A0A2K6C914_MACNE Loading...

Interleukin 17D

AlphaFold DB , UniProt , Accession A0A2K6C914, Species MACNE (Macaca nemestrina, Pig-tailed macaque), Gene IL17D, Length 202 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
1M41.2Very low45.7Very low241 Ų241146.1 Ų146.1100%1.18785%0.852SS**  0100.80-77.2-64.7169.600107.6
2L40.3Very low46Very low165 Ų165144.3 Ų144.386%0.86485%0.848SS**  trans-72.2139.7177-81.589000109.9
3V42.5Very low45.9Very low146 Ų146138.8 Ų138.889%0.88584%0.841SS**  trans-133106.3152.3-173.10000107.4
4A41.8Very low45.9Very low84 Ų84147.6 Ų147.669%0.69485%0.852SS**  trans-84.9117.5174.900000109.1
5G42.9Very low46Very low75 Ų75144.5 Ų144.577%0.77385%0.851SS**  trans-90.5111.8169.700000110.2L7G5-L7 PolarHBondContact O-N 3.46Å
6F43.6Very low46.3Very low194 Ų194141.7 Ų141.785%0.85185%0.849SS**  trans-79.7106.6172.9-113.9-94.8000109.3
7L46.2Very low46.5Very low171 Ų171137.6 Ų137.690%0.89584%0.843SS**  trans-92.4108.4165.6-77.4164.9000108.2G5 A9G5-L7 PolarHBondContact O-N 3.46Å; L7-A9 PolarHBondContact O-N 3.4Å
8L48.2Very low47.1Very low158 Ų158134.8 Ų134.883%0.82784%0.836SS**  trans-72108171.3-76.8161.1000109.1L10L8-L10 PolarHBondContact O-N 3.47Å
9A50.4Low47.3Very low99 Ų99134.3 Ų134.382%0.81883%0.834SS**  trans-76.1114.9168.800000109.7L7L7-A9 PolarHBondContact O-N 3.4Å
10L53.7Low48Very low164 Ų164139.9 Ų139.986%0.85984%0.839SS**PPolyproline II helixtrans-72.6134166-84.9123.3000109.6L8L8-L10 PolarHBondContact O-N 3.47Å
11P52.1Low48.5Very low110 Ų110137.7 Ų137.771%0.71484%0.836SS**PPolyproline II helixtrans-70.3146.4175.428.4-32.6000111.1G13P11-G13 PolarHBondContact O-N 3.26Å
12P49.5Very low49.4Very low124 Ų124129.5 Ų129.581%0.80581%0.813SS**PPolyproline II helixtrans-67.9127.8177.926.9-31.4000110.4W14P12-W14 PolarHBondContact O-N 3.42Å
13G44.6Very low50.5Low74 Ų74133.3 Ų133.376%0.76382%0.816SS**PPolyproline II helixtrans-61.7130.2178.200000112P11 A15P11-G13 PolarHBondContact O-N 3.26Å; G13-A15 PolarHBondContact O-N 3.28Å; G13-A15 VanDerWaalsContact O-N 3.1Å
14W46Very low51.3Low262 Ų262137.1 Ų137.199%0.99282%0.815SS**  trans-68.2103.3165.9-75.3-44.1000109.5P12 A16P12-W14 PolarHBondContact O-N 3.42Å; W14-A16 PolarHBondContact O-N 2.86Å; W14-A16 VanDerWaalsContact O-N 3.08Å
15A47.4Very low51.9Low101 Ų101139.1 Ų139.184%0.83582%0.82SS**  trans-70.598162.900000108.2G13 G17G13-A15 PolarHBondContact O-N 3.28Å; G13-A15 VanDerWaalsContact O-N 3.1Å; A15-G17 PolarHBondContact O-N 3.12Å
16A50.2Low52.9Low99 Ų99139.8 Ų139.882%0.81882%0.819SS**  trans-62.1105.2168.100000108.5W14 A18W14-A16 PolarHBondContact O-N 2.86Å; W14-A16 VanDerWaalsContact O-N 3.08Å; A16-A18 PolarHBondContact O-N 3.18Å
17G49.7Very low53.7Low72 Ų72141.3 Ų141.374%0.74282%0.819SS**PPolyproline II helixtrans-58.8118.6171.300000109.5A15A15-G17 PolarHBondContact O-N 3.12Å
18A57.2Low54.3Low87 Ų87139 Ų13972%0.71982%0.815SS**PPolyproline II helixtrans-56.5133.3172.800000109.4A16 R20A16-A18 PolarHBondContact O-N 3.18Å; A18-R20 PolarHBondContact O-N 3.01Å; A18-R20 VanDerWaalsContact O-N 3.12Å
19P51.9Low55.3Low125 Ų125142.8 Ų142.881%0.81282%0.818SS**PPolyproline II helixtrans-63.2121.8175.625.9-30.6000107.6A21P19-A21 PolarHBondContact O-N 3.1Å
20R60Low56.6Low247 Ų247141.4 Ų141.493%0.93281%0.813SS**  trans-56.4108168.7-83.6179.6172.4174.1-1.8107A18 G22A18-R20 PolarHBondContact O-N 3.01Å; A18-R20 VanDerWaalsContact O-N 3.12Å; R20-G22 VanDerWaalsContact C-N 3.35Å; R20-G22 PolarHBondContact O-N 3.08Å
21A59.9Low58.3Low94 Ų94135.7 Ų135.778%0.77779%0.786SS**  trans-57.2102.6168.700000107.4P19 R23P19-A21 PolarHBondContact O-N 3.1Å; A21-R23 PolarHBondContact O-N 2.9Å
22G58.8Low60.1Low68 Ų68132.6 Ų132.670%0.70177%0.77SS**  trans-54.6115.1171.400000107.5R20 R24R20-G22 VanDerWaalsContact C-N 3.35Å; R20-G22 PolarHBondContact O-N 3.08Å; G22-R24 PolarHBondContact O-N 3.02Å
23R64.2Low62Low246 Ų246128.9 Ų128.993%0.92874%0.744SS**  trans-56.5108.1170.9-84-178.7173.2177.3-1.6106.5A21A21-R23 PolarHBondContact O-N 2.9Å
24R58.9Low64.3Low225 Ų225129.5 Ų129.585%0.84972%0.723SS**PPolyproline II helixtrans-51.2130.9166.1-74.3-179.6175.7176.9-1.5106.6G22 A26G22-R24 PolarHBondContact O-N 3.02Å; R24-A26 PolarHBondContact O-N 2.9Å
25P54.9Low66.5Low126 Ų126119.8 Ų119.882%0.81869%0.693SS**PPolyproline II helixtrans-54121.5175.620.4-29.8000107.5R27P25-R27 PolarHBondContact O-N 3.03Å
26A62.7Low68.5Low90 Ų90118.7 Ų118.774%0.74467%0.671SS**PPolyproline II helixtrans-58.2117.4177.100000106.7R24R24-A26 PolarHBondContact O-N 2.9Å
27R60.7Low70.4Confident225 Ų225120.2 Ų120.285%0.84966%0.661SS**  trans-45.1133.7168.9-111.3177.1176.4167.3-1.5107.2P25 R29P25-R27 PolarHBondContact O-N 3.03Å; R27-R29 PolarHBondContact O-N 3.03Å
28P58.5Low72.4Confident124 Ų124119.6 Ų119.681%0.80564%0.64SS**  trans-52.2115.7174.919.8-29.2000106.9G30P28-G30 PolarHBondContact O-N 2.89Å
29R70.3Confident74.1Confident237 Ų237115.5 Ų115.589%0.89461%0.606SS**  trans-64113.3179.2-75.3-179.9173.4153.7-3.2105.4R27R27-R29 PolarHBondContact O-N 3.03Å
30G78Confident75.9Confident69 Ų69114.2 Ų114.271%0.71159%0.59SS**PPolyproline II helixtrans-55.1155.6170.600000109.9P28P28-G30 PolarHBondContact O-N 2.89Å
31C89.1Confident77.4Confident44 Ų44107.5 Ų107.530%0.29757%0.569SS.*PPolyproline II helixtrans-69.8138.7-178.1-55.70000109.8C149C31-C149 HydrophobicContact CB-CB 3.86Å; C31-C149 WeakPolarHBondContact CB-SG 3.36Å; C31-C149 WeakPolarHBondContact SG-CB 3.14Å; C31-C149 CovalentContact SG-SG 1.98Å; C31-C149 PolarHBondContact SG-SG 2.96Å
32A90.6Very high78.8Confident46 Ų46106.5 Ų106.538%0.3855%0.55SS.*BIsolated β-bridgetrans-71.7142.2178.100000109.1G152 R153 S154A32-G152 PolarHBondContact N-O 3.23Å; A32-R153 CarbonylContact O-C 3.56Å; A32-R153 VanDerWaalsContact O-CA 3.25Å; A32-R153 WeakPolarHBondContact O-CA 3.42Å; A32-S154 PolarHBondContact O-N 3.3Å; A32-S154 PolarHBondContact O-OG 3.48Å
33D89.4Confident80.3Confident46 Ų46105 Ų10525%0.24652%0.524CS..PPolyproline II helixtrans-59.2151.2172.4-82.1-14.5000110.4R107 R145 R153 Y156D33-R107 IonicContact OD2-CZ 2.89Å; D33-R107 IonicContact OD2-NH1 2.87Å; D33-R107 PolarHBondContact OD2-NH1 2.91Å; D33-R107 IonicContact OD2-NH2 3.75Å; D33-R107 PolarHBondContact OD2-NH2 3.26Å; D33-R145 WeakPolarHBondContact OD1-CD 3.25Å; D33-R145 IonicContact OD1-CZ 3.77Å; D33-R145 IonicContact OD1-NH1 2.76Å; D33-R145 PolarHBondContact OD1-NH1 2.03Å; D33-R145 IonicContact OD2-NH1 3.41Å; D33-R145 PolarHBondContact OD2-NH1 2.68Å; D33-R153 WeakPolarHBondContact O-CD 3.44Å; D33-R153 PolarHBondContact O-NH1 3.32Å; D33-Y156 PolarHBondContact OD1-OH 2.86Å
34R91.1Very high81.3Confident86 Ų8695.1 Ų95.133%0.32550%0.498SS..PPolyproline II helixtrans-66.2149171.2-76.6-89.4177.5178-0.7109.1L39 R153 S154 Y156R34-L39 HydrophobicContact CB-CD1 4.38Å; R34-L39 HydrophobicContact CB-CD2 4.15Å; R34-L39 HydrophobicContact CB-CG 4.11Å; R34-R153 HydrophobicContact CG-CB 4.3Å; R34-S154 VanDerWaalsContact CG-O 3.22Å; R34-S154 WeakPolarHBondContact CG-O 3.21Å; R34-Y156 HydrophobicContact CB-CD2 4.46Å; R34-Y156 HydrophobicContact CB-CE2 4.09Å; R34-Y156 HydrophobicContact CG-CD2 4.13Å; R34-Y156 HydrophobicContact CG-CE2 4.09Å
35P92.6Very high82.6Confident58 Ų5892.6 Ų92.638%0.37749%0.489SS..PPolyproline II helixtrans-53.3139.8170.7-23.133.4000111E37 L38 L39P35-E37 VanDerWaalsContact C-N 3.26Å; P35-E37 WeakPolarHBondContact CB-OE2 3.39Å; P35-E37 PolarHBondContact O-N 3.03Å; P35-L38 PolarHBondContact O-N 2.83Å; P35-L39 PolarHBondContact O-N 3.34Å
36E89.3Confident84Confident79 Ų7989.4 Ų89.437%0.36947%0.465SS..Hα-helixtrans-61.4-37.8-175-164.3103.6-163.300110.5L38 L39 E40 Y105E36-L38 VanDerWaalsContact C-N 3.26Å; E36-L38 PolarHBondContact O-N 3.31Å; E36-L39 CarbonylContact O-C 3.54Å; E36-L39 WeakPolarHBondContact O-CA 3.48Å; E36-L39 WeakPolarHBondContact O-CB 3.01Å; E36-L39 PolarHBondContact O-N 1.98Å; E36-E40 WeakPolarHBondContact O-CG 3.38Å; E36-E40 PolarHBondContact O-N 2.82Å; E36-Y105 HydrophobicContact CG-CE2 3.98Å; E36-Y105 VanDerWaalsContact OE1-CE2 3.31Å; E36-Y105 WeakPolarHBondContact OE1-CE2 3.38Å
37E90.9Very high84.7Confident130 Ų13085.6 Ų85.661%0.60743%0.433SS*.Hα-helixtrans-63.1-33.8-178.6-53.878.8-173.600111.9P35 E40 Q41P35-E37 VanDerWaalsContact C-N 3.26Å; P35-E37 WeakPolarHBondContact CB-OE2 3.39Å; P35-E37 PolarHBondContact O-N 3.03Å; E37-E40 WeakPolarHBondContact O-CB 2.91Å; E37-Q41 WeakPolarHBondContact O-CB 3.24Å; E37-Q41 PolarHBondContact O-N 3.46Å
38L91.8Very high84.9Confident59 Ų5978.5 Ų78.531%0.30942%0.422SS..Hα-helixtrans-75.4-36176.4-176.161.9000111.2P35 E36 Q41 L42P35-L38 PolarHBondContact O-N 2.83Å; E36-L38 VanDerWaalsContact C-N 3.26Å; E36-L38 PolarHBondContact O-N 3.31Å; L38-Q41 PolarHBondContact O-N 2.94Å; L38-L42 VanDerWaalsContact O-CG 3.31Å; L38-L42 WeakPolarHBondContact O-CG 3.49Å; L38-L42 PolarHBondContact O-N 2.82Å
39L91.9Very high84.9Confident1 Ų176.4 Ų76.41%0.00542%0.424CS..Hα-helixtrans-67.3-40.4173.9-65.8173.3000110.9R34 P35 E36 Q41 L42 Y43 Y105 L143 Y156R34-L39 HydrophobicContact CB-CD1 4.38Å; R34-L39 HydrophobicContact CB-CD2 4.15Å; R34-L39 HydrophobicContact CB-CG 4.11Å; P35-L39 PolarHBondContact O-N 3.34Å; E36-L39 CarbonylContact O-C 3.54Å; E36-L39 WeakPolarHBondContact O-CA 3.48Å; E36-L39 WeakPolarHBondContact O-CB 3.01Å; E36-L39 PolarHBondContact O-N 1.98Å; L39-Q41 VanDerWaalsContact C-N 3.34Å; L39-Q41 PolarHBondContact O-N 2.91Å; L39-L42 PolarHBondContact O-N 3.1Å; L39-Y43 WeakPolarHBondContact O-CB 3.39Å; L39-Y43 PolarHBondContact O-N 3.31Å; L39-Y105 HydrophobicContact CB-CD1 3.94Å; L39-Y105 HydrophobicContact CB-CD2 3.64Å; L39-Y105 HydrophobicContact CB-CE1 4.28Å; L39-Y105 HydrophobicContact CB-CE2 3.97Å; L39-Y105 HydrophobicContact CB-CG 3.66Å; L39-Y105 HydrophobicContact CD1-CD2 3.87Å; L39-Y105 HydrophobicContact CD1-CG 4.16Å; L39-Y105 HydrophobicContact CG-CD2 4.39Å; L39-Y105 HydrophobicContact CG-CG 4.43Å; L39-L143 HydrophobicContact CB-CD1 4.48Å; L39-L143 HydrophobicContact CD2-CD1 4.13Å; L39-Y156 HydrophobicContact CD1-CE1 4.19Å; L39-Y156 HydrophobicContact CD1-CE2 4.3Å; L39-Y156 HydrophobicContact CD2-CD1 3.89Å; L39-Y156 HydrophobicContact CD2-CD2 3.69Å; L39-Y156 HydrophobicContact CD2-CE1 4.09Å; L39-Y156 HydrophobicContact CD2-CE2 3.91Å; L39-Y156 HydrophobicContact CD2-CG 3.68Å
40E90.5Very high84.3Confident99 Ų9969.7 Ų69.746%0.46341%0.409SS..Hα-helixtrans-55.3-48171.2-80.7173.2-172.800111.5E36 E37 Y43 G44 Y105E36-E40 WeakPolarHBondContact O-CG 3.38Å; E36-E40 PolarHBondContact O-N 2.82Å; E37-E40 WeakPolarHBondContact O-CB 2.91Å; E40-Y43 PolarHBondContact O-N 3.36Å; E40-G44 PolarHBondContact O-N 3.29Å; E40-Y105 HydrophobicContact CG-CE1 4.45Å; E40-Y105 HydrophobicContact CG-CE2 4.28Å; E40-Y105 WeakPolarHBondContact CG-OH 3.41Å
41Q90.6Very high83.2Confident106 Ų10667 Ų6750%0.49538%0.378SS..Hα-helixtrans-64.8-43179-170.1-179.212.100112.4E37 L38 L39 R45E37-Q41 WeakPolarHBondContact O-CB 3.24Å; E37-Q41 PolarHBondContact O-N 3.46Å; L38-Q41 PolarHBondContact O-N 2.94Å; L39-Q41 VanDerWaalsContact C-N 3.34Å; L39-Q41 PolarHBondContact O-N 2.91Å; Q41-R45 WeakPolarHBondContact O-CG 3.44Å; Q41-R45 PolarHBondContact O-N 3.41Å
42L90Very high81.4Confident72 Ų7269.9 Ų69.938%0.37740%0.399SS..Hα-helixtrans-64.3-46.8176.6-73.5170.8000111.2L38 L39 R45 L46 L143L38-L42 VanDerWaalsContact O-CG 3.31Å; L38-L42 WeakPolarHBondContact O-CG 3.49Å; L38-L42 PolarHBondContact O-N 2.82Å; L39-L42 PolarHBondContact O-N 3.1Å; L42-R45 PolarHBondContact O-N 3.07Å; L42-L46 WeakPolarHBondContact O-CG 3.22Å; L42-L46 PolarHBondContact O-N 2.76Å; L42-L143 HydrophobicContact CB-CD1 3.74Å
43Y89.8Confident79.4Confident37 Ų3771.3 Ų71.315%0.14541%0.41CS..Hα-helixtrans-63.5-43.9178.1177.2-98.6000111.6L39 E40 R45 L46 A47 Y105 V141L39-Y43 WeakPolarHBondContact O-CB 3.39Å; L39-Y43 PolarHBondContact O-N 3.31Å; E40-Y43 PolarHBondContact O-N 3.36Å; Y43-R45 PolarHBondContact O-N 2.87Å; Y43-L46 PolarHBondContact O-N 3.03Å; Y43-A47 HydrophobicContact CD1-CB 4.17Å; Y43-A47 HydrophobicContact CE1-CB 3.73Å; Y43-A47 HydrophobicContact CE2-CB 4.28Å; Y43-A47 VanDerWaalsContact O-CB 3.29Å; Y43-A47 WeakPolarHBondContact O-CB 3.25Å; Y43-A47 PolarHBondContact O-N 2.62Å; Y43-Y105 HydrophobicContact CD1-CE1 4.22Å; Y43-Y105 HydrophobicContact CD2-CD1 4.4Å; Y43-Y105 HydrophobicContact CG-CD1 4.13Å; Y43-Y105 AromaticContact CG-CE1 3.85Å; Y43-Y105 HydrophobicContact CG-CE1 3.85Å; Y43-V141 HydrophobicContact CE2-CG1 4.19Å; Y43-V141 WeakPolarHBondContact CE2-O 3.29Å
44G86.3Confident77.7Confident39 Ų3971.1 Ų71.140%0.40241%0.407SS..Hα-helixtrans-59.1-34.6179.200000112.9E40 A48E40-G44 PolarHBondContact O-N 3.29Å; G44-A48 WeakPolarHBondContact O-CB 3.48Å; G44-A48 PolarHBondContact O-N 2.86Å; G44-A48 VanDerWaalsContact O-N 3.15Å
45R86.1Confident75.9Confident172 Ų17272.6 Ų72.665%0.64942%0.418SS*.Hα-helixtrans-68.9-37.9173.4-69.7173.5-179-176.71.1112.9Q41 L42 Y43Q41-R45 WeakPolarHBondContact O-CG 3.44Å; Q41-R45 PolarHBondContact O-N 3.41Å; L42-R45 PolarHBondContact O-N 3.07Å; Y43-R45 PolarHBondContact O-N 2.87Å
46L83Confident74Confident59 Ų5976.2 Ų76.231%0.30943%0.429SS..Hα-helixtrans-76.5-37.9179.2-66.7172.5000112.6L42 Y43 A48 V141 L143 E158L42-L46 WeakPolarHBondContact O-CG 3.22Å; L42-L46 PolarHBondContact O-N 2.76Å; Y43-L46 PolarHBondContact O-N 3.03Å; L46-A48 VanDerWaalsContact C-N 3.33Å; L46-V141 HydrophobicContact CB-CG1 4.33Å; L46-V141 HydrophobicContact CB-CG2 4.06Å; L46-V141 HydrophobicContact CD1-CG2 4.26Å; L46-L143 HydrophobicContact CD1-CD2 3.51Å; L46-L143 HydrophobicContact CD1-CG 4.36Å; L46-E158 HydrophobicContact CD1-CB 4.14Å; L46-E158 HydrophobicContact CD1-CG 4.09Å; L46-E158 HydrophobicContact CD2-CG 4.38Å; L46-E158 WeakPolarHBondContact CD2-OE2 2.96Å
47A77.4Confident72.2Confident10 Ų1073.6 Ų73.68%0.08342%0.419CS..Hα-helixtrans-83.6-9.5-177.500000113.3Y43 G49 V50 L51 V141Y43-A47 HydrophobicContact CD1-CB 4.17Å; Y43-A47 HydrophobicContact CE1-CB 3.73Å; Y43-A47 HydrophobicContact CE2-CB 4.28Å; Y43-A47 VanDerWaalsContact O-CB 3.29Å; Y43-A47 WeakPolarHBondContact O-CB 3.25Å; Y43-A47 PolarHBondContact O-N 2.62Å; A47-G49 PolarHBondContact O-N 2.82Å; A47-V50 PolarHBondContact O-N 2.8Å; A47-L51 HydrophobicContact CB-CB 4.25Å; A47-L51 PolarHBondContact O-N 3.01Å; A47-V141 HydrophobicContact CB-CG1 4.22Å
48A65.5Low70.3Confident75 Ų7571.4 Ų71.462%0.6241%0.411SS*.THydrogen-bonded Turntrans-58.7110.1175.600000109.9G44 L46G44-A48 WeakPolarHBondContact O-CB 3.48Å; G44-A48 PolarHBondContact O-N 2.86Å; G44-A48 VanDerWaalsContact O-N 3.15Å; L46-A48 VanDerWaalsContact C-N 3.33Å
49G59.6Low68.3Low81 Ų8175 Ų7584%0.83543%0.426SS*.THydrogen-bonded Turntrans109.1-21.1178.700000115.6A47A47-G49 PolarHBondContact O-N 2.82Å
50V56.3Low66.5Low95 Ų9578.7 Ų78.758%0.57645%0.446SS*.THydrogen-bonded Turntrans-119.1-26.3-172.5-1760000113.7A47A47-V50 PolarHBondContact O-N 2.8Å
51L55.2Low64.6Low14 Ų1476.6 Ų76.67%0.07345%0.451CS..SBendtrans-131.59.1-167.9-84.5129.5000116.7A47 A53 F54 T140 V141A47-L51 HydrophobicContact CB-CB 4.25Å; A47-L51 PolarHBondContact O-N 3.01Å; L51-A53 PolarHBondContact O-N 2.86Å; L51-A53 VanDerWaalsContact O-N 3.08Å; L51-F54 HydrophobicContact CD2-CB 4.22Å; L51-F54 HydrophobicContact CD2-CD2 3.67Å; L51-F54 HydrophobicContact CD2-CE2 4.45Å; L51-F54 HydrophobicContact CD2-CG 4.22Å; L51-F54 HydrophobicContact CG-CD2 4.23Å; L51-F54 PolarHBondContact O-N 2.77Å; L51-F54 VanDerWaalsContact O-N 3.08Å; L51-T140 HydrophobicContact CD1-CG2 4.03Å; L51-T140 HydrophobicContact CD2-CG2 3.68Å; L51-V141 HydrophobicContact CD1-CG1 3.89Å
52S51.7Low62.8Low104 Ų10476.5 Ų76.573%0.72746%0.459SS*.THydrogen-bonded Turntrans-59.6-22.8173.1-157.30000112.5F54S52-F54 VanDerWaalsContact C-N 3.35Å; S52-F54 PolarHBondContact O-N 2.86Å
53A48.7Very low61Low76 Ų7680.7 Ų80.763%0.62847%0.47SS*.THydrogen-bonded Turntrans-70.7-23.6177.500000114.3L51L51-A53 PolarHBondContact O-N 2.86Å; L51-A53 VanDerWaalsContact O-N 3.08Å
54F53.2Low59Low41 Ų4186.5 Ų86.518%0.1850%0.498CS..THydrogen-bonded Turntrans-96.1-7.9-175.2-67.8-77.8000113.9L51 S52 H56 T57 L58 M138 V165L51-F54 HydrophobicContact CD2-CB 4.22Å; L51-F54 HydrophobicContact CD2-CD2 3.67Å; L51-F54 HydrophobicContact CD2-CE2 4.45Å; L51-F54 HydrophobicContact CD2-CG 4.22Å; L51-F54 HydrophobicContact CG-CD2 4.23Å; L51-F54 PolarHBondContact O-N 2.77Å; L51-F54 VanDerWaalsContact O-N 3.08Å; S52-F54 VanDerWaalsContact C-N 3.35Å; S52-F54 PolarHBondContact O-N 2.86Å; F54-H56 PolarHBondContact O-N 2.78Å; F54-T57 HydrophobicContact CD1-CG2 4.36Å; F54-T57 PolarHBondContact O-N 3.17Å; F54-T57 PolarHBondContact O-OG1 3.36Å; F54-L58 PolarHBondContact O-N 2.62Å; F54-M138 HydrophobicContact CE2-CE 4.38Å; F54-M138 HydrophobicContact CE2-SD 3.51Å; F54-M138 VanDerWaalsContact CE2-SD 3.51Å; F54-M138 HydrophobicContact CZ-CE 4.17Å; F54-M138 HydrophobicContact CZ-SD 3.7Å; F54-V165 HydrophobicContact CD1-CG1 4.48Å; F54-V165 HydrophobicContact CE1-CB 3.74Å; F54-V165 HydrophobicContact CE1-CG1 3.56Å; F54-V165 HydrophobicContact CZ-CB 3.97Å; F54-V165 HydrophobicContact CZ-CG1 3.58Å
55H53.3Low57.3Low118 Ų11892.2 Ų92.255%0.54651%0.514SS..G310 helixtrans-61.4-31-179.5-14291.4000112.1T57 L58H55-T57 VanDerWaalsContact C-N 3.35Å; H55-L58 WeakPolarHBondContact O-CB 3.13Å; H55-L58 PolarHBondContact O-N 3.36Å
56H51.9Low55.8Low133 Ų13385.3 Ų85.362%0.61650%0.495SS*.G310 helixtrans-72.5-23.7174-63.6-66.3000113.8F54 L58 Q59F54-H56 PolarHBondContact O-N 2.78Å; H56-L58 VanDerWaalsContact C-N 3.26Å; H56-L58 PolarHBondContact O-N 3.28Å; H56-Q59 WeakPolarHBondContact O-CB 3.5Å; H56-Q59 PolarHBondContact O-N 2.88Å
57T52.5Low54.5Low25 Ų2592.6 Ų92.615%0.15352%0.518CS..G310 helixtrans-77.8-11.7173.666.90000113F54 H55 Q59 L60F54-T57 HydrophobicContact CD1-CG2 4.36Å; F54-T57 PolarHBondContact O-N 3.17Å; F54-T57 PolarHBondContact O-OG1 3.36Å; H55-T57 VanDerWaalsContact C-N 3.35Å; T57-Q59 VanDerWaalsContact C-N 3.32Å; T57-L60 WeakPolarHBondContact O-CD1 3.43Å; T57-L60 WeakPolarHBondContact O-CG 3.47Å
58L50.2Low53.9Low84 Ų8499 Ų9944%0.4455%0.551SS.*G310 helixtrans-82-14.8168.6-65.7169.7000112.1F54 H55 H56 L60 P110F54-L58 PolarHBondContact O-N 2.62Å; H55-L58 WeakPolarHBondContact O-CB 3.13Å; H55-L58 PolarHBondContact O-N 3.36Å; H56-L58 VanDerWaalsContact C-N 3.26Å; H56-L58 PolarHBondContact O-N 3.28Å; L58-L60 PolarHBondContact O-N 2.87Å; L58-P110 HydrophobicContact CD2-CG 3.98Å
59Q51.6Low54.4Low133 Ų13397 Ų9762%0.62154%0.535SS*.G310 helixtrans-89.422.6176.4-59.6176.9-9.300112.4H56 T57 G61H56-Q59 WeakPolarHBondContact O-CB 3.5Å; H56-Q59 PolarHBondContact O-N 2.88Å; T57-Q59 VanDerWaalsContact C-N 3.32Å; Q59-G61 PolarHBondContact O-N 2.88Å
60L52.6Low55.7Low80 Ų8097.5 Ų97.542%0.41953%0.525SS..  trans-61.8110.5176.9-70166.1000109T57 L58 Y96T57-L60 WeakPolarHBondContact O-CD1 3.43Å; T57-L60 WeakPolarHBondContact O-CG 3.47Å; L58-L60 PolarHBondContact O-N 2.87Å; L60-Y96 HydrophobicContact CD1-CD2 3.54Å; L60-Y96 HydrophobicContact CD1-CE2 4.39Å; L60-Y96 HydrophobicContact CD1-CG 3.7Å; L60-Y96 HydrophobicContact CD2-CD2 4.18Å
61G51.5Low57.3Low55 Ų5594.5 Ų94.557%0.56751%0.508SS*.SBendtrans-56.1176.9164.300000112.3Q59Q59-G61 PolarHBondContact O-N 2.88Å
62P52.2Low58.8Low104 Ų10496.6 Ų96.668%0.67552%0.522SS*.  trans-41.6125.3-132.5-25.931.1000115.2E64 Q65P62-E64 PolarHBondContact O-N 3.38Å; P62-Q65 PolarHBondContact O-N 2.79Å
63R52Low60.2Low160 Ų16093.4 Ų93.460%0.60450%0.502SS*.Hα-helixtrans-46.8-16.3177.1-66.6171.487.5103.1-6.3115
64E48.3Very low61.2Low158 Ų15891.6 Ų91.674%0.73849%0.491SS*.Hα-helixtrans-83.3-30.2-179.3-55-149.5144.100113.4P62 A66 R67P62-E64 PolarHBondContact O-N 3.38Å; E64-A66 VanDerWaalsContact C-N 3.33Å; E64-A66 PolarHBondContact O-N 3.02Å; E64-R67 PolarHBondContact O-N 2.89Å
65Q51.1Low61.9Low159 Ų15992 Ų9274%0.74351%0.506SS*.Hα-helixtrans-70.4-31-176.9-159.572.347.200112.3P62P62-Q65 PolarHBondContact O-N 2.79Å
66A53.9Low62.2Low28 Ų2897.6 Ų97.623%0.23152%0.522CS..Hα-helixtrans-73.8-42.217900000112E64 N68 A69 Y96 Y113E64-A66 VanDerWaalsContact C-N 3.33Å; E64-A66 PolarHBondContact O-N 3.02Å; A66-N68 PolarHBondContact O-N 2.89Å; A66-A69 WeakPolarHBondContact O-CB 3.47Å; A66-A69 PolarHBondContact O-N 3.32Å; A66-A69 VanDerWaalsContact O-N 3.09Å; A66-Y96 WeakPolarHBondContact CB-O 3.48Å; A66-Y113 PolarHBondContact O-OH 2.76Å
67R55.5Low62.5Low212 Ų21297.3 Ų97.380%0.853%0.532SS*.Hα-helixtrans-61.1-22.8-174.1-75.1-176.8162.9-167.5-5.8114.4E64E64-R67 PolarHBondContact O-N 2.89Å
68N65.7Low62.8Low144 Ų14499 Ų9977%0.7755%0.549SS*.THydrogen-bonded Turntrans-113.513.9-178.9-62.9-17.7000113.3A66 S70A66-N68 PolarHBondContact O-N 2.89Å; N68-S70 PolarHBondContact O-N 3.03Å
69A76.1Confident63.3Low34 Ų3499.4 Ų99.428%0.28155%0.552SS.*  trans-70.6121.8176.800000110.1A66 A95 L115A66-A69 WeakPolarHBondContact O-CB 3.47Å; A66-A69 PolarHBondContact O-N 3.32Å; A66-A69 VanDerWaalsContact O-N 3.09Å; A69-A95 HydrophobicContact CB-CB 3.95Å; A69-L115 HydrophobicContact CB-CD1 4.14Å; A69-L115 HydrophobicContact CB-CD2 3.67Å; A69-L115 WeakPolarHBondContact O-CD2 3.13Å
70S86.2Confident63.8Low91 Ų91105 Ų10564%0.63657%0.567SS**  trans-105.7166.4173.957.80000111N68 P72N68-S70 PolarHBondContact O-N 3.03Å; S70-P72 WeakPolarHBondContact O-CD 3.27Å
71C89.8Confident64.6Low32 Ų32111.6 Ų111.622%0.21659%0.586CS.*  trans-58124.1170.6-1760000109.8A73 L115 C116C71-A73 PolarHBondContact O-N 3.46Å; C71-A73 VanDerWaalsContact O-N 3.11Å; C71-L115 WeakPolarHBondContact CB-O 3.4Å; C71-C116 VanDerWaalsContact CA-SG 3.56Å; C71-C116 HydrophobicContact CB-CB 3.97Å; C71-C116 WeakPolarHBondContact CB-SG 3.36Å; C71-C116 WeakPolarHBondContact SG-CB 3.33Å; C71-C116 CovalentContact SG-SG 2.04Å; C71-C116 PolarHBondContact SG-SG 3.41Å
72P87.4Confident65.6Low58 Ų58115.2 Ų115.238%0.37759%0.587SS.*  trans-82.225.4-178.934.4-35000113.1S70 G74 G75 P93 L120S70-P72 WeakPolarHBondContact O-CD 3.27Å; P72-G74 PolarHBondContact O-N 2.81Å; P72-G75 PolarHBondContact O-N 2.78Å; P72-G75 VanDerWaalsContact O-N 3.13Å; P72-P93 HydrophobicContact CG-CG 4.15Å; P72-L120 HydrophobicContact CG-CD1 3.88Å
73A81.4Confident66.8Low37 Ų37120.6 Ų120.631%0.30659%0.594SS.*THydrogen-bonded Turntrans-57.8132.5-178.200000111.5C71 G75 L120 E127C71-A73 PolarHBondContact O-N 3.46Å; C71-A73 VanDerWaalsContact O-N 3.11Å; A73-G75 PolarHBondContact O-N 3.45Å; A73-G75 VanDerWaalsContact O-N 3.08Å; A73-L120 HydrophobicContact CB-CD2 3.94Å; A73-E127 HydrophobicContact CB-CB 3.95Å
74G69.9Low68Low38 Ų38114.7 Ų114.739%0.39258%0.576SS.*THydrogen-bonded Turntrans62.115.1-179.500000114.5P72 G125 E126P72-G74 PolarHBondContact O-N 2.81Å; G74-G125 PolarHBondContact N-O 3.06Å; G74-E126 VanDerWaalsContact CA-OE1 3.27Å; G74-E126 WeakPolarHBondContact CA-OE1 3.48Å
75G66.2Low69.7Low48 Ų48110.2 Ų110.250%0.49556%0.56SS.*PPolyproline II helixtrans-64.7140.9-177.900000112.6P72 A73P72-G75 PolarHBondContact O-N 2.78Å; P72-G75 VanDerWaalsContact O-N 3.13Å; A73-G75 PolarHBondContact O-N 3.45Å; A73-G75 VanDerWaalsContact O-N 3.08Å
76R60.2Low71.4Confident236 Ų236107.6 Ų107.689%0.89156%0.555SS**PPolyproline II helixtrans-56.1145.8173.9-69178.281.3152.53.6109.9A78R76-A78 PolarHBondContact O-N 3.38Å; R76-A78 VanDerWaalsContact O-N 3.11Å
77P57.3Low73.1Confident127 Ų127107.6 Ų107.683%0.82555%0.551SS**PPolyproline II helixtrans-52.3124.5177.519.3-30.5000109.4
78A60.3Low74.6Confident60 Ų60100.7 Ų100.750%0.49653%0.53SS..PPolyproline II helixtrans-50.9146.1174.700000109.6R76 R80R76-A78 PolarHBondContact O-N 3.38Å; R76-A78 VanDerWaalsContact O-N 3.11Å; A78-R80 PolarHBondContact O-N 3.32Å; A78-R80 VanDerWaalsContact O-N 3.08Å
79D60.3Low75.6Confident94 Ų94102 Ų10250%0.50352%0.524SS..PPolyproline II helixtrans-47124.3169.9-178.2-1.3000107.8R81 F82D79-R81 PolarHBondContact O-N 3.01Å; D79-R81 PolarHBondContact OD1-N 2.82Å; D79-R81 IonicContact OD1-NE 3.39Å; D79-R81 IonicContact OD2-NE 3.7Å; D79-R81 PolarHBondContact OD2-NE 3.48Å; D79-R81 IonicContact OD2-NH2 2.68Å; D79-F82 PolarHBondContact O-N 3.05Å
80R61.7Low76.4Confident250 Ų250101.8 Ų101.894%0.94352%0.521SS*.THydrogen-bonded Turntrans-55.3-15.3-175.4-78.7-179.5164.3-176.6-4.2112.9A78A78-R80 PolarHBondContact O-N 3.32Å; A78-R80 VanDerWaalsContact O-N 3.08Å
81R68.6Low76.8Confident218 Ų218101 Ų10182%0.82351%0.512SS*.THydrogen-bonded Turntrans-78.9-23.2175-72.2-178.6-87.4-126.4-0.2114.8D79D79-R81 PolarHBondContact O-N 3.01Å; D79-R81 PolarHBondContact OD1-N 2.82Å; D79-R81 IonicContact OD1-NE 3.39Å; D79-R81 IonicContact OD2-NE 3.7Å; D79-R81 PolarHBondContact OD2-NE 3.48Å; D79-R81 IonicContact OD2-NH2 2.68Å
82F73.8Confident77.1Confident132 Ų13299.6 Ų99.658%0.57950%0.502SS*.  trans-101.7112.8179.3-174.9-106.5000110.3D79 P84D79-F82 PolarHBondContact O-N 3.05Å; F82-P84 HydrophobicContact CD1-CB 4.36Å; F82-P84 HydrophobicContact CE1-CB 3.91Å; F82-P84 WeakPolarHBondContact O-CD 3.49Å
83R77.1Confident77.4Confident217 Ų21796.8 Ų96.882%0.81948%0.484SS*.  trans-90.4105168.1-73.9-162.2-174.1-161.74108.9
84P78.1Confident78Confident35 Ų3596.8 Ų96.823%0.22748%0.476CS..  trans-61.9151.7177.118.8-26.6000111.3F82 L88 R89F82-P84 HydrophobicContact CD1-CB 4.36Å; F82-P84 HydrophobicContact CE1-CB 3.91Å; F82-P84 WeakPolarHBondContact O-CD 3.49Å; P84-L88 HydrophobicContact CB-CB 4.06Å; P84-L88 HydrophobicContact CB-CD1 4.47Å; P84-R89 HydrophobicContact CB-CG 4.2Å; P84-R89 HydrophobicContact CG-CG 3.7Å; P84-R89 WeakPolarHBondContact O-CD 3.46Å
85P83.5Confident79.1Confident64 Ų6495.2 Ų95.242%0.41646%0.46SS..  trans-63.7161.5175.729.8-37.5000111.7N87 L88 R89P85-N87 VanDerWaalsContact CB-OD1 3.26Å; P85-N87 WeakPolarHBondContact CB-OD1 3.36Å; P85-N87 VanDerWaalsContact CG-OD1 3.23Å; P85-N87 WeakPolarHBondContact CG-OD1 3.31Å; P85-N87 PolarHBondContact O-N 3.27Å; P85-N87 VanDerWaalsContact O-N 3.14Å; P85-L88 HydrophobicContact CG-CD1 4.19Å; P85-L88 HydrophobicContact CG-CG 4.22Å; P85-L88 PolarHBondContact O-N 3.23Å; P85-R89 PolarHBondContact O-N 2.93Å
86T86.2Confident80.1Confident104 Ų10494.3 Ų94.364%0.63844%0.442SS*.Hα-helixtrans-52.4-39.4-174.7-56.90000113.3L88 R89 S90T86-L88 PolarHBondContact O-N 3.32Å; T86-R89 PolarHBondContact O-N 3.42Å; T86-R89 VanDerWaalsContact O-N 3.09Å; T86-S90 PolarHBondContact O-N 3Å
87N89.3Confident81.5Confident28 Ų2889.6 Ų89.615%0.1542%0.424CS..Hα-helixtrans-62.8-27.1-179.463.7-68.1000113.8P85 P93 W94P85-N87 VanDerWaalsContact CB-OD1 3.26Å; P85-N87 WeakPolarHBondContact CB-OD1 3.36Å; P85-N87 VanDerWaalsContact CG-OD1 3.23Å; P85-N87 WeakPolarHBondContact CG-OD1 3.31Å; P85-N87 PolarHBondContact O-N 3.27Å; P85-N87 VanDerWaalsContact O-N 3.14Å; N87-P93 WeakPolarHBondContact O-CA 3.49Å; N87-P93 WeakPolarHBondContact O-CB 3.09Å; N87-W94 HydrophobicContact CB-CD2 3.65Å; N87-W94 HydrophobicContact CB-CE3 4.24Å; N87-W94 HydrophobicContact CB-CG 4.05Å; N87-W94 HydrophobicContact CB-CH2 4.24Å; N87-W94 HydrophobicContact CB-CZ2 3.64Å; N87-W94 PolarHBondContact ND2-O 2.91Å; N87-W94 PolarHBondContact O-N 3.36Å
88L87.6Confident82.9Confident68 Ų6886.6 Ų86.636%0.35640%0.4SS..Hα-helixtrans-93.4-14.7175.9-61.9-176000113P84 P85 T86 L115P84-L88 HydrophobicContact CB-CB 4.06Å; P84-L88 HydrophobicContact CB-CD1 4.47Å; P85-L88 HydrophobicContact CG-CD1 4.19Å; P85-L88 HydrophobicContact CG-CG 4.22Å; P85-L88 PolarHBondContact O-N 3.23Å; T86-L88 PolarHBondContact O-N 3.32Å; L88-L115 HydrophobicContact CD2-CD1 3.86Å
89R87.1Confident84.2Confident171 Ų17185.2 Ų85.265%0.64539%0.387SS*.Hα-helixtrans-93.4-9.3176.4-69.6177.459-145.4-4.7113.6P84 P85 T86P84-R89 HydrophobicContact CB-CG 4.2Å; P84-R89 HydrophobicContact CG-CG 3.7Å; P84-R89 WeakPolarHBondContact O-CD 3.46Å; P85-R89 PolarHBondContact O-N 2.93Å; T86-R89 PolarHBondContact O-N 3.42Å; T86-R89 VanDerWaalsContact O-N 3.09Å
90S92.3Very high85.6Confident29 Ų2986.9 Ų86.920%0.20339%0.387CS..SBendtrans-64.9149177.8-178.80000111.4T86 S92 P93T86-S90 PolarHBondContact O-N 3Å; S90-S92 PolarHBondContact O-N 3Å; S90-S92 PolarHBondContact OG-N 3.47Å; S90-S92 VanDerWaalsContact OG-N 3.12Å; S90-S92 PolarHBondContact OG-O 3.39Å; S90-S92 PolarHBondContact OG-OG 3.48Å; S90-P93 WeakPolarHBondContact O-CD 3.19Å
91V94.6Very high87.2Confident74 Ų7476.6 Ų76.645%0.44835%0.351SS..SBendtrans-62.5-24.2168.1-65.10000112.2P93 C119 L120 C169V91-P93 WeakPolarHBondContact O-CD 3.43Å; V91-C119 CarbonylContact O-C 3.55Å; V91-C119 WeakPolarHBondContact O-CA 2.85Å; V91-L120 PolarHBondContact O-N 2.83Å; V91-C169 HydrophobicContact CG2-CB 4.03Å
92S96.1Very high88.3Confident3 Ų368.9 Ų68.92%0.02133%0.329CS..SBendtrans-120.478172.950.20000108S90 W94 S133 C167 T168 C169S90-S92 PolarHBondContact O-N 3Å; S90-S92 PolarHBondContact OG-N 3.47Å; S90-S92 VanDerWaalsContact OG-N 3.12Å; S90-S92 PolarHBondContact OG-O 3.39Å; S90-S92 PolarHBondContact OG-OG 3.48Å; S92-W94 VanDerWaalsContact O-CE3 3.31Å; S92-S133 WeakPolarHBondContact CA-OG 3.45Å; S92-S133 VanDerWaalsContact CB-OG 3.26Å; S92-S133 WeakPolarHBondContact CB-OG 3.26Å; S92-C167 WeakPolarHBondContact O-CB 3.06Å; S92-C167 VanDerWaalsContact OG-C 3.28Å; S92-C167 PolarHBondContact OG-O 3.09Å; S92-T168 WeakPolarHBondContact OG-CA 3.26Å; S92-T168 PolarHBondContact OG-N 3.27Å; S92-C169 PolarHBondContact OG-N 3.08Å
93P94.6Very high89.3Confident0 Ų063.9 Ų63.90%031%0.312CS..  trans-69.6148.9-17028.8-35.1000112.1P72 N87 S90 V91 L115 C116 L120P72-P93 HydrophobicContact CG-CG 4.15Å; N87-P93 WeakPolarHBondContact O-CA 3.49Å; N87-P93 WeakPolarHBondContact O-CB 3.09Å; S90-P93 WeakPolarHBondContact O-CD 3.19Å; V91-P93 WeakPolarHBondContact O-CD 3.43Å; P93-L115 HydrophobicContact CB-CD1 4.26Å; P93-L115 HydrophobicContact CG-CB 4.3Å; P93-L115 PolarHBondContact O-N 2.99Å; P93-C116 VanDerWaalsContact CG-SG 3.56Å; P93-L120 HydrophobicContact CG-CD1 3.93Å; P93-L120 HydrophobicContact CG-CG 4.49Å
94W94.3Very high90.1Very high36 Ų3654.4 Ų54.414%0.13628%0.276CS..EExtended strand (participates in β ladder)trans-137.5155.1-179.869.997.7000112.7N87 S92 Y96 A112 Y113 C167N87-W94 HydrophobicContact CB-CD2 3.65Å; N87-W94 HydrophobicContact CB-CE3 4.24Å; N87-W94 HydrophobicContact CB-CG 4.05Å; N87-W94 HydrophobicContact CB-CH2 4.24Å; N87-W94 HydrophobicContact CB-CZ2 3.64Å; N87-W94 PolarHBondContact ND2-O 2.91Å; N87-W94 PolarHBondContact O-N 3.36Å; S92-W94 VanDerWaalsContact O-CE3 3.31Å; W94-Y96 AromaticContact CD1-CE2 3.94Å; W94-Y96 AromaticContact CD1-CZ 3.78Å; W94-Y96 AromaticContact NE1-CE2 3.67Å; W94-Y96 AromaticContact NE1-CZ 3.32Å; W94-Y96 VanDerWaalsContact NE1-CZ 3.32Å; W94-Y96 PolarHBondContact NE1-OH 3.18Å; W94-A112 HydrophobicContact CG-CB 4.35Å; W94-Y113 VanDerWaalsContact CA-O 3.25Å; W94-Y113 WeakPolarHBondContact CA-O 3.29Å; W94-Y113 VanDerWaalsContact CB-O 3.28Å; W94-Y113 WeakPolarHBondContact CB-O 3.48Å; W94-C167 HydrophobicContact CB-CB 4.12Å; W94-C167 HydrophobicContact CE3-CB 4.27Å
95A91.3Very high90.8Very high5 Ų553.8 Ų53.84%0.04127%0.27CS..EExtended strand (participates in β ladder)trans-121.9171.9166.300000109.6A69 A112 Y113 L115A69-A95 HydrophobicContact CB-CB 3.95Å; A95-A112 CarbonylContact O-C 3.48Å; A95-A112 VanDerWaalsContact O-CA 3.32Å; A95-A112 WeakPolarHBondContact O-CA 3.36Å; A95-Y113 HydrophobicContact CB-CE1 3.93Å; A95-Y113 HydrophobicContact CB-CE2 4.13Å; A95-Y113 PolarHBondContact N-O 2.95Å; A95-Y113 WeakPolarHBondContact O-CD1 3.42Å; A95-Y113 PolarHBondContact O-N 2.9Å; A95-L115 HydrophobicContact CB-CD2 3.75Å; A95-L115 HydrophobicContact CB-CG 4.44Å
96Y89Confident91.2Very high30 Ų3051.7 Ų51.712%0.11826%0.256CS..EExtended strand (participates in β ladder)trans-114.1137.6-179.9-64.7-83.8000110.9L60 A66 W94 P110 E111 A112 V165L60-Y96 HydrophobicContact CD1-CD2 3.54Å; L60-Y96 HydrophobicContact CD1-CE2 4.39Å; L60-Y96 HydrophobicContact CD1-CG 3.7Å; L60-Y96 HydrophobicContact CD2-CD2 4.18Å; A66-Y96 WeakPolarHBondContact CB-O 3.48Å; W94-Y96 AromaticContact CD1-CE2 3.94Å; W94-Y96 AromaticContact CD1-CZ 3.78Å; W94-Y96 AromaticContact NE1-CE2 3.67Å; W94-Y96 AromaticContact NE1-CZ 3.32Å; W94-Y96 VanDerWaalsContact NE1-CZ 3.32Å; W94-Y96 PolarHBondContact NE1-OH 3.18Å; Y96-P110 HydrophobicContact CD1-CB 4.03Å; Y96-P110 HydrophobicContact CG-CB 4.46Å; Y96-E111 CarbonylContact C-O 3.59Å; Y96-E111 WeakPolarHBondContact CA-O 3.4Å; Y96-A112 HydrophobicContact CD1-CB 3.99Å; Y96-A112 HydrophobicContact CE1-CB 3.81Å; Y96-V165 PolarHBondContact OH-O 3.14Å
97R88.5Confident91.4Very high137 Ų13748.8 Ų48.852%0.51723%0.233SC..EExtended strand (participates in β ladder)trans-107.8147.3164.766.5-174.6-177.7-147.3-1109E111 Y113R97-E111 HydrophobicContact CG-CB 3.95Å; R97-E111 IonicContact CZ-OE2 3.87Å; R97-E111 PolarHBondContact N-O 2.87Å; R97-E111 IonicContact NE-OE2 3.56Å; R97-E111 PolarHBondContact NE-OE2 2.8Å; R97-E111 IonicContact NH2-OE2 3.38Å; R97-E111 PolarHBondContact NH2-OE2 3.3Å; R97-E111 PolarHBondContact O-N 3.05Å; R97-Y113 HydrophobicContact CB-CD1 4.18Å; R97-Y113 HydrophobicContact CB-CE1 4.02Å; R97-Y113 HydrophobicContact CG-CD1 4.2Å
98I86.4Confident91.4Very high64 Ų6452.9 Ų52.933%0.32825%0.248SC..EExtended strand (participates in β ladder)trans-93.4115.9178.4-56.3-56.7000109.6Y108 P110I98-Y108 HydrophobicContact CG2-CD1 3.66Å; I98-Y108 HydrophobicContact CG2-CG 4.19Å; I98-P110 HydrophobicContact CD1-CB 4.1Å
99S88.1Confident91.4Very high30 Ų3050 Ų5021%0.2123%0.232CC..EExtended strand (participates in β ladder)trans-84.2124171.6-177.30000109.7Y108 L109 E111S99-Y108 CarbonylContact O-C 3.6Å; S99-Y108 WeakPolarHBondContact O-CA 3.4Å; S99-L109 WeakPolarHBondContact CB-O 3.36Å; S99-L109 PolarHBondContact N-O 2.86Å; S99-L109 PolarHBondContact O-N 3.48Å; S99-E111 WeakPolarHBondContact CB-OE1 3.2Å; S99-E111 PolarHBondContact OG-OE1 2.82Å
100Y90.6Very high91.5Very high129 Ų12942.4 Ų42.451%0.50621%0.205SC..EExtended strand (participates in β ladder)trans-108.7129.2178.3174.5-103.7000110.8P102 R107 Y108Y100-P102 HydrophobicContact CE1-CB 4.12Å; Y100-P102 HydrophobicContact CE1-CG 4.2Å; Y100-R107 WeakPolarHBondContact CA-O 3.16Å; Y100-R107 HydrophobicContact CD2-CB 4.28Å; Y100-R107 HydrophobicContact CE2-CB 4.07Å; Y100-Y108 AromaticContact CD2-CD1 3.77Å; Y100-Y108 HydrophobicContact CD2-CD1 3.77Å; Y100-Y108 AromaticContact CD2-CE1 3.33Å; Y100-Y108 HydrophobicContact CD2-CE1 3.33Å; Y100-Y108 HydrophobicContact CD2-CE2 4.4Å; Y100-Y108 HydrophobicContact CD2-CG 4.48Å; Y100-Y108 AromaticContact CD2-CZ 3.69Å; Y100-Y108 HydrophobicContact CE2-CE1 4Å; Y100-Y108 HydrophobicContact CE2-CE2 4.46Å; Y100-Y108 AromaticContact CE2-CZ 3.87Å; Y100-Y108 HydrophobicContact CG-CD1 4.5Å; Y100-Y108 HydrophobicContact CG-CE1 4.15Å
101D94Very high91.4Very high34 Ų3443 Ų4318%0.18221%0.205CC..  trans-139111.9174.7-171.9-30000110A103 R104 R107 R144D101-A103 PolarHBondContact O-N 3.15Å; D101-A103 WeakPolarHBondContact OD1-CA 3.31Å; D101-A103 WeakPolarHBondContact OD1-CB 3.33Å; D101-A103 PolarHBondContact OD1-N 3.07Å; D101-R104 HydrophobicContact CB-CB 3.98Å; D101-R104 PolarHBondContact O-N 2.79Å; D101-R104 IonicContact OD2-NH1 3.17Å; D101-R107 PolarHBondContact N-O 2.84Å; D101-R144 IonicContact OD1-NH1 3.64Å; D101-R144 IonicContact OD2-CZ 3.28Å; D101-R144 VanDerWaalsContact OD2-CZ 3.28Å; D101-R144 IonicContact OD2-NH1 2.62Å; D101-R144 PolarHBondContact OD2-NH1 3.05Å; D101-R144 IonicContact OD2-NH2 3.17Å; D101-R144 PolarHBondContact OD2-NH2 3.5Å
102P92.6Very high91.3Very high56 Ų5639.5 Ų39.536%0.36418%0.184SC..THydrogen-bonded Turntrans-70.7-15.7-17829.1-34.5000113.3Y100 R104 R107Y100-P102 HydrophobicContact CE1-CB 4.12Å; Y100-P102 HydrophobicContact CE1-CG 4.2Å; P102-R104 VanDerWaalsContact C-N 3.34Å; P102-R107 PolarHBondContact O-NH1 2.78Å
103A93.8Very high91.3Very high28 Ų2842 Ų4223%0.23119%0.194CC..THydrogen-bonded Turntrans-96.415.6-179.800000112.6D101 R145D101-A103 PolarHBondContact O-N 3.15Å; D101-A103 WeakPolarHBondContact OD1-CA 3.31Å; D101-A103 WeakPolarHBondContact OD1-CB 3.33Å; D101-A103 PolarHBondContact OD1-N 3.07Å; A103-R145 HydrophobicContact CB-CB 4.34Å; A103-R145 WeakPolarHBondContact O-CB 3.28Å; A103-R145 PolarHBondContact O-N 3.09Å
104R93.9Very high91.3Very high18 Ų1843.7 Ų43.77%0.06820%0.204CC..EExtended strand (participates in β ladder)trans-135.7150.5-176.2-173.6177.565.2-153.4-1.2111D101 P102 P106 R107 V142 L143D101-R104 HydrophobicContact CB-CB 3.98Å; D101-R104 PolarHBondContact O-N 2.79Å; D101-R104 IonicContact OD2-NH1 3.17Å; P102-R104 VanDerWaalsContact C-N 3.34Å; R104-P106 PolarHBondContact NE-O 3.24Å; R104-P106 CarbonylContact O-C 3.59Å; R104-R107 WeakPolarHBondContact O-CA 3.47Å; R104-R107 WeakPolarHBondContact O-CG 3.4Å; R104-R107 PolarHBondContact O-N 2.87Å; R104-V142 HydrophobicContact CG-CB 3.74Å; R104-V142 HydrophobicContact CG-CG1 4.19Å; R104-V142 HydrophobicContact CG-CG2 3.94Å; R104-L143 CarbonylContact C-O 3.56Å; R104-L143 VanDerWaalsContact CA-O 3.27Å; R104-L143 WeakPolarHBondContact CA-O 3.43Å
105Y93Very high91.3Very high22 Ų2243 Ų439%0.08620%0.204CC..EExtended strand (participates in β ladder)trans-125127.9167.3-178-79.6000109.9E36 L39 E40 Y43 L143E36-Y105 HydrophobicContact CG-CE2 3.98Å; E36-Y105 VanDerWaalsContact OE1-CE2 3.31Å; E36-Y105 WeakPolarHBondContact OE1-CE2 3.38Å; L39-Y105 HydrophobicContact CB-CD1 3.94Å; L39-Y105 HydrophobicContact CB-CD2 3.64Å; L39-Y105 HydrophobicContact CB-CE1 4.28Å; L39-Y105 HydrophobicContact CB-CE2 3.97Å; L39-Y105 HydrophobicContact CB-CG 3.66Å; L39-Y105 HydrophobicContact CD1-CD2 3.87Å; L39-Y105 HydrophobicContact CD1-CG 4.16Å; L39-Y105 HydrophobicContact CG-CD2 4.39Å; L39-Y105 HydrophobicContact CG-CG 4.43Å; E40-Y105 HydrophobicContact CG-CE1 4.45Å; E40-Y105 HydrophobicContact CG-CE2 4.28Å; E40-Y105 WeakPolarHBondContact CG-OH 3.41Å; Y43-Y105 HydrophobicContact CD1-CE1 4.22Å; Y43-Y105 HydrophobicContact CD2-CD1 4.4Å; Y43-Y105 HydrophobicContact CG-CD1 4.13Å; Y43-Y105 AromaticContact CG-CE1 3.85Å; Y43-Y105 HydrophobicContact CG-CE1 3.85Å; Y105-L143 HydrophobicContact CD1-CD1 4.18Å; Y105-L143 PolarHBondContact N-O 2.66Å; Y105-L143 PolarHBondContact O-N 3.38Å
106P91.9Very high91.5Very high20 Ų2043.2 Ų43.213%0.1320%0.204CC..SBendcis-65.3145.5-4.827.8-34.2000111.9R104 Y108 L109R104-P106 PolarHBondContact NE-O 3.24Å; R104-P106 CarbonylContact O-C 3.59Å; P106-Y108 VanDerWaalsContact C-N 3.29Å; P106-Y108 PolarHBondContact O-N 3.29Å; P106-L109 HydrophobicContact CG-CD1 4.13Å; P106-L109 HydrophobicContact CG-CG 4.48Å; P106-L109 WeakPolarHBondContact O-CD1 3.33Å
107R91.1Very high91.8Very high42 Ų4252.4 Ų52.416%0.15824%0.239CC..SBendtrans-68.2-32.9-178.2-65.6179-164.4-99.29.3111.7D33 Y100 D101 P102 R104D33-R107 IonicContact OD2-CZ 2.89Å; D33-R107 IonicContact OD2-NH1 2.87Å; D33-R107 PolarHBondContact OD2-NH1 2.91Å; D33-R107 IonicContact OD2-NH2 3.75Å; D33-R107 PolarHBondContact OD2-NH2 3.26Å; Y100-R107 WeakPolarHBondContact CA-O 3.16Å; Y100-R107 HydrophobicContact CD2-CB 4.28Å; Y100-R107 HydrophobicContact CE2-CB 4.07Å; D101-R107 PolarHBondContact N-O 2.84Å; P102-R107 PolarHBondContact O-NH1 2.78Å; R104-R107 WeakPolarHBondContact O-CA 3.47Å; R104-R107 WeakPolarHBondContact O-CG 3.4Å; R104-R107 PolarHBondContact O-N 2.87Å
108Y88Confident92Very high115 Ų11546 Ų4645%0.45122%0.215SC..EExtended strand (participates in β ladder)trans-104125.2178.5-57.9-79.4000109.7I98 S99 Y100 P106I98-Y108 HydrophobicContact CG2-CD1 3.66Å; I98-Y108 HydrophobicContact CG2-CG 4.19Å; S99-Y108 CarbonylContact O-C 3.6Å; S99-Y108 WeakPolarHBondContact O-CA 3.4Å; Y100-Y108 AromaticContact CD2-CD1 3.77Å; Y100-Y108 HydrophobicContact CD2-CD1 3.77Å; Y100-Y108 AromaticContact CD2-CE1 3.33Å; Y100-Y108 HydrophobicContact CD2-CE1 3.33Å; Y100-Y108 HydrophobicContact CD2-CE2 4.4Å; Y100-Y108 HydrophobicContact CD2-CG 4.48Å; Y100-Y108 AromaticContact CD2-CZ 3.69Å; Y100-Y108 HydrophobicContact CE2-CE1 4Å; Y100-Y108 HydrophobicContact CE2-CE2 4.46Å; Y100-Y108 AromaticContact CE2-CZ 3.87Å; Y100-Y108 HydrophobicContact CG-CD1 4.5Å; Y100-Y108 HydrophobicContact CG-CE1 4.15Å; P106-Y108 VanDerWaalsContact C-N 3.29Å; P106-Y108 PolarHBondContact O-N 3.29Å
109L88.4Confident92.5Very high7 Ų743 Ų434%0.03720%0.2CC..EExtended strand (participates in β ladder)trans-122135.7169.7-90.9103.6000111.1S99 P106 T140 V142 V161 I163S99-L109 WeakPolarHBondContact CB-O 3.36Å; S99-L109 PolarHBondContact N-O 2.86Å; S99-L109 PolarHBondContact O-N 3.48Å; P106-L109 HydrophobicContact CG-CD1 4.13Å; P106-L109 HydrophobicContact CG-CG 4.48Å; P106-L109 WeakPolarHBondContact O-CD1 3.33Å; L109-T140 HydrophobicContact CD2-CG2 4.03Å; L109-V142 HydrophobicContact CD1-CG1 4.14Å; L109-V142 HydrophobicContact CD2-CG1 4.47Å; L109-V161 HydrophobicContact CD2-CG2 4.49Å; L109-I163 HydrophobicContact CD2-CD1 4.01Å; L109-I163 HydrophobicContact CD2-CG2 3.81Å
110P88.8Confident92.8Very high12 Ų1242.9 Ų42.98%0.07820%0.197CC..EExtended strand (participates in β ladder)trans-80.7121.5172.931.7-28.9000109.5L58 Y96 I98L58-P110 HydrophobicContact CD2-CG 3.98Å; Y96-P110 HydrophobicContact CD1-CB 4.03Å; Y96-P110 HydrophobicContact CG-CB 4.46Å; I98-P110 HydrophobicContact CD1-CB 4.1Å
111E90.9Very high92.8Very high40 Ų4039.8 Ų39.819%0.18719%0.192CC..EExtended strand (participates in β ladder)trans-108.5120174.3-67.9177.9-169.900109.1Y96 R97 S99 P164Y96-E111 CarbonylContact C-O 3.59Å; Y96-E111 WeakPolarHBondContact CA-O 3.4Å; R97-E111 HydrophobicContact CG-CB 3.95Å; R97-E111 IonicContact CZ-OE2 3.87Å; R97-E111 PolarHBondContact N-O 2.87Å; R97-E111 IonicContact NE-OE2 3.56Å; R97-E111 PolarHBondContact NE-OE2 2.8Å; R97-E111 IonicContact NH2-OE2 3.38Å; R97-E111 PolarHBondContact NH2-OE2 3.3Å; R97-E111 PolarHBondContact O-N 3.05Å; S99-E111 WeakPolarHBondContact CB-OE1 3.2Å; S99-E111 PolarHBondContact OG-OE1 2.82Å; E111-P164 HydrophobicContact CB-CG 3.96Å; E111-P164 HydrophobicContact CG-CG 4.47Å
112A92.9Very high92.3Very high2 Ų239.5 Ų39.52%0.01720%0.196CC..EExtended strand (participates in β ladder)trans-69.1144.5173.200000111.5W94 A95 Y96 P164W94-A112 HydrophobicContact CG-CB 4.35Å; A95-A112 CarbonylContact O-C 3.48Å; A95-A112 VanDerWaalsContact O-CA 3.32Å; A95-A112 WeakPolarHBondContact O-CA 3.36Å; Y96-A112 HydrophobicContact CD1-CB 3.99Å; Y96-A112 HydrophobicContact CE1-CB 3.81Å; A112-P164 HydrophobicContact CB-CB 4.29Å; A112-P164 WeakPolarHBondContact CB-O 3.47Å; A112-P164 PolarHBondContact N-O 3.1Å; A112-P164 WeakPolarHBondContact O-CB 3.44Å; A112-P164 WeakPolarHBondContact O-CG 3.49Å
113Y94.1Very high91.8Very high56 Ų5644.9 Ų44.922%0.2222%0.221CC..EExtended strand (participates in β ladder)trans-139143.1167.264.2-85.8000110A66 W94 A95 R97 L115A66-Y113 PolarHBondContact O-OH 2.76Å; W94-Y113 VanDerWaalsContact CA-O 3.25Å; W94-Y113 WeakPolarHBondContact CA-O 3.29Å; W94-Y113 VanDerWaalsContact CB-O 3.28Å; W94-Y113 WeakPolarHBondContact CB-O 3.48Å; A95-Y113 HydrophobicContact CB-CE1 3.93Å; A95-Y113 HydrophobicContact CB-CE2 4.13Å; A95-Y113 PolarHBondContact N-O 2.95Å; A95-Y113 WeakPolarHBondContact O-CD1 3.42Å; A95-Y113 PolarHBondContact O-N 2.9Å; R97-Y113 HydrophobicContact CB-CD1 4.18Å; R97-Y113 HydrophobicContact CB-CE1 4.02Å; R97-Y113 HydrophobicContact CG-CD1 4.2Å; Y113-L115 HydrophobicContact CD2-CD2 4.36Å; Y113-L115 HydrophobicContact CE2-CD2 3.77Å
114C95.9Very high91.1Very high34 Ų3451.7 Ų51.723%0.2325%0.246CC..EExtended strand (participates in β ladder)trans-74.7138.1-176.9-45.70000110.1C167C114-C167 WeakPolarHBondContact CA-SG 3.21Å; C114-C167 HydrophobicContact CB-CB 3.97Å; C114-C167 WeakPolarHBondContact CB-SG 3.23Å; C114-C167 PolarHBondContact N-SG 3.25Å; C114-C167 WeakPolarHBondContact SG-CB 3.46Å; C114-C167 CovalentContact SG-SG 2.04Å; C114-C167 PolarHBondContact SG-SG 3.19Å
115L94.8Very high90.6Very high23 Ų2352 Ų5212%0.1226%0.255CS..SBendtrans-82-33.2179.6-62.2-177.5000112A69 C71 L88 P93 A95 Y113A69-L115 HydrophobicContact CB-CD1 4.14Å; A69-L115 HydrophobicContact CB-CD2 3.67Å; A69-L115 WeakPolarHBondContact O-CD2 3.13Å; C71-L115 WeakPolarHBondContact CB-O 3.4Å; L88-L115 HydrophobicContact CD2-CD1 3.86Å; P93-L115 HydrophobicContact CB-CD1 4.26Å; P93-L115 HydrophobicContact CG-CB 4.3Å; P93-L115 PolarHBondContact O-N 2.99Å; A95-L115 HydrophobicContact CB-CD2 3.75Å; A95-L115 HydrophobicContact CB-CG 4.44Å; Y113-L115 HydrophobicContact CD2-CD2 4.36Å; Y113-L115 HydrophobicContact CE2-CD2 3.77Å
116C94.6Very high90.5Very high8 Ų855.5 Ų55.55%0.05427%0.272CS..  trans-106.8158.7-179.5-54.10000110.9C71 P93 S133C71-C116 VanDerWaalsContact CA-SG 3.56Å; C71-C116 HydrophobicContact CB-CB 3.97Å; C71-C116 WeakPolarHBondContact CB-SG 3.36Å; C71-C116 WeakPolarHBondContact SG-CB 3.33Å; C71-C116 CovalentContact SG-SG 2.04Å; C71-C116 PolarHBondContact SG-SG 3.41Å; P93-C116 VanDerWaalsContact CG-SG 3.56Å; C116-S133 WeakPolarHBondContact O-CB 3.41Å
117R94.5Very high90.5Very high224 Ų22457.8 Ų57.885%0.84528%0.281SS*.SBendtrans-84.7-49.3172.1-68.1-177.8177.2-179.50.2110.3E127 R132 S133R117-E127 WeakPolarHBondContact CA-OE1 3.36Å; R117-E127 PolarHBondContact N-OE1 3.29Å; R117-R132 WeakPolarHBondContact O-CA 3.34Å; R117-S133 PolarHBondContact O-N 3.45Å
118G94.3Very high90.6Very high2 Ų256.8 Ų56.82%0.02128%0.279CS..SBendtrans-89.1-159.3171.600000112.6E127 D128 F131 S133G118-E127 PolarHBondContact N-OE1 3.32Å; G118-D128 WeakPolarHBondContact CA-O 3.36Å; G118-F131 VanDerWaalsContact CA-O 3.22Å; G118-F131 WeakPolarHBondContact CA-O 3.18Å; G118-S133 WeakPolarHBondContact O-CB 3.22Å; G118-S133 PolarHBondContact O-OG 3.19Å
119C95.8Very high90.7Very high0 Ų056.2 Ų56.20%029%0.287CS..BIsolated β-bridgetrans-120.2149.2178.5-55.50000111.5V91 T121 E127 D128 F131 C169V91-C119 CarbonylContact O-C 3.55Å; V91-C119 WeakPolarHBondContact O-CA 2.85Å; C119-T121 HydrophobicContact CB-CG2 4.04Å; C119-T121 PolarHBondContact O-N 2.83Å; C119-E127 WeakPolarHBondContact O-CA 3.44Å; C119-D128 PolarHBondContact N-O 2.9Å; C119-D128 VanDerWaalsContact N-O 3.13Å; C119-D128 PolarHBondContact O-N 3.4Å; C119-F131 HydrophobicContact CB-CB 3.98Å; C119-F131 WeakPolarHBondContact SG-CB 3.44Å; C119-C169 HydrophobicContact CB-CB 3.98Å; C119-C169 WeakPolarHBondContact CB-SG 3.46Å; C119-C169 WeakPolarHBondContact SG-CA 3.43Å; C119-C169 WeakPolarHBondContact SG-CB 3.46Å; C119-C169 CovalentContact SG-SG 2.03Å; C119-C169 PolarHBondContact SG-SG 3.13Å
120L94Very high90.9Very high28 Ų2864.2 Ų64.215%0.14732%0.317CS..  trans-8266.8178.1-52.7-176000110.8P72 A73 V91 P93 E126 E127P72-L120 HydrophobicContact CG-CD1 3.88Å; A73-L120 HydrophobicContact CB-CD2 3.94Å; V91-L120 PolarHBondContact O-N 2.83Å; P93-L120 HydrophobicContact CG-CD1 3.93Å; P93-L120 HydrophobicContact CG-CG 4.49Å; L120-E126 WeakPolarHBondContact CA-O 3.47Å; L120-E127 HydrophobicContact CD2-CB 4.08Å
121T90.6Very high91.2Very high65 Ų6566.9 Ų66.940%0.39933%0.327SS..  trans-100.9-7.817953.90000112.9C119 D128C119-T121 HydrophobicContact CB-CG2 4.04Å; C119-T121 PolarHBondContact O-N 2.83Å; T121-D128 WeakPolarHBondContact OG1-CB 3.34Å; T121-D128 PolarHBondContact OG1-OD2 2.04Å
122G84.5Confident91.4Very high27 Ų2771.5 Ų71.528%0.27834%0.343SS..SBendtrans-63.2152.9175.800000112.6F124 G125 E126G122-F124 PolarHBondContact O-N 3.08Å; G122-G125 PolarHBondContact O-N 3.08Å; G122-E126 PolarHBondContact N-O 3.48Å; G122-E126 VanDerWaalsContact N-O 3.1Å
123L80.9Confident91.6Very high169 Ų16971.8 Ų71.889%0.88535%0.345SS*.THydrogen-bonded Turntrans-54.5-27.6-176.3-69170.5000114.3
124F80.3Confident91.7Very high171 Ų17170 Ų7075%0.7534%0.342SS*.THydrogen-bonded Turntrans-11218179.2-55.4-68.3000113G122G122-F124 PolarHBondContact O-N 3.08Å
125G83.3Confident91.8Very high26 Ų2670.4 Ų70.427%0.26834%0.344SS..SBendtrans75.528-172.900000112.8G74 G122G74-G125 PolarHBondContact N-O 3.06Å; G122-G125 PolarHBondContact O-N 3.08Å
126E90.1Very high91.9Very high94 Ų9472.2 Ų72.244%0.43936%0.356SS..  trans-72.4147.1171.1-59.2-56.7152.500110.6G74 L120 G122 D128G74-E126 VanDerWaalsContact CA-OE1 3.27Å; G74-E126 WeakPolarHBondContact CA-OE1 3.48Å; L120-E126 WeakPolarHBondContact CA-O 3.47Å; G122-E126 PolarHBondContact N-O 3.48Å; G122-E126 VanDerWaalsContact N-O 3.1Å; E126-D128 PolarHBondContact O-N 2.62Å
127E93.4Very high91.8Very high68 Ų6878.5 Ų78.532%0.31838%0.379SS..  trans-75.4121.3177-173.2174.9-165.100110.7A73 R117 G118 C119 L120A73-E127 HydrophobicContact CB-CB 3.95Å; R117-E127 WeakPolarHBondContact CA-OE1 3.36Å; R117-E127 PolarHBondContact N-OE1 3.29Å; G118-E127 PolarHBondContact N-OE1 3.32Å; C119-E127 WeakPolarHBondContact O-CA 3.44Å; L120-E127 HydrophobicContact CD2-CB 4.08Å
128D92.7Very high91.6Very high22 Ų2271 Ų7112%0.11836%0.355CS..BIsolated β-bridgetrans-98.5115.6172.2-171.2-9.2000109.7G118 C119 T121 E126 R130 F131G118-D128 WeakPolarHBondContact CA-O 3.36Å; C119-D128 PolarHBondContact N-O 2.9Å; C119-D128 VanDerWaalsContact N-O 3.13Å; C119-D128 PolarHBondContact O-N 3.4Å; T121-D128 WeakPolarHBondContact OG1-CB 3.34Å; T121-D128 PolarHBondContact OG1-OD2 2.04Å; E126-D128 PolarHBondContact O-N 2.62Å; D128-R130 VanDerWaalsContact C-N 3.32Å; D128-R130 WeakPolarHBondContact OD1-CB 3.42Å; D128-R130 WeakPolarHBondContact OD1-CG 3.45Å; D128-R130 IonicContact OD1-CZ 2.93Å; D128-R130 PolarHBondContact OD1-N 2.93Å; D128-R130 IonicContact OD1-NE 3.73Å; D128-R130 PolarHBondContact OD1-NE 3.05Å; D128-R130 IonicContact OD1-NH2 3.43Å; D128-R130 IonicContact OD2-CZ 3.61Å; D128-R130 VanDerWaalsContact OD2-CZ 3.31Å; D128-R130 IonicContact OD2-NE 3.31Å; D128-R130 PolarHBondContact OD2-NE 2.66Å; D128-R130 IonicContact OD2-NH2 3Å; D128-R130 PolarHBondContact OD2-NH2 2.93Å; D128-F131 HydrophobicContact CB-CD2 4.18Å; D128-F131 WeakPolarHBondContact OD2-CE2 3.41Å
129V90.6Very high91.5Very high102 Ų10274.8 Ų74.862%0.61838%0.379SS*.THydrogen-bonded Turntrans-81.6-8.1-176.9-61.90000113.6F131V129-F131 CarbonylContact C-O 3.48Å; V129-F131 PolarHBondContact O-N 3.27Å
130R91.5Very high91.1Very high175 Ų17574.9 Ų74.966%0.6638%0.38SS*.THydrogen-bonded Turntrans-69.5-14.1171.3-62173.5-67.9-179.90.7112.5D128 E172D128-R130 VanDerWaalsContact C-N 3.32Å; D128-R130 WeakPolarHBondContact OD1-CB 3.42Å; D128-R130 WeakPolarHBondContact OD1-CG 3.45Å; D128-R130 IonicContact OD1-CZ 2.93Å; D128-R130 PolarHBondContact OD1-N 2.93Å; D128-R130 IonicContact OD1-NE 3.73Å; D128-R130 PolarHBondContact OD1-NE 3.05Å; D128-R130 IonicContact OD1-NH2 3.43Å; D128-R130 IonicContact OD2-CZ 3.61Å; D128-R130 VanDerWaalsContact OD2-CZ 3.31Å; D128-R130 IonicContact OD2-NE 3.31Å; D128-R130 PolarHBondContact OD2-NE 2.66Å; D128-R130 IonicContact OD2-NH2 3Å; D128-R130 PolarHBondContact OD2-NH2 2.93Å; R130-E172 WeakPolarHBondContact O-CB 3.27Å; R130-E172 PolarHBondContact O-N 3.19Å
131F94.7Very high90.9Very high69 Ų6973.8 Ų73.830%0.30337%0.374SS..EExtended strand (participates in β ladder)trans-112.5165.9171.3-59.6-87.2000109.5G118 C119 D128 V129 C169 V170G118-F131 VanDerWaalsContact CA-O 3.22Å; G118-F131 WeakPolarHBondContact CA-O 3.18Å; C119-F131 HydrophobicContact CB-CB 3.98Å; C119-F131 WeakPolarHBondContact SG-CB 3.44Å; D128-F131 HydrophobicContact CB-CD2 4.18Å; D128-F131 WeakPolarHBondContact OD2-CE2 3.41Å; V129-F131 CarbonylContact C-O 3.48Å; V129-F131 PolarHBondContact O-N 3.27Å; F131-C169 VanDerWaalsContact CB-SG 3.56Å; F131-V170 CarbonylContact C-O 3.59Å; F131-V170 VanDerWaalsContact CA-O 3.27Å; F131-V170 WeakPolarHBondContact CA-O 3.49Å; F131-V170 WeakPolarHBondContact CB-O 3.27Å
132R95.9Very high91.1Very high136 Ų13670.7 Ų70.751%0.51336%0.355SS..EExtended strand (participates in β ladder)trans-128.4131.1177-175.8-179.3176.4-160.71110.1R117 A134 V170R117-R132 WeakPolarHBondContact O-CA 3.34Å; R132-A134 PolarHBondContact O-N 2.72Å; R132-V170 HydrophobicContact CB-CG2 4.12Å; R132-V170 PolarHBondContact N-O 3.01Å; R132-V170 WeakPolarHBondContact O-CG2 3.04Å; R132-V170 PolarHBondContact O-N 2.88Å
133S97.1Very high91.6Very high9 Ų969.7 Ų69.76%0.06334%0.343CS..EExtended strand (participates in β ladder)trans-72.6112.7163.1-78.10000109.2S92 C116 R117 G118 T168S92-S133 WeakPolarHBondContact CA-OG 3.45Å; S92-S133 VanDerWaalsContact CB-OG 3.26Å; S92-S133 WeakPolarHBondContact CB-OG 3.26Å; C116-S133 WeakPolarHBondContact O-CB 3.41Å; R117-S133 PolarHBondContact O-N 3.45Å; G118-S133 WeakPolarHBondContact O-CB 3.22Å; G118-S133 PolarHBondContact O-OG 3.19Å; S133-T168 CarbonylContact C-O 3.56Å; S133-T168 WeakPolarHBondContact CA-O 3.47Å
134A97.1Very high92.3Very high18 Ų1865.1 Ų65.115%0.14931%0.314CS..EExtended strand (participates in β ladder)trans-114.2135.7-178.300000111.1R132 C167 T168 V170R132-A134 PolarHBondContact O-N 2.72Å; A134-C167 CarbonylContact O-C 3.55Å; A134-C167 VanDerWaalsContact O-CA 3.29Å; A134-C167 WeakPolarHBondContact O-CA 3.09Å; A134-T168 HydrophobicContact CB-CG2 4.49Å; A134-T168 PolarHBondContact N-O 3.44Å; A134-T168 PolarHBondContact O-N 3Å; A134-V170 HydrophobicContact CB-CG2 3.94Å
135P96.9Very high93Very high42 Ų4261.4 Ų61.427%0.27330%0.295SS..EExtended strand (participates in β ladder)trans-66.7137.5175.927.5-33.3000111Y137 P164 G166P135-Y137 HydrophobicContact CB-CE2 4.1Å; P135-Y137 HydrophobicContact CG-CE2 3.68Å; P135-Y137 WeakPolarHBondContact CG-OH 3.22Å; P135-P164 HydrophobicContact CB-CB 4.08Å; P135-G166 CarbonylContact C-O 3.58Å; P135-G166 WeakPolarHBondContact CA-O 3.44Å
136V96.4Very high93.6Very high61 Ų6161.7 Ų61.737%0.3729%0.292SS..EExtended strand (participates in β ladder)trans-94.7123.2172.3-179.50000108.4P164 V165 G166 T168V136-P164 CarbonylContact O-C 3.44Å; V136-P164 WeakPolarHBondContact O-CA 3.41Å; V136-V165 HydrophobicContact CB-CG2 4.43Å; V136-V165 HydrophobicContact CG1-CG2 4.27Å; V136-V165 WeakPolarHBondContact O-CG2 3.37Å; V136-V165 PolarHBondContact O-N 2.88Å; V136-G166 PolarHBondContact N-O 2.76Å; V136-T168 HydrophobicContact CG2-CG2 3.59Å
137Y94.4Very high93.6Very high141 Ų14163.7 Ų63.755%0.55331%0.313SS*.EExtended strand (participates in β ladder)trans-100142.6-176.5-68.7-78.2000112.1P135 T162 I163 P164P135-Y137 HydrophobicContact CB-CE2 4.1Å; P135-Y137 HydrophobicContact CG-CE2 3.68Å; P135-Y137 WeakPolarHBondContact CG-OH 3.22Å; Y137-T162 HydrophobicContact CD1-CG2 3.79Å; Y137-T162 HydrophobicContact CG-CG2 4Å; Y137-I163 WeakPolarHBondContact CA-O 3.05Å; Y137-P164 HydrophobicContact CD1-CB 4.15Å; Y137-P164 HydrophobicContact CE1-CB 3.97Å; Y137-P164 HydrophobicContact CE1-CG 4.35Å
138M90Very high93.5Very high66 Ų6662.9 Ų62.933%0.32532%0.318SS..EExtended strand (participates in β ladder)trans-134.1137.1175.4-170.7174.7-75.800110.7F54 T140 I163 V165F54-M138 HydrophobicContact CE2-CE 4.38Å; F54-M138 HydrophobicContact CE2-SD 3.51Å; F54-M138 VanDerWaalsContact CE2-SD 3.51Å; F54-M138 HydrophobicContact CZ-CE 4.17Å; F54-M138 HydrophobicContact CZ-SD 3.7Å; M138-T140 PolarHBondContact O-N 2.86Å; M138-I163 PolarHBondContact N-O 3.03Å; M138-I163 PolarHBondContact O-N 3.48Å; M138-V165 HydrophobicContact CB-CG1 3.7Å; M138-V165 HydrophobicContact CB-CG2 4.2Å; M138-V165 HydrophobicContact SD-CG1 4.48Å
139P90.8Very high93.5Very high82 Ų8265 Ų6553%0.53233%0.334SS..EExtended strand (participates in β ladder)trans-68128.7170.328.8-33.6000109.9
140T87.3Confident93.5Very high2 Ų262.3 Ų62.31%0.01232%0.322CS..EExtended strand (participates in β ladder)trans-124.5126.8180-67.10000109.8L51 L109 M138 V142 Y160 V161 I163L51-T140 HydrophobicContact CD1-CG2 4.03Å; L51-T140 HydrophobicContact CD2-CG2 3.68Å; L109-T140 HydrophobicContact CD2-CG2 4.03Å; M138-T140 PolarHBondContact O-N 2.86Å; T140-V142 HydrophobicContact CG2-CG1 4.42Å; T140-Y160 WeakPolarHBondContact O-CA 3.09Å; T140-V161 PolarHBondContact N-O 2.78Å; T140-V161 PolarHBondContact O-N 2.96Å; T140-I163 HydrophobicContact CG2-CD1 4.2Å; T140-I163 WeakPolarHBondContact OG1-CD1 3.47Å; T140-I163 WeakPolarHBondContact OG1-CG1 3.06Å
141V91.1Very high93.4Very high4 Ų458.1 Ų58.12%0.02433%0.333CS..EExtended strand (participates in β ladder)trans-70.7141.9174.967.50000110.3Y43 L46 A47 L51 E158 A159 Y160Y43-V141 HydrophobicContact CE2-CG1 4.19Å; Y43-V141 WeakPolarHBondContact CE2-O 3.29Å; L46-V141 HydrophobicContact CB-CG1 4.33Å; L46-V141 HydrophobicContact CB-CG2 4.06Å; L46-V141 HydrophobicContact CD1-CG2 4.26Å; A47-V141 HydrophobicContact CB-CG1 4.22Å; L51-V141 HydrophobicContact CD1-CG1 3.89Å; V141-E158 HydrophobicContact CG2-CG 3.64Å; V141-A159 CarbonylContact C-O 3.54Å; V141-Y160 HydrophobicContact CB-CD1 4.31Å; V141-Y160 HydrophobicContact CB-CE1 3.9Å; V141-Y160 HydrophobicContact CG2-CE1 4.33Å
142V93.4Very high93.2Very high0 Ų057.3 Ų57.30%034%0.344CS..EExtended strand (participates in β ladder)trans-145158175.1-61.70000109.6R104 L109 T140 R144 A159 V161R104-V142 HydrophobicContact CG-CB 3.74Å; R104-V142 HydrophobicContact CG-CG1 4.19Å; R104-V142 HydrophobicContact CG-CG2 3.94Å; L109-V142 HydrophobicContact CD1-CG1 4.14Å; L109-V142 HydrophobicContact CD2-CG1 4.47Å; T140-V142 HydrophobicContact CG2-CG1 4.42Å; V142-R144 HydrophobicContact CG2-CG 4.26Å; V142-A159 HydrophobicContact CG2-CB 4.18Å; V142-A159 WeakPolarHBondContact CG2-O 3.4Å; V142-A159 PolarHBondContact N-O 3.41Å; V142-A159 PolarHBondContact O-N 3.33Å; V142-A159 VanDerWaalsContact O-O 3.11Å; V142-V161 HydrophobicContact CG1-CG2 3.71Å; V142-V161 HydrophobicContact CG2-CG1 3.85Å; V142-V161 HydrophobicContact CG2-CG2 4.18Å
143L95.2Very high93Very high6 Ų655.9 Ų55.93%0.03134%0.339CS..EExtended strand (participates in β ladder)trans-96.6119.9169.9-65.6173.8000109.2L39 L42 L46 R104 Y105 Y156 T157L39-L143 HydrophobicContact CB-CD1 4.48Å; L39-L143 HydrophobicContact CD2-CD1 4.13Å; L42-L143 HydrophobicContact CB-CD1 3.74Å; L46-L143 HydrophobicContact CD1-CD2 3.51Å; L46-L143 HydrophobicContact CD1-CG 4.36Å; R104-L143 CarbonylContact C-O 3.56Å; R104-L143 VanDerWaalsContact CA-O 3.27Å; R104-L143 WeakPolarHBondContact CA-O 3.43Å; Y105-L143 HydrophobicContact CD1-CD1 4.18Å; Y105-L143 PolarHBondContact N-O 2.66Å; Y105-L143 PolarHBondContact O-N 3.38Å; L143-Y156 HydrophobicContact CB-CD1 4.11Å; L143-T157 CarbonylContact C-O 3.58Å; L143-T157 WeakPolarHBondContact CA-O 2.93Å
144R96.4Very high92.9Very high74 Ų7455.8 Ų55.828%0.27934%0.338SS..EExtended strand (participates in β ladder)trans-99.1132178.2-76.9-73.1-174.9176.6-4.4110.9D101 V142 T146 Y156 T157 A159D101-R144 IonicContact OD1-NH1 3.64Å; D101-R144 IonicContact OD2-CZ 3.28Å; D101-R144 VanDerWaalsContact OD2-CZ 3.28Å; D101-R144 IonicContact OD2-NH1 2.62Å; D101-R144 PolarHBondContact OD2-NH1 3.05Å; D101-R144 IonicContact OD2-NH2 3.17Å; D101-R144 PolarHBondContact OD2-NH2 3.5Å; V142-R144 HydrophobicContact CG2-CG 4.26Å; R144-T146 PolarHBondContact O-N 3.17Å; R144-Y156 CarbonylContact O-C 3.6Å; R144-Y156 VanDerWaalsContact O-CA 3.24Å; R144-Y156 WeakPolarHBondContact O-CA 3.44Å; R144-T157 PolarHBondContact N-O 2.95Å; R144-T157 PolarHBondContact O-N 3.22Å; R144-A159 HydrophobicContact CB-CB 4.28Å; R144-A159 HydrophobicContact CG-CB 3.58Å
145R95.6Very high92.7Very high93 Ų9357 Ų5735%0.35134%0.344SS..EExtended strand (participates in β ladder)trans-72.1124.5174.6-170.7171.964.7-168.6-1109.6D33 A103 Y156D33-R145 WeakPolarHBondContact OD1-CD 3.25Å; D33-R145 IonicContact OD1-CZ 3.77Å; D33-R145 IonicContact OD1-NH1 2.76Å; D33-R145 PolarHBondContact OD1-NH1 2.03Å; D33-R145 IonicContact OD2-NH1 3.41Å; D33-R145 PolarHBondContact OD2-NH1 2.68Å; A103-R145 HydrophobicContact CB-CB 4.34Å; A103-R145 WeakPolarHBondContact O-CB 3.28Å; A103-R145 PolarHBondContact O-N 3.09Å; R145-Y156 HydrophobicContact CB-CD1 4.13Å; R145-Y156 HydrophobicContact CB-CE1 3.73Å; R145-Y156 HydrophobicContact CG-CE1 4.31Å; R145-Y156 HydrophobicContact CG-CE2 4.28Å
146T94.1Very high92.6Very high32 Ų3256.5 Ų56.520%0.19634%0.336CS..EExtended strand (participates in β ladder)trans-88.4163.6175.570.90000110.6R144 A148 V155 T157R144-T146 PolarHBondContact O-N 3.17Å; T146-A148 PolarHBondContact O-N 3.13Å; T146-A148 PolarHBondContact OG1-N 2.89Å; T146-V155 WeakPolarHBondContact CB-O 3.32Å; T146-V155 PolarHBondContact N-O 3.04Å; T146-V155 WeakPolarHBondContact OG1-CB 3.33Å; T146-V155 PolarHBondContact OG1-O 3.41Å; T146-T157 HydrophobicContact CG2-CG2 3.6Å
147P91.4Very high92.6Very high136 Ų13657 Ų5788%0.88334%0.34SS*.EExtended strand (participates in β ladder)trans-71.4-9.3170.630.1-36.2000113.2
148A91.3Very high92.5Very high51 Ų5154.5 Ų54.542%0.42133%0.333SS..EExtended strand (participates in β ladder)trans-79.8152-177.400000112.2T146 V155T146-A148 PolarHBondContact O-N 3.13Å; T146-A148 PolarHBondContact OG1-N 2.89Å; A148-V155 HydrophobicContact CB-CB 4.39Å; A148-V155 HydrophobicContact CB-CG2 4.46Å; A148-V155 PolarHBondContact O-N 2.04Å; A148-V155 VanDerWaalsContact O-N 3.1Å
149C92.5Very high92.7Very high67 Ų6752.7 Ų52.745%0.45333%0.329SS..EExtended strand (participates in β ladder)trans-130.5130.2-178.4-53.90000111.2C31 R153C31-C149 HydrophobicContact CB-CB 3.86Å; C31-C149 WeakPolarHBondContact CB-SG 3.36Å; C31-C149 WeakPolarHBondContact SG-CB 3.14Å; C31-C149 CovalentContact SG-SG 1.98Å; C31-C149 PolarHBondContact SG-SG 2.96Å; C149-R153 WeakPolarHBondContact CA-O 3.14Å
150A90.8Very high92.8Very high45 Ų4555.9 Ų55.937%0.37233%0.331SS..EExtended strand (participates in β ladder)trans-124.5119.7177.200000108.8G152 R153 V155A150-G152 VanDerWaalsContact C-N 3.26Å; A150-G152 PolarHBondContact O-N 2.76Å; A150-R153 PolarHBondContact N-O 2.78Å; A150-R153 PolarHBondContact O-N 3.39Å; A150-V155 HydrophobicContact CB-CG2 3.66Å
151G89.6Confident93Very high87 Ų8757.1 Ų57.190%0.89734%0.338SS*.THydrogen-bonded Turntrans59.234.9-178.100000113.6R153G151-R153 PolarHBondContact O-N 3.12Å
152G90Very high93.1Very high51 Ų5161.7 Ų61.753%0.52637%0.366SS..THydrogen-bonded Turntrans74.34.7-177.200000115.1A32 A150A32-G152 PolarHBondContact N-O 3.23Å; A150-G152 VanDerWaalsContact C-N 3.26Å; A150-G152 PolarHBondContact O-N 2.76Å
153R92.8Very high93Very high106 Ų10662.3 Ų62.340%0.437%0.37SS..EExtended strand (participates in β ladder)trans-109.4143.5178.1-62.3-67.9-176.9166.9-1.2111.7A32 D33 R34 C149 A150 G151A32-R153 CarbonylContact O-C 3.56Å; A32-R153 VanDerWaalsContact O-CA 3.25Å; A32-R153 WeakPolarHBondContact O-CA 3.42Å; D33-R153 WeakPolarHBondContact O-CD 3.44Å; D33-R153 PolarHBondContact O-NH1 3.32Å; R34-R153 HydrophobicContact CG-CB 4.3Å; C149-R153 WeakPolarHBondContact CA-O 3.14Å; A150-R153 PolarHBondContact N-O 2.78Å; A150-R153 PolarHBondContact O-N 3.39Å; G151-R153 PolarHBondContact O-N 3.12Å
154S93.4Very high93Very high7 Ų762.6 Ų62.65%0.04937%0.372CS..EExtended strand (participates in β ladder)trans-58.6136.8172.5-57.10000110.8A32 R34A32-S154 PolarHBondContact O-N 3.3Å; A32-S154 PolarHBondContact O-OG 3.48Å; R34-S154 VanDerWaalsContact CG-O 3.22Å; R34-S154 WeakPolarHBondContact CG-O 3.21Å
155V94.1Very high92.8Very high44 Ų4460 Ų6027%0.26736%0.364SS..EExtended strand (participates in β ladder)trans-92.9139176.1176.50000109.5T146 A148 A150T146-V155 WeakPolarHBondContact CB-O 3.32Å; T146-V155 PolarHBondContact N-O 3.04Å; T146-V155 WeakPolarHBondContact OG1-CB 3.33Å; T146-V155 PolarHBondContact OG1-O 3.41Å; A148-V155 HydrophobicContact CB-CB 4.39Å; A148-V155 HydrophobicContact CB-CG2 4.46Å; A148-V155 PolarHBondContact O-N 2.04Å; A148-V155 VanDerWaalsContact O-N 3.1Å; A150-V155 HydrophobicContact CB-CG2 3.66Å
156Y94.8Very high92.8Very high31 Ų3155.8 Ų55.812%0.12235%0.35CS..EExtended strand (participates in β ladder)trans-117.6143.4179.6-71.7-106.8000110.8D33 R34 L39 L143 R144 R145D33-Y156 PolarHBondContact OD1-OH 2.86Å; R34-Y156 HydrophobicContact CB-CD2 4.46Å; R34-Y156 HydrophobicContact CB-CE2 4.09Å; R34-Y156 HydrophobicContact CG-CD2 4.13Å; R34-Y156 HydrophobicContact CG-CE2 4.09Å; L39-Y156 HydrophobicContact CD1-CE1 4.19Å; L39-Y156 HydrophobicContact CD1-CE2 4.3Å; L39-Y156 HydrophobicContact CD2-CD1 3.89Å; L39-Y156 HydrophobicContact CD2-CD2 3.69Å; L39-Y156 HydrophobicContact CD2-CE1 4.09Å; L39-Y156 HydrophobicContact CD2-CE2 3.91Å; L39-Y156 HydrophobicContact CD2-CG 3.68Å; L143-Y156 HydrophobicContact CB-CD1 4.11Å; R144-Y156 CarbonylContact O-C 3.6Å; R144-Y156 VanDerWaalsContact O-CA 3.24Å; R144-Y156 WeakPolarHBondContact O-CA 3.44Å; R145-Y156 HydrophobicContact CB-CD1 4.13Å; R145-Y156 HydrophobicContact CB-CE1 3.73Å; R145-Y156 HydrophobicContact CG-CE1 4.31Å; R145-Y156 HydrophobicContact CG-CE2 4.28Å
157T95.1Very high92.9Very high71 Ų7154.7 Ų54.744%0.43634%0.344SS..EExtended strand (participates in β ladder)trans-126.9148.5177.452.30000110.4L143 R144 T146L143-T157 CarbonylContact C-O 3.58Å; L143-T157 WeakPolarHBondContact CA-O 2.93Å; R144-T157 PolarHBondContact N-O 2.95Å; R144-T157 PolarHBondContact O-N 3.22Å; T146-T157 HydrophobicContact CG2-CG2 3.6Å
158E93.8Very high93.2Very high89 Ų8951.2 Ų51.242%0.41632%0.32SS..EExtended strand (participates in β ladder)trans-60.4139.1170.9-176.3-179.1178.600111.2L46 V141 Y160L46-E158 HydrophobicContact CD1-CB 4.14Å; L46-E158 HydrophobicContact CD1-CG 4.09Å; L46-E158 HydrophobicContact CD2-CG 4.38Å; L46-E158 WeakPolarHBondContact CD2-OE2 2.96Å; V141-E158 HydrophobicContact CG2-CG 3.64Å; E158-Y160 HydrophobicContact CG-CE2 4.15Å; E158-Y160 WeakPolarHBondContact OE1-CE2 3.49Å; E158-Y160 PolarHBondContact OE1-OH 3.11Å
159A93.6Very high93.4Very high28 Ų2850.5 Ų50.523%0.23131%0.311CS..EExtended strand (participates in β ladder)trans-146.2155.4169.500000109.7V141 V142 R144V141-A159 CarbonylContact C-O 3.54Å; V142-A159 HydrophobicContact CG2-CB 4.18Å; V142-A159 WeakPolarHBondContact CG2-O 3.4Å; V142-A159 PolarHBondContact N-O 3.41Å; V142-A159 PolarHBondContact O-N 3.33Å; V142-A159 VanDerWaalsContact O-O 3.11Å; R144-A159 HydrophobicContact CB-CB 4.28Å; R144-A159 HydrophobicContact CG-CB 3.58Å
160Y92.1Very high93.6Very high150 Ų15049.7 Ų49.759%0.58831%0.305SS*.EExtended strand (participates in β ladder)trans-107.3132.7173.6-70.6-94.7000109.7T140 V141 E158T140-Y160 WeakPolarHBondContact O-CA 3.09Å; V141-Y160 HydrophobicContact CB-CD1 4.31Å; V141-Y160 HydrophobicContact CB-CE1 3.9Å; V141-Y160 HydrophobicContact CG2-CE1 4.33Å; E158-Y160 HydrophobicContact CG-CE2 4.15Å; E158-Y160 WeakPolarHBondContact OE1-CE2 3.49Å; E158-Y160 PolarHBondContact OE1-OH 3.11Å
161V91.8Very high93.8Very high27 Ų2752 Ų5216%0.16432%0.316CS..EExtended strand (participates in β ladder)trans-121.8141173.6-61.90000109.3L109 T140 V142 I163L109-V161 HydrophobicContact CD2-CG2 4.49Å; T140-V161 PolarHBondContact N-O 2.78Å; T140-V161 PolarHBondContact O-N 2.96Å; V142-V161 HydrophobicContact CG1-CG2 3.71Å; V142-V161 HydrophobicContact CG2-CG1 3.85Å; V142-V161 HydrophobicContact CG2-CG2 4.18Å; V161-I163 HydrophobicContact CG2-CG2 4.11Å
162T92.6Very high93.4Very high100 Ų10053.8 Ų53.861%0.61330%0.301SS*.EExtended strand (participates in β ladder)trans-88.3120.6176.7-57.40000109.1Y137Y137-T162 HydrophobicContact CD1-CG2 3.79Å; Y137-T162 HydrophobicContact CG-CG2 4Å
163I92Very high92.4Very high13 Ų1355.4 Ų55.47%0.06730%0.302CS..EExtended strand (participates in β ladder)trans-119.7143.8178.768.1176000111.2L109 Y137 M138 T140 V161 V165L109-I163 HydrophobicContact CD2-CD1 4.01Å; L109-I163 HydrophobicContact CD2-CG2 3.81Å; Y137-I163 WeakPolarHBondContact CA-O 3.05Å; M138-I163 PolarHBondContact N-O 3.03Å; M138-I163 PolarHBondContact O-N 3.48Å; T140-I163 HydrophobicContact CG2-CD1 4.2Å; T140-I163 WeakPolarHBondContact OG1-CD1 3.47Å; T140-I163 WeakPolarHBondContact OG1-CG1 3.06Å; V161-I163 HydrophobicContact CG2-CG2 4.11Å; I163-V165 HydrophobicContact CD1-CG1 4.28Å; I163-V165 HydrophobicContact CG1-CG1 4Å; I163-V165 PolarHBondContact O-N 3.06Å
164P95.1Very high91.1Very high12 Ų1259.1 Ų59.18%0.07832%0.324CS..EExtended strand (participates in β ladder)trans-73.8123.7168.530-31.7000109.5E111 A112 P135 V136 Y137E111-P164 HydrophobicContact CB-CG 3.96Å; E111-P164 HydrophobicContact CG-CG 4.47Å; A112-P164 HydrophobicContact CB-CB 4.29Å; A112-P164 WeakPolarHBondContact CB-O 3.47Å; A112-P164 PolarHBondContact N-O 3.1Å; A112-P164 WeakPolarHBondContact O-CB 3.44Å; A112-P164 WeakPolarHBondContact O-CG 3.49Å; P135-P164 HydrophobicContact CB-CB 4.08Å; V136-P164 CarbonylContact O-C 3.44Å; V136-P164 WeakPolarHBondContact O-CA 3.41Å; Y137-P164 HydrophobicContact CD1-CB 4.15Å; Y137-P164 HydrophobicContact CE1-CB 3.97Å; Y137-P164 HydrophobicContact CE1-CG 4.35Å
165V92.8Very high89.4Confident19 Ų1967.9 Ų67.912%0.11536%0.361CS..EExtended strand (participates in β ladder)trans-101.8-16.6-177.7-66.50000113.3F54 Y96 V136 M138 I163F54-V165 HydrophobicContact CD1-CG1 4.48Å; F54-V165 HydrophobicContact CE1-CB 3.74Å; F54-V165 HydrophobicContact CE1-CG1 3.56Å; F54-V165 HydrophobicContact CZ-CB 3.97Å; F54-V165 HydrophobicContact CZ-CG1 3.58Å; Y96-V165 PolarHBondContact OH-O 3.14Å; V136-V165 HydrophobicContact CB-CG2 4.43Å; V136-V165 HydrophobicContact CG1-CG2 4.27Å; V136-V165 WeakPolarHBondContact O-CG2 3.37Å; V136-V165 PolarHBondContact O-N 2.88Å; M138-V165 HydrophobicContact CB-CG1 3.7Å; M138-V165 HydrophobicContact CB-CG2 4.2Å; M138-V165 HydrophobicContact SD-CG1 4.48Å; I163-V165 HydrophobicContact CD1-CG1 4.28Å; I163-V165 HydrophobicContact CG1-CG1 4Å; I163-V165 PolarHBondContact O-N 3.06Å
166G94.4Very high87.2Confident6 Ų671.7 Ų71.76%0.06238%0.38CS..EExtended strand (participates in β ladder)trans-177.1-168.9177.400000110.9P135 V136P135-G166 CarbonylContact C-O 3.58Å; P135-G166 WeakPolarHBondContact CA-O 3.44Å; V136-G166 PolarHBondContact N-O 2.76Å
167C96.8Very high85.1Confident9 Ų974.6 Ų74.66%0.06141%0.41CS..EExtended strand (participates in β ladder)trans-124.8145.3173.4-65.50000110.8S92 W94 C114 A134S92-C167 WeakPolarHBondContact O-CB 3.06Å; S92-C167 VanDerWaalsContact OG-C 3.28Å; S92-C167 PolarHBondContact OG-O 3.09Å; W94-C167 HydrophobicContact CB-CB 4.12Å; W94-C167 HydrophobicContact CE3-CB 4.27Å; C114-C167 WeakPolarHBondContact CA-SG 3.21Å; C114-C167 HydrophobicContact CB-CB 3.97Å; C114-C167 WeakPolarHBondContact CB-SG 3.23Å; C114-C167 PolarHBondContact N-SG 3.25Å; C114-C167 WeakPolarHBondContact SG-CB 3.46Å; C114-C167 CovalentContact SG-SG 2.04Å; C114-C167 PolarHBondContact SG-SG 3.19Å; A134-C167 CarbonylContact O-C 3.55Å; A134-C167 VanDerWaalsContact O-CA 3.29Å; A134-C167 WeakPolarHBondContact O-CA 3.09Å
168T97.4Very high83Confident62 Ų6277.9 Ų77.938%0.3843%0.425SS..EExtended strand (participates in β ladder)trans-120.6163.1173.9-168.90000110.2S92 S133 A134 V136 V170S92-T168 WeakPolarHBondContact OG-CA 3.26Å; S92-T168 PolarHBondContact OG-N 3.27Å; S133-T168 CarbonylContact C-O 3.56Å; S133-T168 WeakPolarHBondContact CA-O 3.47Å; A134-T168 HydrophobicContact CB-CG2 4.49Å; A134-T168 PolarHBondContact N-O 3.44Å; A134-T168 PolarHBondContact O-N 3Å; V136-T168 HydrophobicContact CG2-CG2 3.59Å; T168-V170 HydrophobicContact CG2-CG1 4.1Å
169C96.9Very high81Confident36 Ų3678.4 Ų78.424%0.24344%0.439CS..EExtended strand (participates in β ladder)trans-100.2124.7176-172.70000110.1V91 S92 C119 F131V91-C169 HydrophobicContact CG2-CB 4.03Å; S92-C169 PolarHBondContact OG-N 3.08Å; C119-C169 HydrophobicContact CB-CB 3.98Å; C119-C169 WeakPolarHBondContact CB-SG 3.46Å; C119-C169 WeakPolarHBondContact SG-CA 3.43Å; C119-C169 WeakPolarHBondContact SG-CB 3.46Å; C119-C169 CovalentContact SG-SG 2.03Å; C119-C169 PolarHBondContact SG-SG 3.13Å; F131-C169 VanDerWaalsContact CB-SG 3.56Å
170V96.4Very high79.2Confident51 Ų5183.4 Ų83.431%0.30946%0.46SS..EExtended strand (participates in β ladder)trans-125.5153.4176.4-61.80000110F131 R132 A134 T168F131-V170 CarbonylContact C-O 3.59Å; F131-V170 VanDerWaalsContact CA-O 3.27Å; F131-V170 WeakPolarHBondContact CA-O 3.49Å; F131-V170 WeakPolarHBondContact CB-O 3.27Å; R132-V170 HydrophobicContact CB-CG2 4.12Å; R132-V170 PolarHBondContact N-O 3.01Å; R132-V170 WeakPolarHBondContact O-CG2 3.04Å; R132-V170 PolarHBondContact O-N 2.88Å; A134-V170 HydrophobicContact CB-CG2 3.94Å; T168-V170 HydrophobicContact CG2-CG1 4.1Å
171P93.6Very high77.5Confident94 Ų9483.2 Ų83.261%0.6147%0.469SS*.EExtended strand (participates in β ladder)trans-55.8144.9167.9-22.333.8000110.7
172E81.9Confident75.5Confident123 Ų12388 Ų8858%0.57550%0.504SS*.PPolyproline II helixtrans-61.4127.7170.4-166.6176.1-160.500108.3R130 E174R130-E172 WeakPolarHBondContact O-CB 3.27Å; R130-E172 PolarHBondContact O-N 3.19Å; E172-E174 PolarHBondContact O-N 3.11Å
173P69.9Low73.7Confident86 Ų8688.2 Ų88.256%0.55851%0.509SS*.PPolyproline II helixtrans-62.5126.8172.725.9-31.2000107.4K175P173-K175 PolarHBondContact O-N 3.08Å
174E64.3Low71.9Confident184 Ų18494.8 Ų94.886%0.8654%0.543SS*.  trans-50.8111.4168.6-72.5172.5175.100106.6E172 D176E172-E174 PolarHBondContact O-N 3.11Å; E174-D176 VanDerWaalsContact C-N 3.34Å; E174-D176 PolarHBondContact O-N 2.86Å
175K58.3Low69.5Low191 Ų191101.1 Ų101.183%0.8358%0.576SS**  trans-63.3105.4174.9-178.6-175.9178.3-172.90104.9P173 A177P173-K175 PolarHBondContact O-N 3.08Å; K175-A177 PolarHBondContact O-N 2.85Å
176D48Very low67.1Low124 Ų124109.8 Ų109.866%0.66361%0.612SS**  trans-38.7117.8179.2-62.6-51.6000108.7E174 D178E174-D176 VanDerWaalsContact C-N 3.34Å; E174-D176 PolarHBondContact O-N 2.86Å; D176-D178 HydrophobicContact CB-CB 4.13Å; D176-D178 PolarHBondContact O-N 3.34Å
177A50.2Low64.5Low91 Ų91115.2 Ų115.275%0.75265%0.647SS**SBendtrans-67.526.5171.400000111.6K175K175-A177 PolarHBondContact O-N 2.85Å
178D51.5Low61.6Low141 Ų141118.6 Ų118.675%0.75468%0.683SS**  trans-110.926.7-170.1-67.7-21.9000112.6D176D176-D178 HydrophobicContact CB-CB 4.13Å; D176-D178 PolarHBondContact O-N 3.34Å
179S51.7Low58.8Low100 Ų100120.2 Ų120.270%0.69970%0.703SS**SBendtrans-110.48.7165.359.10000113.8
180I56.4Low55.9Low133 Ų133127.7 Ų127.768%0.68273%0.732SS**SBendtrans-118.9106.8173.2-53.6-178.1000107.5
181N54.5Low53Low145 Ų145131.8 Ų131.878%0.77575%0.751SS**SBendtrans10343.2165.7-51.9-27.1000120.2
182S50Low50.3Low128 Ų128135.9 Ų135.990%0.89577%0.766SS**SBendtrans-110.749.4156.6-630000111.6
183S56.4Low48Very low104 Ų104137.9 Ų137.973%0.72778%0.78SS**  trans-159.871175.4164.60000109.2
184I53.8Low46.3Very low152 Ų152137.2 Ų137.278%0.77979%0.789SS**SBendtrans-153.3110.7156.1-108.8152.4000108.4
185D44.6Very low45.7Very low144 Ų144133.7 Ų133.777%0.7778%0.782SS**  trans62.896.3152.9-50.7-44.9000120.7P187D185-P187 WeakPolarHBondContact O-CD 3.14Å
186K41.4Very low44.7Very low201 Ų201131.3 Ų131.387%0.87478%0.779SS**  trans-94.5105.9154.5-174.4174.2-174170.80108.4G188K186-G188 PolarHBondContact O-N 3.39Å
187P40.3Very low44Very low120 Ų120132.9 Ų132.978%0.77979%0.787SS**  trans-69.9121.3171.126.8-30.4000109.3D185D185-P187 WeakPolarHBondContact O-CD 3.14Å
188G36.6Very low43.5Very low81 Ų81133 Ų13384%0.83579%0.788SS**  trans-67.7127.3179.700000112K186K186-G188 PolarHBondContact O-N 3.39Å
189A38.4Very low43.2Very low96 Ų96131.9 Ų131.979%0.79379%0.788SS**  trans-127106.9167.400000109.6
190K34.9Very low42.4Very low193 Ų193131.9 Ų131.984%0.83979%0.794SS**  trans169.9107.6141.8-102.5176.5166.3174.40108.4
191L36.6Very low42Very low137 Ų137129 Ų12972%0.71780%0.797SS**  64.6105.992.6-96148.9000112.9L193L191-L193 HydrophobicContact CD2-CD1 4.42Å
192L36.6Very low41.7Very low179 Ų179132 Ų13294%0.93783%0.825SS**  trans-145.7133.5139-73.3-175.4000110
193L34.3Very low41.3Very low165 Ų165132.2 Ų132.286%0.86482%0.821SS**  trans-76.5157.8178.9-71.291.7000112.7L191L191-L193 HydrophobicContact CD2-CD1 4.42Å
194G34.6Very low40.5Very low72 Ų72133.6 Ų133.674%0.74283%0.826SS**  trans153.5146.1152.700000115
195P50.7Low39.8Very low111 Ų111132.6 Ų132.672%0.72183%0.829SS**  trans-120-176.9-136.440.1-26.6000116.3
196N36.7Very low39.5Very low140 Ų140131.9 Ų131.975%0.74983%0.832SS**  trans93133.2169-51.7-33.1000114.1
197D33.5Very low39.4Very low158 Ų158127.6 Ų127.685%0.84583%0.829SS**  cis-149.2156.827.5-80.6-64000111.8
198A39.3Very low39.3Very low92 Ų92128.1 Ų128.176%0.7683%0.833SS**  trans-87.7-172.8166.500000110.2
199P46.5Very low39.5Very low119 Ų119131.5 Ų131.577%0.77383%0.833SS**  cis-142-169.8-2.240-18.9000115.8
200A35.1Very low39.6Very low99 Ų99134.2 Ų134.282%0.81884%0.836SS**  trans71.4110.6150.600000117.8
201G47.2Very low40Very low73 Ų73129.3 Ų129.375%0.75384%0.835SS**  105.6170.76700000108.5
202P48.5Very low40.3Very low207 Ų207128.6 Ų128.6100%1.34485%0.846SS**  cis-910-15.637.3-30.4000114

Retrieved 202 of 202 residues in 42.7 ms (Link to these results)