A0A087Y5E7_POEFO Loading...

Musashi RNA binding protein 1b

AlphaFold DB , UniProt , Accession A0A087Y5E7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 349 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
1M38.1Very low39.6Very low219 Ų219144.6 Ų144.6100%1.07985%0.853SS**  056.50-62.3175.6177.300108
2D37.7Very low39.5Very low149 Ų149139.3 Ų139.380%0.79784%0.837SS**  64.2112.778.5-52.7-58.1000112
3T43.3Very low39.3Very low141 Ų141135 Ų13587%0.86583%0.826SS**  trans-139.987.9164.9-54.10000107.6
4E39.2Very low39.7Very low186 Ų186134.8 Ų134.887%0.86982%0.818SS**  trans-61154.9158.7-55.3169.1102.200108.5
5G31.9Very low39.9Very low67 Ų67130.1 Ų130.169%0.69179%0.793SS**  cis174.6137.4-4.900000108.5Q7G5-Q7 PolarHBondContact O-N 3.43Å
6S37.6Very low40.7Very low133 Ų133128.7 Ų128.793%0.9379%0.787SS**  trans-97.582.7175.1-66.30000109.6S8S6-S8 PolarHBondContact O-N 3.24Å; S6-S8 VanDerWaalsContact O-N 3.15Å
7Q37.8Very low41.4Very low179 Ų179129.5 Ų129.584%0.83678%0.78SS**  trans-62.5113.8167.5-71.7-179.3-8.800108.6G5 S9G5-Q7 PolarHBondContact O-N 3.43Å; Q7-S9 PolarHBondContact O-N 2.7Å
8S40.3Very low42.6Very low126 Ų126125.5 Ų125.588%0.88175%0.754SS**  trans-70.775.8166.558.20000109.2S6 L10S6-S8 PolarHBondContact O-N 3.24Å; S6-S8 VanDerWaalsContact O-N 3.15Å; S8-L10 PolarHBondContact O-N 2.71Å
9S44.4Very low43.8Very low100 Ų100122.6 Ų122.670%0.69974%0.738SS**  trans-65.3122.6161.848.10000108.1Q7Q7-S9 PolarHBondContact O-N 2.7Å
10L38.1Very low45.8Very low169 Ų169117.6 Ų117.689%0.88571%0.708SS**  trans-174.691.6143.9-101167000108.5S8 A12S8-L10 PolarHBondContact O-N 2.71Å; L10-A12 PolarHBondContact O-N 3.25Å
11S46.8Very low47.8Very low122 Ų122114.2 Ų114.285%0.85369%0.685SS**  trans-66.3105.2160.949.60000109.3
12A38.2Very low50.3Low80 Ų80103.8 Ų103.866%0.66163%0.633SS**  trans-96.9123152.900000107.1L10 D14L10-A12 PolarHBondContact O-N 3.25Å; A12-D14 PolarHBondContact O-N 2.91Å
13A37.3Very low52.8Low84 Ų8499.6 Ų99.669%0.69461%0.608SS**  trans-56.9139.6173.900000109.7S15A13-S15 PolarHBondContact O-N 3.35Å
14D44.5Very low55.1Low132 Ų13292.9 Ų92.971%0.70657%0.567SS**  trans-70.271.8177.4-168.128000109.4A12 P16A12-D14 PolarHBondContact O-N 2.91Å; D14-P16 WeakPolarHBondContact O-CD 3.27Å
15S43.3Very low57.6Low64 Ų6484.4 Ų84.445%0.44853%0.529SS..  trans-64.2115.6175.9-69.30000107.5A13 H17A13-S15 PolarHBondContact O-N 3.35Å; S15-H17 PolarHBondContact O-N 3.39Å
16P53.1Low60.4Low108 Ų10882.6 Ų82.670%0.70151%0.51SS*.SBendtrans-71.912.3-169.529.2-36.3000114D14D14-P16 WeakPolarHBondContact O-CD 3.27Å
17H51.6Low62.9Low142 Ų14276.2 Ų76.266%0.65747%0.466SS*.  trans-149.962.6-175.1-157.282.4000111.9S15 P19S15-H17 PolarHBondContact O-N 3.39Å; H17-P19 WeakPolarHBondContact O-CD 3.31Å
18D63.9Low65.5Low58 Ų5868.8 Ų68.831%0.3143%0.434SS..  trans-85.499.3161.5-80-36.7000109.1C20 K21D18-C20 PolarHBondContact O-N 3.26Å; D18-K21 HydrophobicContact CB-CB 4.33Å; D18-K21 WeakPolarHBondContact O-CB 3.04Å; D18-K21 PolarHBondContact O-N 3.03Å
19P65.8Low67.8Low71 Ų7171.1 Ų71.146%0.46142%0.423SS..THydrogen-bonded Turntrans-64.1-2517827.4-36000112.5H17 K21 Q71H17-P19 WeakPolarHBondContact O-CD 3.31Å; P19-K21 PolarHBondContact O-N 3.23Å; P19-K21 VanDerWaalsContact O-N 3.09Å; P19-Q71 PolarHBondContact O-OE1 2.9Å
20C82.3Confident69.9Low21 Ų2174.3 Ų74.314%0.14243%0.427CS..THydrogen-bonded Turntrans-71.33.8177.9-53.10000114.3D18 F68D18-C20 PolarHBondContact O-N 3.26Å; C20-F68 HydrophobicContact CB-CB 4.3Å; C20-F68 WeakPolarHBondContact CB-O 3.4Å; C20-F68 PolarHBondContact O-N 3.42Å
21K88.5Confident72.3Confident48 Ų4866.3 Ų66.321%0.20939%0.385CS..EExtended strand (participates in β ladder)trans-91.7128.9-176.9-161.7164.6-164.31480111.9D18 P19 E48 T67 A95D18-K21 HydrophobicContact CB-CB 4.33Å; D18-K21 WeakPolarHBondContact O-CB 3.04Å; D18-K21 PolarHBondContact O-N 3.03Å; P19-K21 PolarHBondContact O-N 3.23Å; P19-K21 VanDerWaalsContact O-N 3.09Å; K21-E48 IonicContact NZ-OE2 3.24Å; K21-T67 HydrophobicContact CB-CG2 4.46Å; K21-A95 HydrophobicContact CB-CB 4.11Å; K21-A95 HydrophobicContact CG-CB 3.96Å; K21-A95 WeakPolarHBondContact O-CB 3.46Å; K21-A95 PolarHBondContact O-N 3.49Å
22M89.7Confident74.3Confident0 Ų063 Ų630%036%0.36CS..EExtended strand (participates in β ladder)trans-116.1144.2176.5-59.7-164.281.100111.5I24 F65 V66 F68 V74 V77 L78 P92 K93M22-I24 HydrophobicContact CB-CD1 3.93Å; M22-F65 VanDerWaalsContact O-CA 3.27Å; M22-F65 WeakPolarHBondContact O-CA 3.37Å; M22-V66 PolarHBondContact N-O 3.19Å; M22-V66 PolarHBondContact O-N 3.06Å; M22-F68 HydrophobicContact CG-CD2 4.42Å; M22-F68 HydrophobicContact CG-CE2 4.29Å; M22-F68 HydrophobicContact SD-CD2 4.34Å; M22-F68 HydrophobicContact SD-CE2 3.77Å; M22-V74 HydrophobicContact CE-CG1 4.01Å; M22-V74 HydrophobicContact CG-CB 4.41Å; M22-V74 HydrophobicContact CG-CG1 3.97Å; M22-V74 HydrophobicContact CG-CG2 3.91Å; M22-V74 HydrophobicContact SD-CB 4.11Å; M22-V74 HydrophobicContact SD-CG1 3.8Å; M22-V74 HydrophobicContact SD-CG2 4.1Å; M22-V77 HydrophobicContact CE-CB 4.17Å; M22-V77 HydrophobicContact CE-CG1 3.68Å; M22-V77 HydrophobicContact SD-CB 3.93Å; M22-V77 HydrophobicContact SD-CG1 3.79Å; M22-V77 HydrophobicContact SD-CG2 4.4Å; M22-L78 HydrophobicContact CE-CD2 3.68Å; M22-L78 HydrophobicContact CE-CG 3.87Å; M22-P92 HydrophobicContact CE-CB 4.07Å; M22-K93 CarbonylContact C-O 3.57Å; M22-K93 WeakPolarHBondContact CA-O 3.38Å
23F91.4Very high76.8Confident60 Ų6063 Ų6326%0.26335%0.346SS..EExtended strand (participates in β ladder)trans-93.1128.7166.4167.6-92000108.4F63 F65 P92 K93 A95F23-F63 HydrophobicContact CD2-CD2 4.34Å; F23-F63 HydrophobicContact CE2-CB 3.94Å; F23-F63 AromaticContact CE2-CD2 3.57Å; F23-F63 HydrophobicContact CE2-CD2 3.57Å; F23-F63 HydrophobicContact CE2-CE2 4.32Å; F23-F63 AromaticContact CE2-CG 4Å; F23-F63 HydrophobicContact CE2-CG 4Å; F23-F63 HydrophobicContact CZ-CB 3.97Å; F23-F63 HydrophobicContact CZ-CD2 4.38Å; F23-F63 HydrophobicContact CZ-CG 4.37Å; F23-F65 HydrophobicContact CB-CD1 4.26Å; F23-F65 HydrophobicContact CB-CE1 4.06Å; F23-F65 HydrophobicContact CD2-CD1 4.43Å; F23-F65 AromaticContact CD2-CE1 3.79Å; F23-F65 HydrophobicContact CD2-CE1 3.79Å; F23-F65 AromaticContact CD2-CZ 3.97Å; F23-F65 HydrophobicContact CD2-CZ 3.97Å; F23-F65 HydrophobicContact CG-CE1 4.44Å; F23-P92 WeakPolarHBondContact O-CA 3.37Å; F23-K93 PolarHBondContact N-O 3.19Å; F23-K93 PolarHBondContact O-N 2.95Å; F23-A95 HydrophobicContact CB-CB 4.41Å
24I91.7Very high79.4Confident0 Ų064.1 Ų64.10%034%0.337CS..EExtended strand (participates in β ladder)trans-111.9104.2177.8-38.7-58.5000108.8M22 L27 L36 F40 F63 G64 V66 I90 P92M22-I24 HydrophobicContact CB-CD1 3.93Å; I24-L27 HydrophobicContact CB-CD2 4.35Å; I24-L27 HydrophobicContact CG2-CD2 3.63Å; I24-L27 HydrophobicContact CG2-CG 4.41Å; I24-L36 HydrophobicContact CG2-CD1 4.34Å; I24-F40 HydrophobicContact CD1-CE1 4.16Å; I24-F40 HydrophobicContact CD1-CE2 3.83Å; I24-F40 HydrophobicContact CD1-CZ 3.57Å; I24-F40 HydrophobicContact CG1-CE2 3.85Å; I24-F40 HydrophobicContact CG1-CZ 4.07Å; I24-F40 HydrophobicContact CG2-CE2 3.93Å; I24-F40 HydrophobicContact CG2-CZ 3.91Å; I24-F63 CarbonylContact O-C 3.57Å; I24-F63 WeakPolarHBondContact O-CA 3.26Å; I24-F63 WeakPolarHBondContact O-CB 3.21Å; I24-G64 PolarHBondContact N-O 3.05Å; I24-G64 PolarHBondContact O-N 3.35Å; I24-V66 HydrophobicContact CD1-CB 4.33Å; I24-V66 HydrophobicContact CD1-CG2 4.18Å; I24-V66 HydrophobicContact CG1-CB 4.3Å; I24-V66 HydrophobicContact CG1-CG2 3.71Å; I24-I90 HydrophobicContact CG2-CB 4.2Å; I24-I90 HydrophobicContact CG2-CD1 4Å; I24-I90 HydrophobicContact CG2-CG1 4.36Å; I24-P92 HydrophobicContact CD1-CB 3.81Å
25G91.3Very high81.6Confident8 Ų858.9 Ų58.98%0.08232%0.315CS..EExtended strand (participates in β ladder)trans-83.8164.2173.200000112.2L27 I90 D91G25-L27 PolarHBondContact O-N 3.07Å; G25-I90 WeakPolarHBondContact O-CA 3.3Å; G25-D91 PolarHBondContact N-O 3.4Å; G25-D91 PolarHBondContact O-N 2.92Å
26G90.1Very high83.8Confident29 Ų2955.9 Ų55.930%0.29929%0.293SS..SBendtrans7613.7167.700000116G62 K88G26-G62 PolarHBondContact N-O 2.97Å; G26-K88 VanDerWaalsContact C-NZ 3.27Å; G26-K88 PolarHBondContact O-NZ 3.23Å
27L91.4Very high85.7Confident0 Ų055.1 Ų55.10%028%0.279CS..  trans-59.3156.9176.2-55.7-174.7000112.3I24 G25 T31 L36 V51 G62 L85 K88 I90I24-L27 HydrophobicContact CB-CD2 4.35Å; I24-L27 HydrophobicContact CG2-CD2 3.63Å; I24-L27 HydrophobicContact CG2-CG 4.41Å; G25-L27 PolarHBondContact O-N 3.07Å; L27-T31 HydrophobicContact CD1-CG2 4.48Å; L27-L36 HydrophobicContact CD1-CD1 3.95Å; L27-L36 HydrophobicContact CD1-CD2 4.11Å; L27-L36 HydrophobicContact CD2-CD1 3.55Å; L27-L36 HydrophobicContact CG-CD1 4.42Å; L27-V51 HydrophobicContact CD1-CG2 4.39Å; L27-G62 PolarHBondContact N-O 2.58Å; L27-L85 HydrophobicContact CD2-CD2 4.45Å; L27-K88 PolarHBondContact O-NZ 2.94Å; L27-I90 HydrophobicContact CD2-CB 4.25Å; L27-I90 HydrophobicContact CD2-CG2 3.74Å
28S91Very high87.6Confident22 Ų2254.9 Ų54.915%0.15428%0.278CS..  trans-72.4157.1169-172.90000110.4Q30 T31S28-Q30 PolarHBondContact O-N 3.21Å; S28-T31 WeakPolarHBondContact CA-OG1 3.36Å; S28-T31 VanDerWaalsContact CB-OG1 3.25Å; S28-T31 WeakPolarHBondContact CB-OG1 3.41Å; S28-T31 PolarHBondContact N-OG1 2.93Å; S28-T31 WeakPolarHBondContact O-CB 3.31Å; S28-T31 PolarHBondContact O-N 3.25Å; S28-T31 PolarHBondContact O-OG1 3.1Å
29W89.3Confident88.8Confident176 Ų17653.6 Ų53.667%0.66727%0.269SS*.SBendtrans-68.5-21.3173.7-61.2-22.8000112.3S60W29-S60 WeakPolarHBondContact O-CB 3.25Å
30Q87.9Confident90Very high166 Ų16650.2 Ų50.278%0.77625%0.247SC*.SBendtrans-87.6-19.4177.8-59.9-179.310.100112.5S28 T32S28-Q30 PolarHBondContact O-N 3.21Å; Q30-T32 PolarHBondContact O-N 3.03Å
31T88.1Confident90.4Very high1 Ų152.7 Ų52.71%0.00626%0.264CS..  trans-55.6127.3-179.2-51.10000111.1L27 S28 L36 R53 L85 D86L27-T31 HydrophobicContact CD1-CG2 4.48Å; S28-T31 WeakPolarHBondContact CA-OG1 3.36Å; S28-T31 VanDerWaalsContact CB-OG1 3.25Å; S28-T31 WeakPolarHBondContact CB-OG1 3.41Å; S28-T31 PolarHBondContact N-OG1 2.93Å; S28-T31 WeakPolarHBondContact O-CB 3.31Å; S28-T31 PolarHBondContact O-N 3.25Å; S28-T31 PolarHBondContact O-OG1 3.1Å; T31-L36 HydrophobicContact CG2-CB 4.43Å; T31-R53 PolarHBondContact O-NH2 2.85Å; T31-L85 HydrophobicContact CG2-CD2 3.64Å; T31-L85 HydrophobicContact CG2-CG 4.44Å; T31-D86 WeakPolarHBondContact CA-OD2 3.2Å; T31-D86 VanDerWaalsContact CB-OD2 3.3Å; T31-D86 WeakPolarHBondContact CB-OD2 3.37Å; T31-D86 PolarHBondContact OG1-OD2 3.17Å
32T90.4Very high90.4Very high52 Ų5258.2 Ų58.232%0.31929%0.288SS..  trans-99.2170.6176800000111.7Q30 E34 G35 L36Q30-T32 PolarHBondContact O-N 3.03Å; T32-E34 VanDerWaalsContact C-N 3.26Å; T32-E34 WeakPolarHBondContact CB-OE2 3.28Å; T32-E34 PolarHBondContact O-N 3.4Å; T32-E34 PolarHBondContact OG1-N 3.22Å; T32-E34 PolarHBondContact OG1-OE2 3.14Å; T32-G35 PolarHBondContact OG1-N 2.91Å; T32-L36 WeakPolarHBondContact O-CB 3.45Å; T32-L36 PolarHBondContact O-N 3.24Å; T32-L36 VanDerWaalsContact O-N 3.15Å
33Q90.6Very high90.4Very high80 Ų8059.8 Ų59.837%0.37430%0.295SS..Hα-helixtrans-66.9-34.3178.8177.6171.5-50.500111.1K37 C49 V51Q33-K37 WeakPolarHBondContact O-CB 3.39Å; Q33-K37 PolarHBondContact O-N 3.37Å; Q33-C49 HydrophobicContact CG-CB 4.23Å; Q33-C49 WeakPolarHBondContact CG-O 3.5Å; Q33-C49 WeakPolarHBondContact CG-SG 3.47Å; Q33-C49 PolarHBondContact NE2-O 3.35Å; Q33-C49 VanDerWaalsContact NE2-O 3.16Å; Q33-C49 PolarHBondContact OE1-O 2.68Å; Q33-V51 HydrophobicContact CB-CG2 4.27Å
34E91.1Very high90.2Very high108 Ų10857.7 Ų57.751%0.50529%0.289SS..Hα-helixtrans-68.2-53.1-180-53.869-145.400110.3T32 L36 K37 E38T32-E34 VanDerWaalsContact C-N 3.26Å; T32-E34 WeakPolarHBondContact CB-OE2 3.28Å; T32-E34 PolarHBondContact O-N 3.4Å; T32-E34 PolarHBondContact OG1-N 3.22Å; T32-E34 PolarHBondContact OG1-OE2 3.14Å; E34-L36 VanDerWaalsContact C-N 3.27Å; E34-L36 PolarHBondContact O-N 3.38Å; E34-K37 WeakPolarHBondContact O-CA 3.5Å; E34-K37 WeakPolarHBondContact O-CB 3.38Å; E34-K37 PolarHBondContact O-N 2.9Å; E34-E38 WeakPolarHBondContact O-CG 3.47Å; E34-E38 PolarHBondContact O-N 3.18Å
35G90.1Very high90.2Very high23 Ų2363.8 Ų63.824%0.23732%0.318CS..Hα-helixtrans-61.7-33.8176.500000113.2T32 Y39T32-G35 PolarHBondContact OG1-N 2.91Å; G35-Y39 WeakPolarHBondContact O-CB 3.46Å; G35-Y39 PolarHBondContact O-N 3.38Å; G35-Y39 VanDerWaalsContact O-N 3.16Å
36L91.2Very high90.2Very high0 Ų063.8 Ų63.80%032%0.316CS..Hα-helixtrans-64.4-46.6171-167.771.2000111.3I24 L27 T31 T32 E34 Y39 F40 V51 V66 L85I24-L36 HydrophobicContact CG2-CD1 4.34Å; L27-L36 HydrophobicContact CD1-CD1 3.95Å; L27-L36 HydrophobicContact CD1-CD2 4.11Å; L27-L36 HydrophobicContact CD2-CD1 3.55Å; L27-L36 HydrophobicContact CG-CD1 4.42Å; T31-L36 HydrophobicContact CG2-CB 4.43Å; T32-L36 WeakPolarHBondContact O-CB 3.45Å; T32-L36 PolarHBondContact O-N 3.24Å; T32-L36 VanDerWaalsContact O-N 3.15Å; E34-L36 VanDerWaalsContact C-N 3.27Å; E34-L36 PolarHBondContact O-N 3.38Å; L36-Y39 PolarHBondContact O-N 3.5Å; L36-F40 HydrophobicContact CD1-CD2 4Å; L36-F40 HydrophobicContact CD1-CE2 3.64Å; L36-F40 HydrophobicContact CG-CD2 4.08Å; L36-F40 HydrophobicContact CG-CE2 4.19Å; L36-F40 VanDerWaalsContact O-CD2 3.3Å; L36-F40 WeakPolarHBondContact O-CD2 3.45Å; L36-F40 PolarHBondContact O-N 2.96Å; L36-F40 VanDerWaalsContact O-N 3.14Å; L36-V51 HydrophobicContact CB-CG2 4.49Å; L36-V51 HydrophobicContact CD2-CG2 3.87Å; L36-V66 HydrophobicContact CD2-CG2 3.77Å; L36-V66 HydrophobicContact CG-CG2 4.04Å; L36-L85 HydrophobicContact CD1-CD2 3.91Å
37K91.3Very high90.1Very high93 Ų9368.2 Ų68.240%0.40433%0.327SS..Hα-helixtrans-60.2-50.3178.2-164.9-177.4-179.71800111.5Q33 E34 Y39 F40 C41 V46 C49Q33-K37 WeakPolarHBondContact O-CB 3.39Å; Q33-K37 PolarHBondContact O-N 3.37Å; E34-K37 WeakPolarHBondContact O-CA 3.5Å; E34-K37 WeakPolarHBondContact O-CB 3.38Å; E34-K37 PolarHBondContact O-N 2.9Å; K37-Y39 VanDerWaalsContact C-N 3.28Å; K37-Y39 PolarHBondContact O-N 3.14Å; K37-F40 PolarHBondContact O-N 3.05Å; K37-C41 VanDerWaalsContact O-CB 3.3Å; K37-C41 WeakPolarHBondContact O-CB 3.39Å; K37-C41 PolarHBondContact O-N 3.49Å; K37-V46 HydrophobicContact CG-CB 4.06Å; K37-V46 HydrophobicContact CG-CG1 4Å; K37-C49 HydrophobicContact CB-CB 4.41Å
38E91.6Very high90Very high136 Ų13672.5 Ų72.564%0.63635%0.347SS*.Hα-helixtrans-59.7-38.1-179.3-73.2173.7-158.300112.3E34E34-E38 WeakPolarHBondContact O-CG 3.47Å; E34-E38 PolarHBondContact O-N 3.18Å
39Y90.7Very high89.9Confident31 Ų3171.9 Ų71.912%0.12234%0.343CS..Hα-helixtrans-65.4-48.3174.9-176-92.5000112.2G35 L36 K37 K42 Y43 H83 E84 L85 I90G35-Y39 WeakPolarHBondContact O-CB 3.46Å; G35-Y39 PolarHBondContact O-N 3.38Å; G35-Y39 VanDerWaalsContact O-N 3.16Å; L36-Y39 PolarHBondContact O-N 3.5Å; K37-Y39 VanDerWaalsContact C-N 3.28Å; K37-Y39 PolarHBondContact O-N 3.14Å; Y39-K42 WeakPolarHBondContact O-CB 3.46Å; Y39-K42 PolarHBondContact O-N 3.14Å; Y39-Y43 HydrophobicContact CD1-CE2 4.31Å; Y39-Y43 AromaticContact CE1-CE2 3.81Å; Y39-Y43 HydrophobicContact CE1-CE2 3.81Å; Y39-Y43 PolarHBondContact OH-OH 2.85Å; Y39-H83 HydrophobicContact CE1-CB 4.25Å; Y39-H83 AromaticContact CE1-ND1 3.53Å; Y39-H83 AromaticContact CZ-ND1 3.75Å; Y39-H83 PolarHBondContact OH-ND1 2.79Å; Y39-H83 VanDerWaalsContact OH-ND1 3.07Å; Y39-E84 WeakPolarHBondContact CE2-O 3.31Å; Y39-L85 HydrophobicContact CD2-CD1 3.9Å; Y39-L85 HydrophobicContact CG-CD1 4.03Å; Y39-I90 HydrophobicContact CD1-CD1 4.2Å; Y39-I90 HydrophobicContact CE1-CD1 3.95Å
40F90.6Very high89.9Confident0 Ų066.9 Ų66.90%033%0.328CS..Hα-helixtrans-75.5-24.6-177.3-78.5-67.7000114.2I24 L36 K37 K42 Y43 G44 V46 V66 F68 V77 I90 P92I24-F40 HydrophobicContact CD1-CE1 4.16Å; I24-F40 HydrophobicContact CD1-CE2 3.83Å; I24-F40 HydrophobicContact CD1-CZ 3.57Å; I24-F40 HydrophobicContact CG1-CE2 3.85Å; I24-F40 HydrophobicContact CG1-CZ 4.07Å; I24-F40 HydrophobicContact CG2-CE2 3.93Å; I24-F40 HydrophobicContact CG2-CZ 3.91Å; L36-F40 HydrophobicContact CD1-CD2 4Å; L36-F40 HydrophobicContact CD1-CE2 3.64Å; L36-F40 HydrophobicContact CG-CD2 4.08Å; L36-F40 HydrophobicContact CG-CE2 4.19Å; L36-F40 VanDerWaalsContact O-CD2 3.3Å; L36-F40 WeakPolarHBondContact O-CD2 3.45Å; L36-F40 PolarHBondContact O-N 2.96Å; L36-F40 VanDerWaalsContact O-N 3.14Å; K37-F40 PolarHBondContact O-N 3.05Å; F40-K42 PolarHBondContact O-N 3.16Å; F40-Y43 HydrophobicContact CD1-CD2 4.36Å; F40-Y43 PolarHBondContact O-N 3.43Å; F40-G44 PolarHBondContact O-N 2.86Å; F40-V46 HydrophobicContact CB-CG2 3.86Å; F40-V66 HydrophobicContact CB-CG1 4.17Å; F40-V66 HydrophobicContact CD2-CG2 3.85Å; F40-V66 HydrophobicContact CE2-CG2 4.28Å; F40-V66 HydrophobicContact CG-CG1 4.34Å; F40-V66 HydrophobicContact CG-CG2 4.44Å; F40-F68 HydrophobicContact CB-CE1 4.33Å; F40-F68 HydrophobicContact CB-CZ 3.93Å; F40-F68 AromaticContact CD1-CZ 3.96Å; F40-F68 HydrophobicContact CD1-CZ 3.96Å; F40-F68 HydrophobicContact CG-CZ 4.27Å; F40-V77 HydrophobicContact CD1-CG1 4.5Å; F40-V77 HydrophobicContact CD1-CG2 3.8Å; F40-V77 HydrophobicContact CE1-CG1 3.85Å; F40-V77 HydrophobicContact CE1-CG2 3.96Å; F40-I90 HydrophobicContact CE2-CD1 4Å; F40-I90 HydrophobicContact CZ-CD1 3.7Å; F40-P92 HydrophobicContact CE1-CB 4.39Å; F40-P92 HydrophobicContact CZ-CB 4.34Å
41C90.1Very high90.1Very high74 Ų7459.5 Ų59.550%0.529%0.294SS..THydrogen-bonded Turntrans-55.8-24.2173.9-157.70000113K37 Y43 G44K37-C41 VanDerWaalsContact O-CB 3.3Å; K37-C41 WeakPolarHBondContact O-CB 3.39Å; K37-C41 PolarHBondContact O-N 3.49Å; C41-Y43 VanDerWaalsContact C-N 3.26Å; C41-Y43 PolarHBondContact O-N 3.22Å; C41-G44 WeakPolarHBondContact CA-O 3.35Å
42K89.8Confident90.1Very high163 Ų16361.8 Ų61.871%0.70931%0.305SS*.THydrogen-bonded Turntrans-67.1-23.2176-60.1177-176.1178.90113.8Y39 F40Y39-K42 WeakPolarHBondContact O-CB 3.46Å; Y39-K42 PolarHBondContact O-N 3.14Å; F40-K42 PolarHBondContact O-N 3.16Å
43Y88.4Confident90.2Very high34 Ų3464.5 Ų64.513%0.13331%0.31CS..THydrogen-bonded Turntrans-100.7-35.1-177.5-57.3-89.5000111.4Y39 F40 C41 K76 V77 Q80 H83Y39-Y43 HydrophobicContact CD1-CE2 4.31Å; Y39-Y43 AromaticContact CE1-CE2 3.81Å; Y39-Y43 HydrophobicContact CE1-CE2 3.81Å; Y39-Y43 PolarHBondContact OH-OH 2.85Å; F40-Y43 HydrophobicContact CD1-CD2 4.36Å; F40-Y43 PolarHBondContact O-N 3.43Å; C41-Y43 VanDerWaalsContact C-N 3.26Å; C41-Y43 PolarHBondContact O-N 3.22Å; Y43-K76 HydrophobicContact CD1-CB 4.42Å; Y43-K76 WeakPolarHBondContact O-CD 3.27Å; Y43-K76 PolarHBondContact O-NZ 2.79Å; Y43-V77 HydrophobicContact CD1-CG2 4.28Å; Y43-V77 HydrophobicContact CD2-CG2 4.11Å; Y43-V77 HydrophobicContact CG-CG2 3.76Å; Y43-Q80 HydrophobicContact CE1-CB 4.35Å; Y43-Q80 HydrophobicContact CE1-CG 4.34Å; Y43-Q80 PolarHBondContact OH-NE2 3.49Å; Y43-H83 AromaticContact CE1-CE1 3.85Å; Y43-H83 AromaticContact CE2-CE1 3.96Å; Y43-H83 AromaticContact CZ-CE1 3.52Å; Y43-H83 AromaticContact CZ-ND1 3.73Å; Y43-H83 PolarHBondContact OH-ND1 2.74Å
44G88.3Confident90.1Very high15 Ų1563.1 Ų63.116%0.15531%0.305CS..SBendtrans-172.4170.8173.900000112.2F40 C41 V46 F68F40-G44 PolarHBondContact O-N 2.86Å; C41-G44 WeakPolarHBondContact CA-O 3.35Å; G44-V46 PolarHBondContact O-N 3.41Å; G44-F68 WeakPolarHBondContact O-CE1 3.39Å
45E91.4Very high89.9Confident129 Ų12962.7 Ų62.760%0.60331%0.311SS*.  trans-67.7125.7-179.7-168.9177.4161.100111.4F68 V69E45-F68 CarbonylContact O-C 3.58Å; E45-F68 WeakPolarHBondContact O-CA 3.47Å; E45-F68 WeakPolarHBondContact O-CD1 3.36Å; E45-V69 HydrophobicContact CB-CB 4.27Å; E45-V69 HydrophobicContact CB-CG2 4.03Å; E45-V69 HydrophobicContact CG-CG2 3.82Å; E45-V69 PolarHBondContact O-N 2.91Å
46V90.9Very high89.9Confident7 Ų767.6 Ų67.64%0.04234%0.337CS..EExtended strand (participates in β ladder)trans-94.8106.9-178177.80000110.1K37 F40 G44 E48 C49 V66 F68K37-V46 HydrophobicContact CG-CB 4.06Å; K37-V46 HydrophobicContact CG-CG1 4Å; F40-V46 HydrophobicContact CB-CG2 3.86Å; G44-V46 PolarHBondContact O-N 3.41Å; V46-E48 VanDerWaalsContact CG1-O 3.26Å; V46-E48 WeakPolarHBondContact CG1-O 3.3Å; V46-C49 HydrophobicContact CG1-CB 4.1Å; V46-V66 HydrophobicContact CG1-CG1 3.77Å; V46-V66 HydrophobicContact CG2-CG1 4.01Å; V46-F68 HydrophobicContact CG2-CD1 4.13Å; V46-F68 HydrophobicContact CG2-CE1 3.84Å; V46-F68 HydrophobicContact CG2-CZ 4.46Å
47K88.9Confident89.8Confident122 Ų12271.9 Ų71.953%0.5336%0.363SS..EExtended strand (participates in β ladder)trans-62.9-49.2174.4-176.4-176.3177-172.50111.2T67 V69K47-T67 WeakPolarHBondContact CB-O 3.47Å; K47-T67 HydrophobicContact CD-CG2 4.39Å; K47-T67 PolarHBondContact N-O 2.95Å; K47-V69 HydrophobicContact CB-CG2 3.81Å
48E87.6Confident89.6Confident90 Ų9074.2 Ų74.242%0.42137%0.373SS..EExtended strand (participates in β ladder)trans-144.4146.7-176.8-167.7-168-160.800110.2K21 V46 T67K21-E48 IonicContact NZ-OE2 3.24Å; V46-E48 VanDerWaalsContact CG1-O 3.26Å; V46-E48 WeakPolarHBondContact CG1-O 3.3Å; E48-T67 PolarHBondContact N-O 3.34Å; E48-T67 VanDerWaalsContact N-O 3.07Å; E48-T67 PolarHBondContact O-N 3.33Å; E48-T67 PolarHBondContact OE2-OG1 3.36Å
49C89.8Confident89.4Confident10 Ų1075.3 Ų75.37%0.06837%0.371CS..EExtended strand (participates in β ladder)trans-140.7140.3171.150.40000108.1Q33 K37 V46 F65 V66Q33-C49 HydrophobicContact CG-CB 4.23Å; Q33-C49 WeakPolarHBondContact CG-O 3.5Å; Q33-C49 WeakPolarHBondContact CG-SG 3.47Å; Q33-C49 PolarHBondContact NE2-O 3.35Å; Q33-C49 VanDerWaalsContact NE2-O 3.16Å; Q33-C49 PolarHBondContact OE1-O 2.68Å; K37-C49 HydrophobicContact CB-CB 4.41Å; V46-C49 HydrophobicContact CG1-CB 4.1Å; C49-F65 WeakPolarHBondContact CA-O 3.21Å; C49-V66 HydrophobicContact CB-CG2 4.41Å
50M88.8Confident89.4Confident70 Ų7074.1 Ų74.135%0.34537%0.367SS..EExtended strand (participates in β ladder)trans-147.7114.4-177.2-172.3174.945.400110.5M52 G64 F65M50-M52 HydrophobicContact CE-CE 3.67Å; M50-M52 HydrophobicContact CG-CE 3.52Å; M50-M52 HydrophobicContact SD-CE 3.45Å; M50-M52 WeakPolarHBondContact SD-CE 3.44Å; M50-G64 CarbonylContact O-C 3.56Å; M50-G64 WeakPolarHBondContact O-CA 3.12Å; M50-F65 PolarHBondContact N-O 2.94Å; M50-F65 PolarHBondContact O-N 3.29Å
51V91.8Very high89.3Confident12 Ų1281.4 Ų81.47%0.07340%0.395CS..EExtended strand (participates in β ladder)trans-87.7126175.9175.70000109.3L27 Q33 L36 R53L27-V51 HydrophobicContact CD1-CG2 4.39Å; Q33-V51 HydrophobicContact CB-CG2 4.27Å; L36-V51 HydrophobicContact CB-CG2 4.49Å; L36-V51 HydrophobicContact CD2-CG2 3.87Å; V51-R53 HydrophobicContact CG1-CG 4.2Å; V51-R53 PolarHBondContact O-N 3.38Å
52M89.8Confident89.2Confident48 Ų4878.4 Ų78.424%0.23638%0.377CS..EExtended strand (participates in β ladder)trans-76.7109.6178.7-74.3-70.2101.600110.3M50 R61 F63 F65M50-M52 HydrophobicContact CE-CE 3.67Å; M50-M52 HydrophobicContact CG-CE 3.52Å; M50-M52 HydrophobicContact SD-CE 3.45Å; M50-M52 WeakPolarHBondContact SD-CE 3.44Å; M52-R61 VanDerWaalsContact O-CB 3.24Å; M52-R61 WeakPolarHBondContact O-CB 3.4Å; M52-R61 WeakPolarHBondContact O-CG 3.3Å; M52-R61 PolarHBondContact O-N 3.29Å; M52-F63 HydrophobicContact CB-CD2 3.99Å; M52-F63 HydrophobicContact CB-CE1 4.23Å; M52-F63 HydrophobicContact CB-CE2 3.62Å; M52-F63 HydrophobicContact CB-CG 4.47Å; M52-F63 HydrophobicContact CB-CZ 3.73Å; M52-F63 HydrophobicContact CG-CD2 4.02Å; M52-F63 HydrophobicContact CG-CE2 3.49Å; M52-F63 VanDerWaalsContact CG-CE2 3.49Å; M52-F63 HydrophobicContact CG-CZ 3.99Å; M52-F63 PolarHBondContact N-O 3.17Å; M52-F65 HydrophobicContact CG-CD2 4.35Å; M52-F65 HydrophobicContact CG-CE2 4.17Å
53R90.8Very high89.4Confident110 Ų11072.7 Ų72.742%0.41535%0.352SS..EExtended strand (participates in β ladder)trans-107.6151175.7-62.3-176.5170.1-169.4-7.6109.9T31 V51 R59T31-R53 PolarHBondContact O-NH2 2.85Å; V51-R53 HydrophobicContact CG1-CG 4.2Å; V51-R53 PolarHBondContact O-N 3.38Å; R53-R59 CarbonylContact C-O 3.52Å; R53-R59 VanDerWaalsContact CA-O 3.3Å; R53-R59 WeakPolarHBondContact CA-O 3.37Å
54D89.1Confident89.5Confident50 Ų5071.1 Ų71.127%0.26735%0.346SS..  trans-63.3125.4170173.5-1.7000109.2V56 T57 K58 R59D54-V56 PolarHBondContact O-N 2.85Å; D54-V56 PolarHBondContact OD1-N 3.36Å; D54-T57 WeakPolarHBondContact CB-OG1 3.3Å; D54-T57 VanDerWaalsContact CG-OG1 3.25Å; D54-T57 WeakPolarHBondContact OD2-CB 3.41Å; D54-T57 VanDerWaalsContact OD2-CG2 3.25Å; D54-T57 WeakPolarHBondContact OD2-CG2 3.21Å; D54-T57 PolarHBondContact OD2-N 3.37Å; D54-T57 PolarHBondContact OD2-OG1 2.86Å; D54-K58 WeakPolarHBondContact O-CA 3.5Å; D54-K58 PolarHBondContact O-N 3.22Å; D54-R59 PolarHBondContact N-O 3.01Å
55P87.6Confident89.7Confident99 Ų9972.4 Ų72.464%0.64335%0.347SS*.THydrogen-bonded Turntrans-59.8-29.4-179.624.5-34.8000113.3K58P55-K58 WeakPolarHBondContact O-CE 3.44Å; P55-K58 PolarHBondContact O-NZ 2.81Å
56V89.6Confident89.8Confident127 Ų12766.2 Ų66.277%0.7732%0.318SS*.THydrogen-bonded Turntrans-87.6-61.6-177.8-1760000110.8D54 K58D54-V56 PolarHBondContact O-N 2.85Å; D54-V56 PolarHBondContact OD1-N 3.36Å; V56-K58 VanDerWaalsContact C-N 3.31Å; V56-K58 PolarHBondContact O-N 3.22Å
57T88.8Confident89.7Confident89 Ų8966 Ų6655%0.54632%0.317SS..THydrogen-bonded Turntrans-81.4-7.4-174.468.70000114.4D54 R59D54-T57 WeakPolarHBondContact CB-OG1 3.3Å; D54-T57 VanDerWaalsContact CG-OG1 3.25Å; D54-T57 WeakPolarHBondContact OD2-CB 3.41Å; D54-T57 VanDerWaalsContact OD2-CG2 3.25Å; D54-T57 WeakPolarHBondContact OD2-CG2 3.21Å; D54-T57 PolarHBondContact OD2-N 3.37Å; D54-T57 PolarHBondContact OD2-OG1 2.86Å; T57-R59 PolarHBondContact O-N 2.92Å; T57-R59 WeakPolarHBondContact OG1-CB 3.34Å; T57-R59 PolarHBondContact OG1-N 2.91Å
58K86.9Confident89.9Confident143 Ų14360.3 Ų60.362%0.62229%0.292SS*.  trans55.64.2-171.7-55.2-52.7-171.7-1620115.5D54 P55 V56D54-K58 WeakPolarHBondContact O-CA 3.5Å; D54-K58 PolarHBondContact O-N 3.22Å; P55-K58 WeakPolarHBondContact O-CE 3.44Å; P55-K58 PolarHBondContact O-NZ 2.81Å; V56-K58 VanDerWaalsContact C-N 3.31Å; V56-K58 PolarHBondContact O-N 3.22Å
59R87.5Confident90Very high158 Ų15859.1 Ų59.160%0.59629%0.291SS*.  trans-66.8138.3177.4-172.2178.2-71.4-161.6-1.5110.3R53 D54 T57 R61R53-R59 CarbonylContact C-O 3.52Å; R53-R59 VanDerWaalsContact CA-O 3.3Å; R53-R59 WeakPolarHBondContact CA-O 3.37Å; D54-R59 PolarHBondContact N-O 3.01Å; T57-R59 PolarHBondContact O-N 2.92Å; T57-R59 WeakPolarHBondContact OG1-CB 3.34Å; T57-R59 PolarHBondContact OG1-N 2.91Å; R59-R61 PolarHBondContact O-N 3.15Å
60S90.4Very high90Very high6 Ų663.3 Ų63.34%0.04231%0.312CS..EExtended strand (participates in β ladder)trans-61.4134.2170.9173.50000110.9W29 G62W29-S60 WeakPolarHBondContact O-CB 3.25Å; S60-G62 PolarHBondContact O-N 3.36Å; S60-G62 PolarHBondContact OG-N 2.86Å
61R88.4Confident89.9Confident154 Ų15463.3 Ų63.358%0.58131%0.312SS*.EExtended strand (participates in β ladder)trans-80.53.4175.8-59.7175.362.5-172.4-1.2112.3M52 R59 F63M52-R61 VanDerWaalsContact O-CB 3.24Å; M52-R61 WeakPolarHBondContact O-CB 3.4Å; M52-R61 WeakPolarHBondContact O-CG 3.3Å; M52-R61 PolarHBondContact O-N 3.29Å; R59-R61 PolarHBondContact O-N 3.15Å; R61-F63 VanDerWaalsContact C-N 3.34Å; R61-F63 HydrophobicContact CB-CD1 3.8Å; R61-F63 HydrophobicContact CB-CE1 3.55Å; R61-F63 HydrophobicContact CB-CZ 4.49Å; R61-F63 HydrophobicContact CG-CE1 4.49Å
62G89.4Confident89.7Confident11 Ų1165.1 Ų65.111%0.11333%0.328CS..EExtended strand (participates in β ladder)trans76.617.7179.500000114.4G26 L27 S60G26-G62 PolarHBondContact N-O 2.97Å; L27-G62 PolarHBondContact N-O 2.58Å; S60-G62 PolarHBondContact O-N 3.36Å; S60-G62 PolarHBondContact OG-N 2.86Å
63F92.3Very high89.6Confident43 Ų4363 Ų6319%0.18932%0.318CS..EExtended strand (participates in β ladder)trans-149.4160.7173.671.6-87.4000111.9F23 I24 M52 R61 F65F23-F63 HydrophobicContact CD2-CD2 4.34Å; F23-F63 HydrophobicContact CE2-CB 3.94Å; F23-F63 AromaticContact CE2-CD2 3.57Å; F23-F63 HydrophobicContact CE2-CD2 3.57Å; F23-F63 HydrophobicContact CE2-CE2 4.32Å; F23-F63 AromaticContact CE2-CG 4Å; F23-F63 HydrophobicContact CE2-CG 4Å; F23-F63 HydrophobicContact CZ-CB 3.97Å; F23-F63 HydrophobicContact CZ-CD2 4.38Å; F23-F63 HydrophobicContact CZ-CG 4.37Å; I24-F63 CarbonylContact O-C 3.57Å; I24-F63 WeakPolarHBondContact O-CA 3.26Å; I24-F63 WeakPolarHBondContact O-CB 3.21Å; M52-F63 HydrophobicContact CB-CD2 3.99Å; M52-F63 HydrophobicContact CB-CE1 4.23Å; M52-F63 HydrophobicContact CB-CE2 3.62Å; M52-F63 HydrophobicContact CB-CG 4.47Å; M52-F63 HydrophobicContact CB-CZ 3.73Å; M52-F63 HydrophobicContact CG-CD2 4.02Å; M52-F63 HydrophobicContact CG-CE2 3.49Å; M52-F63 VanDerWaalsContact CG-CE2 3.49Å; M52-F63 HydrophobicContact CG-CZ 3.99Å; M52-F63 PolarHBondContact N-O 3.17Å; R61-F63 VanDerWaalsContact C-N 3.34Å; R61-F63 HydrophobicContact CB-CD1 3.8Å; R61-F63 HydrophobicContact CB-CE1 3.55Å; R61-F63 HydrophobicContact CB-CZ 4.49Å; R61-F63 HydrophobicContact CG-CE1 4.49Å; F63-F65 HydrophobicContact CD2-CE2 4.48Å; F63-F65 HydrophobicContact CE2-CE2 4.23Å
64G92.2Very high89.5Confident0 Ų057.7 Ų57.70%030%0.298CS..EExtended strand (participates in β ladder)trans-152.4-177.7177.300000112.4I24 M50I24-G64 PolarHBondContact N-O 3.05Å; I24-G64 PolarHBondContact O-N 3.35Å; M50-G64 CarbonylContact O-C 3.56Å; M50-G64 WeakPolarHBondContact O-CA 3.12Å
65F92.6Very high89.4Confident42 Ų4259.6 Ų59.618%0.18431%0.308CS..EExtended strand (participates in β ladder)trans-125.3145.6171.7-63.6-86000109.7M22 F23 C49 M50 M52 F63 A95M22-F65 VanDerWaalsContact O-CA 3.27Å; M22-F65 WeakPolarHBondContact O-CA 3.37Å; F23-F65 HydrophobicContact CB-CD1 4.26Å; F23-F65 HydrophobicContact CB-CE1 4.06Å; F23-F65 HydrophobicContact CD2-CD1 4.43Å; F23-F65 AromaticContact CD2-CE1 3.79Å; F23-F65 HydrophobicContact CD2-CE1 3.79Å; F23-F65 AromaticContact CD2-CZ 3.97Å; F23-F65 HydrophobicContact CD2-CZ 3.97Å; F23-F65 HydrophobicContact CG-CE1 4.44Å; C49-F65 WeakPolarHBondContact CA-O 3.21Å; M50-F65 PolarHBondContact N-O 2.94Å; M50-F65 PolarHBondContact O-N 3.29Å; M52-F65 HydrophobicContact CG-CD2 4.35Å; M52-F65 HydrophobicContact CG-CE2 4.17Å; F63-F65 HydrophobicContact CD2-CE2 4.48Å; F63-F65 HydrophobicContact CE2-CE2 4.23Å; F65-A95 HydrophobicContact CD1-CB 4.32Å; F65-A95 HydrophobicContact CE1-CB 4.47Å
66V91.9Very high89.6Confident0 Ų060.6 Ų60.60%030%0.302CS..EExtended strand (participates in β ladder)trans-132.4125.8175.91770000107.4M22 I24 L36 F40 V46 C49 F68M22-V66 PolarHBondContact N-O 3.19Å; M22-V66 PolarHBondContact O-N 3.06Å; I24-V66 HydrophobicContact CD1-CB 4.33Å; I24-V66 HydrophobicContact CD1-CG2 4.18Å; I24-V66 HydrophobicContact CG1-CB 4.3Å; I24-V66 HydrophobicContact CG1-CG2 3.71Å; L36-V66 HydrophobicContact CD2-CG2 3.77Å; L36-V66 HydrophobicContact CG-CG2 4.04Å; F40-V66 HydrophobicContact CB-CG1 4.17Å; F40-V66 HydrophobicContact CD2-CG2 3.85Å; F40-V66 HydrophobicContact CE2-CG2 4.28Å; F40-V66 HydrophobicContact CG-CG1 4.34Å; F40-V66 HydrophobicContact CG-CG2 4.44Å; V46-V66 HydrophobicContact CG1-CG1 3.77Å; V46-V66 HydrophobicContact CG2-CG1 4.01Å; C49-V66 HydrophobicContact CB-CG2 4.41Å; V66-F68 HydrophobicContact CG1-CD2 4.32Å; V66-F68 HydrophobicContact CG1-CE2 3.95Å; V66-F68 HydrophobicContact CG1-CZ 4.19Å
67T90.4Very high89.6Confident3 Ų354.6 Ų54.62%0.01827%0.266CS..EExtended strand (participates in β ladder)trans-108.6115.5175.9-45.90000107.3K21 K47 E48K21-T67 HydrophobicContact CB-CG2 4.46Å; K47-T67 WeakPolarHBondContact CB-O 3.47Å; K47-T67 HydrophobicContact CD-CG2 4.39Å; K47-T67 PolarHBondContact N-O 2.95Å; E48-T67 PolarHBondContact N-O 3.34Å; E48-T67 VanDerWaalsContact N-O 3.07Å; E48-T67 PolarHBondContact O-N 3.33Å; E48-T67 PolarHBondContact OE2-OG1 3.36Å
68F91.5Very high89.5Confident2 Ų254.1 Ų54.11%0.00926%0.26CS..EExtended strand (participates in β ladder)trans-77158172.6-72.1-85.8000110.9C20 M22 F40 G44 E45 V46 V66 D70 V74 V77C20-F68 HydrophobicContact CB-CB 4.3Å; C20-F68 WeakPolarHBondContact CB-O 3.4Å; C20-F68 PolarHBondContact O-N 3.42Å; M22-F68 HydrophobicContact CG-CD2 4.42Å; M22-F68 HydrophobicContact CG-CE2 4.29Å; M22-F68 HydrophobicContact SD-CD2 4.34Å; M22-F68 HydrophobicContact SD-CE2 3.77Å; F40-F68 HydrophobicContact CB-CE1 4.33Å; F40-F68 HydrophobicContact CB-CZ 3.93Å; F40-F68 AromaticContact CD1-CZ 3.96Å; F40-F68 HydrophobicContact CD1-CZ 3.96Å; F40-F68 HydrophobicContact CG-CZ 4.27Å; G44-F68 WeakPolarHBondContact O-CE1 3.39Å; E45-F68 CarbonylContact O-C 3.58Å; E45-F68 WeakPolarHBondContact O-CA 3.47Å; E45-F68 WeakPolarHBondContact O-CD1 3.36Å; V46-F68 HydrophobicContact CG2-CD1 4.13Å; V46-F68 HydrophobicContact CG2-CE1 3.84Å; V46-F68 HydrophobicContact CG2-CZ 4.46Å; V66-F68 HydrophobicContact CG1-CD2 4.32Å; V66-F68 HydrophobicContact CG1-CE2 3.95Å; V66-F68 HydrophobicContact CG1-CZ 4.19Å; F68-D70 WeakPolarHBondContact CB-O 3.41Å; F68-V74 HydrophobicContact CB-CG2 4.41Å; F68-V74 HydrophobicContact CD2-CG2 3.72Å; F68-V74 HydrophobicContact CE2-CG2 4.45Å; F68-V74 HydrophobicContact CG-CG2 4.37Å; F68-V77 HydrophobicContact CE2-CG2 4.25Å; F68-V77 HydrophobicContact CZ-CG2 3.87Å
69V90.3Very high89.6Confident64 Ų6451.1 Ų51.139%0.38826%0.262SS..SBendtrans-68.6-53.3164.4179.70000108.4E45 K47E45-V69 HydrophobicContact CB-CB 4.27Å; E45-V69 HydrophobicContact CB-CG2 4.03Å; E45-V69 HydrophobicContact CG-CG2 3.82Å; E45-V69 PolarHBondContact O-N 2.91Å; K47-V69 HydrophobicContact CB-CG2 3.81Å
70D89.1Confident89.4Confident98 Ų9848 Ų4852%0.52425%0.254SS..SBendtrans-103139.4-177.7-63.2-38.2000113.2F68 A72 G73F68-D70 WeakPolarHBondContact CB-O 3.41Å; D70-A72 HydrophobicContact CB-CB 4.44Å; D70-A72 PolarHBondContact O-N 3.27Å; D70-G73 PolarHBondContact O-N 3.27Å
71Q86.9Confident88.7Confident70 Ų7053.8 Ų53.833%0.32729%0.294SS..Hα-helixtrans-57.6-31.5170.7-172.162.236.600112.2P19 G73 V74 D75P19-Q71 PolarHBondContact O-OE1 2.9Å; Q71-G73 PolarHBondContact O-N 2.76Å; Q71-G73 VanDerWaalsContact O-N 3.1Å; Q71-V74 WeakPolarHBondContact O-CA 3.26Å; Q71-V74 VanDerWaalsContact O-CB 3.28Å; Q71-V74 WeakPolarHBondContact O-CB 3.42Å; Q71-V74 PolarHBondContact O-N 3.04Å; Q71-D75 PolarHBondContact O-N 2.85Å; Q71-D75 VanDerWaalsContact O-N 3.14Å
72A88.3Confident88.5Confident51 Ų5153.6 Ų53.642%0.42129%0.294SS..Hα-helixtrans-59.8-22.4176.400000113.7D70 K76D70-A72 HydrophobicContact CB-CB 4.44Å; D70-A72 PolarHBondContact O-N 3.27Å; A72-K76 VanDerWaalsContact O-CD 3.31Å; A72-K76 WeakPolarHBondContact O-CD 3.46Å; A72-K76 VanDerWaalsContact O-CG 3.27Å; A72-K76 WeakPolarHBondContact O-CG 3.16Å; A72-K76 PolarHBondContact O-N 3.09Å
73G87.8Confident88.5Confident2 Ų253.1 Ų53.12%0.02129%0.288CS..Hα-helixtrans-69.4-41.7170.400000112.3D70 Q71 K76 V77D70-G73 PolarHBondContact O-N 3.27Å; Q71-G73 PolarHBondContact O-N 2.76Å; Q71-G73 VanDerWaalsContact O-N 3.1Å; G73-K76 PolarHBondContact O-N 3.49Å; G73-V77 WeakPolarHBondContact O-CG2 3.37Å; G73-V77 PolarHBondContact O-N 3.03Å
74V87.8Confident88.3Confident0 Ų054.9 Ų54.90%030%0.297CS..Hα-helixtrans-61.8-47176.3177.90000110.7M22 F68 Q71 K76 V77 L78M22-V74 HydrophobicContact CE-CG1 4.01Å; M22-V74 HydrophobicContact CG-CB 4.41Å; M22-V74 HydrophobicContact CG-CG1 3.97Å; M22-V74 HydrophobicContact CG-CG2 3.91Å; M22-V74 HydrophobicContact SD-CB 4.11Å; M22-V74 HydrophobicContact SD-CG1 3.8Å; M22-V74 HydrophobicContact SD-CG2 4.1Å; F68-V74 HydrophobicContact CB-CG2 4.41Å; F68-V74 HydrophobicContact CD2-CG2 3.72Å; F68-V74 HydrophobicContact CE2-CG2 4.45Å; F68-V74 HydrophobicContact CG-CG2 4.37Å; Q71-V74 WeakPolarHBondContact O-CA 3.26Å; Q71-V74 VanDerWaalsContact O-CB 3.28Å; Q71-V74 WeakPolarHBondContact O-CB 3.42Å; Q71-V74 PolarHBondContact O-N 3.04Å; V74-K76 VanDerWaalsContact C-N 3.33Å; V74-K76 PolarHBondContact O-N 3.07Å; V74-V77 WeakPolarHBondContact O-CB 3.45Å; V74-V77 PolarHBondContact O-N 2.96Å; V74-V77 VanDerWaalsContact O-N 3.14Å; V74-L78 HydrophobicContact CG1-CD1 3.83Å; V74-L78 HydrophobicContact CG1-CG 4.3Å; V74-L78 WeakPolarHBondContact O-CG 3.37Å; V74-L78 PolarHBondContact O-N 2.64Å
75D88.7Confident88.1Confident89 Ų8955.8 Ų55.848%0.47630%0.302SS..Hα-helixtrans-64.8-37.1-176.3-57.2-33.2000111.9Q71 L78 A79Q71-D75 PolarHBondContact O-N 2.85Å; Q71-D75 VanDerWaalsContact O-N 3.14Å; D75-L78 PolarHBondContact O-N 2.94Å; D75-A79 WeakPolarHBondContact O-CB 3.41Å; D75-A79 PolarHBondContact O-N 3.49Å
76K90.4Very high87.6Confident120 Ų12057.8 Ų57.852%0.52231%0.314SS..Hα-helixtrans-67.1-35.1173.9-71.2165.5-176.7174.40113.3Y43 A72 G73 V74Y43-K76 HydrophobicContact CD1-CB 4.42Å; Y43-K76 WeakPolarHBondContact O-CD 3.27Å; Y43-K76 PolarHBondContact O-NZ 2.79Å; A72-K76 VanDerWaalsContact O-CD 3.31Å; A72-K76 WeakPolarHBondContact O-CD 3.46Å; A72-K76 VanDerWaalsContact O-CG 3.27Å; A72-K76 WeakPolarHBondContact O-CG 3.16Å; A72-K76 PolarHBondContact O-N 3.09Å; G73-K76 PolarHBondContact O-N 3.49Å; V74-K76 VanDerWaalsContact C-N 3.33Å; V74-K76 PolarHBondContact O-N 3.07Å
77V89.6Confident87.4Confident1 Ų163.3 Ų63.31%0.00635%0.353CS..Hα-helixtrans-67.8-46.7173.1171.50000109.7M22 F40 Y43 F68 G73 V74 A79 Q80 H83 P92M22-V77 HydrophobicContact CE-CB 4.17Å; M22-V77 HydrophobicContact CE-CG1 3.68Å; M22-V77 HydrophobicContact SD-CB 3.93Å; M22-V77 HydrophobicContact SD-CG1 3.79Å; M22-V77 HydrophobicContact SD-CG2 4.4Å; F40-V77 HydrophobicContact CD1-CG1 4.5Å; F40-V77 HydrophobicContact CD1-CG2 3.8Å; F40-V77 HydrophobicContact CE1-CG1 3.85Å; F40-V77 HydrophobicContact CE1-CG2 3.96Å; Y43-V77 HydrophobicContact CD1-CG2 4.28Å; Y43-V77 HydrophobicContact CD2-CG2 4.11Å; Y43-V77 HydrophobicContact CG-CG2 3.76Å; F68-V77 HydrophobicContact CE2-CG2 4.25Å; F68-V77 HydrophobicContact CZ-CG2 3.87Å; G73-V77 WeakPolarHBondContact O-CG2 3.37Å; G73-V77 PolarHBondContact O-N 3.03Å; V74-V77 WeakPolarHBondContact O-CB 3.45Å; V74-V77 PolarHBondContact O-N 2.96Å; V74-V77 VanDerWaalsContact O-N 3.14Å; V77-A79 VanDerWaalsContact C-N 3.29Å; V77-A79 PolarHBondContact O-N 3.49Å; V77-Q80 PolarHBondContact O-N 3.01Å; V77-H83 PolarHBondContact O-NE2 2.85Å; V77-P92 HydrophobicContact CG1-CB 3.48Å; V77-P92 VanDerWaalsContact CG1-CB 3.48Å; V77-P92 HydrophobicContact CG1-CG 3.52Å
78L87.5Confident87.3Confident79 Ų7967.2 Ų67.241%0.41437%0.37SS..Hα-helixtrans-65.7-29.8178.9-66.1172.6000113.4M22 V74 D75 Q80 V94M22-L78 HydrophobicContact CE-CD2 3.68Å; M22-L78 HydrophobicContact CE-CG 3.87Å; V74-L78 HydrophobicContact CG1-CD1 3.83Å; V74-L78 HydrophobicContact CG1-CG 4.3Å; V74-L78 WeakPolarHBondContact O-CG 3.37Å; V74-L78 PolarHBondContact O-N 2.64Å; D75-L78 PolarHBondContact O-N 2.94Å; L78-Q80 PolarHBondContact O-N 3.3Å; L78-V94 HydrophobicContact CD1-CG2 3.72Å; L78-V94 HydrophobicContact CD2-CG2 4.36Å
79A87.8Confident87.2Confident80 Ų8070.7 Ų70.766%0.66139%0.392SS*.Hα-helixtrans-66.6-24.5172.900000113.1D75 V77 S81D75-A79 WeakPolarHBondContact O-CB 3.41Å; D75-A79 PolarHBondContact O-N 3.49Å; V77-A79 VanDerWaalsContact C-N 3.29Å; V77-A79 PolarHBondContact O-N 3.49Å; A79-S81 PolarHBondContact O-N 2.85Å
80Q84.9Confident87.3Confident93 Ų9368 Ų6844%0.43538%0.375SS..  trans-9196.8-179.5-176.396.4-54.500110.1Y43 V77 L78 R82 H83Y43-Q80 HydrophobicContact CE1-CB 4.35Å; Y43-Q80 HydrophobicContact CE1-CG 4.34Å; Y43-Q80 PolarHBondContact OH-NE2 3.49Å; V77-Q80 PolarHBondContact O-N 3.01Å; L78-Q80 PolarHBondContact O-N 3.3Å; Q80-R82 PolarHBondContact O-N 3.2Å; Q80-H83 PolarHBondContact O-CD2 3.37Å; Q80-H83 VanDerWaalsContact O-CD2 3.26Å; Q80-H83 PolarHBondContact O-NE2 2.84Å
81S74.7Confident87.3Confident127 Ų12767.9 Ų67.989%0.88837%0.374SS*.SBendtrans-66.4-11.1-172.8-42.40000115.8A79A79-S81 PolarHBondContact O-N 2.85Å
82R85.3Confident87.4Confident151 Ų15165.5 Ų65.557%0.5737%0.365SS*.  trans-140.7119.4177.9-172.2177-176.1-81.4-5.8110.9Q80 E84 T89Q80-R82 PolarHBondContact O-N 3.2Å; R82-E84 IonicContact CZ-OE2 3.15Å; R82-E84 IonicContact NH1-OE2 3.7Å; R82-E84 PolarHBondContact NH1-OE2 2.72Å; R82-E84 IonicContact NH2-OE2 3.77Å; R82-E84 PolarHBondContact NH2-OE2 3.3Å; R82-T89 HydrophobicContact CG-CG2 4.24Å; R82-T89 PolarHBondContact NH2-OG1 2.68Å
83H87.8Confident87.4Confident1 Ų168 Ų681%0.00537%0.366CS..EExtended strand (participates in β ladder)trans-114.5145171.7-67.9-90.3000110.6Y39 Y43 V77 Q80 T89 I90 P92Y39-H83 HydrophobicContact CE1-CB 4.25Å; Y39-H83 AromaticContact CE1-ND1 3.53Å; Y39-H83 AromaticContact CZ-ND1 3.75Å; Y39-H83 PolarHBondContact OH-ND1 2.79Å; Y39-H83 VanDerWaalsContact OH-ND1 3.07Å; Y43-H83 AromaticContact CE1-CE1 3.85Å; Y43-H83 AromaticContact CE2-CE1 3.96Å; Y43-H83 AromaticContact CZ-CE1 3.52Å; Y43-H83 AromaticContact CZ-ND1 3.73Å; Y43-H83 PolarHBondContact OH-ND1 2.74Å; V77-H83 PolarHBondContact O-NE2 2.85Å; Q80-H83 PolarHBondContact O-CD2 3.37Å; Q80-H83 VanDerWaalsContact O-CD2 3.26Å; Q80-H83 PolarHBondContact O-NE2 2.84Å; H83-T89 VanDerWaalsContact O-CA 3.31Å; H83-T89 WeakPolarHBondContact O-CA 2.99Å; H83-T89 WeakPolarHBondContact O-CG2 3.22Å; H83-I90 HydrophobicContact CB-CD1 3.89Å; H83-I90 HydrophobicContact CB-CG1 3.33Å; H83-I90 PolarHBondContact O-N 2.95Å; H83-P92 WeakPolarHBondContact CD2-CG 3.33Å
84E89Confident87.3Confident79 Ų7971.2 Ų71.237%0.36939%0.385SS..EExtended strand (participates in β ladder)trans-139.7133.1179-166.9174.6155.300109.9Y39 R82 K88Y39-E84 WeakPolarHBondContact CE2-O 3.31Å; R82-E84 IonicContact CZ-OE2 3.15Å; R82-E84 IonicContact NH1-OE2 3.7Å; R82-E84 PolarHBondContact NH1-OE2 2.72Å; R82-E84 IonicContact NH2-OE2 3.77Å; R82-E84 PolarHBondContact NH2-OE2 3.3Å; E84-K88 WeakPolarHBondContact CA-O 3.42Å
85L87.4Confident86.8Confident19 Ų1971.6 Ų71.610%0.09939%0.389CS..EExtended strand (participates in β ladder)trans-143.6135.2-178.8-174.963.9000108L27 T31 L36 Y39 S87 K88 I90L27-L85 HydrophobicContact CD2-CD2 4.45Å; T31-L85 HydrophobicContact CG2-CD2 3.64Å; T31-L85 HydrophobicContact CG2-CG 4.44Å; L36-L85 HydrophobicContact CD1-CD2 3.91Å; Y39-L85 HydrophobicContact CD2-CD1 3.9Å; Y39-L85 HydrophobicContact CG-CD1 4.03Å; L85-S87 VanDerWaalsContact C-N 3.26Å; L85-S87 PolarHBondContact O-N 2.87Å; L85-K88 PolarHBondContact N-O 3.16Å; L85-K88 WeakPolarHBondContact O-CA 3.35Å; L85-K88 WeakPolarHBondContact O-CB 3.45Å; L85-K88 PolarHBondContact O-N 2.6Å; L85-I90 HydrophobicContact CB-CD1 4.21Å; L85-I90 HydrophobicContact CB-CG2 3.96Å
86D83.8Confident86Confident84 Ų8475.2 Ų75.245%0.44940%0.4SS..THydrogen-bonded Turntrans50.843-178.1-49.2-32.3000113.5T31 K88T31-D86 WeakPolarHBondContact CA-OD2 3.2Å; T31-D86 VanDerWaalsContact CB-OD2 3.3Å; T31-D86 WeakPolarHBondContact CB-OD2 3.37Å; T31-D86 PolarHBondContact OG1-OD2 3.17Å; D86-K88 PolarHBondContact O-N 3.49Å
87S85.8Confident84.7Confident117 Ų11772.8 Ų72.882%0.81840%0.397SS*.THydrogen-bonded Turntrans57.225.6-174.7-52.10000114.8L85L85-S87 VanDerWaalsContact C-N 3.26Å; L85-S87 PolarHBondContact O-N 2.87Å
88K89Confident83.1Confident84 Ų8482.5 Ų82.537%0.36543%0.433SS..EExtended strand (participates in β ladder)trans-130.6130.8-178.4-162.2163.4178.8-80.90110.4G26 L27 E84 L85 D86 I90G26-K88 VanDerWaalsContact C-NZ 3.27Å; G26-K88 PolarHBondContact O-NZ 3.23Å; L27-K88 PolarHBondContact O-NZ 2.94Å; E84-K88 WeakPolarHBondContact CA-O 3.42Å; L85-K88 PolarHBondContact N-O 3.16Å; L85-K88 WeakPolarHBondContact O-CA 3.35Å; L85-K88 WeakPolarHBondContact O-CB 3.45Å; L85-K88 PolarHBondContact O-N 2.6Å; D86-K88 PolarHBondContact O-N 3.49Å; K88-I90 PolarHBondContact O-N 3.38Å
89T90Very high81.4Confident76 Ų7685.9 Ų85.947%0.46644%0.441SS..EExtended strand (participates in β ladder)trans-69.9126.9177.3-52.90000109.8R82 H83R82-T89 HydrophobicContact CG-CG2 4.24Å; R82-T89 PolarHBondContact NH2-OG1 2.68Å; H83-T89 VanDerWaalsContact O-CA 3.31Å; H83-T89 WeakPolarHBondContact O-CA 2.99Å; H83-T89 WeakPolarHBondContact O-CG2 3.22Å
90I91.8Very high79.7Confident6 Ų685.5 Ų85.53%0.03144%0.437CS..EExtended strand (participates in β ladder)trans-106.8147.7179.871.1178.7000109.6I24 G25 L27 Y39 F40 H83 L85 K88 P92I24-I90 HydrophobicContact CG2-CB 4.2Å; I24-I90 HydrophobicContact CG2-CD1 4Å; I24-I90 HydrophobicContact CG2-CG1 4.36Å; G25-I90 WeakPolarHBondContact O-CA 3.3Å; L27-I90 HydrophobicContact CD2-CB 4.25Å; L27-I90 HydrophobicContact CD2-CG2 3.74Å; Y39-I90 HydrophobicContact CD1-CD1 4.2Å; Y39-I90 HydrophobicContact CE1-CD1 3.95Å; F40-I90 HydrophobicContact CE2-CD1 4Å; F40-I90 HydrophobicContact CZ-CD1 3.7Å; H83-I90 HydrophobicContact CB-CD1 3.89Å; H83-I90 HydrophobicContact CB-CG1 3.33Å; H83-I90 PolarHBondContact O-N 2.95Å; L85-I90 HydrophobicContact CB-CD1 4.21Å; L85-I90 HydrophobicContact CB-CG2 3.96Å; K88-I90 PolarHBondContact O-N 3.38Å; I90-P92 VanDerWaalsContact O-CD 3.31Å; I90-P92 WeakPolarHBondContact O-CD 3.24Å
91D88.8Confident77.8Confident97 Ų9788 Ų8852%0.51945%0.449SS..EExtended strand (participates in β ladder)trans-115.488.9-176.1-174.8-116.8000109.3G25G25-D91 PolarHBondContact N-O 3.4Å; G25-D91 PolarHBondContact O-N 2.92Å
92P89.1Confident76.5Confident19 Ų1985.4 Ų85.412%0.12343%0.43CS..EExtended strand (participates in β ladder)trans-79.3125.8174.230.7-29.8000110.3M22 F23 I24 F40 V77 H83 I90M22-P92 HydrophobicContact CE-CB 4.07Å; F23-P92 WeakPolarHBondContact O-CA 3.37Å; I24-P92 HydrophobicContact CD1-CB 3.81Å; F40-P92 HydrophobicContact CE1-CB 4.39Å; F40-P92 HydrophobicContact CZ-CB 4.34Å; V77-P92 HydrophobicContact CG1-CB 3.48Å; V77-P92 VanDerWaalsContact CG1-CB 3.48Å; V77-P92 HydrophobicContact CG1-CG 3.52Å; H83-P92 WeakPolarHBondContact CD2-CG 3.33Å; I90-P92 VanDerWaalsContact O-CD 3.31Å; I90-P92 WeakPolarHBondContact O-CD 3.24Å
93K88.5Confident74.5Confident103 Ų10386.6 Ų86.645%0.44844%0.439SS..EExtended strand (participates in β ladder)trans-130.7153.5175.5-166.3165.567.2-172.50109.8M22 F23 A95M22-K93 CarbonylContact C-O 3.57Å; M22-K93 WeakPolarHBondContact CA-O 3.38Å; F23-K93 PolarHBondContact N-O 3.19Å; F23-K93 PolarHBondContact O-N 2.95Å; K93-A95 PolarHBondContact O-N 2.83Å
94V85.1Confident72.5Confident70 Ų7094.7 Ų94.742%0.42448%0.481SS..EExtended strand (participates in β ladder)trans-51.2128168.8-177.80000108.6L78 F96L78-V94 HydrophobicContact CD1-CG2 3.72Å; L78-V94 HydrophobicContact CD2-CG2 4.36Å; V94-F96 PolarHBondContact O-N 2.74Å
95A77.9Confident70.9Confident9 Ų994.7 Ų94.77%0.07449%0.486CS..PPolyproline II helixtrans-69.2120.8176.800000107.8K21 F23 F65 K93 P97K21-A95 HydrophobicContact CB-CB 4.11Å; K21-A95 HydrophobicContact CG-CB 3.96Å; K21-A95 WeakPolarHBondContact O-CB 3.46Å; K21-A95 PolarHBondContact O-N 3.49Å; F23-A95 HydrophobicContact CB-CB 4.41Å; F65-A95 HydrophobicContact CD1-CB 4.32Å; F65-A95 HydrophobicContact CE1-CB 4.47Å; K93-A95 PolarHBondContact O-N 2.83Å; A95-P97 WeakPolarHBondContact O-CD 3.25Å
96F72Confident69.5Low164 Ų16494.9 Ų94.972%0.71949%0.488SS*.PPolyproline II helixtrans-57.8126.2159.8-71-75.8000107.3V94 R98V94-F96 PolarHBondContact O-N 2.74Å; F96-R98 PolarHBondContact O-N 3.03Å
97P63.2Low68.5Low70 Ų7096.8 Ų96.846%0.45549%0.489SS..PPolyproline II helixtrans-50.2122.2176.8-28.635000108.4A95 R99A95-P97 WeakPolarHBondContact O-CD 3.25Å; P97-R99 PolarHBondContact O-N 2.81Å
98R55.6Low68.2Low204 Ų20492.8 Ų92.877%0.7746%0.46SS*.  trans-71.577.8174.4-173.3-179.4-172.8-109.23.7106.2F96 A100F96-R98 PolarHBondContact O-N 3.03Å; R98-A100 PolarHBondContact O-N 3.13Å
99R53.1Low68.1Low151 Ų15194.1 Ų94.157%0.5747%0.466SS*.  trans-44.4111.8166.6-59-175-162.5179.94.1104.7P97 Q101 R107P97-R99 PolarHBondContact O-N 2.81Å; R99-Q101 VanDerWaalsContact C-N 3.31Å; R99-Q101 WeakPolarHBondContact O-CA 3.35Å; R99-Q101 PolarHBondContact O-N 3.37Å; R99-R107 VanDerWaalsContact NH1-CD 3.33Å
100A51.3Low68.1Low71 Ų7193.6 Ų93.659%0.58746%0.457SS*.  trans-58.799.8-174.900000106.6R98 P102R98-A100 PolarHBondContact O-N 3.13Å; A100-P102 WeakPolarHBondContact O-CD 3.17Å
101Q44.9Very low68.1Low145 Ų14593.3 Ų93.368%0.67846%0.455SS*.  trans-48.7103-152.3-81.8-99.4-8.800111.2R99 K103R99-Q101 VanDerWaalsContact C-N 3.31Å; R99-Q101 WeakPolarHBondContact O-CA 3.35Å; R99-Q101 PolarHBondContact O-N 3.37Å; Q101-K103 PolarHBondContact O-N 3Å
102P48Very low68.3Low74 Ų7491.3 Ų91.348%0.48144%0.442SS..  trans-67.2106153.629.5-23.6000102.6A100 L104A100-P102 WeakPolarHBondContact O-CD 3.17Å; P102-L104 PolarHBondContact O-N 3.2Å
103K43.4Very low68.4Low175 Ų17590.5 Ų90.576%0.76144%0.437SS*.  trans-27.4129.6177.8-55.5161.6-175.3169.40109Q101 V105Q101-K103 PolarHBondContact O-N 3Å; K103-V105 HydrophobicContact CB-CG2 4.45Å; K103-V105 WeakPolarHBondContact O-CA 3.35Å; K103-V105 WeakPolarHBondContact O-CB 3.47Å; K103-V105 VanDerWaalsContact O-CG2 3.28Å; K103-V105 WeakPolarHBondContact O-CG2 3.44Å; K103-V105 PolarHBondContact O-N 2.87Å
104L45.5Very low68.5Low172 Ų17285.9 Ų85.990%0.90142%0.418SS*.SBendtrans-3957.7-174.1-170.560.5000116.7P102P102-L104 PolarHBondContact O-N 3.2Å
105V54.5Low68.8Low79 Ų7984.1 Ų84.148%0.47941%0.414SS..  trans-122.687.9-171.2177.30000104.4K103 R107K103-V105 HydrophobicContact CB-CG2 4.45Å; K103-V105 WeakPolarHBondContact O-CA 3.35Å; K103-V105 WeakPolarHBondContact O-CB 3.47Å; K103-V105 VanDerWaalsContact O-CG2 3.28Å; K103-V105 WeakPolarHBondContact O-CG2 3.44Å; K103-V105 PolarHBondContact O-N 2.87Å; V105-R107 PolarHBondContact O-N 3.1Å
106T57.8Low69.4Low23 Ų2383.8 Ų83.814%0.14141%0.411CS..  trans53.566.6149.464.60000114.1T108 K183 P186T106-T108 HydrophobicContact CG2-CG2 4.42Å; T106-T108 PolarHBondContact O-N 3.19Å; T106-T108 PolarHBondContact O-OG1 3.25Å; T106-K183 WeakPolarHBondContact OG1-CB 3.45Å; T106-P186 HydrophobicContact CG2-CG 4.43Å
107R63.5Low70.2Confident124 Ų12477.6 Ų77.647%0.46839%0.388SS..  trans-60.488.4150.2-76.6-152.2151.8-124.7-5.5107.7R99 V105 E160R99-R107 VanDerWaalsContact NH1-CD 3.33Å; V105-R107 PolarHBondContact O-N 3.1Å; R107-E160 WeakPolarHBondContact CA-OE1 3.49Å; R107-E160 WeakPolarHBondContact CB-OE1 3.39Å; R107-E160 WeakPolarHBondContact CD-OE1 3.41Å; R107-E160 WeakPolarHBondContact CG-OE1 3.44Å; R107-E160 IonicContact CZ-OE1 2.69Å; R107-E160 VanDerWaalsContact CZ-OE1 3.24Å; R107-E160 IonicContact CZ-OE2 2.64Å; R107-E160 IonicContact NE-OE1 2.65Å; R107-E160 PolarHBondContact NE-OE1 3.25Å; R107-E160 VanDerWaalsContact NH1-CD 3.28Å; R107-E160 IonicContact NH1-OE1 2.95Å; R107-E160 PolarHBondContact NH1-OE1 2.88Å; R107-E160 VanDerWaalsContact NH1-OE1 3.1Å; R107-E160 IonicContact NH1-OE2 2.68Å; R107-E160 PolarHBondContact NH1-OE2 2.98Å
108T78.3Confident71.3Confident33 Ų3377.7 Ų77.720%0.20239%0.388CS..  trans-132.8137.1-170.747.50000107.8T106 K110T106-T108 HydrophobicContact CG2-CG2 4.42Å; T106-T108 PolarHBondContact O-N 3.19Å; T106-T108 PolarHBondContact O-OG1 3.25Å; T108-K110 PolarHBondContact O-N 2.83Å; T108-K110 PolarHBondContact OG1-O 2.77Å
109K88.3Confident72.8Confident112 Ų11274.6 Ų74.649%0.48739%0.386SS..SBendtrans-72.62.2171.8-64.4-167.1178.1-159.80113.1T156 F157 E158K109-T156 HydrophobicContact CB-CG2 4.15Å; K109-T156 CarbonylContact O-C 3.52Å; K109-T156 WeakPolarHBondContact O-CA 3.25Å; K109-F157 WeakPolarHBondContact CB-O 3.18Å; K109-F157 PolarHBondContact O-N 3.03Å; K109-E158 WeakPolarHBondContact CE-O 3.31Å; K109-E158 PolarHBondContact NZ-O 3.1Å
110K89.6Confident74.4Confident64 Ų6467.5 Ų67.528%0.27836%0.36SS..EExtended strand (participates in β ladder)trans-119.2128.7-167.4-159.9177.7-165.590.70110.6T108 D137 F154 V155 T156 A184T108-K110 PolarHBondContact O-N 2.83Å; T108-K110 PolarHBondContact OG1-O 2.77Å; K110-D137 IonicContact NZ-OD2 3.25Å; K110-F154 HydrophobicContact CD-CB 4.27Å; K110-F154 VanDerWaalsContact CE-CB 3.44Å; K110-F154 HydrophobicContact CG-CB 4.19Å; K110-V155 CarbonylContact C-O 3.52Å; K110-V155 VanDerWaalsContact CA-O 3.28Å; K110-V155 WeakPolarHBondContact CA-O 3.49Å; K110-T156 PolarHBondContact NZ-OG1 3.38Å; K110-A184 HydrophobicContact CB-CB 4.02Å; K110-A184 HydrophobicContact CG-CB 4.09Å; K110-A184 WeakPolarHBondContact O-CB 3.39Å; K110-A184 PolarHBondContact O-N 2.75Å
111I91.6Very high76.3Confident0 Ų066.8 Ų66.80%035%0.349CS..EExtended strand (participates in β ladder)trans-102.3150.4169.356.9169.7000111V113 F129 F154 V155 F157 V163 V166 K182I111-V113 HydrophobicContact CD1-CG2 3.51Å; I111-V113 HydrophobicContact CG1-CG2 3.78Å; I111-F129 HydrophobicContact CD1-CD1 4.2Å; I111-F129 HydrophobicContact CD1-CE1 3.82Å; I111-F129 HydrophobicContact CD1-CE2 4.34Å; I111-F129 HydrophobicContact CD1-CZ 3.91Å; I111-F154 WeakPolarHBondContact O-CA 3.49Å; I111-F154 WeakPolarHBondContact O-CB 3.44Å; I111-V155 HydrophobicContact CD1-CB 4.11Å; I111-V155 HydrophobicContact CG1-CB 3.78Å; I111-V155 WeakPolarHBondContact CG1-O 3.39Å; I111-V155 PolarHBondContact N-O 3.05Å; I111-V155 PolarHBondContact O-N 3.48Å; I111-V155 VanDerWaalsContact O-N 3.13Å; I111-F157 HydrophobicContact CD1-CE2 3.7Å; I111-F157 HydrophobicContact CD1-CZ 4.17Å; I111-F157 HydrophobicContact CG1-CE2 3.88Å; I111-F157 HydrophobicContact CG2-CE2 4.38Å; I111-V163 HydrophobicContact CG2-CB 4.24Å; I111-V163 HydrophobicContact CG2-CG1 3.64Å; I111-V163 HydrophobicContact CG2-CG2 4.13Å; I111-V166 HydrophobicContact CD1-CG1 3.84Å; I111-K182 WeakPolarHBondContact CA-O 3.29Å
112F91.9Very high78.4Confident56 Ų5662.9 Ų62.925%0.24633%0.331CS..EExtended strand (participates in β ladder)trans-88131.9158.8169.5-91.3000108.2F152 F154 C181 K182F112-F152 HydrophobicContact CD2-CD2 4.28Å; F112-F152 HydrophobicContact CE2-CB 3.82Å; F112-F152 AromaticContact CE2-CD2 3.57Å; F112-F152 HydrophobicContact CE2-CD2 3.57Å; F112-F152 HydrophobicContact CE2-CE2 4.35Å; F112-F152 AromaticContact CE2-CG 3.9Å; F112-F152 HydrophobicContact CE2-CG 3.9Å; F112-F152 HydrophobicContact CZ-CB 3.89Å; F112-F152 HydrophobicContact CZ-CD2 4.42Å; F112-F152 HydrophobicContact CZ-CG 4.31Å; F112-F154 HydrophobicContact CB-CD1 4.22Å; F112-F154 HydrophobicContact CB-CE1 4.14Å; F112-F154 HydrophobicContact CD2-CD1 4.42Å; F112-F154 AromaticContact CD2-CE1 3.87Å; F112-F154 HydrophobicContact CD2-CE1 3.87Å; F112-F154 HydrophobicContact CD2-CZ 4.17Å; F112-C181 WeakPolarHBondContact O-CA 3.18Å; F112-K182 HydrophobicContact CD1-CB 4.38Å; F112-K182 PolarHBondContact N-O 2.95Å; F112-K182 PolarHBondContact O-N 3.24Å
113V91.9Very high80.4Confident1 Ų165.5 Ų65.51%0.00634%0.337CS..EExtended strand (participates in β ladder)trans-120.9106.5-179.9-176.90000107.3I111 L116 F129 F152 G153 V155 V179I111-V113 HydrophobicContact CD1-CG2 3.51Å; I111-V113 HydrophobicContact CG1-CG2 3.78Å; V113-L116 HydrophobicContact CG1-CD1 4.14Å; V113-L116 HydrophobicContact CG1-CD2 3.78Å; V113-L116 HydrophobicContact CG1-CG 4.05Å; V113-F129 HydrophobicContact CG1-CE2 3.94Å; V113-F129 HydrophobicContact CG1-CZ 4.13Å; V113-F129 HydrophobicContact CG2-CE2 3.78Å; V113-F129 HydrophobicContact CG2-CZ 3.93Å; V113-F152 CarbonylContact O-C 3.49Å; V113-F152 WeakPolarHBondContact O-CA 3.3Å; V113-F152 WeakPolarHBondContact O-CB 3.16Å; V113-G153 PolarHBondContact N-O 3.2Å; V113-G153 PolarHBondContact O-N 3.46Å; V113-V155 HydrophobicContact CG2-CB 4.45Å; V113-V155 HydrophobicContact CG2-CG2 3.89Å; V113-V179 HydrophobicContact CG1-CG1 3.3Å
114G91.9Very high82.7Confident6 Ų659.3 Ų59.36%0.06231%0.312CS..EExtended strand (participates in β ladder)trans-114.3153.4-175.400000112.9V179 E180G114-V179 CarbonylContact O-C 3.47Å; G114-V179 WeakPolarHBondContact O-CA 3.4Å; G114-V179 VanDerWaalsContact O-CG1 3.28Å; G114-V179 WeakPolarHBondContact O-CG1 3.48Å; G114-E180 PolarHBondContact N-O 3.01Å; G114-E180 PolarHBondContact O-N 3.49Å
115G90.4Very high84.8Confident33 Ų3351.2 Ų51.234%0.3427%0.27SS..  trans8711.6178.200000114.8G151 K177G115-G151 PolarHBondContact N-O 3.43Å; G115-K177 WeakPolarHBondContact O-CD 3.49Å; G115-K177 WeakPolarHBondContact O-CE 3.32Å; G115-K177 PolarHBondContact O-NZ 2.84Å
116L90.9Very high86.6Confident2 Ų252.1 Ų52.11%0.0127%0.268CS..  trans-54.9146.9176.4-63.2169000112.4V113 T120 V125 L140 G151 I174 K177 V179V113-L116 HydrophobicContact CG1-CD1 4.14Å; V113-L116 HydrophobicContact CG1-CD2 3.78Å; V113-L116 HydrophobicContact CG1-CG 4.05Å; L116-T120 HydrophobicContact CD2-CG2 4.1Å; L116-V125 HydrophobicContact CD1-CG2 4.19Å; L116-V125 HydrophobicContact CD2-CG2 3.76Å; L116-L140 HydrophobicContact CD1-CD2 3.35Å; L116-G151 PolarHBondContact N-O 2.99Å; L116-I174 HydrophobicContact CD2-CD1 4.37Å; L116-K177 PolarHBondContact O-NZ 2.65Å; L116-V179 HydrophobicContact CD2-CG1 3.8Å; L116-V179 HydrophobicContact CD2-CG2 3.92Å; L116-V179 HydrophobicContact CG-CG1 4.33Å
117S89.4Confident88.2Confident34 Ų3458.3 Ų58.324%0.23830%0.295CS..  trans-75148.8179.6-167.80000110.4N119 T120 H149S117-N119 PolarHBondContact O-N 2.81Å; S117-T120 WeakPolarHBondContact CB-OG1 3.44Å; S117-T120 PolarHBondContact N-OG1 2.9Å; S117-T120 VanDerWaalsContact O-CB 3.25Å; S117-T120 WeakPolarHBondContact O-CB 3.17Å; S117-T120 PolarHBondContact O-N 3.5Å; S117-T120 PolarHBondContact O-OG1 3.23Å; S117-H149 PolarHBondContact O-CE1 3.42Å; S117-H149 PolarHBondContact O-NE2 3.33Å
118V86.3Confident89.5Confident73 Ų7354.6 Ų54.644%0.44228%0.281SS..THydrogen-bonded Turntrans-58.6-17.9-174.9175.80000113.9R148 H149V118-R148 HydrophobicContact CG1-CG 4.07Å; V118-H149 WeakPolarHBondContact CA-CE1 3.48Å; V118-H149 PolarHBondContact O-NE2 2.87Å
119N86Confident90.1Very high138 Ų13853 Ų5374%0.73827%0.272SS*.THydrogen-bonded Turntrans-103.71.8-179.9-55.4-3.7000112.4S117S117-N119 PolarHBondContact O-N 2.81Å
120T86.9Confident90.2Very high3 Ų351.9 Ų51.92%0.01827%0.271CS..  trans-77.1125.8-177.3-640000110.5L116 S117 D124 V125 L140 H149 I174 N175L116-T120 HydrophobicContact CD2-CG2 4.1Å; S117-T120 WeakPolarHBondContact CB-OG1 3.44Å; S117-T120 PolarHBondContact N-OG1 2.9Å; S117-T120 VanDerWaalsContact O-CB 3.25Å; S117-T120 WeakPolarHBondContact O-CB 3.17Å; S117-T120 PolarHBondContact O-N 3.5Å; S117-T120 PolarHBondContact O-OG1 3.23Å; T120-D124 HydrophobicContact CG2-CB 4.06Å; T120-V125 HydrophobicContact CG2-CG2 3.63Å; T120-L140 WeakPolarHBondContact O-CD1 3.41Å; T120-H149 PolarHBondContact O-CD2 2.96Å; T120-H149 VanDerWaalsContact O-CD2 3.23Å; T120-H149 PolarHBondContact O-NE2 3.03Å; T120-I174 HydrophobicContact CG2-CG2 4.45Å; T120-N175 PolarHBondContact OG1-ND2 3.02Å
121T90.6Very high90.2Very high56 Ų5654.8 Ų54.834%0.34429%0.285SS..  trans-91.4173.6-179.164.30000112.3E123 D124 V125T121-E123 VanDerWaalsContact C-N 3.26Å; T121-E123 VanDerWaalsContact CB-OE2 3.3Å; T121-E123 WeakPolarHBondContact CB-OE2 2.98Å; T121-E123 PolarHBondContact OG1-OE2 3.4Å; T121-D124 PolarHBondContact N-OD2 3.22Å; T121-D124 PolarHBondContact OG1-N 2.83Å; T121-D124 PolarHBondContact OG1-OD1 3.42Å; T121-D124 PolarHBondContact OG1-OD2 3.19Å; T121-V125 WeakPolarHBondContact O-CG2 3.08Å; T121-V125 PolarHBondContact O-N 3.28Å
122I89.6Confident90Very high62 Ų6257.4 Ų57.432%0.31830%0.297SS..Hα-helixtrans-69.5-34.5174.7-66.4161.1000109.3V125 K126 A138 L140I122-V125 PolarHBondContact O-N 3.35Å; I122-K126 WeakPolarHBondContact O-CB 3.33Å; I122-K126 PolarHBondContact O-N 3.17Å; I122-A138 HydrophobicContact CG2-CB 3.96Å; I122-A138 WeakPolarHBondContact CG2-O 3.44Å; I122-L140 HydrophobicContact CG1-CB 4.19Å; I122-L140 HydrophobicContact CG1-CD1 3.91Å; I122-L140 HydrophobicContact CG1-CG 3.71Å
123E90.6Very high89.8Confident129 Ų12955.6 Ų55.660%0.60329%0.294SS*.Hα-helixtrans-62-49.7178.5-64.774.6-171.500111.1T121 V125 K126 Q127T121-E123 VanDerWaalsContact C-N 3.26Å; T121-E123 VanDerWaalsContact CB-OE2 3.3Å; T121-E123 WeakPolarHBondContact CB-OE2 2.98Å; T121-E123 PolarHBondContact OG1-OE2 3.4Å; E123-V125 VanDerWaalsContact C-N 3.32Å; E123-V125 PolarHBondContact O-N 3.09Å; E123-K126 PolarHBondContact O-N 3.39Å; E123-Q127 WeakPolarHBondContact O-CB 3.46Å; E123-Q127 PolarHBondContact O-N 3.02Å
124D90.5Very high89.8Confident45 Ų4561.2 Ų61.224%0.24132%0.319CS..Hα-helixtrans-57.3-45.7176.5-58.1-36000111.6T120 T121 Q127 Y128 N175T120-D124 HydrophobicContact CG2-CB 4.06Å; T121-D124 PolarHBondContact N-OD2 3.22Å; T121-D124 PolarHBondContact OG1-N 2.83Å; T121-D124 PolarHBondContact OG1-OD1 3.42Å; T121-D124 PolarHBondContact OG1-OD2 3.19Å; D124-Q127 PolarHBondContact O-N 3.41Å; D124-Y128 WeakPolarHBondContact O-CB 3.39Å; D124-Y128 PolarHBondContact O-N 3.44Å; D124-N175 PolarHBondContact OD2-ND2 3.27Å; D124-N175 VanDerWaalsContact OD2-ND2 3.09Å
125V90.6Very high89.8Confident2 Ų261.3 Ų61.31%0.01232%0.318CS..Hα-helixtrans-63.7-46.4179.4168.80000110.1L116 T120 T121 I122 E123 Y128 F129 L140 V155L116-V125 HydrophobicContact CD1-CG2 4.19Å; L116-V125 HydrophobicContact CD2-CG2 3.76Å; T120-V125 HydrophobicContact CG2-CG2 3.63Å; T121-V125 WeakPolarHBondContact O-CG2 3.08Å; T121-V125 PolarHBondContact O-N 3.28Å; I122-V125 PolarHBondContact O-N 3.35Å; E123-V125 VanDerWaalsContact C-N 3.32Å; E123-V125 PolarHBondContact O-N 3.09Å; V125-Y128 PolarHBondContact O-N 3.03Å; V125-F129 HydrophobicContact CG1-CD2 3.71Å; V125-F129 HydrophobicContact CG1-CE2 3.88Å; V125-F129 WeakPolarHBondContact O-CD2 3.03Å; V125-F129 PolarHBondContact O-N 2.75Å; V125-L140 HydrophobicContact CG2-CD2 4.39Å; V125-V155 HydrophobicContact CG1-CG2 3.6Å
126K91.3Very high89.9Confident99 Ų9965.2 Ų65.243%0.4333%0.331SS..Hα-helixtrans-62-49.1178-174.8172.6-178.8173.40111.1I122 E123 Y128 F129 D130 V135I122-K126 WeakPolarHBondContact O-CB 3.33Å; I122-K126 PolarHBondContact O-N 3.17Å; E123-K126 PolarHBondContact O-N 3.39Å; K126-Y128 VanDerWaalsContact C-N 3.33Å; K126-Y128 PolarHBondContact O-N 3.07Å; K126-F129 PolarHBondContact O-N 3.15Å; K126-D130 WeakPolarHBondContact O-CB 3.47Å; K126-D130 PolarHBondContact O-N 2.83Å; K126-V135 HydrophobicContact CG-CB 4.16Å; K126-V135 HydrophobicContact CG-CG1 4.21Å
127Q91.6Very high89.8Confident152 Ų15268.6 Ų68.671%0.7135%0.349SS*.Hα-helixtrans-59.4-42.5179.9-177.2176-5.900112E123 D124E123-Q127 WeakPolarHBondContact O-CB 3.46Å; E123-Q127 PolarHBondContact O-N 3.02Å; D124-Q127 PolarHBondContact O-N 3.41Å
128Y91.1Very high89.8Confident47 Ų4767.9 Ų67.918%0.18435%0.345CS..Hα-helixtrans-67.3-40.1176.3-178.6-92.8000112.6D124 V125 K126 Q131 F132 H172 E173 I174D124-Y128 WeakPolarHBondContact O-CB 3.39Å; D124-Y128 PolarHBondContact O-N 3.44Å; V125-Y128 PolarHBondContact O-N 3.03Å; K126-Y128 VanDerWaalsContact C-N 3.33Å; K126-Y128 PolarHBondContact O-N 3.07Å; Y128-Q131 VanDerWaalsContact CE2-NE2 3.31Å; Y128-Q131 WeakPolarHBondContact O-CG 3.29Å; Y128-Q131 PolarHBondContact O-NE2 3.4Å; Y128-F132 HydrophobicContact CD1-CE2 4.18Å; Y128-F132 AromaticContact CE1-CE2 3.58Å; Y128-F132 HydrophobicContact CE1-CE2 3.58Å; Y128-F132 HydrophobicContact CE1-CZ 4.3Å; Y128-F132 AromaticContact CZ-CE2 3.93Å; Y128-H172 HydrophobicContact CE1-CB 3.64Å; Y128-H172 AromaticContact CE1-CG 3.8Å; Y128-H172 AromaticContact CE1-ND1 3.44Å; Y128-H172 WeakPolarHBondContact CE1-ND1 3.44Å; Y128-H172 AromaticContact CZ-ND1 3.66Å; Y128-H172 WeakPolarHBondContact OH-CB 3.34Å; Y128-H172 PolarHBondContact OH-ND1 2.89Å; Y128-E173 WeakPolarHBondContact CE2-O 3.36Å; Y128-I174 HydrophobicContact CD1-CD1 3.47Å; Y128-I174 VanDerWaalsContact CD1-CD1 3.47Å; Y128-I174 HydrophobicContact CD1-CG1 3.67Å; Y128-I174 HydrophobicContact CD2-CG1 4.06Å; Y128-I174 HydrophobicContact CE1-CD1 3.98Å; Y128-I174 HydrophobicContact CE1-CG1 3.9Å; Y128-I174 HydrophobicContact CE2-CG1 4.27Å; Y128-I174 HydrophobicContact CG-CD1 3.86Å; Y128-I174 HydrophobicContact CG-CG1 3.76Å
129F90.5Very high89.9Confident0 Ų068.3 Ų68.30%034%0.343CS..Hα-helixtrans-77.7-25.2-179.7-77.1-60.8000114.1I111 V113 V125 K126 Q131 F132 G133 V135 V155 F157 V166 I174I111-F129 HydrophobicContact CD1-CD1 4.2Å; I111-F129 HydrophobicContact CD1-CE1 3.82Å; I111-F129 HydrophobicContact CD1-CE2 4.34Å; I111-F129 HydrophobicContact CD1-CZ 3.91Å; V113-F129 HydrophobicContact CG1-CE2 3.94Å; V113-F129 HydrophobicContact CG1-CZ 4.13Å; V113-F129 HydrophobicContact CG2-CE2 3.78Å; V113-F129 HydrophobicContact CG2-CZ 3.93Å; V125-F129 HydrophobicContact CG1-CD2 3.71Å; V125-F129 HydrophobicContact CG1-CE2 3.88Å; V125-F129 WeakPolarHBondContact O-CD2 3.03Å; V125-F129 PolarHBondContact O-N 2.75Å; K126-F129 PolarHBondContact O-N 3.15Å; F129-Q131 PolarHBondContact O-N 2.64Å; F129-F132 HydrophobicContact CD1-CD2 4.13Å; F129-F132 PolarHBondContact O-N 2.94Å; F129-G133 PolarHBondContact O-N 2.97Å; F129-V135 HydrophobicContact CB-CG2 3.81Å; F129-V155 HydrophobicContact CB-CG1 4.43Å; F129-V155 HydrophobicContact CD2-CG1 4.46Å; F129-V155 HydrophobicContact CD2-CG2 3.88Å; F129-V155 HydrophobicContact CE2-CG2 4.19Å; F129-F157 HydrophobicContact CB-CE1 3.92Å; F129-F157 HydrophobicContact CB-CZ 3.84Å; F129-F157 AromaticContact CD1-CZ 3.85Å; F129-F157 HydrophobicContact CD1-CZ 3.85Å; F129-F157 HydrophobicContact CG-CZ 4Å; F129-V166 HydrophobicContact CD1-CG1 4.37Å; F129-V166 HydrophobicContact CD1-CG2 4.44Å; F129-V166 HydrophobicContact CE1-CG1 3.78Å; F129-I174 HydrophobicContact CE2-CD1 4.1Å; F129-I174 HydrophobicContact CZ-CD1 4.3Å
130D90.6Very high90.2Very high87 Ų8762.2 Ų62.247%0.46531%0.31SS..Hα-helixtrans-60.4-28.5177.3-150.953000112.4K126 F132 G133K126-D130 WeakPolarHBondContact O-CB 3.47Å; K126-D130 PolarHBondContact O-N 2.83Å; D130-F132 PolarHBondContact O-N 3.13Å; D130-G133 PolarHBondContact O-N 3.25Å
131Q89.2Confident90.3Very high125 Ų12564.9 Ų64.958%0.58432%0.323SS*.THydrogen-bonded Turntrans-65.5-22175.289.2-160.8-5.200113.7Y128 F129Y128-Q131 VanDerWaalsContact CE2-NE2 3.31Å; Y128-Q131 WeakPolarHBondContact O-CG 3.29Å; Y128-Q131 PolarHBondContact O-NE2 3.4Å; F129-Q131 PolarHBondContact O-N 2.64Å
132F87.4Confident90.1Very high56 Ų5667.2 Ų67.225%0.24633%0.329CS..THydrogen-bonded Turntrans-93.4-27.9174-60.1-81.5000111.8Y128 F129 D130 V162 V166 I169 H172Y128-F132 HydrophobicContact CD1-CE2 4.18Å; Y128-F132 AromaticContact CE1-CE2 3.58Å; Y128-F132 HydrophobicContact CE1-CE2 3.58Å; Y128-F132 HydrophobicContact CE1-CZ 4.3Å; Y128-F132 AromaticContact CZ-CE2 3.93Å; F129-F132 HydrophobicContact CD1-CD2 4.13Å; F129-F132 PolarHBondContact O-N 2.94Å; D130-F132 PolarHBondContact O-N 3.13Å; F132-V162 HydrophobicContact CB-CG1 3.87Å; F132-V166 HydrophobicContact CB-CG2 3.88Å; F132-V166 HydrophobicContact CD1-CG2 4.2Å; F132-V166 HydrophobicContact CD2-CG2 4.14Å; F132-V166 HydrophobicContact CG-CG2 3.82Å; F132-I169 HydrophobicContact CE1-CD1 3.76Å; F132-I169 HydrophobicContact CZ-CD1 4.42Å; F132-H172 AromaticContact CE2-CE1 3.84Å; F132-H172 AromaticContact CE2-ND1 3.76Å; F132-H172 AromaticContact CZ-CE1 3.48Å; F132-H172 VanDerWaalsContact CZ-CE1 3.48Å; F132-H172 WeakPolarHBondContact CZ-CE1 3.47Å; F132-H172 AromaticContact CZ-ND1 3.55Å
133G88.4Confident90.1Very high18 Ų1866.8 Ų66.819%0.18633%0.327CS..SBendtrans162.2164.1172.500000113.2F129 D130 V135 F157F129-G133 PolarHBondContact O-N 2.97Å; D130-G133 PolarHBondContact O-N 3.25Å; G133-V135 PolarHBondContact O-N 2.55Å; G133-F157 WeakPolarHBondContact O-CD1 3.49Å
134K92.3Very high90Very high119 Ų11970.3 Ų70.352%0.51734%0.341SS..  trans-55.4119-172.1-179.7154.7160-104.10113.1E158K134-E158 WeakPolarHBondContact CD-OE2 3.41Å; K134-E158 WeakPolarHBondContact CE-OE2 3.2Å; K134-E158 WeakPolarHBondContact CG-OE2 3.31Å; K134-E158 IonicContact NZ-OE1 2.71Å; K134-E158 PolarHBondContact NZ-OE1 3.48Å; K134-E158 IonicContact NZ-OE2 2.7Å; K134-E158 PolarHBondContact NZ-OE2 3Å; K134-E158 PolarHBondContact O-N 3.39Å
135V92.6Very high89.8Confident8 Ų873.7 Ų73.75%0.04836%0.363CS..EExtended strand (participates in β ladder)trans-84.2124176.7177.50000110.3K126 F129 G133 A138 V155 F157K126-V135 HydrophobicContact CG-CB 4.16Å; K126-V135 HydrophobicContact CG-CG1 4.21Å; F129-V135 HydrophobicContact CB-CG2 3.81Å; G133-V135 PolarHBondContact O-N 2.55Å; V135-A138 HydrophobicContact CG1-CB 4.22Å; V135-V155 HydrophobicContact CB-CG1 4.47Å; V135-V155 HydrophobicContact CG1-CG1 3.66Å; V135-V155 HydrophobicContact CG2-CG1 4Å; V135-F157 HydrophobicContact CG2-CD1 4.03Å; V135-F157 HydrophobicContact CG2-CE1 3.79Å
136D91.4Very high89.6Confident115 Ų11577.6 Ų77.662%0.61539%0.387SS*.EExtended strand (participates in β ladder)trans-84.2-48.6178.7-171.858000111.1T156D136-T156 WeakPolarHBondContact CB-O 3.28Å; D136-T156 PolarHBondContact N-O 3.03Å
137D88.4Confident89.3Confident73 Ų7379.1 Ų79.139%0.3940%0.4SS..EExtended strand (participates in β ladder)trans-145.5145.7-179.8166.849.4000110.9K110 T156K110-D137 IonicContact NZ-OD2 3.25Å; D137-T156 PolarHBondContact N-O 3.36Å; D137-T156 VanDerWaalsContact N-O 3.13Å; D137-T156 PolarHBondContact O-N 2.75Å
138A90.4Very high89Confident18 Ų1879.1 Ų79.115%0.14939%0.393CS..EExtended strand (participates in β ladder)trans-141.4121.6177.400000110.3I122 V135 V155I122-A138 HydrophobicContact CG2-CB 3.96Å; I122-A138 WeakPolarHBondContact CG2-O 3.44Å; V135-A138 HydrophobicContact CG1-CB 4.22Å; A138-V155 HydrophobicContact CB-CG2 4.36Å
139M88.9Confident88.8Confident82 Ų8277.8 Ų77.840%0.40439%0.389SS..EExtended strand (participates in β ladder)trans-131.1114-173.8-174.9-175.164.600111.1M141 G153 F154M139-M141 HydrophobicContact CE-SD 3.68Å; M139-G153 CarbonylContact O-C 3.5Å; M139-G153 WeakPolarHBondContact O-CA 3.48Å; M139-F154 HydrophobicContact CE-CD2 4.12Å; M139-F154 PolarHBondContact N-O 2.97Å; M139-F154 PolarHBondContact O-N 3.34Å
140L91Very high88.6Confident10 Ų1085 Ų855%0.05242%0.416CS..EExtended strand (participates in β ladder)trans-81.5142.6167.5-63.8-173.4000110.8L116 T120 I122 V125 F142 H149L116-L140 HydrophobicContact CD1-CD2 3.35Å; T120-L140 WeakPolarHBondContact O-CD1 3.41Å; I122-L140 HydrophobicContact CG1-CB 4.19Å; I122-L140 HydrophobicContact CG1-CD1 3.91Å; I122-L140 HydrophobicContact CG1-CG 3.71Å; V125-L140 HydrophobicContact CG2-CD2 4.39Å; L140-F142 HydrophobicContact CB-CD2 4.45Å; L140-F142 HydrophobicContact CB-CE2 3.7Å; L140-F142 HydrophobicContact CB-CZ 3.98Å; L140-F142 VanDerWaalsContact O-CD2 3.25Å; L140-F142 WeakPolarHBondContact O-CD2 3.48Å; L140-F142 WeakPolarHBondContact O-CE2 3.28Å; L140-H149 HydrophobicContact CB-CB 4.49Å
141M88.8Confident88.5Confident59 Ų5981.7 Ų81.729%0.29140%0.403SS..EExtended strand (participates in β ladder)trans-94.6113.4-178.9-67.9-70.7-84.100109.7M139 R150 F152 F154M139-M141 HydrophobicContact CE-SD 3.68Å; M141-R150 VanDerWaalsContact O-CB 3.31Å; M141-R150 WeakPolarHBondContact O-CB 3.45Å; M141-R150 VanDerWaalsContact O-CG 3.31Å; M141-R150 WeakPolarHBondContact O-CG 3.21Å; M141-R150 PolarHBondContact O-N 3.4Å; M141-F152 HydrophobicContact CB-CD2 4.11Å; M141-F152 HydrophobicContact CB-CE1 4.4Å; M141-F152 HydrophobicContact CB-CE2 3.69Å; M141-F152 HydrophobicContact CB-CZ 3.84Å; M141-F152 HydrophobicContact CG-CD2 4Å; M141-F152 HydrophobicContact CG-CE2 3.55Å; M141-F152 HydrophobicContact CG-CZ 4.15Å; M141-F152 PolarHBondContact N-O 2.88Å; M141-F152 VanDerWaalsContact N-O 3.1Å; M141-F154 HydrophobicContact CE-CE2 4.47Å; M141-F154 HydrophobicContact CG-CD2 4.21Å; M141-F154 HydrophobicContact CG-CE2 3.98Å; M141-F154 HydrophobicContact SD-CE2 4.31Å
142F88.1Confident88.7Confident106 Ų10677.7 Ų77.747%0.46538%0.383SS..EExtended strand (participates in β ladder)trans-92.5148.4-178.2-63.4-95.9000113.1L140 N147 H149L140-F142 HydrophobicContact CB-CD2 4.45Å; L140-F142 HydrophobicContact CB-CE2 3.7Å; L140-F142 HydrophobicContact CB-CZ 3.98Å; L140-F142 VanDerWaalsContact O-CD2 3.25Å; L140-F142 WeakPolarHBondContact O-CD2 3.48Å; L140-F142 WeakPolarHBondContact O-CE2 3.28Å; F142-N147 WeakPolarHBondContact CD1-O 3.09Å; F142-H149 HydrophobicContact CD1-CB 3.81Å; F142-H149 HydrophobicContact CE1-CB 3.72Å; F142-H149 HydrophobicContact CG-CB 4.41Å; F142-H149 HydrophobicContact CZ-CB 4.25Å
143D88.8Confident88.9Confident52 Ų5275.1 Ų75.128%0.27837%0.372SS..  trans-77.8124.7167.317015.1000109T145 T146 N147 R148 R150D143-T145 VanDerWaalsContact CG-OG1 3.29Å; D143-T145 PolarHBondContact O-N 2.98Å; D143-T145 PolarHBondContact OD1-N 3.47Å; D143-T145 PolarHBondContact OD1-OG1 3.49Å; D143-T145 PolarHBondContact OD2-OG1 2.83Å; D143-T146 WeakPolarHBondContact OD2-CB 3.39Å; D143-T146 WeakPolarHBondContact OD2-CG2 3.22Å; D143-T146 PolarHBondContact OD2-N 3.2Å; D143-T146 PolarHBondContact OD2-OG1 3Å; D143-N147 VanDerWaalsContact O-CA 3.26Å; D143-N147 WeakPolarHBondContact O-CA 3.36Å; D143-N147 PolarHBondContact O-N 3.22Å; D143-R148 PolarHBondContact N-O 3.18Å; D143-R150 HydrophobicContact CB-CG 4.12Å
144K87.6Confident89.1Confident204 Ų20476.4 Ų76.489%0.88737%0.373SS*.THydrogen-bonded Turntrans-71-12.8-174.6-150.8174.5-174.4-1790113.4
145T87.7Confident89.1Confident116 Ų11670.8 Ų70.871%0.71235%0.349SS*.THydrogen-bonded Turntrans-96.7-42.8179.5640000112.7D143D143-T145 VanDerWaalsContact CG-OG1 3.29Å; D143-T145 PolarHBondContact O-N 2.98Å; D143-T145 PolarHBondContact OD1-N 3.47Å; D143-T145 PolarHBondContact OD1-OG1 3.49Å; D143-T145 PolarHBondContact OD2-OG1 2.83Å
146T85.8Confident89.1Confident84 Ų8471.4 Ų71.452%0.51535%0.353SS..THydrogen-bonded Turntrans-100.6-8.8-176.861.70000114.5D143 R148D143-T146 WeakPolarHBondContact OD2-CB 3.39Å; D143-T146 WeakPolarHBondContact OD2-CG2 3.22Å; D143-T146 PolarHBondContact OD2-N 3.2Å; D143-T146 PolarHBondContact OD2-OG1 3Å; T146-R148 PolarHBondContact O-N 3.35Å; T146-R148 WeakPolarHBondContact OG1-CB 3.15Å; T146-R148 PolarHBondContact OG1-N 3.49Å
147N84.7Confident89.2Confident131 Ų13166 Ų6670%0.70132%0.323SS*.  trans52.915-168.4-70-71.7000114.7F142 D143F142-N147 WeakPolarHBondContact CD1-O 3.09Å; D143-N147 VanDerWaalsContact O-CA 3.26Å; D143-N147 WeakPolarHBondContact O-CA 3.36Å; D143-N147 PolarHBondContact O-N 3.22Å
148R84.4Confident89.3Confident152 Ų15266 Ų6657%0.57432%0.321SS*.  trans-85.3142.8173.2-172.2179-71.4-164-1.1109.4V118 D143 T146V118-R148 HydrophobicContact CG1-CG 4.07Å; D143-R148 PolarHBondContact N-O 3.18Å; T146-R148 PolarHBondContact O-N 3.35Å; T146-R148 WeakPolarHBondContact OG1-CB 3.15Å; T146-R148 PolarHBondContact OG1-N 3.49Å
149H87.6Confident89.1Confident19 Ų1969.1 Ų69.19%0.08834%0.335CS..EExtended strand (participates in β ladder)trans-66.6146.7173.271.152.4000111S117 V118 T120 L140 F142 G151S117-H149 PolarHBondContact O-CE1 3.42Å; S117-H149 PolarHBondContact O-NE2 3.33Å; V118-H149 WeakPolarHBondContact CA-CE1 3.48Å; V118-H149 PolarHBondContact O-NE2 2.87Å; T120-H149 PolarHBondContact O-CD2 2.96Å; T120-H149 VanDerWaalsContact O-CD2 3.23Å; T120-H149 PolarHBondContact O-NE2 3.03Å; L140-H149 HydrophobicContact CB-CB 4.49Å; F142-H149 HydrophobicContact CD1-CB 3.81Å; F142-H149 HydrophobicContact CE1-CB 3.72Å; F142-H149 HydrophobicContact CG-CB 4.41Å; F142-H149 HydrophobicContact CZ-CB 4.25Å; H149-G151 PolarHBondContact ND1-N 3.39Å; H149-G151 PolarHBondContact O-N 3.23Å; H149-G151 VanDerWaalsContact O-N 3.11Å
150R87Confident88.9Confident151 Ų15167.5 Ų67.557%0.5733%0.327SS*.EExtended strand (participates in β ladder)trans-78.98.2-174.8-63.2172.963.3-169.8-3.8113.9M141 D143 F152M141-R150 VanDerWaalsContact O-CB 3.31Å; M141-R150 WeakPolarHBondContact O-CB 3.45Å; M141-R150 VanDerWaalsContact O-CG 3.31Å; M141-R150 WeakPolarHBondContact O-CG 3.21Å; M141-R150 PolarHBondContact O-N 3.4Å; D143-R150 HydrophobicContact CB-CG 4.12Å; R150-F152 VanDerWaalsContact C-N 3.28Å; R150-F152 HydrophobicContact CB-CD1 3.74Å; R150-F152 HydrophobicContact CB-CE1 3.49Å; R150-F152 VanDerWaalsContact CB-CE1 3.49Å; R150-F152 HydrophobicContact CB-CZ 4.42Å; R150-F152 HydrophobicContact CG-CE1 4.42Å
151G88.6Confident88.7Confident18 Ų1871.6 Ų71.619%0.18635%0.349CS..EExtended strand (participates in β ladder)trans77.913.9-178.400000113.3G115 L116 H149G115-G151 PolarHBondContact N-O 3.43Å; L116-G151 PolarHBondContact N-O 2.99Å; H149-G151 PolarHBondContact ND1-N 3.39Å; H149-G151 PolarHBondContact O-N 3.23Å; H149-G151 VanDerWaalsContact O-N 3.11Å
152F91.9Very high88.7Confident41 Ų4169.3 Ų69.318%0.1834%0.338CS..EExtended strand (participates in β ladder)trans-145.9158.4172.472.6-87.2000111.3F112 V113 M141 R150 F154F112-F152 HydrophobicContact CD2-CD2 4.28Å; F112-F152 HydrophobicContact CE2-CB 3.82Å; F112-F152 AromaticContact CE2-CD2 3.57Å; F112-F152 HydrophobicContact CE2-CD2 3.57Å; F112-F152 HydrophobicContact CE2-CE2 4.35Å; F112-F152 AromaticContact CE2-CG 3.9Å; F112-F152 HydrophobicContact CE2-CG 3.9Å; F112-F152 HydrophobicContact CZ-CB 3.89Å; F112-F152 HydrophobicContact CZ-CD2 4.42Å; F112-F152 HydrophobicContact CZ-CG 4.31Å; V113-F152 CarbonylContact O-C 3.49Å; V113-F152 WeakPolarHBondContact O-CA 3.3Å; V113-F152 WeakPolarHBondContact O-CB 3.16Å; M141-F152 HydrophobicContact CB-CD2 4.11Å; M141-F152 HydrophobicContact CB-CE1 4.4Å; M141-F152 HydrophobicContact CB-CE2 3.69Å; M141-F152 HydrophobicContact CB-CZ 3.84Å; M141-F152 HydrophobicContact CG-CD2 4Å; M141-F152 HydrophobicContact CG-CE2 3.55Å; M141-F152 HydrophobicContact CG-CZ 4.15Å; M141-F152 PolarHBondContact N-O 2.88Å; M141-F152 VanDerWaalsContact N-O 3.1Å; R150-F152 VanDerWaalsContact C-N 3.28Å; R150-F152 HydrophobicContact CB-CD1 3.74Å; R150-F152 HydrophobicContact CB-CE1 3.49Å; R150-F152 VanDerWaalsContact CB-CE1 3.49Å; R150-F152 HydrophobicContact CB-CZ 4.42Å; R150-F152 HydrophobicContact CG-CE1 4.42Å; F152-F154 HydrophobicContact CD2-CE2 4.49Å; F152-F154 HydrophobicContact CE2-CE2 4.27Å
153G92.3Very high88.6Confident1 Ų164.4 Ų64.41%0.0132%0.317CS..EExtended strand (participates in β ladder)trans-152.2-171.4174.800000111.3V113 M139V113-G153 PolarHBondContact N-O 3.2Å; V113-G153 PolarHBondContact O-N 3.46Å; M139-G153 CarbonylContact O-C 3.5Å; M139-G153 WeakPolarHBondContact O-CA 3.48Å
154F93.1Very high88.5Confident45 Ų4565 Ų6520%0.19732%0.318CS..EExtended strand (participates in β ladder)trans-132.9143.4172.1-56.1-92.9000110.1K110 I111 F112 M139 M141 F152 A184K110-F154 HydrophobicContact CD-CB 4.27Å; K110-F154 VanDerWaalsContact CE-CB 3.44Å; K110-F154 HydrophobicContact CG-CB 4.19Å; I111-F154 WeakPolarHBondContact O-CA 3.49Å; I111-F154 WeakPolarHBondContact O-CB 3.44Å; F112-F154 HydrophobicContact CB-CD1 4.22Å; F112-F154 HydrophobicContact CB-CE1 4.14Å; F112-F154 HydrophobicContact CD2-CD1 4.42Å; F112-F154 AromaticContact CD2-CE1 3.87Å; F112-F154 HydrophobicContact CD2-CE1 3.87Å; F112-F154 HydrophobicContact CD2-CZ 4.17Å; M139-F154 HydrophobicContact CE-CD2 4.12Å; M139-F154 PolarHBondContact N-O 2.97Å; M139-F154 PolarHBondContact O-N 3.34Å; M141-F154 HydrophobicContact CE-CE2 4.47Å; M141-F154 HydrophobicContact CG-CD2 4.21Å; M141-F154 HydrophobicContact CG-CE2 3.98Å; M141-F154 HydrophobicContact SD-CE2 4.31Å; F152-F154 HydrophobicContact CD2-CE2 4.49Å; F152-F154 HydrophobicContact CE2-CE2 4.27Å; F154-A184 HydrophobicContact CD1-CB 4.09Å; F154-A184 HydrophobicContact CE1-CB 4.37Å
155V93Very high88.4Confident2 Ų261 Ų611%0.01230%0.301CS..EExtended strand (participates in β ladder)trans-122.9130176.3-179.60000107.8K110 I111 V113 V125 F129 V135 A138 F157K110-V155 CarbonylContact C-O 3.52Å; K110-V155 VanDerWaalsContact CA-O 3.28Å; K110-V155 WeakPolarHBondContact CA-O 3.49Å; I111-V155 HydrophobicContact CD1-CB 4.11Å; I111-V155 HydrophobicContact CG1-CB 3.78Å; I111-V155 WeakPolarHBondContact CG1-O 3.39Å; I111-V155 PolarHBondContact N-O 3.05Å; I111-V155 PolarHBondContact O-N 3.48Å; I111-V155 VanDerWaalsContact O-N 3.13Å; V113-V155 HydrophobicContact CG2-CB 4.45Å; V113-V155 HydrophobicContact CG2-CG2 3.89Å; V125-V155 HydrophobicContact CG1-CG2 3.6Å; F129-V155 HydrophobicContact CB-CG1 4.43Å; F129-V155 HydrophobicContact CD2-CG1 4.46Å; F129-V155 HydrophobicContact CD2-CG2 3.88Å; F129-V155 HydrophobicContact CE2-CG2 4.19Å; V135-V155 HydrophobicContact CB-CG1 4.47Å; V135-V155 HydrophobicContact CG1-CG1 3.66Å; V135-V155 HydrophobicContact CG2-CG1 4Å; A138-V155 HydrophobicContact CB-CG2 4.36Å; V155-F157 HydrophobicContact CG1-CD2 4.45Å; V155-F157 HydrophobicContact CG1-CE1 4.44Å; V155-F157 HydrophobicContact CG1-CE2 4.06Å; V155-F157 HydrophobicContact CG1-CZ 4.05Å
156T91.1Very high88.3Confident21 Ų2155.5 Ų55.513%0.12927%0.267CS..EExtended strand (participates in β ladder)trans-105.2123.6175.1-41.70000107.8K109 K110 D136 D137K109-T156 HydrophobicContact CB-CG2 4.15Å; K109-T156 CarbonylContact O-C 3.52Å; K109-T156 WeakPolarHBondContact O-CA 3.25Å; K110-T156 PolarHBondContact NZ-OG1 3.38Å; D136-T156 WeakPolarHBondContact CB-O 3.28Å; D136-T156 PolarHBondContact N-O 3.03Å; D137-T156 PolarHBondContact N-O 3.36Å; D137-T156 VanDerWaalsContact N-O 3.13Å; D137-T156 PolarHBondContact O-N 2.75Å
157F93.3Very high88.3Confident0 Ų052.2 Ų52.20%025%0.247CC..EExtended strand (participates in β ladder)trans-96.6159175.2-66.3-86.6000111.3K109 I111 F129 G133 V135 V155 N159 V162 V163 V166K109-F157 WeakPolarHBondContact CB-O 3.18Å; K109-F157 PolarHBondContact O-N 3.03Å; I111-F157 HydrophobicContact CD1-CE2 3.7Å; I111-F157 HydrophobicContact CD1-CZ 4.17Å; I111-F157 HydrophobicContact CG1-CE2 3.88Å; I111-F157 HydrophobicContact CG2-CE2 4.38Å; F129-F157 HydrophobicContact CB-CE1 3.92Å; F129-F157 HydrophobicContact CB-CZ 3.84Å; F129-F157 AromaticContact CD1-CZ 3.85Å; F129-F157 HydrophobicContact CD1-CZ 3.85Å; F129-F157 HydrophobicContact CG-CZ 4Å; G133-F157 WeakPolarHBondContact O-CD1 3.49Å; V135-F157 HydrophobicContact CG2-CD1 4.03Å; V135-F157 HydrophobicContact CG2-CE1 3.79Å; V155-F157 HydrophobicContact CG1-CD2 4.45Å; V155-F157 HydrophobicContact CG1-CE1 4.44Å; V155-F157 HydrophobicContact CG1-CE2 4.06Å; V155-F157 HydrophobicContact CG1-CZ 4.05Å; F157-N159 VanDerWaalsContact C-N 3.34Å; F157-V162 HydrophobicContact CD1-CB 4.22Å; F157-V162 HydrophobicContact CD1-CG1 3.61Å; F157-V162 HydrophobicContact CD2-CG1 4.44Å; F157-V162 HydrophobicContact CE1-CG1 3.58Å; F157-V162 HydrophobicContact CE2-CG1 4.41Å; F157-V162 HydrophobicContact CG-CB 4.28Å; F157-V162 HydrophobicContact CG-CG1 4.04Å; F157-V162 HydrophobicContact CZ-CG1 3.99Å; F157-V163 HydrophobicContact CD2-CG2 3.65Å; F157-V163 HydrophobicContact CE2-CG2 4.32Å; F157-V163 HydrophobicContact CG-CG2 4.46Å; F157-V166 HydrophobicContact CZ-CG2 4.43Å
158E90.7Very high88.2Confident75 Ų7552.6 Ų52.635%0.3524%0.244SC..SBendtrans-66.9-38169.9-174.1169.3-149.200111.6K109 K134K109-E158 WeakPolarHBondContact CE-O 3.31Å; K109-E158 PolarHBondContact NZ-O 3.1Å; K134-E158 WeakPolarHBondContact CD-OE2 3.41Å; K134-E158 WeakPolarHBondContact CE-OE2 3.2Å; K134-E158 WeakPolarHBondContact CG-OE2 3.31Å; K134-E158 IonicContact NZ-OE1 2.71Å; K134-E158 PolarHBondContact NZ-OE1 3.48Å; K134-E158 IonicContact NZ-OE2 2.7Å; K134-E158 PolarHBondContact NZ-OE2 3Å; K134-E158 PolarHBondContact O-N 3.39Å
159N86.8Confident88.1Confident82 Ų8249.4 Ų49.444%0.43924%0.238SC..  trans-110.9137-174.5-66.9-43000112.6F157 V162F157-N159 VanDerWaalsContact C-N 3.34Å; N159-V162 HydrophobicContact CB-CG2 4.02Å
160E85.6Confident87.5Confident48 Ų4853.2 Ų53.222%0.22426%0.256CS..Hα-helixtrans-69.3-34.3178.1-162.5-163.2144.800111.8R107 V162 V163 E164R107-E160 WeakPolarHBondContact CA-OE1 3.49Å; R107-E160 WeakPolarHBondContact CB-OE1 3.39Å; R107-E160 WeakPolarHBondContact CD-OE1 3.41Å; R107-E160 WeakPolarHBondContact CG-OE1 3.44Å; R107-E160 IonicContact CZ-OE1 2.69Å; R107-E160 VanDerWaalsContact CZ-OE1 3.24Å; R107-E160 IonicContact CZ-OE2 2.64Å; R107-E160 IonicContact NE-OE1 2.65Å; R107-E160 PolarHBondContact NE-OE1 3.25Å; R107-E160 VanDerWaalsContact NH1-CD 3.28Å; R107-E160 IonicContact NH1-OE1 2.95Å; R107-E160 PolarHBondContact NH1-OE1 2.88Å; R107-E160 VanDerWaalsContact NH1-OE1 3.1Å; R107-E160 IonicContact NH1-OE2 2.68Å; R107-E160 PolarHBondContact NH1-OE2 2.98Å; E160-V162 PolarHBondContact O-N 2.85Å; E160-V163 VanDerWaalsContact O-CB 3.29Å; E160-V163 WeakPolarHBondContact O-CB 3.48Å; E160-V163 PolarHBondContact O-N 2.86Å; E160-E164 PolarHBondContact O-N 2.95Å
161D85.5Confident87.6Confident96 Ų9651.8 Ų51.851%0.51325%0.254SS..Hα-helixtrans-68.2-21.1-174.5-43.5-68.6000112.9K165D161-K165 WeakPolarHBondContact O-CG 3.4Å; D161-K165 PolarHBondContact O-N 3.42Å
162V88.2Confident87.6Confident12 Ų1251 Ų517%0.07325%0.245CC..Hα-helixtrans-70.5-38172.7-177.90000110.5F132 F157 N159 E160 E164 K165 V166F132-V162 HydrophobicContact CB-CG1 3.87Å; F157-V162 HydrophobicContact CD1-CB 4.22Å; F157-V162 HydrophobicContact CD1-CG1 3.61Å; F157-V162 HydrophobicContact CD2-CG1 4.44Å; F157-V162 HydrophobicContact CE1-CG1 3.58Å; F157-V162 HydrophobicContact CE2-CG1 4.41Å; F157-V162 HydrophobicContact CG-CB 4.28Å; F157-V162 HydrophobicContact CG-CG1 4.04Å; F157-V162 HydrophobicContact CZ-CG1 3.99Å; N159-V162 HydrophobicContact CB-CG2 4.02Å; E160-V162 PolarHBondContact O-N 2.85Å; V162-E164 VanDerWaalsContact C-N 3.3Å; V162-E164 PolarHBondContact O-N 2.8Å; V162-K165 PolarHBondContact O-N 2.76Å; V162-V166 HydrophobicContact CG1-CG2 4.33Å; V162-V166 WeakPolarHBondContact O-CB 3.25Å; V162-V166 WeakPolarHBondContact O-CG2 3.28Å; V162-V166 PolarHBondContact O-N 2.99Å
163V87.4Confident87.4Confident2 Ų254.2 Ų54.21%0.01226%0.261CS..Hα-helixtrans-63.7-37.4176.6172.70000111.2I111 F157 E160 C167 K183I111-V163 HydrophobicContact CG2-CB 4.24Å; I111-V163 HydrophobicContact CG2-CG1 3.64Å; I111-V163 HydrophobicContact CG2-CG2 4.13Å; F157-V163 HydrophobicContact CD2-CG2 3.65Å; F157-V163 HydrophobicContact CE2-CG2 4.32Å; F157-V163 HydrophobicContact CG-CG2 4.46Å; E160-V163 VanDerWaalsContact O-CB 3.29Å; E160-V163 WeakPolarHBondContact O-CB 3.48Å; E160-V163 PolarHBondContact O-N 2.86Å; V163-C167 VanDerWaalsContact O-CB 3.29Å; V163-C167 WeakPolarHBondContact O-CB 3.47Å; V163-C167 PolarHBondContact O-N 2.9Å; V163-C167 PolarHBondContact O-SG 3.09Å; V163-K183 HydrophobicContact CG1-CG 4.2Å
164E85.5Confident87.2Confident64 Ų6454.4 Ų54.430%0.29926%0.261SS..Hα-helixtrans-60.5-56.2175.5-161.7112.1-96.300110.6E160 V162 V166 C167 E168 K183E160-E164 PolarHBondContact O-N 2.95Å; V162-E164 VanDerWaalsContact C-N 3.3Å; V162-E164 PolarHBondContact O-N 2.8Å; E164-V166 PolarHBondContact O-N 3.35Å; E164-C167 PolarHBondContact O-N 3.48Å; E164-E168 WeakPolarHBondContact O-CG 3.43Å; E164-E168 PolarHBondContact O-N 3.23Å; E164-K183 IonicContact OE1-NZ 3.98Å; E164-K183 PolarHBondContact OE1-NZ 3.47Å
165K85.9Confident86.7Confident122 Ų12256.1 Ų56.153%0.5327%0.273SS..Hα-helixtrans-57.4-43.9179.4-64.8173.1-175.8179.90113.6D161 V162 C167 E168 I169D161-K165 WeakPolarHBondContact O-CG 3.4Å; D161-K165 PolarHBondContact O-N 3.42Å; V162-K165 PolarHBondContact O-N 2.76Å; K165-C167 VanDerWaalsContact C-N 3.31Å; K165-C167 PolarHBondContact O-N 2.75Å; K165-E168 PolarHBondContact O-N 2.78Å; K165-I169 WeakPolarHBondContact O-CG1 3.38Å; K165-I169 PolarHBondContact O-N 2.85Å
166V86.7Confident86.4Confident0 Ų063 Ų630%031%0.309CS..Hα-helixtrans-67.3-33.2177.81700000111.4I111 F129 F132 F157 V162 E164 H172 C181I111-V166 HydrophobicContact CD1-CG1 3.84Å; F129-V166 HydrophobicContact CD1-CG1 4.37Å; F129-V166 HydrophobicContact CD1-CG2 4.44Å; F129-V166 HydrophobicContact CE1-CG1 3.78Å; F132-V166 HydrophobicContact CB-CG2 3.88Å; F132-V166 HydrophobicContact CD1-CG2 4.2Å; F132-V166 HydrophobicContact CD2-CG2 4.14Å; F132-V166 HydrophobicContact CG-CG2 3.82Å; F157-V166 HydrophobicContact CZ-CG2 4.43Å; V162-V166 HydrophobicContact CG1-CG2 4.33Å; V162-V166 WeakPolarHBondContact O-CB 3.25Å; V162-V166 WeakPolarHBondContact O-CG2 3.28Å; V162-V166 PolarHBondContact O-N 2.99Å; E164-V166 PolarHBondContact O-N 3.35Å; V166-H172 PolarHBondContact O-NE2 3.47Å; V166-C181 HydrophobicContact CG1-CB 3.84Å
167C84.4Confident86.2Confident14 Ų1465.8 Ų65.810%0.09532%0.32CS..Hα-helixtrans-77.6-24.4176-680000113.7V163 E164 K165 H170 K183V163-C167 VanDerWaalsContact O-CB 3.29Å; V163-C167 WeakPolarHBondContact O-CB 3.47Å; V163-C167 PolarHBondContact O-N 2.9Å; V163-C167 PolarHBondContact O-SG 3.09Å; E164-C167 PolarHBondContact O-N 3.48Å; K165-C167 VanDerWaalsContact C-N 3.31Å; K165-C167 PolarHBondContact O-N 2.75Å; C167-H170 PolarHBondContact O-CE1 3.24Å; C167-H170 VanDerWaalsContact O-CE1 3.24Å; C167-H170 PolarHBondContact O-ND1 3.47Å; C167-H170 PolarHBondContact O-NE2 3.25Å; C167-K183 HydrophobicContact CB-CG 4.15Å; C167-K183 WeakPolarHBondContact SG-CG 2.98Å; C167-K183 PolarHBondContact SG-N 3.25Å; C167-K183 VanDerWaalsContact SG-N 3.39Å
168E82.9Confident86Confident139 Ų13971.3 Ų71.365%0.6535%0.347SS*.Hα-helixtrans-68.5-37.4173.4-73.8172.3174.600112.3E164 K165 H170E164-E168 WeakPolarHBondContact O-CG 3.43Å; E164-E168 PolarHBondContact O-N 3.23Å; K165-E168 PolarHBondContact O-N 2.78Å; E168-H170 VanDerWaalsContact C-N 3.31Å; E168-H170 PolarHBondContact O-N 2.86Å
169I81.8Confident86.1Confident85 Ų8567.8 Ų67.844%0.43633%0.33SS..Hα-helixtrans-70.8-28.8-179.7-65166.5000111.5F132 K165 F171F132-I169 HydrophobicContact CE1-CD1 3.76Å; F132-I169 HydrophobicContact CZ-CD1 4.42Å; K165-I169 WeakPolarHBondContact O-CG1 3.38Å; K165-I169 PolarHBondContact O-N 2.85Å; I169-F171 WeakPolarHBondContact CG2-O 3.13Å; I169-F171 PolarHBondContact O-N 2.91Å
170H76.1Confident86.2Confident100 Ų10067 Ų6746%0.46332%0.324SS..  trans60.1-42.5-179.5-75.6-64.2000116.9C167 E168 E180 C181C167-H170 PolarHBondContact O-CE1 3.24Å; C167-H170 VanDerWaalsContact O-CE1 3.24Å; C167-H170 PolarHBondContact O-ND1 3.47Å; C167-H170 PolarHBondContact O-NE2 3.25Å; E168-H170 VanDerWaalsContact C-N 3.31Å; E168-H170 PolarHBondContact O-N 2.86Å; H170-E180 WeakPolarHBondContact O-CA 3.35Å; H170-C181 PolarHBondContact O-N 2.87Å
171F88.3Confident86.5Confident120 Ų12064.7 Ų64.753%0.52631%0.313SS..EExtended strand (participates in β ladder)trans-122.9123.3-176.8-64.3-79.6000111.4I169 M178 V179I169-F171 WeakPolarHBondContact CG2-O 3.13Å; I169-F171 PolarHBondContact O-N 2.91Å; F171-M178 HydrophobicContact CB-CE 3.69Å; F171-M178 HydrophobicContact CD1-CE 4.33Å; F171-M178 HydrophobicContact CG-CE 4.16Å; F171-V179 WeakPolarHBondContact CA-O 3.45Å
172H88.7Confident86.7Confident2 Ų264.6 Ų64.61%0.00931%0.308CS..EExtended strand (participates in β ladder)trans-119.2136.3-179-71.9-88.7000110Y128 F132 V166 V179 C181Y128-H172 HydrophobicContact CE1-CB 3.64Å; Y128-H172 AromaticContact CE1-CG 3.8Å; Y128-H172 AromaticContact CE1-ND1 3.44Å; Y128-H172 WeakPolarHBondContact CE1-ND1 3.44Å; Y128-H172 AromaticContact CZ-ND1 3.66Å; Y128-H172 WeakPolarHBondContact OH-CB 3.34Å; Y128-H172 PolarHBondContact OH-ND1 2.89Å; F132-H172 AromaticContact CE2-CE1 3.84Å; F132-H172 AromaticContact CE2-ND1 3.76Å; F132-H172 AromaticContact CZ-CE1 3.48Å; F132-H172 VanDerWaalsContact CZ-CE1 3.48Å; F132-H172 WeakPolarHBondContact CZ-CE1 3.47Å; F132-H172 AromaticContact CZ-ND1 3.55Å; V166-H172 PolarHBondContact O-NE2 3.47Å; H172-V179 PolarHBondContact N-O 3.27Å; H172-V179 WeakPolarHBondContact O-CA 3.37Å; H172-V179 WeakPolarHBondContact O-CB 3.08Å; H172-V179 PolarHBondContact O-N 3.23Å; H172-C181 PolarHBondContact CD2-SG 2.98Å
173E88.6Confident86.7Confident108 Ų10866.3 Ų66.351%0.50532%0.315SS..EExtended strand (participates in β ladder)trans-91.4117.5173.6-167.2179.816200110.2Y128 N176 K177Y128-E173 WeakPolarHBondContact CE2-O 3.36Å; E173-N176 WeakPolarHBondContact OE1-CA 3.49Å; E173-N176 PolarHBondContact OE1-ND2 3.43Å; E173-K177 WeakPolarHBondContact CA-O 3.26Å
174I87.6Confident86.5Confident5 Ų566.5 Ų66.53%0.02632%0.316CS..EExtended strand (participates in β ladder)trans-130.2127176.4-48.9-177.1000108L116 T120 Y128 F129 N176 K177 V179L116-I174 HydrophobicContact CD2-CD1 4.37Å; T120-I174 HydrophobicContact CG2-CG2 4.45Å; Y128-I174 HydrophobicContact CD1-CD1 3.47Å; Y128-I174 VanDerWaalsContact CD1-CD1 3.47Å; Y128-I174 HydrophobicContact CD1-CG1 3.67Å; Y128-I174 HydrophobicContact CD2-CG1 4.06Å; Y128-I174 HydrophobicContact CE1-CD1 3.98Å; Y128-I174 HydrophobicContact CE1-CG1 3.9Å; Y128-I174 HydrophobicContact CE2-CG1 4.27Å; Y128-I174 HydrophobicContact CG-CD1 3.86Å; Y128-I174 HydrophobicContact CG-CG1 3.76Å; F129-I174 HydrophobicContact CE2-CD1 4.1Å; F129-I174 HydrophobicContact CZ-CD1 4.3Å; I174-N176 VanDerWaalsContact C-N 3.29Å; I174-N176 PolarHBondContact O-N 2.69Å; I174-K177 PolarHBondContact N-O 2.86Å; I174-K177 PolarHBondContact O-N 2.65Å; I174-V179 HydrophobicContact CB-CG2 3.95Å; I174-V179 HydrophobicContact CD1-CB 4.38Å; I174-V179 HydrophobicContact CD1-CG1 4.34Å; I174-V179 HydrophobicContact CD1-CG2 4.12Å; I174-V179 HydrophobicContact CG1-CB 4.43Å; I174-V179 HydrophobicContact CG1-CG2 3.96Å
175N83.3Confident86.2Confident81 Ų8167.1 Ų67.143%0.43332%0.319SS..THydrogen-bonded Turntrans48.548.2-176-66.9-18.7000112.9T120 D124 K177T120-N175 PolarHBondContact OG1-ND2 3.02Å; D124-N175 PolarHBondContact OD2-ND2 3.27Å; D124-N175 VanDerWaalsContact OD2-ND2 3.09Å; N175-K177 PolarHBondContact O-N 2.92Å
176N85.1Confident85.4Confident146 Ų14664 Ų6478%0.78131%0.311SS*.THydrogen-bonded Turntrans53.829.6-176.8-59.4110.2000115.3E173 I174E173-N176 WeakPolarHBondContact OE1-CA 3.49Å; E173-N176 PolarHBondContact OE1-ND2 3.43Å; I174-N176 VanDerWaalsContact C-N 3.29Å; I174-N176 PolarHBondContact O-N 2.69Å
177K88.6Confident84.1Confident80 Ų8073 Ų7335%0.34835%0.351SS..EExtended strand (participates in β ladder)trans-128.3138.8175.5-163.7179.1177.6-155.90110.6G115 L116 E173 I174 N175 V179G115-K177 WeakPolarHBondContact O-CD 3.49Å; G115-K177 WeakPolarHBondContact O-CE 3.32Å; G115-K177 PolarHBondContact O-NZ 2.84Å; L116-K177 PolarHBondContact O-NZ 2.65Å; E173-K177 WeakPolarHBondContact CA-O 3.26Å; I174-K177 PolarHBondContact N-O 2.86Å; I174-K177 PolarHBondContact O-N 2.65Å; N175-K177 PolarHBondContact O-N 2.92Å; K177-V179 PolarHBondContact O-N 3.11Å
178M88.9Confident82.7Confident117 Ų11780.7 Ų80.758%0.57639%0.385SS*.EExtended strand (participates in β ladder)trans-72.4123.2173.6-65.7-68.1-8500110.4F171F171-M178 HydrophobicContact CB-CE 3.69Å; F171-M178 HydrophobicContact CD1-CE 4.33Å; F171-M178 HydrophobicContact CG-CE 4.16Å
179V92Very high81.1Confident0 Ų079 Ų790%038%0.384CS..EExtended strand (participates in β ladder)trans-117.2125.5-177.3-178.90000108.4V113 G114 L116 F171 H172 I174 K177V113-V179 HydrophobicContact CG1-CG1 3.3Å; G114-V179 CarbonylContact O-C 3.47Å; G114-V179 WeakPolarHBondContact O-CA 3.4Å; G114-V179 VanDerWaalsContact O-CG1 3.28Å; G114-V179 WeakPolarHBondContact O-CG1 3.48Å; L116-V179 HydrophobicContact CD2-CG1 3.8Å; L116-V179 HydrophobicContact CD2-CG2 3.92Å; L116-V179 HydrophobicContact CG-CG1 4.33Å; F171-V179 WeakPolarHBondContact CA-O 3.45Å; H172-V179 PolarHBondContact N-O 3.27Å; H172-V179 WeakPolarHBondContact O-CA 3.37Å; H172-V179 WeakPolarHBondContact O-CB 3.08Å; H172-V179 PolarHBondContact O-N 3.23Å; I174-V179 HydrophobicContact CB-CG2 3.95Å; I174-V179 HydrophobicContact CD1-CB 4.38Å; I174-V179 HydrophobicContact CD1-CG1 4.34Å; I174-V179 HydrophobicContact CD1-CG2 4.12Å; I174-V179 HydrophobicContact CG1-CB 4.43Å; I174-V179 HydrophobicContact CG1-CG2 3.96Å; K177-V179 PolarHBondContact O-N 3.11Å
180E89.8Confident79.7Confident65 Ų6581.2 Ų81.230%0.30439%0.394SS..EExtended strand (participates in β ladder)trans-88.6128.3179.3-171.2-173.4-138.900110.5G114 H170 K182G114-E180 PolarHBondContact N-O 3.01Å; G114-E180 PolarHBondContact O-N 3.49Å; H170-E180 WeakPolarHBondContact O-CA 3.35Å; E180-K182 WeakPolarHBondContact OE1-CE 3.33Å; E180-K182 IonicContact OE1-NZ 3.1Å; E180-K182 PolarHBondContact OE1-NZ 3.44Å; E180-K182 WeakPolarHBondContact OE2-CE 3.39Å; E180-K182 IonicContact OE2-NZ 2.87Å; E180-K182 PolarHBondContact OE2-NZ 3.03Å
181C90.9Very high78.1Confident0 Ų080.2 Ų80.20%040%0.399CS..EExtended strand (participates in β ladder)trans-111.4131.8176.7-68.20000111.8F112 V166 H170 H172F112-C181 WeakPolarHBondContact O-CA 3.18Å; V166-C181 HydrophobicContact CG1-CB 3.84Å; H170-C181 PolarHBondContact O-N 2.87Å; H172-C181 PolarHBondContact CD2-SG 2.98Å
182K89.2Confident76.1Confident94 Ų9480.2 Ų80.241%0.40941%0.411SS..EExtended strand (participates in β ladder)trans-139.7149.2-179.5-74.6172.4173.61530110.6I111 F112 E180 A184I111-K182 WeakPolarHBondContact CA-O 3.29Å; F112-K182 HydrophobicContact CD1-CB 4.38Å; F112-K182 PolarHBondContact N-O 2.95Å; F112-K182 PolarHBondContact O-N 3.24Å; E180-K182 WeakPolarHBondContact OE1-CE 3.33Å; E180-K182 IonicContact OE1-NZ 3.1Å; E180-K182 PolarHBondContact OE1-NZ 3.44Å; E180-K182 WeakPolarHBondContact OE2-CE 3.39Å; E180-K182 IonicContact OE2-NZ 2.87Å; E180-K182 PolarHBondContact OE2-NZ 3.03Å; K182-A184 PolarHBondContact O-N 2.84Å
183K87.9Confident74.3Confident49 Ų4987.5 Ų87.521%0.21346%0.455CS..EExtended strand (participates in β ladder)trans-58.4124.7171.4-62.5-167.4179.5-170.80109.3T106 V163 E164 C167 Q185T106-K183 WeakPolarHBondContact OG1-CB 3.45Å; V163-K183 HydrophobicContact CG1-CG 4.2Å; E164-K183 IonicContact OE1-NZ 3.98Å; E164-K183 PolarHBondContact OE1-NZ 3.47Å; C167-K183 HydrophobicContact CB-CG 4.15Å; C167-K183 WeakPolarHBondContact SG-CG 2.98Å; C167-K183 PolarHBondContact SG-N 3.25Å; C167-K183 VanDerWaalsContact SG-N 3.39Å; K183-Q185 PolarHBondContact O-N 3.31Å; K183-Q185 PolarHBondContact O-NE2 2.96Å
184A83.4Confident72.3Confident5 Ų585.5 Ų85.54%0.04146%0.464CS..PPolyproline II helixtrans-67.1123.9-175.300000110K110 F154 K182K110-A184 HydrophobicContact CB-CB 4.02Å; K110-A184 HydrophobicContact CG-CB 4.09Å; K110-A184 WeakPolarHBondContact O-CB 3.39Å; K110-A184 PolarHBondContact O-N 2.75Å; F154-A184 HydrophobicContact CD1-CB 4.09Å; F154-A184 HydrophobicContact CE1-CB 4.37Å; K182-A184 PolarHBondContact O-N 2.84Å
185Q79.4Confident70.3Confident77 Ų7791.4 Ų91.436%0.3651%0.505SS..PPolyproline II helixtrans-72.3129171.1-62.1-54.3-57.500109.2K183 K187 M190K183-Q185 PolarHBondContact O-N 3.31Å; K183-Q185 PolarHBondContact O-NE2 2.96Å; Q185-K187 PolarHBondContact O-N 2.88Å; Q185-M190 HydrophobicContact CB-CE 4.18Å
186P69.9Low68.5Low56 Ų5692.5 Ų92.536%0.36453%0.526SS..PPolyproline II helixtrans-61.4140175.123.9-31.1000109.8T106 E188 V189T106-P186 HydrophobicContact CG2-CG 4.43Å; P186-E188 PolarHBondContact O-N 3.28Å; P186-V189 HydrophobicContact CG-CG2 4Å; P186-V189 PolarHBondContact O-N 3.35Å
187K59Low66.5Low190 Ų19098 Ų9883%0.82654%0.536SS*.G310 helixtrans-57.8-26.8-169.4-168.1178.8176.4-172.20113.6Q185 V189 M190Q185-K187 PolarHBondContact O-N 2.88Å; K187-V189 VanDerWaalsContact C-N 3.26Å; K187-V189 PolarHBondContact O-N 2.89Å; K187-M190 PolarHBondContact O-N 2.97Å; K187-M190 VanDerWaalsContact O-N 3.09Å
188E54.4Low64Low175 Ų17597.6 Ų97.682%0.81856%0.555SS**G310 helixtrans-58.7-34.1175.6-64.9172.1-164.700112.9P186 S191P186-E188 PolarHBondContact O-N 3.28Å; E188-S191 PolarHBondContact O-OG 2.79Å
189V50.9Low62Low103 Ų103104.3 Ų104.362%0.62457%0.574SS**G310 helixtrans-80.9-17.9178.3-173.90000111.9P186 K187 S191P186-V189 HydrophobicContact CG-CG2 4Å; P186-V189 PolarHBondContact O-N 3.35Å; K187-V189 VanDerWaalsContact C-N 3.26Å; K187-V189 PolarHBondContact O-N 2.89Å; V189-S191 VanDerWaalsContact C-N 3.34Å
190M51.4Low59.2Low133 Ų133109.7 Ų109.766%0.65561%0.611SS**G310 helixtrans-95.219.8-178.2-150.986.982.700113.4Q185 K187Q185-M190 HydrophobicContact CB-CE 4.18Å; K187-M190 PolarHBondContact O-N 2.97Å; K187-M190 VanDerWaalsContact O-N 3.09Å
191S43.2Very low57.1Low79 Ų79118.2 Ų118.255%0.55264%0.641SS**SBendtrans-62.9122.4167.4-58.40000108.8E188 V189 T193E188-S191 PolarHBondContact O-OG 2.79Å; V189-S191 VanDerWaalsContact C-N 3.34Å; S191-T193 PolarHBondContact O-N 2.83Å
192P46Very low54.4Low120 Ų120124.6 Ų124.678%0.77968%0.679SS**  trans-68.5110.6-177.126-32.8000110.4G194P192-G194 PolarHBondContact O-N 2.76Å
193T49.9Very low51.9Low154 Ų154128.1 Ų128.195%0.94570%0.699SS**  trans-65.475167.9-50.90000109.6S191S191-T193 PolarHBondContact O-N 2.83Å
194G47Very low50.1Low66 Ų66130.2 Ų130.268%0.6872%0.718SS**  trans-151.719.1-16400000114.9P192P192-G194 PolarHBondContact O-N 2.76Å
195S45.8Very low47.8Very low129 Ų129141 Ų14190%0.90276%0.759SS**SBendtrans-160.452.2167.6-132.70000113.1
196A44.6Very low46.1Very low105 Ų105140.9 Ų140.987%0.86878%0.779SS**  trans-149.248.7179.700000113.8
197R44.6Very low44.5Very low260 Ų260147.1 Ų147.198%0.98181%0.805SS**  trans-110.179.2167.5-167.4-179.4-178.498.7-4.3110.1
198G35.8Very low43.2Very low73 Ų73145.6 Ų145.675%0.75381%0.806SS**  trans-166.187.3-17800000112S200G198-S200 PolarHBondContact O-N 3.04Å
199R47Very low42.8Very low257 Ų257142.1 Ų142.197%0.9781%0.807SS**  trans-32.5125.4177.4-68.6169168.9158-5.8114.2
200S33Very low42Very low113 Ų113146.5 Ų146.579%0.7982%0.818SS**  trans-140130.1130.3-1650000110.1G198G198-S200 PolarHBondContact O-N 3.04Å
201R46.2Very low41.3Very low245 Ų245147.5 Ų147.593%0.92582%0.823SS**  trans-85.4122.7170.9-64.1173.3178.7163.1-4.5107.2
202V33.7Very low41.3Very low133 Ų133152.6 Ų152.681%0.80684%0.843SS**  trans-139.7112154.4-176.60000107.9
203M36.1Very low40.6Very low169 Ų169149.5 Ų149.583%0.83383%0.833SS**  trans-75.5154.6162.2-93.4-68-170.200108.7
204P49.7Very low40.2Very low92 Ų92151.1 Ų151.160%0.59783%0.834SS**  trans-71.8152-172.432.9-36.2000111.2
205Y35.3Very low39.5Very low232 Ų232151.4 Ų151.491%0.9184%0.837SS**  -176.6139.4123.5-94.2-66.7000107.3
206G45.2Very low39Very low75 Ų75154.2 Ų154.277%0.77384%0.838SS**  trans-76.9139.7175.600000110.8
207M35Very low38.6Very low186 Ų186158.1 Ų158.192%0.91684%0.843SS**  trans-155.8157.6157.9-104.1175.680.500109.4
208D33Very low37.9Very low158 Ų158149.3 Ų149.385%0.84583%0.834SS**  trans-61.9160.2-156.6-74.8-101.2000119.3F210D208-F210 PolarHBondContact O-N 3.17Å
209A44.6Very low37.7Very low103 Ų103156.9 Ų156.985%0.85184%0.841SS**  trans-71.3112.2167.500000111.7
210F35.2Very low37.7Very low194 Ų194150.1 Ų150.185%0.85183%0.831SS**  trans-150.4158.6157.1-160.4-111.1000110.9D208D208-F210 PolarHBondContact O-N 3.17Å
211M36.7Very low37.4Very low155 Ų155148.2 Ų148.276%0.76483%0.829SS**  trans65.267.1-178.9-76.817662.800117.5
212L42.2Very low36.8Very low186 Ų186146.4 Ų146.497%0.97483%0.828SS**  -81.1125.5129.8-82.5170.1000108.5
213G31.3Very low36.8Very low54 Ų54148.5 Ų148.556%0.55783%0.829SS**  trans150.5139167.500000114.6
214I41.4Very low36.6Very low188 Ų188146.4 Ų146.496%0.96483%0.826SS**  trans70.1120.4176.7-39.9159.4000113.2
215G33.4Very low35.8Very low73 Ų73146.4 Ų146.475%0.75383%0.834SS**  cis-178.3132-7.100000109.8
216M34.1Very low35.5Very low188 Ų188141.5 Ų141.593%0.92683%0.828SS**  trans-97.6114.1175.1-92.5-77.1-171.300109.8
217L36.2Very low34.8Very low186 Ų186147.2 Ų147.297%0.97483%0.828SS**  trans-171136156.7-131.980.5000110.9
218G30.6Very low34.7Very low76 Ų76145.2 Ų145.278%0.78483%0.827SS**  trans141.390.8164.800000117.8
219Y31.1Very low34.6Very low232 Ų232141.9 Ų141.991%0.9182%0.816SS**  trans-78.9178.1158.2-91.8-112.8000110.1
220P46.8Very low33.8Very low114 Ų114147.7 Ų147.774%0.7482%0.815SS**  -138.8164.2-50.338.9-22.3000115
221G28.6Very low33.4Very low74 Ų74143.7 Ų143.776%0.76381%0.811SS**  trans74.3122.8142.500000121
222F31.8Very low33.2Very low206 Ų206147.1 Ų147.190%0.90482%0.818SS**  trans-153.5145.5140.7-145.2-107000111.6
223Q34.4Very low32.6Very low177 Ų177142.9 Ų142.983%0.82781%0.809SS**  trans-91.7147.1173.1-58.9171.9-2.500109.5
224T31.3Very low32.5Very low126 Ų126143.4 Ų143.477%0.77381%0.814SS**  trans-159129147.5-72.40000109.5
225A33.4Very low32.1Very low91 Ų91142.7 Ų142.775%0.75281%0.811SS**  trans-111.9136.9163.200000108.6
226T29.5Very low32.2Very low130 Ų130145.1 Ų145.180%0.79881%0.811SS**  trans172.8117.4151.622.60000107.7
227Y29.9Very low32.6Very low194 Ų194142.2 Ų142.276%0.76181%0.806SS**  82.2104.492-165.6-85.6000114.1
228T33.9Very low32.2Very low145 Ų145135.9 Ų135.989%0.8979%0.786SS**  trans-157.7158.8138.315.70000108.3
229S29.6Very low32.1Very low88 Ų88143 Ų14362%0.61579%0.791SS**  trans-128.5179.3-155.856.10000113.3
230R29.1Very low31.9Very low224 Ų224138.1 Ų138.185%0.84579%0.786SS**  trans107.980.5140.4-142.5171.9-160.2-138.13.2119.6
231S26.3Very low31.2Very low110 Ų110142 Ų14277%0.76979%0.787SS**  48.8128.5115.9-44.90000123.7
232Y31.6Very low31.1Very low228 Ų228146.4 Ų146.489%0.89479%0.787SS**  trans-162.4114.7135-116.2-91.2000106.4
233A30.8Very low31.1Very low96 Ų96145.6 Ų145.679%0.79378%0.784SS**  57.9133.179.100000114.6
234G29Very low31.7Very low65 Ų65142.3 Ų142.367%0.6778%0.778SS**  cis-163.6155.3-1.500000110.7
235I32.7Very low31.6Very low174 Ų174144.5 Ų144.589%0.89278%0.78SS**  66.6131.1103.8-52.9178.7000117.1
236T34.6Very low31.4Very low123 Ų123147.4 Ų147.476%0.75578%0.776SS**  trans-69.6179.8179.650.60000113.7
237P43Very low31.3Very low127 Ų127147.7 Ų147.783%0.82577%0.768SS**  cis-157.3-178.932.445-22000121.3
238G27.5Very low31.3Very low54 Ų54145.2 Ų145.256%0.55777%0.766SS**  trans122.8116.113300000121.4
239Y28.9Very low31.2Very low225 Ų225144.7 Ų144.788%0.88275%0.754SS**  trans73.4169.5157.6-48-72.4000117.2
240T27.6Very low31.2Very low129 Ų129152 Ų15279%0.79177%0.768SS**  cis-149.4-177.714.4-30.20000113.9
241Y32.2Very low31.3Very low197 Ų197146.3 Ų146.377%0.77376%0.759SS**  trans-66.2169178.1-81.6-98000116.1
242Q26.9Very low32.7Very low165 Ų165146.1 Ų146.177%0.77176%0.755SS**  cis-159.8146.942.1-175.369.26.300113.8
243F30.8Very low32.7Very low189 Ų189142.4 Ų142.483%0.82975%0.749SS**  trans-92.6-176.8174.4-99.3-79.3000111.5
244P46.8Very low32.7Very low108 Ų108145 Ų14570%0.70175%0.749SS**  cis-139.6-173.737.734.7-7.6000114
245E28.7Very low32.8Very low173 Ų173148.7 Ų148.781%0.80876%0.759SS**  cis-153.1176.932.3-83.1-166.578.500111.9
246F29.3Very low32.7Very low152 Ų152145.2 Ų145.267%0.66775%0.75SS**  cis-177.7142.9-35.1-168.7-131.2000110.7
247H27.4Very low33.1Very low136 Ų136145 Ų14563%0.6375%0.751SS**  trans66.1148.5157.3-92.7-141.1000121.8
248L29.8Very low32.7Very low141 Ų141147.5 Ų147.574%0.73875%0.751SS**  cis-153.3149-0.6178.957.1000112
249E32.3Very low34.6Very low134 Ų134150.2 Ų150.263%0.62676%0.759SS**  trans-97.3154.9178.1-131.2-83.7161.800112T251E249-T251 PolarHBondContact OE2-OG1 3.47Å
250R30.1Very low35.8Very low242 Ų242145.3 Ų145.391%0.91375%0.754SS**  trans-161.8130.7155-116.3-179.8-167.2-154.63.3114.7
251T31.8Very low35.8Very low105 Ų105147 Ų14764%0.64475%0.753SS**  trans-119.7-172177.535.60000109.1E249E249-T251 PolarHBondContact OE2-OG1 3.47Å
252P55.7Low36Very low106 Ų106144.3 Ų144.369%0.68875%0.751SS**  cis-142.4-171-27.826.9-0.9000116.4
253L30.9Very low36.4Very low149 Ų149142.4 Ų142.478%0.7875%0.751SS**  trans93.3131.2146.7-57.7-166.5000126
254L30.6Very low36.4Very low151 Ų151137.7 Ų137.779%0.79175%0.748SS**  trans35.3130.4145.1-90.180.5000123.7
255T31.7Very low36.1Very low143 Ų143140 Ų14088%0.87775%0.753SS**  -159.2174.4101.370.50000111.5
256S30.9Very low37.1Very low100 Ų100136.9 Ų136.970%0.69975%0.747SS**  trans-133.6163.9163.877.40000109.7
257P41.4Very low37.3Very low119 Ų119136.5 Ų136.577%0.77375%0.751SS**  -151.714886.237.3-17.2000118.6
258H36.6Very low37.6Very low180 Ų180135.6 Ų135.683%0.83376%0.755SS**  trans23125.6153.6-83.5-70.7000124.9
259P65.3Low37.8Very low111 Ų111133 Ų13372%0.72176%0.755SS**  trans-117.3163.3164.841.9-31.5000114.8
260P54.1Low38Very low121 Ų121138.2 Ų138.279%0.78677%0.77SS**  trans-95.9-177.3158.242.7-39000111.1
261E27.8Very low38.3Very low164 Ų164129.8 Ų129.877%0.76676%0.759SS**  cis-142.3130.5-0.2-162.3174.413900110.5
262L36.8Very low39.8Very low141 Ų141131 Ų13174%0.73877%0.768SS**  trans26.1152.2144.1-48173.3000121.4
263T35.4Very low38.8Very low125 Ų125135.1 Ų135.177%0.76778%0.78SS**  cis-177.1167.2-8.925.90000106
264A31.8Very low38.9Very low91 Ų91131.8 Ų131.875%0.75278%0.775SS**  cis-157.9161.5-8.800000109.3
265I40.1Very low38.9Very low157 Ų157129.4 Ų129.481%0.80578%0.777SS**  trans-97.1172.3163.7-20.6176.4000107.6
266P50.2Low38.9Very low107 Ų107127.3 Ų127.370%0.69577%0.774SS**  -159.5149.875.239.7-16.6000120.7
267L32.7Very low38.9Very low143 Ų143127.5 Ų127.575%0.74978%0.782SS**  71133.1128.5-67.3167.7000125
268T32.9Very low38.6Very low117 Ų117126.6 Ų126.672%0.71878%0.784SS**  trans61.1116.8141.653.10000119.8
269A35.6Very low38.2Very low88 Ų88123.1 Ų123.173%0.72779%0.787SS**  73.711056.700000114.9
270Y36.4Very low36.7Very low243 Ų243123 Ų12395%0.95380%0.795SS**  trans-163.2165.5145.3-122.1-88.8000110.5
271G35Very low35.5Very low65 Ų65121.9 Ų121.967%0.6780%0.796SS**  trans-86.7-165.7-161.200000119.1
272P65.2Low35.6Very low130 Ų130119.9 Ų119.984%0.84479%0.794SS**  trans-101.3144.1-164.737.2-33.3000115.3
273M33.3Very low35.3Very low192 Ų192119.4 Ų119.495%0.94680%0.797SS**  trans-161161.8156.1-156.549.417700114.1
274A32.5Very low35.1Very low80 Ų80124.7 Ų124.766%0.66180%0.803SS**  trans-74.2166-159.500000121.5
275A32Very low34.9Very low100 Ų100123.6 Ų123.683%0.82680%0.801SS**  trans71.9118.3135.800000123.6
276A32.1Very low34.5Very low99 Ų99122 Ų12282%0.81880%0.804SS**  trans175.3123.5138.900000107.9
277A30.2Very low33.8Very low105 Ų105123.2 Ų123.287%0.86881%0.81SS**  85.989.560.600000115.2
278A34.5Very low34.5Very low99 Ų99122.6 Ų122.682%0.81881%0.814SS**  trans-168.7113.215200000107.5
279A28.4Very low34.6Very low108 Ų108122.4 Ų122.489%0.89382%0.817SS**  78.987.657.400000114
280A33.3Very low34.3Very low108 Ų108129.7 Ų129.789%0.89383%0.826SS**  trans-147107.7157.600000110.2
281A29.7Very low34Very low98 Ų98122.3 Ų122.381%0.8181%0.81SS**  trans-97.3173.7167.700000108
282V30.4Very low33.9Very low121 Ų121124.6 Ų124.673%0.73382%0.823SS**  cis-162.9163.6-0.596.20000107.5
283V30.2Very low32.2Very low132 Ų132122.5 Ų122.580%0.882%0.824SS**  trans155.9142.8139.4157.50000109.1
284R30.1Very low32.4Very low235 Ų235122.6 Ų122.689%0.88782%0.82SS**  cis177.6137-45.3-140.6-174.6-177.1-172.82.8105.1
285G27.8Very low32.4Very low69 Ų69126.8 Ų126.871%0.71183%0.83SS**  trans111.3145.1161.200000115.4
286S33.1Very low32.5Very low123 Ų123124.5 Ų124.586%0.8682%0.817SS**  cis-156.7143.2-11.9-70.90000108.5
287T35.5Very low32.6Very low133 Ų133126.5 Ų126.582%0.81682%0.819SS**  trans-85.8167.1164.856.70000110
288P45.5Very low32.8Very low130 Ų130126.8 Ų126.884%0.84482%0.815SS**  -138.3160.489.737.4-25000114.4
289S35.4Very low33.1Very low112 Ų112127.5 Ų127.578%0.78381%0.813SS**  trans-108.2142.7167.953.80000111
290R29.6Very low34Very low241 Ų241128 Ų12891%0.90981%0.808SS**  trans-166.7155.8160.5-97-162.4173.9-151.6-3.6108.3
291S30.4Very low33.9Very low88 Ų88126.2 Ų126.262%0.61580%0.8SS**  cis179.4124.8-35.647.10000107.9
292A33.1Very low35.5Very low114 Ų114127.7 Ų127.794%0.94280%0.801SS**  trans59.2142.5162.100000119.9
293G30.1Very low35.8Very low85 Ų85131 Ų13188%0.87681%0.811SS**  trans167.681.3173.500000112.2
294F35.8Very low36.1Very low195 Ų195128.2 Ų128.286%0.85580%0.802SS**  trans-105.7119-177.4177.3-79.8000110.8
295L33Very low36.3Very low167 Ų167124.1 Ų124.187%0.87480%0.798SS**  trans-162.4138.9152-69-174.7000105.6
296G34.6Very low36.6Very low53 Ų53127.6 Ų127.655%0.54680%0.799SS.*  cis106.686.63.100000112.8
297T34.7Very low36.6Very low140 Ų140132 Ų13286%0.85980%0.798SS**  trans-174.7134.2149.425.80000113.5
298S34.2Very low36.3Very low112 Ų112128.3 Ų128.378%0.78379%0.786SS**  trans64.697.9139.3-47.80000122.8
299S39.4Very low35.6Very low113 Ų113129.1 Ų129.179%0.7979%0.789SS**  trans-65.1173.8135.1-152.80000109.8
300P47.8Very low35.4Very low119 Ų119127.9 Ų127.977%0.77379%0.786SS**  cis-145.4175.811.444.3-25.3000118.3
301G31.8Very low35.5Very low71 Ų71122 Ų12273%0.73278%0.782SS**  102.1165.3128.800000120.1
302P63.2Low35.7Very low129 Ų129126.7 Ų126.784%0.83879%0.794SS**  trans-121.8169.9-158.442-29.2000115
303M36.2Very low35.6Very low191 Ų191129.7 Ų129.794%0.94179%0.789SS**  trans-161.1160.7145.7-127.1-159.6179.600114.3
304A36.2Very low35.9Very low73 Ų73131 Ų13160%0.60378%0.784SS**  trans-124.9157.9173.400000110
305D35Very low35.8Very low149 Ų149126.2 Ų126.280%0.79778%0.781SS**  trans56.9144.8164.9-60.6-51.2000119.8
306L33.9Very low36Very low141 Ų141125.5 Ų125.574%0.73878%0.783SS**  154.3139.7107.9-146.267.1000113.4
307Y33.3Very low36.1Very low216 Ų216127.8 Ų127.885%0.84779%0.79SS**  trans60.1149.2172-67.5-73.7000118.7
308G28.7Very low36.1Very low55 Ų55125.5 Ų125.557%0.56778%0.78SS**  cis133.1133.2-5.100000113.3
309T31.8Very low36.4Very low148 Ų148130.6 Ų130.691%0.90878%0.784SS**  trans68.3153.8171.1770000117.8
310A31.8Very low36.4Very low85 Ų85132.9 Ų132.970%0.70279%0.786SS**  cis-165.7158.9-27.900000112.1
311S31.3Very low35.9Very low119 Ų119133.1 Ų133.183%0.83279%0.791SS**  trans53.2119.2150.1-61.10000124.2
312Q35Very low36.3Very low185 Ų185134.1 Ų134.186%0.86479%0.792SS**  -159.1112.5119.8-99.2179.38.200105.7
313E29.2Very low34.9Very low178 Ų178132.9 Ų132.983%0.83279%0.793SS**  91.8141.257.5-169.2168.7-152.100113.3
314S37.6Very low35.1Very low113 Ų113129.3 Ų129.379%0.7979%0.786SS**  trans79.2105-170-41.40000114.1
315A32.8Very low35.9Very low94 Ų94131.2 Ų131.278%0.77779%0.793SS**  cis7199.32300000116.4
316V38.2Very low36.1Very low151 Ų151128.5 Ų128.592%0.91579%0.791SS**  trans-148.6140.9133.2-177.20000108.3
317S36.6Very low37Very low101 Ų101127.7 Ų127.771%0.70679%0.794SS**  trans-110.2178-173.6-590000114
318S35.3Very low37.3Very low92 Ų92123.3 Ų123.364%0.64380%0.795SS**  trans86.2144158.7-46.10000115.4
319Y38.6Very low38Very low219 Ų219127.3 Ų127.386%0.85981%0.809SS**  cis-141.3171.129.7-80.8-91.5000115.3
320L40.7Very low38.2Very low161 Ų161123.3 Ų123.384%0.84380%0.797SS**  trans-65157.3178.8-61.769.1000113.9
321S37.9Very low38.5Very low124 Ų124129 Ų12987%0.86781%0.806SS**  -168.7160108.1-1550000112.6
322A39.9Very low38.6Very low93 Ų93127.5 Ų127.577%0.76980%0.796SS**  trans-130.4144.9179.400000111.1
323A33Very low38.9Very low103 Ų103127.1 Ų127.185%0.85179%0.793SS**  trans-178.3140.8151.500000112.8
324S39.5Very low39.2Very low115 Ų115122.9 Ų122.980%0.80478%0.783SS**  trans-116.8-174155-45.50000107.1
325P53.7Low39.5Very low114 Ų114125.7 Ų125.774%0.7479%0.789SS**  cis-137.4175.4-11.840.5-23.4000115.8
326A40.4Very low39.7Very low91 Ų91125 Ų12575%0.75279%0.791SS**  trans65.2177.5149.100000119.7
327P52.5Low39.9Very low124 Ų124121.4 Ų121.481%0.80578%0.784SS**  -125.1177.6-54.836.2-22.7000112.9
328S39.3Very low40.8Very low125 Ų125122.2 Ų122.287%0.87479%0.787SS**  trans-141.2148.916561.90000113.6
329T43.2Very low41.4Very low139 Ų139125.4 Ų125.485%0.85380%0.796SS**  trans-123.6161.5-165.744.60000113.3
330G35.4Very low41.7Very low63 Ų63122.8 Ų122.865%0.64980%0.795SS**  trans151.8104.3171.300000110.2
331F38.3Very low41.8Very low206 Ų206119.6 Ų119.690%0.90479%0.792SS**  50.5129.669.4-69.6-78000112.3
332S33.5Very low42.2Very low87 Ų87119.1 Ų119.161%0.60878%0.784SS**  cis-167.3157.226.962.10000114.9
333H41.3Very low42.4Very low177 Ų177119 Ų11982%0.81978%0.783SS**  trans59.9151.1149.9-63.4-50.7000119.2
334S34.7Very low43.3Very low89 Ų89123.7 Ų123.762%0.62278%0.784SS**  cis-175.5171.8-9.747.50000110.1
335L43.8Very low44.1Very low172 Ų172124.1 Ų124.190%0.90178%0.782SS**  trans86.7128.5160.4-55166.9000119.6
336G38.8Very low43.8Very low80 Ų80126.5 Ų126.583%0.82579%0.789SS**  trans101.396.7140.300000118.4
337G40.9Very low44Very low75 Ų75125.8 Ų125.877%0.77379%0.79SS**  trans-83.5-160.6150.700000111.4
338P57.2Low43.6Very low117 Ų117131 Ų13176%0.7680%0.796SS**  cis-134.2160.95.239.4-22000116.6
339L47.1Very low44Very low160 Ų160137 Ų13784%0.83881%0.809SS**  trans34.7128.1135.9-51.8172.2000120.8
340I44.9Very low44Very low164 Ų164137 Ų13784%0.84181%0.807SS**  -143.6130.7114-92.3150.4000107.5
341A43.3Very low44.5Very low94 Ų94140.8 Ų140.878%0.77782%0.816SS**  trans-129.1135.4165.100000107.4
342T46.2Very low44.8Very low113 Ų113137.2 Ų137.269%0.69381%0.811SS**  trans-12895.6176.6-42.90000108.9F344T342-F344 HydrophobicContact CG2-CD2 4.39Å; T342-F344 HydrophobicContact CG2-CE2 4.43Å
343A44.2Very low45.5Very low90 Ų90140.2 Ų140.274%0.74482%0.823SS**  trans-78.4138.2164.200000108.9
344F50.4Low45.7Very low202 Ų202137.9 Ų137.989%0.88682%0.823SS**  trans-107.7126.7160.6-105.6-88.6000108.7T342T342-F344 HydrophobicContact CG2-CD2 4.39Å; T342-F344 HydrophobicContact CG2-CE2 4.43Å
345T57.4Low46.5Very low124 Ų124141.1 Ų141.176%0.76184%0.836SS**  trans-121.9147.4-178.6162.80000109.1
346N46.7Very low46.7Very low164 Ų164138.9 Ų138.988%0.87783%0.832SS**  trans-60.6154.3174.6-69.5-27.4000112
347G44.8Very low47.3Very low76 Ų76143.5 Ų143.578%0.78483%0.832SS**  trans-169.1119.3169.500000111.7
348Y44Very low47.8Very low235 Ų235149.2 Ų149.292%0.92284%0.837SS**  trans-63.8147.3175.2-93.9-114.9000112.5
349H47.3Very low46.9Very low251 Ų251152.1 Ų152.1100%1.16284%0.844SS**  -155.20121.5-147.5-54.9000111.6

Retrieved 349 of 349 residues in 169.1 ms (Link to these results)