A0A060VYP3_ONCMY Loading...

Fibroblast growth factor

AlphaFold DB , UniProt , Accession A0A060VYP3, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene fgf19, Length 211 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
1M59.8Low60.2Low211 Ų211104.5 Ų104.5100%1.03962%0.618SS**  0-36.50-67.1-172.886.800112.8V5M1-V5 WeakPolarHBondContact O-CG2 3.49Å
2T59.2Low59.8Low118 Ų118101.8 Ų101.872%0.72461%0.608SS**Hα-helixtrans-64.9-37.7179.743.10000114.8A4 V5 T6T2-A4 VanDerWaalsContact C-N 3.34Å; T2-A4 PolarHBondContact O-N 3.49Å; T2-V5 PolarHBondContact O-N 3.42Å; T2-T6 PolarHBondContact O-N 3.42Å; T2-T6 PolarHBondContact O-OG1 3.28Å
3L59.1Low59.6Low146 Ų146101 Ų10176%0.76460%0.604SS**Hα-helixtrans-66.9-30.8-179.9-129.196000114T6 A7L3-T6 PolarHBondContact O-OG1 3.41Å; L3-A7 PolarHBondContact O-N 3.07Å
4A62.6Low59.1Low63 Ų63105.2 Ų105.252%0.52161%0.611SS.*Hα-helixtrans-75.7-35.618000000111.3T2 A7 V8T2-A4 VanDerWaalsContact C-N 3.34Å; T2-A4 PolarHBondContact O-N 3.49Å; A4-A7 PolarHBondContact O-N 2.98Å; A4-V8 VanDerWaalsContact O-CG2 3.29Å; A4-V8 WeakPolarHBondContact O-CG2 3.29Å; A4-V8 PolarHBondContact O-N 3.32Å
5V60.5Low58.6Low92 Ų92110.3 Ų110.356%0.55862%0.623SS**Hα-helixtrans-68.6-42178.8178.10000110.8M1 T2 V8 C9M1-V5 WeakPolarHBondContact O-CG2 3.49Å; T2-V5 PolarHBondContact O-N 3.42Å; V5-V8 PolarHBondContact O-N 3.43Å; V5-C9 WeakPolarHBondContact O-CB 3.47Å; V5-C9 PolarHBondContact O-N 3.31Å; V5-C9 PolarHBondContact O-SG 3.02Å; V5-C9 VanDerWaalsContact O-SG 3.32Å
6T60Low58.2Low84 Ų84108.8 Ų108.852%0.51563%0.629SS.*Hα-helixtrans-66.1-38.9177.253.80000112.1T2 L3 C9 M10T2-T6 PolarHBondContact O-N 3.42Å; T2-T6 PolarHBondContact O-OG1 3.28Å; L3-T6 PolarHBondContact O-OG1 3.41Å; T6-C9 PolarHBondContact O-N 2.97Å; T6-M10 VanDerWaalsContact O-CG 3.25Å; T6-M10 WeakPolarHBondContact O-CG 3.25Å; T6-M10 PolarHBondContact O-N 3.43Å
7A63.2Low58.3Low53 Ų53109.1 Ų109.144%0.43863%0.632SS.*Hα-helixtrans-64.2-44.7176.100000112.2L3 A4 M10 V11L3-A7 PolarHBondContact O-N 3.07Å; A4-A7 PolarHBondContact O-N 2.98Å; A7-M10 PolarHBondContact O-N 3.01Å; A7-V11 VanDerWaalsContact O-CG2 3.29Å; A7-V11 WeakPolarHBondContact O-CG2 3.29Å; A7-V11 PolarHBondContact O-N 3.33Å
8V62Low58.4Low96 Ų96106.7 Ų106.758%0.58264%0.635SS**Hα-helixtrans-64.3-40.9177172.80000111.2A4 V5 V11 S12A4-V8 VanDerWaalsContact O-CG2 3.29Å; A4-V8 WeakPolarHBondContact O-CG2 3.29Å; A4-V8 PolarHBondContact O-N 3.32Å; V5-V8 PolarHBondContact O-N 3.43Å; V8-V11 PolarHBondContact O-N 3.02Å; V8-S12 WeakPolarHBondContact O-CB 3.27Å; V8-S12 PolarHBondContact O-N 3.31Å; V8-S12 PolarHBondContact O-OG 3.47Å
9C58.9Low58.6Low72 Ų72107.6 Ų107.649%0.48664%0.641SS.*Hα-helixtrans-62.3-43.9175.2-740000112.1V5 T6 S12 V13V5-C9 WeakPolarHBondContact O-CB 3.47Å; V5-C9 PolarHBondContact O-N 3.31Å; V5-C9 PolarHBondContact O-SG 3.02Å; V5-C9 VanDerWaalsContact O-SG 3.32Å; T6-C9 PolarHBondContact O-N 2.97Å; C9-S12 PolarHBondContact O-N 2.7Å; C9-V13 VanDerWaalsContact O-CG2 3.27Å; C9-V13 WeakPolarHBondContact O-CG2 3.44Å; C9-V13 PolarHBondContact O-N 3.03Å
10M58.5Low59Low120 Ų120108.1 Ų108.159%0.59165%0.645SS**Hα-helixtrans-64.6-44.8178.8-70.4-71.3-114.600111.4T6 A7 S12 V13 F14T6-M10 VanDerWaalsContact O-CG 3.25Å; T6-M10 WeakPolarHBondContact O-CG 3.25Å; T6-M10 PolarHBondContact O-N 3.43Å; A7-M10 PolarHBondContact O-N 3.01Å; M10-S12 VanDerWaalsContact C-N 3.27Å; M10-S12 PolarHBondContact O-N 3.42Å; M10-V13 PolarHBondContact O-N 2.97Å; M10-F14 WeakPolarHBondContact O-CD2 3.22Å; M10-F14 PolarHBondContact O-N 3.18Å
11V58Low59.3Low95 Ų95108.1 Ų108.158%0.57665%0.649SS**Hα-helixtrans-61.3-37177.1175.10000111.7A7 V8 F14 F15A7-V11 VanDerWaalsContact O-CG2 3.29Å; A7-V11 WeakPolarHBondContact O-CG2 3.29Å; A7-V11 PolarHBondContact O-N 3.33Å; V8-V11 PolarHBondContact O-N 3.02Å; V11-F14 PolarHBondContact O-N 3.34Å; V11-F15 PolarHBondContact O-N 3.14Å; V11-F15 VanDerWaalsContact O-N 3.14Å
12S55.6Low59.6Low71 Ų71104.9 Ų104.950%0.49764%0.635SS.*Hα-helixtrans-68.9-36.2177.1-52.60000112.7V8 C9 M10 A16V8-S12 WeakPolarHBondContact O-CB 3.27Å; V8-S12 PolarHBondContact O-N 3.31Å; V8-S12 PolarHBondContact O-OG 3.47Å; C9-S12 PolarHBondContact O-N 2.7Å; M10-S12 VanDerWaalsContact C-N 3.27Å; M10-S12 PolarHBondContact O-N 3.42Å; S12-A16 PolarHBondContact O-N 3.49Å
13V56.8Low60.2Low92 Ų92104.6 Ų104.656%0.55864%0.635SS**Hα-helixtrans-72.4-37.2177.1173.20000111.1C9 M10 F15 A16C9-V13 VanDerWaalsContact O-CG2 3.27Å; C9-V13 WeakPolarHBondContact O-CG2 3.44Å; C9-V13 PolarHBondContact O-N 3.03Å; M10-V13 PolarHBondContact O-N 2.97Å; V13-F15 VanDerWaalsContact C-N 3.35Å; V13-A16 PolarHBondContact O-N 3.36Å
14F53.2Low60.3Low160 Ų160105.3 Ų105.370%0.70264%0.639SS**Hα-helixtrans-69.9-28.6175.6-84-74.8000113.3M10 V11M10-F14 WeakPolarHBondContact O-CD2 3.22Å; M10-F14 PolarHBondContact O-N 3.18Å; V11-F14 PolarHBondContact O-N 3.34Å
15F51.2Low60.3Low182 Ų182107.4 Ų107.480%0.79865%0.647SS**Hα-helixtrans-76-20.4175.1-117.1-93.5000113.8V11 V13 V17V11-F15 PolarHBondContact O-N 3.14Å; V11-F15 VanDerWaalsContact O-N 3.14Å; V13-F15 VanDerWaalsContact C-N 3.35Å; F15-V17 VanDerWaalsContact C-N 3.33Å; F15-V17 PolarHBondContact O-N 3.49Å
16A53.4Low60.2Low86 Ų86109.5 Ų109.571%0.71166%0.655SS**THydrogen-bonded Turntrans-80.9-8.8-178.800000114.3S12 V13S12-A16 PolarHBondContact O-N 3.49Å; V13-A16 PolarHBondContact O-N 3.36Å
17V59.4Low60.1Low113 Ų113110.2 Ų110.269%0.68566%0.664SS**THydrogen-bonded Turntrans-98.30.7-174.1-177.40000112.7F15F15-V17 VanDerWaalsContact C-N 3.33Å; F15-V17 PolarHBondContact O-N 3.49Å
18G60.2Low60Low66 Ų66109.1 Ų109.168%0.6866%0.657SS**  trans-97.613.4-162.700000118.5
19V61.3Low59.7Low124 Ų124109.5 Ų109.575%0.75266%0.662SS**  trans-125.181.6172.2-167.50000109.5C21V19-C21 VanDerWaalsContact C-N 3.27Å; V19-C21 PolarHBondContact O-N 3.03Å
20V66.6Low59.3Low118 Ų118111.3 Ų111.372%0.71566%0.663SS**  trans-70.894.9158.8-179.80000105.9L22V20-L22 HydrophobicContact CG1-CG 4.1Å; V20-L22 PolarHBondContact O-N 2.98Å
21C65.6Low58.9Low108 Ų108109.5 Ų109.573%0.7366%0.655SS**  trans-64.688.9164.7-66.10000107.5V19V19-C21 VanDerWaalsContact C-N 3.27Å; V19-C21 PolarHBondContact O-N 3.03Å
22L66.4Low58.6Low143 Ų143109.1 Ų109.175%0.74966%0.662SS**PPolyproline II helixtrans-65.5122.6161.9-77.2158.6000106V20 L24V20-L22 HydrophobicContact CG1-CG 4.1Å; V20-L22 PolarHBondContact O-N 2.98Å; L22-L24 PolarHBondContact O-N 2.88Å; L22-L24 VanDerWaalsContact O-N 3.16Å
23P71.4Confident58.6Low113 Ų113110.4 Ų110.473%0.73466%0.663SS**PPolyproline II helixtrans-55.5128.3172.424.8-32.1000107.1P25P23-P25 WeakPolarHBondContact O-CD 3.45Å; P23-P25 VanDerWaalsContact O-N 3.12Å
24L61.4Low58.5Low160 Ų160106.8 Ų106.884%0.83865%0.645SS**PPolyproline II helixtrans-53.5123.5171.3-100.3125.2000106.9L22 D26L22-L24 PolarHBondContact O-N 2.88Å; L22-L24 VanDerWaalsContact O-N 3.16Å; L24-D26 VanDerWaalsContact C-N 3.34Å; L24-D26 PolarHBondContact O-N 3.28Å
25P62.4Low58.4Low108 Ų108107.6 Ų107.670%0.70164%0.643SS**  trans-63.6103.4172.924.1-29.8000106.9P23 S27P23-P25 WeakPolarHBondContact O-CD 3.45Å; P23-P25 VanDerWaalsContact O-N 3.12Å; P25-S27 PolarHBondContact O-N 3.16Å
26D59.6Low58.3Low135 Ų135101.3 Ų101.372%0.72263%0.63SS**  trans-73.846175.1-17223.4000110.2L24 G28 L31L24-D26 VanDerWaalsContact C-N 3.34Å; L24-D26 PolarHBondContact O-N 3.28Å; D26-G28 PolarHBondContact O-N 2.86Å; D26-G28 VanDerWaalsContact O-N 3.09Å; D26-L31 WeakPolarHBondContact O-CD1 3.32Å
27S56.1Low58.7Low100 Ų100103.5 Ų103.570%0.69963%0.626SS**  trans-88.860.8-179.3-63.70000109.9P25P25-S27 PolarHBondContact O-N 3.16Å
28G62.2Low59.6Low29 Ų29103 Ų10330%0.29962%0.623SS.*  trans-65.1151.1162.600000110.2D26 H30 L31D26-G28 PolarHBondContact O-N 2.86Å; D26-G28 VanDerWaalsContact O-N 3.09Å; G28-H30 PolarHBondContact O-N 2.85Å; G28-L31 PolarHBondContact O-N 3.35Å
29P54.8Low60.9Low105 Ų105102.3 Ų102.368%0.68261%0.605SS**THydrogen-bonded Turntrans-58.1-13.6178.523-33.5000113.7L31 A32P29-L31 VanDerWaalsContact C-N 3.29Å; P29-L31 PolarHBondContact O-N 2.89Å; P29-A32 PolarHBondContact O-N 3.36Å
30H50.4Low62.4Low109 Ų10999 Ų9951%0.50558%0.579SS.*THydrogen-bonded Turntrans-65.9-26.3174.4-65.9-87000113.6G28 W35G28-H30 PolarHBondContact O-N 2.85Å; H30-W35 HydrophobicContact CB-CE3 4.01Å; H30-W35 AromaticContact CE1-CZ3 3.77Å; H30-W35 AromaticContact ND1-CE3 3.3Å; H30-W35 VanDerWaalsContact ND1-CE3 3.3Å; H30-W35 AromaticContact ND1-CH2 3.99Å; H30-W35 AromaticContact ND1-CZ3 3.11Å; H30-W35 WeakPolarHBondContact ND1-CZ3 3.36Å; H30-W35 WeakPolarHBondContact O-CB 3.38Å; H30-W35 PolarHBondContact O-N 2.8Å
31L50.3Low63.7Low82 Ų8295.6 Ų95.643%0.42956%0.557SS.*THydrogen-bonded Turntrans-75.6-28.5176.2-67.5-172.2000113.2D26 G28 P29 N33 G34 G36D26-L31 WeakPolarHBondContact O-CD1 3.32Å; G28-L31 PolarHBondContact O-N 3.35Å; P29-L31 VanDerWaalsContact C-N 3.29Å; P29-L31 PolarHBondContact O-N 2.89Å; L31-N33 PolarHBondContact O-N 3.01Å; L31-G34 PolarHBondContact O-N 3.5Å; L31-G36 VanDerWaalsContact CD2-CA 3.49Å
32A53Low65.2Low88 Ų8891.6 Ų91.673%0.72753%0.526SS*.THydrogen-bonded Turntrans-60.8-27.6176.900000112.2P29P29-A32 PolarHBondContact O-N 3.36Å
33N54.2Low66.6Low97 Ų9784.8 Ų84.852%0.51949%0.491SS..THydrogen-bonded Turntrans-95.311.2178.3-62.1-8.6000113.1L31 R42L31-N33 PolarHBondContact O-N 3.01Å; N33-R42 PolarHBondContact O-NH2 2.88Å
34G54.4Low67.9Low16 Ų1679.4 Ų79.417%0.16546%0.456CS..THydrogen-bonded Turntrans74.822.3175.400000115.1L31 G36 Q37L31-G34 PolarHBondContact O-N 3.5Å; G34-G36 VanDerWaalsContact C-N 3.26Å; G34-G36 PolarHBondContact O-N 2.91Å; G34-Q37 PolarHBondContact O-N 2.66Å
35W52Low69.6Low177 Ų17774.3 Ų74.367%0.6743%0.426SS*.THydrogen-bonded Turntrans-71.7-17.2175.7-74.36.3000113.9H30H30-W35 HydrophobicContact CB-CE3 4.01Å; H30-W35 AromaticContact CE1-CZ3 3.77Å; H30-W35 AromaticContact ND1-CE3 3.3Å; H30-W35 VanDerWaalsContact ND1-CE3 3.3Å; H30-W35 AromaticContact ND1-CH2 3.99Å; H30-W35 AromaticContact ND1-CZ3 3.11Å; H30-W35 WeakPolarHBondContact ND1-CZ3 3.36Å; H30-W35 WeakPolarHBondContact O-CB 3.38Å; H30-W35 PolarHBondContact O-N 2.8Å
36G49.6Very low71.1Confident50 Ų5069.2 Ų69.252%0.51539%0.392SS..THydrogen-bonded Turntrans-94.8-1169.300000114.3L31 G34L31-G36 VanDerWaalsContact CD2-CA 3.49Å; G34-G36 VanDerWaalsContact C-N 3.26Å; G34-G36 PolarHBondContact O-N 2.91Å
37Q60.5Low72.3Confident133 Ų13364 Ų6462%0.62137%0.369SS*.  trans-87128.7177.3-67.5-68.2-40.300109.3G34 V39G34-Q37 PolarHBondContact O-N 2.66Å; Q37-V39 WeakPolarHBondContact CB-O 3.29Å; Q37-V39 PolarHBondContact O-N 3.14Å; Q37-V39 VanDerWaalsContact O-N 3.15Å
38T78.3Confident73.6Confident103 Ų10365.5 Ų65.563%0.63236%0.362SS*.SBendtrans-56.2-30.3174.5-53.20000111.3P77T38-P77 HydrophobicContact CG2-CG 3.29Å; T38-P77 WeakPolarHBondContact O-CD 3.4Å
39V89.1Confident74.7Confident50 Ų5068.2 Ų68.230%0.30337%0.367SS..SBendtrans-104.6128.6179179.40000110.2Q37 E74 R76Q37-V39 WeakPolarHBondContact CB-O 3.29Å; Q37-V39 PolarHBondContact O-N 3.14Å; Q37-V39 VanDerWaalsContact O-N 3.15Å; V39-E74 HydrophobicContact CG1-CG 3.2Å; V39-E74 WeakPolarHBondContact CG1-OE1 3.31Å; V39-R76 HydrophobicContact CG2-CB 4.34Å; V39-R76 HydrophobicContact CG2-CG 4.1Å
40R92.7Very high76.5Confident55 Ų5564.3 Ų64.321%0.20835%0.346CS..EExtended strand (participates in β ladder)trans-114124.7-176.8-62.7170.6-72.9155.6-6.8111R42 I75 E117R40-R42 HydrophobicContact CB-CG 4.27Å; R40-I75 HydrophobicContact CB-CB 4.38Å; R40-I75 PolarHBondContact N-O 2.81Å; R40-I75 VanDerWaalsContact NH2-CG2 3.26Å; R40-I75 PolarHBondContact O-N 3.36Å; R40-E117 IonicContact CZ-OE1 3.48Å; R40-E117 IonicContact CZ-OE2 2.8Å; R40-E117 IonicContact NH1-OE1 2.74Å; R40-E117 PolarHBondContact NH1-OE1 2.85Å; R40-E117 IonicContact NH1-OE2 3.5Å; R40-E117 PolarHBondContact NH1-OE2 2.85Å; R40-E117 IonicContact NH2-OE1 2.7Å; R40-E117 PolarHBondContact NH2-OE1 3.17Å; R40-E117 IonicContact NH2-OE2 3.63Å; R40-E117 PolarHBondContact NH2-OE2 2.91Å
41L93.6Very high78.7Confident46 Ų4661.4 Ų61.424%0.24133%0.334CS..EExtended strand (participates in β ladder)trans-92.9113.7170.1-67177.6000110.3L72 V73 E74 V88 T170 L175L41-L72 HydrophobicContact CB-CD1 4.37Å; L41-V73 WeakPolarHBondContact CA-O 3.13Å; L41-E74 HydrophobicContact CD2-CB 3.99Å; L41-E74 HydrophobicContact CD2-CG 4.32Å; L41-V88 HydrophobicContact CD2-CG2 3.77Å; L41-T170 HydrophobicContact CD1-CG2 4.2Å; L41-L175 HydrophobicContact CD1-CD2 4.33Å
42R95.9Very high80.9Confident24 Ų2457.7 Ų57.79%0.09131%0.314CS..EExtended strand (participates in β ladder)trans-145163.2-173.4-62.7-65.3179.4-99.54.3111.9N33 R40 V73 I75 P160 R161N33-R42 PolarHBondContact O-NH2 2.88Å; R40-R42 HydrophobicContact CB-CG 4.27Å; R42-V73 PolarHBondContact N-O 2.82Å; R42-V73 VanDerWaalsContact O-CG2 3.24Å; R42-V73 WeakPolarHBondContact O-CG2 3.32Å; R42-V73 PolarHBondContact O-N 2.84Å; R42-I75 HydrophobicContact CB-CD1 4.25Å; R42-I75 HydrophobicContact CG-CD1 4.49Å; R42-P160 HydrophobicContact CB-CB 4.14Å; R42-P160 HydrophobicContact CG-CB 4Å; R42-R161 CarbonylContact C-O 3.55Å; R42-R161 VanDerWaalsContact CA-O 3.29Å; R42-R161 WeakPolarHBondContact CA-O 3.45Å; R42-R161 WeakPolarHBondContact CD-O 3.48Å
43H97.3Very high83Confident0 Ų053.5 Ų53.50%028%0.279CS..EExtended strand (participates in β ladder)trans-102.8120.7162-59.1-94.7000108.6Y45 Q67 S71 R161 S163H43-Y45 PolarHBondContact O-N 2.86Å; H43-Q67 HydrophobicContact CB-CG 4.31Å; H43-Q67 PolarHBondContact CD2-OE1 2.71Å; H43-Q67 VanDerWaalsContact CD2-OE1 3.3Å; H43-Q67 PolarHBondContact NE2-OE1 3.41Å; H43-S71 PolarHBondContact CE1-OG 2.81Å; H43-S71 PolarHBondContact ND1-O 2.98Å; H43-S71 PolarHBondContact ND1-OG 3.11Å; H43-R161 HydrophobicContact CB-CB 4.48Å; H43-R161 PolarHBondContact N-O 3.02Å; H43-R161 PolarHBondContact O-N 3.32Å; H43-S163 WeakPolarHBondContact NE2-CA 3.18Å; H43-S163 VanDerWaalsContact NE2-CB 3.33Å; H43-S163 WeakPolarHBondContact NE2-CB 3.47Å; H43-S163 PolarHBondContact NE2-OG 3.05Å
44L97.7Very high85Confident0 Ų049.6 Ų49.60%026%0.259CS..EExtended strand (participates in β ladder)trans-80.5104.8177.6-67.9177.7000110H52 L53 V73 I75 I85 Y127 F158 P160L44-H52 CarbonylContact O-C 3.59Å; L44-H52 WeakPolarHBondContact O-CA 3.14Å; L44-L53 HydrophobicContact CB-CB 4.08Å; L44-L53 PolarHBondContact O-N 3.21Å; L44-V73 HydrophobicContact CD1-CG2 4.15Å; L44-V73 HydrophobicContact CG-CG2 3.96Å; L44-I75 HydrophobicContact CD2-CD1 3.86Å; L44-I75 HydrophobicContact CG-CD1 4.43Å; L44-I85 HydrophobicContact CD1-CD1 4.01Å; L44-I85 HydrophobicContact CD1-CG2 4.28Å; L44-Y127 HydrophobicContact CD1-CE2 4.11Å; L44-Y127 HydrophobicContact CD2-CE2 3.91Å; L44-F158 HydrophobicContact CB-CB 4.27Å; L44-F158 HydrophobicContact CB-CD1 3.85Å; L44-F158 HydrophobicContact CB-CG 4.25Å; L44-F158 HydrophobicContact CD2-CB 4.29Å; L44-P160 HydrophobicContact CD2-CB 4.36Å; L44-P160 HydrophobicContact CD2-CG 4.25Å
45Y97.1Very high87.1Confident54 Ų5448.9 Ų48.921%0.21225%0.251CS..EExtended strand (participates in β ladder)trans-102114.6-173.6179.7-114.8000112.5H43 A47 G50 L51 H52 F158 L159H43-Y45 PolarHBondContact O-N 2.86Å; Y45-A47 HydrophobicContact CD1-CB 3.88Å; Y45-A47 VanDerWaalsContact CE1-CA 3.43Å; Y45-A47 HydrophobicContact CE1-CB 3.67Å; Y45-A47 PolarHBondContact O-N 2.94Å; Y45-A47 VanDerWaalsContact O-N 3.12Å; Y45-G50 VanDerWaalsContact CE2-C 3.44Å; Y45-G50 WeakPolarHBondContact OH-CA 3.39Å; Y45-L51 CarbonylContact C-O 3.54Å; Y45-H52 AromaticContact CD2-CD2 3.64Å; Y45-H52 AromaticContact CD2-CE1 3.58Å; Y45-H52 AromaticContact CD2-ND1 3.96Å; Y45-H52 AromaticContact CD2-NE2 3.35Å; Y45-H52 WeakPolarHBondContact CD2-NE2 3.38Å; Y45-H52 AromaticContact CE2-CE1 3.86Å; Y45-H52 AromaticContact CG-NE2 3.98Å; Y45-F158 CarbonylContact O-C 3.48Å; Y45-F158 WeakPolarHBondContact O-CA 3.47Å; Y45-L159 WeakPolarHBondContact CB-O 3.37Å; Y45-L159 PolarHBondContact N-O 3.15Å; Y45-L159 PolarHBondContact O-N 3.24Å
46A94.5Very high89.2Confident0 Ų042.7 Ų42.70%023%0.231CC..EExtended strand (participates in β ladder)trans-79.785.3172.300000110.5K48 H49 G50 L51 L138 Q157 F158A46-K48 VanDerWaalsContact C-N 3.33Å; A46-K48 PolarHBondContact O-N 3Å; A46-H49 PolarHBondContact O-N 2.79Å; A46-G50 PolarHBondContact O-N 3.44Å; A46-L51 PolarHBondContact N-O 2.91Å; A46-L51 PolarHBondContact O-N 2.8Å; A46-L138 HydrophobicContact CB-CD1 4.26Å; A46-Q157 WeakPolarHBondContact CA-O 3.35Å; A46-F158 HydrophobicContact CB-CD1 4.16Å; A46-F158 HydrophobicContact CB-CE1 4.06Å
47A84.8Confident91.3Very high27 Ų2744 Ų4422%0.22323%0.226CC..G310 helixtrans-57.4-38.6-16700000114.9Y45 H49 G50 Y124Y45-A47 HydrophobicContact CD1-CB 3.88Å; Y45-A47 VanDerWaalsContact CE1-CA 3.43Å; Y45-A47 HydrophobicContact CE1-CB 3.67Å; Y45-A47 PolarHBondContact O-N 2.94Å; Y45-A47 VanDerWaalsContact O-N 3.12Å; A47-H49 PolarHBondContact O-N 3.19Å; A47-G50 PolarHBondContact O-N 3.17Å; A47-Y124 HydrophobicContact CB-CE1 3.57Å; A47-Y124 WeakPolarHBondContact CB-OH 3.44Å
48K84.1Confident92.9Very high131 Ų13142.9 Ų42.957%0.5722%0.224SC*.G310 helixtrans-60-20.9178.9-73.5177.6176.6158.30113.6A46 A154A46-K48 VanDerWaalsContact C-N 3.33Å; A46-K48 PolarHBondContact O-N 3Å; K48-A154 HydrophobicContact CB-CB 4.07Å; K48-A154 HydrophobicContact CD-CB 3.35Å; K48-A154 HydrophobicContact CG-CB 4.32Å
49H84.9Confident93.4Very high86 Ų8638.9 Ų38.940%0.39820%0.203SC..G310 helixtrans-119.5-6.4-177.5-60.178.5000113.1A46 A47 L51 A154 L155A46-H49 PolarHBondContact O-N 2.79Å; A47-H49 PolarHBondContact O-N 3.19Å; H49-L51 HydrophobicContact CB-CD1 4.27Å; H49-L51 HydrophobicContact CB-CG 4.31Å; H49-A154 VanDerWaalsContact CE1-CB 3.49Å; H49-A154 WeakPolarHBondContact CE1-CB 3.49Å; H49-L155 HydrophobicContact CB-CD2 3.65Å; H49-L155 VanDerWaalsContact CD2-CD2 3.43Å; H49-L155 WeakPolarHBondContact CD2-CD2 3.44Å; H49-L155 WeakPolarHBondContact CE1-CG 3.27Å; H49-L155 VanDerWaalsContact ND1-CD2 3.26Å; H49-L155 WeakPolarHBondContact ND1-CD2 3.37Å; H49-L155 WeakPolarHBondContact NE2-CG 3.29Å
50G92.4Very high93.7Very high22 Ų2242.6 Ų42.623%0.22722%0.215CC..THydrogen-bonded Turntrans68.430.9-18000000114.5Y45 A46 A47 P65Y45-G50 VanDerWaalsContact CE2-C 3.44Å; Y45-G50 WeakPolarHBondContact OH-CA 3.39Å; A46-G50 PolarHBondContact O-N 3.44Å; A47-G50 PolarHBondContact O-N 3.17Å; G50-P65 WeakPolarHBondContact O-CA 2.96Å
51L95.4Very high93.8Very high49 Ų4941 Ų4126%0.25721%0.211SC..EExtended strand (participates in β ladder)trans-119.8135.6-174.7-60.6174.4000112.4Y45 A46 H49 S64 L138Y45-L51 CarbonylContact C-O 3.54Å; A46-L51 PolarHBondContact N-O 2.91Å; A46-L51 PolarHBondContact O-N 2.8Å; H49-L51 HydrophobicContact CB-CD1 4.27Å; H49-L51 HydrophobicContact CB-CG 4.31Å; L51-S64 CarbonylContact C-O 3.54Å; L51-S64 WeakPolarHBondContact CA-O 3.35Å; L51-L138 HydrophobicContact CB-CD1 4.09Å
52H97.2Very high93.9Very high4 Ų441.9 Ų41.92%0.01922%0.215CC..EExtended strand (participates in β ladder)trans-89.4135.6167.1-55.688.2000109.8L44 Y45 L54 G63 S64 P65 R161L44-H52 CarbonylContact O-C 3.59Å; L44-H52 WeakPolarHBondContact O-CA 3.14Å; Y45-H52 AromaticContact CD2-CD2 3.64Å; Y45-H52 AromaticContact CD2-CE1 3.58Å; Y45-H52 AromaticContact CD2-ND1 3.96Å; Y45-H52 AromaticContact CD2-NE2 3.35Å; Y45-H52 WeakPolarHBondContact CD2-NE2 3.38Å; Y45-H52 AromaticContact CE2-CE1 3.86Å; Y45-H52 AromaticContact CG-NE2 3.98Å; H52-L54 PolarHBondContact O-N 2.82Å; H52-G63 CarbonylContact O-C 3.57Å; H52-G63 VanDerWaalsContact O-CA 3.31Å; H52-G63 WeakPolarHBondContact O-CA 3.45Å; H52-S64 PolarHBondContact N-O 3.12Å; H52-S64 PolarHBondContact ND1-O 2.87Å; H52-S64 PolarHBondContact O-N 3.1Å; H52-P65 PolarHBondContact CE1-O 3.12Å; H52-P65 VanDerWaalsContact CE1-O 3.24Å; H52-P65 PolarHBondContact ND1-O 3.36Å; H52-P65 VanDerWaalsContact ND1-O 3.15Å; H52-R161 PolarHBondContact NE2-NH1 3.41Å; H52-R161 VanDerWaalsContact NE2-NH1 3.17Å
53L97.8Very high93.8Very high0 Ų041.9 Ų41.90%022%0.222CC..EExtended strand (participates in β ladder)trans-62.1126.3170.9-175.5146.8000109.4L44 I55 V61 S71 V73 L94 V136 L138 F158L44-L53 HydrophobicContact CB-CB 4.08Å; L44-L53 PolarHBondContact O-N 3.21Å; L53-I55 HydrophobicContact CD2-CD1 3.94Å; L53-I55 HydrophobicContact CD2-CG1 3.66Å; L53-V61 HydrophobicContact CD1-CG1 4.47Å; L53-V61 HydrophobicContact CD2-CG1 4.48Å; L53-V61 HydrophobicContact CG-CG1 4.25Å; L53-S71 VanDerWaalsContact O-CA 3.28Å; L53-S71 WeakPolarHBondContact O-CA 3.11Å; L53-S71 WeakPolarHBondContact O-CB 3.5Å; L53-V73 HydrophobicContact CD2-CG1 4.17Å; L53-L94 HydrophobicContact CD1-CD2 3.84Å; L53-V136 HydrophobicContact CD1-CG1 4.22Å; L53-L138 HydrophobicContact CB-CD2 4.19Å; L53-L138 HydrophobicContact CD1-CD2 4.1Å; L53-L138 HydrophobicContact CG-CD2 4.02Å; L53-F158 HydrophobicContact CB-CE1 4.44Å; L53-F158 HydrophobicContact CD1-CE1 4.48Å; L53-F158 HydrophobicContact CD1-CZ 4.5Å
54L97Very high93.7Very high15 Ų1543 Ų438%0.07923%0.229CC..EExtended strand (participates in β ladder)trans-121.6128.7-179-168.7153.1000109.7H52 N56 V61 H62H52-L54 PolarHBondContact O-N 2.82Å; L54-N56 HydrophobicContact CD2-CB 3.94Å; L54-V61 WeakPolarHBondContact O-CA 3.33Å; L54-H62 VanDerWaalsContact CD2-CE1 3.47Å; L54-H62 WeakPolarHBondContact CD2-CE1 3.04Å; L54-H62 PolarHBondContact N-O 3.09Å; L54-H62 PolarHBondContact O-N 3.23Å; L54-H62 VanDerWaalsContact O-N 3.08Å
55I98Very high93.6Very high0 Ų047.4 Ų47.40%026%0.258CS..EExtended strand (participates in β ladder)trans-111.5110.8175.9-59.6175.2000107.4L53 V61 Y70 V73 A90 Q92 L94 A104L53-I55 HydrophobicContact CD2-CD1 3.94Å; L53-I55 HydrophobicContact CD2-CG1 3.66Å; I55-V61 HydrophobicContact CG1-CG2 4.44Å; I55-Y70 PolarHBondContact N-O 3.22Å; I55-Y70 WeakPolarHBondContact O-CD1 3.22Å; I55-V73 HydrophobicContact CD1-CG1 4.02Å; I55-A90 HydrophobicContact CG2-CB 4.09Å; I55-A90 WeakPolarHBondContact O-CB 3.47Å; I55-Q92 HydrophobicContact CG2-CB 4.2Å; I55-L94 HydrophobicContact CD1-CB 4.04Å; I55-A104 HydrophobicContact CG2-CB 3.51Å
56N95.2Very high93.5Very high47 Ų4751.8 Ų51.825%0.25128%0.281SS..  trans-92.8156.9-176.9-165.2-7.2000111.1L54 N58 G59 K60L54-N56 HydrophobicContact CD2-CB 3.94Å; N56-N58 WeakPolarHBondContact CB-OD1 3.11Å; N56-N58 PolarHBondContact O-N 3.15Å; N56-G59 PolarHBondContact O-N 2.7Å; N56-K60 PolarHBondContact N-O 3.44Å; N56-K60 VanDerWaalsContact N-O 3.08Å
57D94.5Very high93.7Very high77 Ų7753.1 Ų53.141%0.41229%0.287SS..THydrogen-bonded Turntrans-58.6-30.3-179.9-71.4-31.3000113.3G59 Y70 A90 Q92D57-G59 PolarHBondContact O-N 2.8Å; D57-Y70 VanDerWaalsContact CG-CE1 3.47Å; D57-Y70 WeakPolarHBondContact OD1-CE1 3.31Å; D57-Y70 VanDerWaalsContact OD2-CE1 3.26Å; D57-Y70 WeakPolarHBondContact OD2-CE1 3.46Å; D57-Y70 VanDerWaalsContact OD2-CZ 3.31Å; D57-Y70 PolarHBondContact OD2-OH 2.81Å; D57-A90 WeakPolarHBondContact OD1-CA 3.47Å; D57-A90 WeakPolarHBondContact OD1-CB 3.12Å; D57-Q92 PolarHBondContact O-NE2 3.18Å
58N93.5Very high94.2Very high111 Ų11153.4 Ų53.459%0.59429%0.287SS*.THydrogen-bonded Turntrans-75.55.7178.165.211.7000114.3N56 K60N56-N58 WeakPolarHBondContact CB-OD1 3.11Å; N56-N58 PolarHBondContact O-N 3.15Å; N58-K60 VanDerWaalsContact C-N 3.31Å; N58-K60 PolarHBondContact O-N 3.32Å; N58-K60 WeakPolarHBondContact OD1-CB 3.41Å; N58-K60 PolarHBondContact OD1-N 2.93Å
59G89.9Confident94.7Very high18 Ų1848.9 Ų48.919%0.18627%0.272CS..SBendtrans84.9-0.417900000114.6N56 D57 A104N56-G59 PolarHBondContact O-N 2.7Å; D57-G59 PolarHBondContact O-N 2.8Å; G59-A104 PolarHBondContact O-N 2.95Å
60K93.4Very high95.3Very high128 Ų12848.4 Ų48.456%0.55727%0.267SS*.  trans-86133.7-179.3-170.1-179.5177.8-175.30111.4N56 N58N56-K60 PolarHBondContact N-O 3.44Å; N56-K60 VanDerWaalsContact N-O 3.08Å; N58-K60 VanDerWaalsContact C-N 3.31Å; N58-K60 PolarHBondContact O-N 3.32Å; N58-K60 WeakPolarHBondContact OD1-CB 3.41Å; N58-K60 PolarHBondContact OD1-N 2.93Å
61V96.8Very high95.5Very high21 Ų2147.3 Ų47.313%0.12726%0.256CS..EExtended strand (participates in β ladder)trans-107.1129.8173.2-176.30000109.7L53 L54 I55 L94 L102 A104L53-V61 HydrophobicContact CD1-CG1 4.47Å; L53-V61 HydrophobicContact CD2-CG1 4.48Å; L53-V61 HydrophobicContact CG-CG1 4.25Å; L54-V61 WeakPolarHBondContact O-CA 3.33Å; I55-V61 HydrophobicContact CG1-CG2 4.44Å; V61-L94 HydrophobicContact CB-CD1 4.32Å; V61-L94 HydrophobicContact CG1-CD1 3.78Å; V61-L94 HydrophobicContact CG2-CD1 3.73Å; V61-L102 HydrophobicContact CB-CB 3.98Å; V61-L102 HydrophobicContact CG1-CB 4.01Å; V61-L102 HydrophobicContact CG1-CD1 4.12Å; V61-L102 HydrophobicContact CG2-CB 4.34Å; V61-A104 HydrophobicContact CG2-CB 4.16Å
62H94.3Very high95.6Very high66 Ų6645.3 Ų45.331%0.30625%0.246SC..EExtended strand (participates in β ladder)trans-157180177.460.2-75.1000111.5L54L54-H62 VanDerWaalsContact CD2-CE1 3.47Å; L54-H62 WeakPolarHBondContact CD2-CE1 3.04Å; L54-H62 PolarHBondContact N-O 3.09Å; L54-H62 PolarHBondContact O-N 3.23Å; L54-H62 VanDerWaalsContact O-N 3.08Å
63G94.9Very high95.6Very high23 Ų2345.1 Ų45.124%0.23725%0.245CC..EExtended strand (participates in β ladder)trans-97.6143.9176.800000113.1H52H52-G63 CarbonylContact O-C 3.57Å; H52-G63 VanDerWaalsContact O-CA 3.31Å; H52-G63 WeakPolarHBondContact O-CA 3.45Å
64S94.9Very high95.5Very high23 Ų2346.8 Ų46.816%0.16125%0.253CS..EExtended strand (participates in β ladder)trans-126.2137.9172.7171.40000111L51 H52 E66L51-S64 CarbonylContact C-O 3.54Å; L51-S64 WeakPolarHBondContact CA-O 3.35Å; H52-S64 PolarHBondContact N-O 3.12Å; H52-S64 PolarHBondContact ND1-O 2.87Å; H52-S64 PolarHBondContact O-N 3.1Å; S64-E66 VanDerWaalsContact C-N 3.27Å; S64-E66 PolarHBondContact O-N 2.88Å; S64-E66 PolarHBondContact OG-N 3.48Å; S64-E66 PolarHBondContact OG-O 2.94Å
65P95.7Very high95.6Very high93 Ų9346 Ų4660%0.60425%0.249SC*.SBendtrans-64.8-31.6177.926.6-33.7000113G50 H52G50-P65 WeakPolarHBondContact O-CA 2.96Å; H52-P65 PolarHBondContact CE1-O 3.12Å; H52-P65 VanDerWaalsContact CE1-O 3.24Å; H52-P65 PolarHBondContact ND1-O 3.36Å; H52-P65 VanDerWaalsContact ND1-O 3.15Å
66E95.5Very high95.4Very high147 Ų14751.8 Ų51.869%0.68727%0.271SS*.SBendtrans-107.8154.9-175.1-64.8-179.6-176.800112.1S64S64-E66 VanDerWaalsContact C-N 3.27Å; S64-E66 PolarHBondContact O-N 2.88Å; S64-E66 PolarHBondContact OG-N 3.48Å; S64-E66 PolarHBondContact OG-O 2.94Å
67Q96.6Very high95.4Very high27 Ų2752.4 Ų52.413%0.12628%0.277CS..  trans-71.1135168.5-67.6-170.15.900109.7H43 V162 T164 L165H43-Q67 HydrophobicContact CB-CG 4.31Å; H43-Q67 PolarHBondContact CD2-OE1 2.71Å; H43-Q67 VanDerWaalsContact CD2-OE1 3.3Å; H43-Q67 PolarHBondContact NE2-OE1 3.41Å; Q67-V162 PolarHBondContact NE2-O 2.96Å; Q67-V162 VanDerWaalsContact NE2-O 3.14Å; Q67-T164 PolarHBondContact OE1-OG1 3.08Å; Q67-L165 HydrophobicContact CB-CD2 4.32Å; Q67-L165 HydrophobicContact CB-CG 4.44Å
68S95.8Very high95.5Very high33 Ų3351.1 Ų51.123%0.23127%0.272CS..  trans-140167.8171.5700000110.1Y70 S71 L72 L165S68-Y70 PolarHBondContact O-N 2.97Å; S68-Y70 PolarHBondContact OG-N 3.08Å; S68-S71 PolarHBondContact N-OG 3.5Å; S68-S71 PolarHBondContact O-N 3.37Å; S68-S71 PolarHBondContact O-OG 2.04Å; S68-S71 PolarHBondContact OG-N 2.81Å; S68-L72 PolarHBondContact O-N 2.82Å; S68-L165 VanDerWaalsContact C-CD1 3.46Å
69S95.3Very high95.5Very high37 Ų3749.6 Ų49.626%0.25926%0.264SS..G310 helixtrans-54.3-35.317454.90000112.6S71 L72 A89S69-S71 VanDerWaalsContact C-N 3.32Å; S69-S71 PolarHBondContact O-N 2.87Å; S69-L72 PolarHBondContact O-N 3.37Å; S69-A89 WeakPolarHBondContact O-CB 3.43Å
70Y96.6Very high95.7Very high75 Ų7555.1 Ų55.129%0.29429%0.294SS..G310 helixtrans-75.5-15.4176.7-68.4-73.4000115I55 D57 S68 A89 A90I55-Y70 PolarHBondContact N-O 3.22Å; I55-Y70 WeakPolarHBondContact O-CD1 3.22Å; D57-Y70 VanDerWaalsContact CG-CE1 3.47Å; D57-Y70 WeakPolarHBondContact OD1-CE1 3.31Å; D57-Y70 VanDerWaalsContact OD2-CE1 3.26Å; D57-Y70 WeakPolarHBondContact OD2-CE1 3.46Å; D57-Y70 VanDerWaalsContact OD2-CZ 3.31Å; D57-Y70 PolarHBondContact OD2-OH 2.81Å; S68-Y70 PolarHBondContact O-N 2.97Å; S68-Y70 PolarHBondContact OG-N 3.08Å; Y70-A89 HydrophobicContact CD1-CB 3.83Å; Y70-A89 HydrophobicContact CE1-CB 3.98Å; Y70-A89 HydrophobicContact CG-CB 4.29Å; Y70-A90 HydrophobicContact CD1-CB 4.25Å; Y70-A90 HydrophobicContact CE1-CB 4.43Å
71S97.3Very high95.7Very high0 Ų051.2 Ų51.20%029%0.29CS..G310 helixtrans-95.1-6.5173.971.70000113.3H43 L53 S68 S69H43-S71 PolarHBondContact CE1-OG 2.81Å; H43-S71 PolarHBondContact ND1-O 2.98Å; H43-S71 PolarHBondContact ND1-OG 3.11Å; L53-S71 VanDerWaalsContact O-CA 3.28Å; L53-S71 WeakPolarHBondContact O-CA 3.11Å; L53-S71 WeakPolarHBondContact O-CB 3.5Å; S68-S71 PolarHBondContact N-OG 3.5Å; S68-S71 PolarHBondContact O-N 3.37Å; S68-S71 PolarHBondContact O-OG 2.04Å; S68-S71 PolarHBondContact OG-N 2.81Å; S69-S71 VanDerWaalsContact C-N 3.32Å; S69-S71 PolarHBondContact O-N 2.87Å
72L97.1Very high95.7Very high6 Ų651.4 Ų51.43%0.03129%0.292CS..EExtended strand (participates in β ladder)trans-78.6123.1173.2-174.866.4000108.7L41 S68 S69 V88L41-L72 HydrophobicContact CB-CD1 4.37Å; S68-L72 PolarHBondContact O-N 2.82Å; S69-L72 PolarHBondContact O-N 3.37Å; L72-V88 HydrophobicContact CD2-CB 4.36Å; L72-V88 HydrophobicContact CD2-CG2 4.19Å; L72-V88 HydrophobicContact CG-CB 4.42Å; L72-V88 HydrophobicContact CG-CG2 4Å; L72-V88 PolarHBondContact O-N 3.09Å
73V97.8Very high95.8Very high0 Ų048.5 Ų48.50%028%0.279CS..EExtended strand (participates in β ladder)trans-121.3142.1179.3-60.40000111.6L41 R42 L44 L53 I55 I75 I85 K86L41-V73 WeakPolarHBondContact CA-O 3.13Å; R42-V73 PolarHBondContact N-O 2.82Å; R42-V73 VanDerWaalsContact O-CG2 3.24Å; R42-V73 WeakPolarHBondContact O-CG2 3.32Å; R42-V73 PolarHBondContact O-N 2.84Å; L44-V73 HydrophobicContact CD1-CG2 4.15Å; L44-V73 HydrophobicContact CG-CG2 3.96Å; L53-V73 HydrophobicContact CD2-CG1 4.17Å; I55-V73 HydrophobicContact CD1-CG1 4.02Å; V73-I75 HydrophobicContact CG2-CD1 4.49Å; V73-I75 HydrophobicContact CG2-CG1 4.09Å; V73-I85 HydrophobicContact CB-CG2 3.81Å; V73-I85 HydrophobicContact CG1-CG2 4.05Å; V73-I85 HydrophobicContact CG2-CG2 3.96Å; V73-K86 CarbonylContact C-O 3.54Å; V73-K86 WeakPolarHBondContact CA-O 3.4Å
74E96.4Very high96Very high35 Ų3547.6 Ų47.616%0.16427%0.269CS..EExtended strand (participates in β ladder)trans-84.9122.9163.6-172.4-169.1143.300108.8V39 L41 R76 I85 K86 V88V39-E74 HydrophobicContact CG1-CG 3.2Å; V39-E74 WeakPolarHBondContact CG1-OE1 3.31Å; L41-E74 HydrophobicContact CD2-CB 3.99Å; L41-E74 HydrophobicContact CD2-CG 4.32Å; E74-R76 IonicContact OE1-CZ 2.63Å; E74-R76 VanDerWaalsContact OE1-CZ 3.24Å; E74-R76 IonicContact OE1-NE 3.41Å; E74-R76 PolarHBondContact OE1-NE 3.45Å; E74-R76 IonicContact OE1-NH2 3.32Å; E74-R76 PolarHBondContact OE1-NH2 3.01Å; E74-I85 CarbonylContact O-C 3.58Å; E74-I85 WeakPolarHBondContact O-CA 3.13Å; E74-K86 HydrophobicContact CB-CB 4.39Å; E74-K86 PolarHBondContact N-O 3.25Å; E74-K86 PolarHBondContact O-N 2.93Å; E74-V88 HydrophobicContact CB-CG2 4.37Å
75I97.3Very high96.2Very high0 Ų046.5 Ų46.50%026%0.262CS..EExtended strand (participates in β ladder)trans-109.1113174.1-48.1173.1000107.5R40 R42 L44 V73 V83 I85R40-I75 HydrophobicContact CB-CB 4.38Å; R40-I75 PolarHBondContact N-O 2.81Å; R40-I75 VanDerWaalsContact NH2-CG2 3.26Å; R40-I75 PolarHBondContact O-N 3.36Å; R42-I75 HydrophobicContact CB-CD1 4.25Å; R42-I75 HydrophobicContact CG-CD1 4.49Å; L44-I75 HydrophobicContact CD2-CD1 3.86Å; L44-I75 HydrophobicContact CG-CD1 4.43Å; V73-I75 HydrophobicContact CG2-CD1 4.49Å; V73-I75 HydrophobicContact CG2-CG1 4.09Å; I75-V83 HydrophobicContact CG2-CB 3.79Å; I75-V83 HydrophobicContact CG2-CG1 3.96Å; I75-V83 HydrophobicContact CG2-CG2 3.93Å; I75-I85 HydrophobicContact CG1-CG1 4.49Å; I75-I85 HydrophobicContact CG2-CG1 4.35Å
76R95.3Very high96.3Very high121 Ų12144.6 Ų44.646%0.45724%0.244SC..EExtended strand (participates in β ladder)trans-119.9129.4-175.9178.3-177.2-62.1-149.60.1110.1V39 E74 V78 V83 A84V39-R76 HydrophobicContact CG2-CB 4.34Å; V39-R76 HydrophobicContact CG2-CG 4.1Å; E74-R76 IonicContact OE1-CZ 2.63Å; E74-R76 VanDerWaalsContact OE1-CZ 3.24Å; E74-R76 IonicContact OE1-NE 3.41Å; E74-R76 PolarHBondContact OE1-NE 3.45Å; E74-R76 IonicContact OE1-NH2 3.32Å; E74-R76 PolarHBondContact OE1-NH2 3.01Å; R76-V78 PolarHBondContact O-N 2.9Å; R76-V83 CarbonylContact O-C 3.49Å; R76-V83 WeakPolarHBondContact O-CA 3.2Å; R76-A84 PolarHBondContact N-O 3Å; R76-A84 PolarHBondContact O-N 2.9Å
77P95.5Very high96.4Very high59 Ų5937.6 Ų37.638%0.38321%0.211SC..EExtended strand (participates in β ladder)trans-66.8134.6171.428.5-33000110T38 C82T38-P77 HydrophobicContact CG2-CG 3.29Å; T38-P77 WeakPolarHBondContact O-CD 3.4Å; P77-C82 WeakPolarHBondContact CA-O 3.25Å
78V95.3Very high96.4Very high50 Ų5037.1 Ų37.130%0.30321%0.21SC..EExtended strand (participates in β ladder)trans-120.2-18.1179.2-66.70000112.6R76 C82 A84R76-V78 PolarHBondContact O-N 2.9Å; V78-C82 HydrophobicContact CG2-CB 4.14Å; V78-C82 PolarHBondContact N-O 3.49Å; V78-A84 HydrophobicContact CG1-CB 3.56Å
79D94.8Very high96.3Very high80 Ų8036.7 Ų36.743%0.42821%0.208SC..EExtended strand (participates in β ladder)trans-158.1177.8175.3-145.3-37.7000108.9G81 C82 K110D79-G81 PolarHBondContact O-N 2.87Å; D79-C82 HydrophobicContact CB-CB 3.8Å; D79-C82 PolarHBondContact N-O 3.39Å; D79-C82 PolarHBondContact O-N 3.11Å; D79-K110 IonicContact OD2-NZ 2.98Å; D79-K110 PolarHBondContact OD2-NZ 2.85Å
80T93.6Very high96.4Very high133 Ų13335.2 Ų35.282%0.81620%0.198SC*.THydrogen-bonded Turntrans-60.5108.4178.8-55.20000110.8C82T80-C82 PolarHBondContact O-N 3.45Å
81G92.9Very high96.4Very high46 Ų4634.7 Ų34.747%0.47421%0.206SC..THydrogen-bonded Turntrans71.66.1-177.100000114.7D79 K116 E117D79-G81 PolarHBondContact O-N 2.87Å; G81-K116 CarbonylContact O-C 3.59Å; G81-K116 WeakPolarHBondContact O-CA 3.43Å; G81-E117 PolarHBondContact O-N 2.76Å
82C96.4Very high96.4Very high26 Ų2635.3 Ų35.318%0.17621%0.209CC..EExtended strand (participates in β ladder)trans-110.1139.9177.9-63.60000111P77 V78 D79 T80 F115P77-C82 WeakPolarHBondContact CA-O 3.25Å; V78-C82 HydrophobicContact CG2-CB 4.14Å; V78-C82 PolarHBondContact N-O 3.49Å; D79-C82 HydrophobicContact CB-CB 3.8Å; D79-C82 PolarHBondContact N-O 3.39Å; D79-C82 PolarHBondContact O-N 3.11Å; T80-C82 PolarHBondContact O-N 3.45Å; C82-F115 CarbonylContact C-O 3.52Å; C82-F115 VanDerWaalsContact CA-O 3.29Å; C82-F115 WeakPolarHBondContact CA-O 3.26Å
83V97.7Very high96.5Very high4 Ų437.7 Ų37.72%0.02422%0.218CC..EExtended strand (participates in β ladder)trans-125.3148.1179.9-59.20000111.3I75 R76 I85 F115 E117 Y127I75-V83 HydrophobicContact CG2-CB 3.79Å; I75-V83 HydrophobicContact CG2-CG1 3.96Å; I75-V83 HydrophobicContact CG2-CG2 3.93Å; R76-V83 CarbonylContact O-C 3.49Å; R76-V83 WeakPolarHBondContact O-CA 3.2Å; V83-I85 HydrophobicContact CG2-CD1 4.47Å; V83-I85 HydrophobicContact CG2-CG1 4.21Å; V83-F115 PolarHBondContact N-O 3.01Å; V83-F115 PolarHBondContact O-N 3.44Å; V83-E117 HydrophobicContact CG1-CB 4.26Å; V83-E117 HydrophobicContact CG2-CB 4.21Å; V83-Y127 HydrophobicContact CG2-CD1 3.82Å; V83-Y127 HydrophobicContact CG2-CE1 3.79Å
84A98.2Very high96.5Very high5 Ų537.7 Ų37.74%0.04122%0.218CC..EExtended strand (participates in β ladder)trans-96.3140.6158.100000108.7R76 V78 Y93 Y108R76-A84 PolarHBondContact N-O 3Å; R76-A84 PolarHBondContact O-N 2.9Å; V78-A84 HydrophobicContact CG1-CB 3.56Å; A84-Y93 HydrophobicContact CB-CD1 4.39Å; A84-Y108 HydrophobicContact CB-CD2 4.33Å; A84-Y108 HydrophobicContact CB-CE2 3.75Å
85I98.5Very high96.6Very high0 Ų036 Ų360%021%0.21CC..EExtended strand (participates in β ladder)trans-115.9123.4177.5-60.5165000107.2L44 V73 E74 I75 V83 Y93 L94 F115 Y127L44-I85 HydrophobicContact CD1-CD1 4.01Å; L44-I85 HydrophobicContact CD1-CG2 4.28Å; V73-I85 HydrophobicContact CB-CG2 3.81Å; V73-I85 HydrophobicContact CG1-CG2 4.05Å; V73-I85 HydrophobicContact CG2-CG2 3.96Å; E74-I85 CarbonylContact O-C 3.58Å; E74-I85 WeakPolarHBondContact O-CA 3.13Å; I75-I85 HydrophobicContact CG1-CG1 4.49Å; I75-I85 HydrophobicContact CG2-CG1 4.35Å; V83-I85 HydrophobicContact CG2-CD1 4.47Å; V83-I85 HydrophobicContact CG2-CG1 4.21Å; I85-Y93 CarbonylContact O-C 3.54Å; I85-Y93 WeakPolarHBondContact O-CA 3.42Å; I85-L94 HydrophobicContact CB-CB 4.09Å; I85-L94 HydrophobicContact CB-CD2 4.27Å; I85-L94 HydrophobicContact CD1-CD2 4.08Å; I85-L94 HydrophobicContact CG2-CB 4.25Å; I85-L94 HydrophobicContact CG2-CD2 4.24Å; I85-L94 PolarHBondContact O-N 2.74Å; I85-F115 HydrophobicContact CD1-CD2 4.22Å; I85-Y127 HydrophobicContact CD1-CD1 3.96Å; I85-Y127 HydrophobicContact CD1-CD2 4.45Å; I85-Y127 HydrophobicContact CD1-CE1 4.15Å; I85-Y127 HydrophobicContact CD1-CG 4.13Å
86K98.3Very high96.6Very high53 Ų5336 Ų3623%0.2321%0.21CC..EExtended strand (participates in β ladder)trans-124.6128.8-178.5-173.3-173174.7-169.40110.3V73 E74 V88 Q92 Y93V73-K86 CarbonylContact C-O 3.54Å; V73-K86 WeakPolarHBondContact CA-O 3.4Å; E74-K86 HydrophobicContact CB-CB 4.39Å; E74-K86 PolarHBondContact N-O 3.25Å; E74-K86 PolarHBondContact O-N 2.93Å; K86-V88 PolarHBondContact O-N 3.03Å; K86-Q92 CarbonylContact C-O 3.59Å; K86-Q92 WeakPolarHBondContact CA-O 3.18Å; K86-Y93 HydrophobicContact CB-CD1 3.9Å; K86-Y93 HydrophobicContact CB-CE1 4.01Å; K86-Y93 HydrophobicContact CD-CE1 4.01Å; K86-Y93 HydrophobicContact CD-CE2 4.48Å; K86-Y93 HydrophobicContact CG-CD1 4.17Å; K86-Y93 HydrophobicContact CG-CE1 4.16Å
87G97.8Very high96.5Very high0 Ų033.2 Ų33.20%020%0.202CC..EExtended strand (participates in β ladder)trans-68.3125.7170.300000109.8S91 Q92G87-S91 VanDerWaalsContact O-CA 3.29Å; G87-S91 WeakPolarHBondContact O-CA 3.32Å; G87-S91 PolarHBondContact O-N 3.42Å; G87-Q92 PolarHBondContact N-O 2.98Å; G87-Q92 PolarHBondContact O-N 3.01Å
88V95.8Very high96.3Very high16 Ų1633.2 Ų33.210%0.09721%0.213CC..THydrogen-bonded Turntrans-67.3-59-175.1176.70000110.2L41 L72 E74 K86 A90 S91 F173L41-V88 HydrophobicContact CD2-CG2 3.77Å; L72-V88 HydrophobicContact CD2-CB 4.36Å; L72-V88 HydrophobicContact CD2-CG2 4.19Å; L72-V88 HydrophobicContact CG-CB 4.42Å; L72-V88 HydrophobicContact CG-CG2 4Å; L72-V88 PolarHBondContact O-N 3.09Å; E74-V88 HydrophobicContact CB-CG2 4.37Å; K86-V88 PolarHBondContact O-N 3.03Å; V88-A90 PolarHBondContact O-N 3.38Å; V88-S91 PolarHBondContact O-N 3.46Å; V88-S91 PolarHBondContact O-OG 2.89Å; V88-F173 HydrophobicContact CG1-CB 3.87Å; V88-F173 HydrophobicContact CG1-CD1 3.81Å; V88-F173 HydrophobicContact CG1-CD2 3.54Å; V88-F173 HydrophobicContact CG1-CE1 4.26Å; V88-F173 HydrophobicContact CG1-CE2 4.06Å; V88-F173 HydrophobicContact CG1-CG 3.45Å; V88-F173 VanDerWaalsContact CG1-CG 3.45Å; V88-F173 HydrophobicContact CG1-CZ 4.4Å
89A94.9Very high96Very high24 Ų2435.5 Ų35.520%0.19822%0.223CC..THydrogen-bonded Turntrans-59.7-46.1-179.400000112.2S69 Y70 S91 F173S69-A89 WeakPolarHBondContact O-CB 3.43Å; Y70-A89 HydrophobicContact CD1-CB 3.83Å; Y70-A89 HydrophobicContact CE1-CB 3.98Å; Y70-A89 HydrophobicContact CG-CB 4.29Å; A89-S91 VanDerWaalsContact C-N 3.28Å; A89-S91 PolarHBondContact O-N 3.11Å; A89-F173 HydrophobicContact CB-CZ 4.42Å
90A96.4Very high95.8Very high6 Ų631.7 Ų31.75%0.0520%0.203CC..THydrogen-bonded Turntrans-76.7-13-178.200000114.7I55 D57 Y70 V88 Q92I55-A90 HydrophobicContact CG2-CB 4.09Å; I55-A90 WeakPolarHBondContact O-CB 3.47Å; D57-A90 WeakPolarHBondContact OD1-CA 3.47Å; D57-A90 WeakPolarHBondContact OD1-CB 3.12Å; Y70-A90 HydrophobicContact CD1-CB 4.25Å; Y70-A90 HydrophobicContact CE1-CB 4.43Å; V88-A90 PolarHBondContact O-N 3.38Å; A90-Q92 HydrophobicContact CB-CB 4.42Å; A90-Q92 WeakPolarHBondContact O-CG 3.01Å; A90-Q92 PolarHBondContact O-N 3.37Å; A90-Q92 VanDerWaalsContact O-N 3.14Å; A90-Q92 PolarHBondContact O-NE2 3.08Å
91S96.8Very high95.7Very high65 Ų6531.1 Ų31.146%0.45519%0.186SC..THydrogen-bonded Turntrans48.836.8-173.7-75.50000114G87 V88 A89G87-S91 VanDerWaalsContact O-CA 3.29Å; G87-S91 WeakPolarHBondContact O-CA 3.32Å; G87-S91 PolarHBondContact O-N 3.42Å; V88-S91 PolarHBondContact O-N 3.46Å; V88-S91 PolarHBondContact O-OG 2.89Å; A89-S91 VanDerWaalsContact C-N 3.28Å; A89-S91 PolarHBondContact O-N 3.11Å
92Q98.2Very high95.9Very high13 Ų1329.7 Ų29.76%0.06117%0.167CC..EExtended strand (participates in β ladder)trans-125.2139.6-176.2-76.7173.271.400111.3I55 D57 K86 G87 A90 A104 S105 K106I55-Q92 HydrophobicContact CG2-CB 4.2Å; D57-Q92 PolarHBondContact O-NE2 3.18Å; K86-Q92 CarbonylContact C-O 3.59Å; K86-Q92 WeakPolarHBondContact CA-O 3.18Å; G87-Q92 PolarHBondContact N-O 2.98Å; G87-Q92 PolarHBondContact O-N 3.01Å; A90-Q92 HydrophobicContact CB-CB 4.42Å; A90-Q92 WeakPolarHBondContact O-CG 3.01Å; A90-Q92 PolarHBondContact O-N 3.37Å; A90-Q92 VanDerWaalsContact O-N 3.14Å; A90-Q92 PolarHBondContact O-NE2 3.08Å; Q92-A104 HydrophobicContact CB-CB 3.84Å; Q92-S105 CarbonylContact C-O 3.54Å; Q92-S105 WeakPolarHBondContact CA-O 3.41Å; Q92-K106 HydrophobicContact CG-CG 3.71Å
93Y98.4Very high95.9Very high56 Ų5631 Ų3122%0.2217%0.169CC..EExtended strand (participates in β ladder)trans-76.4137.9174.2-64-82.6000110.6A84 I85 K86 C95 A104 S105 Y108A84-Y93 HydrophobicContact CB-CD1 4.39Å; I85-Y93 CarbonylContact O-C 3.54Å; I85-Y93 WeakPolarHBondContact O-CA 3.42Å; K86-Y93 HydrophobicContact CB-CD1 3.9Å; K86-Y93 HydrophobicContact CB-CE1 4.01Å; K86-Y93 HydrophobicContact CD-CE1 4.01Å; K86-Y93 HydrophobicContact CD-CE2 4.48Å; K86-Y93 HydrophobicContact CG-CD1 4.17Å; K86-Y93 HydrophobicContact CG-CE1 4.16Å; Y93-C95 PolarHBondContact O-N 3.38Å; Y93-A104 CarbonylContact O-C 3.57Å; Y93-A104 WeakPolarHBondContact O-CA 3.39Å; Y93-S105 PolarHBondContact N-O 3.43Å; Y93-S105 PolarHBondContact O-N 2.8Å; Y93-Y108 AromaticContact CD1-CD2 3.92Å; Y93-Y108 HydrophobicContact CD1-CD2 3.92Å; Y93-Y108 HydrophobicContact CE1-CD2 4.12Å; Y93-Y108 HydrophobicContact CG-CD2 4.2Å
94L98.6Very high95.9Very high0 Ų031.3 Ų31.30%017%0.172CC..EExtended strand (participates in β ladder)trans-69.1124.9164.4-179.363.2000108.5L53 I55 V61 I85 L102 C113 F115 V136L53-L94 HydrophobicContact CD1-CD2 3.84Å; I55-L94 HydrophobicContact CD1-CB 4.04Å; V61-L94 HydrophobicContact CB-CD1 4.32Å; V61-L94 HydrophobicContact CG1-CD1 3.78Å; V61-L94 HydrophobicContact CG2-CD1 3.73Å; I85-L94 HydrophobicContact CB-CB 4.09Å; I85-L94 HydrophobicContact CB-CD2 4.27Å; I85-L94 HydrophobicContact CD1-CD2 4.08Å; I85-L94 HydrophobicContact CG2-CB 4.25Å; I85-L94 HydrophobicContact CG2-CD2 4.24Å; I85-L94 PolarHBondContact O-N 2.74Å; L94-L102 HydrophobicContact CD1-CB 4.06Å; L94-L102 HydrophobicContact CD1-CD1 4.26Å; L94-L102 HydrophobicContact CD1-CD2 4.22Å; L94-L102 HydrophobicContact CD1-CG 4.4Å; L94-C113 WeakPolarHBondContact O-CA 3.45Å; L94-F115 HydrophobicContact CB-CE2 4.41Å; L94-F115 HydrophobicContact CD2-CE2 4.32Å; L94-F115 HydrophobicContact CG-CE2 4.16Å; L94-F115 HydrophobicContact CG-CZ 4.3Å; L94-F115 VanDerWaalsContact O-CE2 3.31Å; L94-F115 WeakPolarHBondContact O-CE2 3.43Å; L94-V136 HydrophobicContact CD2-CG1 4.07Å
95C97.8Very high95.8Very high0 Ų032.2 Ų32.20%018%0.178CC..EExtended strand (participates in β ladder)trans-133.6166.7178.6-50.80000110.2Y93 L102 Y103 D112 C113Y93-C95 PolarHBondContact O-N 3.38Å; C95-L102 WeakPolarHBondContact O-CA 3.39Å; C95-Y103 HydrophobicContact CB-CD1 4.1Å; C95-Y103 HydrophobicContact CB-CD2 4.15Å; C95-Y103 HydrophobicContact CB-CE1 3.6Å; C95-Y103 HydrophobicContact CB-CE2 3.65Å; C95-Y103 HydrophobicContact CB-CG 4.37Å; C95-Y103 PolarHBondContact N-O 2.85Å; C95-Y103 PolarHBondContact O-N 2.9Å; C95-Y103 VanDerWaalsContact O-O 3.1Å; C95-D112 CarbonylContact C-O 3.44Å; C95-D112 WeakPolarHBondContact CA-O 3.35Å; C95-D112 HydrophobicContact CB-CB 4.36Å; C95-C113 HydrophobicContact CB-CB 4.05Å; C95-C113 WeakPolarHBondContact CB-SG 3.35Å; C95-C113 WeakPolarHBondContact SG-CB 3.42Å; C95-C113 CovalentContact SG-SG 2.04Å; C95-C113 PolarHBondContact SG-SG 3.13Å
96M96.6Very high95.8Very high0 Ų039.9 Ų39.90%021%0.211CC..EExtended strand (participates in β ladder)trans-133.3133.2-174.2-176-179.4-72.600111.3R101 L102 D112 F115 S129 H132 T134 V136M96-R101 WeakPolarHBondContact CA-O 3.36Å; M96-L102 HydrophobicContact CB-CD2 4.25Å; M96-L102 HydrophobicContact CE-CD2 3.66Å; M96-L102 HydrophobicContact CG-CD2 4.39Å; M96-D112 PolarHBondContact N-O 3.48Å; M96-F115 HydrophobicContact CB-CE1 3.96Å; M96-F115 HydrophobicContact CB-CZ 4.31Å; M96-F115 HydrophobicContact CE-CE1 4Å; M96-S129 VanDerWaalsContact SD-CB 3.54Å; M96-H132 PolarHBondContact O-CD2 3.21Å; M96-H132 PolarHBondContact O-NE2 2.88Å; M96-H132 HydrophobicContact SD-CB 4.23Å; M96-T134 PolarHBondContact SD-OG1 3.12Å; M96-V136 HydrophobicContact CE-CB 4.46Å; M96-V136 HydrophobicContact CE-CG2 3.94Å
97E94.4Very high95.7Very high61 Ų6141.6 Ų41.629%0.28523%0.226SC..  trans-83163.5171.4-67-179.5167.100111.3N99 G100 R101 Y103E97-N99 WeakPolarHBondContact CB-OD1 3.22Å; E97-N99 PolarHBondContact O-N 2.81Å; E97-N99 PolarHBondContact OE2-ND2 2.79Å; E97-G100 WeakPolarHBondContact O-CA 3.44Å; E97-G100 PolarHBondContact O-N 2.84Å; E97-R101 HydrophobicContact CB-CB 4.5Å; E97-R101 PolarHBondContact N-O 2.95Å; E97-R101 IonicContact OE1-CZ 3.75Å; E97-R101 IonicContact OE1-NE 2.79Å; E97-R101 IonicContact OE1-NH2 3.46Å; E97-R101 PolarHBondContact OE1-NH2 2.8Å; E97-R101 IonicContact OE2-CZ 3.29Å; E97-R101 VanDerWaalsContact OE2-CZ 3.29Å; E97-R101 IonicContact OE2-NE 2.97Å; E97-R101 PolarHBondContact OE2-NE 2.79Å; E97-R101 IonicContact OE2-NH2 3.01Å; E97-R101 PolarHBondContact OE2-NH2 3.49Å; E97-Y103 HydrophobicContact CG-CD1 3.69Å; E97-Y103 HydrophobicContact CG-CE1 3.73Å
98G91.2Very high95.7Very high59 Ų5945.2 Ų45.261%0.60824%0.241SC*.THydrogen-bonded Turntrans-59.8-16.417900000116.2G100 H132G98-G100 VanDerWaalsContact C-N 3.31Å; G98-H132 VanDerWaalsContact CA-ND1 3.33Å; G98-H132 WeakPolarHBondContact CA-ND1 3.39Å
99N88.9Confident95.7Very high99 Ų9949.1 Ų49.153%0.52926%0.259SS..THydrogen-bonded Turntrans-89.67172.864.214.7000113.2E97 R101E97-N99 WeakPolarHBondContact CB-OD1 3.22Å; E97-N99 PolarHBondContact O-N 2.81Å; E97-N99 PolarHBondContact OE2-ND2 2.79Å; N99-R101 VanDerWaalsContact C-N 3.29Å; N99-R101 PolarHBondContact O-N 2.93Å; N99-R101 WeakPolarHBondContact OD1-CB 3.41Å; N99-R101 PolarHBondContact OD1-N 3.16Å
100G90Very high95.8Very high0 Ų053.4 Ų53.40%027%0.273CS..SBendtrans77.45-176.500000114.6E97 G98 R144E97-G100 WeakPolarHBondContact O-CA 3.44Å; E97-G100 PolarHBondContact O-N 2.84Å; G98-G100 VanDerWaalsContact C-N 3.31Å; G100-R144 VanDerWaalsContact O-CZ 3.31Å; G100-R144 PolarHBondContact O-NH1 2.96Å
101R92.7Very high95.7Very high121 Ų12157.9 Ų57.946%0.45730%0.296SS..  trans-72.5129.6177.3-174173.471.5114-9.2110M96 E97 N99M96-R101 WeakPolarHBondContact CA-O 3.36Å; E97-R101 HydrophobicContact CB-CB 4.5Å; E97-R101 PolarHBondContact N-O 2.95Å; E97-R101 IonicContact OE1-CZ 3.75Å; E97-R101 IonicContact OE1-NE 2.79Å; E97-R101 IonicContact OE1-NH2 3.46Å; E97-R101 PolarHBondContact OE1-NH2 2.8Å; E97-R101 IonicContact OE2-CZ 3.29Å; E97-R101 VanDerWaalsContact OE2-CZ 3.29Å; E97-R101 IonicContact OE2-NE 2.97Å; E97-R101 PolarHBondContact OE2-NE 2.79Å; E97-R101 IonicContact OE2-NH2 3.01Å; E97-R101 PolarHBondContact OE2-NH2 3.49Å; N99-R101 VanDerWaalsContact C-N 3.29Å; N99-R101 PolarHBondContact O-N 2.93Å; N99-R101 WeakPolarHBondContact OD1-CB 3.41Å; N99-R101 PolarHBondContact OD1-N 3.16Å
102L95.9Very high95.7Very high16 Ų1656 Ų568%0.08428%0.281CS..EExtended strand (participates in β ladder)trans-80.5139.9174.6-57.7176.5000110.2V61 L94 C95 M96 V136 S137V61-L102 HydrophobicContact CB-CB 3.98Å; V61-L102 HydrophobicContact CG1-CB 4.01Å; V61-L102 HydrophobicContact CG1-CD1 4.12Å; V61-L102 HydrophobicContact CG2-CB 4.34Å; L94-L102 HydrophobicContact CD1-CB 4.06Å; L94-L102 HydrophobicContact CD1-CD1 4.26Å; L94-L102 HydrophobicContact CD1-CD2 4.22Å; L94-L102 HydrophobicContact CD1-CG 4.4Å; C95-L102 WeakPolarHBondContact O-CA 3.39Å; M96-L102 HydrophobicContact CB-CD2 4.25Å; M96-L102 HydrophobicContact CE-CD2 3.66Å; M96-L102 HydrophobicContact CG-CD2 4.39Å; L102-V136 HydrophobicContact CD1-CG1 3.72Å; L102-V136 HydrophobicContact CD2-CG1 4.19Å; L102-V136 HydrophobicContact CD2-CG2 4.33Å; L102-S137 WeakPolarHBondContact CD1-O 3.44Å
103Y96.3Very high95.7Very high52 Ų5255.3 Ų55.320%0.20428%0.278CS..EExtended strand (participates in β ladder)trans-141.1167.3170.868.3-80.2000109C95 E97C95-Y103 HydrophobicContact CB-CD1 4.1Å; C95-Y103 HydrophobicContact CB-CD2 4.15Å; C95-Y103 HydrophobicContact CB-CE1 3.6Å; C95-Y103 HydrophobicContact CB-CE2 3.65Å; C95-Y103 HydrophobicContact CB-CG 4.37Å; C95-Y103 PolarHBondContact N-O 2.85Å; C95-Y103 PolarHBondContact O-N 2.9Å; C95-Y103 VanDerWaalsContact O-O 3.1Å; E97-Y103 HydrophobicContact CG-CD1 3.69Å; E97-Y103 HydrophobicContact CG-CE1 3.73Å
104A97.8Very high95.7Very high11 Ų1153.3 Ų53.39%0.09127%0.272CS..EExtended strand (participates in β ladder)trans-112.3143.1173.800000111.3I55 G59 V61 Q92 Y93I55-A104 HydrophobicContact CG2-CB 3.51Å; G59-A104 PolarHBondContact O-N 2.95Å; V61-A104 HydrophobicContact CG2-CB 4.16Å; Q92-A104 HydrophobicContact CB-CB 3.84Å; Y93-A104 CarbonylContact O-C 3.57Å; Y93-A104 WeakPolarHBondContact O-CA 3.39Å
105S97.6Very high95.7Very high24 Ų2453.3 Ų53.317%0.16827%0.272CS..EExtended strand (participates in β ladder)trans-136138.1-178.6177.10000111.1Q92 Y93 T107Q92-S105 CarbonylContact C-O 3.54Å; Q92-S105 WeakPolarHBondContact CA-O 3.41Å; Y93-S105 PolarHBondContact N-O 3.43Å; Y93-S105 PolarHBondContact O-N 2.8Å; S105-T107 VanDerWaalsContact C-N 3.28Å; S105-T107 PolarHBondContact OG-N 3.12Å; S105-T107 VanDerWaalsContact OG-N 3.16Å; S105-T107 PolarHBondContact OG-O 2.63Å
106K96.9Very high95.7Very high162 Ų16258.2 Ų58.270%0.70429%0.293SS*.SBendtrans-69.4-30.2171.8-67.1-175.5178.4-177.20112Q92Q92-K106 HydrophobicContact CG-CG 3.71Å
107T96.9Very high95.7Very high89 Ų8960.2 Ų60.255%0.54630%0.303SS..SBendtrans-95.5125.1179.4-54.60000109.7S105S105-T107 VanDerWaalsContact C-N 3.28Å; S105-T107 PolarHBondContact OG-N 3.12Å; S105-T107 VanDerWaalsContact OG-N 3.16Å; S105-T107 PolarHBondContact OG-O 2.63Å
108Y97.4Very high95.7Very high76 Ų7660.3 Ų60.330%0.29831%0.305SS..  trans-73.6126.5173.3174.8-104.3000110.7A84 Y93 K110 C113 S114A84-Y108 HydrophobicContact CB-CD2 4.33Å; A84-Y108 HydrophobicContact CB-CE2 3.75Å; Y93-Y108 AromaticContact CD1-CD2 3.92Å; Y93-Y108 HydrophobicContact CD1-CD2 3.92Å; Y93-Y108 HydrophobicContact CE1-CD2 4.12Å; Y93-Y108 HydrophobicContact CG-CD2 4.2Å; Y108-K110 HydrophobicContact CE1-CB 4.21Å; Y108-C113 HydrophobicContact CD2-CB 3.83Å; Y108-C113 HydrophobicContact CE2-CB 3.98Å; Y108-S114 PolarHBondContact OH-OG 3.26Å
109M96.7Very high95.9Very high97 Ų9763.5 Ų63.548%0.47831%0.307SS..  trans-123.1113.4172.2-64.8-177.3177.800108D111 D112 C113M109-D111 PolarHBondContact O-N 2.79Å; M109-D111 VanDerWaalsContact O-N 3.14Å; M109-D112 PolarHBondContact O-N 3.34Å; M109-D112 VanDerWaalsContact O-N 3.08Å; M109-C113 WeakPolarHBondContact O-CB 3.45Å; M109-C113 PolarHBondContact O-N 3.47Å; M109-C113 PolarHBondContact O-SG 3.26Å; M109-C113 VanDerWaalsContact O-SG 3.37Å
110K95.8Very high96.2Very high114 Ų11460.1 Ų60.150%0.49629%0.289SS..Hα-helixtrans-49.8-46.1-172.9-173.8178.1-178175.30111.7D79 Y108 D112 S114D79-K110 IonicContact OD2-NZ 2.98Å; D79-K110 PolarHBondContact OD2-NZ 2.85Å; Y108-K110 HydrophobicContact CE1-CB 4.21Å; K110-D112 VanDerWaalsContact C-N 3.34Å; K110-D112 PolarHBondContact O-N 3.36Å; K110-S114 WeakPolarHBondContact CG-OG 3.37Å; K110-S114 WeakPolarHBondContact O-CB 3.49Å; K110-S114 PolarHBondContact O-N 3.46Å; K110-S114 PolarHBondContact O-OG 2.93Å
111D95.4Very high96.3Very high100 Ų10067 Ų6754%0.53533%0.333SS..Hα-helixtrans-57.3-38.8-178.5-81.516.8000115.2M109 K131M109-D111 PolarHBondContact O-N 2.79Å; M109-D111 VanDerWaalsContact O-N 3.14Å; D111-K131 HydrophobicContact CB-CD 3.6Å; D111-K131 WeakPolarHBondContact O-CB 3.28Å; D111-K131 WeakPolarHBondContact O-CD 3.37Å; D111-K131 IonicContact OD2-NZ 2.88Å
112D97.1Very high96.2Very high25 Ų2565 Ų6513%0.13433%0.332CS..Hα-helixtrans-107.5-20.8-171.8-62.1-29.9000112.4C95 M96 M109 K110 K131 H132C95-D112 CarbonylContact C-O 3.44Å; C95-D112 WeakPolarHBondContact CA-O 3.35Å; C95-D112 HydrophobicContact CB-CB 4.36Å; M96-D112 PolarHBondContact N-O 3.48Å; M109-D112 PolarHBondContact O-N 3.34Å; M109-D112 VanDerWaalsContact O-N 3.08Å; K110-D112 VanDerWaalsContact C-N 3.34Å; K110-D112 PolarHBondContact O-N 3.36Å; D112-K131 IonicContact OD1-NZ 3.74Å; D112-K131 PolarHBondContact OD1-NZ 3.01Å; D112-K131 IonicContact OD2-NZ 3.71Å; D112-H132 IonicContact OD1-CE1 3.24Å; D112-H132 PolarHBondContact OD1-CE1 3.01Å; D112-H132 IonicContact OD1-NE2 2.9Å; D112-H132 PolarHBondContact OD1-NE2 3Å
113C97.9Very high96Very high0 Ų066.2 Ų66.20%035%0.348CS..Hα-helixtrans-115.96.4-171.3-42.90000113.8L94 C95 Y108 M109L94-C113 WeakPolarHBondContact O-CA 3.45Å; C95-C113 HydrophobicContact CB-CB 4.05Å; C95-C113 WeakPolarHBondContact CB-SG 3.35Å; C95-C113 WeakPolarHBondContact SG-CB 3.42Å; C95-C113 CovalentContact SG-SG 2.04Å; C95-C113 PolarHBondContact SG-SG 3.13Å; Y108-C113 HydrophobicContact CD2-CB 3.83Å; Y108-C113 HydrophobicContact CE2-CB 3.98Å; M109-C113 WeakPolarHBondContact O-CB 3.45Å; M109-C113 PolarHBondContact O-N 3.47Å; M109-C113 PolarHBondContact O-SG 3.26Å; M109-C113 VanDerWaalsContact O-SG 3.37Å
114S97.6Very high96Very high13 Ų1366.7 Ų66.79%0.09135%0.35CS..EExtended strand (participates in β ladder)trans-104.4136.9171.7-47.60000110.8Y108 K110Y108-S114 PolarHBondContact OH-OG 3.26Å; K110-S114 WeakPolarHBondContact CG-OG 3.37Å; K110-S114 WeakPolarHBondContact O-CB 3.49Å; K110-S114 PolarHBondContact O-N 3.46Å; K110-S114 PolarHBondContact O-OG 2.93Å
115F98.2Very high95.9Very high1 Ų166.8 Ų66.80%0.00435%0.349CS..EExtended strand (participates in β ladder)trans-131.8134.7179-50.4-79.1000110.9C82 V83 I85 L94 M96 E117 Y127 V128 V136C82-F115 CarbonylContact C-O 3.52Å; C82-F115 VanDerWaalsContact CA-O 3.29Å; C82-F115 WeakPolarHBondContact CA-O 3.26Å; V83-F115 PolarHBondContact N-O 3.01Å; V83-F115 PolarHBondContact O-N 3.44Å; I85-F115 HydrophobicContact CD1-CD2 4.22Å; L94-F115 HydrophobicContact CB-CE2 4.41Å; L94-F115 HydrophobicContact CD2-CE2 4.32Å; L94-F115 HydrophobicContact CG-CE2 4.16Å; L94-F115 HydrophobicContact CG-CZ 4.3Å; L94-F115 VanDerWaalsContact O-CE2 3.31Å; L94-F115 WeakPolarHBondContact O-CE2 3.43Å; M96-F115 HydrophobicContact CB-CE1 3.96Å; M96-F115 HydrophobicContact CB-CZ 4.31Å; M96-F115 HydrophobicContact CE-CE1 4Å; F115-E117 PolarHBondContact O-N 3.14Å; F115-Y127 HydrophobicContact CB-CD1 4.45Å; F115-V128 CarbonylContact C-O 3.49Å; F115-V128 VanDerWaalsContact CA-O 3.27Å; F115-V128 WeakPolarHBondContact CA-O 3.39Å; F115-V136 HydrophobicContact CD1-CG2 3.6Å; F115-V136 HydrophobicContact CD2-CG2 4.44Å; F115-V136 HydrophobicContact CE1-CG2 3.71Å; F115-V136 HydrophobicContact CG-CG2 3.99Å; F115-V136 HydrophobicContact CZ-CG2 4.19Å
116K97.6Very high95.8Very high103 Ų10366.4 Ų66.445%0.44834%0.344SS..EExtended strand (participates in β ladder)trans-69.7120.2168.9-164.1178.6-177.1168.50109G81 N118 Y127 V128G81-K116 CarbonylContact O-C 3.59Å; G81-K116 WeakPolarHBondContact O-CA 3.43Å; K116-N118 WeakPolarHBondContact CG-OD1 3.29Å; K116-Y127 WeakPolarHBondContact O-CA 3.46Å; K116-V128 HydrophobicContact CB-CB 4.48Å; K116-V128 PolarHBondContact N-O 2.93Å; K116-V128 PolarHBondContact O-N 3.33Å
117E97.2Very high95.8Very high42 Ų4258.7 Ų58.720%0.19631%0.311CS..EExtended strand (participates in β ladder)trans-91.2123.9177.6-177.8175.1-134.200109.5R40 G81 V83 F115 N125 Y127R40-E117 IonicContact CZ-OE1 3.48Å; R40-E117 IonicContact CZ-OE2 2.8Å; R40-E117 IonicContact NH1-OE1 2.74Å; R40-E117 PolarHBondContact NH1-OE1 2.85Å; R40-E117 IonicContact NH1-OE2 3.5Å; R40-E117 PolarHBondContact NH1-OE2 2.85Å; R40-E117 IonicContact NH2-OE1 2.7Å; R40-E117 PolarHBondContact NH2-OE1 3.17Å; R40-E117 IonicContact NH2-OE2 3.63Å; R40-E117 PolarHBondContact NH2-OE2 2.91Å; G81-E117 PolarHBondContact O-N 2.76Å; V83-E117 HydrophobicContact CG1-CB 4.26Å; V83-E117 HydrophobicContact CG2-CB 4.21Å; F115-E117 PolarHBondContact O-N 3.14Å; E117-N125 PolarHBondContact OE1-ND2 3.28Å; E117-Y127 HydrophobicContact CB-CD1 3.98Å; E117-Y127 HydrophobicContact CB-CE1 3.79Å; E117-Y127 HydrophobicContact CG-CD1 4.1Å; E117-Y127 HydrophobicContact CG-CE1 3.49Å; E117-Y127 VanDerWaalsContact CG-CE1 3.49Å; E117-Y127 VanDerWaalsContact OE1-CE1 3.31Å; E117-Y127 WeakPolarHBondContact OE1-CE1 3.48Å; E117-Y127 PolarHBondContact OE1-OH 2.8Å
118N95.6Very high95.8Very high63 Ų6356.2 Ų56.234%0.33730%0.296SS..EExtended strand (participates in β ladder)trans-128.2131.7176.6-73.175.3000109.7K116 N125 I126K116-N118 WeakPolarHBondContact CG-OD1 3.29Å; N118-N125 CarbonylContact O-C 3.58Å; N118-N125 WeakPolarHBondContact O-CA 3.31Å; N118-I126 HydrophobicContact CB-CD1 4.12Å; N118-I126 HydrophobicContact CB-CG1 3.72Å; N118-I126 PolarHBondContact N-O 3.08Å; N118-I126 WeakPolarHBondContact O-CG1 3.4Å; N118-I126 PolarHBondContact O-N 3.17Å
119I95.1Very high95.7Very high125 Ų12552.6 Ų52.664%0.64128%0.282SS*.EExtended strand (participates in β ladder)trans-89124.1171.8-49.9179.5000107.6
120L93.5Very high95.3Very high29 Ų2954.8 Ų54.815%0.15230%0.295CS..  trans-79.6162.2177.1-66.8-176.1000111.3D122 G123 Y124 I126 I152 Q157L120-D122 WeakPolarHBondContact CB-OD1 3.24Å; L120-D122 PolarHBondContact O-N 2.88Å; L120-D122 VanDerWaalsContact O-N 3.11Å; L120-G123 PolarHBondContact O-N 2.77Å; L120-Y124 WeakPolarHBondContact CB-O 3.22Å; L120-Y124 PolarHBondContact N-O 3.48Å; L120-I126 HydrophobicContact CD1-CG2 3.66Å; L120-I126 HydrophobicContact CD2-CD1 3.97Å; L120-I126 HydrophobicContact CD2-CG1 4.26Å; L120-I126 HydrophobicContact CD2-CG2 4.38Å; L120-I126 HydrophobicContact CG-CG1 4.44Å; L120-I126 HydrophobicContact CG-CG2 3.97Å; L120-I152 HydrophobicContact CD1-CD1 3.81Å; L120-I152 HydrophobicContact CD2-CD1 3.67Å; L120-I152 HydrophobicContact CG-CD1 4.4Å; L120-Q157 HydrophobicContact CD1-CG 3.84Å; L120-Q157 VanDerWaalsContact CD1-NE2 3.28Å
121P93.7Very high95.2Very high144 Ų14454.5 Ų54.594%0.93529%0.294SS*.THydrogen-bonded Turntrans-59.3-22.5176.9-24.835000114.5G123P121-G123 VanDerWaalsContact C-N 3.27Å
122D90.5Very high94.9Very high79 Ų7951.6 Ų51.642%0.42228%0.277SS..THydrogen-bonded Turntrans-84.12175.862.64.9000113.3L120 Y124 Q157L120-D122 WeakPolarHBondContact CB-OD1 3.24Å; L120-D122 PolarHBondContact O-N 2.88Å; L120-D122 VanDerWaalsContact O-N 3.11Å; D122-Y124 VanDerWaalsContact C-N 3.35Å; D122-Y124 HydrophobicContact CB-CD2 4.2Å; D122-Y124 PolarHBondContact OD1-N 2.8Å; D122-Q157 PolarHBondContact OD2-NE2 3.2Å
123G92Very high94.5Very high41 Ų4153.4 Ų53.442%0.42330%0.301SS..SBendtrans84.61.6177.500000115L120 P121L120-G123 PolarHBondContact O-N 2.77Å; P121-G123 VanDerWaalsContact C-N 3.27Å
124Y94.8Very high94.2Very high63 Ų6355.6 Ų55.625%0.24732%0.315CS..  trans-87149.2175.5-69.9-95.7000111.6A47 L120 D122 Q157 L159A47-Y124 HydrophobicContact CB-CE1 3.57Å; A47-Y124 WeakPolarHBondContact CB-OH 3.44Å; L120-Y124 WeakPolarHBondContact CB-O 3.22Å; L120-Y124 PolarHBondContact N-O 3.48Å; D122-Y124 VanDerWaalsContact C-N 3.35Å; D122-Y124 HydrophobicContact CB-CD2 4.2Å; D122-Y124 PolarHBondContact OD1-N 2.8Å; Y124-Q157 HydrophobicContact CD1-CB 4.33Å; Y124-Q157 HydrophobicContact CG-CB 4.26Å; Y124-L159 HydrophobicContact CD1-CB 4.04Å; Y124-L159 HydrophobicContact CE1-CB 3.89Å
125N95.8Very high94Very high12 Ų1256.7 Ų56.76%0.06432%0.32CS..EExtended strand (participates in β ladder)trans-91.4141.3174.4-65.911.9000110.2E117 N118 Y127 F158E117-N125 PolarHBondContact OE1-ND2 3.28Å; N118-N125 CarbonylContact O-C 3.58Å; N118-N125 WeakPolarHBondContact O-CA 3.31Å; N125-Y127 HydrophobicContact CB-CE2 4.04Å; N125-Y127 PolarHBondContact ND2-OH 2.9Å; N125-F158 PolarHBondContact N-O 3.17Å; N125-F158 PolarHBondContact O-N 3.14Å
126I95.8Very high93.8Very high16 Ų1656.7 Ų56.78%0.08232%0.319CS..EExtended strand (participates in β ladder)trans-116.1152.7163.861.4167.4000109.2N118 L120 V128 L135 I152 S156 Q157N118-I126 HydrophobicContact CB-CD1 4.12Å; N118-I126 HydrophobicContact CB-CG1 3.72Å; N118-I126 PolarHBondContact N-O 3.08Å; N118-I126 WeakPolarHBondContact O-CG1 3.4Å; N118-I126 PolarHBondContact O-N 3.17Å; L120-I126 HydrophobicContact CD1-CG2 3.66Å; L120-I126 HydrophobicContact CD2-CD1 3.97Å; L120-I126 HydrophobicContact CD2-CG1 4.26Å; L120-I126 HydrophobicContact CD2-CG2 4.38Å; L120-I126 HydrophobicContact CG-CG1 4.44Å; L120-I126 HydrophobicContact CG-CG2 3.97Å; I126-V128 HydrophobicContact CD1-CG2 4.26Å; I126-L135 HydrophobicContact CB-CD2 3.83Å; I126-L135 HydrophobicContact CD1-CD2 3.95Å; I126-L135 HydrophobicContact CG1-CD2 4.34Å; I126-L135 HydrophobicContact CG2-CD2 4.39Å; I126-I152 HydrophobicContact CD1-CD1 4.23Å; I126-I152 HydrophobicContact CG2-CG2 4.07Å; I126-S156 WeakPolarHBondContact CG2-O 3.35Å; I126-Q157 HydrophobicContact CG2-CG 4.2Å
127Y97.4Very high93.6Very high0 Ų052 Ų520%030%0.3CS..EExtended strand (participates in β ladder)trans-126.6119.3178.8-60.9-81.5000108.5L44 V83 I85 F115 K116 E117 N125 L135 V136 F158L44-Y127 HydrophobicContact CD1-CE2 4.11Å; L44-Y127 HydrophobicContact CD2-CE2 3.91Å; V83-Y127 HydrophobicContact CG2-CD1 3.82Å; V83-Y127 HydrophobicContact CG2-CE1 3.79Å; I85-Y127 HydrophobicContact CD1-CD1 3.96Å; I85-Y127 HydrophobicContact CD1-CD2 4.45Å; I85-Y127 HydrophobicContact CD1-CE1 4.15Å; I85-Y127 HydrophobicContact CD1-CG 4.13Å; F115-Y127 HydrophobicContact CB-CD1 4.45Å; K116-Y127 WeakPolarHBondContact O-CA 3.46Å; E117-Y127 HydrophobicContact CB-CD1 3.98Å; E117-Y127 HydrophobicContact CB-CE1 3.79Å; E117-Y127 HydrophobicContact CG-CD1 4.1Å; E117-Y127 HydrophobicContact CG-CE1 3.49Å; E117-Y127 VanDerWaalsContact CG-CE1 3.49Å; E117-Y127 VanDerWaalsContact OE1-CE1 3.31Å; E117-Y127 WeakPolarHBondContact OE1-CE1 3.48Å; E117-Y127 PolarHBondContact OE1-OH 2.8Å; N125-Y127 HydrophobicContact CB-CE2 4.04Å; N125-Y127 PolarHBondContact ND2-OH 2.9Å; Y127-L135 CarbonylContact O-C 3.57Å; Y127-L135 WeakPolarHBondContact O-CA 3.44Å; Y127-V136 PolarHBondContact O-N 3.27Å; Y127-F158 HydrophobicContact CD2-CD2 4Å; Y127-F158 HydrophobicContact CE2-CB 4.26Å; Y127-F158 HydrophobicContact CE2-CD2 4.26Å
128V95.8Very high93.4Very high38 Ų3851.5 Ų51.523%0.2330%0.298CS..EExtended strand (participates in β ladder)trans-113.9127.9-174.9-174.90000109.6F115 K116 I126 D130 L135F115-V128 CarbonylContact C-O 3.49Å; F115-V128 VanDerWaalsContact CA-O 3.27Å; F115-V128 WeakPolarHBondContact CA-O 3.39Å; K116-V128 HydrophobicContact CB-CB 4.48Å; K116-V128 PolarHBondContact N-O 2.93Å; K116-V128 PolarHBondContact O-N 3.33Å; I126-V128 HydrophobicContact CD1-CG2 4.26Å; V128-D130 PolarHBondContact O-N 2.75Å; V128-L135 HydrophobicContact CG2-CD2 3.54Å; V128-L135 HydrophobicContact CG2-CG 4.41Å
129S95.7Very high92.8Very high0 Ų048.7 Ų48.70%029%0.285CS..EExtended strand (participates in β ladder)trans-73.1122.5167.5173.10000109.1M96 H132 G133 T134M96-S129 VanDerWaalsContact SD-CB 3.54Å; S129-H132 PolarHBondContact OG-CD2 3.01Å; S129-H132 PolarHBondContact OG-N 3.49Å; S129-H132 VanDerWaalsContact OG-N 3.17Å; S129-G133 WeakPolarHBondContact O-CA 3.43Å; S129-G133 PolarHBondContact O-N 2.72Å; S129-T134 PolarHBondContact N-O 3.05Å
130D89.6Confident91.8Very high143 Ų14344.7 Ų44.777%0.76527%0.274SS*.THydrogen-bonded Turntrans-66.3-43.4178-164.649.9000111.1V128V128-D130 PolarHBondContact O-N 2.75Å
131K92.3Very high90.7Very high108 Ų10846.6 Ų46.647%0.4729%0.29SS..THydrogen-bonded Turntrans-63-45.6177.7178.6174.8173-171.60113.2D111 D112D111-K131 HydrophobicContact CB-CD 3.6Å; D111-K131 WeakPolarHBondContact O-CB 3.28Å; D111-K131 WeakPolarHBondContact O-CD 3.37Å; D111-K131 IonicContact OD2-NZ 2.88Å; D112-K131 IonicContact OD1-NZ 3.74Å; D112-K131 PolarHBondContact OD1-NZ 3.01Å; D112-K131 IonicContact OD2-NZ 3.71Å
132H90.4Very high89.4Confident39 Ų3949.8 Ų49.818%0.18128%0.283CS..THydrogen-bonded Turntrans-95.5-9.3-172.4-55.9-55.6000113.2M96 G98 D112 S129 T134M96-H132 PolarHBondContact O-CD2 3.21Å; M96-H132 PolarHBondContact O-NE2 2.88Å; M96-H132 HydrophobicContact SD-CB 4.23Å; G98-H132 VanDerWaalsContact CA-ND1 3.33Å; G98-H132 WeakPolarHBondContact CA-ND1 3.39Å; D112-H132 IonicContact OD1-CE1 3.24Å; D112-H132 PolarHBondContact OD1-CE1 3.01Å; D112-H132 IonicContact OD1-NE2 2.9Å; D112-H132 PolarHBondContact OD1-NE2 3Å; S129-H132 PolarHBondContact OG-CD2 3.01Å; S129-H132 PolarHBondContact OG-N 3.49Å; S129-H132 VanDerWaalsContact OG-N 3.17Å; H132-T134 PolarHBondContact O-N 3.27Å; H132-T134 VanDerWaalsContact O-N 3.1Å
133G88.8Confident88.4Confident62 Ų6251 Ų5164%0.63929%0.286SS*.  trans59.820.2-178.300000114.1S129S129-G133 WeakPolarHBondContact O-CA 3.43Å; S129-G133 PolarHBondContact O-N 2.72Å
134T90.4Very high87.2Confident47 Ų4751.4 Ų51.429%0.28828%0.275SS..  trans-122151.1-173.748.70000111.9M96 S129 H132M96-T134 PolarHBondContact SD-OG1 3.12Å; S129-T134 PolarHBondContact N-O 3.05Å; H132-T134 PolarHBondContact O-N 3.27Å; H132-T134 VanDerWaalsContact O-N 3.1Å
135L93.4Very high85.7Confident36 Ų3654.4 Ų54.419%0.18830%0.295CS..BIsolated β-bridgetrans-80.9142.2-179.4-70.7157.8000111I126 Y127 V128 S137 I152I126-L135 HydrophobicContact CB-CD2 3.83Å; I126-L135 HydrophobicContact CD1-CD2 3.95Å; I126-L135 HydrophobicContact CG1-CD2 4.34Å; I126-L135 HydrophobicContact CG2-CD2 4.39Å; Y127-L135 CarbonylContact O-C 3.57Å; Y127-L135 WeakPolarHBondContact O-CA 3.44Å; V128-L135 HydrophobicContact CG2-CD2 3.54Å; V128-L135 HydrophobicContact CG2-CG 4.41Å; L135-S137 PolarHBondContact O-N 3.06Å; L135-I152 HydrophobicContact CD1-CG2 4.04Å
136V95.3Very high84Confident0 Ų061.2 Ų61.20%033%0.326CS..  trans-56.3126.7160.8176.80000107.6L53 L94 M96 L102 F115 Y127 S156 F158L53-V136 HydrophobicContact CD1-CG1 4.22Å; L94-V136 HydrophobicContact CD2-CG1 4.07Å; M96-V136 HydrophobicContact CE-CB 4.46Å; M96-V136 HydrophobicContact CE-CG2 3.94Å; L102-V136 HydrophobicContact CD1-CG1 3.72Å; L102-V136 HydrophobicContact CD2-CG1 4.19Å; L102-V136 HydrophobicContact CD2-CG2 4.33Å; F115-V136 HydrophobicContact CD1-CG2 3.6Å; F115-V136 HydrophobicContact CD2-CG2 4.44Å; F115-V136 HydrophobicContact CE1-CG2 3.71Å; F115-V136 HydrophobicContact CG-CG2 3.99Å; F115-V136 HydrophobicContact CZ-CG2 4.19Å; Y127-V136 PolarHBondContact O-N 3.27Å; V136-S156 VanDerWaalsContact O-CA 3.25Å; V136-S156 WeakPolarHBondContact O-CA 3.42Å; V136-S156 WeakPolarHBondContact O-CB 3.31Å; V136-S156 PolarHBondContact O-OG 2.94Å; V136-F158 HydrophobicContact CB-CE2 4.36Å; V136-F158 HydrophobicContact CG1-CE2 3.95Å; V136-F158 HydrophobicContact CG1-CZ 4.11Å
137S93.4Very high82.2Confident6 Ų661.1 Ų61.14%0.04233%0.329CS..  trans-148.5132.3-177.2-159.20000110.2L102 L135 G139 L155 S156L102-S137 WeakPolarHBondContact CD1-O 3.44Å; L135-S137 PolarHBondContact O-N 3.06Å; S137-G139 PolarHBondContact O-N 3.45Å; S137-G139 PolarHBondContact OG-N 3.41Å; S137-L155 WeakPolarHBondContact CA-O 3.33Å; S137-S156 WeakPolarHBondContact CB-OG 3.17Å; S137-S156 PolarHBondContact OG-OG 2.91Å
138L91.6Very high80.2Confident30 Ų3071.2 Ų71.216%0.15737%0.367CS..SBendtrans-76-4.5171.1-63.9178.9000112.6A46 L51 L53 L155 F158A46-L138 HydrophobicContact CB-CD1 4.26Å; L51-L138 HydrophobicContact CB-CD1 4.09Å; L53-L138 HydrophobicContact CB-CD2 4.19Å; L53-L138 HydrophobicContact CD1-CD2 4.1Å; L53-L138 HydrophobicContact CG-CD2 4.02Å; L138-L155 HydrophobicContact CB-CD2 4.28Å; L138-L155 PolarHBondContact N-O 3.47Å; L138-F158 HydrophobicContact CD1-CE1 3.99Å; L138-F158 HydrophobicContact CG-CE1 4.03Å; L138-F158 HydrophobicContact CG-CZ 4.14Å
139G82.9Confident78.5Confident5 Ų577.2 Ų77.25%0.05240%0.398CS..SBendtrans-73.9146.8178.300000114S137 Q143 R144S137-G139 PolarHBondContact O-N 3.45Å; S137-G139 PolarHBondContact OG-N 3.41Å; G139-Q143 VanDerWaalsContact CA-OE1 3.25Å; G139-R144 PolarHBondContact O-NH1 2.9Å
140G75.1Confident76.9Confident41 Ų4188.2 Ų88.242%0.42344%0.439SS..  trans-70.1168.1172.800000112.4R142 Q143 R144G140-R142 PolarHBondContact O-N 3.42Å; G140-R142 VanDerWaalsContact O-N 3.13Å; G140-Q143 PolarHBondContact O-N 3.37Å; G140-R144 PolarHBondContact O-N 3.41Å
141S69.6Low76.1Confident68 Ų6884 Ų8448%0.47643%0.43SS..Hα-helixtrans-54-37.6-178.8-53.40000113.3R144 L145S141-R144 PolarHBondContact O-N 3.21Å; S141-R144 PolarHBondContact OG-NH2 3.18Å; S141-L145 VanDerWaalsContact O-CG 3.31Å; S141-L145 WeakPolarHBondContact O-CG 3.18Å; S141-L145 PolarHBondContact O-N 3.3Å; S141-L145 VanDerWaalsContact O-N 3.09Å
142R66.1Low75.1Confident211 Ų21182 Ų8280%0.79642%0.424SS*.Hα-helixtrans-64.5-40.9177.1-68.6-175.1179-176.5-0.3113G140 L145 Q146G140-R142 PolarHBondContact O-N 3.42Å; G140-R142 VanDerWaalsContact O-N 3.13Å; R142-L145 PolarHBondContact O-N 3.28Å; R142-Q146 PolarHBondContact O-N 2.72Å; R142-Q146 VanDerWaalsContact O-N 3.11Å
143Q69.4Low74.4Confident105 Ų10581.8 Ų81.849%0.49143%0.426SS..Hα-helixtrans-70.3-35.8178.1-73.5171.4-32.500111.3G139 G140 L145 Q146 G147G139-Q143 VanDerWaalsContact CA-OE1 3.25Å; G140-Q143 PolarHBondContact O-N 3.37Å; Q143-L145 VanDerWaalsContact C-N 3.34Å; Q143-L145 PolarHBondContact O-N 3.37Å; Q143-Q146 PolarHBondContact O-N 3.2Å; Q143-G147 PolarHBondContact O-N 2.94Å; Q143-G147 VanDerWaalsContact O-N 3.08Å
144R67.3Low73.6Confident49 Ų4980.4 Ų80.419%0.18541%0.409CS..Hα-helixtrans-62.2-39.9173.1-73.7-164.8-72.7-109-2.7112.4G100 G139 G140 S141G100-R144 VanDerWaalsContact O-CZ 3.31Å; G100-R144 PolarHBondContact O-NH1 2.96Å; G139-R144 PolarHBondContact O-NH1 2.9Å; G140-R144 PolarHBondContact O-N 3.41Å; S141-R144 PolarHBondContact O-N 3.21Å; S141-R144 PolarHBondContact OG-NH2 3.18Å
145L63.7Low73.1Confident126 Ų12678.8 Ų78.866%0.6640%0.398SS*.Hα-helixtrans-68.7-41177.5-67.4170.3000112.3S141 R142 Q143 G147S141-L145 VanDerWaalsContact O-CG 3.31Å; S141-L145 WeakPolarHBondContact O-CG 3.18Å; S141-L145 PolarHBondContact O-N 3.3Å; S141-L145 VanDerWaalsContact O-N 3.09Å; R142-L145 PolarHBondContact O-N 3.28Å; Q143-L145 VanDerWaalsContact C-N 3.34Å; Q143-L145 PolarHBondContact O-N 3.37Å; L145-G147 VanDerWaalsContact C-N 3.32Å; L145-G147 PolarHBondContact O-N 2.96Å
146Q60.2Low73Confident155 Ų15577.1 Ų77.172%0.72439%0.389SS*.Hα-helixtrans-71.2-24.8178.9-76.6175.722.700113.6R142 Q143R142-Q146 PolarHBondContact O-N 2.72Å; R142-Q146 VanDerWaalsContact O-N 3.11Å; Q143-Q146 PolarHBondContact O-N 3.2Å
147G56.7Low72.9Confident14 Ų1477.9 Ų77.914%0.14439%0.393CS..THydrogen-bonded Turntrans-80.8-10.7179.500000115Q143 L145 D149 R150Q143-G147 PolarHBondContact O-N 2.94Å; Q143-G147 VanDerWaalsContact O-N 3.08Å; L145-G147 VanDerWaalsContact C-N 3.32Å; L145-G147 PolarHBondContact O-N 2.96Å; G147-D149 VanDerWaalsContact C-N 3.26Å; G147-D149 PolarHBondContact O-N 3.22Å; G147-R150 PolarHBondContact O-N 3.36Å; G147-R150 VanDerWaalsContact O-N 3.12Å
148R57.4Low73.1Confident213 Ų21377.6 Ų77.680%0.80439%0.391SS*.THydrogen-bonded Turntrans-62.8-29.5-169.5-163.2171.3179.3167.6-0.4113.8
149D58.5Low73.3Confident164 Ų16479.4 Ų79.488%0.87740%0.401SS*.THydrogen-bonded Turntrans-93.5-7.2178.8-90.9-10.5000114.4G147G147-D149 VanDerWaalsContact C-N 3.26Å; G147-D149 PolarHBondContact O-N 3.22Å
150R62Low73.9Confident230 Ų23080.9 Ų80.987%0.86841%0.409SS*.SBendtrans-109.417.6-171.6-68.2-171.6177.4-178.70114.4G147G147-R150 PolarHBondContact O-N 3.36Å; G147-R150 VanDerWaalsContact O-N 3.12Å
151G73.8Confident74.9Confident55 Ų5583.4 Ų83.457%0.56741%0.406SS*.SBendtrans80.4-147.3-17600000112.7P153G151-P153 WeakPolarHBondContact O-CD 3.44Å
152I72Confident76Confident67 Ų6783.8 Ų83.834%0.34441%0.405SS..SBendtrans-68.5123.4-176-61174.7000109.9L120 I126 L135 A154 Q157L120-I152 HydrophobicContact CD1-CD1 3.81Å; L120-I152 HydrophobicContact CD2-CD1 3.67Å; L120-I152 HydrophobicContact CG-CD1 4.4Å; I126-I152 HydrophobicContact CD1-CD1 4.23Å; I126-I152 HydrophobicContact CG2-CG2 4.07Å; L135-I152 HydrophobicContact CD1-CG2 4.04Å; I152-A154 PolarHBondContact O-N 2.84Å; I152-Q157 HydrophobicContact CG2-CG 3.98Å
153P75.6Confident77.2Confident33 Ų3375.7 Ų75.721%0.21438%0.381CS..  trans-59.6137.3177.1-24.234.4000112G151 L155 S156G151-P153 WeakPolarHBondContact O-CD 3.44Å; P153-L155 PolarHBondContact O-N 3.48Å; P153-L155 VanDerWaalsContact O-N 3.11Å; P153-S156 WeakPolarHBondContact O-CB 3.44Å; P153-S156 PolarHBondContact O-N 3.39Å
154A72.1Confident78.3Confident34 Ų3475.8 Ų75.828%0.28139%0.388SS..G310 helixtrans-62.5-20.5-179.300000114.2K48 H49 I152 S156K48-A154 HydrophobicContact CB-CB 4.07Å; K48-A154 HydrophobicContact CD-CB 3.35Å; K48-A154 HydrophobicContact CG-CB 4.32Å; H49-A154 VanDerWaalsContact CE1-CB 3.49Å; H49-A154 WeakPolarHBondContact CE1-CB 3.49Å; I152-A154 PolarHBondContact O-N 2.84Å; A154-S156 VanDerWaalsContact C-N 3.28Å
155L79.7Confident79.3Confident13 Ų1375.3 Ų75.37%0.06839%0.39CS..G310 helixtrans-83.81.2173.4-74.6166.8000113.9H49 S137 L138 P153H49-L155 HydrophobicContact CB-CD2 3.65Å; H49-L155 VanDerWaalsContact CD2-CD2 3.43Å; H49-L155 WeakPolarHBondContact CD2-CD2 3.44Å; H49-L155 WeakPolarHBondContact CE1-CG 3.27Å; H49-L155 VanDerWaalsContact ND1-CD2 3.26Å; H49-L155 WeakPolarHBondContact ND1-CD2 3.37Å; H49-L155 WeakPolarHBondContact NE2-CG 3.29Å; S137-L155 WeakPolarHBondContact CA-O 3.33Å; L138-L155 HydrophobicContact CB-CD2 4.28Å; L138-L155 PolarHBondContact N-O 3.47Å; P153-L155 PolarHBondContact O-N 3.48Å; P153-L155 VanDerWaalsContact O-N 3.11Å
156S90.4Very high80.2Confident1 Ų173.5 Ų73.51%0.00739%0.385CS..G310 helixtrans-109.9-3.4-178.9-68.40000113.8I126 V136 S137 P153 A154 F158I126-S156 WeakPolarHBondContact CG2-O 3.35Å; V136-S156 VanDerWaalsContact O-CA 3.25Å; V136-S156 WeakPolarHBondContact O-CA 3.42Å; V136-S156 WeakPolarHBondContact O-CB 3.31Å; V136-S156 PolarHBondContact O-OG 2.94Å; S137-S156 WeakPolarHBondContact CB-OG 3.17Å; S137-S156 PolarHBondContact OG-OG 2.91Å; P153-S156 WeakPolarHBondContact O-CB 3.44Å; P153-S156 PolarHBondContact O-N 3.39Å; A154-S156 VanDerWaalsContact C-N 3.28Å; S156-F158 WeakPolarHBondContact O-CD2 3.47Å
157Q94.1Very high80.1Confident15 Ų1572.4 Ų72.47%0.0738%0.384CS..  trans-97.2120.7174.3-67.3-178.1-24.700109.2A46 L120 D122 Y124 I126 I152A46-Q157 WeakPolarHBondContact CA-O 3.35Å; L120-Q157 HydrophobicContact CD1-CG 3.84Å; L120-Q157 VanDerWaalsContact CD1-NE2 3.28Å; D122-Q157 PolarHBondContact OD2-NE2 3.2Å; Y124-Q157 HydrophobicContact CD1-CB 4.33Å; Y124-Q157 HydrophobicContact CG-CB 4.26Å; I126-Q157 HydrophobicContact CG2-CG 4.2Å; I152-Q157 HydrophobicContact CG2-CG 3.98Å
158F96.6Very high80.1Confident0 Ų078 Ų780%041%0.41CS..BIsolated β-bridgetrans-119.9137.4-176.1-63-85.4000111.2L44 Y45 A46 L53 N125 Y127 V136 L138 S156L44-F158 HydrophobicContact CB-CB 4.27Å; L44-F158 HydrophobicContact CB-CD1 3.85Å; L44-F158 HydrophobicContact CB-CG 4.25Å; L44-F158 HydrophobicContact CD2-CB 4.29Å; Y45-F158 CarbonylContact O-C 3.48Å; Y45-F158 WeakPolarHBondContact O-CA 3.47Å; A46-F158 HydrophobicContact CB-CD1 4.16Å; A46-F158 HydrophobicContact CB-CE1 4.06Å; L53-F158 HydrophobicContact CB-CE1 4.44Å; L53-F158 HydrophobicContact CD1-CE1 4.48Å; L53-F158 HydrophobicContact CD1-CZ 4.5Å; N125-F158 PolarHBondContact N-O 3.17Å; N125-F158 PolarHBondContact O-N 3.14Å; Y127-F158 HydrophobicContact CD2-CD2 4Å; Y127-F158 HydrophobicContact CE2-CB 4.26Å; Y127-F158 HydrophobicContact CE2-CD2 4.26Å; V136-F158 HydrophobicContact CB-CE2 4.36Å; V136-F158 HydrophobicContact CG1-CE2 3.95Å; V136-F158 HydrophobicContact CG1-CZ 4.11Å; L138-F158 HydrophobicContact CD1-CE1 3.99Å; L138-F158 HydrophobicContact CG-CE1 4.03Å; L138-F158 HydrophobicContact CG-CZ 4.14Å; S156-F158 WeakPolarHBondContact O-CD2 3.47Å
159L96.2Very high79.9Confident69 Ų6970.9 Ų70.936%0.36139%0.387SS..EExtended strand (participates in β ladder)trans-100.4115.6167.8-177.363.9000108.5Y45 Y124 R161Y45-L159 WeakPolarHBondContact CB-O 3.37Å; Y45-L159 PolarHBondContact N-O 3.15Å; Y45-L159 PolarHBondContact O-N 3.24Å; Y124-L159 HydrophobicContact CD1-CB 4.04Å; Y124-L159 HydrophobicContact CE1-CB 3.89Å; L159-R161 HydrophobicContact CD2-CG 4.5Å; L159-R161 HydrophobicContact CG-CG 4.42Å; L159-R161 PolarHBondContact O-N 2.87Å; L159-R161 VanDerWaalsContact O-N 3.17Å
160P95.9Very high79.5Confident35 Ų3564.8 Ų64.823%0.22736%0.356CS..EExtended strand (participates in β ladder)trans-70.3108.6175.3-17.631.5000110.7R42 L44R42-P160 HydrophobicContact CB-CB 4.14Å; R42-P160 HydrophobicContact CG-CB 4Å; L44-P160 HydrophobicContact CD2-CB 4.36Å; L44-P160 HydrophobicContact CD2-CG 4.25Å
161R95.3Very high79Confident95 Ų9557.9 Ų57.936%0.35834%0.34SS..EExtended strand (participates in β ladder)trans-97.2144.9179.2-63.7-179.969-171.43.8111.1R42 H43 H52 L159R42-R161 CarbonylContact C-O 3.55Å; R42-R161 VanDerWaalsContact CA-O 3.29Å; R42-R161 WeakPolarHBondContact CA-O 3.45Å; R42-R161 WeakPolarHBondContact CD-O 3.48Å; H43-R161 HydrophobicContact CB-CB 4.48Å; H43-R161 PolarHBondContact N-O 3.02Å; H43-R161 PolarHBondContact O-N 3.32Å; H52-R161 PolarHBondContact NE2-NH1 3.41Å; H52-R161 VanDerWaalsContact NE2-NH1 3.17Å; L159-R161 HydrophobicContact CD2-CG 4.5Å; L159-R161 HydrophobicContact CG-CG 4.42Å; L159-R161 PolarHBondContact O-N 2.87Å; L159-R161 VanDerWaalsContact O-N 3.17Å
162V93Very high77.8Confident75 Ų7561.9 Ų61.946%0.45535%0.348SS..PPolyproline II helixtrans-66.4152.8167.8-65.30000110.2Q67Q67-V162 PolarHBondContact NE2-O 2.96Å; Q67-V162 VanDerWaalsContact NE2-O 3.14Å
163S91.9Very high77.1Confident41 Ų4163.2 Ų63.229%0.28735%0.352SS..PPolyproline II helixtrans-72.1136174.9-160.70000110.2H43 L165H43-S163 WeakPolarHBondContact NE2-CA 3.18Å; H43-S163 VanDerWaalsContact NE2-CB 3.33Å; H43-S163 WeakPolarHBondContact NE2-CB 3.47Å; H43-S163 PolarHBondContact NE2-OG 3.05Å; S163-L165 PolarHBondContact OG-N 3.19Å
164T92.1Very high75.8Confident107 Ų10764.8 Ų64.866%0.65637%0.374SS*.  trans-107.810.2170.361.80000111.5Q67Q67-T164 PolarHBondContact OE1-OG1 3.08Å
165L89.1Confident74.8Confident40 Ų4068.4 Ų68.421%0.20939%0.388CS..SBendtrans-76.3148.6177.2-59.6177000110.1Q67 S68 S163 I169Q67-L165 HydrophobicContact CB-CD2 4.32Å; Q67-L165 HydrophobicContact CB-CG 4.44Å; S68-L165 VanDerWaalsContact C-CD1 3.46Å; S163-L165 PolarHBondContact OG-N 3.19Å; L165-I169 HydrophobicContact CB-CD1 4.5Å
166P81.3Confident72.5Confident88 Ų8872.3 Ų72.357%0.57142%0.416SS*.  trans-54.2141.4177.6-2533.9000112.7D168 I169P166-D168 PolarHBondContact O-N 3.04Å; P166-D168 VanDerWaalsContact O-N 3.08Å; P166-I169 PolarHBondContact O-N 3.23Å
167L58.9Low70.1Confident132 Ų13276.8 Ų76.869%0.69145%0.448SS*.THydrogen-bonded Turntrans-58.6-25.4-169.9-116.380.6000114.3I169 T170 T171L167-I169 PolarHBondContact O-N 3.2Å; L167-I169 VanDerWaalsContact O-N 3.13Å; L167-T170 WeakPolarHBondContact O-CB 3.26Å; L167-T170 PolarHBondContact O-N 3.47Å; L167-T170 PolarHBondContact O-OG1 2.99Å; L167-T171 PolarHBondContact O-N 3.37Å; L167-T171 PolarHBondContact O-OG1 3.45Å
168D56.2Low67.1Low131 Ų13183.5 Ų83.570%0.70148%0.478SS*.Hα-helixtrans-58.7-28.5-175.8-57.5-29.5000113.5P166 T170 T171P166-D168 PolarHBondContact O-N 3.04Å; P166-D168 VanDerWaalsContact O-N 3.08Å; D168-T170 VanDerWaalsContact C-N 3.33Å; D168-T171 WeakPolarHBondContact CA-OG1 3.41Å; D168-T171 PolarHBondContact O-OG1 3.08Å
169I53.3Low64.2Low63 Ų6388.9 Ų88.932%0.32351%0.513SS..Hα-helixtrans-72-31.1176.1-59.6174.9000110.4L165 P166 L167 F173L165-I169 HydrophobicContact CB-CD1 4.5Å; P166-I169 PolarHBondContact O-N 3.23Å; L167-I169 PolarHBondContact O-N 3.2Å; L167-I169 VanDerWaalsContact O-N 3.13Å; I169-F173 HydrophobicContact CG2-CD2 4.39Å; I169-F173 HydrophobicContact CG2-CE2 3.79Å; I169-F173 WeakPolarHBondContact O-CD2 3.3Å; I169-F173 VanDerWaalsContact O-CE2 3.3Å; I169-F173 WeakPolarHBondContact O-CE2 2.94Å
170T51.1Low61Low37 Ų3794.4 Ų94.423%0.22754%0.537CS..Hα-helixtrans-80.8-29.9-174-36.40000112L41 L167 D168L41-T170 HydrophobicContact CD1-CG2 4.2Å; L167-T170 WeakPolarHBondContact O-CB 3.26Å; L167-T170 PolarHBondContact O-N 3.47Å; L167-T170 PolarHBondContact O-OG1 2.99Å; D168-T170 VanDerWaalsContact C-N 3.33Å
171T51.3Low57.8Low84 Ų84102 Ų10252%0.51557%0.57SS.*Hα-helixtrans-71.4-29.1178.235.20000113.5L167 D168 F173L167-T171 PolarHBondContact O-N 3.37Å; L167-T171 PolarHBondContact O-OG1 3.45Å; D168-T171 WeakPolarHBondContact CA-OG1 3.41Å; D168-T171 PolarHBondContact O-OG1 3.08Å; T171-F173 VanDerWaalsContact C-N 3.3Å; T171-F173 PolarHBondContact O-N 3.46Å
172D48.8Very low54.7Low140 Ų140100.4 Ų100.475%0.74958%0.583SS**THydrogen-bonded Turntrans-74.8-19.2178.7-157.838.7000112.9
173F57.5Low51.9Low95 Ų95102.9 Ų102.942%0.41760%0.6SS.*THydrogen-bonded Turntrans-94.518179-63.7-68000114.4V88 A89 I169 T171V88-F173 HydrophobicContact CG1-CB 3.87Å; V88-F173 HydrophobicContact CG1-CD1 3.81Å; V88-F173 HydrophobicContact CG1-CD2 3.54Å; V88-F173 HydrophobicContact CG1-CE1 4.26Å; V88-F173 HydrophobicContact CG1-CE2 4.06Å; V88-F173 HydrophobicContact CG1-CG 3.45Å; V88-F173 VanDerWaalsContact CG1-CG 3.45Å; V88-F173 HydrophobicContact CG1-CZ 4.4Å; A89-F173 HydrophobicContact CB-CZ 4.42Å; I169-F173 HydrophobicContact CG2-CD2 4.39Å; I169-F173 HydrophobicContact CG2-CE2 3.79Å; I169-F173 WeakPolarHBondContact O-CD2 3.3Å; I169-F173 VanDerWaalsContact O-CE2 3.3Å; I169-F173 WeakPolarHBondContact O-CE2 2.94Å; T171-F173 VanDerWaalsContact C-N 3.3Å; T171-F173 PolarHBondContact O-N 3.46Å
174G47.4Very low49.1Very low65 Ų65110.5 Ų110.567%0.6763%0.631SS**THydrogen-bonded Turntrans80.629.2167.100000116.1
175L50.7Low46.2Very low110 Ų110110.9 Ų110.958%0.57664%0.639SS**  trans-95.991.2167.5-143.580000109.6L41 S177L41-L175 HydrophobicContact CD1-CD2 4.33Å; L175-S177 VanDerWaalsContact C-N 3.34Å; L175-S177 PolarHBondContact O-N 2.85Å
176S32.3Very low43.5Very low96 Ų96112.5 Ų112.567%0.67167%0.665SS**  trans-66.693.6166.649.80000109.3H178S176-H178 VanDerWaalsContact C-N 3.33Å; S176-H178 PolarHBondContact O-N 3.38Å
177S39Very low41.3Very low95 Ų95116.5 Ų116.566%0.66468%0.681SS**  trans-73100.1146.149.50000105.4L175 P179L175-S177 VanDerWaalsContact C-N 3.34Å; L175-S177 PolarHBondContact O-N 2.85Å; S177-P179 WeakPolarHBondContact O-CD 3.4Å
178H31.6Very low40.5Very low155 Ų155118 Ų11872%0.71869%0.69SS**  trans-58.1120.1167.3-88.6-71.1000107.8S176 E180S176-H178 VanDerWaalsContact C-N 3.33Å; S176-H178 PolarHBondContact O-N 3.38Å; H178-E180 PolarHBondContact O-N 3.13Å
179P34.7Very low39.9Very low113 Ų113119.7 Ų119.773%0.73470%0.697SS**  trans-75.6100.6149.518.1-1.3000104.7S177 Q181S177-P179 WeakPolarHBondContact O-CD 3.4Å; P179-Q181 PolarHBondContact O-N 3.4Å
180E28.9Very low39.3Very low185 Ų185123.7 Ų123.786%0.86472%0.719SS**  trans-57.9117.8169.2-79.4-156.8111.100108.4H178 G182H178-E180 PolarHBondContact O-N 3.13Å; E180-G182 PolarHBondContact O-N 2.6Å; E180-G182 VanDerWaalsContact O-N 3.12Å
181Q30Very low38.7Very low195 Ų195127.6 Ų127.691%0.91174%0.743SS**  trans-61109.4172.6-70.4169.9-53.500108.1P179P179-Q181 PolarHBondContact O-N 3.4Å
182G30.3Very low38.3Very low61 Ų61131.6 Ų131.663%0.62976%0.758SS**PPolyproline II helixtrans-62.3146.3166.200000110.5E180E180-G182 PolarHBondContact O-N 2.6Å; E180-G182 VanDerWaalsContact O-N 3.12Å
183P32.7Very low38.5Very low127 Ų127133 Ų13383%0.82577%0.765SS**PPolyproline II helixtrans-61.6139.3-176.2-1829.7000112.1S185P183-S185 PolarHBondContact O-N 3.02Å
184Q33.2Very low37.8Very low201 Ų201132.3 Ų132.394%0.93978%0.777SS**PPolyproline II helixtrans-58.8117.2168.5-68.7-178.8-34.900110.4
185S33Very low37.7Very low116 Ų116138.8 Ų138.881%0.81179%0.787SS**  trans-133100.9152.561.20000107.5P183P183-S185 PolarHBondContact O-N 3.02Å
186G31.5Very low37.2Very low74 Ų74136.8 Ų136.876%0.76379%0.793SS**  trans-67.4135.9173.500000111
187L34.8Very low37.7Very low171 Ų171141.8 Ų141.890%0.89580%0.803SS**  trans-144.6108.6139.4-75.6-178000106.2I189L187-I189 PolarHBondContact O-N 3.4Å
188D42.2Very low37.6Very low165 Ų165145 Ų14588%0.88281%0.812SS**  trans-55.6126.2159.8-77.8-51.7000108.5
189I43.4Very low38Very low165 Ų165141.7 Ų141.785%0.84681%0.806SS**  trans-145.3122.5154.3-135.679.1000107.2L187L187-I189 PolarHBondContact O-N 3.4Å
190D40.1Very low38.7Very low147 Ų147145.5 Ų145.579%0.78681%0.814SS**  trans-47.9157.6-175.4-65.6-61.9000114.3
191T38.5Very low39.2Very low120 Ų120142.5 Ų142.574%0.73681%0.808SS**  131112.6124.6-52.20000115.6
192M43.3Very low40Very low167 Ų167137.8 Ų137.882%0.82380%0.797SS**  trans81.799.4150.6-61.8-80.617600120
193D53.6Low40.8Very low170 Ų170141.9 Ų141.991%0.90980%0.803SS**  trans-48.7129.2138.3-85.2-48.8000111
194A43.5Very low41.3Very low80 Ų80144.3 Ų144.366%0.66180%0.803SS**  trans-146.6117.9158.700000110.9
195F43.7Very low41.9Very low201 Ų201138.8 Ų138.888%0.88279%0.787SS**  trans90.676.6168-63.6-82.7000118.7
196G41.4Very low42.8Very low69 Ų69139.8 Ų139.871%0.71179%0.79SS**  trans-63.6144.7136.200000112.1
197K41.9Very low44Very low201 Ų201141.4 Ų141.487%0.87479%0.79SS**  trans58.6114.5159.7-97.3176174.1175.40118.1
198L37.8Very low44.9Very low162 Ų162142.6 Ų142.685%0.84879%0.788SS**  -169.5132.6119.3-98.4154.9000112.1
199S38.8Very low45.2Very low85 Ų85142.4 Ų142.459%0.59479%0.787SS**  trans68.2105.7140.7-47.10000121.2V201S199-V201 PolarHBondContact O-N 3.43Å
200Q50.9Low45.3Very low194 Ų194144 Ų14491%0.90779%0.788SS**  7.688.7125.8-169.3167.9-600115.2
201V39.6Very low45.5Very low121 Ų121152 Ų15273%0.73381%0.807SS**  trans-91.899.4166.3177.60000107.8S199 I203S199-V201 PolarHBondContact O-N 3.43Å; V201-I203 HydrophobicContact CG1-CG1 3.86Å; V201-I203 PolarHBondContact O-N 3.28Å
202S46.1Very low45.8Very low97 Ų97153.6 Ų153.668%0.67881%0.81SS**  trans-71.6101.3162.552.80000108.6Q204S202-Q204 PolarHBondContact O-N 3.46Å
203I46.1Very low45.9Very low146 Ų146152.8 Ų152.875%0.74981%0.81SS**  trans-75.492.7172.7-56.3174.2000107.5V201 S205V201-I203 HydrophobicContact CG1-CG1 3.86Å; V201-I203 PolarHBondContact O-N 3.28Å; I203-S205 PolarHBondContact O-N 3.21Å
204Q44.2Very low45.5Very low179 Ų179151.9 Ų151.984%0.83680%0.804SS**  trans-79.9104.9172.6-161.8158.2-10.700108.5S202S202-Q204 PolarHBondContact O-N 3.46Å
205S45.8Very low45.6Very low85 Ų85156.1 Ų156.159%0.59481%0.813SS**  trans-68.8132.4179.6-70.50000110.7I203 S207I203-S205 PolarHBondContact O-N 3.21Å; S205-S207 PolarHBondContact O-N 3.06Å
206P52.7Low45.8Very low136 Ų136153.3 Ų153.388%0.88381%0.808SS**THydrogen-bonded Turntrans-72.12.3-175.5-12.727.2000114.8F208P206-F208 PolarHBondContact O-N 3.03Å
207S54.8Low46Very low108 Ų108158.9 Ų158.976%0.75582%0.815SS**THydrogen-bonded Turntrans-83.2-6.4-168.9-178.40000114.6S205S205-S207 PolarHBondContact O-N 3.06Å
208F54.4Low46.3Very low196 Ų196155.9 Ų155.986%0.8681%0.811SS**  trans-113.768.2-176.1-122-90.7000111.2P206P206-F208 PolarHBondContact O-N 3.03Å
209N47.8Very low47Very low161 Ų161155.5 Ų155.586%0.86181%0.808SS**  trans-152.689155.3-114.1-12.9000110.4
210K45.4Very low47.7Very low198 Ų198161.3 Ų161.386%0.86183%0.826SS**  trans-157.2115.7149.2-132170.4-175.3171.90111.8
211R44.4Very low47.4Very low315 Ų315158.4 Ų158.4100%1.18982%0.818SS**  trans83.70170.7-61.4-172.1-163.4173.86.1117.1

Retrieved 211 of 211 residues in 563.6 ms (Link to these results)