A0A087X588_POEFO Loading...

Ornithine decarboxylase antizyme 1

AlphaFold DB , UniProt , Accession A0A087X588, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 218 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M38.9Very low49.4Very low238 Ų23884.8 Ų84.8100%1.17244%0.444SS*.  0103.20-178.2177.5-81.400108.1K3M1-K3 PolarHBondContact O-N 3.28Å
2V34.6Very low50Low143 Ų14378.7 Ų78.787%0.86741%0.414SS*.  trans-84.9113.2-176.6-1750000108.4S4V2-S4 PolarHBondContact O-N 3.19Å
3K43.1Very low50Low160 Ų16084.1 Ų84.170%0.69644%0.435SS*.  trans-62.1124.4167.6-70178.1179.91740107M1M1-K3 PolarHBondContact O-N 3.28Å
4S53.6Low50Low60 Ų6078.9 Ų78.942%0.4241%0.41SS..  trans-63.4148.4-178680000110.1V2 L6 Q7 T8V2-S4 PolarHBondContact O-N 3.19Å; S4-L6 PolarHBondContact O-N 2.76Å; S4-L6 VanDerWaalsContact O-N 3.09Å; S4-Q7 WeakPolarHBondContact O-CA 3.39Å; S4-Q7 VanDerWaalsContact O-CB 3.3Å; S4-Q7 WeakPolarHBondContact O-CB 3.31Å; S4-Q7 PolarHBondContact O-N 2.8Å; S4-Q7 PolarHBondContact OG-N 3.37Å; S4-T8 PolarHBondContact O-N 3.22Å
5N49.5Very low49.7Very low49 Ų4977.3 Ų77.326%0.26240%0.398SS..Hα-helixtrans-58.6-25.9177.7-66.5-59.6000112.4T8 I9 R104 V105 K127N5-T8 PolarHBondContact O-N 3.49Å; N5-I9 PolarHBondContact O-N 3.38Å; N5-R104 WeakPolarHBondContact OD1-CB 3.12Å; N5-R104 PolarHBondContact OD1-N 2.95Å; N5-V105 HydrophobicContact CB-CG2 4.15Å; N5-V105 WeakPolarHBondContact O-CG2 3.32Å; N5-K127 HydrophobicContact CB-CD 4.42Å
6L49.7Very low49.1Very low49 Ų4977.2 Ų77.226%0.25740%0.402SS..Hα-helixtrans-65.1-43.1170.1-69.4167.4000111.8S4 T8 I9 L10 K127 P198S4-L6 PolarHBondContact O-N 2.76Å; S4-L6 VanDerWaalsContact O-N 3.09Å; L6-T8 PolarHBondContact O-N 3.49Å; L6-I9 WeakPolarHBondContact O-CB 3.41Å; L6-I9 PolarHBondContact O-N 3.04Å; L6-I9 VanDerWaalsContact O-N 3.11Å; L6-L10 WeakPolarHBondContact O-CG 3.16Å; L6-L10 PolarHBondContact O-N 3.43Å; L6-L10 VanDerWaalsContact O-N 3.09Å; L6-K127 HydrophobicContact CD2-CD 4.34Å; L6-P198 HydrophobicContact CD2-CB 4.41Å; L6-P198 HydrophobicContact CD2-CG 3.98Å
7Q55Low48.6Very low78 Ų7886.1 Ų86.136%0.36443%0.429SS..Hα-helixtrans-61.9-27.7175.1-16166.85600112.1S4 L10 N11S4-Q7 WeakPolarHBondContact O-CA 3.39Å; S4-Q7 VanDerWaalsContact O-CB 3.3Å; S4-Q7 WeakPolarHBondContact O-CB 3.31Å; S4-Q7 PolarHBondContact O-N 2.8Å; S4-Q7 PolarHBondContact OG-N 3.37Å; Q7-L10 PolarHBondContact O-N 2.76Å; Q7-N11 PolarHBondContact NE2-OD1 3.29Å; Q7-N11 WeakPolarHBondContact O-CB 3.48Å; Q7-N11 PolarHBondContact O-N 2.98Å; Q7-N11 PolarHBondContact O-OD1 3.03Å
8T58Low48.3Very low27 Ų2787.6 Ų87.617%0.16643%0.434CS..Hα-helixtrans-72.3-33.3174.1-50.70000112.9S4 N5 L6 L10 S12 P100 S103S4-T8 PolarHBondContact O-N 3.22Å; N5-T8 PolarHBondContact O-N 3.49Å; L6-T8 PolarHBondContact O-N 3.49Å; T8-L10 VanDerWaalsContact C-N 3.33Å; T8-S12 WeakPolarHBondContact O-CB 3.42Å; T8-S12 PolarHBondContact O-N 2.95Å; T8-P100 HydrophobicContact CG2-CG 3.76Å; T8-S103 WeakPolarHBondContact CG2-OG 3.3Å
9I57.7Low47.6Very low7 Ų793.3 Ų93.34%0.03646%0.456CS..Hα-helixtrans-63.3-42.6168.1-67.4162.2000110.3N5 L6 S12 V105 A125 K127 Y132N5-I9 PolarHBondContact O-N 3.38Å; L6-I9 WeakPolarHBondContact O-CB 3.41Å; L6-I9 PolarHBondContact O-N 3.04Å; L6-I9 VanDerWaalsContact O-N 3.11Å; I9-S12 PolarHBondContact O-OG 2.83Å; I9-V105 HydrophobicContact CD1-CG1 4.1Å; I9-V105 HydrophobicContact CD1-CG2 4.13Å; I9-V105 HydrophobicContact CG1-CB 4.27Å; I9-V105 HydrophobicContact CG1-CG1 3.52Å; I9-V105 HydrophobicContact CG1-CG2 3.93Å; I9-A125 HydrophobicContact CG1-CB 4.11Å; I9-A125 HydrophobicContact CG2-CB 4.37Å; I9-K127 HydrophobicContact CD1-CB 4.19Å; I9-K127 HydrophobicContact CD1-CD 3.56Å; I9-Y132 HydrophobicContact CD1-CD2 4.48Å
10L53.6Low46.9Very low32 Ų3297.6 Ų97.617%0.16848%0.476CS..Hα-helixtrans-73.3-30.2-177.4-64.5178.4000113.6L6 Q7 T8 P198 R200L6-L10 WeakPolarHBondContact O-CG 3.16Å; L6-L10 PolarHBondContact O-N 3.43Å; L6-L10 VanDerWaalsContact O-N 3.09Å; Q7-L10 PolarHBondContact O-N 2.76Å; T8-L10 VanDerWaalsContact C-N 3.33Å; L10-P198 HydrophobicContact CD1-CB 4.07Å; L10-P198 HydrophobicContact CD2-CB 3.76Å; L10-P198 HydrophobicContact CG-CB 4.04Å; L10-R200 HydrophobicContact CD2-CG 3.65Å
11N49.9Very low46.3Very low90 Ų90103.2 Ų103.248%0.48149%0.492SS..Hα-helixtrans-97.6-7.9-177.8-67.87.1000113.8Q7Q7-N11 PolarHBondContact NE2-OD1 3.29Å; Q7-N11 WeakPolarHBondContact O-CB 3.48Å; Q7-N11 PolarHBondContact O-N 2.98Å; Q7-N11 PolarHBondContact O-OD1 3.03Å
12S56.2Low46.1Very low11 Ų1197 Ų978%0.07747%0.469CS..SBendtrans-73.4169.2173.377.70000110.7T8 I9 C14 F107T8-S12 WeakPolarHBondContact O-CB 3.42Å; T8-S12 PolarHBondContact O-N 2.95Å; I9-S12 PolarHBondContact O-OG 2.83Å; S12-C14 PolarHBondContact O-N 3.27Å; S12-C14 PolarHBondContact OG-SG 2.92Å; S12-F107 WeakPolarHBondContact OG-CE1 3.44Å; S12-F107 WeakPolarHBondContact OG-CZ 3.1Å
13H50.9Low45.9Very low149 Ų14999 Ų9969%0.6947%0.469SS*.THydrogen-bonded Turntrans-65.713.3179.8-72.2-82.7000115.4
14C49Very low45.4Very low12 Ų1298.9 Ų98.98%0.08147%0.473CS..THydrogen-bonded Turntrans-51.5-69.7162.1-69.60000110.2S12 R123 E134S12-C14 PolarHBondContact O-N 3.27Å; S12-C14 PolarHBondContact OG-SG 2.92Å; C14-R123 VanDerWaalsContact N-NH1 3.13Å; C14-R123 PolarHBondContact SG-NH1 2.92Å; C14-E134 VanDerWaalsContact CA-OE2 3.24Å; C14-E134 WeakPolarHBondContact CA-OE2 3.06Å; C14-E134 WeakPolarHBondContact CB-OE2 3.33Å
15F45.4Very low44.4Very low55 Ų55101.6 Ų101.624%0.24149%0.489CS..THydrogen-bonded Turntrans-106.70.7-164-61.3-70.6000114.7R17 E134 C167 R200F15-R17 PolarHBondContact O-N 3.23Å; F15-E134 WeakPolarHBondContact CD1-OE1 3.31Å; F15-E134 HydrophobicContact CE1-CG 3.71Å; F15-E134 WeakPolarHBondContact CE1-OE1 3.43Å; F15-E134 HydrophobicContact CZ-CB 4.29Å; F15-E134 HydrophobicContact CZ-CG 3.84Å; F15-C167 VanDerWaalsContact CZ-SG 3.6Å; F15-R200 VanDerWaalsContact CE2-NH1 3.29Å; F15-R200 VanDerWaalsContact CE2-NH2 3.34Å; F15-R200 VanDerWaalsContact CZ-NH1 3.32Å
16V39.9Very low43.5Very low75 Ų75105.7 Ų105.746%0.45552%0.515SS..G310 helixtrans-69.1-23.1-178.3177.50000112.2E18 K19V16-E18 PolarHBondContact O-N 2.75Å; V16-K19 PolarHBondContact O-N 3.24Å
17R40.9Very low42.8Very low229 Ų229109.8 Ų109.886%0.86454%0.536SS*.G310 helixtrans-75.2-13.8-166.6-151.7174.5175.5-170.6-1.9115.4F15F15-R17 PolarHBondContact O-N 3.23Å
18E43.8Very low41.7Very low112 Ų112114.5 Ų114.552%0.52356%0.558SS.*G310 helixtrans-87-5.2176.8-68.5-163.7154.700114.2V16 S137V16-E18 PolarHBondContact O-N 2.75Å; E18-S137 PolarHBondContact OE1-OG 2.97Å
19K35.6Very low40.4Very low196 Ų196121.9 Ų121.985%0.85259%0.591SS**G310 helixtrans-86.1-3.5179.4-148.9-171.2171.3-175.60114.6V16V16-K19 PolarHBondContact O-N 3.24Å
20E32.7Very low39.1Very low180 Ų180126.8 Ų126.884%0.84163%0.626SS**  trans-101.573.5167.3-70.7-170.715800110.3P22E20-P22 WeakPolarHBondContact O-CD 3.47Å
21R33.7Very low38Very low215 Ų215129.8 Ų129.881%0.81165%0.65SS**  trans-66.4127.7153.3-66.5-178.6179.5-175.1-2.4106.9E23R21-E23 VanDerWaalsContact C-N 3.35Å; R21-E23 PolarHBondContact O-N 2.85Å
22P35.6Very low37Very low108 Ų108132.7 Ų132.770%0.70167%0.665SS**  trans-66.7100.616227.6-31000107.5E20 M24E20-P22 WeakPolarHBondContact O-CD 3.47Å; P22-M24 VanDerWaalsContact C-N 3.34Å; P22-M24 PolarHBondContact O-N 3.09Å
23E30.3Very low35.9Very low185 Ų185141.6 Ų141.686%0.86470%0.702SS**  trans-62.299.7164.8-81.3-169.5141.400108R21 P25R21-E23 VanDerWaalsContact C-N 3.35Å; R21-E23 PolarHBondContact O-N 2.85Å; E23-P25 WeakPolarHBondContact O-CD 3.27Å
24M32.5Very low35.3Very low157 Ų157139.5 Ų139.577%0.77370%0.702SS**  trans-72.9120.9165-58.7-172.6-167.700107.1P22 V26P22-M24 VanDerWaalsContact C-N 3.34Å; P22-M24 PolarHBondContact O-N 3.09Å; M24-V26 PolarHBondContact O-N 3.3Å; M24-V26 VanDerWaalsContact O-N 3.12Å
25P31.8Very low34.3Very low118 Ų118145.8 Ų145.877%0.76673%0.73SS**  trans-65.7116.9178.725.5-32.5000109.5E23 I27E23-P25 WeakPolarHBondContact O-CD 3.27Å; P25-I27 PolarHBondContact O-N 3.25Å; P25-I27 VanDerWaalsContact O-N 3.11Å
26V31.1Very low33.5Very low134 Ų134152.4 Ų152.481%0.81275%0.754SS**  trans-69106171.7176.10000108M24 E28M24-V26 PolarHBondContact O-N 3.3Å; M24-V26 VanDerWaalsContact O-N 3.12Å; V26-E28 PolarHBondContact O-N 2.83Å
27I35.7Very low32.8Very low135 Ų135158.7 Ų158.769%0.69277%0.771SS**  trans-85.6105.9163.8-66.9176.1000106.9P25 Q29P25-I27 PolarHBondContact O-N 3.25Å; P25-I27 VanDerWaalsContact O-N 3.11Å; I27-Q29 PolarHBondContact O-N 3.36Å
28E32.2Very low32.1Very low177 Ų177152.2 Ų152.283%0.82776%0.761SS**  trans-63.3131.4162-69.4-169.5136.800109.3V26V26-E28 PolarHBondContact O-N 2.83Å
29Q30.2Very low31.3Very low182 Ų182154.2 Ų154.285%0.8577%0.773SS**  trans-150128.9157.4-124160.985.300111I27I27-Q29 PolarHBondContact O-N 3.36Å
30S29.9Very low30.9Very low111 Ų111150 Ų15078%0.77677%0.769SS**  trans-87.9142.5-168.7560000113.2
31S30.6Very low30.9Very low95 Ų95146.9 Ų146.966%0.66477%0.767SS**  trans84.5136.4143.6-1420000120.7
32N28.9Very low31.2Very low150 Ų150141.8 Ų141.880%0.80276%0.761SS**  trans74.8116.5151.7-62-23.3000121.9
33K32.3Very low31.2Very low198 Ų198147.6 Ų147.686%0.86177%0.769SS**  trans-66.5168.5147.3-86.7-178176.4178.80110.2
34P39.1Very low31.2Very low105 Ų105150.5 Ų150.568%0.68277%0.772SS**  cis-145.517525.743.2-23.5000119.1
35E28.2Very low31.6Very low145 Ų145149.3 Ų149.368%0.67878%0.778SS**  trans74.2137.9138.9-98.7-177-144.700125.5
36R27.9Very low31.6Very low194 Ų194148.7 Ų148.773%0.73278%0.776SS**  trans89.9116.8149.2-67.5175.5-154.2-134.1-2.8123
37Y25.8Very low31.8Very low207 Ų207153.6 Ų153.681%0.81278%0.78SS**  trans48.7118.1133.6-64.8-68.6000123.3
38S26.6Very low31.6Very low93 Ų93151.9 Ų151.965%0.6578%0.779SS**  79.4125.5119.3-65.40000123.2
39I27.1Very low31.7Very low154 Ų154149.2 Ų149.279%0.7978%0.779SS**  trans87.9126.5136.9-65.8163.3000119.8
40S26.7Very low32.2Very low108 Ų108145.3 Ų145.376%0.75577%0.772SS**  trans71.2128.3150.276.50000123.6
41S31.8Very low32.6Very low114 Ų114147.8 Ų147.880%0.79778%0.776SS**  trans-67.4154.5141.6-97.80000109.9
42P41.2Very low33.3Very low107 Ų107148.6 Ų148.670%0.69578%0.779SS**  -156.2172.657.441-19.7000119.2
43R34.5Very low33.6Very low230 Ų230147.6 Ų147.687%0.86878%0.782SS**  trans21124.5144.5-53.4173.9-165.5-125.95.6119.4
44R31.3Very low34.3Very low247 Ų247144.4 Ų144.493%0.93278%0.782SS**  174.7150.9109.4-96173.7-159.8-122.94.8113.1
45C40.4Very low34.3Very low132 Ų132143 Ų14389%0.89279%0.787SS**  trans-88.8150.7166.9-65.50000112
46S32.3Very low35.3Very low105 Ų105142.3 Ų142.373%0.73480%0.795SS**  trans-160117.2153.150.80000107.9
47R35.1Very low36.2Very low236 Ų236139.3 Ų139.389%0.89179%0.792SS**  60.5138.3104.4-68-166.2176.4-144.11114.2
48C31.7Very low36.7Very low99 Ų99140.1 Ų140.167%0.66979%0.794SS**  cis-165.7-1640.7-109.80000108.6
49C34Very low37.1Very low122 Ų122141 Ų14182%0.82480%0.799SS**  trans96.992.5-179.2-57.20000112.2
50S39.4Very low38.3Very low100 Ų100141.9 Ų141.970%0.69981%0.805SS**  cis7390.845.8-44.40000114.2
51N39.1Very low39.3Very low163 Ų163140.6 Ų140.687%0.87280%0.802SS**  -166.1159.8113.1-100.9-0.3000112.9
52P46.3Very low39.9Very low112 Ų112141.3 Ų141.373%0.72780%0.803SS**  trans-107.8159.6-164.739.7-32.6000114.6
53C33.9Very low40.5Very low129 Ų129144 Ų14487%0.87281%0.811SS**  trans-118.6137.8160.8-71.30000109.8
54P47.5Very low41.4Very low131 Ų131138.2 Ų138.285%0.85180%0.803SS**  trans-100.6128.4-168.735.7-33.1000115.9
55G40Very low42.3Very low76 Ų76132.2 Ų132.278%0.78480%0.796SS**  trans78169.1151.600000118.7
56P47.6Very low42.8Very low130 Ų130134.5 Ų134.584%0.84480%0.799SS**  cis-116.6171.95.840.7-30.6000116.1
57L46.6Very low43.6Very low130 Ų130138.2 Ų138.268%0.68180%0.802SS**  trans-56.9155.5160-145.662.5000109.5
58W36.5Very low44.5Very low224 Ų224134.7 Ų134.785%0.84880%0.799SS**  cis-139.6-170.723.3-5165.4000109.1
59C36.6Very low45.1Very low113 Ų113135.1 Ų135.176%0.76480%0.8SS**  cis-145.2166.511.3-79.20000110.3
60D50.9Low45.8Very low171 Ų171133 Ų13391%0.91480%0.799SS**  trans-50.7132.5165.3-74.3-82.8000114.3
61A48.8Very low46Very low82 Ų82131.2 Ų131.268%0.67880%0.797SS**  trans-141.4126.8156.300000108.4L63A61-L63 PolarHBondContact O-N 3.34Å
62P45Very low46.7Very low128 Ų128134.9 Ų134.983%0.83180%0.799SS**PPolyproline II helixtrans-66.7125.6179.327.2-33000109.8
63L52.5Low46.6Very low164 Ų164131.5 Ų131.586%0.85978%0.784SS**PPolyproline II helixtrans-54.3124.4176.3-67.8165.6000110A61A61-L63 PolarHBondContact O-N 3.34Å
64P52.9Low47.4Very low109 Ų109130.6 Ų130.671%0.70877%0.771SS**PPolyproline II helixtrans-62.3132.9167.926.8-32.5000108.1L66P64-L66 PolarHBondContact O-N 3.26Å
65P50.3Low47.7Very low121 Ų121131.5 Ų131.579%0.78677%0.768SS**PPolyproline II helixtrans-64.8122.8-170.423.4-33000111.3K67P65-K67 PolarHBondContact O-N 3.38Å
66L50.8Low48Very low180 Ų180134.2 Ų134.294%0.94276%0.761SS**  trans-6874.4170.4-76.8168.3000110.9P64P64-L66 PolarHBondContact O-N 3.26Å
67K49.1Very low47.9Very low182 Ų182136.5 Ų136.579%0.79175%0.752SS**  trans-13679.6162.8-90.7-176175175.70108.6P65 P69P65-K67 PolarHBondContact O-N 3.38Å; K67-P69 WeakPolarHBondContact O-CD 3.33Å
68I54.5Low47.9Very low162 Ų162137.4 Ų137.483%0.83176%0.758SS**  trans-78.5107.9141.4-57.8176.7000104G70I68-G70 PolarHBondContact O-N 3.26Å
69P44.2Very low48.5Very low108 Ų108133.8 Ų133.870%0.70174%0.744SS**  trans-59.8127.4170.5-14.629.9000106.4K67 G71K67-P69 WeakPolarHBondContact O-CD 3.33Å; P69-G71 PolarHBondContact O-N 3.33Å
70G49Very low49.4Very low77 Ų77132.4 Ų132.479%0.79473%0.729SS**  trans-49.4105.5-176.700000109.9I68 R72I68-G70 PolarHBondContact O-N 3.26Å; G70-R72 PolarHBondContact O-N 3.45Å
71G43.3Very low49.4Very low64 Ų64132.7 Ų132.766%0.6673%0.729SS**  trans-70.582.7-175.200000108.6P69 G73P69-G71 PolarHBondContact O-N 3.33Å; G71-G73 PolarHBondContact O-N 3.05Å
72R54.4Low50.1Low240 Ų240131 Ų13191%0.90671%0.713SS**  trans-68.179.2169.2-159.5174.5-168.9169.22.5106.5G70 N74G70-R72 PolarHBondContact O-N 3.45Å; R72-N74 PolarHBondContact O-N 2.84Å
73G44.3Very low51.6Low41 Ų41126.1 Ų126.142%0.42368%0.683SS.*  trans-57.7105.4169.100000106.5G71G71-G73 PolarHBondContact O-N 3.05Å
74N51.2Low53.2Low110 Ų110122.6 Ų122.659%0.58867%0.669SS**  trans-62.2133.5154.1-167.217.6000105.7R72 Q76 R77R72-N74 PolarHBondContact O-N 2.84Å; N74-Q76 HydrophobicContact CB-CB 4.3Å; N74-Q76 PolarHBondContact O-N 3.06Å; N74-R77 PolarHBondContact O-N 2.83Å
75D53.8Low55Low149 Ų149122.9 Ų122.980%0.79766%0.664SS**G310 helixtrans-58.5-10.3-175.4-56.6-85.7000113.1R77D75-R77 PolarHBondContact O-N 2.97Å
76Q45.3Very low57Low134 Ų134120.8 Ų120.863%0.62664%0.642SS**G310 helixtrans-54.86.6163.5-147.673.651.500116.5N74N74-Q76 HydrophobicContact CB-CB 4.3Å; N74-Q76 PolarHBondContact O-N 3.06Å
77R45.8Very low58.9Low178 Ų178115.2 Ų115.267%0.67261%0.609SS**G310 helixtrans-100-10.2-179.4-140.6-177.9-76.2-172.9-3.7114.8N74 D75N74-R77 PolarHBondContact O-N 2.83Å; D75-R77 PolarHBondContact O-N 2.97Å
78D46.5Very low61Low149 Ų149109.1 Ų109.180%0.79759%0.59SS**  trans-98.418.2176.7-64.7-11.6000112.9N80D78-N80 VanDerWaalsContact C-N 3.35Å; D78-N80 PolarHBondContact O-N 3.49Å
79R50.3Low62.8Low148 Ų148103.9 Ų103.956%0.55856%0.563SS**SBendtrans-68.295.8169.3-168.4175.1-164.5166.18.7108.2L81 E111R79-L81 PolarHBondContact O-N 2.69Å; R79-E111 IonicContact NH2-OE2 3.44Å
80N55.1Low64.9Low83 Ų83102 Ų10244%0.44456%0.557SS.*  trans-23.396.1-178.2-108.5-48.6000112.8D78 S82 A83D78-N80 VanDerWaalsContact C-N 3.35Å; D78-N80 PolarHBondContact O-N 3.49Å; N80-S82 PolarHBondContact O-N 2.9Å; N80-A83 HydrophobicContact CB-CB 4.05Å; N80-A83 PolarHBondContact O-N 2.69Å
81L50.6Low66.8Low177 Ų177103.6 Ų103.693%0.92754%0.543SS*.THydrogen-bonded Turntrans-66.9-3.7-173.5-69.4170.1000113.5R79R79-L81 PolarHBondContact O-N 2.69Å
82S62.8Low69.1Low47 Ų47100.8 Ų100.833%0.32951%0.513SS..THydrogen-bonded Turntrans-104.9-1.5178.154.30000114.3N80 S98N80-S82 PolarHBondContact O-N 2.9Å; S82-S98 WeakPolarHBondContact CB-OG 3.33Å; S82-S98 PolarHBondContact O-N 2.99Å
83A76.1Confident71Confident26 Ų2690.9 Ų90.922%0.21548%0.478CS..EExtended strand (participates in β ladder)trans-89.7115.6-178.500000111.6N80 L95 E96 L109N80-A83 HydrophobicContact CB-CB 4.05Å; N80-A83 PolarHBondContact O-N 2.69Å; A83-L95 HydrophobicContact CB-CB 4.14Å; A83-L95 HydrophobicContact CB-CD1 4.48Å; A83-E96 CarbonylContact C-O 3.52Å; A83-E96 VanDerWaalsContact CA-O 3.31Å; A83-E96 WeakPolarHBondContact CA-O 3.49Å; A83-L109 HydrophobicContact CB-CD1 4.35Å
84T87.5Confident73.3Confident89 Ų8988.9 Ų88.955%0.54646%0.458SS..EExtended strand (participates in β ladder)trans-93.7148.717748.30000111.4F86 L95 E96T84-F86 PolarHBondContact O-N 3.44Å; T84-L95 CarbonylContact O-C 3.58Å; T84-L95 VanDerWaalsContact O-CA 3.32Å; T84-L95 WeakPolarHBondContact O-CA 3.41Å; T84-E96 PolarHBondContact N-O 3.24Å; T84-E96 PolarHBondContact O-N 3.11Å; T84-E96 PolarHBondContact OG1-O 3.33Å
85L90.8Very high75.3Confident116 Ų11684.6 Ų84.661%0.60744%0.435SS*.EExtended strand (participates in β ladder)trans-62.7121.1174.6178.861.2000110.6Y87 L93 L95L85-Y87 VanDerWaalsContact CD1-O 3.32Å; L85-Y87 WeakPolarHBondContact CD1-O 3.42Å; L85-L93 HydrophobicContact CD1-CD1 3.39Å; L85-L95 HydrophobicContact CB-CD2 4.45Å; L85-L95 HydrophobicContact CD1-CD2 3.97Å
86F90.9Very high77Confident76 Ų7679 Ų7933%0.33340%0.404SS..EExtended strand (participates in β ladder)trans-98.6-43.9173.5-179.8-117.9000111.7T84 V94 E96 L108 F154 L159T84-F86 PolarHBondContact O-N 3.44Å; F86-V94 WeakPolarHBondContact CA-O 3.37Å; F86-V94 HydrophobicContact CB-CG1 4.46Å; F86-V94 WeakPolarHBondContact CB-O 3.35Å; F86-V94 HydrophobicContact CD1-CB 4.4Å; F86-V94 HydrophobicContact CD1-CG1 3.99Å; F86-V94 PolarHBondContact N-O 2.84Å; F86-E96 HydrophobicContact CB-CB 4.1Å; F86-L108 HydrophobicContact CD1-CD2 4.04Å; F86-L108 HydrophobicContact CG-CD2 4.32Å; F86-F154 HydrophobicContact CD1-CZ 4.04Å; F86-F154 HydrophobicContact CE1-CE1 4.19Å; F86-F154 AromaticContact CE1-CZ 3.79Å; F86-F154 HydrophobicContact CE1-CZ 3.79Å; F86-L159 HydrophobicContact CE1-CD2 3.85Å; F86-L159 HydrophobicContact CZ-CD2 4.31Å
87Y92.3Very high79Confident64 Ų6473.6 Ų73.625%0.25138%0.378SS..EExtended strand (participates in β ladder)trans-154.2154.1179.4175.2-90.2000111.6L85 D89 V94 F154 Q158L85-Y87 VanDerWaalsContact CD1-O 3.32Å; L85-Y87 WeakPolarHBondContact CD1-O 3.42Å; Y87-D89 HydrophobicContact CE1-CB 3.85Å; Y87-D89 VanDerWaalsContact CE1-OD2 3.28Å; Y87-D89 WeakPolarHBondContact CE1-OD2 3.32Å; Y87-D89 PolarHBondContact OH-OD2 2.79Å; Y87-D89 VanDerWaalsContact OH-OD2 3.12Å; Y87-V94 HydrophobicContact CD1-CG2 4.25Å; Y87-V94 PolarHBondContact N-O 2.85Å; Y87-V94 PolarHBondContact O-N 2.87Å; Y87-F154 AromaticContact CD1-CD2 3.91Å; Y87-F154 HydrophobicContact CD1-CD2 3.91Å; Y87-F154 AromaticContact CD1-CE2 3.38Å; Y87-F154 HydrophobicContact CD1-CE2 3.38Å; Y87-F154 HydrophobicContact CD1-CZ 4.34Å; Y87-F154 AromaticContact CD2-CE2 3.86Å; Y87-F154 HydrophobicContact CD2-CE2 3.86Å; Y87-F154 AromaticContact CE1-CD2 3.94Å; Y87-F154 HydrophobicContact CE1-CD2 3.94Å; Y87-F154 AromaticContact CE1-CE2 3.79Å; Y87-F154 HydrophobicContact CE1-CE2 3.79Å; Y87-F154 HydrophobicContact CE2-CE2 4.21Å; Y87-F154 HydrophobicContact CG-CD2 4.35Å; Y87-F154 AromaticContact CG-CE2 3.41Å; Y87-F154 HydrophobicContact CG-CE2 3.41Å; Y87-F154 VanDerWaalsContact CG-CE2 3.41Å; Y87-F154 HydrophobicContact CG-CZ 4.11Å; Y87-Q158 HydrophobicContact CE2-CG 4.29Å
88S92.9Very high80.3Confident54 Ų5468.4 Ų68.438%0.37837%0.369SS..EExtended strand (participates in β ladder)trans-156.4130.7171.7166.40000111.1L92 R113S88-L92 WeakPolarHBondContact CA-O 3.46Å; S88-R113 PolarHBondContact OG-NH1 2.8Å
89D90.9Very high81.2Confident52 Ų5264.5 Ų64.528%0.27835%0.352SS..  trans-124.4-154.2169.665.929.9000111Y87 H91 L92 R113Y87-D89 HydrophobicContact CE1-CB 3.85Å; Y87-D89 VanDerWaalsContact CE1-OD2 3.28Å; Y87-D89 WeakPolarHBondContact CE1-OD2 3.32Å; Y87-D89 PolarHBondContact OH-OD2 2.79Å; Y87-D89 VanDerWaalsContact OH-OD2 3.12Å; D89-H91 WeakPolarHBondContact OD1-CA 3.47Å; D89-H91 PolarHBondContact OD1-N 2.8Å; D89-L92 PolarHBondContact N-O 2.9Å; D89-L92 PolarHBondContact OD1-N 3.24Å; D89-R113 VanDerWaalsContact O-CD 3.27Å; D89-R113 WeakPolarHBondContact O-CD 3.46Å; D89-R113 PolarHBondContact O-NE 2.76Å; D89-R113 PolarHBondContact O-NH1 2.93Å
90A89Confident81.8Confident69 Ų6960.2 Ų60.257%0.5734%0.343SS*.SBendtrans-74.4-27.1176.700000114.7
91H89.6Confident81.7Confident110 Ų11060.9 Ų60.951%0.50936%0.36SS..SBendtrans-116.4-24.4-167.7-59.4-60.3000113.9D89 R113 L150D89-H91 WeakPolarHBondContact OD1-CA 3.47Å; D89-H91 PolarHBondContact OD1-N 2.8Å; H91-R113 PolarHBondContact O-N 2.81Å; H91-L150 HydrophobicContact CB-CD1 3.99Å; H91-L150 HydrophobicContact CB-CD2 3.9Å
92L91.7Very high82.1Confident4 Ų460.4 Ų60.42%0.02136%0.359CS..EExtended strand (participates in β ladder)trans-137141.2-172.1-175.464.1000111.5S88 D89 V94 F110 F154S88-L92 WeakPolarHBondContact CA-O 3.46Å; D89-L92 PolarHBondContact N-O 2.9Å; D89-L92 PolarHBondContact OD1-N 3.24Å; L92-V94 HydrophobicContact CD1-CG2 4.47Å; L92-V94 HydrophobicContact CD2-CG2 3.82Å; L92-V94 HydrophobicContact CG-CG2 3.86Å; L92-F110 HydrophobicContact CD1-CB 4.15Å; L92-F110 HydrophobicContact CD1-CD1 4.22Å; L92-F110 HydrophobicContact CD2-CD1 4.17Å; L92-F154 HydrophobicContact CD2-CB 3.71Å; L92-F154 HydrophobicContact CD2-CD2 3.85Å; L92-F154 HydrophobicContact CD2-CG 3.87Å
93L93Very high82.3Confident32 Ų3259.2 Ų59.217%0.16835%0.351CS..EExtended strand (participates in β ladder)trans-123.4124170.4173.368.6000107.3L85 L95 E111 R113L85-L93 HydrophobicContact CD1-CD1 3.39Å; L93-L95 HydrophobicContact CD1-CD2 4.05Å; L93-L95 HydrophobicContact CD2-CD2 4.38Å; L93-L95 HydrophobicContact CG-CD2 4.06Å; L93-L95 HydrophobicContact CG-CG 4.41Å; L93-E111 HydrophobicContact CB-CB 4.17Å; L93-E111 WeakPolarHBondContact CB-O 3.32Å; L93-E111 HydrophobicContact CD2-CB 4.34Å; L93-E111 WeakPolarHBondContact CD2-OE2 3.27Å; L93-E111 HydrophobicContact CG-CB 4.5Å; L93-E111 PolarHBondContact N-O 3Å; L93-E111 PolarHBondContact O-N 2.89Å; L93-R113 HydrophobicContact CB-CG 4.03Å
94V93.3Very high82.4Confident0 Ų067.7 Ų67.70%038%0.377CS..EExtended strand (participates in β ladder)trans-115.3123.3177.6-169.20000109.5F86 Y87 L92 L108 L109 F110 F154F86-V94 WeakPolarHBondContact CA-O 3.37Å; F86-V94 HydrophobicContact CB-CG1 4.46Å; F86-V94 WeakPolarHBondContact CB-O 3.35Å; F86-V94 HydrophobicContact CD1-CB 4.4Å; F86-V94 HydrophobicContact CD1-CG1 3.99Å; F86-V94 PolarHBondContact N-O 2.84Å; Y87-V94 HydrophobicContact CD1-CG2 4.25Å; Y87-V94 PolarHBondContact N-O 2.85Å; Y87-V94 PolarHBondContact O-N 2.87Å; L92-V94 HydrophobicContact CD1-CG2 4.47Å; L92-V94 HydrophobicContact CD2-CG2 3.82Å; L92-V94 HydrophobicContact CG-CG2 3.86Å; V94-L108 HydrophobicContact CG1-CB 4.14Å; V94-L108 HydrophobicContact CG1-CD2 4.25Å; V94-L109 CarbonylContact C-O 3.5Å; V94-L109 VanDerWaalsContact CA-O 3.29Å; V94-L109 WeakPolarHBondContact CA-O 3.48Å; V94-F110 HydrophobicContact CG1-CD1 4.48Å; V94-F110 HydrophobicContact CG1-CE1 4.39Å; V94-F110 HydrophobicContact CG1-CZ 4.42Å; V94-F110 HydrophobicContact CG2-CD1 3.9Å; V94-F110 HydrophobicContact CG2-CE1 4.11Å; V94-F154 HydrophobicContact CB-CZ 4.27Å; V94-F154 HydrophobicContact CG1-CE1 4.32Å; V94-F154 HydrophobicContact CG1-CZ 4.41Å; V94-F154 HydrophobicContact CG2-CD1 4.35Å; V94-F154 HydrophobicContact CG2-CD2 4.18Å; V94-F154 HydrophobicContact CG2-CE1 4.03Å; V94-F154 HydrophobicContact CG2-CE2 3.92Å; V94-F154 HydrophobicContact CG2-CG 4.39Å; V94-F154 HydrophobicContact CG2-CZ 3.82Å
95L92.6Very high82.3Confident20 Ų2063.5 Ų63.511%0.10535%0.351CS..EExtended strand (participates in β ladder)trans-111.3139.1176.4-48.5176.8000109.5A83 T84 L85 L93 L108 L109A83-L95 HydrophobicContact CB-CB 4.14Å; A83-L95 HydrophobicContact CB-CD1 4.48Å; T84-L95 CarbonylContact O-C 3.58Å; T84-L95 VanDerWaalsContact O-CA 3.32Å; T84-L95 WeakPolarHBondContact O-CA 3.41Å; L85-L95 HydrophobicContact CB-CD2 4.45Å; L85-L95 HydrophobicContact CD1-CD2 3.97Å; L93-L95 HydrophobicContact CD1-CD2 4.05Å; L93-L95 HydrophobicContact CD2-CD2 4.38Å; L93-L95 HydrophobicContact CG-CD2 4.06Å; L93-L95 HydrophobicContact CG-CG 4.41Å; L95-L108 CarbonylContact O-C 3.59Å; L95-L108 WeakPolarHBondContact O-CA 3.46Å; L95-L109 HydrophobicContact CB-CB 4.28Å; L95-L109 PolarHBondContact N-O 2.93Å; L95-L109 PolarHBondContact O-N 3.09Å
96E90.8Very high82.2Confident32 Ų3261.5 Ų61.515%0.1534%0.336CS..EExtended strand (participates in β ladder)trans-100.1121.2172.4177166.7-158.700110.2A83 T84 F86 R106 F107 L108A83-E96 CarbonylContact C-O 3.52Å; A83-E96 VanDerWaalsContact CA-O 3.31Å; A83-E96 WeakPolarHBondContact CA-O 3.49Å; T84-E96 PolarHBondContact N-O 3.24Å; T84-E96 PolarHBondContact O-N 3.11Å; T84-E96 PolarHBondContact OG1-O 3.33Å; F86-E96 HydrophobicContact CB-CB 4.1Å; E96-R106 VanDerWaalsContact CD-NH2 3.34Å; E96-R106 WeakPolarHBondContact OE1-CB 3.24Å; E96-R106 VanDerWaalsContact OE1-CG 3.27Å; E96-R106 WeakPolarHBondContact OE1-CG 3.29Å; E96-R106 IonicContact OE1-CZ 3.53Å; E96-R106 IonicContact OE1-NE 3.53Å; E96-R106 PolarHBondContact OE1-NE 2.75Å; E96-R106 IonicContact OE1-NH2 3.58Å; E96-R106 IonicContact OE2-CZ 3.5Å; E96-R106 IonicContact OE2-NE 2.69Å; E96-R106 PolarHBondContact OE2-NE 2.86Å; E96-R106 IonicContact OE2-NH2 3.49Å; E96-R106 PolarHBondContact OE2-NH2 2.83Å; E96-F107 CarbonylContact C-O 3.57Å; E96-F107 WeakPolarHBondContact CA-O 3.28Å; E96-L108 HydrophobicContact CB-CD2 3.93Å; E96-L108 HydrophobicContact CG-CD2 4.29Å
97E86.5Confident82.1Confident19 Ų1958 Ų589%0.08932%0.32CS..EExtended strand (participates in β ladder)trans-72.2137.9171.4-59.3176.4-179.800110.3P99 F107 L109 R123E97-P99 VanDerWaalsContact O-N 3.13Å; E97-F107 HydrophobicContact CB-CB 4.11Å; E97-F107 HydrophobicContact CG-CB 4.4Å; E97-F107 PolarHBondContact N-O 3.11Å; E97-L109 HydrophobicContact CG-CD1 3.84Å; E97-L109 HydrophobicContact CG-CG 4.22Å; E97-R123 IonicContact OE1-CZ 2.76Å; E97-R123 IonicContact OE1-NE 3.72Å; E97-R123 PolarHBondContact OE1-NE 3.44Å; E97-R123 IonicContact OE1-NH2 3.49Å; E97-R123 PolarHBondContact OE1-NH2 2.96Å; E97-R123 IonicContact OE2-CZ 3.3Å; E97-R123 IonicContact OE2-NE 3.21Å; E97-R123 IonicContact OE2-NH2 2.69Å; E97-R123 PolarHBondContact OE2-NH2 3.36Å
98S74.1Confident82.1Confident69 Ų6954.9 Ų54.948%0.48331%0.308SS..PPolyproline II helixtrans-50.1120.6177.3700000111.4S82S82-S98 WeakPolarHBondContact CB-OG 3.33Å; S82-S98 PolarHBondContact O-N 2.99Å
99P65.4Low82.1Confident67 Ų6753.1 Ų53.144%0.43530%0.295SS..PPolyproline II helixtrans-65.4135.5-17523.7-32.9000110.7E97 A101E97-P99 VanDerWaalsContact O-N 3.13Å; P99-A101 PolarHBondContact O-N 2.79Å
100P61.8Low82.1Confident58 Ų5850.7 Ų50.738%0.37728%0.281SS..PPolyproline II helixtrans-59.6136.1169.525.5-32.4000108.9T8 N102 S103 F107T8-P100 HydrophobicContact CG2-CG 3.76Å; P100-N102 PolarHBondContact O-N 2.89Å; P100-S103 WeakPolarHBondContact O-CB 3.4Å; P100-S103 PolarHBondContact O-N 3.49Å; P100-F107 HydrophobicContact CG-CE2 4.41Å
101A53.6Low82.2Confident97 Ų9749.7 Ų49.780%0.80227%0.265SS*.THydrogen-bonded Turntrans-47.5131.7-164.900000113.8P99 S103P99-A101 PolarHBondContact O-N 2.79Å; A101-S103 VanDerWaalsContact C-N 3.34Å; A101-S103 PolarHBondContact O-N 2.8Å
102N57.8Low82.2Confident167 Ų16745 Ų4589%0.89325%0.245SC*.THydrogen-bonded Turntrans66.518.7-176.7-56.8-38.5000116.6P100P100-N102 PolarHBondContact O-N 2.89Å
103S67.6Low81.8Confident22 Ų2251 Ų5115%0.15427%0.267CS..  trans-72.5128.6170.8-175.30000112.9T8 P100 A101 V105T8-S103 WeakPolarHBondContact CG2-OG 3.3Å; P100-S103 WeakPolarHBondContact O-CB 3.4Å; P100-S103 PolarHBondContact O-N 3.49Å; A101-S103 VanDerWaalsContact C-N 3.34Å; A101-S103 PolarHBondContact O-N 2.8Å; S103-V105 PolarHBondContact O-N 3.12Å; S103-V105 WeakPolarHBondContact OG-CA 3.44Å; S103-V105 VanDerWaalsContact OG-CB 3.31Å; S103-V105 WeakPolarHBondContact OG-CB 3.49Å; S103-V105 PolarHBondContact OG-N 3.41Å; S103-V105 PolarHBondContact OG-O 3.31Å
104R78.5Confident80.9Confident205 Ų20555.4 Ų55.477%0.77428%0.281SS*.SBendtrans-85.118.4161.4-59.3-168.1-178.2-177.6-1.6113.2N5N5-R104 WeakPolarHBondContact OD1-CB 3.12Å; N5-R104 PolarHBondContact OD1-N 2.95Å
105V85.3Confident79.2Confident1 Ų162.3 Ų62.31%0.00632%0.323CS..  trans-120.9126.9-178-177.10000107.9N5 I9 S103 F107 A125 L126 K127N5-V105 HydrophobicContact CB-CG2 4.15Å; N5-V105 WeakPolarHBondContact O-CG2 3.32Å; I9-V105 HydrophobicContact CD1-CG1 4.1Å; I9-V105 HydrophobicContact CD1-CG2 4.13Å; I9-V105 HydrophobicContact CG1-CB 4.27Å; I9-V105 HydrophobicContact CG1-CG1 3.52Å; I9-V105 HydrophobicContact CG1-CG2 3.93Å; S103-V105 PolarHBondContact O-N 3.12Å; S103-V105 WeakPolarHBondContact OG-CA 3.44Å; S103-V105 VanDerWaalsContact OG-CB 3.31Å; S103-V105 WeakPolarHBondContact OG-CB 3.49Å; S103-V105 PolarHBondContact OG-N 3.41Å; S103-V105 PolarHBondContact OG-O 3.31Å; V105-F107 HydrophobicContact CG1-CE1 4.2Å; V105-F107 HydrophobicContact CG1-CE2 4.22Å; V105-F107 HydrophobicContact CG1-CZ 3.87Å; V105-A125 HydrophobicContact CG1-CB 3.85Å; V105-L126 WeakPolarHBondContact CA-O 3.45Å; V105-K127 HydrophobicContact CG1-CB 4.48Å; V105-K127 HydrophobicContact CG2-CB 4.11Å; V105-K127 HydrophobicContact CG2-CD 3.93Å; V105-K127 HydrophobicContact CG2-CG 4.08Å
106R87.8Confident77.7Confident73 Ų7369.9 Ų69.928%0.27536%0.358SS..EExtended strand (participates in β ladder)trans-102.1134.5178.3-60.3173.263.9-144.7-7.1108.1E96 A125 L126E96-R106 VanDerWaalsContact CD-NH2 3.34Å; E96-R106 WeakPolarHBondContact OE1-CB 3.24Å; E96-R106 VanDerWaalsContact OE1-CG 3.27Å; E96-R106 WeakPolarHBondContact OE1-CG 3.29Å; E96-R106 IonicContact OE1-CZ 3.53Å; E96-R106 IonicContact OE1-NE 3.53Å; E96-R106 PolarHBondContact OE1-NE 2.75Å; E96-R106 IonicContact OE1-NH2 3.58Å; E96-R106 IonicContact OE2-CZ 3.5Å; E96-R106 IonicContact OE2-NE 2.69Å; E96-R106 PolarHBondContact OE2-NE 2.86Å; E96-R106 IonicContact OE2-NH2 3.49Å; E96-R106 PolarHBondContact OE2-NH2 2.83Å; R106-A125 CarbonylContact O-C 3.44Å; R106-A125 WeakPolarHBondContact O-CA 3.43Å; R106-L126 HydrophobicContact CB-CB 4.42Å; R106-L126 PolarHBondContact N-O 2.86Å; R106-L126 PolarHBondContact O-N 3.37Å
107F90.1Very high76.3Confident2 Ų271.4 Ų71.41%0.00938%0.383CS..EExtended strand (participates in β ladder)trans-103.7123.9177.5-66.3-78.6000108.9S12 E96 E97 P100 V105 A124 A125S12-F107 WeakPolarHBondContact OG-CE1 3.44Å; S12-F107 WeakPolarHBondContact OG-CZ 3.1Å; E96-F107 CarbonylContact C-O 3.57Å; E96-F107 WeakPolarHBondContact CA-O 3.28Å; E97-F107 HydrophobicContact CB-CB 4.11Å; E97-F107 HydrophobicContact CG-CB 4.4Å; E97-F107 PolarHBondContact N-O 3.11Å; P100-F107 HydrophobicContact CG-CE2 4.41Å; V105-F107 HydrophobicContact CG1-CE1 4.2Å; V105-F107 HydrophobicContact CG1-CE2 4.22Å; V105-F107 HydrophobicContact CG1-CZ 3.87Å; F107-A124 CarbonylContact C-O 3.52Å; F107-A124 WeakPolarHBondContact CA-O 3.46Å; F107-A125 HydrophobicContact CD1-CB 3.79Å; F107-A125 HydrophobicContact CE1-CB 3.59Å
108L92.4Very high75.2Confident0 Ų078.4 Ų78.40%041%0.413CS..EExtended strand (participates in β ladder)trans-115.5134.5-175-61179.8000109.8F86 V94 L95 E96 F110 A124 L126 L159F86-L108 HydrophobicContact CD1-CD2 4.04Å; F86-L108 HydrophobicContact CG-CD2 4.32Å; V94-L108 HydrophobicContact CG1-CB 4.14Å; V94-L108 HydrophobicContact CG1-CD2 4.25Å; L95-L108 CarbonylContact O-C 3.59Å; L95-L108 WeakPolarHBondContact O-CA 3.46Å; E96-L108 HydrophobicContact CB-CD2 3.93Å; E96-L108 HydrophobicContact CG-CD2 4.29Å; L108-F110 HydrophobicContact CB-CD2 4.27Å; L108-F110 HydrophobicContact CB-CE2 3.57Å; L108-F110 HydrophobicContact CB-CZ 4.21Å; L108-F110 HydrophobicContact CD1-CE2 4.37Å; L108-F110 HydrophobicContact CD1-CZ 4.22Å; L108-A124 PolarHBondContact N-O 3.1Å; L108-A124 PolarHBondContact O-N 2.78Å; L108-L126 HydrophobicContact CD1-CB 4.25Å; L108-L126 HydrophobicContact CD1-CD2 4.28Å; L108-L159 HydrophobicContact CD1-CD1 3.89Å; L108-L159 HydrophobicContact CD1-CD2 4.23Å
109L92.3Very high75Confident17 Ų1782 Ų829%0.08942%0.422CS..EExtended strand (participates in β ladder)trans-110.5120.7174-67.8167000108.1A83 V94 L95 E97 V121 W122 R123A83-L109 HydrophobicContact CB-CD1 4.35Å; V94-L109 CarbonylContact C-O 3.5Å; V94-L109 VanDerWaalsContact CA-O 3.29Å; V94-L109 WeakPolarHBondContact CA-O 3.48Å; L95-L109 HydrophobicContact CB-CB 4.28Å; L95-L109 PolarHBondContact N-O 2.93Å; L95-L109 PolarHBondContact O-N 3.09Å; E97-L109 HydrophobicContact CG-CD1 3.84Å; E97-L109 HydrophobicContact CG-CG 4.22Å; L109-V121 HydrophobicContact CD2-CG1 4.33Å; L109-W122 WeakPolarHBondContact CA-O 3.49Å; L109-R123 HydrophobicContact CD2-CB 3.91Å; L109-R123 HydrophobicContact CD2-CG 3.66Å
110F92.1Very high75.7Confident1 Ų179.2 Ų79.20%0.00440%0.404CS..EExtended strand (participates in β ladder)trans-104.4105.7-178.4-65.3-107.7000108.7L92 V94 L108 V121 W122 A124 L131 L151 F154 L159L92-F110 HydrophobicContact CD1-CB 4.15Å; L92-F110 HydrophobicContact CD1-CD1 4.22Å; L92-F110 HydrophobicContact CD2-CD1 4.17Å; V94-F110 HydrophobicContact CG1-CD1 4.48Å; V94-F110 HydrophobicContact CG1-CE1 4.39Å; V94-F110 HydrophobicContact CG1-CZ 4.42Å; V94-F110 HydrophobicContact CG2-CD1 3.9Å; V94-F110 HydrophobicContact CG2-CE1 4.11Å; L108-F110 HydrophobicContact CB-CD2 4.27Å; L108-F110 HydrophobicContact CB-CE2 3.57Å; L108-F110 HydrophobicContact CB-CZ 4.21Å; L108-F110 HydrophobicContact CD1-CE2 4.37Å; L108-F110 HydrophobicContact CD1-CZ 4.22Å; F110-V121 WeakPolarHBondContact O-CA 3.28Å; F110-W122 HydrophobicContact CB-CB 4.14Å; F110-W122 PolarHBondContact N-O 2.82Å; F110-W122 PolarHBondContact O-N 3.38Å; F110-A124 HydrophobicContact CE2-CB 3.96Å; F110-L131 HydrophobicContact CZ-CD2 4.24Å; F110-L151 HydrophobicContact CB-CD1 4.35Å; F110-L151 HydrophobicContact CD1-CB 4.18Å; F110-L151 HydrophobicContact CD1-CD1 4.14Å; F110-L151 HydrophobicContact CD1-CG 3.92Å; F110-L151 HydrophobicContact CD2-CD1 4Å; F110-L151 HydrophobicContact CE1-CB 4.48Å; F110-L151 HydrophobicContact CE1-CD1 4.43Å; F110-L151 HydrophobicContact CE1-CG 3.92Å; F110-L151 HydrophobicContact CE2-CD1 4.32Å; F110-L151 HydrophobicContact CG-CD1 3.92Å; F110-L151 HydrophobicContact CG-CG 4.23Å; F110-L151 HydrophobicContact CZ-CG 4.25Å; F110-F154 HydrophobicContact CD1-CD1 4.46Å; F110-F154 HydrophobicContact CE1-CB 4.29Å; F110-F154 AromaticContact CE1-CD1 3.43Å; F110-F154 HydrophobicContact CE1-CD1 3.43Å; F110-F154 VanDerWaalsContact CE1-CD1 3.43Å; F110-F154 HydrophobicContact CE1-CE1 4.01Å; F110-F154 HydrophobicContact CE1-CG 4.04Å; F110-F154 HydrophobicContact CZ-CD1 4.01Å; F110-F154 HydrophobicContact CZ-CE1 4.32Å; F110-L159 HydrophobicContact CZ-CD1 4.47Å
111E90.9Very high76.9Confident47 Ų4779.5 Ų79.522%0.2240%0.404CS..EExtended strand (participates in β ladder)trans-102.9107.4178.1-61.5-171.7174.800109.3R79 L93 R113 V121R79-E111 IonicContact NH2-OE2 3.44Å; L93-E111 HydrophobicContact CB-CB 4.17Å; L93-E111 WeakPolarHBondContact CB-O 3.32Å; L93-E111 HydrophobicContact CD2-CB 4.34Å; L93-E111 WeakPolarHBondContact CD2-OE2 3.27Å; L93-E111 HydrophobicContact CG-CB 4.5Å; L93-E111 PolarHBondContact N-O 3Å; L93-E111 PolarHBondContact O-N 2.89Å; E111-R113 PolarHBondContact O-N 2.88Å; E111-V121 HydrophobicContact CG-CG1 3.93Å; E111-V121 HydrophobicContact CG-CG2 3.96Å
112P88Confident78.7Confident13 Ų1375 Ų758%0.08437%0.366CS..EExtended strand (participates in β ladder)trans-68.3133.9174.528.7-34.6000110.1R114 C120P112-R114 VanDerWaalsContact C-N 3.32Å; P112-R114 PolarHBondContact O-N 2.79Å; P112-C120 WeakPolarHBondContact CD-O 3.18Å; P112-C120 VanDerWaalsContact CG-O 3.28Å; P112-C120 WeakPolarHBondContact CG-O 3.3Å
113R84.6Confident80.3Confident130 Ų13068.9 Ų68.949%0.49133%0.331SS..  trans-87.911.7-173.9-66.1-177.654.3158.1-5114.5S88 D89 H91 L93 E111S88-R113 PolarHBondContact OG-NH1 2.8Å; D89-R113 VanDerWaalsContact O-CD 3.27Å; D89-R113 WeakPolarHBondContact O-CD 3.46Å; D89-R113 PolarHBondContact O-NE 2.76Å; D89-R113 PolarHBondContact O-NH1 2.93Å; H91-R113 PolarHBondContact O-N 2.81Å; L93-R113 HydrophobicContact CB-CG 4.03Å; E111-R113 PolarHBondContact O-N 2.88Å
114R72.7Confident81.5Confident123 Ų12367.9 Ų67.946%0.46432%0.324SS..  trans-62.4138.9-177.3-74.3-170.7171-169.60.6111.7P112 D146P112-R114 VanDerWaalsContact C-N 3.32Å; P112-R114 PolarHBondContact O-N 2.79Å; R114-D146 IonicContact CZ-OD2 3.21Å; R114-D146 IonicContact NH1-OD2 2.7Å; R114-D146 PolarHBondContact NH1-OD2 3.5Å; R114-D146 IonicContact NH2-OD2 2.87Å; R114-D146 PolarHBondContact NH2-OD2 2.8Å
115T58.7Low82.1Confident145 Ų14558.1 Ų58.189%0.8929%0.287SS*.SBendtrans-76.6-21-172.3-18.10000114.2
116E61.2Low82.4Confident179 Ų17959 Ų5984%0.83629%0.292SS*.SBendtrans-132.5136.8-176.2-61.2-165-165.400111.1
117G60.6Low82.4Confident64 Ų6457.7 Ų57.766%0.6629%0.288SS*.SBendtrans116.8-178.5-178.100000113.9
118K64.3Low82.1Confident166 Ų16660.8 Ų60.872%0.72232%0.321SS*.  trans-81.6129.3171.8-72.5-178.1179.2176.80109.5C120 P141K118-C120 PolarHBondContact O-N 2.97Å; K118-C120 VanDerWaalsContact O-N 3.1Å; K118-P141 HydrophobicContact CB-CB 4.35Å
119H69.4Low81.9Confident145 Ų14562 Ų6267%0.67133%0.332SS*.  trans-62.2114.1173.9-67.3-99.7000110.2
120C79.9Confident81.9Confident8 Ų861.8 Ų61.85%0.05433%0.332CS..  trans-101.798.3175.5-175.10000108.7P112 K118 W122 P141P112-C120 WeakPolarHBondContact CD-O 3.18Å; P112-C120 VanDerWaalsContact CG-O 3.28Å; P112-C120 WeakPolarHBondContact CG-O 3.3Å; K118-C120 PolarHBondContact O-N 2.97Å; K118-C120 VanDerWaalsContact O-N 3.1Å; C120-W122 VanDerWaalsContact SG-CZ2 3.52Å; C120-P141 HydrophobicContact CB-CG 3.57Å; C120-P141 WeakPolarHBondContact SG-CG 3.16Å
121V87.4Confident82Confident64 Ų6461.8 Ų61.839%0.38833%0.332SS..  trans-88123.7177.4-175.40000109.3L109 F110 E111L109-V121 HydrophobicContact CD2-CG1 4.33Å; F110-V121 WeakPolarHBondContact O-CA 3.28Å; E111-V121 HydrophobicContact CG-CG1 3.93Å; E111-V121 HydrophobicContact CG-CG2 3.96Å
122W91.3Very high82.1Confident2 Ų260 Ų601%0.00832%0.323CS..EExtended strand (participates in β ladder)trans-96.6135.9173.7-52.998.3000110.1L109 F110 C120 V133 I135 L140 S144 S147 F148 L151L109-W122 WeakPolarHBondContact CA-O 3.49Å; F110-W122 HydrophobicContact CB-CB 4.14Å; F110-W122 PolarHBondContact N-O 2.82Å; F110-W122 PolarHBondContact O-N 3.38Å; C120-W122 VanDerWaalsContact SG-CZ2 3.52Å; W122-V133 HydrophobicContact CB-CG1 4.28Å; W122-V133 HydrophobicContact CE3-CG1 4.22Å; W122-I135 HydrophobicContact CE3-CD1 4.48Å; W122-I135 HydrophobicContact CZ3-CD1 3.92Å; W122-L140 HydrophobicContact CH2-CD2 3.8Å; W122-L140 HydrophobicContact CZ3-CD2 4.12Å; W122-S144 WeakPolarHBondContact CZ2-O 3.48Å; W122-S147 PolarHBondContact NE1-OG 2.85Å; W122-F148 HydrophobicContact CD2-CD2 4.17Å; W122-F148 HydrophobicContact CE3-CD2 4.22Å; W122-F148 AromaticContact CH2-CD2 3.96Å; W122-F148 HydrophobicContact CH2-CD2 3.96Å; W122-F148 HydrophobicContact CZ2-CB 3.91Å; W122-F148 AromaticContact CZ2-CD2 3.91Å; W122-F148 HydrophobicContact CZ2-CD2 3.91Å; W122-F148 HydrophobicContact CZ2-CG 4.4Å; W122-F148 HydrophobicContact CZ3-CD2 4.11Å; W122-L151 HydrophobicContact CB-CD1 3.6Å; W122-L151 HydrophobicContact CG-CD1 3.88Å
123R91.1Very high82.4Confident39 Ų3959.4 Ų59.415%0.14732%0.319CS..EExtended strand (participates in β ladder)trans-110.9129.3174.9-169.1164.9-179.9-75.4-7.2109C14 E97 L109 E134C14-R123 VanDerWaalsContact N-NH1 3.13Å; C14-R123 PolarHBondContact SG-NH1 2.92Å; E97-R123 IonicContact OE1-CZ 2.76Å; E97-R123 IonicContact OE1-NE 3.72Å; E97-R123 PolarHBondContact OE1-NE 3.44Å; E97-R123 IonicContact OE1-NH2 3.49Å; E97-R123 PolarHBondContact OE1-NH2 2.96Å; E97-R123 IonicContact OE2-CZ 3.3Å; E97-R123 IonicContact OE2-NE 3.21Å; E97-R123 IonicContact OE2-NH2 2.69Å; E97-R123 PolarHBondContact OE2-NH2 3.36Å; L109-R123 HydrophobicContact CD2-CB 3.91Å; L109-R123 HydrophobicContact CD2-CG 3.66Å; R123-E134 PolarHBondContact O-N 3.19Å
124A92.4Very high82.7Confident1 Ų155.4 Ų55.41%0.00831%0.306CS..EExtended strand (participates in β ladder)trans-137.5156.7-178.700000112.3F107 L108 F110 L131 Y132 V133F107-A124 CarbonylContact C-O 3.52Å; F107-A124 WeakPolarHBondContact CA-O 3.46Å; L108-A124 PolarHBondContact N-O 3.1Å; L108-A124 PolarHBondContact O-N 2.78Å; F110-A124 HydrophobicContact CE2-CB 3.96Å; A124-L131 HydrophobicContact CB-CD1 3.67Å; A124-L131 HydrophobicContact CB-CG 4.04Å; A124-Y132 CarbonylContact C-O 3.56Å; A124-Y132 WeakPolarHBondContact CA-O 3.32Å; A124-Y132 WeakPolarHBondContact CB-O 3.31Å; A124-V133 HydrophobicContact CB-CB 4.38Å; A124-V133 HydrophobicContact CB-CG2 4.06Å
125A91.5Very high83.6Confident1 Ų149.7 Ų49.71%0.00829%0.285CS..EExtended strand (participates in β ladder)trans-110127.1170.200000109.5I9 V105 R106 F107 L131 Y132I9-A125 HydrophobicContact CG1-CB 4.11Å; I9-A125 HydrophobicContact CG2-CB 4.37Å; V105-A125 HydrophobicContact CG1-CB 3.85Å; R106-A125 CarbonylContact O-C 3.44Å; R106-A125 WeakPolarHBondContact O-CA 3.43Å; F107-A125 HydrophobicContact CD1-CB 3.79Å; F107-A125 HydrophobicContact CE1-CB 3.59Å; A125-L131 CarbonylContact O-C 3.54Å; A125-Y132 PolarHBondContact N-O 2.7Å; A125-Y132 WeakPolarHBondContact O-CD2 3.43Å; A125-Y132 PolarHBondContact O-N 3.21Å
126L90.8Very high84.8Confident19 Ų1945.4 Ų45.410%0.09926%0.259CS..EExtended strand (participates in β ladder)trans-99.3125.2173.417964.7000109.5V105 R106 L108 L131 L159V105-L126 WeakPolarHBondContact CA-O 3.45Å; R106-L126 HydrophobicContact CB-CB 4.42Å; R106-L126 PolarHBondContact N-O 2.86Å; R106-L126 PolarHBondContact O-N 3.37Å; L108-L126 HydrophobicContact CD1-CB 4.25Å; L108-L126 HydrophobicContact CD1-CD2 4.28Å; L126-L131 HydrophobicContact CB-CD1 4.17Å; L126-L131 HydrophobicContact CD1-CD1 4.38Å; L126-L159 HydrophobicContact CD1-CD1 4.32Å; L126-L159 HydrophobicContact CD2-CD1 4.27Å; L126-L159 HydrophobicContact CD2-CD2 3.86Å
127K87.9Confident85.8Confident46 Ų4640.6 Ų40.620%0.225%0.246CC..EExtended strand (participates in β ladder)trans-146.5105.4179.7175.4-177.5155.9-82.30111N5 L6 I9 V105 N130 Y132N5-K127 HydrophobicContact CB-CD 4.42Å; L6-K127 HydrophobicContact CD2-CD 4.34Å; I9-K127 HydrophobicContact CD1-CB 4.19Å; I9-K127 HydrophobicContact CD1-CD 3.56Å; V105-K127 HydrophobicContact CG1-CB 4.48Å; V105-K127 HydrophobicContact CG2-CB 4.11Å; V105-K127 HydrophobicContact CG2-CD 3.93Å; V105-K127 HydrophobicContact CG2-CG 4.08Å; K127-N130 PolarHBondContact N-O 2.76Å; K127-N130 WeakPolarHBondContact O-CB 3.37Å; K127-N130 PolarHBondContact O-N 3Å; K127-Y132 HydrophobicContact CB-CE2 4.21Å
128G85.4Confident86.9Confident67 Ų6739.4 Ų39.469%0.69123%0.233SC*.THydrogen-bonded Turntrans52.767.9171.100000112.8N130G128-N130 PolarHBondContact O-N 2.81Å; G128-N130 VanDerWaalsContact O-N 3.1Å; G128-N130 PolarHBondContact O-ND2 3.21Å
129G87.8Confident87.7Confident24 Ų2436 Ų3625%0.24724%0.235CC..THydrogen-bonded Turntrans73.1-9.8-178.400000115.6A161 D162G129-A161 CarbonylContact O-C 3.56Å; G129-A161 WeakPolarHBondContact O-CA 3.35Å; G129-A161 WeakPolarHBondContact O-CB 3.32Å; G129-D162 WeakPolarHBondContact CA-OD2 3.41Å; G129-D162 PolarHBondContact O-N 2.78Å
130N92.1Very high88.4Confident14 Ų1431.1 Ų31.18%0.07521%0.214CC..EExtended strand (participates in β ladder)trans-110.3127.6-175.7-63.3-101.4000111.1K127 G128 Y132 H163 F165K127-N130 PolarHBondContact N-O 2.76Å; K127-N130 WeakPolarHBondContact O-CB 3.37Å; K127-N130 PolarHBondContact O-N 3Å; G128-N130 PolarHBondContact O-N 2.81Å; G128-N130 VanDerWaalsContact O-N 3.1Å; G128-N130 PolarHBondContact O-ND2 3.21Å; N130-Y132 HydrophobicContact CB-CD2 4.46Å; N130-Y132 HydrophobicContact CB-CE2 3.49Å; N130-Y132 VanDerWaalsContact CB-CE2 3.49Å; N130-Y132 WeakPolarHBondContact CB-OH 3.15Å; N130-Y132 WeakPolarHBondContact O-CE2 3.45Å; N130-H163 WeakPolarHBondContact CA-O 3.09Å; N130-H163 PolarHBondContact OD1-CD2 2.86Å; N130-F165 HydrophobicContact CB-CD2 4.47Å; N130-F165 HydrophobicContact CB-CE2 4.21Å; N130-F165 WeakPolarHBondContact OD1-CE2 3.33Å
131L94.3Very high88.5Confident0 Ų032.3 Ų32.30%022%0.222CC..EExtended strand (participates in β ladder)trans-100.6130.7175.3-171.667.6000109.8F110 A124 A125 L126 V133 L151 A155 L159 H163 V164 F165F110-L131 HydrophobicContact CZ-CD2 4.24Å; A124-L131 HydrophobicContact CB-CD1 3.67Å; A124-L131 HydrophobicContact CB-CG 4.04Å; A125-L131 CarbonylContact O-C 3.54Å; L126-L131 HydrophobicContact CB-CD1 4.17Å; L126-L131 HydrophobicContact CD1-CD1 4.38Å; L131-V133 HydrophobicContact CD2-CG2 4.27Å; L131-V133 HydrophobicContact CG-CG2 4.3Å; L131-L151 HydrophobicContact CD2-CD2 3.89Å; L131-A155 HydrophobicContact CD2-CB 3.78Å; L131-L159 HydrophobicContact CD1-CD1 4.09Å; L131-L159 HydrophobicContact CD2-CD1 4.34Å; L131-H163 PolarHBondContact N-O 3.14Å; L131-V164 HydrophobicContact CB-CG2 4.42Å; L131-V164 HydrophobicContact CD2-CG1 4.48Å; L131-V164 CarbonylContact O-C 3.59Å; L131-V164 WeakPolarHBondContact O-CA 3.4Å; L131-F165 PolarHBondContact O-N 2.9Å
132Y93.3Very high88.2Confident10 Ų1037.7 Ų37.74%0.03924%0.243CC..EExtended strand (participates in β ladder)trans-119.599.1-179-57.4-101000109.4I9 A124 A125 K127 N130 F165 L196I9-Y132 HydrophobicContact CD1-CD2 4.48Å; A124-Y132 CarbonylContact C-O 3.56Å; A124-Y132 WeakPolarHBondContact CA-O 3.32Å; A124-Y132 WeakPolarHBondContact CB-O 3.31Å; A125-Y132 PolarHBondContact N-O 2.7Å; A125-Y132 WeakPolarHBondContact O-CD2 3.43Å; A125-Y132 PolarHBondContact O-N 3.21Å; K127-Y132 HydrophobicContact CB-CE2 4.21Å; N130-Y132 HydrophobicContact CB-CD2 4.46Å; N130-Y132 HydrophobicContact CB-CE2 3.49Å; N130-Y132 VanDerWaalsContact CB-CE2 3.49Å; N130-Y132 WeakPolarHBondContact CB-OH 3.15Å; N130-Y132 WeakPolarHBondContact O-CE2 3.45Å; Y132-F165 CarbonylContact C-O 3.56Å; Y132-F165 WeakPolarHBondContact CA-O 3.48Å; Y132-F165 HydrophobicContact CD1-CB 3.71Å; Y132-F165 AromaticContact CD1-CD2 3.88Å; Y132-F165 HydrophobicContact CD1-CD2 3.88Å; Y132-F165 AromaticContact CD1-CG 3.91Å; Y132-F165 HydrophobicContact CD1-CG 3.91Å; Y132-F165 HydrophobicContact CE1-CB 4.2Å; Y132-F165 AromaticContact CE1-CD2 3.55Å; Y132-F165 HydrophobicContact CE1-CD2 3.55Å; Y132-F165 HydrophobicContact CE1-CE2 4.08Å; Y132-F165 AromaticContact CE1-CG 3.86Å; Y132-F165 HydrophobicContact CE1-CG 3.86Å; Y132-F165 HydrophobicContact CG-CB 4.34Å; Y132-F165 AromaticContact CZ-CD2 3.91Å; Y132-L196 WeakPolarHBondContact CE1-O 3.26Å; Y132-L196 PolarHBondContact OH-O 3.22Å
133V94Very high87.8Confident0 Ų039.4 Ų39.40%026%0.261CS..EExtended strand (participates in β ladder)trans-86.8135.1-178.7-167.70000110.5W122 A124 L131 I135 F148 L151 V164 F165 I166 C167W122-V133 HydrophobicContact CB-CG1 4.28Å; W122-V133 HydrophobicContact CE3-CG1 4.22Å; A124-V133 HydrophobicContact CB-CB 4.38Å; A124-V133 HydrophobicContact CB-CG2 4.06Å; L131-V133 HydrophobicContact CD2-CG2 4.27Å; L131-V133 HydrophobicContact CG-CG2 4.3Å; V133-I135 HydrophobicContact CG1-CD1 4.47Å; V133-F148 HydrophobicContact CG1-CE2 4.24Å; V133-L151 HydrophobicContact CG1-CD1 4.13Å; V133-L151 HydrophobicContact CG2-CD1 4.11Å; V133-L151 HydrophobicContact CG2-CD2 3.83Å; V133-V164 HydrophobicContact CG2-CG1 4Å; V133-F165 PolarHBondContact N-O 3.3Å; V133-I166 HydrophobicContact CB-CG2 4.31Å; V133-I166 CarbonylContact O-C 3.59Å; V133-I166 WeakPolarHBondContact O-CA 3.35Å; V133-C167 PolarHBondContact O-N 3.47Å; V133-C167 PolarHBondContact O-SG 2.9Å; V133-C167 VanDerWaalsContact O-SG 3.37Å
134E90.6Very high87.6Confident46 Ų4638.4 Ų38.422%0.21526%0.26CS..EExtended strand (participates in β ladder)trans-93.7123.6172.9-176.3169.6-175.200110.1C14 F15 R123C14-E134 VanDerWaalsContact CA-OE2 3.24Å; C14-E134 WeakPolarHBondContact CA-OE2 3.06Å; C14-E134 WeakPolarHBondContact CB-OE2 3.33Å; F15-E134 WeakPolarHBondContact CD1-OE1 3.31Å; F15-E134 HydrophobicContact CE1-CG 3.71Å; F15-E134 WeakPolarHBondContact CE1-OE1 3.43Å; F15-E134 HydrophobicContact CZ-CB 4.29Å; F15-E134 HydrophobicContact CZ-CG 3.84Å; R123-E134 PolarHBondContact O-N 3.19Å
135I90.8Very high87.5Confident4 Ų445.2 Ų45.22%0.02129%0.289CS..PPolyproline II helixtrans-87.6119.6179.2-52.9-54.6000109.2W122 V133 L140 F148 I166 C167 F168 R172 L178 F182W122-I135 HydrophobicContact CE3-CD1 4.48Å; W122-I135 HydrophobicContact CZ3-CD1 3.92Å; V133-I135 HydrophobicContact CG1-CD1 4.47Å; I135-L140 HydrophobicContact CG2-CD2 3.91Å; I135-F148 HydrophobicContact CD1-CE2 4.34Å; I135-I166 HydrophobicContact CD1-CB 3.96Å; I135-I166 HydrophobicContact CD1-CG2 3.84Å; I135-I166 HydrophobicContact CG1-CB 4.01Å; I135-I166 HydrophobicContact CG1-CG2 4.45Å; I135-C167 PolarHBondContact N-O 3.32Å; I135-F168 HydrophobicContact CB-CB 4.18Å; I135-F168 HydrophobicContact CG1-CD1 4.37Å; I135-R172 PolarHBondContact O-NH1 3.35Å; I135-L178 HydrophobicContact CG2-CD1 4.5Å; I135-L178 HydrophobicContact CG2-CD2 4.18Å; I135-F182 HydrophobicContact CD1-CE1 4.4Å; I135-F182 HydrophobicContact CD1-CE2 4.08Å; I135-F182 HydrophobicContact CD1-CZ 3.63Å; I135-F182 HydrophobicContact CG1-CE2 4.18Å; I135-F182 HydrophobicContact CG1-CZ 4.25Å; I135-F182 HydrophobicContact CG2-CE2 4.41Å
136P85.4Confident87.3Confident55 Ų5548.2 Ų48.236%0.35731%0.305SS..PPolyproline II helixtrans-61.1145.6-175.325-34.3000112.1L140 R172P136-L140 HydrophobicContact CG-CD2 4.2Å; P136-R172 VanDerWaalsContact C-NH1 3.33Å; P136-R172 VanDerWaalsContact O-CZ 3.27Å; P136-R172 PolarHBondContact O-NH1 2.78Å; P136-R172 PolarHBondContact O-NH2 3.23Å
137S82.5Confident87.4Confident78 Ų7847.6 Ų47.655%0.54530%0.303SS..SBendtrans-67.3137.6179.3-68.30000111.9E18E18-S137 PolarHBondContact OE1-OG 2.97Å
138G82.1Confident87.6Confident38 Ų3845.7 Ų45.739%0.39229%0.294SS..SBendtrans91.8177.5-172.900000113.5L140 R172G138-L140 PolarHBondContact O-N 3.07Å; G138-R172 PolarHBondContact O-NH2 3.03Å
139A81.5Confident87.9Confident94 Ų9445 Ų4578%0.77728%0.282SS*.SBendtrans-60.9135.4-178.700000111.4
140L84.4Confident88.2Confident43 Ų4345 Ų4523%0.22528%0.276CS..PPolyproline II helixtrans-59.2136.5176-67.7-179.8000110.6W122 I135 P136 G138 S144 L178 F182W122-L140 HydrophobicContact CH2-CD2 3.8Å; W122-L140 HydrophobicContact CZ3-CD2 4.12Å; I135-L140 HydrophobicContact CG2-CD2 3.91Å; P136-L140 HydrophobicContact CG-CD2 4.2Å; G138-L140 PolarHBondContact O-N 3.07Å; L140-S144 WeakPolarHBondContact CB-OG 3.49Å; L140-L178 HydrophobicContact CD1-CD2 4.3Å; L140-L178 HydrophobicContact CG-CD2 4.31Å; L140-F182 HydrophobicContact CD1-CE2 4.44Å; L140-F182 HydrophobicContact CD1-CZ 4.26Å
141P82.5Confident88.3Confident33 Ų3344.3 Ų44.321%0.21427%0.273CS..PPolyproline II helixtrans-68.1158.2-179.429.4-36000111.6K118 C120 G143 S144K118-P141 HydrophobicContact CB-CB 4.35Å; C120-P141 HydrophobicContact CB-CG 3.57Å; C120-P141 WeakPolarHBondContact SG-CG 3.16Å; P141-G143 PolarHBondContact O-N 3.49Å; P141-S144 WeakPolarHBondContact O-CB 3.4Å; P141-S144 PolarHBondContact O-N 3.02Å; P141-S144 PolarHBondContact O-OG 2.9Å; P141-S144 VanDerWaalsContact O-OG 3.06Å
142E81.2Confident88.3Confident178 Ų17845.6 Ų45.683%0.83228%0.279SS*.THydrogen-bonded Turntrans-56.8138.5170-171.6170.1-164.700110.9S144E142-S144 VanDerWaalsContact C-N 3.29Å; E142-S144 PolarHBondContact O-N 3.01Å
143G82.9Confident88.4Confident37 Ų3749.9 Ų49.938%0.38130%0.299SS..THydrogen-bonded Turntrans81.5-3.9-171.600000115.3P141 K145 D146 S147P141-G143 PolarHBondContact O-N 3.49Å; G143-K145 VanDerWaalsContact C-N 3.27Å; G143-K145 PolarHBondContact O-N 3.44Å; G143-D146 PolarHBondContact O-N 3.07Å; G143-S147 PolarHBondContact O-N 3.4Å; G143-S147 PolarHBondContact O-OG 2.68Å
144S87.2Confident88.4Confident18 Ų1850.2 Ų50.213%0.12630%0.301CS..Hα-helixtrans-57.1-37177.965.20000113.4W122 L140 P141 E142 D146 S147 F148W122-S144 WeakPolarHBondContact CZ2-O 3.48Å; L140-S144 WeakPolarHBondContact CB-OG 3.49Å; P141-S144 WeakPolarHBondContact O-CB 3.4Å; P141-S144 PolarHBondContact O-N 3.02Å; P141-S144 PolarHBondContact O-OG 2.9Å; P141-S144 VanDerWaalsContact O-OG 3.06Å; E142-S144 VanDerWaalsContact C-N 3.29Å; E142-S144 PolarHBondContact O-N 3.01Å; S144-D146 PolarHBondContact O-N 2.89Å; S144-S147 WeakPolarHBondContact CA-OG 3.47Å; S144-S147 PolarHBondContact O-N 2.72Å; S144-S147 PolarHBondContact O-OG 3.48Å; S144-F148 WeakPolarHBondContact O-CB 3.22Å; S144-F148 PolarHBondContact O-N 2.93Å
145K88.5Confident88.6Confident145 Ų14548 Ų4863%0.6329%0.291SS*.Hα-helixtrans-58.3-50.2178.3-176.3-168.1173.9-167.20110.7G143 F148 A149G143-K145 VanDerWaalsContact C-N 3.27Å; G143-K145 PolarHBondContact O-N 3.44Å; K145-F148 PolarHBondContact O-N 3.14Å; K145-A149 PolarHBondContact O-N 2.93Å
146D89.2Confident88.7Confident63 Ų6352.2 Ų52.234%0.33731%0.31SS..Hα-helixtrans-71.3-37.9-176.4-64.311.9000111.5R114 G143 S144 F148 A149 L150R114-D146 IonicContact CZ-OD2 3.21Å; R114-D146 IonicContact NH1-OD2 2.7Å; R114-D146 PolarHBondContact NH1-OD2 3.5Å; R114-D146 IonicContact NH2-OD2 2.87Å; R114-D146 PolarHBondContact NH2-OD2 2.8Å; G143-D146 PolarHBondContact O-N 3.07Å; S144-D146 PolarHBondContact O-N 2.89Å; D146-F148 VanDerWaalsContact C-N 3.29Å; D146-F148 PolarHBondContact O-N 3.2Å; D146-A149 PolarHBondContact O-N 3.12Å; D146-L150 WeakPolarHBondContact O-CG 3.31Å; D146-L150 PolarHBondContact O-N 3.1Å; D146-L150 VanDerWaalsContact O-N 3.13Å
147S91Very high89Confident7 Ų755.3 Ų55.35%0.04932%0.32CS..Hα-helixtrans-69.5-27.7174.467.90000113W122 G143 S144 L151W122-S147 PolarHBondContact NE1-OG 2.85Å; G143-S147 PolarHBondContact O-N 3.4Å; G143-S147 PolarHBondContact O-OG 2.68Å; S144-S147 WeakPolarHBondContact CA-OG 3.47Å; S144-S147 PolarHBondContact O-N 2.72Å; S144-S147 PolarHBondContact O-OG 3.48Å; S147-L151 PolarHBondContact O-N 2.8Å
148F92.8Very high89.5Confident5 Ų555.8 Ų55.82%0.02231%0.314CS..Hα-helixtrans-76.7-33.6173.2-164.3-90.4000111.9W122 V133 I135 S144 K145 D146 L151 L152 I166 F182 L185 F187W122-F148 HydrophobicContact CD2-CD2 4.17Å; W122-F148 HydrophobicContact CE3-CD2 4.22Å; W122-F148 AromaticContact CH2-CD2 3.96Å; W122-F148 HydrophobicContact CH2-CD2 3.96Å; W122-F148 HydrophobicContact CZ2-CB 3.91Å; W122-F148 AromaticContact CZ2-CD2 3.91Å; W122-F148 HydrophobicContact CZ2-CD2 3.91Å; W122-F148 HydrophobicContact CZ2-CG 4.4Å; W122-F148 HydrophobicContact CZ3-CD2 4.11Å; V133-F148 HydrophobicContact CG1-CE2 4.24Å; I135-F148 HydrophobicContact CD1-CE2 4.34Å; S144-F148 WeakPolarHBondContact O-CB 3.22Å; S144-F148 PolarHBondContact O-N 2.93Å; K145-F148 PolarHBondContact O-N 3.14Å; D146-F148 VanDerWaalsContact C-N 3.29Å; D146-F148 PolarHBondContact O-N 3.2Å; F148-L151 WeakPolarHBondContact O-CB 3.31Å; F148-L151 PolarHBondContact O-N 3.42Å; F148-L152 HydrophobicContact CD1-CD1 4Å; F148-L152 HydrophobicContact CD1-CG 4.09Å; F148-L152 HydrophobicContact CE1-CD1 3.91Å; F148-L152 HydrophobicContact CE1-CD2 4.02Å; F148-L152 HydrophobicContact CE1-CG 3.91Å; F148-L152 WeakPolarHBondContact O-CG 3.47Å; F148-L152 PolarHBondContact O-N 2.72Å; F148-I166 HydrophobicContact CE2-CG2 4.01Å; F148-I166 HydrophobicContact CZ-CG2 3.63Å; F148-F182 HydrophobicContact CD1-CE1 4.28Å; F148-F182 HydrophobicContact CD2-CE1 4.33Å; F148-F182 HydrophobicContact CE1-CD1 4.37Å; F148-F182 AromaticContact CE1-CE1 3.93Å; F148-F182 HydrophobicContact CE1-CE1 3.93Å; F148-F182 AromaticContact CE2-CE1 3.98Å; F148-F182 HydrophobicContact CE2-CE1 3.98Å; F148-F182 HydrophobicContact CG-CE1 4.47Å; F148-F182 HydrophobicContact CZ-CD1 4.4Å; F148-F182 AromaticContact CZ-CE1 3.77Å; F148-F182 HydrophobicContact CZ-CE1 3.77Å; F148-L185 HydrophobicContact CD1-CD1 4.39Å; F148-F187 AromaticContact CE1-CE2 3.74Å; F148-F187 HydrophobicContact CE1-CE2 3.74Å; F148-F187 AromaticContact CE1-CZ 3.65Å; F148-F187 HydrophobicContact CE1-CZ 3.65Å; F148-F187 HydrophobicContact CZ-CE2 4.21Å; F148-F187 AromaticContact CZ-CZ 3.71Å; F148-F187 HydrophobicContact CZ-CZ 3.71Å
149A92.5Very high90Very high52 Ų5255.2 Ų55.243%0.4330%0.302SS..Hα-helixtrans-60.8-46.717100000111.6K145 D146 L151 L152 E153K145-A149 PolarHBondContact O-N 2.93Å; D146-A149 PolarHBondContact O-N 3.12Å; A149-L151 PolarHBondContact O-N 3.48Å; A149-L152 WeakPolarHBondContact O-CB 3.38Å; A149-L152 PolarHBondContact O-N 3.07Å; A149-E153 PolarHBondContact O-N 3.19Å
150L93.3Very high90.6Very high25 Ų2557.4 Ų57.413%0.13130%0.296CS..Hα-helixtrans-58.4-32.9173-68.8170.3000113H91 D146 F154H91-L150 HydrophobicContact CB-CD1 3.99Å; H91-L150 HydrophobicContact CB-CD2 3.9Å; D146-L150 WeakPolarHBondContact O-CG 3.31Å; D146-L150 PolarHBondContact O-N 3.1Å; D146-L150 VanDerWaalsContact O-N 3.13Å; L150-F154 VanDerWaalsContact O-CB 3.31Å; L150-F154 WeakPolarHBondContact O-CB 3.36Å; L150-F154 PolarHBondContact O-N 3.1Å
151L94.7Very high91Very high0 Ų055.4 Ų55.40%029%0.285CS..Hα-helixtrans-70.1-39.9174.8178.1159.6000111.6F110 W122 L131 V133 S147 F148 A149 A155F110-L151 HydrophobicContact CB-CD1 4.35Å; F110-L151 HydrophobicContact CD1-CB 4.18Å; F110-L151 HydrophobicContact CD1-CD1 4.14Å; F110-L151 HydrophobicContact CD1-CG 3.92Å; F110-L151 HydrophobicContact CD2-CD1 4Å; F110-L151 HydrophobicContact CE1-CB 4.48Å; F110-L151 HydrophobicContact CE1-CD1 4.43Å; F110-L151 HydrophobicContact CE1-CG 3.92Å; F110-L151 HydrophobicContact CE2-CD1 4.32Å; F110-L151 HydrophobicContact CG-CD1 3.92Å; F110-L151 HydrophobicContact CG-CG 4.23Å; F110-L151 HydrophobicContact CZ-CG 4.25Å; W122-L151 HydrophobicContact CB-CD1 3.6Å; W122-L151 HydrophobicContact CG-CD1 3.88Å; L131-L151 HydrophobicContact CD2-CD2 3.89Å; V133-L151 HydrophobicContact CG1-CD1 4.13Å; V133-L151 HydrophobicContact CG2-CD1 4.11Å; V133-L151 HydrophobicContact CG2-CD2 3.83Å; S147-L151 PolarHBondContact O-N 2.8Å; F148-L151 WeakPolarHBondContact O-CB 3.31Å; F148-L151 PolarHBondContact O-N 3.42Å; A149-L151 PolarHBondContact O-N 3.48Å; L151-A155 VanDerWaalsContact O-CB 3.31Å; L151-A155 WeakPolarHBondContact O-CB 2.99Å; L151-A155 PolarHBondContact O-N 2.91Å
152L94.8Very high91.4Very high27 Ų2756.6 Ų56.614%0.14129%0.29CS..Hα-helixtrans-65.7-48.4176.3-68.7175.9000111.4F148 A149 F154 A155 E156 V164 F187 Y208F148-L152 HydrophobicContact CD1-CD1 4Å; F148-L152 HydrophobicContact CD1-CG 4.09Å; F148-L152 HydrophobicContact CE1-CD1 3.91Å; F148-L152 HydrophobicContact CE1-CD2 4.02Å; F148-L152 HydrophobicContact CE1-CG 3.91Å; F148-L152 WeakPolarHBondContact O-CG 3.47Å; F148-L152 PolarHBondContact O-N 2.72Å; A149-L152 WeakPolarHBondContact O-CB 3.38Å; A149-L152 PolarHBondContact O-N 3.07Å; L152-F154 VanDerWaalsContact C-N 3.32Å; L152-F154 PolarHBondContact O-N 3.31Å; L152-A155 WeakPolarHBondContact O-CA 3.28Å; L152-A155 WeakPolarHBondContact O-CB 3.44Å; L152-A155 PolarHBondContact O-N 3.1Å; L152-E156 PolarHBondContact O-N 2.76Å; L152-V164 HydrophobicContact CD2-CB 4.19Å; L152-V164 HydrophobicContact CD2-CG1 4.06Å; L152-V164 HydrophobicContact CD2-CG2 4.07Å; L152-F187 HydrophobicContact CD2-CZ 4.14Å; L152-Y208 HydrophobicContact CD2-CD1 4.16Å
153E94.1Very high92Very high99 Ų9950.7 Ų50.746%0.46326%0.262SS..Hα-helixtrans-53.2-48173.7-177.9178.6-173.500111.1A149 A155 E156 E157A149-E153 PolarHBondContact O-N 3.19Å; E153-A155 PolarHBondContact O-N 2.88Å; E153-E156 PolarHBondContact O-N 2.81Å; E153-E157 PolarHBondContact O-N 2.83Å
154F94.4Very high92.7Very high7 Ų748.9 Ų48.93%0.03124%0.244CC..Hα-helixtrans-64.2-37.5174.2-173.5-89.6000113.6F86 Y87 L92 V94 F110 L150 L152 E156 Q158 L159F86-F154 HydrophobicContact CD1-CZ 4.04Å; F86-F154 HydrophobicContact CE1-CE1 4.19Å; F86-F154 AromaticContact CE1-CZ 3.79Å; F86-F154 HydrophobicContact CE1-CZ 3.79Å; Y87-F154 AromaticContact CD1-CD2 3.91Å; Y87-F154 HydrophobicContact CD1-CD2 3.91Å; Y87-F154 AromaticContact CD1-CE2 3.38Å; Y87-F154 HydrophobicContact CD1-CE2 3.38Å; Y87-F154 HydrophobicContact CD1-CZ 4.34Å; Y87-F154 AromaticContact CD2-CE2 3.86Å; Y87-F154 HydrophobicContact CD2-CE2 3.86Å; Y87-F154 AromaticContact CE1-CD2 3.94Å; Y87-F154 HydrophobicContact CE1-CD2 3.94Å; Y87-F154 AromaticContact CE1-CE2 3.79Å; Y87-F154 HydrophobicContact CE1-CE2 3.79Å; Y87-F154 HydrophobicContact CE2-CE2 4.21Å; Y87-F154 HydrophobicContact CG-CD2 4.35Å; Y87-F154 AromaticContact CG-CE2 3.41Å; Y87-F154 HydrophobicContact CG-CE2 3.41Å; Y87-F154 VanDerWaalsContact CG-CE2 3.41Å; Y87-F154 HydrophobicContact CG-CZ 4.11Å; L92-F154 HydrophobicContact CD2-CB 3.71Å; L92-F154 HydrophobicContact CD2-CD2 3.85Å; L92-F154 HydrophobicContact CD2-CG 3.87Å; V94-F154 HydrophobicContact CB-CZ 4.27Å; V94-F154 HydrophobicContact CG1-CE1 4.32Å; V94-F154 HydrophobicContact CG1-CZ 4.41Å; V94-F154 HydrophobicContact CG2-CD1 4.35Å; V94-F154 HydrophobicContact CG2-CD2 4.18Å; V94-F154 HydrophobicContact CG2-CE1 4.03Å; V94-F154 HydrophobicContact CG2-CE2 3.92Å; V94-F154 HydrophobicContact CG2-CG 4.39Å; V94-F154 HydrophobicContact CG2-CZ 3.82Å; F110-F154 HydrophobicContact CD1-CD1 4.46Å; F110-F154 HydrophobicContact CE1-CB 4.29Å; F110-F154 AromaticContact CE1-CD1 3.43Å; F110-F154 HydrophobicContact CE1-CD1 3.43Å; F110-F154 VanDerWaalsContact CE1-CD1 3.43Å; F110-F154 HydrophobicContact CE1-CE1 4.01Å; F110-F154 HydrophobicContact CE1-CG 4.04Å; F110-F154 HydrophobicContact CZ-CD1 4.01Å; F110-F154 HydrophobicContact CZ-CE1 4.32Å; L150-F154 VanDerWaalsContact O-CB 3.31Å; L150-F154 WeakPolarHBondContact O-CB 3.36Å; L150-F154 PolarHBondContact O-N 3.1Å; L152-F154 VanDerWaalsContact C-N 3.32Å; L152-F154 PolarHBondContact O-N 3.31Å; F154-E156 VanDerWaalsContact C-N 3.31Å; F154-Q158 HydrophobicContact CD1-CB 4.34Å; F154-Q158 HydrophobicContact CD2-CB 3.66Å; F154-Q158 HydrophobicContact CD2-CG 3.5Å; F154-Q158 VanDerWaalsContact CD2-CG 3.5Å; F154-Q158 HydrophobicContact CE1-CB 4.25Å; F154-Q158 HydrophobicContact CE2-CB 3.45Å; F154-Q158 VanDerWaalsContact CE2-CB 3.45Å; F154-Q158 HydrophobicContact CE2-CG 3.59Å; F154-Q158 HydrophobicContact CG-CB 4.1Å; F154-Q158 HydrophobicContact CG-CG 4.22Å; F154-Q158 HydrophobicContact CZ-CB 3.8Å; F154-Q158 HydrophobicContact CZ-CG 4.44Å; F154-Q158 WeakPolarHBondContact O-CB 3.39Å; F154-Q158 PolarHBondContact O-N 3.04Å; F154-L159 HydrophobicContact CD1-CD1 3.97Å; F154-L159 HydrophobicContact CD1-CD2 4.48Å; F154-L159 HydrophobicContact CD1-CG 3.82Å; F154-L159 HydrophobicContact CE1-CD1 3.86Å; F154-L159 HydrophobicContact CE1-CD2 3.71Å; F154-L159 HydrophobicContact CE1-CG 3.55Å; F154-L159 HydrophobicContact CZ-CD2 4.36Å; F154-L159 PolarHBondContact O-N 2.78Å; F154-L159 VanDerWaalsContact O-N 3.07Å
155A94.9Very high93Very high0 Ų048.2 Ų48.20%024%0.238CC..Hα-helixtrans-66.4-35.8178.700000111.8L131 L151 L152 E153 L159 Q160 A161 V164 I210L131-A155 HydrophobicContact CD2-CB 3.78Å; L151-A155 VanDerWaalsContact O-CB 3.31Å; L151-A155 WeakPolarHBondContact O-CB 2.99Å; L151-A155 PolarHBondContact O-N 2.91Å; L152-A155 WeakPolarHBondContact O-CA 3.28Å; L152-A155 WeakPolarHBondContact O-CB 3.44Å; L152-A155 PolarHBondContact O-N 3.1Å; E153-A155 PolarHBondContact O-N 2.88Å; A155-L159 WeakPolarHBondContact O-CB 3.34Å; A155-Q160 PolarHBondContact O-N 3.02Å; A155-A161 HydrophobicContact CB-CB 4.39Å; A155-A161 VanDerWaalsContact O-CB 3.31Å; A155-A161 WeakPolarHBondContact O-CB 3.41Å; A155-A161 PolarHBondContact O-N 3.34Å; A155-V164 HydrophobicContact CB-CG2 3.84Å; A155-I210 HydrophobicContact CB-CD1 4.38Å
156E93.4Very high93.3Very high93 Ų9341.3 Ų41.344%0.43521%0.208SC..Hα-helixtrans-74.8-62.9175.8-179.5172.5173.600111.7L152 E153 F154 Q160 I210L152-E156 PolarHBondContact O-N 2.76Å; E153-E156 PolarHBondContact O-N 2.81Å; F154-E156 VanDerWaalsContact C-N 3.31Å; E156-Q160 VanDerWaalsContact O-CA 3.22Å; E156-Q160 WeakPolarHBondContact O-CA 3.2Å; E156-Q160 PolarHBondContact O-N 2.99Å; E156-I210 HydrophobicContact CB-CD1 4.22Å; E156-I210 HydrophobicContact CB-CG2 4.2Å; E156-I210 HydrophobicContact CG-CG2 3.8Å
157E92.1Very high93.4Very high119 Ų11938.5 Ų38.556%0.55619%0.194SC*.Hα-helixtrans-71.5-47.1-171.7-63.6-169.2160.300113.4E153E153-E157 PolarHBondContact O-N 2.83Å
158Q92.8Very high93.4Very high89 Ų8938.3 Ų38.342%0.41619%0.192SC..THydrogen-bonded Turntrans-97.9-32-165.2-52.3-61-38.400112.4Y87 F154Y87-Q158 HydrophobicContact CE2-CG 4.29Å; F154-Q158 HydrophobicContact CD1-CB 4.34Å; F154-Q158 HydrophobicContact CD2-CB 3.66Å; F154-Q158 HydrophobicContact CD2-CG 3.5Å; F154-Q158 VanDerWaalsContact CD2-CG 3.5Å; F154-Q158 HydrophobicContact CE1-CB 4.25Å; F154-Q158 HydrophobicContact CE2-CB 3.45Å; F154-Q158 VanDerWaalsContact CE2-CB 3.45Å; F154-Q158 HydrophobicContact CE2-CG 3.59Å; F154-Q158 HydrophobicContact CG-CB 4.1Å; F154-Q158 HydrophobicContact CG-CG 4.22Å; F154-Q158 HydrophobicContact CZ-CB 3.8Å; F154-Q158 HydrophobicContact CZ-CG 4.44Å; F154-Q158 WeakPolarHBondContact O-CB 3.39Å; F154-Q158 PolarHBondContact O-N 3.04Å
159L92.1Very high93.2Very high26 Ų2641.8 Ų41.814%0.13621%0.208CC..THydrogen-bonded Turntrans-96.8-15.1175.3-58.9-177.8000113.6F86 L108 F110 L126 L131 F154 A155 A161F86-L159 HydrophobicContact CE1-CD2 3.85Å; F86-L159 HydrophobicContact CZ-CD2 4.31Å; L108-L159 HydrophobicContact CD1-CD1 3.89Å; L108-L159 HydrophobicContact CD1-CD2 4.23Å; F110-L159 HydrophobicContact CZ-CD1 4.47Å; L126-L159 HydrophobicContact CD1-CD1 4.32Å; L126-L159 HydrophobicContact CD2-CD1 4.27Å; L126-L159 HydrophobicContact CD2-CD2 3.86Å; L131-L159 HydrophobicContact CD1-CD1 4.09Å; L131-L159 HydrophobicContact CD2-CD1 4.34Å; F154-L159 HydrophobicContact CD1-CD1 3.97Å; F154-L159 HydrophobicContact CD1-CD2 4.48Å; F154-L159 HydrophobicContact CD1-CG 3.82Å; F154-L159 HydrophobicContact CE1-CD1 3.86Å; F154-L159 HydrophobicContact CE1-CD2 3.71Å; F154-L159 HydrophobicContact CE1-CG 3.55Å; F154-L159 HydrophobicContact CZ-CD2 4.36Å; F154-L159 PolarHBondContact O-N 2.78Å; F154-L159 VanDerWaalsContact O-N 3.07Å; A155-L159 WeakPolarHBondContact O-CB 3.34Å; L159-A161 PolarHBondContact O-N 2.92Å
160Q93Very high92.8Very high140 Ų14043.1 Ų43.165%0.65420%0.204SC*.  trans48.441-173.3-61.6-175.4-11.100112A155 E156 R212A155-Q160 PolarHBondContact O-N 3.02Å; E156-Q160 VanDerWaalsContact O-CA 3.22Å; E156-Q160 WeakPolarHBondContact O-CA 3.2Å; E156-Q160 PolarHBondContact O-N 2.99Å; Q160-R212 PolarHBondContact O-NH2 3.36Å
161A93.1Very high92.5Very high0 Ų046.9 Ų46.90%022%0.224CC..  trans-64.5146.3-177.600000111.2G129 A155 L159 I210G129-A161 CarbonylContact O-C 3.56Å; G129-A161 WeakPolarHBondContact O-CA 3.35Å; G129-A161 WeakPolarHBondContact O-CB 3.32Å; A155-A161 HydrophobicContact CB-CB 4.39Å; A155-A161 VanDerWaalsContact O-CB 3.31Å; A155-A161 WeakPolarHBondContact O-CB 3.41Å; A155-A161 PolarHBondContact O-N 3.34Å; L159-A161 PolarHBondContact O-N 2.92Å; A161-I210 HydrophobicContact CB-CD1 3.83Å; A161-I210 WeakPolarHBondContact O-CD1 3.28Å
162D92.6Very high92.1Very high58 Ų5848 Ų4831%0.3123%0.229SC..SBendtrans-83.6-39.7171.5-46.9-71000110.1G129 I210 R212G129-D162 WeakPolarHBondContact CA-OD2 3.41Å; G129-D162 PolarHBondContact O-N 2.78Å; D162-I210 PolarHBondContact O-N 2.91Å; D162-R212 IonicContact OD1-CZ 3.58Å; D162-R212 VanDerWaalsContact OD1-CZ 3.3Å; D162-R212 IonicContact OD1-NH1 2.83Å; D162-R212 PolarHBondContact OD1-NH1 3.01Å; D162-R212 IonicContact OD1-NH2 3.53Å; D162-R212 PolarHBondContact OD1-NH2 3.19Å
163H93.6Very high91.8Very high54 Ų5454.9 Ų54.925%0.2527%0.266CS..EExtended strand (participates in β ladder)trans-143.2141.6-177.1-52.2-73.1000112.3N130 L131 F165 Y208 S209N130-H163 WeakPolarHBondContact CA-O 3.09Å; N130-H163 PolarHBondContact OD1-CD2 2.86Å; L131-H163 PolarHBondContact N-O 3.14Å; H163-F165 HydrophobicContact CB-CD2 4.34Å; H163-F165 HydrophobicContact CB-CE2 3.69Å; H163-F165 HydrophobicContact CB-CZ 4.19Å; H163-Y208 CarbonylContact C-O 3.53Å; H163-Y208 WeakPolarHBondContact CA-O 3.26Å; H163-S209 PolarHBondContact CE1-OG 3.39Å; H163-S209 PolarHBondContact ND1-OG 2.95Å
164V95.9Very high91.6Very high0 Ų052 Ų520%025%0.253CS..EExtended strand (participates in β ladder)trans-109.5114.1169.4-176.60000108.9L131 V133 L152 A155 F187 A207 Y208 I210L131-V164 HydrophobicContact CB-CG2 4.42Å; L131-V164 HydrophobicContact CD2-CG1 4.48Å; L131-V164 CarbonylContact O-C 3.59Å; L131-V164 WeakPolarHBondContact O-CA 3.4Å; V133-V164 HydrophobicContact CG2-CG1 4Å; L152-V164 HydrophobicContact CD2-CB 4.19Å; L152-V164 HydrophobicContact CD2-CG1 4.06Å; L152-V164 HydrophobicContact CD2-CG2 4.07Å; A155-V164 HydrophobicContact CB-CG2 3.84Å; V164-F187 HydrophobicContact CG1-CE1 4.34Å; V164-F187 HydrophobicContact CG1-CZ 4.29Å; V164-F187 WeakPolarHBondContact O-CE1 3.42Å; V164-A207 CarbonylContact O-C 3.49Å; V164-A207 WeakPolarHBondContact O-CA 3.29Å; V164-Y208 PolarHBondContact N-O 3.06Å; V164-Y208 PolarHBondContact O-N 3.26Å; V164-I210 HydrophobicContact CG2-CD1 3.98Å
165F95Very high91.4Very high3 Ų357 Ų571%0.01327%0.272CS..EExtended strand (participates in β ladder)trans-94.5137.1171.3-64.2-90.9000109.9N130 L131 Y132 V133 H163 V190 L196 V197 M206 A207N130-F165 HydrophobicContact CB-CD2 4.47Å; N130-F165 HydrophobicContact CB-CE2 4.21Å; N130-F165 WeakPolarHBondContact OD1-CE2 3.33Å; L131-F165 PolarHBondContact O-N 2.9Å; Y132-F165 CarbonylContact C-O 3.56Å; Y132-F165 WeakPolarHBondContact CA-O 3.48Å; Y132-F165 HydrophobicContact CD1-CB 3.71Å; Y132-F165 AromaticContact CD1-CD2 3.88Å; Y132-F165 HydrophobicContact CD1-CD2 3.88Å; Y132-F165 AromaticContact CD1-CG 3.91Å; Y132-F165 HydrophobicContact CD1-CG 3.91Å; Y132-F165 HydrophobicContact CE1-CB 4.2Å; Y132-F165 AromaticContact CE1-CD2 3.55Å; Y132-F165 HydrophobicContact CE1-CD2 3.55Å; Y132-F165 HydrophobicContact CE1-CE2 4.08Å; Y132-F165 AromaticContact CE1-CG 3.86Å; Y132-F165 HydrophobicContact CE1-CG 3.86Å; Y132-F165 HydrophobicContact CG-CB 4.34Å; Y132-F165 AromaticContact CZ-CD2 3.91Å; V133-F165 PolarHBondContact N-O 3.3Å; H163-F165 HydrophobicContact CB-CD2 4.34Å; H163-F165 HydrophobicContact CB-CE2 3.69Å; H163-F165 HydrophobicContact CB-CZ 4.19Å; F165-V190 HydrophobicContact CD1-CG2 4.15Å; F165-V190 HydrophobicContact CE1-CG2 4.02Å; F165-L196 HydrophobicContact CE2-CB 4.27Å; F165-L196 HydrophobicContact CE2-CD1 4.47Å; F165-L196 HydrophobicContact CZ-CB 3.74Å; F165-L196 HydrophobicContact CZ-CD1 3.99Å; F165-V197 HydrophobicContact CD1-CG2 3.94Å; F165-V197 HydrophobicContact CE1-CG2 3.76Å; F165-M206 CarbonylContact C-O 3.58Å; F165-M206 VanDerWaalsContact CA-O 3.29Å; F165-M206 WeakPolarHBondContact CA-O 3.46Å; F165-A207 HydrophobicContact CD1-CB 3.69Å; F165-A207 HydrophobicContact CE1-CB 3.57Å; F165-A207 HydrophobicContact CG-CB 4.49Å; F165-A207 HydrophobicContact CZ-CB 4.29Å
166I94.3Very high91.3Very high0 Ų059.9 Ų59.90%030%0.295CS..EExtended strand (participates in β ladder)trans-104.6149162.459173.4000109.8V133 I135 F148 F182 F187 F205 M206V133-I166 HydrophobicContact CB-CG2 4.31Å; V133-I166 CarbonylContact O-C 3.59Å; V133-I166 WeakPolarHBondContact O-CA 3.35Å; I135-I166 HydrophobicContact CD1-CB 3.96Å; I135-I166 HydrophobicContact CD1-CG2 3.84Å; I135-I166 HydrophobicContact CG1-CB 4.01Å; I135-I166 HydrophobicContact CG1-CG2 4.45Å; F148-I166 HydrophobicContact CE2-CG2 4.01Å; F148-I166 HydrophobicContact CZ-CG2 3.63Å; I166-F182 HydrophobicContact CD1-CB 3.52Å; I166-F182 HydrophobicContact CD1-CD1 3.56Å; I166-F182 HydrophobicContact CD1-CD2 3.31Å; I166-F182 HydrophobicContact CD1-CE1 4.06Å; I166-F182 HydrophobicContact CD1-CE2 3.83Å; I166-F182 HydrophobicContact CD1-CG 3.17Å; I166-F182 HydrophobicContact CD1-CZ 4.19Å; I166-F182 HydrophobicContact CG2-CE1 4.39Å; I166-F187 HydrophobicContact CB-CE1 4.39Å; I166-F187 HydrophobicContact CD1-CD1 4.03Å; I166-F187 HydrophobicContact CD1-CE1 4.44Å; I166-F187 HydrophobicContact CD1-CG 4.37Å; I166-F187 HydrophobicContact CG1-CD1 3.87Å; I166-F187 HydrophobicContact CG1-CE1 4.13Å; I166-F187 HydrophobicContact CG2-CD1 4.24Å; I166-F187 HydrophobicContact CG2-CE1 3.63Å; I166-F187 HydrophobicContact CG2-CZ 4.08Å; I166-F205 WeakPolarHBondContact O-CA 3.06Å; I166-M206 HydrophobicContact CD1-CB 3.94Å; I166-M206 HydrophobicContact CD1-CG 4.3Å; I166-M206 HydrophobicContact CD1-SD 3.97Å; I166-M206 HydrophobicContact CG1-CB 3.69Å; I166-M206 HydrophobicContact CG1-CG 4.35Å; I166-M206 PolarHBondContact N-O 3.06Å; I166-M206 PolarHBondContact O-N 2.93Å; I166-M206 VanDerWaalsContact O-N 3.1Å
167C91.3Very high91.2Very high5 Ų558.4 Ų58.43%0.03430%0.296CS..EExtended strand (participates in β ladder)trans-144.5146175.162.90000113.8F15 V133 I135 F204 F205F15-C167 VanDerWaalsContact CZ-SG 3.6Å; V133-C167 PolarHBondContact O-N 3.47Å; V133-C167 PolarHBondContact O-SG 2.9Å; V133-C167 VanDerWaalsContact O-SG 3.37Å; I135-C167 PolarHBondContact N-O 3.32Å; C167-F204 VanDerWaalsContact CA-O 3.26Å; C167-F204 WeakPolarHBondContact CA-O 3.47Å; C167-F205 HydrophobicContact CB-CD1 3.49Å; C167-F205 VanDerWaalsContact CB-CD1 3.49Å; C167-F205 HydrophobicContact CB-CE1 3.51Å; C167-F205 HydrophobicContact CB-CG 4.18Å; C167-F205 HydrophobicContact CB-CZ 4.23Å
168F90.6Very high91.2Very high2 Ų253 Ų531%0.00927%0.27CS..EExtended strand (participates in β ladder)trans-154.9162.4-179.256.1-95.3000111.3I135 R175 L178 L179 A203 F204I135-F168 HydrophobicContact CB-CB 4.18Å; I135-F168 HydrophobicContact CG1-CD1 4.37Å; F168-R175 HydrophobicContact CE2-CB 4.43Å; F168-R175 HydrophobicContact CE2-CG 3.97Å; F168-R175 HydrophobicContact CZ-CG 4.48Å; F168-L178 HydrophobicContact CD1-CD1 4.18Å; F168-L178 HydrophobicContact CD2-CD1 4.08Å; F168-L178 HydrophobicContact CE1-CB 4.3Å; F168-L178 HydrophobicContact CE1-CD1 4.4Å; F168-L178 HydrophobicContact CE2-CD1 4.32Å; F168-L178 HydrophobicContact CG-CD1 4.02Å; F168-L178 HydrophobicContact CZ-CB 4.33Å; F168-L178 HydrophobicContact CZ-CD1 4.47Å; F168-L179 HydrophobicContact CZ-CD2 4.03Å; F168-L179 HydrophobicContact CZ-CG 4.49Å; F168-A203 WeakPolarHBondContact O-CA 3.49Å; F168-F204 HydrophobicContact CD2-CB 4.05Å; F168-F204 HydrophobicContact CE1-CB 4.46Å; F168-F204 HydrophobicContact CE1-CD1 4.24Å; F168-F204 HydrophobicContact CE2-CB 3.61Å; F168-F204 HydrophobicContact CE2-CD1 4.3Å; F168-F204 HydrophobicContact CE2-CG 4.07Å; F168-F204 HydrophobicContact CZ-CB 3.85Å; F168-F204 AromaticContact CZ-CD1 3.71Å; F168-F204 HydrophobicContact CZ-CD1 3.71Å; F168-F204 AromaticContact CZ-CG 3.96Å; F168-F204 HydrophobicContact CZ-CG 3.96Å; F168-F204 PolarHBondContact N-O 2.92Å; F168-F204 PolarHBondContact O-N 3.45Å
169H88.1Confident91.2Very high78 Ų7850.5 Ų50.536%0.36126%0.26SS..EExtended strand (participates in β ladder)trans-67.7132.9-179.7-168.155000112.5N171 R172 D202H169-N171 PolarHBondContact NE2-ND2 3.05Å; H169-N171 PolarHBondContact O-N 3.5Å; H169-R172 HydrophobicContact CB-CG 4.33Å; H169-R172 WeakPolarHBondContact O-CG 3.36Å; H169-R172 PolarHBondContact O-N 3.34Å; H169-D202 VanDerWaalsContact CE1-CB 3.41Å; H169-D202 WeakPolarHBondContact CE1-CB 3.1Å; H169-D202 PolarHBondContact ND1-O 3.34Å; H169-D202 VanDerWaalsContact ND1-O 3.1Å
170K85.6Confident91.2Very high81 Ų8156.3 Ų56.335%0.35228%0.28SS..THydrogen-bonded Turntrans-68.5-19.6-170.777.9-171.2176.7176.30114.8R175 P201 D202K170-R175 PolarHBondContact O-NH1 3.14Å; K170-P201 VanDerWaalsContact CD-O 3.28Å; K170-P201 WeakPolarHBondContact CD-O 3.48Å; K170-P201 WeakPolarHBondContact CE-O 3.33Å; K170-P201 PolarHBondContact NZ-O 3.46Å; K170-D202 WeakPolarHBondContact CB-O 3.19Å; K170-D202 WeakPolarHBondContact CG-O 3.31Å; K170-D202 PolarHBondContact N-O 2.96Å
171N85.6Confident91.2Very high103 Ų10352.8 Ų52.855%0.55127%0.268SS*.THydrogen-bonded Turntrans-95.419.2-176.2-59.4-26.8000112.8H169H169-N171 PolarHBondContact NE2-ND2 3.05Å; H169-N171 PolarHBondContact O-N 3.5Å
172R86Confident91.3Very high24 Ų2452.9 Ų52.99%0.09127%0.269CS..  trans-74.7134.7176-81.5176.770.6148.35112.3I135 P136 G138 H169 D174 R175I135-R172 PolarHBondContact O-NH1 3.35Å; P136-R172 VanDerWaalsContact C-NH1 3.33Å; P136-R172 VanDerWaalsContact O-CZ 3.27Å; P136-R172 PolarHBondContact O-NH1 2.78Å; P136-R172 PolarHBondContact O-NH2 3.23Å; G138-R172 PolarHBondContact O-NH2 3.03Å; H169-R172 HydrophobicContact CB-CG 4.33Å; H169-R172 WeakPolarHBondContact O-CG 3.36Å; H169-R172 PolarHBondContact O-N 3.34Å; R172-D174 VanDerWaalsContact C-N 3.28Å; R172-D174 WeakPolarHBondContact CB-OD1 3.49Å; R172-D174 IonicContact CZ-OD1 3.53Å; R172-D174 IonicContact CZ-OD2 2.75Å; R172-D174 IonicContact NE-OD1 3.37Å; R172-D174 PolarHBondContact NE-OD1 3.18Å; R172-D174 IonicContact NE-OD2 2.7Å; R172-D174 IonicContact NH2-OD1 3.66Å; R172-D174 PolarHBondContact NH2-OD1 3.06Å; R172-D174 IonicContact NH2-OD2 2.74Å; R172-D174 PolarHBondContact NH2-OD2 2.82Å; R172-D174 PolarHBondContact O-N 3.13Å; R172-R175 HydrophobicContact CB-CB 4.5Å; R172-R175 WeakPolarHBondContact O-CB 3.19Å; R172-R175 PolarHBondContact O-N 3.12Å
173D88.6Confident91.4Very high172 Ų17253.8 Ų53.892%0.9228%0.279SS*.THydrogen-bonded Turntrans-63.6-34.7175.7-58.9-45.1000112R175D173-R175 VanDerWaalsContact C-N 3.28Å; D173-R175 PolarHBondContact O-N 2.86Å
174D89.9Confident91.4Very high37 Ų3759.6 Ų59.620%0.19830%0.304CS..THydrogen-bonded Turntrans-82.73.617968.3-39.3000114.1R172 A176 S177 L178R172-D174 VanDerWaalsContact C-N 3.28Å; R172-D174 WeakPolarHBondContact CB-OD1 3.49Å; R172-D174 IonicContact CZ-OD1 3.53Å; R172-D174 IonicContact CZ-OD2 2.75Å; R172-D174 IonicContact NE-OD1 3.37Å; R172-D174 PolarHBondContact NE-OD1 3.18Å; R172-D174 IonicContact NE-OD2 2.7Å; R172-D174 IonicContact NH2-OD1 3.66Å; R172-D174 PolarHBondContact NH2-OD1 3.06Å; R172-D174 IonicContact NH2-OD2 2.74Å; R172-D174 PolarHBondContact NH2-OD2 2.82Å; R172-D174 PolarHBondContact O-N 3.13Å; D174-A176 VanDerWaalsContact C-N 3.3Å; D174-A176 PolarHBondContact O-N 3.4Å; D174-A176 VanDerWaalsContact O-N 3.17Å; D174-S177 WeakPolarHBondContact O-CA 3.49Å; D174-S177 WeakPolarHBondContact O-CB 3.44Å; D174-S177 PolarHBondContact O-N 3.3Å; D174-L178 PolarHBondContact O-N 3.37Å
175R91.3Very high91.1Very high114 Ų11462.3 Ų62.343%0.4332%0.318SS..Hα-helixtrans-46.9-49-179.3174.1179.582.5-153.23.7113.2F168 K170 R172 D173 S177 L178 L179F168-R175 HydrophobicContact CE2-CB 4.43Å; F168-R175 HydrophobicContact CE2-CG 3.97Å; F168-R175 HydrophobicContact CZ-CG 4.48Å; K170-R175 PolarHBondContact O-NH1 3.14Å; R172-R175 HydrophobicContact CB-CB 4.5Å; R172-R175 WeakPolarHBondContact O-CB 3.19Å; R172-R175 PolarHBondContact O-N 3.12Å; D173-R175 VanDerWaalsContact C-N 3.28Å; D173-R175 PolarHBondContact O-N 2.86Å; R175-S177 PolarHBondContact O-N 3.28Å; R175-L178 PolarHBondContact O-N 3.37Å; R175-L179 HydrophobicContact CG-CD1 3.99Å; R175-L179 HydrophobicContact CG-CG 4.21Å; R175-L179 VanDerWaalsContact O-CG 3.31Å; R175-L179 WeakPolarHBondContact O-CG 3.46Å; R175-L179 PolarHBondContact O-N 3.2Å
176A91.8Very high91.1Very high59 Ų5964.3 Ų64.349%0.48834%0.34SS..Hα-helixtrans-64.2-32.1-176.200000112.5D174 R180D174-A176 VanDerWaalsContact C-N 3.3Å; D174-A176 PolarHBondContact O-N 3.4Å; D174-A176 VanDerWaalsContact O-N 3.17Å; A176-R180 WeakPolarHBondContact O-CB 3.49Å; A176-R180 PolarHBondContact O-N 3.41Å
177S91.8Very high91.1Very high63 Ų6364.5 Ų64.544%0.44134%0.34SS..Hα-helixtrans-72.1-44174.1-61.30000111.1D174 R175 R180 T181D174-S177 WeakPolarHBondContact O-CA 3.49Å; D174-S177 WeakPolarHBondContact O-CB 3.44Å; D174-S177 PolarHBondContact O-N 3.3Å; R175-S177 PolarHBondContact O-N 3.28Å; S177-R180 PolarHBondContact O-N 2.82Å; S177-T181 WeakPolarHBondContact O-CB 3.5Å; S177-T181 PolarHBondContact O-N 3.01Å; S177-T181 PolarHBondContact O-OG1 2.83Å
178L91.6Very high91.3Very high5 Ų571.5 Ų71.53%0.02637%0.373CS..Hα-helixtrans-59.3-50175.6-62.1175000111.8I135 L140 F168 D174 R175 R180 T181 F182I135-L178 HydrophobicContact CG2-CD1 4.5Å; I135-L178 HydrophobicContact CG2-CD2 4.18Å; L140-L178 HydrophobicContact CD1-CD2 4.3Å; L140-L178 HydrophobicContact CG-CD2 4.31Å; F168-L178 HydrophobicContact CD1-CD1 4.18Å; F168-L178 HydrophobicContact CD2-CD1 4.08Å; F168-L178 HydrophobicContact CE1-CB 4.3Å; F168-L178 HydrophobicContact CE1-CD1 4.4Å; F168-L178 HydrophobicContact CE2-CD1 4.32Å; F168-L178 HydrophobicContact CG-CD1 4.02Å; F168-L178 HydrophobicContact CZ-CB 4.33Å; F168-L178 HydrophobicContact CZ-CD1 4.47Å; D174-L178 PolarHBondContact O-N 3.37Å; R175-L178 PolarHBondContact O-N 3.37Å; L178-R180 VanDerWaalsContact C-N 3.28Å; L178-R180 PolarHBondContact O-N 2.74Å; L178-T181 PolarHBondContact O-N 3.47Å; L178-F182 HydrophobicContact CB-CD2 4.38Å; L178-F182 HydrophobicContact CD2-CE2 4.2Å; L178-F182 VanDerWaalsContact O-CD2 3.26Å; L178-F182 WeakPolarHBondContact O-CD2 3.35Å; L178-F182 PolarHBondContact O-N 3.27Å
179L93.1Very high91.5Very high37 Ų3776.3 Ų76.319%0.19440%0.398CS..Hα-helixtrans-54.4-45.3177.1-68.4177.7000111.4F168 R175 S183 I189 F204 M206F168-L179 HydrophobicContact CZ-CD2 4.03Å; F168-L179 HydrophobicContact CZ-CG 4.49Å; R175-L179 HydrophobicContact CG-CD1 3.99Å; R175-L179 HydrophobicContact CG-CG 4.21Å; R175-L179 VanDerWaalsContact O-CG 3.31Å; R175-L179 WeakPolarHBondContact O-CG 3.46Å; R175-L179 PolarHBondContact O-N 3.2Å; L179-S183 WeakPolarHBondContact O-CB 3.45Å; L179-S183 PolarHBondContact O-N 3.02Å; L179-I189 HydrophobicContact CD2-CD1 4.39Å; L179-I189 HydrophobicContact CD2-CG1 4.39Å; L179-F204 HydrophobicContact CD2-CD1 3.88Å; L179-F204 HydrophobicContact CD2-CE1 3.34Å; L179-F204 HydrophobicContact CD2-CZ 3.79Å; L179-M206 HydrophobicContact CD2-CE 4.42Å; L179-M206 HydrophobicContact CD2-CG 4.3Å; L179-M206 HydrophobicContact CD2-SD 3.59Å; L179-M206 VanDerWaalsContact CD2-SD 3.59Å
180R93.5Very high91.7Very high147 Ų14773.6 Ų73.656%0.55539%0.386SS*.Hα-helixtrans-63.6-50177.4-174.8-173.4-62.1115.5-1.7111.6A176 S177 L178 S183 F184A176-R180 WeakPolarHBondContact O-CB 3.49Å; A176-R180 PolarHBondContact O-N 3.41Å; S177-R180 PolarHBondContact O-N 2.82Å; L178-R180 VanDerWaalsContact C-N 3.28Å; L178-R180 PolarHBondContact O-N 2.74Å; R180-S183 PolarHBondContact O-N 3.49Å; R180-F184 HydrophobicContact CG-CD2 3.86Å; R180-F184 HydrophobicContact CG-CE2 3.48Å; R180-F184 VanDerWaalsContact CG-CE2 3.48Å; R180-F184 HydrophobicContact CG-CZ 4.42Å; R180-F184 WeakPolarHBondContact O-CD2 3.37Å; R180-F184 PolarHBondContact O-N 2.87Å
181T92.4Very high91.7Very high66 Ų6679.8 Ų79.841%0.40541%0.408SS..Hα-helixtrans-59.5-49.3-178.2-62.60000111.8S177 L178 F184 L185S177-T181 WeakPolarHBondContact O-CB 3.5Å; S177-T181 PolarHBondContact O-N 3.01Å; S177-T181 PolarHBondContact O-OG1 2.83Å; L178-T181 PolarHBondContact O-N 3.47Å; T181-F184 PolarHBondContact O-N 3.48Å; T181-L185 PolarHBondContact O-N 2.94Å
182F94.1Very high91.5Very high3 Ų381.1 Ų81.11%0.01342%0.422CS..Hα-helixtrans-75.3-31.6-178.1-70.6-69.9000112.6I135 L140 F148 I166 L178 F184 L185 G186 F187 M206I135-F182 HydrophobicContact CD1-CE1 4.4Å; I135-F182 HydrophobicContact CD1-CE2 4.08Å; I135-F182 HydrophobicContact CD1-CZ 3.63Å; I135-F182 HydrophobicContact CG1-CE2 4.18Å; I135-F182 HydrophobicContact CG1-CZ 4.25Å; I135-F182 HydrophobicContact CG2-CE2 4.41Å; L140-F182 HydrophobicContact CD1-CE2 4.44Å; L140-F182 HydrophobicContact CD1-CZ 4.26Å; F148-F182 HydrophobicContact CD1-CE1 4.28Å; F148-F182 HydrophobicContact CD2-CE1 4.33Å; F148-F182 HydrophobicContact CE1-CD1 4.37Å; F148-F182 AromaticContact CE1-CE1 3.93Å; F148-F182 HydrophobicContact CE1-CE1 3.93Å; F148-F182 AromaticContact CE2-CE1 3.98Å; F148-F182 HydrophobicContact CE2-CE1 3.98Å; F148-F182 HydrophobicContact CG-CE1 4.47Å; F148-F182 HydrophobicContact CZ-CD1 4.4Å; F148-F182 AromaticContact CZ-CE1 3.77Å; F148-F182 HydrophobicContact CZ-CE1 3.77Å; I166-F182 HydrophobicContact CD1-CB 3.52Å; I166-F182 HydrophobicContact CD1-CD1 3.56Å; I166-F182 HydrophobicContact CD1-CD2 3.31Å; I166-F182 HydrophobicContact CD1-CE1 4.06Å; I166-F182 HydrophobicContact CD1-CE2 3.83Å; I166-F182 HydrophobicContact CD1-CG 3.17Å; I166-F182 HydrophobicContact CD1-CZ 4.19Å; I166-F182 HydrophobicContact CG2-CE1 4.39Å; L178-F182 HydrophobicContact CB-CD2 4.38Å; L178-F182 HydrophobicContact CD2-CE2 4.2Å; L178-F182 VanDerWaalsContact O-CD2 3.26Å; L178-F182 WeakPolarHBondContact O-CD2 3.35Å; L178-F182 PolarHBondContact O-N 3.27Å; F182-F184 VanDerWaalsContact C-N 3.3Å; F182-F184 PolarHBondContact O-N 3.06Å; F182-L185 HydrophobicContact CD1-CD1 3.93Å; F182-L185 HydrophobicContact CE1-CD1 4.28Å; F182-L185 CarbonylContact O-C 3.45Å; F182-L185 WeakPolarHBondContact O-CA 3.25Å; F182-L185 WeakPolarHBondContact O-CB 3.08Å; F182-L185 PolarHBondContact O-N 3.49Å; F182-G186 PolarHBondContact O-N 2.7Å; F182-F187 HydrophobicContact CB-CB 3.98Å; F182-F187 HydrophobicContact CB-CD2 4.26Å; F182-F187 HydrophobicContact CB-CG 4.16Å; F182-F187 HydrophobicContact CD1-CD2 4.19Å; F182-F187 HydrophobicContact CD1-CE2 4.3Å; F182-F187 WeakPolarHBondContact O-CB 3.3Å; F182-F187 PolarHBondContact O-N 2.95Å; F182-M206 HydrophobicContact CB-CE 3.97Å; F182-M206 HydrophobicContact CB-SD 3.98Å
183S94.8Very high91.1Very high76 Ų7683.5 Ų83.553%0.53145%0.454SS..Hα-helixtrans-62.3-36.2170.4-179.90000112.4L179 R180 L185 G186 F187L179-S183 WeakPolarHBondContact O-CB 3.45Å; L179-S183 PolarHBondContact O-N 3.02Å; R180-S183 PolarHBondContact O-N 3.49Å; S183-L185 PolarHBondContact O-N 3.22Å; S183-G186 PolarHBondContact O-N 2.87Å; S183-G186 VanDerWaalsContact O-N 3.1Å; S183-F187 WeakPolarHBondContact CA-O 3.34Å
184F93.3Very high90.9Very high176 Ų17679 Ų7977%0.77243%0.427SS*.Hα-helixtrans-67.8-19170.6-76.9-53.4000114.2R180 T181 F182 G186R180-F184 HydrophobicContact CG-CD2 3.86Å; R180-F184 HydrophobicContact CG-CE2 3.48Å; R180-F184 VanDerWaalsContact CG-CE2 3.48Å; R180-F184 HydrophobicContact CG-CZ 4.42Å; R180-F184 WeakPolarHBondContact O-CD2 3.37Å; R180-F184 PolarHBondContact O-N 2.87Å; T181-F184 PolarHBondContact O-N 3.48Å; F182-F184 VanDerWaalsContact C-N 3.3Å; F182-F184 PolarHBondContact O-N 3.06Å; F184-G186 VanDerWaalsContact C-N 3.32Å
185L91.6Very high90.6Very high58 Ų5882.5 Ų82.530%0.30445%0.452SS..THydrogen-bonded Turntrans-919.7172-63.8172.8000112.5F148 T181 F182 S183 F187F148-L185 HydrophobicContact CD1-CD1 4.39Å; T181-L185 PolarHBondContact O-N 2.94Å; F182-L185 HydrophobicContact CD1-CD1 3.93Å; F182-L185 HydrophobicContact CE1-CD1 4.28Å; F182-L185 CarbonylContact O-C 3.45Å; F182-L185 WeakPolarHBondContact O-CA 3.25Å; F182-L185 WeakPolarHBondContact O-CB 3.08Å; F182-L185 PolarHBondContact O-N 3.49Å; S183-L185 PolarHBondContact O-N 3.22Å; L185-F187 HydrophobicContact CB-CD2 4.02Å; L185-F187 HydrophobicContact CB-CE2 4.31Å
186G93.6Very high90.1Very high45 Ų4579.7 Ų79.746%0.46445%0.445SS..THydrogen-bonded Turntrans83.48.9-179.600000115.3F182 S183 F184F182-G186 PolarHBondContact O-N 2.7Å; S183-G186 PolarHBondContact O-N 2.87Å; S183-G186 VanDerWaalsContact O-N 3.1Å; F184-G186 VanDerWaalsContact C-N 3.32Å
187F95.7Very high89.6Confident3 Ų377.5 Ų77.51%0.01343%0.426CS..PPolyproline II helixtrans-78.3130.3175.2-74.1-107.1000111.8F148 L152 V164 I166 F182 S183 L185 M206 A207 Y208F148-F187 AromaticContact CE1-CE2 3.74Å; F148-F187 HydrophobicContact CE1-CE2 3.74Å; F148-F187 AromaticContact CE1-CZ 3.65Å; F148-F187 HydrophobicContact CE1-CZ 3.65Å; F148-F187 HydrophobicContact CZ-CE2 4.21Å; F148-F187 AromaticContact CZ-CZ 3.71Å; F148-F187 HydrophobicContact CZ-CZ 3.71Å; L152-F187 HydrophobicContact CD2-CZ 4.14Å; V164-F187 HydrophobicContact CG1-CE1 4.34Å; V164-F187 HydrophobicContact CG1-CZ 4.29Å; V164-F187 WeakPolarHBondContact O-CE1 3.42Å; I166-F187 HydrophobicContact CB-CE1 4.39Å; I166-F187 HydrophobicContact CD1-CD1 4.03Å; I166-F187 HydrophobicContact CD1-CE1 4.44Å; I166-F187 HydrophobicContact CD1-CG 4.37Å; I166-F187 HydrophobicContact CG1-CD1 3.87Å; I166-F187 HydrophobicContact CG1-CE1 4.13Å; I166-F187 HydrophobicContact CG2-CD1 4.24Å; I166-F187 HydrophobicContact CG2-CE1 3.63Å; I166-F187 HydrophobicContact CG2-CZ 4.08Å; F182-F187 HydrophobicContact CB-CB 3.98Å; F182-F187 HydrophobicContact CB-CD2 4.26Å; F182-F187 HydrophobicContact CB-CG 4.16Å; F182-F187 HydrophobicContact CD1-CD2 4.19Å; F182-F187 HydrophobicContact CD1-CE2 4.3Å; F182-F187 WeakPolarHBondContact O-CB 3.3Å; F182-F187 PolarHBondContact O-N 2.95Å; S183-F187 WeakPolarHBondContact CA-O 3.34Å; L185-F187 HydrophobicContact CB-CD2 4.02Å; L185-F187 HydrophobicContact CB-CE2 4.31Å; F187-M206 HydrophobicContact CB-CB 4Å; F187-M206 HydrophobicContact CB-CE 3.87Å; F187-M206 HydrophobicContact CD1-CB 4.3Å; F187-M206 VanDerWaalsContact O-CE 3.23Å; F187-M206 WeakPolarHBondContact O-CE 3.44Å; F187-A207 CarbonylContact C-O 3.58Å; F187-A207 VanDerWaalsContact CA-O 3.3Å; F187-A207 WeakPolarHBondContact CA-O 3.18Å; F187-Y208 HydrophobicContact CD2-CD2 4.49Å; F187-Y208 HydrophobicContact CD2-CG 4.49Å; F187-Y208 VanDerWaalsContact CE1-CB 3.46Å; F187-Y208 HydrophobicContact CE2-CD2 4.46Å; F187-Y208 HydrophobicContact CE2-CG 4.17Å; F187-Y208 VanDerWaalsContact CZ-CB 3.48Å; F187-Y208 HydrophobicContact CZ-CG 4.24Å
188E95.5Very high88.8Confident152 Ų15274.7 Ų74.771%0.7141%0.406SS*.EExtended strand (participates in β ladder)trans-99150176.6-58.9-161.1140.200112.4V190 M206 A207E188-V190 PolarHBondContact O-N 3.17Å; E188-M206 CarbonylContact O-C 3.43Å; E188-M206 WeakPolarHBondContact O-CA 3.45Å; E188-M206 VanDerWaalsContact O-CB 3.25Å; E188-M206 WeakPolarHBondContact O-CB 3.4Å; E188-A207 PolarHBondContact N-O 3.23Å; E188-A207 PolarHBondContact O-N 3.31Å
189I93.8Very high88.1Confident104 Ų10479.7 Ų79.753%0.53344%0.442SS..EExtended strand (participates in β ladder)trans-73.1119.8178.5-65173.6000110.1L179 F204 M206L179-I189 HydrophobicContact CD2-CD1 4.39Å; L179-I189 HydrophobicContact CD2-CG1 4.39Å; I189-F204 HydrophobicContact CB-CE1 4.44Å; I189-F204 HydrophobicContact CB-CZ 4.44Å; I189-F204 HydrophobicContact CD1-CZ 4.23Å; I189-F204 HydrophobicContact CG1-CE1 4.11Å; I189-F204 HydrophobicContact CG1-CZ 4.18Å; I189-F204 HydrophobicContact CG2-CE1 3.81Å; I189-F204 HydrophobicContact CG2-CZ 3.51Å; I189-M206 HydrophobicContact CG1-CE 4.4Å; I189-M206 HydrophobicContact CG1-CG 4.48Å
190V91.7Very high87.2Confident20 Ų2079.5 Ų79.512%0.12144%0.438CS..PPolyproline II helixtrans-85.1129.5177.4-1690000110.4F165 E188 H194 V197 F205 A207F165-V190 HydrophobicContact CD1-CG2 4.15Å; F165-V190 HydrophobicContact CE1-CG2 4.02Å; E188-V190 PolarHBondContact O-N 3.17Å; V190-H194 HydrophobicContact CG1-CB 3.45Å; V190-H194 VanDerWaalsContact CG1-CB 3.45Å; V190-V197 HydrophobicContact CB-CG2 4.16Å; V190-V197 HydrophobicContact CG1-CB 4.5Å; V190-V197 HydrophobicContact CG1-CG2 3.54Å; V190-V197 HydrophobicContact CG2-CG2 4.47Å; V190-F205 HydrophobicContact CB-CB 4.27Å; V190-F205 PolarHBondContact N-O 3.2Å; V190-F205 VanDerWaalsContact N-O 3.12Å; V190-A207 HydrophobicContact CG2-CB 3.47Å; V190-A207 VanDerWaalsContact CG2-CB 3.47Å
191R86.3Confident86.5Confident212 Ų21277.7 Ų77.780%0.845%0.446SS*.PPolyproline II helixtrans-68.7137.9177.8-63.7-179.1-175.7167.63.5110.8G193 H194R191-G193 PolarHBondContact O-N 3.38Å; R191-H194 WeakPolarHBondContact O-CB 3.39Å; R191-H194 PolarHBondContact O-N 3.03Å
192P81Confident86.1Confident131 Ų13177 Ų7785%0.85144%0.439SS*.THydrogen-bonded Turntrans-54136.3170.8-25.934.9000111.5
193G78.8Confident85.7Confident74 Ų7477.5 Ų77.576%0.76344%0.444SS*.THydrogen-bonded Turntrans89.52.4-175.700000115.3R191R191-G193 PolarHBondContact O-N 3.38Å
194H82.9Confident85.5Confident76 Ų7676.3 Ų76.335%0.35243%0.429SS..  trans-59.5134.8171.4-169.4-98.5000111.6V190 R191 L196 V197V190-H194 HydrophobicContact CG1-CB 3.45Å; V190-H194 VanDerWaalsContact CG1-CB 3.45Å; R191-H194 WeakPolarHBondContact O-CB 3.39Å; R191-H194 PolarHBondContact O-N 3.03Å; H194-L196 VanDerWaalsContact C-N 3.26Å; H194-L196 PolarHBondContact O-N 2.97Å; H194-L196 VanDerWaalsContact O-N 3.14Å; H194-V197 HydrophobicContact CB-CB 4.27Å; H194-V197 HydrophobicContact CB-CG2 4.29Å; H194-V197 PolarHBondContact O-N 2.92Å
195P83.2Confident85.4Confident112 Ų11268.5 Ų68.573%0.72740%0.395SS*.THydrogen-bonded Turntrans-63.1-25.9-170.223.7-35.5000114.9
196L82.3Confident85.6Confident54 Ų5465.9 Ų65.928%0.28338%0.381SS..THydrogen-bonded Turntrans-81.3-21.4174.9-58.2-179.3000112.9Y132 F165 H194Y132-L196 WeakPolarHBondContact CE1-O 3.26Å; Y132-L196 PolarHBondContact OH-O 3.22Å; F165-L196 HydrophobicContact CE2-CB 4.27Å; F165-L196 HydrophobicContact CE2-CD1 4.47Å; F165-L196 HydrophobicContact CZ-CB 3.74Å; F165-L196 HydrophobicContact CZ-CD1 3.99Å; H194-L196 VanDerWaalsContact C-N 3.26Å; H194-L196 PolarHBondContact O-N 2.97Å; H194-L196 VanDerWaalsContact O-N 3.14Å
197V81.3Confident85.7Confident13 Ų1364.5 Ų64.58%0.07937%0.365CS..SBendtrans-92.2129.9-175.3171.40000111F165 V190 H194 S199 F205F165-V197 HydrophobicContact CD1-CG2 3.94Å; F165-V197 HydrophobicContact CE1-CG2 3.76Å; V190-V197 HydrophobicContact CB-CG2 4.16Å; V190-V197 HydrophobicContact CG1-CB 4.5Å; V190-V197 HydrophobicContact CG1-CG2 3.54Å; V190-V197 HydrophobicContact CG2-CG2 4.47Å; H194-V197 HydrophobicContact CB-CB 4.27Å; H194-V197 HydrophobicContact CB-CG2 4.29Å; H194-V197 PolarHBondContact O-N 2.92Å; V197-S199 PolarHBondContact O-N 3.02Å; V197-F205 HydrophobicContact CG1-CB 4.18Å; V197-F205 HydrophobicContact CG1-CD1 3.82Å; V197-F205 HydrophobicContact CG1-CD2 3.42Å; V197-F205 VanDerWaalsContact CG1-CD2 3.42Å; V197-F205 HydrophobicContact CG1-CE1 3.96Å; V197-F205 HydrophobicContact CG1-CE2 3.56Å; V197-F205 HydrophobicContact CG1-CG 3.55Å; V197-F205 HydrophobicContact CG1-CZ 3.81Å; V197-F205 HydrophobicContact CG2-CB 4.33Å; V197-F205 HydrophobicContact CG2-CD1 4.43Å; V197-F205 HydrophobicContact CG2-CG 4.37Å
198P75.4Confident85.7Confident4 Ų467.5 Ų67.53%0.02638%0.377CS..  trans-57.1135.7172.7-21.130.5000111.8L6 L10 R200 F205L6-P198 HydrophobicContact CD2-CB 4.41Å; L6-P198 HydrophobicContact CD2-CG 3.98Å; L10-P198 HydrophobicContact CD1-CB 4.07Å; L10-P198 HydrophobicContact CD2-CB 3.76Å; L10-P198 HydrophobicContact CG-CB 4.04Å; P198-R200 PolarHBondContact O-N 2.88Å; P198-F205 HydrophobicContact CG-CZ 4.49Å
199S75.6Confident85.6Confident111 Ų11163.5 Ų63.578%0.77637%0.366SS*.  trans-66.495.2175.3-169.90000110.8V197V197-S199 PolarHBondContact O-N 3.02Å
200R74.8Confident85.5Confident33 Ų3359.4 Ų59.413%0.12535%0.345CS..  trans-128.8115.2173.2-102-159.8-54.3178.5-1.1109.8L10 F15 P198 D202 A203 F205L10-R200 HydrophobicContact CD2-CG 3.65Å; F15-R200 VanDerWaalsContact CE2-NH1 3.29Å; F15-R200 VanDerWaalsContact CE2-NH2 3.34Å; F15-R200 VanDerWaalsContact CZ-NH1 3.32Å; P198-R200 PolarHBondContact O-N 2.88Å; R200-D202 VanDerWaalsContact C-N 3.26Å; R200-D202 VanDerWaalsContact CB-OD1 3.28Å; R200-D202 WeakPolarHBondContact CB-OD1 3.23Å; R200-D202 VanDerWaalsContact CD-OD1 3.3Å; R200-D202 WeakPolarHBondContact CD-OD1 3.4Å; R200-D202 WeakPolarHBondContact CG-OD1 3.46Å; R200-D202 PolarHBondContact O-N 3.29Å; R200-A203 HydrophobicContact CB-CB 4.16Å; R200-A203 VanDerWaalsContact NE-CB 3.33Å; R200-F205 HydrophobicContact CB-CE2 4.25Å
201P79.3Confident85.2Confident109 Ų10966.5 Ų66.571%0.70838%0.377SS*.SBendtrans-79.2-9.8176.933.5-35.6000113.1K170K170-P201 VanDerWaalsContact CD-O 3.28Å; K170-P201 WeakPolarHBondContact CD-O 3.48Å; K170-P201 WeakPolarHBondContact CE-O 3.33Å; K170-P201 PolarHBondContact NZ-O 3.46Å
202D83.5Confident84.7Confident51 Ų5163.3 Ų63.327%0.27337%0.365SS..SBendtrans-95.2-24.2-176.358.7-53.2000113.6H169 K170 R200H169-D202 VanDerWaalsContact CE1-CB 3.41Å; H169-D202 WeakPolarHBondContact CE1-CB 3.1Å; H169-D202 PolarHBondContact ND1-O 3.34Å; H169-D202 VanDerWaalsContact ND1-O 3.1Å; K170-D202 WeakPolarHBondContact CB-O 3.19Å; K170-D202 WeakPolarHBondContact CG-O 3.31Å; K170-D202 PolarHBondContact N-O 2.96Å; R200-D202 VanDerWaalsContact C-N 3.26Å; R200-D202 VanDerWaalsContact CB-OD1 3.28Å; R200-D202 WeakPolarHBondContact CB-OD1 3.23Å; R200-D202 VanDerWaalsContact CD-OD1 3.3Å; R200-D202 WeakPolarHBondContact CD-OD1 3.4Å; R200-D202 WeakPolarHBondContact CG-OD1 3.46Å; R200-D202 PolarHBondContact O-N 3.29Å
203A86Confident83.7Confident13 Ų1365 Ų6511%0.10737%0.367CS..EExtended strand (participates in β ladder)trans-104.5152.7-178.600000113.4F168 R200 F205F168-A203 WeakPolarHBondContact O-CA 3.49Å; R200-A203 HydrophobicContact CB-CB 4.16Å; R200-A203 VanDerWaalsContact NE-CB 3.33Å; A203-F205 HydrophobicContact CB-CE2 3.89Å; A203-F205 HydrophobicContact CB-CZ 4.34Å
204F89.4Confident82.4Confident51 Ų5166.3 Ų66.322%0.22436%0.364CS..EExtended strand (participates in β ladder)trans-101.2146.9169-156.1-83.4000109.5C167 F168 L179 I189 M206C167-F204 VanDerWaalsContact CA-O 3.26Å; C167-F204 WeakPolarHBondContact CA-O 3.47Å; F168-F204 HydrophobicContact CD2-CB 4.05Å; F168-F204 HydrophobicContact CE1-CB 4.46Å; F168-F204 HydrophobicContact CE1-CD1 4.24Å; F168-F204 HydrophobicContact CE2-CB 3.61Å; F168-F204 HydrophobicContact CE2-CD1 4.3Å; F168-F204 HydrophobicContact CE2-CG 4.07Å; F168-F204 HydrophobicContact CZ-CB 3.85Å; F168-F204 AromaticContact CZ-CD1 3.71Å; F168-F204 HydrophobicContact CZ-CD1 3.71Å; F168-F204 AromaticContact CZ-CG 3.96Å; F168-F204 HydrophobicContact CZ-CG 3.96Å; F168-F204 PolarHBondContact N-O 2.92Å; F168-F204 PolarHBondContact O-N 3.45Å; L179-F204 HydrophobicContact CD2-CD1 3.88Å; L179-F204 HydrophobicContact CD2-CE1 3.34Å; L179-F204 HydrophobicContact CD2-CZ 3.79Å; I189-F204 HydrophobicContact CB-CE1 4.44Å; I189-F204 HydrophobicContact CB-CZ 4.44Å; I189-F204 HydrophobicContact CD1-CZ 4.23Å; I189-F204 HydrophobicContact CG1-CE1 4.11Å; I189-F204 HydrophobicContact CG1-CZ 4.18Å; I189-F204 HydrophobicContact CG2-CE1 3.81Å; I189-F204 HydrophobicContact CG2-CZ 3.51Å; F204-M206 HydrophobicContact CD1-CG 4.21Å; F204-M206 HydrophobicContact CE1-CG 3.98Å
205F92.2Very high80.9Confident13 Ų1367.3 Ų67.36%0.05738%0.379CS..EExtended strand (participates in β ladder)trans-131.7139.5180-67.1-96000110.9I166 C167 V190 V197 P198 R200 A203I166-F205 WeakPolarHBondContact O-CA 3.06Å; C167-F205 HydrophobicContact CB-CD1 3.49Å; C167-F205 VanDerWaalsContact CB-CD1 3.49Å; C167-F205 HydrophobicContact CB-CE1 3.51Å; C167-F205 HydrophobicContact CB-CG 4.18Å; C167-F205 HydrophobicContact CB-CZ 4.23Å; V190-F205 HydrophobicContact CB-CB 4.27Å; V190-F205 PolarHBondContact N-O 3.2Å; V190-F205 VanDerWaalsContact N-O 3.12Å; V197-F205 HydrophobicContact CG1-CB 4.18Å; V197-F205 HydrophobicContact CG1-CD1 3.82Å; V197-F205 HydrophobicContact CG1-CD2 3.42Å; V197-F205 VanDerWaalsContact CG1-CD2 3.42Å; V197-F205 HydrophobicContact CG1-CE1 3.96Å; V197-F205 HydrophobicContact CG1-CE2 3.56Å; V197-F205 HydrophobicContact CG1-CG 3.55Å; V197-F205 HydrophobicContact CG1-CZ 3.81Å; V197-F205 HydrophobicContact CG2-CB 4.33Å; V197-F205 HydrophobicContact CG2-CD1 4.43Å; V197-F205 HydrophobicContact CG2-CG 4.37Å; P198-F205 HydrophobicContact CG-CZ 4.49Å; R200-F205 HydrophobicContact CB-CE2 4.25Å; A203-F205 HydrophobicContact CB-CE2 3.89Å; A203-F205 HydrophobicContact CB-CZ 4.34Å
206M95.3Very high79.1Confident2 Ų269.6 Ų69.61%0.0139%0.386CS..EExtended strand (participates in β ladder)trans-128.8153.7165.4-51.8172.466.600108.7F165 I166 L179 F182 F187 E188 I189 F204F165-M206 CarbonylContact C-O 3.58Å; F165-M206 VanDerWaalsContact CA-O 3.29Å; F165-M206 WeakPolarHBondContact CA-O 3.46Å; I166-M206 HydrophobicContact CD1-CB 3.94Å; I166-M206 HydrophobicContact CD1-CG 4.3Å; I166-M206 HydrophobicContact CD1-SD 3.97Å; I166-M206 HydrophobicContact CG1-CB 3.69Å; I166-M206 HydrophobicContact CG1-CG 4.35Å; I166-M206 PolarHBondContact N-O 3.06Å; I166-M206 PolarHBondContact O-N 2.93Å; I166-M206 VanDerWaalsContact O-N 3.1Å; L179-M206 HydrophobicContact CD2-CE 4.42Å; L179-M206 HydrophobicContact CD2-CG 4.3Å; L179-M206 HydrophobicContact CD2-SD 3.59Å; L179-M206 VanDerWaalsContact CD2-SD 3.59Å; F182-M206 HydrophobicContact CB-CE 3.97Å; F182-M206 HydrophobicContact CB-SD 3.98Å; F187-M206 HydrophobicContact CB-CB 4Å; F187-M206 HydrophobicContact CB-CE 3.87Å; F187-M206 HydrophobicContact CD1-CB 4.3Å; F187-M206 VanDerWaalsContact O-CE 3.23Å; F187-M206 WeakPolarHBondContact O-CE 3.44Å; E188-M206 CarbonylContact O-C 3.43Å; E188-M206 WeakPolarHBondContact O-CA 3.45Å; E188-M206 VanDerWaalsContact O-CB 3.25Å; E188-M206 WeakPolarHBondContact O-CB 3.4Å; I189-M206 HydrophobicContact CG1-CE 4.4Å; I189-M206 HydrophobicContact CG1-CG 4.48Å; F204-M206 HydrophobicContact CD1-CG 4.21Å; F204-M206 HydrophobicContact CE1-CG 3.98Å
207A95.6Very high77.6Confident16 Ų1674 Ų7413%0.13241%0.409CS..EExtended strand (participates in β ladder)trans-127.1142.5-178.200000111.2V164 F165 F187 E188 V190V164-A207 CarbonylContact O-C 3.49Å; V164-A207 WeakPolarHBondContact O-CA 3.29Å; F165-A207 HydrophobicContact CD1-CB 3.69Å; F165-A207 HydrophobicContact CE1-CB 3.57Å; F165-A207 HydrophobicContact CG-CB 4.49Å; F165-A207 HydrophobicContact CZ-CB 4.29Å; F187-A207 CarbonylContact C-O 3.58Å; F187-A207 VanDerWaalsContact CA-O 3.3Å; F187-A207 WeakPolarHBondContact CA-O 3.18Å; E188-A207 PolarHBondContact N-O 3.23Å; E188-A207 PolarHBondContact O-N 3.31Å; V190-A207 HydrophobicContact CG2-CB 3.47Å; V190-A207 VanDerWaalsContact CG2-CB 3.47Å
208Y95.8Very high75.7Confident66 Ų6686.4 Ų86.426%0.25947%0.466SS..EExtended strand (participates in β ladder)trans-115.9128.6166176.5-102.5000107.2L152 H163 V164 F187 I210L152-Y208 HydrophobicContact CD2-CD1 4.16Å; H163-Y208 CarbonylContact C-O 3.53Å; H163-Y208 WeakPolarHBondContact CA-O 3.26Å; V164-Y208 PolarHBondContact N-O 3.06Å; V164-Y208 PolarHBondContact O-N 3.26Å; F187-Y208 HydrophobicContact CD2-CD2 4.49Å; F187-Y208 HydrophobicContact CD2-CG 4.49Å; F187-Y208 VanDerWaalsContact CE1-CB 3.46Å; F187-Y208 HydrophobicContact CE2-CD2 4.46Å; F187-Y208 HydrophobicContact CE2-CG 4.17Å; F187-Y208 VanDerWaalsContact CZ-CB 3.48Å; F187-Y208 HydrophobicContact CZ-CG 4.24Å; Y208-I210 HydrophobicContact CD1-CG1 4.18Å; Y208-I210 HydrophobicContact CE1-CG1 3.98Å
209S93.6Very high75.7Confident68 Ų6890.5 Ų90.548%0.47649%0.489SS..EExtended strand (participates in β ladder)trans-93.7131173.8-63.70000108.1H163 E211H163-S209 PolarHBondContact CE1-OG 3.39Å; H163-S209 PolarHBondContact ND1-OG 2.95Å; S209-E211 PolarHBondContact O-N 3.1Å
210I91.6Very high75.7Confident18 Ų1889.4 Ų89.49%0.09247%0.473CS..  trans-80.6115.5174.1-69.2164.8000106.5A155 E156 A161 D162 V164 Y208 R212A155-I210 HydrophobicContact CB-CD1 4.38Å; E156-I210 HydrophobicContact CB-CD1 4.22Å; E156-I210 HydrophobicContact CB-CG2 4.2Å; E156-I210 HydrophobicContact CG-CG2 3.8Å; A161-I210 HydrophobicContact CB-CD1 3.83Å; A161-I210 WeakPolarHBondContact O-CD1 3.28Å; D162-I210 PolarHBondContact O-N 2.91Å; V164-I210 HydrophobicContact CG2-CD1 3.98Å; Y208-I210 HydrophobicContact CD1-CG1 4.18Å; Y208-I210 HydrophobicContact CE1-CG1 3.98Å; I210-R212 PolarHBondContact O-N 3.33Å
211E85.8Confident75.7Confident170 Ų17092.6 Ų92.679%0.79449%0.493SS*.  trans-68.7117172.5-66.3-176.6167.200107.6S209S209-E211 PolarHBondContact O-N 3.1Å
212R75.1Confident75.5Confident144 Ų14491.6 Ų91.654%0.54348%0.48SS..  trans-96.3125.8165.1-63.2-170.5-171.4136.37.2106.9Q160 D162 I210 S214Q160-R212 PolarHBondContact O-NH2 3.36Å; D162-R212 IonicContact OD1-CZ 3.58Å; D162-R212 VanDerWaalsContact OD1-CZ 3.3Å; D162-R212 IonicContact OD1-NH1 2.83Å; D162-R212 PolarHBondContact OD1-NH1 3.01Å; D162-R212 IonicContact OD1-NH2 3.53Å; D162-R212 PolarHBondContact OD1-NH2 3.19Å; I210-R212 PolarHBondContact O-N 3.33Å; R212-S214 VanDerWaalsContact C-N 3.27Å; R212-S214 PolarHBondContact O-N 2.97Å
213D61.1Low75Confident167 Ų16794.1 Ų94.189%0.89349%0.493SS*.  trans-59.795.1164.4-74.2-38.1000108.3S215D213-S215 VanDerWaalsContact C-N 3.31Å; D213-S215 PolarHBondContact O-N 3.42Å
214S50.4Low74.3Confident101 Ų10199.5 Ų99.571%0.70652%0.519SS*.  trans-68.697.816254.90000106.5R212 D216R212-S214 VanDerWaalsContact C-N 3.27Å; R212-S214 PolarHBondContact O-N 2.97Å; S214-D216 PolarHBondContact O-N 3.35Å
215S51Low73.2Confident97 Ų97103 Ų10368%0.67854%0.54SS*.  trans-64.479.2163.558.20000108.4D213 D217D213-S215 VanDerWaalsContact C-N 3.31Å; D213-S215 PolarHBondContact O-N 3.42Å; S215-D217 PolarHBondContact O-N 3.37Å
216D46.7Very low71.8Confident160 Ų160109.9 Ų109.986%0.85658%0.577SS**  trans-77.177.4168.8-137.121.6000106S214 E218S214-D216 PolarHBondContact O-N 3.35Å; D216-E218 PolarHBondContact O-N 3.04Å
217D49.8Very low69.8Low146 Ų146118.9 Ų118.978%0.78162%0.624SS**  trans-74.8100.4176-79.1-55.3000109.9S215S215-D217 PolarHBondContact O-N 3.37Å
218E41.3Very low67.5Low274 Ų274128.3 Ų128.3100%1.2867%0.669SS**  trans-136.20152.1-75.5-154.6114.300111.7D216D216-E218 PolarHBondContact O-N 3.04Å

Retrieved 218 of 218 residues in 55.2 ms (Link to these results)