2.89Å
165V94.8Very high94.6Very high92 Ų9277.4 Ų77.456%0.55842%0.417SS*.EExtended strand (participates in β ladder)trans-100.1126.3173.9-177.60000109.1F161 E162 N163 I167F161-V165 CarbonylContact C-O 3.49Å; F161-V165 VanDerWaalsContact CA-O 3.23Å; F161-V165 WeakPolarHBondContact CA-O 3.43Å; E162-V165 PolarHBondContact N-O 2.95Å; E162-V165 WeakPolarHBondContact O-CB 3.15Å; E162-V165 PolarHBondContact O-N 2.93Å; N163-V165 PolarHBondContact O-N 2.81Å; V165-I167 HydrophobicContact CG1-CG2 4.42Å; V165-I167 PolarHBondContact O-N 3.09Å
166A93.7Very high94.5Very high55 Ų5579.2 Ų79.246%0.45542%0.416SS..EExtended strand (participates in β ladder)trans-68.6115.7173.200000109T159 F161T159-A166 HydrophobicContact CG2-CB 3.98Å; F161-A166 HydrophobicContact CD1-CB 3.93Å; F161-A166 HydrophobicContact CE1-CB 3.65Å; F161-A166 HydrophobicContact CZ-CB 4.17Å
167I92.4Very high94.4Very high75 Ų7584.3 Ų84.339%0.38544%0.44SS..  trans-106.81.6-179.859.5163.1000112.5F160 E162 V165 L183F160-I167 HydrophobicContact CD1-CD1 3.39Å; F160-I167 HydrophobicContact CD1-CG1 3.53Å; F160-I167 HydrophobicContact CE1-CD1 3.42Å; F160-I167 VanDerWaalsContact CE1-CD1 3.42Å; F160-I167 HydrophobicContact CE1-CG1 4.06Å; F160-I167 HydrophobicContact CG-CG1 4.48Å; F160-I167 PolarHBondContact O-N 3.39Å; E162-I167 HydrophobicContact CB-CD1 3.82Å; E162-I167 HydrophobicContact CB-CG1 4.3Å; E162-I167 HydrophobicContact CB-CG2 4.21Å; V165-I167 HydrophobicContact CG1-CG2 4.42Å; V165-I167 PolarHBondContact O-N 3.09Å; I167-L183 HydrophobicContact CD1-CD2 4.18Å
168S91.3Very high94.3Very high19 Ų1981.1 Ų81.113%0.13342%0.424CS..SBendtrans-131.5154.4172.979.40000111.2F160 F181F160-S168 WeakPolarHBondContact CB-OG 3.44Å; F160-S168 PolarHBondContact N-OG 3.47Å; S168-F181 WeakPolarHBondContact OG-CD1 3.22Å; S168-F181 WeakPolarHBondContact OG-CE1 3.48Å
169P92.7Very high94.4Very high108 Ų10880.7 Ų80.770%0.70142%0.423SS*.  trans-63.5161.5160.329.9-34.3000110.4
170A95.6Very high94.4Very high60 Ų6083.5 Ų83.550%0.49643%0.433SS..  trans-72.4134.4173.300000110.5Y158 T159Y158-A170 CarbonylContact O-C 3.58Å; Y158-A170 VanDerWaalsContact O-CA 3.28Å; Y158-A170 WeakPolarHBondContact O-CA 3.32Å; T159-A170 WeakPolarHBondContact OG1-CB 3.28Å
171I96.5Very high94.4Very high51 Ų5182.2 Ų82.226%0.26243%0.427SS..EExtended strand (participates in β ladder)trans-105.5119172-60.5177.6000108.1N157 Y158 K173 A179 E180 F181N157-I171 WeakPolarHBondContact CA-O 3.4Å; Y158-I171 PolarHBondContact N-O 3.29Å; Y158-I171 PolarHBondContact O-N 3.42Å; I171-K173 HydrophobicContact CG2-CD 4.19Å; I171-K173 HydrophobicContact CG2-CG 4.49Å; I171-A179 HydrophobicContact CB-CB 4.11Å; I171-A179 HydrophobicContact CD1-CB 4.49Å; I171-A179 HydrophobicContact CG2-CB 3.95Å; I171-E180 WeakPolarHBondContact CD1-O 3.26Å; I171-F181 HydrophobicContact CB-CZ 4.49Å; I171-F181 HydrophobicContact CD1-CD1 3.76Å; I171-F181 HydrophobicContact CD1-CE1 3.56Å; I171-F181 HydrophobicContact CD1-CG 4.35Å; I171-F181 HydrophobicContact CD1-CZ 4Å; I171-F181 HydrophobicContact CG1-CD1 4.47Å; I171-F181 HydrophobicContact CG1-CE1 3.85Å; I171-F181 HydrophobicContact CG1-CZ 4.29Å
172S97.3Very high94.3Very high54 Ų5482 Ų8238%0.37843%0.431SS..EExtended strand (participates in β ladder)trans-87.9125.4174-57.80000110.6I156 N157I156-S172 WeakPolarHBondContact O-CA 3.18Å; N157-S172 VanDerWaalsContact OD1-CB 3.29Å; N157-S172 WeakPolarHBondContact OD1-CB 3.46Å; N157-S172 PolarHBondContact OD1-OG 3.14Å
173K97.5Very high94Very high41 Ų4179.3 Ų79.318%0.17842%0.42CS..EExtended strand (participates in β ladder)trans-109.4125.1173.2-64-62.9-55.3-177.10109.8L154 P155 I156 Y158 I171 D175 E177 A179L154-K173 WeakPolarHBondContact CD2-O 3.49Å; P155-K173 CarbonylContact C-O 3.5Å; P155-K173 WeakPolarHBondContact CA-O 3.45Å; P155-K173 WeakPolarHBondContact CB-O 3.45Å; I156-K173 PolarHBondContact N-O 2.81Å; I156-K173 PolarHBondContact O-N 3Å; Y158-K173 HydrophobicContact CD2-CB 4.38Å; Y158-K173 HydrophobicContact CD2-CG 3.86Å; Y158-K173 HydrophobicContact CE2-CB 3.9Å; Y158-K173 HydrophobicContact CE2-CG 3.7Å; I171-K173 HydrophobicContact CG2-CD 4.19Å; I171-K173 HydrophobicContact CG2-CG 4.49Å; K173-D175 WeakPolarHBondContact CE-OD1 3.01Å; K173-D175 IonicContact NZ-OD1 2.77Å; K173-D175 PolarHBondContact NZ-OD1 3.12Å; K173-D175 IonicContact NZ-OD2 3.21Å; K173-E177 VanDerWaalsContact CE-O 3.28Å; K173-E177 WeakPolarHBondContact CE-O 3.5Å; K173-A179 HydrophobicContact CD-CB 4.41Å; K173-A179 HydrophobicContact CG-CB 4.06Å
174Y96.9Very high92.9Very high171 Ų17177.5 Ų77.567%0.67141%0.414SS*.SBendtrans-99.30178-68-95.4000112.6L154 P155L154-Y174 WeakPolarHBondContact CD1-O 3.39Å; P155-Y174 HydrophobicContact CB-CD1 3.66Å; P155-Y174 HydrophobicContact CB-CD2 4.28Å; P155-Y174 HydrophobicContact CB-CE1 3.6Å; P155-Y174 HydrophobicContact CB-CE2 4.22Å; P155-Y174 HydrophobicContact CB-CG 4Å; P155-Y174 HydrophobicContact CG-CD1 4.06Å; P155-Y174 HydrophobicContact CG-CE1 3.6Å
175D95.1Very high91.3Very high74 Ų7476.9 Ų76.940%0.39641%0.409SS..SBendtrans-127.9-179.4176.453.422000109.2L154 K173 E177L154-D175 VanDerWaalsContact CD2-O 3.3Å; L154-D175 WeakPolarHBondContact CD2-O 3.2Å; K173-D175 WeakPolarHBondContact CE-OD1 3.01Å; K173-D175 IonicContact NZ-OD1 2.77Å; K173-D175 PolarHBondContact NZ-OD1 3.12Å; K173-D175 IonicContact NZ-OD2 3.21Å; D175-E177 PolarHBondContact O-N 2.93Å; D175-E177 WeakPolarHBondContact OD1-CB 2.96Å; D175-E177 PolarHBondContact OD1-N 3.36Å
176R94.1Very high89.2Confident100 Ų10085.5 Ų85.538%0.37744%0.439SS..SBendtrans-92.429.1178.2-66.2-63.6-171.8-159.6-7.4112.7L148 G152 I156L148-R176 WeakPolarHBondContact CD1-O 3.26Å; G152-R176 PolarHBondContact O-NH1 2.94Å; G152-R176 PolarHBondContact O-NH2 3.17Å; I156-R176 VanDerWaalsContact CD1-NH1 3.31Å
177E95.2Very high88.9Confident114 Ų11487 Ų8753%0.53344%0.438SS..SBendtrans-89.2151.2174.6-64.3-58144.700110.9K173 D175K173-E177 VanDerWaalsContact CE-O 3.28Å; K173-E177 WeakPolarHBondContact CE-O 3.5Å; D175-E177 PolarHBondContact O-N 2.93Å; D175-E177 WeakPolarHBondContact OD1-CB 2.96Å; D175-E177 PolarHBondContact OD1-N 3.36Å
178P96.1Very high88.8Confident34 Ų3487.6 Ų87.622%0.22144%0.441CS..PPolyproline II helixtrans-60146.6174.4-20.231.7000112.1H146 C147 L148H146-P178 HydrophobicContact CB-CB 3.88Å; C147-P178 CarbonylContact O-C 3.59Å; C147-P178 WeakPolarHBondContact O-CA 3.06Å; L148-P178 HydrophobicContact CB-CB 4.34Å; L148-P178 HydrophobicContact CB-CG 4.36Å; L148-P178 HydrophobicContact CD2-CG 4.47Å
179A96.7Very high88.6Confident1 Ų191.4 Ų91.41%0.00846%0.458CS..EExtended strand (participates in β ladder)trans-80.2128.7161.200000109.2H146 C147 Y158 I171 K173 F181H146-A179 WeakPolarHBondContact CA-O 3.38Å; C147-A179 PolarHBondContact N-O 2.9Å; C147-A179 PolarHBondContact O-N 2.97Å; Y158-A179 HydrophobicContact CD2-CB 3.53Å; Y158-A179 HydrophobicContact CE2-CB 4.27Å; Y158-A179 HydrophobicContact CG-CB 3.65Å; I171-A179 HydrophobicContact CB-CB 4.11Å; I171-A179 HydrophobicContact CD1-CB 4.49Å; I171-A179 HydrophobicContact CG2-CB 3.95Å; K173-A179 HydrophobicContact CD-CB 4.41Å; K173-A179 HydrophobicContact CG-CB 4.06Å; A179-F181 HydrophobicContact CB-CE2 3.99Å; A179-F181 HydrophobicContact CB-CZ 4.26Å
180E95.6Very high88.4Confident110 Ų11090.5 Ų90.551%0.51444%0.444SS..EExtended strand (participates in β ladder)trans-102.4120.5-178.1-60.5-174.3174.700110.7L145 H146 I171L145-E180 CarbonylContact O-C 3.55Å; L145-E180 WeakPolarHBondContact O-CA 3.27Å; H146-E180 IonicContact CE1-OE1 3.68Å; H146-E180 IonicContact NE2-OE1 3.7Å; I171-E180 WeakPolarHBondContact CD1-O 3.26Å
181F93.8Very high87.9Confident11 Ų1192.4 Ų92.45%0.04844%0.441CS..EExtended strand (participates in β ladder)trans-110.1120172.4-53.4-90.1000109.4T144 L145 C147 Y158 F160 S168 I171 A179T144-F181 WeakPolarHBondContact CA-O 3.48Å; L145-F181 HydrophobicContact CB-CB 4.18Å; L145-F181 HydrophobicContact CB-CD2 4.49Å; L145-F181 PolarHBondContact N-O 3.16Å; L145-F181 PolarHBondContact O-N 2.95Å; C147-F181 HydrophobicContact CB-CD2 4.49Å; C147-F181 HydrophobicContact CB-CE2 3.9Å; Y158-F181 WeakPolarHBondContact O-CZ 3.16Å; F160-F181 HydrophobicContact CB-CD1 4.02Å; F160-F181 HydrophobicContact CB-CD2 4.35Å; F160-F181 HydrophobicContact CB-CE1 4.2Å; F160-F181 HydrophobicContact CB-CG 4.1Å; F160-F181 HydrophobicContact CB-CZ 4.43Å; S168-F181 WeakPolarHBondContact OG-CD1 3.22Å; S168-F181 WeakPolarHBondContact OG-CE1 3.48Å; I171-F181 HydrophobicContact CB-CZ 4.49Å; I171-F181 HydrophobicContact CD1-CD1 3.76Å; I171-F181 HydrophobicContact CD1-CE1 3.56Å; I171-F181 HydrophobicContact CD1-CG 4.35Å; I171-F181 HydrophobicContact CD1-CZ 4Å; I171-F181 HydrophobicContact CG1-CD1 4.47Å; I171-F181 HydrophobicContact CG1-CE1 3.85Å; I171-F181 HydrophobicContact CG1-CZ 4.29Å; A179-F181 HydrophobicContact CB-CE2 3.99Å; A179-F181 HydrophobicContact CB-CZ 4.26Å
182N90.4Very high87.4Confident113 Ų11395.1 Ų95.160%0.60445%0.453SS*.EExtended strand (participates in β ladder)trans-93.9113.9175.5-67-51.3000109.5T144T144-N182 VanDerWaalsContact CG2-OD1 3.3Å; T144-N182 WeakPolarHBondContact CG2-OD1 3.18Å; T144-N182 PolarHBondContact OG1-OD1 3.21Å
183L82.4Confident86.7Confident52 Ų5298.1 Ų98.127%0.27246%0.458SS..EExtended strand (participates in β ladder)trans-102.6111.3175.2-60.8-178.9000109.2I143 L145 F160 I167I143-L183 HydrophobicContact CB-CB 4.32Å; I143-L183 PolarHBondContact N-O 3.08Å; I143-L183 PolarHBondContact O-N 3.38Å; L145-L183 HydrophobicContact CD1-CD1 3.46Å; L145-L183 VanDerWaalsContact CD1-CD1 3.46Å; L145-L183 HydrophobicContact CD1-CG 4.07Å; L145-L183 HydrophobicContact CG-CD1 4.12Å; L145-L183 HydrophobicContact CG-CG 4.49Å; F160-L183 HydrophobicContact CD1-CD1 4.23Å; F160-L183 HydrophobicContact CD1-CD2 4.31Å; F160-L183 HydrophobicContact CE1-CD1 3.67Å; F160-L183 HydrophobicContact CE1-CD2 4.49Å; F160-L183 HydrophobicContact CZ-CD1 4.39Å; I167-L183 HydrophobicContact CD1-CD2 4.18Å
184T69.6Low85.8Confident106 Ų106102.5 Ų102.565%0.6548%0.48SS*.EExtended strand (participates in β ladder)trans-96.6109.8169.8-35.10000108.2
185K58.9Low84.9Confident174 Ų17496.8 Ų96.876%0.75746%0.464SS*.  trans-88111.8169.6-128179.7-177.7176.80107.5
186K51Low84Confident272 Ų27298.8 Ų98.8100%1.18347%0.47SS*.  trans-76.50164.2-76.7-171.5177.8-176.60110.1

Retrieved 186 of 186 residues in 165.8 ms (Link to these results)