A0A096NP06_PAPAN Loading...

EGF-containing fibulin-like extracellular matrix protein 1

Binds EGFR, the EGF receptor, inducing EGFR autophosphorylation and the activation of downstream signaling pathways. May play a role in cell adhesion and migration. May function as a negative regulator of chondrocyte differentiation. In the olfactory epithelium, it may regulate glial cell migration, differentiation and the ability of glial cells to support neuronal neurite outgrowth.

AlphaFold DB (Q7YQD7), UniProt , Accession A0A096NP06, Species PAPAN (Papio anubis, Olive baboon), Gene EFEMP1, Length 493 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
1M40.6Very low37.5Very low234 Ų234158.5 Ų158.5100%1.15383%0.829SS**  0108.60-54.4-62.2-168.700106.2
2L39.4Very low37.1Very low168 Ų168157.3 Ų157.388%0.8882%0.822SS**  cis-136.2148.96.7-137.570.2000108.7
3K31.7Very low37Very low205 Ų205152.7 Ų152.789%0.89182%0.821SS**  trans-103.8150.6169.2-71.8177.4173.4-1800108.9
4A42.2Very low36.7Very low85 Ų85152.6 Ų152.670%0.70282%0.82SS**  trans167.7112.1142.600000109.4
5L38.9Very low36.8Very low148 Ų148152 Ų15278%0.77582%0.823SS**  78.6116.583.1-91140.3000113.5
6F40.5Very low36.7Very low211 Ų211154.3 Ų154.393%0.92582%0.822SS**  -151.6151.5114.1-109.4-77.5000110.1
7L34.3Very low36.4Very low137 Ų137151.2 Ų151.272%0.71782%0.816SS**  trans-142.6171.4-165.2-157.993.5000109.2
8T37.2Very low36.3Very low110 Ų110153.1 Ų153.168%0.67582%0.819SS**  trans78.8149171.580.80000115.5
9M38.4Very low36.1Very low164 Ų164152.7 Ų152.781%0.80882%0.817SS**  cis-132.3156.38.1-91.7-58.6176.400112.9
10L30Very low35.9Very low152 Ų152151.7 Ų151.780%0.79682%0.816SS**  trans-116.1126.9167.2-17785.4000108.4L12L10-L12 HydrophobicContact CD2-CD1 4.48Å
11T39.6Very low35.8Very low129 Ų129152.8 Ų152.879%0.79182%0.817SS**  trans-139.5122171.345.70000111.6
12L31.9Very low35.3Very low144 Ų144150.3 Ų150.375%0.75480%0.802SS**  trans-72.1146173.6-7968000111.2L10L10-L12 HydrophobicContact CD2-CD1 4.48Å
13A36.4Very low34.9Very low98 Ų98148.3 Ų148.381%0.8180%0.797SS**  trans-138.4117.1152.900000109.1
14L32.2Very low34.9Very low152 Ų152145.2 Ų145.280%0.79679%0.789SS**  trans-81.3130.3169.4-78.987.9000109.5
15V39.5Very low34.5Very low143 Ų143146.8 Ų146.887%0.86779%0.79SS**  trans-128.6138155.3179.20000108
16K34.4Very low34.5Very low188 Ų188149.9 Ų149.982%0.81779%0.793SS**  trans-91.9141.3-173.7-77.4176.9168.4179.10111.7
17S32.5Very low35Very low102 Ų102142.9 Ų142.971%0.71377%0.767SS**  trans50.2110.3134.8168.60000118.9
18Q33Very low36.4Very low186 Ų186144.6 Ų144.687%0.86977%0.771SS**  -163.9154.1110.2-109167.7-28.800111.8
19D33.7Very low37.8Very low145 Ų145140.7 Ų140.778%0.77575%0.748SS**  trans-69.1142.1-169.7-47.4-92.1000114.3
20T31.3Very low39.4Very low132 Ų132137.4 Ų137.481%0.8174%0.738SS**  trans-172.3127132.423.50000111.7
21E33.4Very low41.4Very low176 Ų176137.9 Ų137.982%0.82274%0.741SS**  trans49.5106.7156.2-63.2-179.6136.300120.5T23E21-T23 PolarHBondContact O-N 2.91Å
22E30.6Very low42.9Very low181 Ų181132.4 Ų132.485%0.84671%0.71SS**  trans-74.792.7162.6-68.8-176.6135.300111.5I24E22-I24 HydrophobicContact CB-CG1 4.41Å; E22-I24 PolarHBondContact O-N 3.07Å
23T30.8Very low45.2Very low126 Ų126127.9 Ų127.977%0.77368%0.684SS**  trans-91.185.6168-43.20000110.2E21 T25E21-T23 PolarHBondContact O-N 2.91Å; T23-T25 PolarHBondContact O-N 3.38Å
24I31.9Very low47.3Very low141 Ų141129.6 Ų129.672%0.72368%0.675SS**  trans-82103.2179.2-56.6172.5000110.5E22E22-I24 HydrophobicContact CB-CG1 4.41Å; E22-I24 PolarHBondContact O-N 3.07Å
25T33.3Very low49.7Very low118 Ų118126.1 Ų126.172%0.72465%0.651SS**  trans-154.8100.515736.40000110T23T23-T25 PolarHBondContact O-N 3.38Å
26Y39.8Very low51.7Low213 Ų213120.8 Ų120.884%0.83562%0.618SS**  trans-117.186.4166.6-152-87.3000107.8Q28Y26-Q28 HydrophobicContact CD1-CG 4.22Å; Y26-Q28 PolarHBondContact O-N 3.41Å; Y26-Q28 VanDerWaalsContact O-N 3.14Å
27T51Low53.4Low63 Ų63116 Ų11639%0.38761%0.606SS.*  trans-72.4100.9179.6270000110C29 W35T27-C29 PolarHBondContact O-N 3.02Å; T27-W35 HydrophobicContact CG2-CE3 4.34Å; T27-W35 HydrophobicContact CG2-CH2 3.82Å; T27-W35 HydrophobicContact CG2-CZ2 4.45Å; T27-W35 HydrophobicContact CG2-CZ3 3.76Å; T27-W35 WeakPolarHBondContact OG1-CZ2 3.49Å
28Q63.2Low55.5Low173 Ų173117.5 Ų117.581%0.80861%0.611SS**  trans-78.6107.1167.9-69.6-172.7-40.100109Y26Y26-Q28 HydrophobicContact CD1-CG 4.22Å; Y26-Q28 PolarHBondContact O-N 3.41Å; Y26-Q28 VanDerWaalsContact O-N 3.14Å
29C67.3Low57.6Low28 Ų28116.7 Ų116.719%0.18960%0.599CS.*PPolyproline II helixtrans-64.8152.8162.2-650000110T27 Y33 C42T27-C29 PolarHBondContact O-N 3.02Å; C29-Y33 WeakPolarHBondContact CB-O 3.25Å; C29-C42 WeakPolarHBondContact CA-SG 3.42Å; C29-C42 HydrophobicContact CB-CB 3.92Å; C29-C42 WeakPolarHBondContact CB-SG 3.14Å; C29-C42 VanDerWaalsContact SG-CA 3.5Å; C29-C42 WeakPolarHBondContact SG-CB 3.46Å; C29-C42 CovalentContact SG-SG 2.04Å; C29-C42 PolarHBondContact SG-SG 2.63Å
30T71.6Confident59.7Low96 Ų96116 Ų11659%0.58959%0.591SS**PPolyproline II helixtrans-70.1159.2172.745.90000111.2G32 Y33T30-G32 PolarHBondContact O-N 3.39Å; T30-Y33 PolarHBondContact O-N 2.95Å
31D72.7Confident61.9Low161 Ų161114 Ų11486%0.86157%0.573SS**THydrogen-bonded Turntrans-50.1138.9172.4-63.1-28.3000110.7
32G70.9Confident64.1Low14 Ų14108.1 Ų108.114%0.14455%0.551CS.*THydrogen-bonded Turntrans87.2-2-171.600000115.3T30 I45T30-G32 PolarHBondContact O-N 3.39Å; G32-I45 WeakPolarHBondContact O-CB 3.4Å; G32-I45 PolarHBondContact O-N 3.21Å; G32-I45 VanDerWaalsContact O-N 3.14Å
33Y79.9Confident66.5Low50 Ų50104.9 Ų104.920%0.19653%0.534CS..EExtended strand (participates in β ladder)trans-130.7139.7-179.6-64.6-98.7000113.3C29 T30 C42 K43 D44 G66C29-Y33 WeakPolarHBondContact CB-O 3.25Å; T30-Y33 PolarHBondContact O-N 2.95Å; Y33-C42 HydrophobicContact CD1-CB 4.32Å; Y33-C42 HydrophobicContact CG-CB 4.48Å; Y33-K43 CarbonylContact C-O 3.55Å; Y33-K43 WeakPolarHBondContact CA-O 3.41Å; Y33-D44 HydrophobicContact CE1-CB 4.43Å; Y33-G66 PolarHBondContact OH-N 3.49Å
34E81.1Confident68.9Low133 Ų133100.2 Ų100.262%0.62150%0.504SS*.EExtended strand (participates in β ladder)trans-107144173.8-176.4176.5179.800110.2D36 K43 I45E34-D36 PolarHBondContact O-N 2.97Å; E34-K43 PolarHBondContact N-O 3.11Å; E34-K43 PolarHBondContact O-N 3.34Å; E34-I45 HydrophobicContact CB-CD1 4.12Å; E34-I45 HydrophobicContact CB-CG1 3.86Å
35W82Confident71.3Confident80 Ų8095.4 Ų95.430%0.30348%0.48SS..EExtended strand (participates in β ladder)trans-75.3117.3175.3179.3-102000111.1T27 P37 Q40T27-W35 HydrophobicContact CG2-CE3 4.34Å; T27-W35 HydrophobicContact CG2-CH2 3.82Å; T27-W35 HydrophobicContact CG2-CZ2 4.45Å; T27-W35 HydrophobicContact CG2-CZ3 3.76Å; T27-W35 WeakPolarHBondContact OG1-CZ2 3.49Å; W35-P37 WeakPolarHBondContact O-CD 3.36Å; W35-Q40 VanDerWaalsContact CH2-C 3.42Å; W35-Q40 HydrophobicContact CH2-CB 4.46Å; W35-Q40 VanDerWaalsContact CH2-O 3.32Å; W35-Q40 WeakPolarHBondContact CH2-O 2.99Å; W35-Q40 HydrophobicContact CZ2-CB 4.28Å
36D80.5Confident73.7Confident30 Ų3092.6 Ų92.616%0.1646%0.46CS..EExtended strand (participates in β ladder)trans-86.4105.9171.7-178-26000109.5E34 V38 R39 Q40 Q41 K43E34-D36 PolarHBondContact O-N 2.97Å; D36-V38 PolarHBondContact O-N 2.91Å; D36-V38 WeakPolarHBondContact OD1-CA 3.44Å; D36-V38 WeakPolarHBondContact OD1-CB 3.29Å; D36-V38 PolarHBondContact OD1-N 2.8Å; D36-R39 HydrophobicContact CB-CB 4.21Å; D36-R39 PolarHBondContact O-N 2.03Å; D36-R39 PolarHBondContact OD1-N 2.85Å; D36-R39 VanDerWaalsContact OD2-CD 3.27Å; D36-R39 WeakPolarHBondContact OD2-CD 3.48Å; D36-R39 WeakPolarHBondContact OD2-CG 3.42Å; D36-R39 IonicContact OD2-NE 2.71Å; D36-Q40 WeakPolarHBondContact O-CA 3.03Å; D36-Q40 PolarHBondContact O-N 2.94Å; D36-Q41 PolarHBondContact N-O 2.6Å; D36-Q41 PolarHBondContact O-N 3.07Å; D36-K43 HydrophobicContact CB-CB 4.16Å
37P71Confident75.9Confident88 Ų8883.8 Ų83.857%0.57143%0.427SS*.THydrogen-bonded Turntrans-72.3-16.1-177.731.6-36.9000113.3W35 Q40W35-P37 WeakPolarHBondContact O-CD 3.36Å; P37-Q40 PolarHBondContact O-NE2 3.47Å
38V76.7Confident77.4Confident134 Ų13482.5 Ų82.581%0.81242%0.419SS*.THydrogen-bonded Turntrans-81.4-38.6177.1-175.40000110.2D36D36-V38 PolarHBondContact O-N 2.91Å; D36-V38 WeakPolarHBondContact OD1-CA 3.44Å; D36-V38 WeakPolarHBondContact OD1-CB 3.29Å; D36-V38 PolarHBondContact OD1-N 2.8Å
39R78Confident78.4Confident168 Ų16881.2 Ų81.263%0.63442%0.418SS*.THydrogen-bonded Turntrans-93.8-10.5179.1-63.9-176.4-179.2-171.9-0.6114.4D36 Q41D36-R39 HydrophobicContact CB-CB 4.21Å; D36-R39 PolarHBondContact O-N 2.03Å; D36-R39 PolarHBondContact OD1-N 2.85Å; D36-R39 VanDerWaalsContact OD2-CD 3.27Å; D36-R39 WeakPolarHBondContact OD2-CD 3.48Å; D36-R39 WeakPolarHBondContact OD2-CG 3.42Å; D36-R39 IonicContact OD2-NE 2.71Å; R39-Q41 HydrophobicContact CB-CG 3.72Å; R39-Q41 PolarHBondContact O-N 2.99Å
40Q77Confident79Confident130 Ų13085.3 Ų85.361%0.60744%0.437SS*.THydrogen-bonded Turntrans54.839.1-176.7-62.3-72.7-54.300112.5W35 D36 P37W35-Q40 VanDerWaalsContact CH2-C 3.42Å; W35-Q40 HydrophobicContact CH2-CB 4.46Å; W35-Q40 VanDerWaalsContact CH2-O 3.32Å; W35-Q40 WeakPolarHBondContact CH2-O 2.99Å; W35-Q40 HydrophobicContact CZ2-CB 4.28Å; D36-Q40 WeakPolarHBondContact O-CA 3.03Å; D36-Q40 PolarHBondContact O-N 2.94Å; P37-Q40 PolarHBondContact O-NE2 3.47Å
41Q78.4Confident79.3Confident91 Ų9183.5 Ų83.543%0.42543%0.426SS..EExtended strand (participates in β ladder)trans-142.3156.7-17872.5-176.735.300110.5D36 R39 K43D36-Q41 PolarHBondContact N-O 2.6Å; D36-Q41 PolarHBondContact O-N 3.07Å; R39-Q41 HydrophobicContact CB-CG 3.72Å; R39-Q41 PolarHBondContact O-N 2.99Å; Q41-K43 PolarHBondContact O-N 2.84Å
42C77.9Confident79.1Confident53 Ų5381.5 Ų81.536%0.35842%0.421SS..EExtended strand (participates in β ladder)trans-70.3127.9164.6-63.30000109.4C29 Y33C29-C42 WeakPolarHBondContact CA-SG 3.42Å; C29-C42 HydrophobicContact CB-CB 3.92Å; C29-C42 WeakPolarHBondContact CB-SG 3.14Å; C29-C42 VanDerWaalsContact SG-CA 3.5Å; C29-C42 WeakPolarHBondContact SG-CB 3.46Å; C29-C42 CovalentContact SG-SG 2.04Å; C29-C42 PolarHBondContact SG-SG 2.63Å; Y33-C42 HydrophobicContact CD1-CB 4.32Å; Y33-C42 HydrophobicContact CG-CB 4.48Å
43K82.1Confident79.3Confident113 Ų11388.2 Ų88.249%0.49145%0.454SS..EExtended strand (participates in β ladder)trans-109.7138.5176.5-174.3-155.4162.7-151.10108.3Y33 E34 D36 Q41Y33-K43 CarbonylContact C-O 3.55Å; Y33-K43 WeakPolarHBondContact CA-O 3.41Å; E34-K43 PolarHBondContact N-O 3.11Å; E34-K43 PolarHBondContact O-N 3.34Å; D36-K43 HydrophobicContact CB-CB 4.16Å; Q41-K43 PolarHBondContact O-N 2.84Å
44D80.7Confident79.1Confident27 Ų2786.6 Ų86.614%0.14445%0.451CS..EExtended strand (participates in β ladder)trans-52.5136170.7-168.954000112.5Y33 N63 H64 Y65 G66Y33-D44 HydrophobicContact CE1-CB 4.43Å; D44-N63 PolarHBondContact OD2-ND2 3.23Å; D44-H64 VanDerWaalsContact OD1-O 3.06Å; D44-Y65 HydrophobicContact CB-CD1 4.2Å; D44-Y65 HydrophobicContact CB-CE1 4.5Å; D44-Y65 VanDerWaalsContact OD1-CA 3.25Å; D44-Y65 WeakPolarHBondContact OD1-CA 3.5Å; D44-G66 PolarHBondContact OD1-N 2.79Å
45I83.2Confident78.8Confident41 Ų4180.9 Ų80.921%0.2143%0.426CS..  trans-91.7128.5175.2-65.2176.6000108.2G32 E34 E47 I50 N63G32-I45 WeakPolarHBondContact O-CB 3.4Å; G32-I45 PolarHBondContact O-N 3.21Å; G32-I45 VanDerWaalsContact O-N 3.14Å; E34-I45 HydrophobicContact CB-CD1 4.12Å; E34-I45 HydrophobicContact CB-CG1 3.86Å; I45-E47 HydrophobicContact CG2-CG 4.03Å; I45-E47 PolarHBondContact O-N 3.38Å; I45-E47 VanDerWaalsContact O-N 3.14Å; I45-I50 HydrophobicContact CG2-CD1 3.4Å; I45-N63 PolarHBondContact O-OD1 3.13Å
46D84Confident78.5Confident58 Ų5886 Ų8631%0.3145%0.45SS..  trans-8290.4170.8-163.8-44.7000110.4C48 D49 I50 N63D46-C48 PolarHBondContact O-N 3.27Å; D46-C48 WeakPolarHBondContact OD1-CA 3.5Å; D46-C48 VanDerWaalsContact OD1-CB 3.32Å; D46-C48 WeakPolarHBondContact OD1-CB 3.42Å; D46-C48 PolarHBondContact OD1-N 3.11Å; D46-D49 HydrophobicContact CB-CB 4.4Å; D46-D49 PolarHBondContact O-N 3.48Å; D46-D49 PolarHBondContact OD1-N 2.87Å; D46-D49 VanDerWaalsContact OD1-N 3.11Å; D46-I50 WeakPolarHBondContact O-CD1 3.32Å; D46-I50 WeakPolarHBondContact O-CG1 3.15Å; D46-I50 PolarHBondContact O-N 3.44Å; D46-N63 WeakPolarHBondContact CA-OD1 3.34Å; D46-N63 HydrophobicContact CB-CB 4.44Å; D46-N63 WeakPolarHBondContact OD2-CB 3.38Å
47E84.2Confident77.9Confident29 Ų2988.6 Ų88.614%0.13648%0.484CS..Hα-helixtrans-71.9-16.2179.3-56.895.417300113.4I45 D49 I50 V51 G67 Y68I45-E47 HydrophobicContact CG2-CG 4.03Å; I45-E47 PolarHBondContact O-N 3.38Å; I45-E47 VanDerWaalsContact O-N 3.14Å; E47-D49 VanDerWaalsContact C-N 3.29Å; E47-D49 PolarHBondContact O-N 3.28Å; E47-I50 PolarHBondContact O-N 2.7Å; E47-V51 HydrophobicContact CB-CG2 4.26Å; E47-V51 WeakPolarHBondContact O-CB 3.37Å; E47-V51 PolarHBondContact O-N 3.42Å; E47-G67 WeakPolarHBondContact OE2-CA 3.01Å; E47-Y68 HydrophobicContact CB-CD1 3.65Å; E47-Y68 HydrophobicContact CB-CE1 4.28Å; E47-Y68 HydrophobicContact CB-CG 4.41Å; E47-Y68 HydrophobicContact CG-CD1 4.28Å; E47-Y68 PolarHBondContact OE2-N 3.29Å
48C83.8Confident77.9Confident35 Ų3586.7 Ų86.724%0.23648%0.48CS..Hα-helixtrans-68.5-30.8174.1-65.10000111.9D46 C61 V62 N63D46-C48 PolarHBondContact O-N 3.27Å; D46-C48 WeakPolarHBondContact OD1-CA 3.5Å; D46-C48 VanDerWaalsContact OD1-CB 3.32Å; D46-C48 WeakPolarHBondContact OD1-CB 3.42Å; D46-C48 PolarHBondContact OD1-N 3.11Å; C48-C61 WeakPolarHBondContact CA-SG 3.24Å; C48-C61 HydrophobicContact CB-CB 3.86Å; C48-C61 WeakPolarHBondContact CB-SG 3.33Å; C48-C61 WeakPolarHBondContact SG-CB 3.33Å; C48-C61 CovalentContact SG-SG 2.04Å; C48-C61 PolarHBondContact SG-SG 3.46Å; C48-V62 PolarHBondContact SG-N 3.25Å; C48-N63 PolarHBondContact SG-N 2.83Å; C48-N63 VanDerWaalsContact SG-N 3.43Å
49D83.8Confident77.8Confident146 Ų14684.8 Ų84.878%0.78146%0.464SS*.Hα-helixtrans-78.9-26.6172.1-85.9-7.7000113D46 E47D46-D49 HydrophobicContact CB-CB 4.4Å; D46-D49 PolarHBondContact O-N 3.48Å; D46-D49 PolarHBondContact OD1-N 2.87Å; D46-D49 VanDerWaalsContact OD1-N 3.11Å; E47-D49 VanDerWaalsContact C-N 3.29Å; E47-D49 PolarHBondContact O-N 3.28Å
50I80.1Confident77.9Confident114 Ų11482.9 Ų82.959%0.58546%0.46SS*.Hα-helixtrans-95.5-28.8-172.8-61.7166.2000113I45 D46 E47 P52I45-I50 HydrophobicContact CG2-CD1 3.4Å; D46-I50 WeakPolarHBondContact O-CD1 3.32Å; D46-I50 WeakPolarHBondContact O-CG1 3.15Å; D46-I50 PolarHBondContact O-N 3.44Å; E47-I50 PolarHBondContact O-N 2.7Å; I50-P52 WeakPolarHBondContact O-CD 3.23Å
51V76.6Confident78.2Confident58 Ų5878.3 Ų78.335%0.35244%0.442SS..SBendtrans-111100.2-175.5-175.40000110.6E47 D53 A54E47-V51 HydrophobicContact CB-CG2 4.26Å; E47-V51 WeakPolarHBondContact O-CB 3.37Å; E47-V51 PolarHBondContact O-N 3.42Å; V51-D53 PolarHBondContact O-N 3.25Å; V51-A54 HydrophobicContact CB-CB 4.01Å; V51-A54 HydrophobicContact CG1-CB 3.97Å; V51-A54 WeakPolarHBondContact O-CB 3.42Å; V51-A54 PolarHBondContact O-N 2.91Å; V51-A54 VanDerWaalsContact O-N 3.16Å
52P70Confident78.5Confident119 Ų11975.6 Ų75.677%0.77343%0.432SS*.THydrogen-bonded Turntrans-59.5133.2173.1-20.432.2000110.8I50 A54I50-P52 WeakPolarHBondContact O-CD 3.23Å; P52-A54 PolarHBondContact O-N 2.76Å
53D75.3Confident78.6Confident156 Ų15675.3 Ų75.383%0.83443%0.427SS*.THydrogen-bonded Turntrans53.336.6-175-64.5-37000114.4V51 C55V51-D53 PolarHBondContact O-N 3.25Å; D53-C55 PolarHBondContact O-N 3.26Å
54A74.5Confident78.4Confident16 Ų1672 Ų7213%0.13241%0.413CS..  trans-43.5-37.9173.500000113.4V51 P52 Y68V51-A54 HydrophobicContact CB-CB 4.01Å; V51-A54 HydrophobicContact CG1-CB 3.97Å; V51-A54 WeakPolarHBondContact O-CB 3.42Å; V51-A54 PolarHBondContact O-N 2.91Å; V51-A54 VanDerWaalsContact O-N 3.16Å; P52-A54 PolarHBondContact O-N 2.76Å; A54-Y68 HydrophobicContact CB-CD2 3.96Å; A54-Y68 HydrophobicContact CB-CE2 3.67Å
55C75Confident78.3Confident13 Ų1378.8 Ų78.89%0.08844%0.438CS..SBendtrans-106.7110.7179.8-63.10000113D53 M59 C61 C70D53-C55 PolarHBondContact O-N 3.26Å; C55-M59 HydrophobicContact CB-CB 4.01Å; C55-C61 VanDerWaalsContact SG-CA 3.54Å; C55-C70 WeakPolarHBondContact CA-SG 3.38Å; C55-C70 HydrophobicContact CB-CB 3.72Å; C55-C70 WeakPolarHBondContact CB-SG 3.45Å; C55-C70 WeakPolarHBondContact SG-CA 3.22Å; C55-C70 WeakPolarHBondContact SG-CB 3.32Å; C55-C70 CovalentContact SG-SG 2.04Å; C55-C70 PolarHBondContact SG-SG 2.94Å
56K75.9Confident77.7Confident186 Ų18678.3 Ų78.381%0.80944%0.443SS*.G310 helixtrans-70.1154.8175.5-66.1-179.5-178.2173.20111.9
57G68.7Low77.5Confident85 Ų8576.2 Ų76.288%0.87644%0.436SS*.G310 helixtrans78.914.7171.500000115.7M59G57-M59 VanDerWaalsContact C-N 3.34Å
58G70Confident77.3Confident48 Ų4879.5 Ų79.550%0.49545%0.447SS..G310 helixtrans78.916.4177.200000114.6K73G58-K73 WeakPolarHBondContact O-CE 3.33Å
59M74.6Confident77Confident95 Ų9579.2 Ų79.247%0.46844%0.443SS..PPolyproline II helixtrans-67.8152.6165.8-67173.5-17700110.6C55 G57 C70 L71C55-M59 HydrophobicContact CB-CB 4.01Å; G57-M59 VanDerWaalsContact C-N 3.34Å; M59-C70 HydrophobicContact CB-CB 4.19Å; M59-C70 HydrophobicContact SD-CB 4.03Å; M59-L71 CarbonylContact C-O 3.52Å; M59-L71 WeakPolarHBondContact CA-O 3.06Å; M59-L71 WeakPolarHBondContact CB-O 3.31Å
60K81Confident76.9Confident127 Ų12774.5 Ų74.555%0.55242%0.421SS*.EExtended strand (participates in β ladder)trans-86.5125.6175.4-176.4-171174.3-167.50109V62 L71K60-V62 HydrophobicContact CD-CG2 4.2Å; K60-V62 HydrophobicContact CG-CG2 4.32Å; K60-L71 PolarHBondContact N-O 2.91Å; K60-L71 PolarHBondContact O-N 2.95Å
61C82.4Confident76.6Confident34 Ų3469.5 Ų69.523%0.2340%0.396CS..EExtended strand (participates in β ladder)trans-72136.1167.2-162.70000109.9C48 C55C48-C61 WeakPolarHBondContact CA-SG 3.24Å; C48-C61 HydrophobicContact CB-CB 3.86Å; C48-C61 WeakPolarHBondContact CB-SG 3.33Å; C48-C61 WeakPolarHBondContact SG-CB 3.33Å; C48-C61 CovalentContact SG-SG 2.04Å; C48-C61 PolarHBondContact SG-SG 3.46Å; C55-C61 VanDerWaalsContact SG-CA 3.54Å
62V84.3Confident76.2Confident35 Ų3568.5 Ų68.521%0.21239%0.39CS..EExtended strand (participates in β ladder)trans-135.5128.3168-173.20000108.8C48 K60 L69 L71 I77C48-V62 PolarHBondContact SG-N 3.25Å; K60-V62 HydrophobicContact CD-CG2 4.2Å; K60-V62 HydrophobicContact CG-CG2 4.32Å; V62-L69 PolarHBondContact N-O 3.48Å; V62-L69 PolarHBondContact O-N 3.28Å; V62-L71 HydrophobicContact CG2-CD1 4.22Å; V62-I77 HydrophobicContact CB-CD1 3.98Å; V62-I77 HydrophobicContact CG1-CD1 3.58Å; V62-I77 HydrophobicContact CG2-CD1 3.86Å
63N80Confident76Confident47 Ų4771.1 Ų71.125%0.25139%0.39SS..EExtended strand (participates in β ladder)trans-64.1147.2177.9-17243.3000111.9D44 I45 D46 C48D44-N63 PolarHBondContact OD2-ND2 3.23Å; I45-N63 PolarHBondContact O-OD1 3.13Å; D46-N63 WeakPolarHBondContact CA-OD1 3.34Å; D46-N63 HydrophobicContact CB-CB 4.44Å; D46-N63 WeakPolarHBondContact OD2-CB 3.38Å; C48-N63 PolarHBondContact SG-N 2.83Å; C48-N63 VanDerWaalsContact SG-N 3.43Å
64H79.1Confident75.3Confident44 Ų4469.6 Ų69.620%0.20439%0.386CS..EExtended strand (participates in β ladder)trans-147.5157.5-178.1-165.7-83.5000110.7D44 G66 G67 L69 L272D44-H64 VanDerWaalsContact OD1-O 3.06Å; H64-G66 PolarHBondContact O-N 2.89Å; H64-G67 CarbonylContact C-O 3.58Å; H64-G67 VanDerWaalsContact C-O 3.26Å; H64-G67 VanDerWaalsContact CA-O 3.25Å; H64-G67 WeakPolarHBondContact CA-O 3.4Å; H64-G67 VanDerWaalsContact CB-O 3.27Å; H64-G67 WeakPolarHBondContact CB-O 3.38Å; H64-G67 PolarHBondContact N-O 2.79Å; H64-G67 PolarHBondContact O-N 2.03Å; H64-G67 VanDerWaalsContact O-N 3.07Å; H64-L69 HydrophobicContact CB-CD1 4.05Å; H64-L69 HydrophobicContact CB-CG 4.3Å; H64-L272 WeakPolarHBondContact CE1-CB 3.42Å; H64-L272 PolarHBondContact NE2-O 2.72Å
65Y77.5Confident74.2Confident168 Ų16870.4 Ų70.466%0.65939%0.393SS*.THydrogen-bonded Turntrans-56112.6175.6-72.1-74.4000112D44D44-Y65 HydrophobicContact CB-CD1 4.2Å; D44-Y65 HydrophobicContact CB-CE1 4.5Å; D44-Y65 VanDerWaalsContact OD1-CA 3.25Å; D44-Y65 WeakPolarHBondContact OD1-CA 3.5Å
66G70.5Confident72.9Confident31 Ų3177 Ų7732%0.3242%0.422SS..THydrogen-bonded Turntrans78.419.2179.100000115.8Y33 D44 H64Y33-G66 PolarHBondContact OH-N 3.49Å; D44-G66 PolarHBondContact OD1-N 2.79Å; H64-G66 PolarHBondContact O-N 2.89Å
67G79.7Confident71.6Confident15 Ų1571.6 Ų71.616%0.15540%0.401CS..EExtended strand (participates in β ladder)trans162.6-170.5178.600000114.1E47 H64E47-G67 WeakPolarHBondContact OE2-CA 3.01Å; H64-G67 CarbonylContact C-O 3.58Å; H64-G67 VanDerWaalsContact C-O 3.26Å; H64-G67 VanDerWaalsContact CA-O 3.25Å; H64-G67 WeakPolarHBondContact CA-O 3.4Å; H64-G67 VanDerWaalsContact CB-O 3.27Å; H64-G67 WeakPolarHBondContact CB-O 3.38Å; H64-G67 PolarHBondContact N-O 2.79Å; H64-G67 PolarHBondContact O-N 2.03Å; H64-G67 VanDerWaalsContact O-N 3.07Å
68Y81.6Confident70.3Confident98 Ų9871.9 Ų71.938%0.38438%0.382SS..EExtended strand (participates in β ladder)trans-120.2148.517863-80.8000112.9E47 A54E47-Y68 HydrophobicContact CB-CD1 3.65Å; E47-Y68 HydrophobicContact CB-CE1 4.28Å; E47-Y68 HydrophobicContact CB-CG 4.41Å; E47-Y68 HydrophobicContact CG-CD1 4.28Å; E47-Y68 PolarHBondContact OE2-N 3.29Å; A54-Y68 HydrophobicContact CB-CD2 3.96Å; A54-Y68 HydrophobicContact CB-CE2 3.67Å
69L77.3Confident68.8Low28 Ų2874.9 Ų74.915%0.14739%0.39CS..EExtended strand (participates in β ladder)trans-103.5132.5175.1-77.2161.9000110.8V62 H64 L71 I271V62-L69 PolarHBondContact N-O 3.48Å; V62-L69 PolarHBondContact O-N 3.28Å; H64-L69 HydrophobicContact CB-CD1 4.05Å; H64-L69 HydrophobicContact CB-CG 4.3Å; L69-L71 HydrophobicContact CB-CG 4.44Å; L69-I271 HydrophobicContact CD1-CB 4.32Å; L69-I271 HydrophobicContact CD2-CB 3.94Å; L69-I271 HydrophobicContact CD2-CG2 3.98Å
70C81.2Confident66.8Low48 Ų4876.7 Ų76.732%0.32440%0.402SS..EExtended strand (participates in β ladder)trans-100.8103.2173.8-65.70000110.7C55 M59C55-C70 WeakPolarHBondContact CA-SG 3.38Å; C55-C70 HydrophobicContact CB-CB 3.72Å; C55-C70 WeakPolarHBondContact CB-SG 3.45Å; C55-C70 WeakPolarHBondContact SG-CA 3.22Å; C55-C70 WeakPolarHBondContact SG-CB 3.32Å; C55-C70 CovalentContact SG-SG 2.04Å; C55-C70 PolarHBondContact SG-SG 2.94Å; M59-C70 HydrophobicContact CB-CB 4.19Å; M59-C70 HydrophobicContact SD-CB 4.03Å
71L73.7Confident64.3Low8 Ų876.8 Ų76.84%0.04241%0.409CS..EExtended strand (participates in β ladder)trans-104.7147.3-174.3-62-177.3000112.7M59 K60 V62 L69 A75 I77 I271 I276M59-L71 CarbonylContact C-O 3.52Å; M59-L71 WeakPolarHBondContact CA-O 3.06Å; M59-L71 WeakPolarHBondContact CB-O 3.31Å; K60-L71 PolarHBondContact N-O 2.91Å; K60-L71 PolarHBondContact O-N 2.95Å; V62-L71 HydrophobicContact CG2-CD1 4.22Å; L69-L71 HydrophobicContact CB-CG 4.44Å; L71-A75 HydrophobicContact CB-CB 4.16Å; L71-A75 HydrophobicContact CD1-CB 4.42Å; L71-I77 HydrophobicContact CD1-CD1 3.53Å; L71-I77 HydrophobicContact CD1-CG1 3.42Å; L71-I77 VanDerWaalsContact CD1-CG1 3.42Å; L71-I271 HydrophobicContact CD2-CG2 4.24Å; L71-I276 HydrophobicContact CD2-CD1 4.12Å
72P68.4Low61.8Low37 Ų3783.9 Ų83.924%0.2444%0.438CS..  trans-54.8143.8163.9-2233.1000110.5T74 A75P72-T74 PolarHBondContact O-N 3.02Å; P72-A75 WeakPolarHBondContact O-CB 3.46Å; P72-A75 PolarHBondContact O-N 2.85Å
73K65.3Low59Low175 Ų17590.9 Ų90.976%0.76147%0.469SS*.THydrogen-bonded Turntrans-59.6-14.6179.8-73.3-178.6172.4172.20114.4G58G58-K73 WeakPolarHBondContact O-CE 3.33Å
74T60.1Low56.3Low123 Ų12394.4 Ų94.476%0.75549%0.494SS*.THydrogen-bonded Turntrans-88.1-12.9176.944.80000114.1P72P72-T74 PolarHBondContact O-N 3.02Å
75A51.9Low53.8Low34 Ų34100.9 Ų100.928%0.28153%0.525SS..  trans-77.2128.3-177.900000111.9L71 P72 I276L71-A75 HydrophobicContact CB-CB 4.16Å; L71-A75 HydrophobicContact CD1-CB 4.42Å; P72-A75 WeakPolarHBondContact O-CB 3.46Å; P72-A75 PolarHBondContact O-N 2.85Å; A75-I276 HydrophobicContact CB-CD1 4.18Å
76Q47.6Very low51.4Low150 Ų150101.6 Ų101.670%0.70153%0.534SS*.  trans-104.8111.9168.3-69.2-171.5-400109.9I78 R289Q76-I78 PolarHBondContact O-N 3.14Å; Q76-R289 PolarHBondContact O-NH1 2.86Å
77I48Very low49.3Very low73 Ų73109.1 Ų109.137%0.37456%0.561SS.*  trans-67.8121.7173-57163.6000108.6V62 L71 V79V62-I77 HydrophobicContact CB-CD1 3.98Å; V62-I77 HydrophobicContact CG1-CD1 3.58Å; V62-I77 HydrophobicContact CG2-CD1 3.86Å; L71-I77 HydrophobicContact CD1-CD1 3.53Å; L71-I77 HydrophobicContact CD1-CG1 3.42Å; L71-I77 VanDerWaalsContact CD1-CG1 3.42Å; I77-V79 HydrophobicContact CG2-CG2 3.89Å
78I43.1Very low46.9Very low92 Ų92114.1 Ų114.147%0.47259%0.589SS.*  trans-89.2116.8152-68173.5000105.7Q76 N80Q76-I78 PolarHBondContact O-N 3.14Å; I78-N80 WeakPolarHBondContact CG2-OD1 3.4Å; I78-N80 PolarHBondContact O-N 2.87Å
79V36.8Very low44.6Very low110 Ų110114.9 Ų114.967%0.66761%0.605SS**  trans-77.3110.4164.7-175.30000105.9I77 N81I77-V79 HydrophobicContact CG2-CG2 3.89Å; V79-N81 HydrophobicContact CG1-CB 3.86Å; V79-N81 PolarHBondContact O-N 2.72Å
80N32.4Very low42.4Very low134 Ų134119.7 Ų119.772%0.71764%0.638SS**  trans-73.959.7174.1-81.2-25.3000110.5I78I78-N80 WeakPolarHBondContact CG2-OD1 3.4Å; I78-N80 PolarHBondContact O-N 2.87Å
81N30Very low40Very low129 Ų129122 Ų12269%0.6966%0.661SS**  trans-15464.1-179-14215.3000111.9V79V79-N81 HydrophobicContact CG1-CB 3.86Å; V79-N81 PolarHBondContact O-N 2.72Å
82E29.2Very low38.1Very low182 Ų182131.3 Ų131.385%0.8570%0.704SS**  trans-166.4124.2147.4-109.1165164.900109.5
83Q24.9Very low36.3Very low182 Ų182132.5 Ų132.585%0.8572%0.723SS**  trans-65134.2165.8-66176.4-81.100107.8Q85Q83-Q85 PolarHBondContact O-N 2.85Å
84P24.6Very low34.8Very low121 Ų121130.6 Ų130.679%0.78673%0.726SS**  trans-60.2112.7169.7-18.430.5000108.4Q86P84-Q86 PolarHBondContact O-N 2.95Å
85Q26.7Very low33.5Very low181 Ų181130.6 Ų130.685%0.84673%0.731SS**  trans-60.7121.7170.2-68.8-174.53.200107.5Q83 E87Q83-Q85 PolarHBondContact O-N 2.85Å; Q85-E87 PolarHBondContact O-N 2.82Å
86Q25.8Very low32.6Very low182 Ų182132.3 Ų132.385%0.8575%0.752SS**  trans-69.496.3179.7-70177.2-80.600109.7P84 T88P84-Q86 PolarHBondContact O-N 2.95Å; Q86-T88 PolarHBondContact O-N 3.11Å
87E27.5Very low32Very low190 Ų190129.8 Ų129.889%0.88876%0.757SS**  trans-69.999159.4-73.7-165.3127.100108.9Q85 P89Q85-E87 PolarHBondContact O-N 2.82Å; E87-P89 VanDerWaalsContact O-CD 3.31Å; E87-P89 WeakPolarHBondContact O-CD 3.45Å
88T28.2Very low31.4Very low120 Ų120131.9 Ų131.974%0.73677%0.774SS**PPolyproline II helixtrans-72120.4171.146.90000111Q86Q86-T88 PolarHBondContact O-N 3.11Å
89P34.5Very low31.1Very low113 Ų113134 Ų13473%0.73479%0.791SS**PPolyproline II helixtrans-82.2137.2161.132.6-30.3000110E87E87-P89 VanDerWaalsContact O-CD 3.31Å; E87-P89 WeakPolarHBondContact O-CD 3.45Å
90P31.3Very low31.1Very low130 Ų130131.9 Ų131.984%0.84479%0.791SS**PPolyproline II helixtrans-73.2159.9173.730.9-34000111.9
91A29.5Very low31.3Very low96 Ų96131.9 Ų131.979%0.79380%0.796SS**PPolyproline II helixtrans-80.9146.1-166.100000115.4
92E34.1Very low31.6Very low203 Ų203132.5 Ų132.595%0.94980%0.804SS**  trans-179.5141.5145.5-102.4169.9-160.700107
93G31Very low32Very low62 Ų62128.3 Ų128.364%0.63980%0.8SS**  cis-179.7141.9-9.300000111
94T32.7Very low32.4Very low136 Ų136124 Ų12483%0.83480%0.796SS**  trans60.5118158.942.50000122.9
95S34.2Very low33Very low122 Ų122124.1 Ų124.185%0.85380%0.8SS**  trans63.4138.8137.265.80000121.1
96G32.6Very low33.5Very low70 Ų70120.8 Ų120.872%0.72280%0.797SS**  cis158.2165.7-4.800000112.5
97A35Very low33.9Very low97 Ų97121 Ų12180%0.80280%0.8SS**  trans67.6145.8165.500000117.7
98T36.3Very low34.3Very low118 Ų118116.3 Ų116.372%0.72479%0.794SS**  cis-166.9143.1-7.817.80000111.7
99T36.7Very low34.6Very low137 Ų137116.5 Ų116.584%0.8480%0.795SS**  trans58137.8141.259.90000125.1
100G35.2Very low34.6Very low65 Ų65117.2 Ų117.267%0.6780%0.802SS**  trans139.894.2155.200000111.5
101V36.9Very low34.7Very low134 Ų134114.4 Ų114.481%0.81280%0.797SS**  51120.760.5-163.80000109.9
102V37.8Very low34.9Very low141 Ų141116.3 Ų116.386%0.85580%0.798SS**  cis-140.4-179.541.3-131.40000109.2
103A35.6Very low35Very low94 Ų94114.7 Ų114.778%0.77780%0.795SS**  cis-154.8-168.62.100000110.2
104A33.8Very low35.2Very low93 Ų93117.5 Ų117.577%0.76980%0.802SS**  trans-140.8155.916900000111.8
105S37.9Very low35.2Very low122 Ų122114.8 Ų114.885%0.85380%0.801SS**  trans173.5150.8162.8-810000109
106S37.4Very low35.1Very low112 Ų112113 Ų11378%0.78380%0.802SS**  cis-166.8148.2-5.946.30000112.4
107M34Very low35Very low186 Ų186112.7 Ų112.792%0.91680%0.799SS**  trans-18.7143.8163.8-64170.1164.900122.8
108A36.6Very low34.7Very low92 Ų92118.4 Ų118.476%0.7681%0.806SS**  178.8118.512600000108.8
109T32.9Very low34.3Very low124 Ų124119.3 Ų119.376%0.76181%0.811SS**  65105.354.666.30000117.8
110S34.5Very low33.8Very low128 Ų128117 Ų11790%0.89581%0.806SS**  trans130.7139.3130.4-64.70000117.8
111G34.9Very low33.6Very low70 Ų70119.7 Ų119.772%0.72282%0.815SS**  trans117.585.1170.800000113.4
112V33.5Very low33.2Very low136 Ų136118.4 Ų118.482%0.82482%0.818SS**  63.3105.463.3-1740000114.4
113L35.1Very low33Very low169 Ų169115.9 Ų115.989%0.88581%0.812SS**  trans-172.3132.6134.5-101.6163.5000110.3
114P35.1Very low32.6Very low121 Ų121116.6 Ų116.679%0.78682%0.818SS**  trans-111.4164.2-17839.8-32.5000114.2
115G33.2Very low32.7Very low79 Ų79118.5 Ų118.581%0.81482%0.82SS**  trans167.5119.9161.800000117.2
116G31.8Very low32.6Very low85 Ų85117.6 Ų117.688%0.87682%0.82SS**  trans79.3119.6164.300000116.4
117G30Very low32.3Very low63 Ų63115.4 Ų115.465%0.64981%0.814SS**  cis109.284.3-5.300000114.7
118F29Very low32.3Very low217 Ų217112.7 Ų112.795%0.95281%0.81SS**  trans-148.2147150.9-81.4-66.2000110
119V28.5Very low32Very low137 Ų137116.8 Ų116.883%0.8381%0.814SS**  trans-136.3143.5-173.4-158.20000109.1
120A26.9Very low31.8Very low89 Ų89116.8 Ų116.874%0.73681%0.814SS**  trans56.6127.7161.400000119.3
121S30.3Very low31.7Very low122 Ų122120 Ų12085%0.85381%0.814SS**  -161.3135.8116.2-81.90000110.5
122A28.6Very low31.7Very low107 Ų107121.6 Ų121.688%0.88482%0.821SS**  trans-76.4142.3166.900000109.5
123A32.7Very low31.7Very low88 Ų88119 Ų11973%0.72782%0.821SS**  trans-135.298169.700000109.2
124A28.8Very low31.8Very low108 Ų108121.7 Ų121.789%0.89382%0.82SS**  trans-70.7125.216100000108
125V34.5Very low31.8Very low134 Ų134121.9 Ų121.981%0.81281%0.814SS**  trans-112.2111.5172.9179.80000108
126A36Very low32Very low103 Ų103126 Ų12685%0.85182%0.817SS**  trans-102.7116.2176.900000110.3
127G32.4Very low32.2Very low65 Ų65130.8 Ų130.867%0.6781%0.814SS**  trans69.3179.5163.600000117.2
128P34Very low32.4Very low129 Ų129133.5 Ų133.584%0.83882%0.818SS**  cis-114-178.35.239.5-28000114.7
129E28.6Very low32.6Very low179 Ų179128.8 Ų128.884%0.83680%0.802SS**  trans-64.7173.8-179.7-60.6155.890.600115.4
130V30.2Very low32.8Very low124 Ų124133.1 Ų133.175%0.75280%0.803SS**  trans128.892.5137.3178.80000113.5
131Q30.6Very low33.2Very low194 Ų194139.6 Ų139.691%0.90781%0.809SS**  17892.4127.3-98161.328.500112.2
132A35.1Very low33.4Very low104 Ų104141.3 Ų141.386%0.8681%0.808SS**  trans-118.7113.8157.600000108.3R134A132-R134 PolarHBondContact O-N 2.74Å
133G33.9Very low34Very low81 Ų81142.1 Ų142.184%0.83581%0.805SS**  trans-81.1115.8-170.500000113.8
134R37.1Very low34.3Very low227 Ų227142.3 Ų142.386%0.85781%0.806SS**  trans53131.1135.5-96.7-173.5162.6153.9-2.3121.1A132A132-R134 PolarHBondContact O-N 2.74Å
135N36.4Very low34.7Very low125 Ų125142.9 Ų142.967%0.66879%0.794SS**  trans84.489.3143.2-55-12.8000118.7
136N37.4Very low35.3Very low164 Ų164142.4 Ų142.488%0.87779%0.794SS**  -156.4110.5101.8-100.6-25.8000111.9V138N136-V138 PolarHBondContact O-N 3.34Å
137F34.3Very low35.3Very low186 Ų186145.1 Ų145.182%0.81679%0.789SS**  trans-95.595.6-175.2-153.6-123.4000109.7I139F137-I139 HydrophobicContact CD1-CD1 3.79Å; F137-I139 HydrophobicContact CD1-CG1 3.48Å; F137-I139 VanDerWaalsContact CD1-CG1 3.48Å; F137-I139 HydrophobicContact CE1-CD1 3.44Å; F137-I139 VanDerWaalsContact CE1-CD1 3.44Å; F137-I139 HydrophobicContact CE1-CG1 3.39Å; F137-I139 HydrophobicContact CG-CG1 4.34Å; F137-I139 HydrophobicContact CZ-CD1 4.42Å; F137-I139 HydrophobicContact CZ-CG1 4.17Å
138V35.9Very low35.5Very low120 Ų120153.3 Ų153.373%0.72780%0.8SS**  trans-101.988.4168.7-177.60000108.8N136 R140N136-V138 PolarHBondContact O-N 3.34Å; V138-R140 PolarHBondContact O-N 3.38Å
139I32.2Very low35.7Very low119 Ų119154.8 Ų154.861%0.6180%0.799SS**  trans-67.2102.1169.4-45.7174.3000108.2F137F137-I139 HydrophobicContact CD1-CD1 3.79Å; F137-I139 HydrophobicContact CD1-CG1 3.48Å; F137-I139 VanDerWaalsContact CD1-CG1 3.48Å; F137-I139 HydrophobicContact CE1-CD1 3.44Å; F137-I139 VanDerWaalsContact CE1-CD1 3.44Å; F137-I139 HydrophobicContact CE1-CG1 3.39Å; F137-I139 HydrophobicContact CG-CG1 4.34Å; F137-I139 HydrophobicContact CZ-CD1 4.42Å; F137-I139 HydrophobicContact CZ-CG1 4.17Å
140R33.9Very low36.2Very low227 Ų227151.2 Ų151.286%0.85779%0.791SS**PPolyproline II helixtrans-83.8117.4153.1-71.4-164.5-174-102.43.5107.6V138 N142V138-R140 PolarHBondContact O-N 3.38Å; R140-N142 PolarHBondContact O-N 2.89Å
141R34.8Very low36.6Very low225 Ų225150.5 Ų150.585%0.84979%0.792SS**PPolyproline II helixtrans-65.2126.8-176.9-61.7174.6178.1179.5-2.6109.8P143R141-P143 WeakPolarHBondContact O-CD 3.38Å
142N34.3Very low37.3Very low158 Ų158147 Ų14785%0.84578%0.779SS**PPolyproline II helixtrans-67124.5150.5-90.42.2000107.7R140 A144R140-N142 PolarHBondContact O-N 2.89Å; N142-A144 PolarHBondContact O-N 3.28Å
143P41.2Very low37.9Very low125 Ų125148.2 Ų148.281%0.81278%0.778SS**  trans-75.2112.5159.3-1.420.2000107.1R141R141-P143 WeakPolarHBondContact O-CD 3.38Å
144A38.7Very low38.9Very low92 Ų92149.2 Ų149.276%0.7677%0.773SS**  trans-70.8141.4167.500000110.3N142N142-A144 PolarHBondContact O-N 3.28Å
145D37.7Very low39.7Very low120 Ų120145.7 Ų145.764%0.64277%0.766SS**  trans-0.2118155.5-176.220.5000117.9Q147D145-Q147 PolarHBondContact OD1-N 2.84Å
146P46.2Very low40.9Very low124 Ų124149.9 Ų149.981%0.80577%0.772SS**  trans-110.9103.4145.932.7-21.9000110.6R148P146-R148 PolarHBondContact O-N 2.75Å
147Q36.4Very low42.5Very low160 Ų160145.3 Ų145.375%0.74875%0.747SS**  trans-52125.1174.6-66.4-167.1-9.500112.3D145D145-Q147 PolarHBondContact OD1-N 2.84Å
148R35.9Very low44.6Very low236 Ų236145.8 Ų145.889%0.89175%0.751SS**  trans-150.596155.2-117.4177.2-157.3-106.60.8111.7P146 P150P146-R148 PolarHBondContact O-N 2.75Å; R148-P150 WeakPolarHBondContact O-CD 3.46Å
149I38.3Very low46.9Very low160 Ų160141.6 Ų141.682%0.82173%0.727SS**  trans-65.7124.4159.7-60.7161.5000107
150P39.7Very low49.4Very low105 Ų105139.2 Ų139.268%0.68273%0.725SS**  -141.5120.9118.727.1-8.2000114.1R148R148-P150 WeakPolarHBondContact O-CD 3.46Å
151S38.5Very low51.8Low108 Ų108133 Ų13376%0.75572%0.723SS**  trans36.589.1138.262.10000119.8
152N45.2Very low54.1Low121 Ų121123 Ų12365%0.64769%0.689SS**  -164.2100.7128.8-165.5-4.6000112.4S154N152-S154 VanDerWaalsContact C-N 3.33Å; N152-S154 PolarHBondContact O-N 2.97Å; N152-S154 VanDerWaalsContact O-N 3.08Å
153P47.9Very low56.8Low129 Ų129119 Ų11984%0.83866%0.663SS**THydrogen-bonded Turntrans-85.766.8179.436.4-34.2000111.4
154S54.6Low58.9Low103 Ų103118.3 Ų118.372%0.7265%0.649SS**THydrogen-bonded Turntrans-156.4-5.2178.4-74.40000116.7N152 R156N152-S154 VanDerWaalsContact C-N 3.33Å; N152-S154 PolarHBondContact O-N 2.97Å; N152-S154 VanDerWaalsContact O-N 3.08Å; S154-R156 PolarHBondContact O-N 2.66Å
155H55.2Low61.1Low153 Ų153116.8 Ų116.871%0.70863%0.626SS**  trans-9695.9-174.5-147.5-88.7000112.3I157H155-I157 PolarHBondContact O-N 3.4Å
156R60.3Low63.2Low212 Ų212112.5 Ų112.580%0.861%0.605SS**  trans-60.5120.9168.6-167.1-175.5-166.6-155.33.6108.9S154S154-R156 PolarHBondContact O-N 2.66Å
157I70.9Confident64.7Low69 Ų69115.6 Ų115.635%0.35461%0.609SS.*  trans-79.8134.2178.3-62.4176.7000108.3H155 C159 N169H155-I157 PolarHBondContact O-N 3.4Å; I157-C159 PolarHBondContact O-N 2.79Å; I157-N169 HydrophobicContact CD1-CB 3.94Å; I157-N169 VanDerWaalsContact CD1-O 3.22Å; I157-N169 WeakPolarHBondContact CD1-O 3.43Å
158Q79.9Confident66.7Low195 Ų195115.3 Ų115.391%0.91161%0.608SS**  trans-82.198.2169.5-69.3-178-4.600108.3
159C83.1Confident68.8Low33 Ų33108.8 Ų108.822%0.22359%0.59CS.*PPolyproline II helixtrans-71.4154.1170.7-61.90000110.7I157 Y163 C171I157-C159 PolarHBondContact O-N 2.79Å; C159-Y163 WeakPolarHBondContact CB-O 3.49Å; C159-C171 WeakPolarHBondContact CA-SG 3.33Å; C159-C171 HydrophobicContact CB-CB 3.79Å; C159-C171 WeakPolarHBondContact CB-SG 3.48Å; C159-C171 WeakPolarHBondContact SG-CA 3.45Å; C159-C171 WeakPolarHBondContact SG-CB 3.46Å; C159-C171 CovalentContact SG-SG 2.04Å; C159-C171 PolarHBondContact SG-SG 2.74Å
160A84.1Confident71Confident68 Ų68105.2 Ų105.256%0.56258%0.576SS**PPolyproline II helixtrans-66.1162.5173.300000110.8G162 Y163A160-G162 PolarHBondContact O-N 2.84Å; A160-Y163 HydrophobicContact CB-CD2 4.09Å; A160-Y163 PolarHBondContact O-N 2.84Å; A160-Y163 VanDerWaalsContact O-N 3.07Å
161A85.4Confident73.3Confident97 Ų97102.5 Ų102.580%0.80256%0.559SS**THydrogen-bonded Turntrans-55.9138.1170.300000110.3
162G83.3Confident75.7Confident15 Ų15102.8 Ų102.816%0.15555%0.548CS..THydrogen-bonded Turntrans83.94.4-171.700000115.2A160 I174A160-G162 PolarHBondContact O-N 2.84Å; G162-I174 PolarHBondContact O-N 2.9Å
163Y89.6Confident77.9Confident74 Ų7498.7 Ų98.729%0.2953%0.526SS..EExtended strand (participates in β ladder)trans-130.2140.1179.2-65.1-100.6000112.6C159 A160 C171 Q172 D173 R194 G195C159-Y163 WeakPolarHBondContact CB-O 3.49Å; A160-Y163 HydrophobicContact CB-CD2 4.09Å; A160-Y163 PolarHBondContact O-N 2.84Å; A160-Y163 VanDerWaalsContact O-N 3.07Å; Y163-C171 HydrophobicContact CD1-CB 4.48Å; Y163-Q172 CarbonylContact C-O 3.59Å; Y163-Q172 WeakPolarHBondContact CA-O 3.35Å; Y163-Q172 WeakPolarHBondContact CB-O 3.24Å; Y163-D173 HydrophobicContact CE1-CB 4.45Å; Y163-R194 PolarHBondContact OH-O 2.94Å; Y163-G195 PolarHBondContact OH-N 3.25Å
164E86.8Confident79.9Confident110 Ų11094.7 Ų94.751%0.51450%0.497SS..EExtended strand (participates in β ladder)trans-114.1158.6174.564.5172.2-16400112.7C171 Q172 I174E164-C171 CarbonylContact O-C 3.59Å; E164-C171 VanDerWaalsContact O-CA 3.31Å; E164-C171 WeakPolarHBondContact O-CA 3.27Å; E164-Q172 PolarHBondContact N-O 2.98Å; E164-Q172 PolarHBondContact O-N 2.85Å; E164-I174 HydrophobicContact CB-CD1 4.22Å; E164-I174 HydrophobicContact CB-CG1 3.82Å; E164-I174 HydrophobicContact CG-CG1 3.87Å
165Q83.8Confident81.7Confident61 Ų6192.3 Ų92.329%0.28548%0.476SS..EExtended strand (participates in β ladder)trans-89111-178.5-175.9177.97.200110.1N169Q165-N169 PolarHBondContact NE2-OD1 2.04Å
166S81.6Confident83.5Confident29 Ų2986 Ų8620%0.20345%0.447CS..  trans-69.8166.9174.875.50000112.5H168 N169 V170S166-H168 PolarHBondContact O-N 2.82Å; S166-H168 PolarHBondContact OG-N 3.04Å; S166-N169 PolarHBondContact O-N 3.4Å; S166-V170 PolarHBondContact N-O 2.77Å; S166-V170 PolarHBondContact OG-N 2.85Å; S166-V170 PolarHBondContact OG-O 3.41Å
167E78.5Confident85Confident190 Ų19077.6 Ų77.689%0.88842%0.421SS*.THydrogen-bonded Turntrans-54.8-18.1176.3-61.2-167.8153.900114.1
168H78.8Confident86Confident154 Ų15479.9 Ų79.971%0.71344%0.438SS*.THydrogen-bonded Turntrans-97.613.3178.9-60.8-28.6000114S166 V170S166-H168 PolarHBondContact O-N 2.82Å; S166-H168 PolarHBondContact OG-N 3.04Å; H168-V170 VanDerWaalsContact C-N 3.27Å; H168-V170 HydrophobicContact CB-CG2 4.27Å; H168-V170 PolarHBondContact O-N 3.09Å
169N79.9Confident86.5Confident98 Ų9873.5 Ų73.552%0.52442%0.419SS..SBendtrans56.839.4-173-60.4-51.2000112.6I157 Q165 S166I157-N169 HydrophobicContact CD1-CB 3.94Å; I157-N169 VanDerWaalsContact CD1-O 3.22Å; I157-N169 WeakPolarHBondContact CD1-O 3.43Å; Q165-N169 PolarHBondContact NE2-OD1 2.04Å; S166-N169 PolarHBondContact O-N 3.4Å
170V84.9Confident86.7Confident86 Ų8674.6 Ų74.652%0.52144%0.435SS..  trans-112.1133.7173.5-177.60000108.2S166 H168 Q172S166-V170 PolarHBondContact N-O 2.77Å; S166-V170 PolarHBondContact OG-N 2.85Å; S166-V170 PolarHBondContact OG-O 3.41Å; H168-V170 VanDerWaalsContact C-N 3.27Å; H168-V170 HydrophobicContact CB-CG2 4.27Å; H168-V170 PolarHBondContact O-N 3.09Å; V170-Q172 PolarHBondContact O-N 3.32Å; V170-Q172 VanDerWaalsContact O-N 3.14Å
171C86.9Confident87Confident47 Ų4775.6 Ų75.632%0.31844%0.435SS..EExtended strand (participates in β ladder)trans-72.8104.7171.4-64.50000109.1C159 Y163 E164C159-C171 WeakPolarHBondContact CA-SG 3.33Å; C159-C171 HydrophobicContact CB-CB 3.79Å; C159-C171 WeakPolarHBondContact CB-SG 3.48Å; C159-C171 WeakPolarHBondContact SG-CA 3.45Å; C159-C171 WeakPolarHBondContact SG-CB 3.46Å; C159-C171 CovalentContact SG-SG 2.04Å; C159-C171 PolarHBondContact SG-SG 2.74Å; Y163-C171 HydrophobicContact CD1-CB 4.48Å; E164-C171 CarbonylContact O-C 3.59Å; E164-C171 VanDerWaalsContact O-CA 3.31Å; E164-C171 WeakPolarHBondContact O-CA 3.27Å
172Q89.7Confident87.2Confident115 Ų11574.1 Ų74.154%0.53741%0.411SS..EExtended strand (participates in β ladder)trans-94.1147.7174.4-178.5168.9-29.500109.4Y163 E164 V170Y163-Q172 CarbonylContact C-O 3.59Å; Y163-Q172 WeakPolarHBondContact CA-O 3.35Å; Y163-Q172 WeakPolarHBondContact CB-O 3.24Å; E164-Q172 PolarHBondContact N-O 2.98Å; E164-Q172 PolarHBondContact O-N 2.85Å; V170-Q172 PolarHBondContact O-N 3.32Å; V170-Q172 VanDerWaalsContact O-N 3.14Å
173D91.1Very high87.5Confident35 Ų3579.8 Ų79.819%0.18744%0.438CS..EExtended strand (participates in β ladder)trans-57129.8171.4-168.744.3000111.2Y163 D175 N192 R194 G195Y163-D173 HydrophobicContact CE1-CB 4.45Å; D173-D175 PolarHBondContact O-N 2.83Å; D173-N192 PolarHBondContact OD2-ND2 3.18Å; D173-R194 VanDerWaalsContact OD1-CA 3.3Å; D173-R194 WeakPolarHBondContact OD1-CA 3.41Å; D173-G195 PolarHBondContact OD1-N 2.03Å
174I89.7Confident87.5Confident44 Ų4477.2 Ų77.223%0.22643%0.43CS..  trans-79113.7171.5-61.3170.6000106.7G162 E164 E176 N192G162-I174 PolarHBondContact O-N 2.9Å; E164-I174 HydrophobicContact CB-CD1 4.22Å; E164-I174 HydrophobicContact CB-CG1 3.82Å; E164-I174 HydrophobicContact CG-CG1 3.87Å; I174-E176 VanDerWaalsContact C-N 3.34Å; I174-E176 HydrophobicContact CG2-CG 4.03Å; I174-E176 PolarHBondContact O-N 2.91Å; I174-N192 PolarHBondContact O-OD1 2.81Å
175D91.7Very high87.6Confident53 Ų5377.2 Ų77.228%0.28343%0.425SS..  trans-74.889.9169.9178.2-0.1000109.5D173 C177 T178 A179 N192D173-D175 PolarHBondContact O-N 2.83Å; D175-C177 PolarHBondContact O-N 3.5Å; D175-C177 VanDerWaalsContact O-N 3.13Å; D175-C177 WeakPolarHBondContact OD1-CA 3.33Å; D175-C177 VanDerWaalsContact OD1-CB 3.28Å; D175-C177 WeakPolarHBondContact OD1-CB 3.03Å; D175-C177 PolarHBondContact OD1-N 2.8Å; D175-T178 WeakPolarHBondContact CB-OG1 3.36Å; D175-T178 PolarHBondContact O-N 2.83Å; D175-T178 PolarHBondContact O-OG1 2.93Å; D175-T178 PolarHBondContact OD1-N 2.9Å; D175-T178 VanDerWaalsContact OD1-N 3.1Å; D175-T178 WeakPolarHBondContact OD2-CB 3.39Å; D175-T178 VanDerWaalsContact OD2-CG2 3.23Å; D175-T178 WeakPolarHBondContact OD2-CG2 3.27Å; D175-T178 PolarHBondContact OD2-OG1 2.85Å; D175-A179 VanDerWaalsContact O-CB 3.28Å; D175-A179 WeakPolarHBondContact O-CB 3.02Å; D175-A179 PolarHBondContact O-N 2.94Å; D175-N192 WeakPolarHBondContact OD1-CB 3.28Å
176E93Very high87.8Confident21 Ų2179.9 Ų79.910%0.09846%0.458CS..Hα-helixtrans-64-18.4-178.5-61.8108.5156.800112.8I174 G180 T181 H182 F197I174-E176 VanDerWaalsContact C-N 3.34Å; I174-E176 HydrophobicContact CG2-CG 4.03Å; I174-E176 PolarHBondContact O-N 2.91Å; E176-G180 PolarHBondContact O-N 2.78Å; E176-T181 WeakPolarHBondContact CA-OG1 3.47Å; E176-T181 VanDerWaalsContact CB-OG1 3.29Å; E176-T181 WeakPolarHBondContact CB-OG1 3.4Å; E176-T181 WeakPolarHBondContact CG-OG1 3.38Å; E176-T181 PolarHBondContact O-N 2.68Å; E176-T181 VanDerWaalsContact O-N 3.07Å; E176-H182 HydrophobicContact CB-CB 4.43Å; E176-H182 PolarHBondContact O-CD2 3.38Å; E176-H182 PolarHBondContact O-N 2.79Å; E176-F197 HydrophobicContact CB-CB 4.18Å; E176-F197 HydrophobicContact CB-CD1 3.76Å; E176-F197 HydrophobicContact CB-CG 4.13Å; E176-F197 HydrophobicContact CG-CD1 3.83Å; E176-F197 HydrophobicContact CG-CE1 4.47Å; E176-F197 WeakPolarHBondContact OE2-CB 3.5Å; E176-F197 PolarHBondContact OE2-N 2.96Å
177C93.1Very high88.2Confident36 Ų3681 Ų8124%0.24346%0.462CS..Hα-helixtrans-77.2-38.4177.7-54.10000112.7D175 C190 I191 N192D175-C177 PolarHBondContact O-N 3.5Å; D175-C177 VanDerWaalsContact O-N 3.13Å; D175-C177 WeakPolarHBondContact OD1-CA 3.33Å; D175-C177 VanDerWaalsContact OD1-CB 3.28Å; D175-C177 WeakPolarHBondContact OD1-CB 3.03Å; D175-C177 PolarHBondContact OD1-N 2.8Å; C177-C190 WeakPolarHBondContact CA-SG 3.36Å; C177-C190 HydrophobicContact CB-CB 3.75Å; C177-C190 WeakPolarHBondContact CB-SG 3.29Å; C177-C190 WeakPolarHBondContact SG-CB 3.05Å; C177-C190 CovalentContact SG-SG 2.04Å; C177-C190 PolarHBondContact SG-SG 3.38Å; C177-I191 VanDerWaalsContact SG-C 3.51Å; C177-I191 PolarHBondContact SG-N 3.47Å; C177-I191 VanDerWaalsContact SG-N 3.43Å; C177-N192 PolarHBondContact SG-N 2.88Å
178T92.2Very high88.8Confident117 Ų11773.6 Ų73.672%0.71843%0.427SS*.Hα-helixtrans-83.9-29170.851.30000113.1D175 G180D175-T178 WeakPolarHBondContact CB-OG1 3.36Å; D175-T178 PolarHBondContact O-N 2.83Å; D175-T178 PolarHBondContact O-OG1 2.93Å; D175-T178 PolarHBondContact OD1-N 2.9Å; D175-T178 VanDerWaalsContact OD1-N 3.1Å; D175-T178 WeakPolarHBondContact OD2-CB 3.39Å; D175-T178 VanDerWaalsContact OD2-CG2 3.23Å; D175-T178 WeakPolarHBondContact OD2-CG2 3.27Å; D175-T178 PolarHBondContact OD2-OG1 2.85Å; T178-G180 VanDerWaalsContact C-N 3.28Å; T178-G180 PolarHBondContact O-N 2.81Å
179A89.4Confident89.5Confident61 Ų6169.5 Ų69.550%0.50441%0.413SS..Hα-helixtrans-73.6-16.7174.500000113.8D175 T181D175-A179 VanDerWaalsContact O-CB 3.28Å; D175-A179 WeakPolarHBondContact O-CB 3.02Å; D175-A179 PolarHBondContact O-N 2.94Å; A179-T181 VanDerWaalsContact C-N 3.25Å; A179-T181 HydrophobicContact CB-CG2 4.12Å; A179-T181 PolarHBondContact O-N 3Å
180G87.8Confident90.2Very high55 Ų5566.2 Ų66.257%0.56740%0.397SS*.THydrogen-bonded Turntrans68.722.2-176.800000113.8E176 T178E176-G180 PolarHBondContact O-N 2.78Å; T178-G180 VanDerWaalsContact C-N 3.28Å; T178-G180 PolarHBondContact O-N 2.81Å
181T89.3Confident90.6Very high90 Ų9065 Ų6555%0.55239%0.387SS*.  trans-95-2.4-177.8510000113.2E176 A179E176-T181 WeakPolarHBondContact CA-OG1 3.47Å; E176-T181 VanDerWaalsContact CB-OG1 3.29Å; E176-T181 WeakPolarHBondContact CB-OG1 3.4Å; E176-T181 WeakPolarHBondContact CG-OG1 3.38Å; E176-T181 PolarHBondContact O-N 2.68Å; E176-T181 VanDerWaalsContact O-N 3.07Å; A179-T181 VanDerWaalsContact C-N 3.25Å; A179-T181 HydrophobicContact CB-CG2 4.12Å; A179-T181 PolarHBondContact O-N 3Å
182H89.6Confident90.9Very high65 Ų6565.2 Ų65.230%0.30139%0.385SS..  trans-66.1154.5173.965.377.6000113E176 C184 F197E176-H182 HydrophobicContact CB-CB 4.43Å; E176-H182 PolarHBondContact O-CD2 3.38Å; E176-H182 PolarHBondContact O-N 2.79Å; H182-C184 PolarHBondContact ND1-N 2.7Å; H182-F197 HydrophobicContact CB-CD1 4.47Å; H182-F197 HydrophobicContact CB-CD2 3.62Å; H182-F197 HydrophobicContact CB-CE2 3.7Å; H182-F197 HydrophobicContact CB-CG 4.04Å; H182-F197 HydrophobicContact CB-CZ 4.18Å
183N90.5Very high91Very high135 Ų13563.8 Ų63.872%0.72238%0.381SS*.  trans-103.917.8173.569.9-1000113.9F197N183-F197 HydrophobicContact CB-CZ 4.48Å; N183-F197 WeakPolarHBondContact OD1-CE2 3.36Å; N183-F197 VanDerWaalsContact OD1-CZ 3.29Å; N183-F197 WeakPolarHBondContact OD1-CZ 3.43Å
184C89.9Confident91Very high19 Ų1972.8 Ų72.813%0.12841%0.412CS..  trans-57.1141.9175.9-53.20000112.5H182 Q188 C199H182-C184 PolarHBondContact ND1-N 2.7Å; C184-Q188 HydrophobicContact CB-CB 4.26Å; C184-C199 WeakPolarHBondContact CA-SG 3.35Å; C184-C199 HydrophobicContact CB-CB 3.64Å; C184-C199 WeakPolarHBondContact CB-SG 3.43Å; C184-C199 PolarHBondContact N-SG 3.43Å; C184-C199 VanDerWaalsContact SG-CA 3.56Å; C184-C199 WeakPolarHBondContact SG-CB 3.41Å; C184-C199 CovalentContact SG-SG 2.03Å; C184-C199 PolarHBondContact SG-SG 3.18Å
185R88.6Confident90.9Very high110 Ų11071.7 Ų71.742%0.41541%0.412SS..  trans-71.5162174.1-67172.1156.3-95.81.8110.7D187 Q188 E210R185-D187 WeakPolarHBondContact CB-OD1 3.4Å; R185-D187 PolarHBondContact O-N 3.33Å; R185-Q188 HydrophobicContact CB-CG 4.29Å; R185-Q188 VanDerWaalsContact N-OE1 3.11Å; R185-Q188 WeakPolarHBondContact O-CB 3.06Å; R185-Q188 PolarHBondContact O-N 2.92Å; R185-E210 WeakPolarHBondContact CD-O 3.46Å; R185-E210 IonicContact CZ-OE2 3.78Å; R185-E210 PolarHBondContact NE-O 3.04Å; R185-E210 IonicContact NE-OE2 3.42Å; R185-E210 IonicContact NH2-OE2 3.2Å; R185-E210 PolarHBondContact NH2-OE2 3.02Å
186A88Confident90.9Very high117 Ų11772.1 Ų72.197%0.96742%0.419SS*.THydrogen-bonded Turntrans-64.9-17.8-17900000114.4
187D89.4Confident90.8Very high54 Ų5473.5 Ų73.529%0.28942%0.424SS..THydrogen-bonded Turntrans-92.29.3174.361.4-40.7000113.4R185 P202 Q211 C212R185-D187 WeakPolarHBondContact CB-OD1 3.4Å; R185-D187 PolarHBondContact O-N 3.33Å; D187-P202 VanDerWaalsContact O-CD 3.3Å; D187-P202 WeakPolarHBondContact O-CD 3.17Å; D187-Q211 WeakPolarHBondContact OD2-CA 3.05Å; D187-C212 HydrophobicContact CB-CB 4.33Å; D187-C212 WeakPolarHBondContact O-CB 3.26Å; D187-C212 PolarHBondContact O-SG 2.95Å; D187-C212 VanDerWaalsContact O-SG 3.39Å; D187-C212 PolarHBondContact OD2-N 3.24Å
188Q92.3Very high90.8Very high33 Ų3373 Ų7315%0.15442%0.423CS..SBendtrans-123.1145.7-175.5-67.5166.80.500112.1C184 R185 C199 Q200 E210C184-Q188 HydrophobicContact CB-CB 4.26Å; R185-Q188 HydrophobicContact CB-CG 4.29Å; R185-Q188 VanDerWaalsContact N-OE1 3.11Å; R185-Q188 WeakPolarHBondContact O-CB 3.06Å; R185-Q188 PolarHBondContact O-N 2.92Å; Q188-C199 HydrophobicContact CB-CB 4.25Å; Q188-C199 VanDerWaalsContact OE1-CB 3.31Å; Q188-Q200 CarbonylContact C-O 3.45Å; Q188-Q200 WeakPolarHBondContact CA-O 3.39Å; Q188-E210 PolarHBondContact NE2-O 3.04Å
189V92.3Very high90.8Very high69 Ų6969.1 Ų69.142%0.41840%0.4SS..EExtended strand (participates in β ladder)trans-90.8127.5171.5-174.60000108.9Q200 P202V189-Q200 PolarHBondContact N-O 2.78Å; V189-Q200 PolarHBondContact O-N 2.66Å; V189-P202 HydrophobicContact CG2-CB 4.25Å; V189-P202 HydrophobicContact CG2-CG 4.02Å
190C94.1Very high91Very high28 Ų2871.3 Ų71.319%0.18940%0.4CS..EExtended strand (participates in β ladder)trans-77.4131.4171.1-173.20000110.1C177C177-C190 WeakPolarHBondContact CA-SG 3.36Å; C177-C190 HydrophobicContact CB-CB 3.75Å; C177-C190 WeakPolarHBondContact CB-SG 3.29Å; C177-C190 WeakPolarHBondContact SG-CB 3.05Å; C177-C190 CovalentContact SG-SG 2.04Å; C177-C190 PolarHBondContact SG-SG 3.38Å
191I93.3Very high91.2Very high62 Ų6269.9 Ų69.932%0.31838%0.381SS..EExtended strand (participates in β ladder)trans-123.7117.1174.1-59.3175.6000107.8C177 L193 A198 Q200C177-I191 VanDerWaalsContact SG-C 3.51Å; C177-I191 PolarHBondContact SG-N 3.47Å; C177-I191 VanDerWaalsContact SG-N 3.43Å; I191-L193 HydrophobicContact CG2-CD2 4.34Å; I191-A198 PolarHBondContact N-O 3.35Å; I191-A198 PolarHBondContact O-N 2.71Å; I191-Q200 HydrophobicContact CD1-CB 4.12Å; I191-Q200 VanDerWaalsContact CD1-CD 3.48Å; I191-Q200 HydrophobicContact CD1-CG 3.93Å
192N93.4Very high91.3Very high50 Ų5067.3 Ų67.327%0.26737%0.366SS..EExtended strand (participates in β ladder)trans-71.3137.6177-175.239.9000111.3D173 I174 D175 C177D173-N192 PolarHBondContact OD2-ND2 3.18Å; I174-N192 PolarHBondContact O-OD1 2.81Å; D175-N192 WeakPolarHBondContact OD1-CB 3.28Å; C177-N192 PolarHBondContact SG-N 2.88Å
193L92.4Very high91.4Very high85 Ų8570 Ų7045%0.44539%0.389SS..EExtended strand (participates in β ladder)trans-130.4159.2177-54.1173.2000109.1I191 G195 S196 A198I191-L193 HydrophobicContact CG2-CD2 4.34Å; L193-G195 PolarHBondContact O-N 2.85Å; L193-S196 CarbonylContact C-O 3.45Å; L193-S196 WeakPolarHBondContact CA-O 3.35Å; L193-S196 WeakPolarHBondContact CB-O 3.43Å; L193-S196 PolarHBondContact N-O 2.81Å; L193-S196 PolarHBondContact O-N 2.86Å; L193-S196 VanDerWaalsContact O-N 3.12Å; L193-A198 HydrophobicContact CD1-CB 3.73Å; L193-A198 HydrophobicContact CG-CB 4.4Å
194R90.5Very high91.4Very high225 Ų22564.3 Ų64.385%0.84936%0.362SS*.THydrogen-bonded Turntrans-68.5104-178-73.3-175.9178.6167.20.1112.6Y163 D173Y163-R194 PolarHBondContact OH-O 2.94Å; D173-R194 VanDerWaalsContact OD1-CA 3.3Å; D173-R194 WeakPolarHBondContact OD1-CA 3.41Å
195G87.5Confident91.6Very high21 Ų2166.8 Ų66.822%0.21637%0.37CS..THydrogen-bonded Turntrans87.613.9-17800000114.9Y163 D173 L193Y163-G195 PolarHBondContact OH-N 3.25Å; D173-G195 PolarHBondContact OD1-N 2.03Å; L193-G195 PolarHBondContact O-N 2.85Å
196S91.8Very high91.7Very high62 Ų6265.6 Ų65.643%0.43437%0.369SS..EExtended strand (participates in β ladder)trans-172.5170.3180-153.60000112L193L193-S196 CarbonylContact C-O 3.45Å; L193-S196 WeakPolarHBondContact CA-O 3.35Å; L193-S196 WeakPolarHBondContact CB-O 3.43Å; L193-S196 PolarHBondContact N-O 2.81Å; L193-S196 PolarHBondContact O-N 2.86Å; L193-S196 VanDerWaalsContact O-N 3.12Å
197F92.4Very high91.9Very high49 Ų4966.7 Ų66.722%0.21535%0.352CS..EExtended strand (participates in β ladder)trans-118.3157.3169.261.9-79.8000111.4E176 H182 N183E176-F197 HydrophobicContact CB-CB 4.18Å; E176-F197 HydrophobicContact CB-CD1 3.76Å; E176-F197 HydrophobicContact CB-CG 4.13Å; E176-F197 HydrophobicContact CG-CD1 3.83Å; E176-F197 HydrophobicContact CG-CE1 4.47Å; E176-F197 WeakPolarHBondContact OE2-CB 3.5Å; E176-F197 PolarHBondContact OE2-N 2.96Å; H182-F197 HydrophobicContact CB-CD1 4.47Å; H182-F197 HydrophobicContact CB-CD2 3.62Å; H182-F197 HydrophobicContact CB-CE2 3.7Å; H182-F197 HydrophobicContact CB-CG 4.04Å; H182-F197 HydrophobicContact CB-CZ 4.18Å; N183-F197 HydrophobicContact CB-CZ 4.48Å; N183-F197 WeakPolarHBondContact OD1-CE2 3.36Å; N183-F197 VanDerWaalsContact OD1-CZ 3.29Å; N183-F197 WeakPolarHBondContact OD1-CZ 3.43Å
198A91.9Very high91.8Very high25 Ų2572.6 Ų72.621%0.20737%0.37CS..EExtended strand (participates in β ladder)trans-121.2134.8169.900000110.9I191 L193I191-A198 PolarHBondContact N-O 3.35Å; I191-A198 PolarHBondContact O-N 2.71Å; L193-A198 HydrophobicContact CD1-CB 3.73Å; L193-A198 HydrophobicContact CG-CB 4.4Å
199C92.2Very high91.5Very high37 Ų3774 Ų7425%0.2539%0.393CS..EExtended strand (participates in β ladder)trans-98.9115.4172.7-49.50000108.9C184 Q188C184-C199 WeakPolarHBondContact CA-SG 3.35Å; C184-C199 HydrophobicContact CB-CB 3.64Å; C184-C199 WeakPolarHBondContact CB-SG 3.43Å; C184-C199 PolarHBondContact N-SG 3.43Å; C184-C199 VanDerWaalsContact SG-CA 3.56Å; C184-C199 WeakPolarHBondContact SG-CB 3.41Å; C184-C199 CovalentContact SG-SG 2.03Å; C184-C199 PolarHBondContact SG-SG 3.18Å; Q188-C199 HydrophobicContact CB-CB 4.25Å; Q188-C199 VanDerWaalsContact OE1-CB 3.31Å
200Q93.1Very high91.2Very high106 Ų10676.7 Ų76.750%0.49540%0.401SS..EExtended strand (participates in β ladder)trans-118158.3180-62.7-17114.600110.4Q188 V189 I191Q188-Q200 CarbonylContact C-O 3.45Å; Q188-Q200 WeakPolarHBondContact CA-O 3.39Å; V189-Q200 PolarHBondContact N-O 2.78Å; V189-Q200 PolarHBondContact O-N 2.66Å; I191-Q200 HydrophobicContact CD1-CB 4.12Å; I191-Q200 VanDerWaalsContact CD1-CD 3.48Å; I191-Q200 HydrophobicContact CD1-CG 3.93Å
201C93.2Very high90.9Very high25 Ų2581.1 Ų81.117%0.16942%0.419CS..PPolyproline II helixtrans-71.5150.2171.4-63.40000110.3Y205 C212C201-Y205 WeakPolarHBondContact CB-O 3.46Å; C201-C212 WeakPolarHBondContact CA-SG 3.35Å; C201-C212 HydrophobicContact CB-CB 3.7Å; C201-C212 WeakPolarHBondContact CB-SG 3.42Å; C201-C212 WeakPolarHBondContact SG-CA 3.25Å; C201-C212 WeakPolarHBondContact SG-CB 3.37Å; C201-C212 CovalentContact SG-SG 2.04Å; C201-C212 PolarHBondContact SG-SG 3.39Å
202P91.8Very high90.9Very high37 Ų3779 Ų7924%0.2441%0.409CS..PPolyproline II helixtrans-56157170.8-20.930.4000111.7D187 V189 G204 Y205D187-P202 VanDerWaalsContact O-CD 3.3Å; D187-P202 WeakPolarHBondContact O-CD 3.17Å; V189-P202 HydrophobicContact CG2-CB 4.25Å; V189-P202 HydrophobicContact CG2-CG 4.02Å; P202-G204 PolarHBondContact O-N 2.84Å; P202-Y205 HydrophobicContact CB-CD2 3.92Å; P202-Y205 HydrophobicContact CB-CE2 4.46Å; P202-Y205 HydrophobicContact CG-CD2 4.31Å; P202-Y205 WeakPolarHBondContact O-CB 3.48Å; P202-Y205 PolarHBondContact O-N 3.18Å
203P90.7Very high90.9Very high120 Ų12078.3 Ų78.378%0.77941%0.407SS*.THydrogen-bonded Turntrans-51.6138168.7-24.634.8000111.3Y205P203-Y205 VanDerWaalsContact C-N 3.34Å
204G90.7Very high91Very high16 Ų1676.5 Ų76.517%0.16540%0.398CS..THydrogen-bonded Turntrans85.1-3.2-172.300000115P202 I215P202-G204 PolarHBondContact O-N 2.84Å; G204-I215 WeakPolarHBondContact O-CB 3.49Å; G204-I215 WeakPolarHBondContact O-CG1 3.26Å; G204-I215 PolarHBondContact O-N 3.07Å
205Y94.2Very high91.1Very high71 Ų7167.7 Ų67.728%0.27837%0.367SS..EExtended strand (participates in β ladder)trans-120.4141.9179.8-66.4-101000112.4C201 P202 P203 V213 D214 P232 G233C201-Y205 WeakPolarHBondContact CB-O 3.46Å; P202-Y205 HydrophobicContact CB-CD2 3.92Å; P202-Y205 HydrophobicContact CB-CE2 4.46Å; P202-Y205 HydrophobicContact CG-CD2 4.31Å; P202-Y205 WeakPolarHBondContact O-CB 3.48Å; P202-Y205 PolarHBondContact O-N 3.18Å; P203-Y205 VanDerWaalsContact C-N 3.34Å; Y205-V213 CarbonylContact C-O 3.58Å; Y205-V213 WeakPolarHBondContact CA-O 3.24Å; Y205-D214 HydrophobicContact CD1-CB 4.46Å; Y205-D214 HydrophobicContact CE1-CB 4.24Å; Y205-P232 WeakPolarHBondContact OH-CB 3.38Å; Y205-G233 VanDerWaalsContact CE2-CA 3.45Å; Y205-G233 PolarHBondContact OH-N 3.2Å
206Q91.6Very high91.3Very high85 Ų8570 Ų7040%0.39738%0.375SS..EExtended strand (participates in β ladder)trans-113.6150.3174.461.3177.7-16.800111.7R208 V213 I215Q206-R208 PolarHBondContact O-N 3.27Å; Q206-V213 HydrophobicContact CG-CG2 3.79Å; Q206-V213 PolarHBondContact N-O 3.23Å; Q206-V213 PolarHBondContact O-N 3.39Å; Q206-I215 HydrophobicContact CB-CD1 4.2Å; Q206-I215 HydrophobicContact CB-CG1 3.78Å; Q206-I215 HydrophobicContact CG-CG1 3.82Å
207K90.3Very high91.3Very high141 Ų14168.6 Ų68.661%0.61336%0.361SS*.EExtended strand (participates in β ladder)trans-80.9109.3178.6-174173.5-179174.60110.8G209K207-G209 WeakPolarHBondContact CE-O 3.48Å; K207-G209 WeakPolarHBondContact CG-O 3.35Å
208R88.5Confident91.3Very high178 Ų17868 Ų6867%0.67236%0.363SS*.EExtended strand (participates in β ladder)trans-109.899.9171.6-177.8174.4-85178.1-4.9109Q206 E210 Q211 V213Q206-R208 PolarHBondContact O-N 3.27Å; R208-E210 PolarHBondContact O-N 3.11Å; R208-Q211 PolarHBondContact N-O 2.84Å; R208-Q211 PolarHBondContact O-N 2.93Å; R208-V213 HydrophobicContact CB-CB 4.43Å; R208-V213 HydrophobicContact CB-CG1 4.02Å; R208-V213 HydrophobicContact CB-CG2 3.51Å; R208-V213 HydrophobicContact CG-CG2 4.5Å
209G86.6Confident91.2Very high62 Ų6271 Ų7164%0.63938%0.379SS*.THydrogen-bonded Turntrans71-118.9-170.700000111K207K207-G209 WeakPolarHBondContact CE-O 3.48Å; K207-G209 WeakPolarHBondContact CG-O 3.35Å
210E84.6Confident90.9Very high126 Ų12673.1 Ų73.159%0.58939%0.387SS*.THydrogen-bonded Turntrans-100.4-5.2175.7-63-162.7162.700114.3R185 Q188 R208R185-E210 WeakPolarHBondContact CD-O 3.46Å; R185-E210 IonicContact CZ-OE2 3.78Å; R185-E210 PolarHBondContact NE-O 3.04Å; R185-E210 IonicContact NE-OE2 3.42Å; R185-E210 IonicContact NH2-OE2 3.2Å; R185-E210 PolarHBondContact NH2-OE2 3.02Å; Q188-E210 PolarHBondContact NE2-O 3.04Å; R208-E210 PolarHBondContact O-N 3.11Å
211Q89.2Confident90.6Very high121 Ų12172.3 Ų72.357%0.56539%0.39SS*.EExtended strand (participates in β ladder)trans-102.7146.2-177.7-70.1174.8-21.600111.3D187 R208D187-Q211 WeakPolarHBondContact OD2-CA 3.05Å; R208-Q211 PolarHBondContact N-O 2.84Å; R208-Q211 PolarHBondContact O-N 2.93Å
212C92.2Very high90.1Very high16 Ų1674.6 Ų74.611%0.10841%0.405CS..EExtended strand (participates in β ladder)trans-84.4110165.8-66.70000108.8D187 C201D187-C212 HydrophobicContact CB-CB 4.33Å; D187-C212 WeakPolarHBondContact O-CB 3.26Å; D187-C212 PolarHBondContact O-SG 2.95Å; D187-C212 VanDerWaalsContact O-SG 3.39Å; D187-C212 PolarHBondContact OD2-N 3.24Å; C201-C212 WeakPolarHBondContact CA-SG 3.35Å; C201-C212 HydrophobicContact CB-CB 3.7Å; C201-C212 WeakPolarHBondContact CB-SG 3.42Å; C201-C212 WeakPolarHBondContact SG-CA 3.25Å; C201-C212 WeakPolarHBondContact SG-CB 3.37Å; C201-C212 CovalentContact SG-SG 2.04Å; C201-C212 PolarHBondContact SG-SG 3.39Å
213V92.9Very high89.8Confident37 Ų3779.4 Ų79.422%0.22442%0.419CS..EExtended strand (participates in β ladder)trans-103.1146.4175.3-59.60000109.2Y205 Q206 R208Y205-V213 CarbonylContact C-O 3.58Å; Y205-V213 WeakPolarHBondContact CA-O 3.24Å; Q206-V213 HydrophobicContact CG-CG2 3.79Å; Q206-V213 PolarHBondContact N-O 3.23Å; Q206-V213 PolarHBondContact O-N 3.39Å; R208-V213 HydrophobicContact CB-CB 4.43Å; R208-V213 HydrophobicContact CB-CG1 4.02Å; R208-V213 HydrophobicContact CB-CG2 3.51Å; R208-V213 HydrophobicContact CG-CG2 4.5Å
214D94.2Very high89.8Confident47 Ų4774.5 Ų74.525%0.25139%0.388SS..EExtended strand (participates in β ladder)trans-53.1140175-156.341.5000110.9Y205 N230 P232 G233Y205-D214 HydrophobicContact CD1-CB 4.46Å; Y205-D214 HydrophobicContact CE1-CB 4.24Å; D214-N230 PolarHBondContact OD2-ND2 2.99Å; D214-P232 WeakPolarHBondContact OD1-CA 3.14Å; D214-G233 PolarHBondContact OD1-N 2.86Å
215I93Very high89.7Confident39 Ų3978.3 Ų78.320%0.240%0.401CS..PPolyproline II helixtrans-83.1120169.3-61.3171.9000106.4G204 Q206 E217 I220 N230G204-I215 WeakPolarHBondContact O-CB 3.49Å; G204-I215 WeakPolarHBondContact O-CG1 3.26Å; G204-I215 PolarHBondContact O-N 3.07Å; Q206-I215 HydrophobicContact CB-CD1 4.2Å; Q206-I215 HydrophobicContact CB-CG1 3.78Å; Q206-I215 HydrophobicContact CG-CG1 3.82Å; I215-E217 VanDerWaalsContact C-N 3.27Å; I215-E217 HydrophobicContact CB-CG 4.41Å; I215-E217 HydrophobicContact CG2-CG 3.99Å; I215-E217 PolarHBondContact O-N 2.94Å; I215-I220 HydrophobicContact CG2-CD1 3.68Å; I215-N230 PolarHBondContact O-OD1 2.86Å
216D92.3Very high89.4Confident71 Ų7177.9 Ų77.938%0.3840%0.402SS..  trans-76.884.7172.3-170.7-11.1000109.2C218 T219 N230D216-C218 PolarHBondContact O-N 3.4Å; D216-C218 VanDerWaalsContact OD1-CB 3.31Å; D216-C218 WeakPolarHBondContact OD1-CB 3.41Å; D216-C218 PolarHBondContact OD1-N 2.8Å; D216-T219 HydrophobicContact CB-CG2 4.23Å; D216-T219 PolarHBondContact O-N 2.83Å; D216-T219 PolarHBondContact O-OG1 3.33Å; D216-N230 WeakPolarHBondContact CA-OD1 3.35Å
217E92Very high89.5Confident31 Ų3181 Ų8115%0.14541%0.41CS..G310 helixtrans-63.9-18.7-177.5-71.3126.6175.200112I215 T219 I220 N230 S234 F235I215-E217 VanDerWaalsContact C-N 3.27Å; I215-E217 HydrophobicContact CB-CG 4.41Å; I215-E217 HydrophobicContact CG2-CG 3.99Å; I215-E217 PolarHBondContact O-N 2.94Å; E217-T219 PolarHBondContact O-N 2.84Å; E217-I220 PolarHBondContact O-N 3.41Å; E217-N230 PolarHBondContact N-OD1 2.86Å; E217-N230 VanDerWaalsContact N-OD1 3.09Å; E217-S234 VanDerWaalsContact OE2-CA 3.28Å; E217-S234 WeakPolarHBondContact OE2-CA 3.47Å; E217-F235 HydrophobicContact CB-CB 3.98Å; E217-F235 HydrophobicContact CB-CD1 3.25Å; E217-F235 HydrophobicContact CB-CD2 4.21Å; E217-F235 HydrophobicContact CB-CE1 3.62Å; E217-F235 HydrophobicContact CB-CE2 4.49Å; E217-F235 HydrophobicContact CB-CG 3.56Å; E217-F235 HydrophobicContact CB-CZ 4.2Å; E217-F235 HydrophobicContact CG-CD1 3.72Å; E217-F235 HydrophobicContact CG-CE1 3.99Å; E217-F235 HydrophobicContact CG-CG 4.46Å; E217-F235 VanDerWaalsContact OE2-CD1 3.26Å; E217-F235 WeakPolarHBondContact OE2-CD1 3.39Å; E217-F235 PolarHBondContact OE2-N 2.95Å
218C91.5Very high89.6Confident37 Ų3776 Ų7625%0.2539%0.392CS..G310 helixtrans-67.2-14.2171.2-59.90000113.9D216 C228 N230D216-C218 PolarHBondContact O-N 3.4Å; D216-C218 VanDerWaalsContact OD1-CB 3.31Å; D216-C218 WeakPolarHBondContact OD1-CB 3.41Å; D216-C218 PolarHBondContact OD1-N 2.8Å; C218-C228 WeakPolarHBondContact CA-SG 3.47Å; C218-C228 HydrophobicContact CB-CB 3.62Å; C218-C228 WeakPolarHBondContact CB-SG 3.45Å; C218-C228 VanDerWaalsContact SG-C 3.56Å; C218-C228 WeakPolarHBondContact SG-CB 3.43Å; C218-C228 CovalentContact SG-SG 2.03Å; C218-C228 PolarHBondContact SG-SG 2.8Å; C218-N230 PolarHBondContact SG-N 3.28Å; C218-N230 VanDerWaalsContact SG-N 3.37Å
219T90Very high89.9Confident89 Ų8969.1 Ų69.155%0.54637%0.37SS..G310 helixtrans-96.8-4.6176.166.20000113.9D216 E217D216-T219 HydrophobicContact CB-CG2 4.23Å; D216-T219 PolarHBondContact O-N 2.83Å; D216-T219 PolarHBondContact O-OG1 3.33Å; E217-T219 PolarHBondContact O-N 2.84Å
220I87.1Confident90.2Very high81 Ų8168.4 Ų68.442%0.41535%0.351SS..SBendtrans-125.1140.2-170.2-52.1-179.8000109.8I215 E217I215-I220 HydrophobicContact CG2-CD1 3.68Å; E217-I220 PolarHBondContact O-N 3.41Å
221P85.8Confident90.6Very high88 Ų8864.6 Ų64.657%0.57134%0.337SS*.SBendtrans-62.5146.2174.4-2131.8000112.6Y223P221-Y223 HydrophobicContact CB-CE2 4.32Å; P221-Y223 HydrophobicContact CG-CE2 3.79Å
222P82.7Confident90.8Very high73 Ų7364 Ų6447%0.47434%0.343SS..SBendcis-80.4130.6230.5-34.6000113.9Y250P222-Y250 HydrophobicContact CB-CD1 4.21Å; P222-Y250 HydrophobicContact CB-CE1 4.09Å; P222-Y250 HydrophobicContact CG-CD1 4.11Å; P222-Y250 HydrophobicContact CG-CE1 3.51Å; P222-Y250 HydrophobicContact CG-CE2 4Å; P222-Y250 VanDerWaalsContact CG-CZ 3.47Å; P222-Y250 WeakPolarHBondContact O-CE1 3.48Å
223Y86.5Confident90.7Very high138 Ų13864.3 Ų64.354%0.54135%0.349SS..PPolyproline II helixtrans-73.7145.6176.6-55.2-64.7000112P221P221-Y223 HydrophobicContact CB-CE2 4.32Å; P221-Y223 HydrophobicContact CG-CE2 3.79Å
224C89.4Confident90.7Very high18 Ų1865.6 Ų65.612%0.12236%0.36CS..PPolyproline II helixtrans-64.1143.4167.1-61.10000111Q226 C228 C237C224-Q226 VanDerWaalsContact C-N 3.3Å; C224-Q226 PolarHBondContact O-N 2.84Å; C224-C228 HydrophobicContact CB-CB 4.01Å; C224-C228 WeakPolarHBondContact SG-CB 3.32Å; C224-C228 VanDerWaalsContact SG-SG 3.69Å; C224-C237 WeakPolarHBondContact CA-SG 3.5Å; C224-C237 HydrophobicContact CB-CB 3.64Å; C224-C237 WeakPolarHBondContact CB-SG 3.29Å; C224-C237 WeakPolarHBondContact SG-CA 3.43Å; C224-C237 WeakPolarHBondContact SG-CB 3.46Å; C224-C237 CovalentContact SG-SG 2.03Å; C224-C237 PolarHBondContact SG-SG 2.78Å
225H88.6Confident90.6Very high95 Ų9565.5 Ų65.544%0.4436%0.357SS..SBendtrans-61.4-36.6178178.9-159000112.8Y250 C252H225-Y250 WeakPolarHBondContact CB-O 3.41Å; H225-Y250 PolarHBondContact N-O 2.71Å; H225-C252 HydrophobicContact CB-CB 4.45Å; H225-C252 PolarHBondContact CE1-O 3.12Å; H225-C252 PolarHBondContact ND1-O 2.85Å
226Q89.2Confident90.6Very high62 Ų6269.5 Ų69.529%0.2937%0.371SS..SBendtrans-121.7-85.3-176.1-64.1-177.34.600111.8C224 S240 C252C224-Q226 VanDerWaalsContact C-N 3.3Å; C224-Q226 PolarHBondContact O-N 2.84Å; Q226-S240 VanDerWaalsContact OE1-CB 3.27Å; Q226-S240 PolarHBondContact OE1-OG 2.89Å; Q226-S240 VanDerWaalsContact OE1-OG 3.1Å; Q226-C252 HydrophobicContact CG-CB 3.98Å
227R92.2Very high90.7Very high152 Ų15266.6 Ų66.657%0.57436%0.356SS*.EExtended strand (participates in β ladder)trans-111.6133.3-180-177.5176.8-178.4172.62.6110.7V229 C237 Q238R227-V229 HydrophobicContact CG-CG2 4.39Å; R227-C237 CarbonylContact O-C 3.55Å; R227-C237 WeakPolarHBondContact O-CA 3.38Å; R227-Q238 HydrophobicContact CB-CB 4.24Å; R227-Q238 WeakPolarHBondContact CB-O 3.24Å; R227-Q238 HydrophobicContact CG-CB 4.48Å; R227-Q238 PolarHBondContact N-O 2.96Å; R227-Q238 VanDerWaalsContact N-O 3.11Å; R227-Q238 PolarHBondContact O-N 2.97Å
228C93.9Very high90.8Very high36 Ų3669 Ų6924%0.24337%0.367CS..EExtended strand (participates in β ladder)trans-102143.8166.7-1730000110.1C218 C224C218-C228 WeakPolarHBondContact CA-SG 3.47Å; C218-C228 HydrophobicContact CB-CB 3.62Å; C218-C228 WeakPolarHBondContact CB-SG 3.45Å; C218-C228 VanDerWaalsContact SG-C 3.56Å; C218-C228 WeakPolarHBondContact SG-CB 3.43Å; C218-C228 CovalentContact SG-SG 2.03Å; C218-C228 PolarHBondContact SG-SG 2.8Å; C224-C228 HydrophobicContact CB-CB 4.01Å; C224-C228 WeakPolarHBondContact SG-CB 3.32Å; C224-C228 VanDerWaalsContact SG-SG 3.69Å
229V93.9Very high90.9Very high33 Ų3368.4 Ų68.420%0.236%0.363CS..EExtended strand (participates in β ladder)trans-129.2112.5170.4-1760000108.7R227 F235 Y236R227-V229 HydrophobicContact CG-CG2 4.39Å; V229-F235 WeakPolarHBondContact O-CA 3.08Å; V229-Y236 HydrophobicContact CB-CD1 4.26Å; V229-Y236 HydrophobicContact CB-CD2 4.37Å; V229-Y236 HydrophobicContact CB-CE1 3.79Å; V229-Y236 HydrophobicContact CB-CE2 3.91Å; V229-Y236 HydrophobicContact CG1-CE1 3.75Å; V229-Y236 HydrophobicContact CG1-CE2 4.49Å; V229-Y236 HydrophobicContact CG2-CE2 3.99Å; V229-Y236 PolarHBondContact N-O 2.93Å; V229-Y236 PolarHBondContact O-N 3.5Å
230N93.4Very high91Very high47 Ų4767 Ų6725%0.25136%0.357SS..EExtended strand (participates in β ladder)trans-77.1140.6175.6-163.668.7000110.6D214 I215 D216 E217 C218D214-N230 PolarHBondContact OD2-ND2 2.99Å; I215-N230 PolarHBondContact O-OD1 2.86Å; D216-N230 WeakPolarHBondContact CA-OD1 3.35Å; E217-N230 PolarHBondContact N-OD1 2.86Å; E217-N230 VanDerWaalsContact N-OD1 3.09Å; C218-N230 PolarHBondContact SG-N 3.28Å; C218-N230 VanDerWaalsContact SG-N 3.37Å
231T92.7Very high91.1Very high46 Ų4668.9 Ų68.928%0.28238%0.375SS..EExtended strand (participates in β ladder)trans-137.8156.418061.10000110.7G233 S234 Y236T231-G233 PolarHBondContact O-N 3.3Å; T231-S234 CarbonylContact C-O 3.53Å; T231-S234 VanDerWaalsContact C-O 3.3Å; T231-S234 VanDerWaalsContact CA-O 3.28Å; T231-S234 WeakPolarHBondContact CA-O 3.48Å; T231-S234 WeakPolarHBondContact CB-O 3.32Å; T231-S234 PolarHBondContact N-O 3.25Å; T231-S234 CarbonylContact O-C 3.52Å; T231-S234 PolarHBondContact O-N 2.8Å; T231-S234 VanDerWaalsContact OG1-C 3.28Å; T231-S234 PolarHBondContact OG1-O 3.08Å; T231-Y236 HydrophobicContact CG2-CD1 3.98Å; T231-Y236 HydrophobicContact CG2-CE1 3.71Å
232P92.5Very high91.2Very high107 Ų10765.5 Ų65.570%0.69536%0.355SS*.THydrogen-bonded Turntrans-58.4108.7-179.4-26.236.2000112.9Y205 D214Y205-P232 WeakPolarHBondContact OH-CB 3.38Å; D214-P232 WeakPolarHBondContact OD1-CA 3.14Å
233G90.3Very high91.7Very high23 Ų2363.9 Ų63.924%0.23734%0.341CS..THydrogen-bonded Turntrans84.57.4-179.300000116.3Y205 D214 T231Y205-G233 VanDerWaalsContact CE2-CA 3.45Å; Y205-G233 PolarHBondContact OH-N 3.2Å; D214-G233 PolarHBondContact OD1-N 2.86Å; T231-G233 PolarHBondContact O-N 3.3Å
234S92.8Very high92Very high64 Ų6462.4 Ų62.445%0.44834%0.339SS..EExtended strand (participates in β ladder)trans-170.9178.5178.1-151.40000113.1E217 T231E217-S234 VanDerWaalsContact OE2-CA 3.28Å; E217-S234 WeakPolarHBondContact OE2-CA 3.47Å; T231-S234 CarbonylContact C-O 3.53Å; T231-S234 VanDerWaalsContact C-O 3.3Å; T231-S234 VanDerWaalsContact CA-O 3.28Å; T231-S234 WeakPolarHBondContact CA-O 3.48Å; T231-S234 WeakPolarHBondContact CB-O 3.32Å; T231-S234 PolarHBondContact N-O 3.25Å; T231-S234 CarbonylContact O-C 3.52Å; T231-S234 PolarHBondContact O-N 2.8Å; T231-S234 VanDerWaalsContact OG1-C 3.28Å; T231-S234 PolarHBondContact OG1-O 3.08Å
235F93.3Very high92.1Very high46 Ų4664.8 Ų64.820%0.20235%0.35CS..EExtended strand (participates in β ladder)trans-142.1164.2172.871.8-68.6000111.1E217 V229 Y250E217-F235 HydrophobicContact CB-CB 3.98Å; E217-F235 HydrophobicContact CB-CD1 3.25Å; E217-F235 HydrophobicContact CB-CD2 4.21Å; E217-F235 HydrophobicContact CB-CE1 3.62Å; E217-F235 HydrophobicContact CB-CE2 4.49Å; E217-F235 HydrophobicContact CB-CG 3.56Å; E217-F235 HydrophobicContact CB-CZ 4.2Å; E217-F235 HydrophobicContact CG-CD1 3.72Å; E217-F235 HydrophobicContact CG-CE1 3.99Å; E217-F235 HydrophobicContact CG-CG 4.46Å; E217-F235 VanDerWaalsContact OE2-CD1 3.26Å; E217-F235 WeakPolarHBondContact OE2-CD1 3.39Å; E217-F235 PolarHBondContact OE2-N 2.95Å; V229-F235 WeakPolarHBondContact O-CA 3.08Å; F235-Y250 HydrophobicContact CE2-CD1 4.49Å; F235-Y250 AromaticContact CE2-CE1 3.63Å; F235-Y250 HydrophobicContact CE2-CE1 3.63Å; F235-Y250 AromaticContact CZ-CE1 3.55Å; F235-Y250 HydrophobicContact CZ-CE1 3.55Å; F235-Y250 AromaticContact CZ-CZ 3.91Å; F235-Y250 WeakPolarHBondContact CZ-OH 3.14Å
236Y93.2Very high92.3Very high122 Ų12261.4 Ų61.448%0.47834%0.339SS..EExtended strand (participates in β ladder)trans-139.7146.6170.366.2-88.2000111.8V229 T231V229-Y236 HydrophobicContact CB-CD1 4.26Å; V229-Y236 HydrophobicContact CB-CD2 4.37Å; V229-Y236 HydrophobicContact CB-CE1 3.79Å; V229-Y236 HydrophobicContact CB-CE2 3.91Å; V229-Y236 HydrophobicContact CG1-CE1 3.75Å; V229-Y236 HydrophobicContact CG1-CE2 4.49Å; V229-Y236 HydrophobicContact CG2-CE2 3.99Å; V229-Y236 PolarHBondContact N-O 2.93Å; V229-Y236 PolarHBondContact O-N 3.5Å; T231-Y236 HydrophobicContact CG2-CD1 3.98Å; T231-Y236 HydrophobicContact CG2-CE1 3.71Å
237C94.1Very high92.5Very high10 Ų1063.8 Ų63.87%0.06837%0.369CS..EExtended strand (participates in β ladder)trans-86.6137.2172-57.70000110.3C224 R227 L245 N249C224-C237 WeakPolarHBondContact CA-SG 3.5Å; C224-C237 HydrophobicContact CB-CB 3.64Å; C224-C237 WeakPolarHBondContact CB-SG 3.29Å; C224-C237 WeakPolarHBondContact SG-CA 3.43Å; C224-C237 WeakPolarHBondContact SG-CB 3.46Å; C224-C237 CovalentContact SG-SG 2.03Å; C224-C237 PolarHBondContact SG-SG 2.78Å; R227-C237 CarbonylContact O-C 3.55Å; R227-C237 WeakPolarHBondContact O-CA 3.38Å; C237-L245 HydrophobicContact CB-CD1 3.88Å; C237-N249 VanDerWaalsContact CB-O 3.29Å; C237-N249 WeakPolarHBondContact CB-O 3.44Å; C237-N249 PolarHBondContact SG-O 3.16Å
238Q93.2Very high92.4Very high82 Ų8260.2 Ų60.238%0.38336%0.361SS..EExtended strand (participates in β ladder)trans-117.3134.9174.8-177.3176.319.200109.3R227R227-Q238 HydrophobicContact CB-CB 4.24Å; R227-Q238 WeakPolarHBondContact CB-O 3.24Å; R227-Q238 HydrophobicContact CG-CB 4.48Å; R227-Q238 PolarHBondContact N-O 2.96Å; R227-Q238 VanDerWaalsContact N-O 3.11Å; R227-Q238 PolarHBondContact O-N 2.97Å
239C93.4Very high92.2Very high25 Ų2563.5 Ų63.517%0.16938%0.376CS..PPolyproline II helixtrans-95.3148.7173.7-560000111.1F243 C252C239-F243 HydrophobicContact CB-CB 3.86Å; C239-F243 WeakPolarHBondContact CB-O 3.26Å; C239-C252 WeakPolarHBondContact CA-SG 3.24Å; C239-C252 HydrophobicContact CB-CB 3.77Å; C239-C252 WeakPolarHBondContact CB-SG 3.24Å; C239-C252 WeakPolarHBondContact SG-CA 3.33Å; C239-C252 WeakPolarHBondContact SG-CB 3.44Å; C239-C252 CovalentContact SG-SG 2.04Å; C239-C252 PolarHBondContact SG-SG 3.36Å
240S92.5Very high92Very high60 Ų6065.2 Ų65.242%0.4238%0.38SS..PPolyproline II helixtrans-65.7160169.6-60.90000110.7Q226 F243Q226-S240 VanDerWaalsContact OE1-CB 3.27Å; Q226-S240 PolarHBondContact OE1-OG 2.89Å; Q226-S240 VanDerWaalsContact OE1-OG 3.1Å; S240-F243 PolarHBondContact O-N 2.93Å; S240-F243 VanDerWaalsContact O-N 3.12Å
241P89.1Confident91.9Very high120 Ų12065.7 Ų65.778%0.77938%0.384SS*.THydrogen-bonded Turntrans-51.1142.8169.8-24.735.1000111.6F243P241-F243 VanDerWaalsContact C-N 3.31Å; P241-F243 WeakPolarHBondContact O-CD2 3.41Å
242G88.6Confident91.9Very high16 Ų1663.8 Ų63.817%0.16537%0.373CS..THydrogen-bonded Turntrans84.9-6.9-17300000114.9I255G242-I255 WeakPolarHBondContact O-CB 3.19Å; G242-I255 WeakPolarHBondContact O-CG1 3.43Å; G242-I255 PolarHBondContact O-N 2.84Å
243F92.8Very high91.9Very high40 Ų4061.5 Ų61.518%0.17536%0.357CS..EExtended strand (participates in β ladder)trans-123.5144.1179.7-61-93.5000112.4C239 S240 P241 C252 V253 D254 L272 G273C239-F243 HydrophobicContact CB-CB 3.86Å; C239-F243 WeakPolarHBondContact CB-O 3.26Å; S240-F243 PolarHBondContact O-N 2.93Å; S240-F243 VanDerWaalsContact O-N 3.12Å; P241-F243 VanDerWaalsContact C-N 3.31Å; P241-F243 WeakPolarHBondContact O-CD2 3.41Å; F243-C252 HydrophobicContact CB-CB 4.11Å; F243-V253 CarbonylContact C-O 3.6Å; F243-V253 WeakPolarHBondContact CA-O 3.35Å; F243-D254 HydrophobicContact CD1-CB 4.34Å; F243-D254 HydrophobicContact CE1-CB 4.25Å; F243-L272 HydrophobicContact CZ-CB 4.49Å; F243-G273 VanDerWaalsContact CE2-CA 3.44Å
244Q92Very high91.9Very high107 Ų10762.2 Ų62.250%0.536%0.355SS..EExtended strand (participates in β ladder)trans-113.5147.6174.562.2-179.40.200111.3A246 C252 V253 I255Q244-A246 PolarHBondContact O-N 2.71Å; Q244-C252 WeakPolarHBondContact O-CA 3.46Å; Q244-V253 HydrophobicContact CG-CG2 3.64Å; Q244-V253 PolarHBondContact N-O 3.41Å; Q244-V253 PolarHBondContact O-N 2.8Å; Q244-I255 HydrophobicContact CB-CD1 4.09Å; Q244-I255 HydrophobicContact CB-CG1 3.81Å; Q244-I255 HydrophobicContact CG-CG1 3.86Å
245L93.3Very high91.8Very high68 Ų6861.9 Ų61.936%0.35635%0.348SS..EExtended strand (participates in β ladder)trans-77.6124.5178.4-166.467.8000110C237 N249C237-L245 HydrophobicContact CB-CD1 3.88Å; L245-N249 HydrophobicContact CD2-CB 4.28Å
246A92.5Very high91.7Very high24 Ų2462.3 Ų62.320%0.19835%0.352CS..  trans-70.8165.6177.900000112.2Q244 N248 N249 T251 V253Q244-A246 PolarHBondContact O-N 2.71Å; A246-N248 PolarHBondContact O-N 2.81Å; A246-N249 PolarHBondContact O-N 2.93Å; A246-T251 VanDerWaalsContact CB-O 3.24Å; A246-T251 WeakPolarHBondContact CB-O 3.29Å; A246-T251 WeakPolarHBondContact CB-OG1 3.22Å; A246-T251 PolarHBondContact N-O 3.2Å; A246-V253 HydrophobicContact CB-CG1 4.17Å
247A92.3Very high91.4Very high111 Ų11157.7 Ų57.792%0.91734%0.335SS*.THydrogen-bonded Turntrans-61.2-6.7-17800000115.8
248N90.7Very high91.2Very high77 Ų7758.6 Ų58.641%0.41234%0.341SS..THydrogen-bonded Turntrans-85.5-8.5171.264.411.3000113.4A246 Y250 T251A246-N248 PolarHBondContact O-N 2.81Å; N248-Y250 WeakPolarHBondContact O-CD2 3.43Å; N248-Y250 WeakPolarHBondContact O-CE2 3.32Å; N248-Y250 PolarHBondContact O-N 3.09Å; N248-Y250 PolarHBondContact OD1-N 3.45Å; N248-T251 WeakPolarHBondContact ND2-CG2 3.32Å; N248-T251 PolarHBondContact ND2-OG1 2.79Å; N248-T251 PolarHBondContact OD1-N 3.23Å; N248-T251 PolarHBondContact OD1-OG1 3.36Å; N248-T251 VanDerWaalsContact OD1-OG1 3.09Å
249N89.9Confident90.9Very high106 Ų10661 Ų6157%0.56736%0.356SS*.SBendtrans63.411.3-173.5-59-21.4000116.4C237 L245 A246C237-N249 VanDerWaalsContact CB-O 3.29Å; C237-N249 WeakPolarHBondContact CB-O 3.44Å; C237-N249 PolarHBondContact SG-O 3.16Å; L245-N249 HydrophobicContact CD2-CB 4.28Å; A246-N249 PolarHBondContact O-N 2.93Å
250Y89.8Confident89.7Confident69 Ų6963.7 Ų63.727%0.27138%0.381SS..SBendtrans-118.8-41.7-179.7-67.1-76.5000114.1P222 H225 F235 N248P222-Y250 HydrophobicContact CB-CD1 4.21Å; P222-Y250 HydrophobicContact CB-CE1 4.09Å; P222-Y250 HydrophobicContact CG-CD1 4.11Å; P222-Y250 HydrophobicContact CG-CE1 3.51Å; P222-Y250 HydrophobicContact CG-CE2 4Å; P222-Y250 VanDerWaalsContact CG-CZ 3.47Å; P222-Y250 WeakPolarHBondContact O-CE1 3.48Å; H225-Y250 WeakPolarHBondContact CB-O 3.41Å; H225-Y250 PolarHBondContact N-O 2.71Å; F235-Y250 HydrophobicContact CE2-CD1 4.49Å; F235-Y250 AromaticContact CE2-CE1 3.63Å; F235-Y250 HydrophobicContact CE2-CE1 3.63Å; F235-Y250 AromaticContact CZ-CE1 3.55Å; F235-Y250 HydrophobicContact CZ-CE1 3.55Å; F235-Y250 AromaticContact CZ-CZ 3.91Å; F235-Y250 WeakPolarHBondContact CZ-OH 3.14Å; N248-Y250 WeakPolarHBondContact O-CD2 3.43Å; N248-Y250 WeakPolarHBondContact O-CE2 3.32Å; N248-Y250 PolarHBondContact O-N 3.09Å; N248-Y250 PolarHBondContact OD1-N 3.45Å
251T91Very high88.5Confident56 Ų5664.9 Ų64.934%0.34439%0.389SS..  trans-93.7118.7-173.555.10000110.8A246 N248A246-T251 VanDerWaalsContact CB-O 3.24Å; A246-T251 WeakPolarHBondContact CB-O 3.29Å; A246-T251 WeakPolarHBondContact CB-OG1 3.22Å; A246-T251 PolarHBondContact N-O 3.2Å; N248-T251 WeakPolarHBondContact ND2-CG2 3.32Å; N248-T251 PolarHBondContact ND2-OG1 2.79Å; N248-T251 PolarHBondContact OD1-N 3.23Å; N248-T251 PolarHBondContact OD1-OG1 3.36Å; N248-T251 VanDerWaalsContact OD1-OG1 3.09Å
252C92.2Very high87.4Confident6 Ų663.5 Ų63.54%0.04138%0.375CS..EExtended strand (participates in β ladder)trans-74.5121.1164.6-63.20000108.9H225 Q226 C239 F243 Q244H225-C252 HydrophobicContact CB-CB 4.45Å; H225-C252 PolarHBondContact CE1-O 3.12Å; H225-C252 PolarHBondContact ND1-O 2.85Å; Q226-C252 HydrophobicContact CG-CB 3.98Å; C239-C252 WeakPolarHBondContact CA-SG 3.24Å; C239-C252 HydrophobicContact CB-CB 3.77Å; C239-C252 WeakPolarHBondContact CB-SG 3.24Å; C239-C252 WeakPolarHBondContact SG-CA 3.33Å; C239-C252 WeakPolarHBondContact SG-CB 3.44Å; C239-C252 CovalentContact SG-SG 2.04Å; C239-C252 PolarHBondContact SG-SG 3.36Å; F243-C252 HydrophobicContact CB-CB 4.11Å; Q244-C252 WeakPolarHBondContact O-CA 3.46Å
253V92Very high87.2Confident60 Ų6067 Ų6736%0.36439%0.387SS..EExtended strand (participates in β ladder)trans-106.7147.2172.8-62.70000109.1F243 Q244 A246F243-V253 CarbonylContact C-O 3.6Å; F243-V253 WeakPolarHBondContact CA-O 3.35Å; Q244-V253 HydrophobicContact CG-CG2 3.64Å; Q244-V253 PolarHBondContact N-O 3.41Å; Q244-V253 PolarHBondContact O-N 2.8Å; A246-V253 HydrophobicContact CB-CG1 4.17Å
254D92.3Very high87Confident37 Ų3765.2 Ų65.220%0.19838%0.38CS..EExtended strand (participates in β ladder)trans-59.6140.6178.1-169.656.8000111.7F243 N270 L272 G273F243-D254 HydrophobicContact CD1-CB 4.34Å; F243-D254 HydrophobicContact CE1-CB 4.25Å; D254-N270 PolarHBondContact OD2-ND2 3.23Å; D254-L272 HydrophobicContact CB-CD2 3.99Å; D254-L272 WeakPolarHBondContact OD1-CA 3.47Å; D254-G273 PolarHBondContact OD1-N 3.01Å
255I90.1Very high86.9Confident57 Ų5762.9 Ų62.929%0.29238%0.379SS..  trans-89.9109.9172.9-62.1171.5000107G242 Q244 E257G242-I255 WeakPolarHBondContact O-CB 3.19Å; G242-I255 WeakPolarHBondContact O-CG1 3.43Å; G242-I255 PolarHBondContact O-N 2.84Å; Q244-I255 HydrophobicContact CB-CD1 4.09Å; Q244-I255 HydrophobicContact CB-CG1 3.81Å; Q244-I255 HydrophobicContact CG-CG1 3.86Å; I255-E257 HydrophobicContact CG2-CG 4.32Å; I255-E257 VanDerWaalsContact O-CD 3.3Å; I255-E257 PolarHBondContact O-N 2.95Å
256N89.9Confident86.8Confident56 Ų5661.8 Ų61.830%0.29937%0.372SS..  trans-70.693.2174.2-174.4-0.7000110.6C258 D259 N270N256-C258 PolarHBondContact O-N 3.42Å; N256-C258 WeakPolarHBondContact OD1-CB 3.45Å; N256-C258 PolarHBondContact OD1-N 2.97Å; N256-D259 HydrophobicContact CB-CB 4.34Å; N256-D259 PolarHBondContact ND2-OD1 2.95Å; N256-D259 VanDerWaalsContact ND2-OD1 3.12Å; N256-D259 PolarHBondContact ND2-OD2 2.73Å; N256-D259 PolarHBondContact O-N 3.12Å; N256-D259 VanDerWaalsContact O-N 3.11Å; N256-N270 VanDerWaalsContact CA-OD1 3.3Å; N256-N270 WeakPolarHBondContact CA-OD1 3.47Å; N256-N270 WeakPolarHBondContact OD1-CB 3.4Å; N256-N270 VanDerWaalsContact OD1-CG 3.28Å; N256-N270 PolarHBondContact OD1-OD1 3.13Å
257E88.2Confident86.8Confident25 Ų2563.5 Ų63.512%0.11738%0.376CS..Hα-helixtrans-67.3-19.1-176.7-67.1108.8169.400113I255 D259 N270 S274 F275I255-E257 HydrophobicContact CG2-CG 4.32Å; I255-E257 VanDerWaalsContact O-CD 3.3Å; I255-E257 PolarHBondContact O-N 2.95Å; E257-D259 VanDerWaalsContact C-N 3.33Å; E257-N270 PolarHBondContact N-OD1 2.78Å; E257-S274 WeakPolarHBondContact OE2-CA 3.49Å; E257-F275 HydrophobicContact CB-CB 4.15Å; E257-F275 HydrophobicContact CB-CD1 3.44Å; E257-F275 VanDerWaalsContact CB-CD1 3.44Å; E257-F275 HydrophobicContact CB-CE1 4.06Å; E257-F275 HydrophobicContact CB-CG 3.92Å; E257-F275 HydrophobicContact CG-CD1 3.76Å; E257-F275 HydrophobicContact CG-CE1 4.26Å; E257-F275 WeakPolarHBondContact OE2-CD1 3.38Å; E257-F275 PolarHBondContact OE2-N 2.72Å; E257-F275 VanDerWaalsContact OE2-N 3.14Å
258C89.7Confident86.8Confident28 Ų2859.4 Ų59.419%0.18934%0.34CS..Hα-helixtrans-72.5-23.8174.4-54.50000113.1N256 C268 N270N256-C258 PolarHBondContact O-N 3.42Å; N256-C258 WeakPolarHBondContact OD1-CB 3.45Å; N256-C258 PolarHBondContact OD1-N 2.97Å; C258-C268 WeakPolarHBondContact CA-SG 3.21Å; C258-C268 HydrophobicContact CB-CB 3.8Å; C258-C268 WeakPolarHBondContact CB-SG 3.03Å; C258-C268 WeakPolarHBondContact SG-CB 3.17Å; C258-C268 CovalentContact SG-SG 2.04Å; C258-C268 PolarHBondContact SG-SG 2.73Å; C258-N270 PolarHBondContact SG-N 2.9Å
259D87Confident86.8Confident132 Ų13260.8 Ų60.871%0.70634%0.34SS*.Hα-helixtrans-84.2-32.4-179.3-74.2-14.7000113.1N256 E257N256-D259 HydrophobicContact CB-CB 4.34Å; N256-D259 PolarHBondContact ND2-OD1 2.95Å; N256-D259 VanDerWaalsContact ND2-OD1 3.12Å; N256-D259 PolarHBondContact ND2-OD2 2.73Å; N256-D259 PolarHBondContact O-N 3.12Å; N256-D259 VanDerWaalsContact O-N 3.11Å; E257-D259 VanDerWaalsContact C-N 3.33Å
260A69Low86.8Confident83 Ų8358.4 Ų58.469%0.68633%0.327SS*.Hα-helixtrans-74.9-42.5-168.400000113.4
261S66Low86.8Confident85 Ų8556.2 Ų56.259%0.59432%0.32SS*.SBendtrans-171.8124163.851.90000106Q263S261-Q263 VanDerWaalsContact O-CG 3.3Å; S261-Q263 WeakPolarHBondContact O-CG 3.47Å; S261-Q263 PolarHBondContact O-N 2.96Å
262N66.7Low86.7Confident90 Ų9057 Ų5748%0.48132%0.322SS..  trans-58.597.4-171-166.428.5000110.7C264 Q266 C268N262-C264 PolarHBondContact ND2-O 2.82Å; N262-C264 PolarHBondContact O-N 2.78Å; N262-Q266 PolarHBondContact ND2-O 3.11Å; N262-C268 WeakPolarHBondContact OD1-CB 3.23Å
263Q83Confident86.4Confident89 Ų8957.7 Ų57.742%0.41633%0.33SS..  trans-71.2-23.2-172.4-58.8-17038.900111.7S261 F275 L290S261-Q263 VanDerWaalsContact O-CG 3.3Å; S261-Q263 WeakPolarHBondContact O-CG 3.47Å; S261-Q263 PolarHBondContact O-N 2.96Å; Q263-F275 HydrophobicContact CB-CE2 3.73Å; Q263-F275 HydrophobicContact CB-CZ 3.68Å; Q263-F275 HydrophobicContact CG-CZ 4.13Å; Q263-F275 VanDerWaalsContact OE1-CZ 3.23Å; Q263-L290 HydrophobicContact CB-CD2 4.37Å
264C89.4Confident86.3Confident4 Ų456.5 Ų56.53%0.02732%0.324CS..SBendtrans-77.9137.2173.2-54.80000111N262 Q266 Q267 C268 C277N262-C264 PolarHBondContact ND2-O 2.82Å; N262-C264 PolarHBondContact O-N 2.78Å; C264-Q266 PolarHBondContact O-N 2.89Å; C264-Q266 VanDerWaalsContact O-N 3.16Å; C264-Q267 WeakPolarHBondContact CB-O 3.47Å; C264-C268 HydrophobicContact CB-CB 4.04Å; C264-C268 VanDerWaalsContact SG-CB 3.54Å; C264-C277 WeakPolarHBondContact CA-SG 3.49Å; C264-C277 HydrophobicContact CB-CB 3.63Å; C264-C277 WeakPolarHBondContact CB-SG 3Å; C264-C277 WeakPolarHBondContact SG-CA 3.33Å; C264-C277 WeakPolarHBondContact SG-CB 3.18Å; C264-C277 CovalentContact SG-SG 2.03Å; C264-C277 PolarHBondContact SG-SG 2.04Å
265A90.9Very high86.2Confident58 Ų5856.3 Ų56.348%0.47932%0.322SS..SBendtrans-62.4-21.7173.400000113.5L290A265-L290 PolarHBondContact N-O 3.35Å
266Q90.6Very high86.2Confident44 Ų4455.3 Ų55.321%0.20632%0.317CS..SBendtrans-133.4-104.2-177.8-59.5-173.46.500111.5N262 C264 N280 C292N262-Q266 PolarHBondContact ND2-O 3.11Å; C264-Q266 PolarHBondContact O-N 2.89Å; C264-Q266 VanDerWaalsContact O-N 3.16Å; Q266-N280 VanDerWaalsContact OE1-CB 3.27Å; Q266-N280 VanDerWaalsContact OE1-CG 3.28Å; Q266-N280 PolarHBondContact OE1-ND2 3.32Å; Q266-C292 HydrophobicContact CG-CB 3.93Å
267Q91.9Very high86.3Confident61 Ų6153.4 Ų53.429%0.28531%0.308SS..EExtended strand (participates in β ladder)trans-92135.6-176.7-52.7177.8-5.200110.4C264 Y269 C277 Q278 N280C264-Q267 WeakPolarHBondContact CB-O 3.47Å; Q267-Y269 HydrophobicContact CB-CE2 4.09Å; Q267-Y269 PolarHBondContact OE1-OH 3.28Å; Q267-C277 WeakPolarHBondContact O-CA 3.4Å; Q267-Q278 HydrophobicContact CB-CB 4.24Å; Q267-Q278 VanDerWaalsContact CB-O 3.32Å; Q267-Q278 WeakPolarHBondContact CB-O 3.32Å; Q267-Q278 PolarHBondContact N-O 2.84Å; Q267-Q278 PolarHBondContact O-N 2.85Å; Q267-N280 PolarHBondContact NE2-OD1 2.03Å
268C92.9Very high86.5Confident24 Ų2455.4 Ų55.416%0.16232%0.317CS..EExtended strand (participates in β ladder)trans-116.6133.9174-175.90000109.5C258 N262 C264C258-C268 WeakPolarHBondContact CA-SG 3.21Å; C258-C268 HydrophobicContact CB-CB 3.8Å; C258-C268 WeakPolarHBondContact CB-SG 3.03Å; C258-C268 WeakPolarHBondContact SG-CB 3.17Å; C258-C268 CovalentContact SG-SG 2.04Å; C258-C268 PolarHBondContact SG-SG 2.73Å; N262-C268 WeakPolarHBondContact OD1-CB 3.23Å; C264-C268 HydrophobicContact CB-CB 4.04Å; C264-C268 VanDerWaalsContact SG-CB 3.54Å
269Y91.5Very high86.7Confident107 Ų10755 Ų5542%0.4231%0.314SS..EExtended strand (participates in β ladder)trans-124.1118.5172.5-64.3-80000109.2Q267 F275 I276 Q278Q267-Y269 HydrophobicContact CB-CE2 4.09Å; Q267-Y269 PolarHBondContact OE1-OH 3.28Å; Y269-F275 CarbonylContact O-C 3.21Å; Y269-F275 WeakPolarHBondContact O-CA 3.04Å; Y269-I276 PolarHBondContact N-O 2.81Å; Y269-I276 PolarHBondContact O-N 2.85Å; Y269-Q278 HydrophobicContact CD2-CB 4.18Å; Y269-Q278 HydrophobicContact CE2-CB 3.83Å
270N89.7Confident87.1Confident55 Ų5552.2 Ų52.229%0.29430%0.299SS..EExtended strand (participates in β ladder)trans-74136.2176.5-16366.2000110.7D254 N256 E257 C258D254-N270 PolarHBondContact OD2-ND2 3.23Å; N256-N270 VanDerWaalsContact CA-OD1 3.3Å; N256-N270 WeakPolarHBondContact CA-OD1 3.47Å; N256-N270 WeakPolarHBondContact OD1-CB 3.4Å; N256-N270 VanDerWaalsContact OD1-CG 3.28Å; N256-N270 PolarHBondContact OD1-OD1 3.13Å; E257-N270 PolarHBondContact N-OD1 2.78Å; C258-N270 PolarHBondContact SG-N 2.9Å
271I89.9Confident88.2Confident23 Ų2357.3 Ų57.312%0.11831%0.309CS..EExtended strand (participates in β ladder)trans-128.8168.7172.762.2169.7000108.6L69 L71 G273 S274 I276L69-I271 HydrophobicContact CD1-CB 4.32Å; L69-I271 HydrophobicContact CD2-CB 3.94Å; L69-I271 HydrophobicContact CD2-CG2 3.98Å; L71-I271 HydrophobicContact CD2-CG2 4.24Å; I271-G273 PolarHBondContact O-N 2.66Å; I271-G273 VanDerWaalsContact O-N 3.16Å; I271-S274 CarbonylContact C-O 3.59Å; I271-S274 VanDerWaalsContact C-O 3.27Å; I271-S274 WeakPolarHBondContact CA-O 3.02Å; I271-S274 WeakPolarHBondContact CG1-O 3.47Å; I271-S274 PolarHBondContact N-O 2.94Å; I271-S274 PolarHBondContact O-N 3.34Å; I271-I276 HydrophobicContact CD1-CG2 4.01Å
272L88.3Confident89.5Confident73 Ų7353.7 Ų53.738%0.38229%0.285SS..THydrogen-bonded Turntrans-68.8119.1-179.3-70.5172.4000110.6H64 F243 D254H64-L272 WeakPolarHBondContact CE1-CB 3.42Å; H64-L272 PolarHBondContact NE2-O 2.72Å; F243-L272 HydrophobicContact CZ-CB 4.49Å; D254-L272 HydrophobicContact CB-CD2 3.99Å; D254-L272 WeakPolarHBondContact OD1-CA 3.47Å
273G85.9Confident90.9Very high21 Ų2152.3 Ų52.322%0.21627%0.273CS..THydrogen-bonded Turntrans78.98.5178.900000116F243 D254 I271F243-G273 VanDerWaalsContact CE2-CA 3.44Å; D254-G273 PolarHBondContact OD1-N 3.01Å; I271-G273 PolarHBondContact O-N 2.66Å; I271-G273 VanDerWaalsContact O-N 3.16Å
274S89.6Confident91.3Very high34 Ų3453.5 Ų53.524%0.23828%0.279CS..EExtended strand (participates in β ladder)trans-171.7174.8179.5-173.10000110.9E257 I271E257-S274 WeakPolarHBondContact OE2-CA 3.49Å; I271-S274 CarbonylContact C-O 3.59Å; I271-S274 VanDerWaalsContact C-O 3.27Å; I271-S274 WeakPolarHBondContact CA-O 3.02Å; I271-S274 WeakPolarHBondContact CG1-O 3.47Å; I271-S274 PolarHBondContact N-O 2.94Å; I271-S274 PolarHBondContact O-N 3.34Å
275F89.6Confident91.5Very high34 Ų3456.7 Ų56.715%0.14930%0.295CS..EExtended strand (participates in β ladder)trans-119.8166165.564.7-73.6000111.1E257 Q263 Y269 L290E257-F275 HydrophobicContact CB-CB 4.15Å; E257-F275 HydrophobicContact CB-CD1 3.44Å; E257-F275 VanDerWaalsContact CB-CD1 3.44Å; E257-F275 HydrophobicContact CB-CE1 4.06Å; E257-F275 HydrophobicContact CB-CG 3.92Å; E257-F275 HydrophobicContact CG-CD1 3.76Å; E257-F275 HydrophobicContact CG-CE1 4.26Å; E257-F275 WeakPolarHBondContact OE2-CD1 3.38Å; E257-F275 PolarHBondContact OE2-N 2.72Å; E257-F275 VanDerWaalsContact OE2-N 3.14Å; Q263-F275 HydrophobicContact CB-CE2 3.73Å; Q263-F275 HydrophobicContact CB-CZ 3.68Å; Q263-F275 HydrophobicContact CG-CZ 4.13Å; Q263-F275 VanDerWaalsContact OE1-CZ 3.23Å; Y269-F275 CarbonylContact O-C 3.21Å; Y269-F275 WeakPolarHBondContact O-CA 3.04Å; F275-L290 HydrophobicContact CE2-CD2 3.58Å; F275-L290 HydrophobicContact CZ-CD2 3.62Å
276I91Very high91.6Very high36 Ų3654.7 Ų54.719%0.18528%0.278CS..EExtended strand (participates in β ladder)trans-126.7139.7167.263.2177.9000110.7L71 A75 Y269 I271L71-I276 HydrophobicContact CD2-CD1 4.12Å; A75-I276 HydrophobicContact CB-CD1 4.18Å; Y269-I276 PolarHBondContact N-O 2.81Å; Y269-I276 PolarHBondContact O-N 2.85Å; I271-I276 HydrophobicContact CD1-CG2 4.01Å
277C92.3Very high91.5Very high16 Ų1658.5 Ų58.511%0.10831%0.309CS..EExtended strand (participates in β ladder)trans-94.3142.4173.3-58.10000111.4C264 Q267 L285 R289C264-C277 WeakPolarHBondContact CA-SG 3.49Å; C264-C277 HydrophobicContact CB-CB 3.63Å; C264-C277 WeakPolarHBondContact CB-SG 3Å; C264-C277 WeakPolarHBondContact SG-CA 3.33Å; C264-C277 WeakPolarHBondContact SG-CB 3.18Å; C264-C277 CovalentContact SG-SG 2.03Å; C264-C277 PolarHBondContact SG-SG 2.04Å; Q267-C277 WeakPolarHBondContact O-CA 3.4Å; C277-L285 HydrophobicContact CB-CD1 3.85Å; C277-R289 WeakPolarHBondContact CB-O 3.05Å; C277-R289 PolarHBondContact SG-O 3.43Å; C277-R289 VanDerWaalsContact SG-O 3.39Å
278Q92Very high91.5Very high66 Ų6659 Ų5931%0.30831%0.314SS..EExtended strand (participates in β ladder)trans-129.9139.1173.3-179.5172.5-24.500110.5Q267 Y269Q267-Q278 HydrophobicContact CB-CB 4.24Å; Q267-Q278 VanDerWaalsContact CB-O 3.32Å; Q267-Q278 WeakPolarHBondContact CB-O 3.32Å; Q267-Q278 PolarHBondContact N-O 2.84Å; Q267-Q278 PolarHBondContact O-N 2.85Å; Y269-Q278 HydrophobicContact CD2-CB 4.18Å; Y269-Q278 HydrophobicContact CE2-CB 3.83Å
279C94.1Very high91.2Very high19 Ų1962.9 Ų62.913%0.12833%0.325CS..PPolyproline II helixtrans-92.8146.4176.5-55.40000111.5C292C279-C292 WeakPolarHBondContact CA-SG 3.46Å; C279-C292 HydrophobicContact CB-CB 3.81Å; C279-C292 WeakPolarHBondContact CB-SG 3.41Å; C279-C292 VanDerWaalsContact SG-CA 3.52Å; C279-C292 WeakPolarHBondContact SG-CB 3.39Å; C279-C292 CovalentContact SG-SG 2.04Å; C279-C292 PolarHBondContact SG-SG 3.36Å
280N94.2Very high91.2Very high74 Ų7460.4 Ų60.440%0.39632%0.319SS..PPolyproline II helixtrans-64.4163169.4-64.2-46.5000110.2Q266 Q267 G282 Y283Q266-N280 VanDerWaalsContact OE1-CB 3.27Å; Q266-N280 VanDerWaalsContact OE1-CG 3.28Å; Q266-N280 PolarHBondContact OE1-ND2 3.32Å; Q267-N280 PolarHBondContact NE2-OD1 2.03Å; N280-G282 PolarHBondContact O-N 2.98Å; N280-Y283 HydrophobicContact CB-CD2 4.42Å; N280-Y283 PolarHBondContact O-N 3.27Å
281Q93.4Very high91.3Very high191 Ų19161.7 Ų61.789%0.89333%0.326SS*.THydrogen-bonded Turntrans-55.7137174.4-174.91762.900111.3
282G92.4Very high91.5Very high9 Ų961.6 Ų61.69%0.09333%0.327CS..THydrogen-bonded Turntrans92-4.1-175.300000114.4N280 I295N280-G282 PolarHBondContact O-N 2.98Å; G282-I295 WeakPolarHBondContact O-CB 3.42Å; G282-I295 PolarHBondContact O-N 3.45Å
283Y95.5Very high91.8Very high61 Ų6163.1 Ų63.124%0.23933%0.332CS..EExtended strand (participates in β ladder)trans-124.7146.2-180-63.6-96.7000111.7N280 C292 E293 D294 P313 G314N280-Y283 HydrophobicContact CB-CD2 4.42Å; N280-Y283 PolarHBondContact O-N 3.27Å; Y283-C292 HydrophobicContact CD1-CB 4.43Å; Y283-E293 CarbonylContact C-O 3.57Å; Y283-E293 WeakPolarHBondContact CA-O 3.44Å; Y283-E293 WeakPolarHBondContact CB-O 3.2Å; Y283-D294 HydrophobicContact CD1-CB 4.42Å; Y283-D294 HydrophobicContact CE1-CB 4.29Å; Y283-P313 WeakPolarHBondContact OH-CB 3.17Å; Y283-P313 PolarHBondContact OH-O 2.76Å; Y283-G314 PolarHBondContact OH-N 2.97Å
284E93.1Very high92.2Very high114 Ų11464.5 Ų64.553%0.53333%0.334SS..EExtended strand (participates in β ladder)trans-112.3152.3171.563.6-180-174.400111.7C292 E293 I295E284-C292 CarbonylContact O-C 3.58Å; E284-C292 WeakPolarHBondContact O-CA 3.35Å; E284-E293 PolarHBondContact N-O 3.17Å; E284-E293 PolarHBondContact O-N 2.89Å; E284-I295 HydrophobicContact CB-CD1 4.21Å; E284-I295 HydrophobicContact CB-CG1 3.91Å; E284-I295 HydrophobicContact CG-CG1 3.99Å
285L93.2Very high92.4Very high71 Ų7165.3 Ų65.337%0.37234%0.336SS..EExtended strand (participates in β ladder)trans-80.1125.1-177.8-167.774.5000109.5C277 R289C277-L285 HydrophobicContact CB-CD1 3.85Å; L285-R289 HydrophobicContact CD2-CB 4.03Å; L285-R289 HydrophobicContact CD2-CG 4.39Å
286S91.9Very high92.6Very high16 Ų1666.3 Ų66.311%0.11234%0.342CS..  trans-64.6167.3-179.3-170.60000112.3D288 R289 N291 E293S286-D288 PolarHBondContact O-N 2.97Å; S286-D288 VanDerWaalsContact O-N 3.13Å; S286-R289 PolarHBondContact O-N 2.92Å; S286-N291 WeakPolarHBondContact CB-O 3.27Å; S286-N291 PolarHBondContact N-O 2.72Å; S286-E293 WeakPolarHBondContact CB-OE1 3.39Å; S286-E293 PolarHBondContact OG-OE1 3.34Å
287S90.3Very high92.7Very high123 Ų12366.5 Ų66.586%0.8634%0.342SS*.THydrogen-bonded Turntrans-56.1-25.5176.563.50000114.2R289S287-R289 VanDerWaalsContact C-N 3.29Å
288D90.4Very high92.8Very high72 Ų7267.3 Ų67.339%0.38535%0.348SS..THydrogen-bonded Turntrans-77-12175.465.217.8000114.1S286 L290 N291S286-D288 PolarHBondContact O-N 2.97Å; S286-D288 VanDerWaalsContact O-N 3.13Å; D288-L290 PolarHBondContact O-N 3.44Å; D288-L290 PolarHBondContact OD1-N 2.04Å; D288-N291 PolarHBondContact OD1-N 2.76Å; D288-N291 PolarHBondContact OD2-ND2 3.42Å
289R88.1Confident92.8Very high105 Ų10574.3 Ų74.340%0.39637%0.372SS..SBendtrans62.314.8-175.9-54.8-179.2174.4-133.2-3.4115.5Q76 C277 L285 S286 S287Q76-R289 PolarHBondContact O-NH1 2.86Å; C277-R289 WeakPolarHBondContact CB-O 3.05Å; C277-R289 PolarHBondContact SG-O 3.43Å; C277-R289 VanDerWaalsContact SG-O 3.39Å; L285-R289 HydrophobicContact CD2-CB 4.03Å; L285-R289 HydrophobicContact CD2-CG 4.39Å; S286-R289 PolarHBondContact O-N 2.92Å; S287-R289 VanDerWaalsContact C-N 3.29Å
290L90.3Very high92.4Very high56 Ų5678.7 Ų78.729%0.29340%0.398SS..SBendtrans-117.4-40.9-179.4-60.9177.3000111.8Q263 A265 F275 D288Q263-L290 HydrophobicContact CB-CD2 4.37Å; A265-L290 PolarHBondContact N-O 3.35Å; F275-L290 HydrophobicContact CE2-CD2 3.58Å; F275-L290 HydrophobicContact CZ-CD2 3.62Å; D288-L290 PolarHBondContact O-N 3.44Å; D288-L290 PolarHBondContact OD1-N 2.04Å
291N92Very high92Very high82 Ų8277.2 Ų77.244%0.43939%0.393SS..  trans-91.6150.6-177.6-74.1-56.6000112.2S286 D288S286-N291 WeakPolarHBondContact CB-O 3.27Å; S286-N291 PolarHBondContact N-O 2.72Å; D288-N291 PolarHBondContact OD1-N 2.76Å; D288-N291 PolarHBondContact OD2-ND2 3.42Å
292C94.2Very high91.5Very high21 Ų2172.7 Ų72.714%0.14238%0.383CS..EExtended strand (participates in β ladder)trans-112.9111.7176.7-700000109Q266 C279 Y283 E284Q266-C292 HydrophobicContact CG-CB 3.93Å; C279-C292 WeakPolarHBondContact CA-SG 3.46Å; C279-C292 HydrophobicContact CB-CB 3.81Å; C279-C292 WeakPolarHBondContact CB-SG 3.41Å; C279-C292 VanDerWaalsContact SG-CA 3.52Å; C279-C292 WeakPolarHBondContact SG-CB 3.39Å; C279-C292 CovalentContact SG-SG 2.04Å; C279-C292 PolarHBondContact SG-SG 3.36Å; Y283-C292 HydrophobicContact CD1-CB 4.43Å; E284-C292 CarbonylContact O-C 3.58Å; E284-C292 WeakPolarHBondContact O-CA 3.35Å
293E94.2Very high91.1Very high104 Ų10482.2 Ų82.249%0.48642%0.417SS..EExtended strand (participates in β ladder)trans-90.4149.6177.7-72.1178-144.100110.2Y283 E284 S286Y283-E293 CarbonylContact C-O 3.57Å; Y283-E293 WeakPolarHBondContact CA-O 3.44Å; Y283-E293 WeakPolarHBondContact CB-O 3.2Å; E284-E293 PolarHBondContact N-O 3.17Å; E284-E293 PolarHBondContact O-N 2.89Å; S286-E293 WeakPolarHBondContact CB-OE1 3.39Å; S286-E293 PolarHBondContact OG-OE1 3.34Å
294D95.4Very high90.8Very high50 Ų5080.7 Ų80.727%0.26741%0.414SS..EExtended strand (participates in β ladder)trans-75130.9-178.7-177.250000110.9Y283 D296 N311 P313 G314Y283-D294 HydrophobicContact CD1-CB 4.42Å; Y283-D294 HydrophobicContact CE1-CB 4.29Å; D294-D296 PolarHBondContact O-N 3.24Å; D294-N311 PolarHBondContact OD2-ND2 3.31Å; D294-P313 WeakPolarHBondContact OD1-CA 3.46Å; D294-G314 PolarHBondContact OD1-N 3.36Å
295I94Very high90.7Very high52 Ų5276.1 Ų76.127%0.26739%0.394SS..  trans-78.4110.1179.1-60.3172.3000108.3G282 E284 E297 N311G282-I295 WeakPolarHBondContact O-CB 3.42Å; G282-I295 PolarHBondContact O-N 3.45Å; E284-I295 HydrophobicContact CB-CD1 4.21Å; E284-I295 HydrophobicContact CB-CG1 3.91Å; E284-I295 HydrophobicContact CG-CG1 3.99Å; I295-E297 VanDerWaalsContact C-N 3.29Å; I295-E297 HydrophobicContact CG2-CG 4.14Å; I295-E297 WeakPolarHBondContact O-CG 3.08Å; I295-E297 PolarHBondContact O-N 2.98Å; I295-N311 PolarHBondContact O-OD1 2.84Å
296D93.8Very high90.5Very high54 Ų5476.9 Ų76.929%0.28940%0.396SS..  trans-70.486.7172.8-169.5-27.3000110.7D294 C298 R299 T300 N311D294-D296 PolarHBondContact O-N 3.24Å; D296-C298 PolarHBondContact O-N 3.05Å; D296-C298 WeakPolarHBondContact OD1-CB 3.47Å; D296-C298 PolarHBondContact OD1-N 2.73Å; D296-R299 HydrophobicContact CB-CB 4.18Å; D296-R299 HydrophobicContact CB-CG 4.27Å; D296-R299 VanDerWaalsContact CG-CD 3.48Å; D296-R299 VanDerWaalsContact CG-CG 3.43Å; D296-R299 PolarHBondContact O-N 2.99Å; D296-R299 VanDerWaalsContact O-N 3.17Å; D296-R299 WeakPolarHBondContact OD1-CG 3.45Å; D296-R299 PolarHBondContact OD1-N 3.22Å; D296-R299 WeakPolarHBondContact OD2-CD 3.25Å; D296-R299 VanDerWaalsContact OD2-CG 3.25Å; D296-R299 WeakPolarHBondContact OD2-CG 2.95Å; D296-T300 PolarHBondContact O-N 2.83Å; D296-T300 VanDerWaalsContact O-N 3.14Å; D296-T300 PolarHBondContact O-OG1 3Å; D296-N311 WeakPolarHBondContact CA-OD1 3.37Å
297E93.1Very high90.4Very high40 Ų4081.3 Ų81.319%0.18741%0.41CS..Hα-helixtrans-65.8-33.2-177.6-62.5139.2134.600110.4I295 R299 T300 S301 L304 N311 F316I295-E297 VanDerWaalsContact C-N 3.29Å; I295-E297 HydrophobicContact CG2-CG 4.14Å; I295-E297 WeakPolarHBondContact O-CG 3.08Å; I295-E297 PolarHBondContact O-N 2.98Å; E297-R299 VanDerWaalsContact C-N 3.26Å; E297-R299 PolarHBondContact O-N 3.33Å; E297-T300 WeakPolarHBondContact O-CB 3.4Å; E297-T300 PolarHBondContact O-N 2.82Å; E297-S301 PolarHBondContact O-N 3.43Å; E297-L304 VanDerWaalsContact C-CD1 3.48Å; E297-L304 HydrophobicContact CB-CD1 3.75Å; E297-L304 WeakPolarHBondContact O-CD1 3.1Å; E297-N311 PolarHBondContact N-OD1 2.99Å; E297-F316 HydrophobicContact CB-CB 4.29Å; E297-F316 HydrophobicContact CB-CD1 3.87Å; E297-F316 HydrophobicContact CB-CG 4.3Å; E297-F316 HydrophobicContact CG-CD1 4.18Å; E297-F316 WeakPolarHBondContact OE2-CB 3.3Å; E297-F316 WeakPolarHBondContact OE2-CD1 3.4Å; E297-F316 PolarHBondContact OE2-N 2.87Å
298C92.7Very high90.4Very high33 Ų3380 Ų8022%0.22339%0.391CS..Hα-helixtrans-63.2-29.9176-58.70000112.8D296 C309 V310 N311D296-C298 PolarHBondContact O-N 3.05Å; D296-C298 WeakPolarHBondContact OD1-CB 3.47Å; D296-C298 PolarHBondContact OD1-N 2.73Å; C298-C309 WeakPolarHBondContact CA-SG 3.41Å; C298-C309 HydrophobicContact CB-CB 3.7Å; C298-C309 WeakPolarHBondContact CB-SG 3.48Å; C298-C309 WeakPolarHBondContact SG-CB 3.39Å; C298-C309 CovalentContact SG-SG 2.04Å; C298-C309 PolarHBondContact SG-SG 3.38Å; C298-V310 PolarHBondContact SG-N 3.16Å; C298-V310 VanDerWaalsContact SG-N 3.44Å; C298-N311 PolarHBondContact SG-N 2.04Å; C298-N311 VanDerWaalsContact SG-N 3.43Å
299R92Very high90.6Very high214 Ų21478.2 Ų78.281%0.80838%0.383SS*.Hα-helixtrans-81.3-24.6169.8-71.7177.771.8174.1-0.6113.5D296 E297D296-R299 HydrophobicContact CB-CB 4.18Å; D296-R299 HydrophobicContact CB-CG 4.27Å; D296-R299 VanDerWaalsContact CG-CD 3.48Å; D296-R299 VanDerWaalsContact CG-CG 3.43Å; D296-R299 PolarHBondContact O-N 2.99Å; D296-R299 VanDerWaalsContact O-N 3.17Å; D296-R299 WeakPolarHBondContact OD1-CG 3.45Å; D296-R299 PolarHBondContact OD1-N 3.22Å; D296-R299 WeakPolarHBondContact OD2-CD 3.25Å; D296-R299 VanDerWaalsContact OD2-CG 3.25Å; D296-R299 WeakPolarHBondContact OD2-CG 2.95Å; E297-R299 VanDerWaalsContact C-N 3.26Å; E297-R299 PolarHBondContact O-N 3.33Å
300T86.9Confident90.9Very high110 Ų11075.5 Ų75.568%0.67538%0.378SS*.Hα-helixtrans-77-35.3-178.7-56.40000112.2D296 E297D296-T300 PolarHBondContact O-N 2.83Å; D296-T300 VanDerWaalsContact O-N 3.14Å; D296-T300 PolarHBondContact O-OG1 3Å; E297-T300 WeakPolarHBondContact O-CB 3.4Å; E297-T300 PolarHBondContact O-N 2.82Å
301S84.8Confident91.1Very high43 Ų4375.1 Ų75.130%0.30138%0.377SS..  trans-151123.8178177.40000114.1E297 Y303 L304E297-S301 PolarHBondContact O-N 3.43Å; S301-Y303 PolarHBondContact O-N 3.25Å; S301-Y303 PolarHBondContact OG-N 3.46Å; S301-L304 WeakPolarHBondContact O-CG 3.43Å
302S82.7Confident91.2Very high97 Ų9774.1 Ų74.168%0.67837%0.37SS*.THydrogen-bonded Turntrans-69.8-8.4174.555.20000114.5
303Y85.6Confident91.2Very high208 Ų20878 Ų7882%0.81639%0.394SS*.THydrogen-bonded Turntrans-102.59.7-175.8-56.2-76000113.9S301S301-Y303 PolarHBondContact O-N 3.25Å; S301-Y303 PolarHBondContact OG-N 3.46Å
304L88.5Confident91.1Very high30 Ų3074 Ų7416%0.15738%0.381CS..SBendtrans-69.1-36-179.8-70.3175.5000113.4E297 S301 F316 R330E297-L304 VanDerWaalsContact C-CD1 3.48Å; E297-L304 HydrophobicContact CB-CD1 3.75Å; E297-L304 WeakPolarHBondContact O-CD1 3.1Å; S301-L304 WeakPolarHBondContact O-CG 3.43Å; L304-F316 HydrophobicContact CB-CD2 4.31Å; L304-F316 HydrophobicContact CB-CE2 3.79Å; L304-F316 HydrophobicContact CB-CZ 4.14Å; L304-F316 HydrophobicContact CD1-CD1 4.4Å; L304-F316 HydrophobicContact CD1-CD2 4.4Å; L304-F316 HydrophobicContact CD1-CE1 4.32Å; L304-F316 HydrophobicContact CD1-CE2 4.33Å; L304-F316 HydrophobicContact CD1-CG 4.43Å; L304-F316 HydrophobicContact CD1-CZ 4.28Å; L304-F316 HydrophobicContact CD2-CE1 4.31Å; L304-F316 HydrophobicContact CD2-CE2 4.45Å; L304-F316 HydrophobicContact CD2-CZ 3.92Å; L304-F316 HydrophobicContact CG-CE2 4.42Å; L304-F316 HydrophobicContact CG-CZ 4.34Å; L304-R330 VanDerWaalsContact O-CD 3.32Å; L304-R330 WeakPolarHBondContact O-CD 3.33Å; L304-R330 WeakPolarHBondContact O-CG 3.18Å
305C90.9Very high91Very high17 Ų1776.7 Ų76.712%0.11539%0.391CS..SBendtrans-127.1147.4-175.4-59.90000110.4Y307 Q308 C309 C318C305-Y307 VanDerWaalsContact C-N 3.32Å; C305-Y307 PolarHBondContact O-N 3.28Å; C305-Q308 WeakPolarHBondContact CB-O 3.45Å; C305-C309 HydrophobicContact CB-CB 4.23Å; C305-C318 WeakPolarHBondContact CA-SG 3.06Å; C305-C318 HydrophobicContact CB-CB 3.63Å; C305-C318 WeakPolarHBondContact CB-SG 3.08Å; C305-C318 WeakPolarHBondContact SG-CA 3.39Å; C305-C318 WeakPolarHBondContact SG-CB 3.08Å; C305-C318 CovalentContact SG-SG 2.03Å; C305-C318 PolarHBondContact SG-SG 2.84Å
306Q88.4Confident91Very high88 Ų8876.2 Ų76.241%0.41139%0.387SS..SBendtrans-72.3-23.1-179.8-174.6170.60.900114.1R330 T331 F493Q306-R330 WeakPolarHBondContact CB-O 3.32Å; Q306-R330 PolarHBondContact N-O 3.13Å; Q306-T331 VanDerWaalsContact OE1-CB 3.22Å; Q306-F493 HydrophobicContact CG-CD1 4.43Å
307Y89.4Confident91Very high108 Ų10875.6 Ų75.642%0.42439%0.386SS..SBendtrans-128.7-73.1179.3178.5-108.5000112.2C305 P321 F491 F493C305-Y307 VanDerWaalsContact C-N 3.32Å; C305-Y307 PolarHBondContact O-N 3.28Å; Y307-P321 HydrophobicContact CD1-CB 4.41Å; Y307-P321 HydrophobicContact CD1-CG 4.33Å; Y307-P321 HydrophobicContact CD2-CG 4.4Å; Y307-P321 HydrophobicContact CE1-CB 3.98Å; Y307-P321 HydrophobicContact CE1-CG 4.34Å; Y307-P321 HydrophobicContact CE2-CG 4.43Å; Y307-P321 HydrophobicContact CG-CG 4.36Å; Y307-F491 HydrophobicContact CD2-CE1 4.33Å; Y307-F491 HydrophobicContact CE2-CD1 4.19Å; Y307-F491 AromaticContact CE2-CE1 3.6Å; Y307-F491 HydrophobicContact CE2-CE1 3.6Å; Y307-F491 HydrophobicContact CE2-CZ 4.24Å; Y307-F493 HydrophobicContact CD2-CE1 4.5Å; Y307-F493 HydrophobicContact CD2-CZ 4.49Å
308Q91.7Very high91.1Very high95 Ų9574.3 Ų74.344%0.44438%0.382SS..EExtended strand (participates in β ladder)trans-130.6136.6-177.5-174.9171.44.100110.9C305 C318 M319C305-Q308 WeakPolarHBondContact CB-O 3.45Å; Q308-C318 CarbonylContact O-C 3.56Å; Q308-C318 WeakPolarHBondContact O-CA 3.03Å; Q308-M319 HydrophobicContact CB-CB 4.38Å; Q308-M319 PolarHBondContact N-O 2.04Å; Q308-M319 PolarHBondContact O-N 3.11Å
309C94.6Very high91.1Very high35 Ų3577.4 Ų77.424%0.23639%0.394CS..EExtended strand (participates in β ladder)trans-100.7138.5171.3-172.70000108.9C298 C305C298-C309 WeakPolarHBondContact CA-SG 3.41Å; C298-C309 HydrophobicContact CB-CB 3.7Å; C298-C309 WeakPolarHBondContact CB-SG 3.48Å; C298-C309 WeakPolarHBondContact SG-CB 3.39Å; C298-C309 CovalentContact SG-SG 2.04Å; C298-C309 PolarHBondContact SG-SG 3.38Å; C305-C309 HydrophobicContact CB-CB 4.23Å
310V94.7Very high91.2Very high48 Ų4868.3 Ų68.329%0.29136%0.363SS..EExtended strand (participates in β ladder)trans-125.5123.7172177.70000108C298 F316 S317 M319C298-V310 PolarHBondContact SG-N 3.16Å; C298-V310 VanDerWaalsContact SG-N 3.44Å; V310-F316 WeakPolarHBondContact O-CA 3.01Å; V310-S317 PolarHBondContact N-O 2.91Å; V310-S317 PolarHBondContact O-N 2.83Å; V310-M319 HydrophobicContact CG2-CG 3.98Å; V310-M319 HydrophobicContact CG2-SD 3.6Å
311N94.1Very high91.4Very high49 Ų4963.7 Ų63.726%0.26234%0.335SS..EExtended strand (participates in β ladder)trans-80.9135.3178.9-164.562.3000110.3D294 I295 D296 E297 C298D294-N311 PolarHBondContact OD2-ND2 3.31Å; I295-N311 PolarHBondContact O-OD1 2.84Å; D296-N311 WeakPolarHBondContact CA-OD1 3.37Å; E297-N311 PolarHBondContact N-OD1 2.99Å; C298-N311 PolarHBondContact SG-N 2.04Å; C298-N311 VanDerWaalsContact SG-N 3.43Å
312E94.1Very high91.7Very high61 Ų6170.8 Ų70.829%0.28536%0.363SS..EExtended strand (participates in β ladder)trans-134.1156.2175.5-49.6168.878.300109.4G314 K315 S317E312-G314 PolarHBondContact O-N 3.05Å; E312-K315 CarbonylContact C-O 3.3Å; E312-K315 VanDerWaalsContact C-O 3.31Å; E312-K315 VanDerWaalsContact CA-O 3.27Å; E312-K315 WeakPolarHBondContact CA-O 3.4Å; E312-K315 HydrophobicContact CB-CG 4.25Å; E312-K315 WeakPolarHBondContact CB-O 3.17Å; E312-K315 PolarHBondContact N-O 3.14Å; E312-K315 CarbonylContact O-C 3.55Å; E312-K315 PolarHBondContact O-N 3.17Å; E312-K315 IonicContact OE1-NZ 2.68Å; E312-K315 PolarHBondContact OE1-NZ 3.25Å; E312-K315 IonicContact OE2-NZ 3.55Å; E312-K315 PolarHBondContact OE2-NZ 2.72Å; E312-S317 WeakPolarHBondContact OE2-CB 3.32Å; E312-S317 PolarHBondContact OE2-OG 2.54Å
313P93.8Very high92.1Very high101 Ų10166.6 Ų66.666%0.65634%0.335SS*.THydrogen-bonded Turntrans-58110.6-177.2-27.636.6000113.8Y283 D294Y283-P313 WeakPolarHBondContact OH-CB 3.17Å; Y283-P313 PolarHBondContact OH-O 2.76Å; D294-P313 WeakPolarHBondContact OD1-CA 3.46Å
314G92Very high92.4Very high21 Ų2157.3 Ų57.322%0.21630%0.299CS..THydrogen-bonded Turntrans82.86.4-179.700000115.6Y283 D294 E312Y283-G314 PolarHBondContact OH-N 2.97Å; D294-G314 PolarHBondContact OD1-N 3.36Å; E312-G314 PolarHBondContact O-N 3.05Å
315K93.5Very high92.6Very high106 Ų10660.5 Ų60.546%0.46131%0.313SS..EExtended strand (participates in β ladder)trans-168.8148.217966.3-170.1176.575.30112.8E312E312-K315 CarbonylContact C-O 3.3Å; E312-K315 VanDerWaalsContact C-O 3.31Å; E312-K315 VanDerWaalsContact CA-O 3.27Å; E312-K315 WeakPolarHBondContact CA-O 3.4Å; E312-K315 HydrophobicContact CB-CG 4.25Å; E312-K315 WeakPolarHBondContact CB-O 3.17Å; E312-K315 PolarHBondContact N-O 3.14Å; E312-K315 CarbonylContact O-C 3.55Å; E312-K315 PolarHBondContact O-N 3.17Å; E312-K315 IonicContact OE1-NZ 2.68Å; E312-K315 PolarHBondContact OE1-NZ 3.25Å; E312-K315 IonicContact OE2-NZ 3.55Å; E312-K315 PolarHBondContact OE2-NZ 2.72Å
316F93.5Very high92.7Very high43 Ų4362.7 Ų62.719%0.18933%0.326CS..EExtended strand (participates in β ladder)trans-89.9156161.470.8-76.5000113.3E297 L304 V310E297-F316 HydrophobicContact CB-CB 4.29Å; E297-F316 HydrophobicContact CB-CD1 3.87Å; E297-F316 HydrophobicContact CB-CG 4.3Å; E297-F316 HydrophobicContact CG-CD1 4.18Å; E297-F316 WeakPolarHBondContact OE2-CB 3.3Å; E297-F316 WeakPolarHBondContact OE2-CD1 3.4Å; E297-F316 PolarHBondContact OE2-N 2.87Å; L304-F316 HydrophobicContact CB-CD2 4.31Å; L304-F316 HydrophobicContact CB-CE2 3.79Å; L304-F316 HydrophobicContact CB-CZ 4.14Å; L304-F316 HydrophobicContact CD1-CD1 4.4Å; L304-F316 HydrophobicContact CD1-CD2 4.4Å; L304-F316 HydrophobicContact CD1-CE1 4.32Å; L304-F316 HydrophobicContact CD1-CE2 4.33Å; L304-F316 HydrophobicContact CD1-CG 4.43Å; L304-F316 HydrophobicContact CD1-CZ 4.28Å; L304-F316 HydrophobicContact CD2-CE1 4.31Å; L304-F316 HydrophobicContact CD2-CE2 4.45Å; L304-F316 HydrophobicContact CD2-CZ 3.92Å; L304-F316 HydrophobicContact CG-CE2 4.42Å; L304-F316 HydrophobicContact CG-CZ 4.34Å; V310-F316 WeakPolarHBondContact O-CA 3.01Å
317S93.7Very high92.8Very high40 Ų4060.2 Ų60.228%0.2832%0.317SS..EExtended strand (participates in β ladder)trans-120.8148.8162.850.50000111.3V310 E312V310-S317 PolarHBondContact N-O 2.91Å; V310-S317 PolarHBondContact O-N 2.83Å; E312-S317 WeakPolarHBondContact OE2-CB 3.32Å; E312-S317 PolarHBondContact OE2-OG 2.54Å
318C94.7Very high92.8Very high13 Ų1365.9 Ų65.99%0.08834%0.337CS..EExtended strand (participates in β ladder)trans-98.1133.2173.3-61.70000109.9C305 Q308 V326 S329C305-C318 WeakPolarHBondContact CA-SG 3.06Å; C305-C318 HydrophobicContact CB-CB 3.63Å; C305-C318 WeakPolarHBondContact CB-SG 3.08Å; C305-C318 WeakPolarHBondContact SG-CA 3.39Å; C305-C318 WeakPolarHBondContact SG-CB 3.08Å; C305-C318 CovalentContact SG-SG 2.03Å; C305-C318 PolarHBondContact SG-SG 2.84Å; Q308-C318 CarbonylContact O-C 3.56Å; Q308-C318 WeakPolarHBondContact O-CA 3.03Å; C318-V326 VanDerWaalsContact O-CG2 3.23Å; C318-V326 WeakPolarHBondContact O-CG2 3.46Å; C318-S329 WeakPolarHBondContact CB-O 3.38Å; C318-S329 PolarHBondContact SG-O 2.91Å; C318-S329 VanDerWaalsContact SG-O 3.32Å
319M93.9Very high92.6Very high99 Ų9965.8 Ų65.849%0.48835%0.347SS..EExtended strand (participates in β ladder)trans-107.8145.5172.5-67.8-172.370.400110.6Q308 V310Q308-M319 HydrophobicContact CB-CB 4.38Å; Q308-M319 PolarHBondContact N-O 2.04Å; Q308-M319 PolarHBondContact O-N 3.11Å; V310-M319 HydrophobicContact CG2-CG 3.98Å; V310-M319 HydrophobicContact CG2-SD 3.6Å
320C93.3Very high92.4Very high22 Ų2270.2 Ų70.215%0.14936%0.359CS..  trans-110.1154.6172.3-64.90000109.7V326 C332C320-V326 HydrophobicContact CB-CG2 4.31Å; C320-V326 VanDerWaalsContact SG-CG2 3.59Å; C320-C332 WeakPolarHBondContact CA-SG 3.02Å; C320-C332 HydrophobicContact CB-CB 3.84Å; C320-C332 WeakPolarHBondContact CB-SG 3.32Å; C320-C332 WeakPolarHBondContact SG-CA 3.43Å; C320-C332 WeakPolarHBondContact SG-CB 3.3Å; C320-C332 CovalentContact SG-SG 2.04Å; C320-C332 PolarHBondContact SG-SG 3.21Å
321P92.1Very high92.2Very high14 Ų1470.7 Ų70.79%0.09136%0.362CS..  trans-71.1167.1175.531.1-32.1000110.8Y307 Y324 F491 F493Y307-P321 HydrophobicContact CD1-CB 4.41Å; Y307-P321 HydrophobicContact CD1-CG 4.33Å; Y307-P321 HydrophobicContact CD2-CG 4.4Å; Y307-P321 HydrophobicContact CE1-CB 3.98Å; Y307-P321 HydrophobicContact CE1-CG 4.34Å; Y307-P321 HydrophobicContact CE2-CG 4.43Å; Y307-P321 HydrophobicContact CG-CG 4.36Å; P321-Y324 HydrophobicContact CG-CD2 3.85Å; P321-Y324 HydrophobicContact CG-CE2 4.35Å; P321-Y324 HydrophobicContact CG-CG 4.46Å; P321-Y324 WeakPolarHBondContact O-CB 3.44Å; P321-Y324 PolarHBondContact O-N 2.03Å; P321-Y324 VanDerWaalsContact O-N 3.12Å; P321-F491 HydrophobicContact CB-CD2 4.1Å; P321-F491 HydrophobicContact CB-CE1 4.31Å; P321-F491 HydrophobicContact CB-CE2 3.35Å; P321-F491 HydrophobicContact CB-CZ 3.47Å; P321-F491 VanDerWaalsContact CB-CZ 3.47Å; P321-F491 HydrophobicContact CG-CD1 4.33Å; P321-F491 HydrophobicContact CG-CD2 3.51Å; P321-F491 HydrophobicContact CG-CE1 4.15Å; P321-F491 HydrophobicContact CG-CE2 3.3Å; P321-F491 HydrophobicContact CG-CG 4.04Å; P321-F491 HydrophobicContact CG-CZ 3.65Å; P321-F493 HydrophobicContact CG-CE2 4.24Å; P321-F493 HydrophobicContact CG-CZ 3.78Å
322Q90.9Very high92.1Very high191 Ų19168.8 Ų68.889%0.89335%0.353SS*.THydrogen-bonded Turntrans-54.6140.2176.4-172.7175.5-0.600111.6
323G90Very high92Very high9 Ų971 Ų719%0.09336%0.363CS..THydrogen-bonded Turntrans86.9-1.8-171.800000114.4I335G323-I335 PolarHBondContact O-N 2.89Å
324Y92.2Very high91.9Very high13 Ų1367.8 Ų67.85%0.05134%0.34CS..EExtended strand (participates in β ladder)trans-130.7145-178.9-63.4-98.5000112.4P321 Q333 D334 H354 G355 F491 F493P321-Y324 HydrophobicContact CG-CD2 3.85Å; P321-Y324 HydrophobicContact CG-CE2 4.35Å; P321-Y324 HydrophobicContact CG-CG 4.46Å; P321-Y324 WeakPolarHBondContact O-CB 3.44Å; P321-Y324 PolarHBondContact O-N 2.03Å; P321-Y324 VanDerWaalsContact O-N 3.12Å; Y324-Q333 CarbonylContact C-O 3.26Å; Y324-Q333 WeakPolarHBondContact CA-O 3Å; Y324-D334 HydrophobicContact CD1-CB 4.36Å; Y324-D334 HydrophobicContact CE1-CB 4.23Å; Y324-H354 VanDerWaalsContact OH-C 3.31Å; Y324-G355 PolarHBondContact OH-N 3.06Å; Y324-F491 HydrophobicContact CD2-CD2 4.36Å; Y324-F491 HydrophobicContact CE2-CB 4.44Å; Y324-F491 AromaticContact CE2-CD2 3.67Å; Y324-F491 HydrophobicContact CE2-CD2 3.67Å; Y324-F491 HydrophobicContact CE2-CE2 4.48Å; Y324-F491 HydrophobicContact CE2-CG 4.48Å; Y324-F493 AromaticContact CD1-CD2 3.53Å; Y324-F493 HydrophobicContact CD1-CD2 3.53Å; Y324-F493 AromaticContact CD1-CE2 3.34Å; Y324-F493 HydrophobicContact CD1-CE2 3.34Å; Y324-F493 HydrophobicContact CD2-CE2 4.02Å; Y324-F493 AromaticContact CE1-CD2 3.3Å; Y324-F493 HydrophobicContact CE1-CD2 3.3Å; Y324-F493 AromaticContact CE1-CE2 3.4Å; Y324-F493 HydrophobicContact CE1-CE2 3.4Å; Y324-F493 HydrophobicContact CE1-CG 4.47Å; Y324-F493 HydrophobicContact CE2-CE2 4.06Å; Y324-F493 HydrophobicContact CG-CD2 4.31Å; Y324-F493 AromaticContact CG-CE2 3.66Å; Y324-F493 HydrophobicContact CG-CE2 3.66Å; Y324-F493 AromaticContact CZ-CD2 3.93Å; Y324-F493 AromaticContact CZ-CE2 3.74Å
325Q92.4Very high91.9Very high97 Ų9768.9 Ų68.945%0.45334%0.341SS..EExtended strand (participates in β ladder)trans-111.8149.9176.258.5176.9-3.500111.8V327 Q333 I335Q325-V327 HydrophobicContact CG-CG2 4.27Å; Q325-V327 PolarHBondContact O-N 2.9Å; Q325-Q333 PolarHBondContact N-O 3.47Å; Q325-Q333 PolarHBondContact O-N 2.9Å; Q325-I335 HydrophobicContact CB-CD1 4.18Å; Q325-I335 HydrophobicContact CB-CG1 3.89Å; Q325-I335 HydrophobicContact CG-CG1 3.9Å
326V93.2Very high91.8Very high63 Ų6366.1 Ų66.138%0.38233%0.331SS..EExtended strand (participates in β ladder)trans-78.6117177.8-175.30000109.5C318 C320 T331C318-V326 VanDerWaalsContact O-CG2 3.23Å; C318-V326 WeakPolarHBondContact O-CG2 3.46Å; C320-V326 HydrophobicContact CB-CG2 4.31Å; C320-V326 VanDerWaalsContact SG-CG2 3.59Å; V326-T331 CarbonylContact C-O 3.57Å; V326-T331 WeakPolarHBondContact CA-O 3.35Å
327V91.4Very high91.8Very high37 Ų3765.1 Ų65.122%0.22433%0.327CS..EExtended strand (participates in β ladder)trans-111.5138.8176.3176.30000108.9Q325 S329 R330 T331 Q333Q325-V327 HydrophobicContact CG-CG2 4.27Å; Q325-V327 PolarHBondContact O-N 2.9Å; V327-S329 PolarHBondContact O-N 3.39Å; V327-S329 VanDerWaalsContact O-N 3.13Å; V327-R330 PolarHBondContact O-N 3.12Å; V327-T331 PolarHBondContact N-O 2.75Å; V327-T331 PolarHBondContact O-N 2.95Å; V327-T331 PolarHBondContact O-OG1 3.28Å; V327-Q333 HydrophobicContact CB-CB 4.33Å; V327-Q333 HydrophobicContact CG2-CB 3.63Å
328R89Confident91.8Very high226 Ų22665.1 Ų65.185%0.85333%0.327SS*.THydrogen-bonded Turntrans51.533.8-175.9-61.6171-177.7179.41.2113.3R330R328-R330 PolarHBondContact O-N 2.83Å
329S88Confident91.7Very high94 Ų9472.1 Ų72.166%0.65736%0.358SS*.THydrogen-bonded Turntrans59.21.6179.6-47.10000117.1C318 V327C318-S329 WeakPolarHBondContact CB-O 3.38Å; C318-S329 PolarHBondContact SG-O 2.91Å; C318-S329 VanDerWaalsContact SG-O 3.32Å; V327-S329 PolarHBondContact O-N 3.39Å; V327-S329 VanDerWaalsContact O-N 3.13Å
330R89.8Confident91.5Very high127 Ų12772.1 Ų72.148%0.47936%0.364SS..THydrogen-bonded Turntrans-141.5-25.7-173.4-64.8-174.2-179.9-164.91.2115.5L304 Q306 V327 R328L304-R330 VanDerWaalsContact O-CD 3.32Å; L304-R330 WeakPolarHBondContact O-CD 3.33Å; L304-R330 WeakPolarHBondContact O-CG 3.18Å; Q306-R330 WeakPolarHBondContact CB-O 3.32Å; Q306-R330 PolarHBondContact N-O 3.13Å; V327-R330 PolarHBondContact O-N 3.12Å; R328-R330 PolarHBondContact O-N 2.83Å
331T91.3Very high90.9Very high58 Ų5873 Ų7336%0.35637%0.368SS..EExtended strand (participates in β ladder)trans-101.7147.6-176.751.30000111.4Q306 V326 V327Q306-T331 VanDerWaalsContact OE1-CB 3.22Å; V326-T331 CarbonylContact C-O 3.57Å; V326-T331 WeakPolarHBondContact CA-O 3.35Å; V327-T331 PolarHBondContact N-O 2.75Å; V327-T331 PolarHBondContact O-N 2.95Å; V327-T331 PolarHBondContact O-OG1 3.28Å
332C92.1Very high90.5Very high9 Ų979.9 Ų79.96%0.06141%0.405CS..EExtended strand (participates in β ladder)trans-101.8122.3176.2-63.50000109.6C320 F493C320-C332 WeakPolarHBondContact CA-SG 3.02Å; C320-C332 HydrophobicContact CB-CB 3.84Å; C320-C332 WeakPolarHBondContact CB-SG 3.32Å; C320-C332 WeakPolarHBondContact SG-CA 3.43Å; C320-C332 WeakPolarHBondContact SG-CB 3.3Å; C320-C332 CovalentContact SG-SG 2.04Å; C320-C332 PolarHBondContact SG-SG 3.21Å; C332-F493 HydrophobicContact CB-CD2 3.7Å; C332-F493 HydrophobicContact CB-CE2 3.37Å; C332-F493 HydrophobicContact CB-CZ 3.97Å
333Q91.2Very high90.5Very high109 Ų10977.4 Ų77.451%0.50939%0.393SS..EExtended strand (participates in β ladder)trans-114.5139.1174.6-173.7175.4-1500109.5Y324 Q325 V327 I335Y324-Q333 CarbonylContact C-O 3.26Å; Y324-Q333 WeakPolarHBondContact CA-O 3Å; Q325-Q333 PolarHBondContact N-O 3.47Å; Q325-Q333 PolarHBondContact O-N 2.9Å; V327-Q333 HydrophobicContact CB-CB 4.33Å; V327-Q333 HydrophobicContact CG2-CB 3.63Å; Q333-I335 PolarHBondContact O-N 3.26Å
334D91Very high90.6Very high33 Ų3378 Ų7818%0.17640%0.395CS..EExtended strand (participates in β ladder)trans-51.1133.7172.2-169.149000111.2Y324 N352 Y353 H354 G355Y324-D334 HydrophobicContact CD1-CB 4.36Å; Y324-D334 HydrophobicContact CE1-CB 4.23Å; D334-N352 PolarHBondContact OD2-ND2 3.43Å; D334-Y353 VanDerWaalsContact OD1-O 3.09Å; D334-H354 VanDerWaalsContact OD1-CA 3.29Å; D334-H354 WeakPolarHBondContact OD1-CA 3.32Å; D334-G355 PolarHBondContact OD1-N 3.19Å
335I92.4Very high90.7Very high43 Ų4385.4 Ų85.422%0.22142%0.423CS..  trans-82.3130170.3-62.7171.2000106.7G323 Q325 Q333 E337 T340 N352G323-I335 PolarHBondContact O-N 2.89Å; Q325-I335 HydrophobicContact CB-CD1 4.18Å; Q325-I335 HydrophobicContact CB-CG1 3.89Å; Q325-I335 HydrophobicContact CG-CG1 3.9Å; Q333-I335 PolarHBondContact O-N 3.26Å; I335-E337 HydrophobicContact CG2-CG 4.06Å; I335-E337 PolarHBondContact O-N 3.28Å; I335-E337 VanDerWaalsContact O-N 3.11Å; I335-T340 HydrophobicContact CG2-CG2 4.4Å; I335-N352 PolarHBondContact O-ND2 2.85Å; I335-N352 PolarHBondContact O-OD1 2.84Å
336N92.6Very high90.6Very high48 Ų4889.5 Ų89.526%0.25744%0.442SS..  trans-81.686.5169.4-169.9-8.4000109.1C338 E339 T340 N352N336-C338 PolarHBondContact O-N 2.86Å; N336-C338 WeakPolarHBondContact OD1-CB 3.41Å; N336-C338 PolarHBondContact OD1-N 2.85Å; N336-E339 HydrophobicContact CB-CB 4.21Å; N336-E339 HydrophobicContact CB-CG 4.41Å; N336-E339 WeakPolarHBondContact ND2-CG 3.45Å; N336-E339 PolarHBondContact ND2-OE1 2.9Å; N336-E339 PolarHBondContact ND2-OE2 2.78Å; N336-E339 PolarHBondContact O-N 2.9Å; N336-T340 PolarHBondContact O-N 3Å; N336-T340 VanDerWaalsContact O-N 3.07Å; N336-T340 PolarHBondContact O-OG1 3.31Å; N336-N352 VanDerWaalsContact CA-OD1 3.32Å; N336-N352 WeakPolarHBondContact CA-OD1 3.34Å; N336-N352 WeakPolarHBondContact OD1-CB 3.25Å; N336-N352 VanDerWaalsContact OD1-CG 3.3Å; N336-N352 PolarHBondContact OD1-OD1 3.43Å
337E93.4Very high90.5Very high22 Ų2291.4 Ų91.410%0.10345%0.45CS..Hα-helixtrans-65.1-19.8-179.4-62.599.5175.800112.5I335 E339 T340 T341 N352 G356 F357I335-E337 HydrophobicContact CG2-CG 4.06Å; I335-E337 PolarHBondContact O-N 3.28Å; I335-E337 VanDerWaalsContact O-N 3.11Å; E337-E339 PolarHBondContact O-N 2.04Å; E337-T340 WeakPolarHBondContact CA-OG1 3.02Å; E337-T341 HydrophobicContact CB-CG2 3.94Å; E337-T341 HydrophobicContact CG-CG2 4.25Å; E337-T341 CarbonylContact O-C 3.53Å; E337-T341 WeakPolarHBondContact O-CA 3.4Å; E337-T341 WeakPolarHBondContact O-CB 3.02Å; E337-T341 PolarHBondContact O-N 3.16Å; E337-T341 VanDerWaalsContact O-O 3.14Å; E337-T341 PolarHBondContact O-OG1 3.38Å; E337-N352 PolarHBondContact N-OD1 2.7Å; E337-N352 PolarHBondContact OE2-OD1 3.34Å; E337-G356 WeakPolarHBondContact OE2-CA 3.49Å; E337-F357 HydrophobicContact CB-CB 3.98Å; E337-F357 HydrophobicContact CB-CD1 3.3Å; E337-F357 HydrophobicContact CB-CE1 3.98Å; E337-F357 HydrophobicContact CB-CG 3.76Å; E337-F357 HydrophobicContact CG-CD1 3.78Å; E337-F357 HydrophobicContact CG-CE1 4.35Å; E337-F357 PolarHBondContact OE2-N 2.85Å
338C93Very high90.6Very high41 Ų4191.4 Ų91.428%0.27745%0.448SS..Hα-helixtrans-71.9-13.3170.9-58.80000114.3N336 C350 W351 N352N336-C338 PolarHBondContact O-N 2.86Å; N336-C338 WeakPolarHBondContact OD1-CB 3.41Å; N336-C338 PolarHBondContact OD1-N 2.85Å; C338-C350 WeakPolarHBondContact CA-SG 2.95Å; C338-C350 HydrophobicContact CB-CB 3.71Å; C338-C350 WeakPolarHBondContact CB-SG 3.38Å; C338-C350 WeakPolarHBondContact SG-CB 3.49Å; C338-C350 CovalentContact SG-SG 2.03Å; C338-C350 PolarHBondContact SG-SG 3.35Å; C338-W351 VanDerWaalsContact SG-C 3.54Å; C338-W351 PolarHBondContact SG-N 3.44Å; C338-W351 VanDerWaalsContact SG-N 3.38Å; C338-N352 PolarHBondContact SG-N 2.95Å
339E92.6Very high90.8Very high159 Ų15984.1 Ų84.174%0.74342%0.424SS*.Hα-helixtrans-104.5-27.2172.8-76.4172.5-168.800112.5N336 E337N336-E339 HydrophobicContact CB-CB 4.21Å; N336-E339 HydrophobicContact CB-CG 4.41Å; N336-E339 WeakPolarHBondContact ND2-CG 3.45Å; N336-E339 PolarHBondContact ND2-OE1 2.9Å; N336-E339 PolarHBondContact ND2-OE2 2.78Å; N336-E339 PolarHBondContact O-N 2.9Å; E337-E339 PolarHBondContact O-N 2.04Å
340T88.9Confident91.1Very high99 Ų9981.5 Ų81.561%0.60741%0.406SS*.Hα-helixtrans-102.9-22.9-174.561.30000114.2I335 N336 E337I335-T340 HydrophobicContact CG2-CG2 4.4Å; N336-T340 PolarHBondContact O-N 3Å; N336-T340 VanDerWaalsContact O-N 3.07Å; N336-T340 PolarHBondContact O-OG1 3.31Å; E337-T340 WeakPolarHBondContact CA-OG1 3.02Å
341T81.9Confident91.2Very high40 Ų4079.1 Ų79.125%0.24540%0.397CS..  trans-117.6158.6175.883.40000110.2E337E337-T341 HydrophobicContact CB-CG2 3.94Å; E337-T341 HydrophobicContact CG-CG2 4.25Å; E337-T341 CarbonylContact O-C 3.53Å; E337-T341 WeakPolarHBondContact O-CA 3.4Å; E337-T341 WeakPolarHBondContact O-CB 3.02Å; E337-T341 PolarHBondContact O-N 3.16Å; E337-T341 VanDerWaalsContact O-O 3.14Å; E337-T341 PolarHBondContact O-OG1 3.38Å
342N83.2Confident91.2Very high160 Ų16077.9 Ų77.986%0.85639%0.388SS*.  trans-127.550.9173.1-166.234000109.3
343E91.1Very high91.1Very high138 Ų13879.6 Ų79.665%0.64539%0.393SS*.  trans-85.5-19.2-172.3-72.5-177-153.800114F357E343-F357 HydrophobicContact CB-CE2 4.03Å; E343-F357 HydrophobicContact CB-CZ 3.74Å; E343-F357 HydrophobicContact CG-CZ 4.37Å; E343-F357 WeakPolarHBondContact OE2-CZ 3.33Å
344C92.9Very high91Very high21 Ų2176.7 Ų76.714%0.14238%0.38CS..SBendtrans-74.7147.9174.7-60.80000112.2E348 C350 C359C344-E348 HydrophobicContact CB-CB 4.18Å; C344-C350 HydrophobicContact CB-CB 4.42Å; C344-C350 VanDerWaalsContact SG-CB 3.55Å; C344-C359 WeakPolarHBondContact CA-SG 3.5Å; C344-C359 HydrophobicContact CB-CB 3.77Å; C344-C359 WeakPolarHBondContact CB-SG 3.35Å; C344-C359 VanDerWaalsContact SG-CA 3.51Å; C344-C359 WeakPolarHBondContact SG-CB 3.49Å; C344-C359 CovalentContact SG-SG 2.04Å; C344-C359 PolarHBondContact SG-SG 3.49Å
345R93.2Very high90.8Very high169 Ų16975.9 Ų75.964%0.63838%0.379SS*.  trans-72.2163.1177.4-58.9174179.9174.12.7111.9D347 E348R345-D347 WeakPolarHBondContact CB-OD1 3.46Å; R345-D347 PolarHBondContact O-N 2.91Å; R345-E348 HydrophobicContact CB-CB 4.4Å; R345-E348 HydrophobicContact CB-CG 4.07Å; R345-E348 WeakPolarHBondContact CB-OE2 3.09Å; R345-E348 WeakPolarHBondContact CG-OE2 3.45Å; R345-E348 PolarHBondContact N-OE2 3.14Å; R345-E348 WeakPolarHBondContact O-CB 3.45Å; R345-E348 PolarHBondContact O-N 3.16Å
346E90.2Very high90.7Very high184 Ų18474.2 Ų74.286%0.8637%0.372SS*.THydrogen-bonded Turntrans-60.3-33178.2-64.9-171.3165.200113E348 R362E346-E348 VanDerWaalsContact C-N 3.26Å; E346-E348 PolarHBondContact O-N 3.42Å; E346-R362 PolarHBondContact O-NE 2.86Å; E346-R362 PolarHBondContact O-NH2 3.34Å
347D91.8Very high90.6Very high102 Ų10274.1 Ų74.155%0.54537%0.37SS..THydrogen-bonded Turntrans-81.90.8175.965.2-48.1000114.1R345 R362R345-D347 WeakPolarHBondContact CB-OD1 3.46Å; R345-D347 PolarHBondContact O-N 2.91Å; D347-R362 WeakPolarHBondContact O-CB 3.35Å; D347-R362 WeakPolarHBondContact O-CG 3.38Å; D347-R362 PolarHBondContact O-N 2.83Å
348E94.1Very high90.6Very high38 Ų3877.8 Ų77.818%0.17838%0.383CS..EExtended strand (participates in β ladder)trans-110.5158178.9-65.1170.1161.600112C344 R345 E346 C359 Y360 R362C344-E348 HydrophobicContact CB-CB 4.18Å; R345-E348 HydrophobicContact CB-CB 4.4Å; R345-E348 HydrophobicContact CB-CG 4.07Å; R345-E348 WeakPolarHBondContact CB-OE2 3.09Å; R345-E348 WeakPolarHBondContact CG-OE2 3.45Å; R345-E348 PolarHBondContact N-OE2 3.14Å; R345-E348 WeakPolarHBondContact O-CB 3.45Å; R345-E348 PolarHBondContact O-N 3.16Å; E346-E348 VanDerWaalsContact C-N 3.26Å; E346-E348 PolarHBondContact O-N 3.42Å; E348-C359 HydrophobicContact CB-CB 4.03Å; E348-C359 HydrophobicContact CG-CB 4.32Å; E348-C359 WeakPolarHBondContact OE2-CB 3.34Å; E348-Y360 CarbonylContact C-O 3.59Å; E348-Y360 WeakPolarHBondContact CA-O 3.38Å; E348-R362 PolarHBondContact O-NE 3.12Å; E348-R362 PolarHBondContact O-NH2 2.81Å
349M91.6Very high90.6Very high72 Ų7277.5 Ų77.536%0.35538%0.381SS..EExtended strand (participates in β ladder)trans-115123.4172.617317865.500107.7W351 Y360 R362 Y397M349-W351 HydrophobicContact CE-CE3 4.34Å; M349-Y360 PolarHBondContact N-O 2.75Å; M349-Y360 PolarHBondContact O-N 3.4Å; M349-R362 HydrophobicContact CB-CG 4.43Å; M349-Y397 HydrophobicContact CE-CD2 4.16Å; M349-Y397 HydrophobicContact CE-CE2 3.91Å
350C94.1Very high90.6Very high39 Ų3970.9 Ų70.926%0.26435%0.349SS..EExtended strand (participates in β ladder)trans-71.9139.3173.7-167.70000110.9C338 C344C338-C350 WeakPolarHBondContact CA-SG 2.95Å; C338-C350 HydrophobicContact CB-CB 3.71Å; C338-C350 WeakPolarHBondContact CB-SG 3.38Å; C338-C350 WeakPolarHBondContact SG-CB 3.49Å; C338-C350 CovalentContact SG-SG 2.03Å; C338-C350 PolarHBondContact SG-SG 3.35Å; C344-C350 HydrophobicContact CB-CB 4.42Å; C344-C350 VanDerWaalsContact SG-CB 3.55Å
351W92.1Very high90.8Very high78 Ų7869.3 Ų69.330%0.29534%0.341SS..EExtended strand (participates in β ladder)trans-132119.8173.4-166.4-73.6000111C338 M349 F357 R358 Y360 Y397C338-W351 VanDerWaalsContact SG-C 3.54Å; C338-W351 PolarHBondContact SG-N 3.44Å; C338-W351 VanDerWaalsContact SG-N 3.38Å; M349-W351 HydrophobicContact CE-CE3 4.34Å; W351-F357 CarbonylContact O-C 3.5Å; W351-F357 WeakPolarHBondContact O-CA 3.47Å; W351-R358 PolarHBondContact N-O 3.4Å; W351-R358 PolarHBondContact O-N 3.28Å; W351-Y360 HydrophobicContact CB-CD2 3.82Å; W351-Y360 HydrophobicContact CB-CE2 3.85Å; W351-Y360 HydrophobicContact CG-CD2 4.5Å; W351-Y360 HydrophobicContact CG-CE2 4.23Å; W351-Y397 HydrophobicContact CD2-CD2 4.48Å; W351-Y397 HydrophobicContact CD2-CG 4.31Å; W351-Y397 AromaticContact CE3-CD2 3.89Å; W351-Y397 HydrophobicContact CE3-CD2 3.89Å; W351-Y397 HydrophobicContact CE3-CG 4.16Å; W351-Y397 VanDerWaalsContact CH2-O 3.28Å; W351-Y397 WeakPolarHBondContact CH2-O 3.31Å; W351-Y397 VanDerWaalsContact CZ2-C 3.48Å; W351-Y397 WeakPolarHBondContact CZ2-O 3.27Å; W351-Y397 HydrophobicContact CZ3-CD2 4.04Å; W351-Y397 HydrophobicContact CZ3-CG 4.47Å
352N91.4Very high91.3Very high32 Ų3274.5 Ų74.517%0.17136%0.356CS..EExtended strand (participates in β ladder)trans-85.7144.8-179.5-151.775.1000112.4D334 I335 N336 E337 C338D334-N352 PolarHBondContact OD2-ND2 3.43Å; I335-N352 PolarHBondContact O-ND2 2.85Å; I335-N352 PolarHBondContact O-OD1 2.84Å; N336-N352 VanDerWaalsContact CA-OD1 3.32Å; N336-N352 WeakPolarHBondContact CA-OD1 3.34Å; N336-N352 WeakPolarHBondContact OD1-CB 3.25Å; N336-N352 VanDerWaalsContact OD1-CG 3.3Å; N336-N352 PolarHBondContact OD1-OD1 3.43Å; E337-N352 PolarHBondContact N-OD1 2.7Å; E337-N352 PolarHBondContact OE2-OD1 3.34Å; C338-N352 PolarHBondContact SG-N 2.95Å
353Y90.4Very high91.7Very high45 Ų4571.1 Ų71.118%0.17634%0.338CS..EExtended strand (participates in β ladder)trans-147.9163.3173.964.1-97.7000111.1D334 G355 G356 F357 R358 I487D334-Y353 VanDerWaalsContact OD1-O 3.09Å; Y353-G355 PolarHBondContact O-N 2.04Å; Y353-G356 CarbonylContact C-O 3.54Å; Y353-G356 WeakPolarHBondContact CD1-O 3.07Å; Y353-G356 WeakPolarHBondContact CD2-O 3.08Å; Y353-G356 WeakPolarHBondContact CE1-O 3.49Å; Y353-G356 PolarHBondContact N-O 3.35Å; Y353-G356 PolarHBondContact O-N 3.36Å; Y353-F357 VanDerWaalsContact CE1-C 3.43Å; Y353-R358 HydrophobicContact CE1-CB 4.11Å; Y353-I487 HydrophobicContact CD1-CB 4.39Å; Y353-I487 HydrophobicContact CD1-CD1 3.73Å; Y353-I487 HydrophobicContact CD1-CG2 3.7Å; Y353-I487 HydrophobicContact CD2-CG2 3.66Å; Y353-I487 HydrophobicContact CE1-CD1 4.44Å; Y353-I487 HydrophobicContact CE1-CG2 3.98Å; Y353-I487 HydrophobicContact CE2-CG2 4Å; Y353-I487 HydrophobicContact CG-CB 4.22Å; Y353-I487 HydrophobicContact CG-CD1 4.24Å; Y353-I487 HydrophobicContact CG-CG2 3.52Å
354H88.3Confident91.9Very high47 Ų4766 Ų6622%0.21832%0.316CS..THydrogen-bonded Turntrans-56.5107.9-179.8-73-101.5000111.7Y324 D334 G489 P490 F493Y324-H354 VanDerWaalsContact OH-C 3.31Å; D334-H354 VanDerWaalsContact OD1-CA 3.29Å; D334-H354 WeakPolarHBondContact OD1-CA 3.32Å; H354-G489 WeakPolarHBondContact O-CA 3.36Å; H354-P490 WeakPolarHBondContact O-CD 3.29Å; H354-F493 PolarHBondContact ND1-O 3.44Å
355G87.4Confident91.9Very high16 Ų1666 Ų6617%0.16532%0.316CS..THydrogen-bonded Turntrans88.722.4-179.400000115.6Y324 D334 Y353Y324-G355 PolarHBondContact OH-N 3.06Å; D334-G355 PolarHBondContact OD1-N 3.19Å; Y353-G355 PolarHBondContact O-N 2.04Å
356G89.8Confident91.9Very high8 Ų864 Ų648%0.08231%0.314CS..EExtended strand (participates in β ladder)trans156.1-176.6168.200000114.8E337 Y353E337-G356 WeakPolarHBondContact OE2-CA 3.49Å; Y353-G356 CarbonylContact C-O 3.54Å; Y353-G356 WeakPolarHBondContact CD1-O 3.07Å; Y353-G356 WeakPolarHBondContact CD2-O 3.08Å; Y353-G356 WeakPolarHBondContact CE1-O 3.49Å; Y353-G356 PolarHBondContact N-O 3.35Å; Y353-G356 PolarHBondContact O-N 3.36Å
357F91.7Very high91.9Very high46 Ų4663 Ų6320%0.20232%0.315CS..EExtended strand (participates in β ladder)trans-124164.4177.273.6-71.9000112.1E337 E343 W351 Y353E337-F357 HydrophobicContact CB-CB 3.98Å; E337-F357 HydrophobicContact CB-CD1 3.3Å; E337-F357 HydrophobicContact CB-CE1 3.98Å; E337-F357 HydrophobicContact CB-CG 3.76Å; E337-F357 HydrophobicContact CG-CD1 3.78Å; E337-F357 HydrophobicContact CG-CE1 4.35Å; E337-F357 PolarHBondContact OE2-N 2.85Å; E343-F357 HydrophobicContact CB-CE2 4.03Å; E343-F357 HydrophobicContact CB-CZ 3.74Å; E343-F357 HydrophobicContact CG-CZ 4.37Å; E343-F357 WeakPolarHBondContact OE2-CZ 3.33Å; W351-F357 CarbonylContact O-C 3.5Å; W351-F357 WeakPolarHBondContact O-CA 3.47Å; Y353-F357 VanDerWaalsContact CE1-C 3.43Å
358R92.1Very high92Very high100 Ų10059.1 Ų59.138%0.37730%0.295SS..EExtended strand (participates in β ladder)trans-139.8136.7170.2178.4167.9-74.9-155.618.3111.4W351 Y353 Y360 E460W351-R358 PolarHBondContact N-O 3.4Å; W351-R358 PolarHBondContact O-N 3.28Å; Y353-R358 HydrophobicContact CE1-CB 4.11Å; R358-Y360 HydrophobicContact CB-CE2 4.19Å; R358-Y360 VanDerWaalsContact CD-CE1 3.5Å; R358-Y360 VanDerWaalsContact CD-CZ 3.41Å; R358-Y360 WeakPolarHBondContact CD-OH 3.46Å; R358-Y360 HydrophobicContact CG-CD1 4.4Å; R358-Y360 HydrophobicContact CG-CD2 4.37Å; R358-Y360 HydrophobicContact CG-CE1 4.05Å; R358-Y360 HydrophobicContact CG-CE2 4.03Å; R358-E460 WeakPolarHBondContact CD-OE1 3.44Å; R358-E460 IonicContact CZ-OE1 3.15Å; R358-E460 IonicContact CZ-OE2 2.68Å; R358-E460 IonicContact NE-OE1 3.24Å; R358-E460 PolarHBondContact NE-OE1 3.49Å; R358-E460 IonicContact NH1-OE1 3.16Å; R358-E460 PolarHBondContact NH1-OE1 3.33Å; R358-E460 IonicContact NH1-OE2 3.6Å; R358-E460 PolarHBondContact NH1-OE2 2.88Å; R358-E460 IonicContact NH2-OE1 2.79Å; R358-E460 IonicContact NH2-OE2 3.09Å; R358-E460 PolarHBondContact NH2-OE2 2.91Å
359C94.2Very high92Very high35 Ų3558.4 Ų58.424%0.23629%0.291CS..EExtended strand (participates in β ladder)trans-84.2127.6169.7-48.40000109.7C344 E348C344-C359 WeakPolarHBondContact CA-SG 3.5Å; C344-C359 HydrophobicContact CB-CB 3.77Å; C344-C359 WeakPolarHBondContact CB-SG 3.35Å; C344-C359 VanDerWaalsContact SG-CA 3.51Å; C344-C359 WeakPolarHBondContact SG-CB 3.49Å; C344-C359 CovalentContact SG-SG 2.04Å; C344-C359 PolarHBondContact SG-SG 3.49Å; E348-C359 HydrophobicContact CB-CB 4.03Å; E348-C359 HydrophobicContact CG-CB 4.32Å; E348-C359 WeakPolarHBondContact OE2-CB 3.34Å
360Y92.5Very high92.2Very high19 Ų1960.1 Ų60.18%0.07530%0.301CS..EExtended strand (participates in β ladder)trans-117140.8173.4-69.3-70.5000110.2E348 M349 W351 R358 R362 Y397 E460 I487E348-Y360 CarbonylContact C-O 3.59Å; E348-Y360 WeakPolarHBondContact CA-O 3.38Å; M349-Y360 PolarHBondContact N-O 2.75Å; M349-Y360 PolarHBondContact O-N 3.4Å; W351-Y360 HydrophobicContact CB-CD2 3.82Å; W351-Y360 HydrophobicContact CB-CE2 3.85Å; W351-Y360 HydrophobicContact CG-CD2 4.5Å; W351-Y360 HydrophobicContact CG-CE2 4.23Å; R358-Y360 HydrophobicContact CB-CE2 4.19Å; R358-Y360 VanDerWaalsContact CD-CE1 3.5Å; R358-Y360 VanDerWaalsContact CD-CZ 3.41Å; R358-Y360 WeakPolarHBondContact CD-OH 3.46Å; R358-Y360 HydrophobicContact CG-CD1 4.4Å; R358-Y360 HydrophobicContact CG-CD2 4.37Å; R358-Y360 HydrophobicContact CG-CE1 4.05Å; R358-Y360 HydrophobicContact CG-CE2 4.03Å; Y360-R362 PolarHBondContact O-N 2.91Å; Y360-Y397 HydrophobicContact CD1-CD1 4.03Å; Y360-Y397 AromaticContact CD1-CE1 3.38Å; Y360-Y397 HydrophobicContact CD1-CE1 3.38Å; Y360-Y397 AromaticContact CD1-CZ 3.86Å; Y360-Y397 AromaticContact CD2-CD1 3.67Å; Y360-Y397 HydrophobicContact CD2-CD1 3.67Å; Y360-Y397 HydrophobicContact CD2-CD2 4.24Å; Y360-Y397 AromaticContact CD2-CE1 3.71Å; Y360-Y397 HydrophobicContact CD2-CE1 3.71Å; Y360-Y397 HydrophobicContact CD2-CE2 4.27Å; Y360-Y397 AromaticContact CD2-CG 3.96Å; Y360-Y397 HydrophobicContact CD2-CG 3.96Å; Y360-Y397 AromaticContact CE1-CD1 3.73Å; Y360-Y397 HydrophobicContact CE1-CD1 3.73Å; Y360-Y397 AromaticContact CE1-CE1 3.43Å; Y360-Y397 HydrophobicContact CE1-CE1 3.43Å; Y360-Y397 VanDerWaalsContact CE1-CE1 3.43Å; Y360-Y397 AromaticContact CE2-CD1 3.32Å; Y360-Y397 HydrophobicContact CE2-CD1 3.32Å; Y360-Y397 HydrophobicContact CE2-CD2 4.5Å; Y360-Y397 AromaticContact CE2-CE1 3.73Å; Y360-Y397 HydrophobicContact CE2-CE1 3.73Å; Y360-Y397 AromaticContact CE2-CG 3.78Å; Y360-Y397 HydrophobicContact CE2-CG 3.78Å; Y360-Y397 AromaticContact CG-CD1 3.99Å; Y360-Y397 HydrophobicContact CG-CD1 3.99Å; Y360-Y397 AromaticContact CG-CE1 3.51Å; Y360-Y397 HydrophobicContact CG-CE1 3.51Å; Y360-Y397 HydrophobicContact CG-CE2 4.25Å; Y360-Y397 AromaticContact CG-CZ 3.66Å; Y360-Y397 AromaticContact CZ-CD1 3.34Å; Y360-Y397 AromaticContact CZ-CE1 3.59Å; Y360-E460 PolarHBondContact OH-OE1 2.78Å; Y360-I487 HydrophobicContact CE2-CD1 4.3Å; Y360-I487 WeakPolarHBondContact OH-CD1 3.48Å
361P92.9Very high92.2Very high66 Ų6661 Ų6143%0.42930%0.303SS..EExtended strand (participates in β ladder)trans-56.5135.1177.1-25.534.5000112.1N363P361-N363 PolarHBondContact O-N 2.92Å
362R91.4Very high92.3Very high149 Ų14958.9 Ų58.956%0.56230%0.298SS*.SBendtrans-60.4-29.8174.2-71.6-177.1-163.8-76.7-5.2112.3E346 D347 E348 M349 Y360 P364E346-R362 PolarHBondContact O-NE 2.86Å; E346-R362 PolarHBondContact O-NH2 3.34Å; D347-R362 WeakPolarHBondContact O-CB 3.35Å; D347-R362 WeakPolarHBondContact O-CG 3.38Å; D347-R362 PolarHBondContact O-N 2.83Å; E348-R362 PolarHBondContact O-NE 3.12Å; E348-R362 PolarHBondContact O-NH2 2.81Å; M349-R362 HydrophobicContact CB-CG 4.43Å; Y360-R362 PolarHBondContact O-N 2.91Å; R362-P364 WeakPolarHBondContact O-CD 3.24Å
363N93.4Very high92.3Very high90 Ų9063.2 Ų63.248%0.48133%0.328SS..  trans-108.496.5167.8-177.110.4000110.2P361 C365 L371P361-N363 PolarHBondContact O-N 2.92Å; N363-C365 VanDerWaalsContact C-N 3.27Å; N363-C365 PolarHBondContact O-N 3Å; N363-C365 VanDerWaalsContact OD1-CB 3.23Å; N363-C365 WeakPolarHBondContact OD1-CB 3.25Å; N363-C365 PolarHBondContact OD1-N 2.88Å; N363-C365 VanDerWaalsContact OD1-N 3.11Å; N363-C365 PolarHBondContact OD1-SG 3.09Å; N363-L371 HydrophobicContact CB-CD2 4.12Å
364P93.5Very high92.2Very high30 Ų3067.3 Ų67.320%0.19535%0.348CS..  trans-83.40.8177.435-37000113.4R362 Q366 Y395R362-P364 WeakPolarHBondContact O-CD 3.24Å; P364-Q366 PolarHBondContact O-N 3.45Å; P364-Y395 HydrophobicContact CB-CD1 3.83Å; P364-Y395 HydrophobicContact CB-CD2 4Å; P364-Y395 HydrophobicContact CB-CE1 4.1Å; P364-Y395 HydrophobicContact CB-CE2 4.32Å; P364-Y395 HydrophobicContact CB-CG 3.76Å; P364-Y395 HydrophobicContact CG-CD1 4.32Å; P364-Y395 HydrophobicContact CG-CD2 3.7Å; P364-Y395 HydrophobicContact CG-CE2 4.3Å; P364-Y395 HydrophobicContact CG-CG 3.72Å; P364-Y395 VanDerWaalsContact O-CZ 3.32Å; P364-Y395 PolarHBondContact O-OH 2.04Å
365C94.5Very high92.3Very high20 Ų2070.2 Ų70.214%0.13537%0.366CS..PPolyproline II helixtrans-71.1127.4-176.7-52.80000111.2N363 C377N363-C365 VanDerWaalsContact C-N 3.27Å; N363-C365 PolarHBondContact O-N 3Å; N363-C365 VanDerWaalsContact OD1-CB 3.23Å; N363-C365 WeakPolarHBondContact OD1-CB 3.25Å; N363-C365 PolarHBondContact OD1-N 2.88Å; N363-C365 VanDerWaalsContact OD1-N 3.11Å; N363-C365 PolarHBondContact OD1-SG 3.09Å; C365-C377 WeakPolarHBondContact CA-SG 3.33Å; C365-C377 HydrophobicContact CB-CB 3.8Å; C365-C377 WeakPolarHBondContact CB-SG 3.47Å; C365-C377 WeakPolarHBondContact SG-CA 2.99Å; C365-C377 WeakPolarHBondContact SG-CB 3.45Å; C365-C377 CovalentContact SG-SG 2.03Å; C365-C377 PolarHBondContact SG-SG 3.11Å
366Q92.1Very high92.6Very high129 Ų12972.7 Ų72.760%0.60337%0.37SS*.PPolyproline II helixtrans-91.6149.7170.2-65.2175.4-15.300109.4P364 Y369P364-Q366 PolarHBondContact O-N 3.45Å; Q366-Y369 WeakPolarHBondContact O-CB 3.46Å; Q366-Y369 WeakPolarHBondContact O-CD2 3.46Å; Q366-Y369 PolarHBondContact O-N 2.91Å
367D91.3Very high92.9Very high162 Ų16272.3 Ų72.387%0.86637%0.366SS*.THydrogen-bonded Turntrans-54136.6173.1-70.2-45.9000110.7
368P93.6Very high93Very high21 Ų2172.4 Ų72.414%0.13637%0.371CS..THydrogen-bonded Turncis-9720.59.939-37.4000115P380 N383 M385 L389P368-P380 VanDerWaalsContact O-CD 3.29Å; P368-P380 WeakPolarHBondContact O-CD 2.99Å; P368-N383 WeakPolarHBondContact CB-ND2 3.37Å; P368-M385 HydrophobicContact CG-CB 4.25Å; P368-L389 HydrophobicContact CG-CD1 3.85Å
369Y94.8Very high93.1Very high23 Ų2367.9 Ų67.99%0.0935%0.354CS..  trans-79.8142.4-174.2-69.8-91.1000113.3Q366 C377 C379 L389 P390 I393Q366-Y369 WeakPolarHBondContact O-CB 3.46Å; Q366-Y369 WeakPolarHBondContact O-CD2 3.46Å; Q366-Y369 PolarHBondContact O-N 2.91Å; Y369-C377 HydrophobicContact CD1-CB 4.07Å; Y369-C377 WeakPolarHBondContact CD1-O 3.38Å; Y369-C377 HydrophobicContact CG-CB 4.14Å; Y369-C379 HydrophobicContact CD1-CB 3.88Å; Y369-C379 HydrophobicContact CE1-CB 3.56Å; Y369-L389 HydrophobicContact CE2-CD1 4.41Å; Y369-P390 VanDerWaalsContact CE1-O 3.24Å; Y369-P390 WeakPolarHBondContact CE1-O 3.29Å; Y369-P390 WeakPolarHBondContact OH-CD 3.04Å; Y369-P390 PolarHBondContact OH-O 3.38Å; Y369-I393 HydrophobicContact CD2-CD1 4.28Å; Y369-I393 HydrophobicContact CE1-CD1 4.06Å; Y369-I393 HydrophobicContact CE1-CG1 3.83Å; Y369-I393 HydrophobicContact CE2-CD1 3.6Å; Y369-I393 HydrophobicContact CE2-CG1 4.31Å; Y369-I393 VanDerWaalsContact CZ-CD1 3.47Å
370I94.5Very high93Very high108 Ų10867.7 Ų67.755%0.55435%0.353SS*.EExtended strand (participates in β ladder)trans-109.7133.4175.3-55.2-178.3000109.4V378 P380I370-V378 PolarHBondContact N-O 2.8Å; I370-V378 PolarHBondContact O-N 2.97Å; I370-P380 HydrophobicContact CD1-CG 3.61Å; I370-P380 HydrophobicContact CG1-CG 3.91Å
371L94.8Very high92.6Very high58 Ų5873.9 Ų73.930%0.30439%0.392SS..EExtended strand (participates in β ladder)trans-72.3125.7175.8-172.466.8000110.9N363 R376N363-L371 HydrophobicContact CB-CD2 4.12Å; L371-R376 CarbonylContact C-O 3.57Å; L371-R376 WeakPolarHBondContact CA-O 3.01Å
372T93.3Very high92.4Very high33 Ų3376.1 Ų76.120%0.20241%0.409CS..EExtended strand (participates in β ladder)trans-93.2161.3172.777.90000111.6E374 N375 R376 V378T372-E374 WeakPolarHBondContact CB-OE2 3.33Å; T372-E374 PolarHBondContact O-N 3.07Å; T372-E374 PolarHBondContact OG1-OE2 3.46Å; T372-N375 PolarHBondContact O-N 2.79Å; T372-R376 PolarHBondContact N-O 3.07Å; T372-R376 PolarHBondContact OG1-O 3.14Å; T372-V378 HydrophobicContact CG2-CB 3.94Å; T372-V378 HydrophobicContact CG2-CG2 3.54Å
373P92.2Very high92.3Very high122 Ų12271.8 Ų71.879%0.79240%0.397SS*.THydrogen-bonded Turntrans-56.3-23.2177.2-26.336.6000114.6N375P373-N375 PolarHBondContact O-N 3.14Å
374E88.5Confident92.1Very high131 Ų13170.8 Ų70.861%0.61240%0.402SS*.THydrogen-bonded Turntrans-82.715.2176.8-49.874.3-159.500113.3T372 R376T372-E374 WeakPolarHBondContact CB-OE2 3.33Å; T372-E374 PolarHBondContact O-N 3.07Å; T372-E374 PolarHBondContact OG1-OE2 3.46Å; E374-R376 HydrophobicContact CB-CG 4.31Å; E374-R376 PolarHBondContact O-N 3.16Å
375N89.7Confident91.9Very high108 Ų10875.9 Ų75.958%0.57842%0.424SS*.THydrogen-bonded Turntrans55.346.2-175.4-65.9-46.9000113.1T372 P373T372-N375 PolarHBondContact O-N 2.79Å; P373-N375 PolarHBondContact O-N 3.14Å
376R93.2Very high91.7Very high68 Ų6875.8 Ų75.826%0.25742%0.424SS..EExtended strand (participates in β ladder)trans-119.7136.3175.2-54.5-164.5165.8-165-4.2110.9L371 T372 E374 V378 V394 T416L371-R376 CarbonylContact C-O 3.57Å; L371-R376 WeakPolarHBondContact CA-O 3.01Å; T372-R376 PolarHBondContact N-O 3.07Å; T372-R376 PolarHBondContact OG1-O 3.14Å; E374-R376 HydrophobicContact CB-CG 4.31Å; E374-R376 PolarHBondContact O-N 3.16Å; R376-V378 HydrophobicContact CB-CG2 4.23Å; R376-V378 PolarHBondContact O-N 3.2Å; R376-V394 HydrophobicContact CB-CG2 4.41Å; R376-V394 HydrophobicContact CG-CG2 3.92Å; R376-T416 PolarHBondContact NH1-OG1 3.25Å; R376-T416 VanDerWaalsContact NH1-OG1 3.14Å; R376-T416 PolarHBondContact NH2-OG1 3.18Å
377C96Very high91.3Very high1 Ų179.5 Ų79.51%0.00743%0.432CS..EExtended strand (participates in β ladder)trans-84.7109169.3-600000107.7C365 Y369 S392 I393 Y395C365-C377 WeakPolarHBondContact CA-SG 3.33Å; C365-C377 HydrophobicContact CB-CB 3.8Å; C365-C377 WeakPolarHBondContact CB-SG 3.47Å; C365-C377 WeakPolarHBondContact SG-CA 2.99Å; C365-C377 WeakPolarHBondContact SG-CB 3.45Å; C365-C377 CovalentContact SG-SG 2.03Å; C365-C377 PolarHBondContact SG-SG 3.11Å; Y369-C377 HydrophobicContact CD1-CB 4.07Å; Y369-C377 WeakPolarHBondContact CD1-O 3.38Å; Y369-C377 HydrophobicContact CG-CB 4.14Å; C377-S392 CarbonylContact O-C 3.56Å; C377-S392 WeakPolarHBondContact O-CA 3.04Å; C377-I393 HydrophobicContact CB-CB 4.25Å; C377-I393 WeakPolarHBondContact CB-O 3.21Å; C377-I393 PolarHBondContact N-O 3.44Å; C377-I393 PolarHBondContact O-N 2.03Å; C377-Y395 HydrophobicContact CB-CE2 4.25Å; C377-Y395 WeakPolarHBondContact SG-CE2 3.44Å
378V94.8Very high91Very high48 Ų4880.4 Ų80.429%0.29143%0.431SS..EExtended strand (participates in β ladder)trans-107.6134.3-178.9174.90000110.2I370 T372 R376 P380I370-V378 PolarHBondContact N-O 2.8Å; I370-V378 PolarHBondContact O-N 2.97Å; T372-V378 HydrophobicContact CG2-CB 3.94Å; T372-V378 HydrophobicContact CG2-CG2 3.54Å; R376-V378 HydrophobicContact CB-CG2 4.23Å; R376-V378 PolarHBondContact O-N 3.2Å; V378-P380 WeakPolarHBondContact O-CD 3.47Å
379C93.8Very high90.9Very high5 Ų582.7 Ų82.73%0.03444%0.442CS..  trans-84.1118.4178.9-143.40000109.2Y369 V381 C386 Q391Y369-C379 HydrophobicContact CD1-CB 3.88Å; Y369-C379 HydrophobicContact CE1-CB 3.56Å; C379-V381 PolarHBondContact O-N 3.1Å; C379-C386 WeakPolarHBondContact CA-SG 3.37Å; C379-C386 HydrophobicContact CB-CB 3.68Å; C379-C386 WeakPolarHBondContact CB-SG 3.49Å; C379-C386 WeakPolarHBondContact SG-CA 3.01Å; C379-C386 WeakPolarHBondContact SG-CB 3.48Å; C379-C386 CovalentContact SG-SG 2.03Å; C379-C386 PolarHBondContact SG-SG 3.37Å; C379-Q391 PolarHBondContact N-O 2.04Å
380P91.7Very high90.8Very high31 Ų3182.2 Ų82.220%0.20144%0.442CS..  trans-65.2128.7-177-22.834.8000112.2P368 I370 V378 S382 N383 C386P368-P380 VanDerWaalsContact O-CD 3.29Å; P368-P380 WeakPolarHBondContact O-CD 2.99Å; I370-P380 HydrophobicContact CD1-CG 3.61Å; I370-P380 HydrophobicContact CG1-CG 3.91Å; V378-P380 WeakPolarHBondContact O-CD 3.47Å; P380-S382 PolarHBondContact O-N 3.31Å; P380-N383 HydrophobicContact CB-CB 4.5Å; P380-N383 WeakPolarHBondContact O-CB 3.36Å; P380-N383 PolarHBondContact O-N 2.96Å; P380-C386 PolarHBondContact O-SG 3.11Å; P380-C386 VanDerWaalsContact O-SG 3.41Å
381V84.9Confident90.7Very high149 Ų14981.1 Ų81.190%0.90343%0.434SS*.THydrogen-bonded Turntrans-61.2-18.7179.2-63.50000114.1C379C379-V381 PolarHBondContact O-N 3.1Å
382S87.8Confident90.6Very high113 Ų11378.8 Ų78.879%0.7942%0.423SS*.THydrogen-bonded Turntrans-76.3-19.7173.550.50000113.6P380P380-S382 PolarHBondContact O-N 3.31Å
383N89.2Confident90.7Very high57 Ų5777.9 Ų77.931%0.30542%0.417SS..  trans-87.5121.5-178.7-170.5-30.8000110.5P368 P380 M385 C386P368-N383 WeakPolarHBondContact CB-ND2 3.37Å; P380-N383 HydrophobicContact CB-CB 4.5Å; P380-N383 WeakPolarHBondContact O-CB 3.36Å; P380-N383 PolarHBondContact O-N 2.96Å; N383-M385 PolarHBondContact O-N 3.35Å; N383-M385 WeakPolarHBondContact OD1-CB 3.39Å; N383-M385 PolarHBondContact OD1-N 3.03Å; N383-C386 WeakPolarHBondContact O-CB 3.41Å; N383-C386 PolarHBondContact O-N 2.85Å
384A89.3Confident90.8Very high70 Ų7073.2 Ų73.258%0.57939%0.386SS*.G310 helixtrans-60.9-27.8-179.100000113.7C386 R387A384-C386 PolarHBondContact O-N 3.34Å; A384-R387 WeakPolarHBondContact O-CG 3.39Å
385M89.8Confident91.1Very high136 Ų13668.5 Ų68.567%0.6736%0.363SS*.G310 helixtrans-65.4-27.7174.9-68.9-177.2153.800112.6P368 N383 R387 L389P368-M385 HydrophobicContact CG-CB 4.25Å; N383-M385 PolarHBondContact O-N 3.35Å; N383-M385 WeakPolarHBondContact OD1-CB 3.39Å; N383-M385 PolarHBondContact OD1-N 3.03Å; M385-R387 PolarHBondContact O-N 3.49Å; M385-R387 VanDerWaalsContact O-N 3.13Å; M385-L389 WeakPolarHBondContact O-CD1 3Å; M385-L389 WeakPolarHBondContact O-CG 3.4Å
386C89.7Confident91.4Very high18 Ų1868 Ų6812%0.12236%0.355CS..G310 helixtrans-71.5-3.7-177.2-68.80000114.8C379 P380 N383 A384C379-C386 WeakPolarHBondContact CA-SG 3.37Å; C379-C386 HydrophobicContact CB-CB 3.68Å; C379-C386 WeakPolarHBondContact CB-SG 3.49Å; C379-C386 WeakPolarHBondContact SG-CA 3.01Å; C379-C386 WeakPolarHBondContact SG-CB 3.48Å; C379-C386 CovalentContact SG-SG 2.03Å; C379-C386 PolarHBondContact SG-SG 3.37Å; P380-C386 PolarHBondContact O-SG 3.11Å; P380-C386 VanDerWaalsContact O-SG 3.41Å; N383-C386 WeakPolarHBondContact O-CB 3.41Å; N383-C386 PolarHBondContact O-N 2.85Å; A384-C386 PolarHBondContact O-N 3.34Å
387R84.6Confident91.4Very high207 Ų20765.9 Ų65.978%0.78135%0.347SS*.G310 helixtrans-68-35.8-178.5-68179.5179.9-176.21.3113.7A384 M385A384-R387 WeakPolarHBondContact O-CG 3.39Å; M385-R387 PolarHBondContact O-N 3.49Å; M385-R387 VanDerWaalsContact O-N 3.13Å
388E84.9Confident91.2Very high182 Ų18267.3 Ų67.385%0.8535%0.354SS*.SBendtrans-105.5-0.7-178.8-60.7-60.4152.100112.7
389L91.5Very high91Very high69 Ų6967.1 Ų67.136%0.36136%0.355SS..SBendtrans-97.4154-179-65.1177.1000111.1P368 Y369 M385 Q391P368-L389 HydrophobicContact CG-CD1 3.85Å; Y369-L389 HydrophobicContact CE2-CD1 4.41Å; M385-L389 WeakPolarHBondContact O-CD1 3Å; M385-L389 WeakPolarHBondContact O-CG 3.4Å; L389-Q391 PolarHBondContact O-N 3.17Å
390P92.7Very high90.8Very high13 Ų1367.2 Ų67.28%0.08436%0.355CS..  trans-52.3135.9168.2-26.334000111.8Y369 S392 I393 S479 V481Y369-P390 VanDerWaalsContact CE1-O 3.24Å; Y369-P390 WeakPolarHBondContact CE1-O 3.29Å; Y369-P390 WeakPolarHBondContact OH-CD 3.04Å; Y369-P390 PolarHBondContact OH-O 3.38Å; P390-S392 PolarHBondContact O-N 3.04Å; P390-I393 HydrophobicContact CB-CG1 4.34Å; P390-S479 CarbonylContact C-O 3.54Å; P390-V481 HydrophobicContact CB-CB 4.45Å; P390-V481 HydrophobicContact CB-CG2 3.9Å; P390-V481 HydrophobicContact CG-CB 4.45Å; P390-V481 HydrophobicContact CG-CG2 3.6Å
391Q91.7Very high90.5Very high84 Ų8470.3 Ų70.339%0.39336%0.363SS..SBendtrans-58.9-36.8177.2-179.3-175.8-4.600111.4C379 L389 T478 S479C379-Q391 PolarHBondContact N-O 2.04Å; L389-Q391 PolarHBondContact O-N 3.17Å; Q391-T478 WeakPolarHBondContact CB-OG1 3.4Å; Q391-T478 PolarHBondContact OE1-OG1 2.97Å; Q391-S479 PolarHBondContact N-O 2.95Å
392S93.6Very high90.3Very high9 Ų964.6 Ų64.66%0.06333%0.329CS..EExtended strand (participates in β ladder)trans-140.9149.4172.771.60000112.8C377 P390 S480 V481C377-S392 CarbonylContact O-C 3.56Å; C377-S392 WeakPolarHBondContact O-CA 3.04Å; P390-S392 PolarHBondContact O-N 3.04Å; S392-S480 WeakPolarHBondContact O-CA 3.46Å; S392-S480 WeakPolarHBondContact OG-CB 3.05Å; S392-S480 PolarHBondContact OG-OG 2.93Å; S392-V481 PolarHBondContact O-N 2.79Å
393I95Very high90Very high15 Ų1562.9 Ų62.98%0.07731%0.312CS..EExtended strand (participates in β ladder)trans-121.6131.5168.1-54.3-180000108Y369 C377 P390 Y395 V481 R483Y369-I393 HydrophobicContact CD2-CD1 4.28Å; Y369-I393 HydrophobicContact CE1-CD1 4.06Å; Y369-I393 HydrophobicContact CE1-CG1 3.83Å; Y369-I393 HydrophobicContact CE2-CD1 3.6Å; Y369-I393 HydrophobicContact CE2-CG1 4.31Å; Y369-I393 VanDerWaalsContact CZ-CD1 3.47Å; C377-I393 HydrophobicContact CB-CB 4.25Å; C377-I393 WeakPolarHBondContact CB-O 3.21Å; C377-I393 PolarHBondContact N-O 3.44Å; C377-I393 PolarHBondContact O-N 2.03Å; P390-I393 HydrophobicContact CB-CG1 4.34Å; I393-Y395 HydrophobicContact CB-CE2 4.11Å; I393-Y395 HydrophobicContact CG2-CD2 3.99Å; I393-Y395 HydrophobicContact CG2-CE2 3.46Å; I393-Y395 VanDerWaalsContact CG2-CE2 3.46Å; I393-V481 CarbonylContact C-O 3.6Å; I393-V481 VanDerWaalsContact CA-O 3.24Å; I393-V481 WeakPolarHBondContact CA-O 3.49Å; I393-V481 HydrophobicContact CG1-CB 4.42Å; I393-R483 HydrophobicContact CG2-CB 4.36Å
394V94.8Very high89.9Confident23 Ų2365.1 Ų65.114%0.13932%0.316CS..EExtended strand (participates in β ladder)trans-113134.4171.1-175.60000107.9R376 K396 V481 L482 R483R376-V394 HydrophobicContact CB-CG2 4.41Å; R376-V394 HydrophobicContact CG-CG2 3.92Å; V394-K396 HydrophobicContact CG1-CG 4.46Å; V394-V481 PolarHBondContact N-O 2.98Å; V394-L482 HydrophobicContact CB-CD1 3.85Å; V394-L482 HydrophobicContact CG1-CD1 3.89Å; V394-L482 CarbonylContact O-C 3.53Å; V394-L482 WeakPolarHBondContact O-CA 3.31Å; V394-R483 PolarHBondContact O-N 3.31Å
395Y95.1Very high89.9Confident33 Ų3366.2 Ų66.213%0.12932%0.319CS..EExtended strand (participates in β ladder)trans-102.5131.6177.4-67.2-108.2000108.8P364 C377 I393 R483P364-Y395 HydrophobicContact CB-CD1 3.83Å; P364-Y395 HydrophobicContact CB-CD2 4Å; P364-Y395 HydrophobicContact CB-CE1 4.1Å; P364-Y395 HydrophobicContact CB-CE2 4.32Å; P364-Y395 HydrophobicContact CB-CG 3.76Å; P364-Y395 HydrophobicContact CG-CD1 4.32Å; P364-Y395 HydrophobicContact CG-CD2 3.7Å; P364-Y395 HydrophobicContact CG-CE2 4.3Å; P364-Y395 HydrophobicContact CG-CG 3.72Å; P364-Y395 VanDerWaalsContact O-CZ 3.32Å; P364-Y395 PolarHBondContact O-OH 2.04Å; C377-Y395 HydrophobicContact CB-CE2 4.25Å; C377-Y395 WeakPolarHBondContact SG-CE2 3.44Å; I393-Y395 HydrophobicContact CB-CE2 4.11Å; I393-Y395 HydrophobicContact CG2-CD2 3.99Å; I393-Y395 HydrophobicContact CG2-CE2 3.46Å; I393-Y395 VanDerWaalsContact CG2-CE2 3.46Å; Y395-R483 HydrophobicContact CD1-CB 4.26Å; Y395-R483 HydrophobicContact CD1-CG 4.3Å; Y395-R483 HydrophobicContact CE1-CB 4.49Å; Y395-R483 HydrophobicContact CE1-CG 4.44Å
396K94.5Very high89.9Confident97 Ų9762.6 Ų62.642%0.42231%0.305SS..EExtended strand (participates in β ladder)trans-137.2150.1173.4-70.1-63.9175.9-171.40110.3V394 F411 L482 R483 L484 T485V394-K396 HydrophobicContact CG1-CG 4.46Å; K396-F411 HydrophobicContact CB-CZ 4.32Å; K396-F411 HydrophobicContact CG-CZ 4.28Å; K396-L482 HydrophobicContact CB-CD1 4.06Å; K396-L482 HydrophobicContact CG-CD1 3.58Å; K396-R483 PolarHBondContact N-O 2.03Å; K396-L484 HydrophobicContact CB-CD1 3.94Å; K396-L484 WeakPolarHBondContact O-CA 3Å; K396-T485 PolarHBondContact O-N 3.43Å
397Y93.2Very high90.1Very high23 Ų2366.5 Ų66.59%0.0933%0.33CS..EExtended strand (participates in β ladder)trans-122.2149.3179.9-47.9-81.4000107.8M349 W351 Y360 T485M349-Y397 HydrophobicContact CE-CD2 4.16Å; M349-Y397 HydrophobicContact CE-CE2 3.91Å; W351-Y397 HydrophobicContact CD2-CD2 4.48Å; W351-Y397 HydrophobicContact CD2-CG 4.31Å; W351-Y397 AromaticContact CE3-CD2 3.89Å; W351-Y397 HydrophobicContact CE3-CD2 3.89Å; W351-Y397 HydrophobicContact CE3-CG 4.16Å; W351-Y397 VanDerWaalsContact CH2-O 3.28Å; W351-Y397 WeakPolarHBondContact CH2-O 3.31Å; W351-Y397 VanDerWaalsContact CZ2-C 3.48Å; W351-Y397 WeakPolarHBondContact CZ2-O 3.27Å; W351-Y397 HydrophobicContact CZ3-CD2 4.04Å; W351-Y397 HydrophobicContact CZ3-CG 4.47Å; Y360-Y397 HydrophobicContact CD1-CD1 4.03Å; Y360-Y397 AromaticContact CD1-CE1 3.38Å; Y360-Y397 HydrophobicContact CD1-CE1 3.38Å; Y360-Y397 AromaticContact CD1-CZ 3.86Å; Y360-Y397 AromaticContact CD2-CD1 3.67Å; Y360-Y397 HydrophobicContact CD2-CD1 3.67Å; Y360-Y397 HydrophobicContact CD2-CD2 4.24Å; Y360-Y397 AromaticContact CD2-CE1 3.71Å; Y360-Y397 HydrophobicContact CD2-CE1 3.71Å; Y360-Y397 HydrophobicContact CD2-CE2 4.27Å; Y360-Y397 AromaticContact CD2-CG 3.96Å; Y360-Y397 HydrophobicContact CD2-CG 3.96Å; Y360-Y397 AromaticContact CE1-CD1 3.73Å; Y360-Y397 HydrophobicContact CE1-CD1 3.73Å; Y360-Y397 AromaticContact CE1-CE1 3.43Å; Y360-Y397 HydrophobicContact CE1-CE1 3.43Å; Y360-Y397 VanDerWaalsContact CE1-CE1 3.43Å; Y360-Y397 AromaticContact CE2-CD1 3.32Å; Y360-Y397 HydrophobicContact CE2-CD1 3.32Å; Y360-Y397 HydrophobicContact CE2-CD2 4.5Å; Y360-Y397 AromaticContact CE2-CE1 3.73Å; Y360-Y397 HydrophobicContact CE2-CE1 3.73Å; Y360-Y397 AromaticContact CE2-CG 3.78Å; Y360-Y397 HydrophobicContact CE2-CG 3.78Å; Y360-Y397 AromaticContact CG-CD1 3.99Å; Y360-Y397 HydrophobicContact CG-CD1 3.99Å; Y360-Y397 AromaticContact CG-CE1 3.51Å; Y360-Y397 HydrophobicContact CG-CE1 3.51Å; Y360-Y397 HydrophobicContact CG-CE2 4.25Å; Y360-Y397 AromaticContact CG-CZ 3.66Å; Y360-Y397 AromaticContact CZ-CD1 3.34Å; Y360-Y397 AromaticContact CZ-CE1 3.59Å; Y397-T485 CarbonylContact C-O 3.49Å; Y397-T485 WeakPolarHBondContact CA-O 3.45Å; Y397-T485 HydrophobicContact CD1-CG2 4.4Å
398M92.7Very high90.5Very high31 Ų3157.3 Ų57.315%0.15330%0.297CS..EExtended strand (participates in β ladder)trans-155.5159.117067.2177.8-58.100109.8I400 I410 F411 L484 T485 I486 I487M398-I400 HydrophobicContact CE-CD1 3.75Å; M398-I400 HydrophobicContact CE-CG1 3.75Å; M398-I400 HydrophobicContact SD-CD1 4.38Å; M398-I410 HydrophobicContact CE-CB 4.35Å; M398-I410 WeakPolarHBondContact CE-O 3.31Å; M398-F411 HydrophobicContact SD-CB 4.32Å; M398-F411 HydrophobicContact SD-CD2 3.88Å; M398-L484 HydrophobicContact CG-CD1 4.06Å; M398-L484 HydrophobicContact SD-CD1 4.09Å; M398-L484 HydrophobicContact SD-CD2 3.96Å; M398-L484 HydrophobicContact SD-CG 4.34Å; M398-T485 PolarHBondContact N-O 2.91Å; M398-I486 HydrophobicContact CG-CB 4.29Å; M398-I486 HydrophobicContact CG-CG1 3.91Å; M398-I486 HydrophobicContact CG-CG2 4.26Å; M398-I486 WeakPolarHBondContact O-CA 3.04Å; M398-I486 HydrophobicContact SD-CD1 4.45Å; M398-I486 HydrophobicContact SD-CG1 4.02Å; M398-I487 PolarHBondContact O-N 3.48Å
399S91.1Very high91Very high44 Ų4451.7 Ų51.731%0.30827%0.273SS..EExtended strand (participates in β ladder)trans-113.7148.2172.554.50000111.3I487S399-I487 CarbonylContact C-O 3.55Å; S399-I487 VanDerWaalsContact CA-O 3.24Å; S399-I487 WeakPolarHBondContact CA-O 3.04Å
400I89Confident91.1Very high8 Ų849.4 Ų49.44%0.04126%0.261CS..EExtended strand (participates in β ladder)trans-139.1137.8176-61.2-177.3000109.2M398 R404 I410 I486 I487 V488M398-I400 HydrophobicContact CE-CD1 3.75Å; M398-I400 HydrophobicContact CE-CG1 3.75Å; M398-I400 HydrophobicContact SD-CD1 4.38Å; I400-R404 HydrophobicContact CG2-CB 3.9Å; I400-R404 HydrophobicContact CG2-CG 4.4Å; I400-I410 HydrophobicContact CD1-CB 4.09Å; I400-I410 HydrophobicContact CD1-CD1 4.04Å; I400-I410 HydrophobicContact CD1-CG2 3.84Å; I400-I486 HydrophobicContact CB-CG2 4.28Å; I400-I486 HydrophobicContact CD1-CG2 3.63Å; I400-I486 HydrophobicContact CG1-CG2 3.85Å; I400-I487 PolarHBondContact N-O 3.08Å; I400-V488 WeakPolarHBondContact O-CA 3.12Å
401R85.2Confident91.2Very high96 Ų9651.2 Ų51.236%0.36227%0.267SS..  trans-71.1140171-71.6162.444.8146.2-9.6111.5D403 R404 S492 F493R401-D403 WeakPolarHBondContact CB-OD1 3.28Å; R401-D403 IonicContact CZ-OD1 3.35Å; R401-D403 IonicContact CZ-OD2 3.79Å; R401-D403 IonicContact NE-OD1 2.66Å; R401-D403 PolarHBondContact NE-OD1 2.9Å; R401-D403 IonicContact NE-OD2 3.04Å; R401-D403 IonicContact NH2-OD1 3.68Å; R401-D403 PolarHBondContact NH2-OD1 2.95Å; R401-D403 IonicContact NH2-OD2 3.5Å; R401-D403 PolarHBondContact NH2-OD2 3.02Å; R401-D403 PolarHBondContact O-N 3.06Å; R401-D403 VanDerWaalsContact O-N 3.11Å; R401-R404 WeakPolarHBondContact O-CB 3.42Å; R401-R404 PolarHBondContact O-N 2.77Å; R401-R404 VanDerWaalsContact O-N 3.12Å; R401-S492 PolarHBondContact NE-O 3.14Å; R401-S492 PolarHBondContact NH2-O 3.27Å; R401-F493 WeakPolarHBondContact CD-OXT 3.2Å; R401-F493 PolarHBondContact NH1-OXT 2.68Å
402S81.3Confident91.4Very high28 Ų2852.4 Ų52.420%0.19627%0.273CS..THydrogen-bonded Turntrans-58.3-23.8179-69.90000114.1L455 G457 V488 G489S402-L455 WeakPolarHBondContact CA-O 3.19Å; S402-G457 PolarHBondContact OG-N 2.83Å; S402-G457 VanDerWaalsContact OG-N 3.09Å; S402-V488 VanDerWaalsContact OG-CG1 3.29Å; S402-V488 WeakPolarHBondContact OG-CG1 3.19Å; S402-G489 PolarHBondContact OG-O 3.47Å
403D81.9Confident91.4Very high78 Ų7852.8 Ų52.842%0.41727%0.274SS..THydrogen-bonded Turntrans-93.45.6-17975.6-30.7000114.7R401 S405R401-D403 WeakPolarHBondContact CB-OD1 3.28Å; R401-D403 IonicContact CZ-OD1 3.35Å; R401-D403 IonicContact CZ-OD2 3.79Å; R401-D403 IonicContact NE-OD1 2.66Å; R401-D403 PolarHBondContact NE-OD1 2.9Å; R401-D403 IonicContact NE-OD2 3.04Å; R401-D403 IonicContact NH2-OD1 3.68Å; R401-D403 PolarHBondContact NH2-OD1 2.95Å; R401-D403 IonicContact NH2-OD2 3.5Å; R401-D403 PolarHBondContact NH2-OD2 3.02Å; R401-D403 PolarHBondContact O-N 3.06Å; R401-D403 VanDerWaalsContact O-N 3.11Å; D403-S405 PolarHBondContact O-N 2.64Å
404R85.4Confident91.2Very high103 Ų10358.2 Ų58.239%0.38930%0.299SS..  trans-55.5127.8-178.6-175.2179.4-177.896.2-8.9110.6I400 R401 S408 D409I400-R404 HydrophobicContact CG2-CB 3.9Å; I400-R404 HydrophobicContact CG2-CG 4.4Å; R401-R404 WeakPolarHBondContact O-CB 3.42Å; R401-R404 PolarHBondContact O-N 2.77Å; R401-R404 VanDerWaalsContact O-N 3.12Å; R404-S408 WeakPolarHBondContact CD-OG 3.01Å; R404-S408 PolarHBondContact NE-OG 3.27Å; R404-D409 PolarHBondContact NH2-O 3.37Å
405S89.9Confident90.8Very high94 Ų9457.4 Ų57.466%0.65730%0.295SS*.  trans-58.8145.6177.653.70000112.1D403 S408D403-S405 PolarHBondContact O-N 2.64Å; S405-S408 WeakPolarHBondContact O-CB 3.26Å; S405-S408 PolarHBondContact O-OG 2.78Å
406V90.8Very high90Very high60 Ų6060.2 Ų60.236%0.36432%0.316SS..SBendtrans-126.7142.8177.3-690000110.8L451V406-L451 HydrophobicContact CG1-CB 4.36Å; V406-L451 HydrophobicContact CG1-CD2 3.78Å; V406-L451 HydrophobicContact CG1-CG 3.78Å
407P92.7Very high89Confident99 Ų9958.6 Ų58.664%0.64331%0.314SS*.SBendcis-72.4143.6-1.831.6-35.6000112.4V450 L451 V452P407-V450 HydrophobicContact CB-CG1 4.36Å; P407-L451 CarbonylContact C-O 3.58Å; P407-L451 WeakPolarHBondContact CA-O 3.36Å; P407-V452 HydrophobicContact CB-CG1 4.29Å
408S94Very high87.8Confident15 Ų1563.3 Ų63.311%0.10534%0.34CS..EExtended strand (participates in β ladder)trans-141.2138.3172.355.60000112.8R404 S405 V450 L451R404-S408 WeakPolarHBondContact CD-OG 3.01Å; R404-S408 PolarHBondContact NE-OG 3.27Å; S405-S408 WeakPolarHBondContact O-CB 3.26Å; S405-S408 PolarHBondContact O-OG 2.78Å; S408-V450 CarbonylContact O-C 3.27Å; S408-V450 WeakPolarHBondContact O-CA 3.04Å; S408-V450 WeakPolarHBondContact O-CG1 3.3Å; S408-L451 PolarHBondContact N-O 3.04Å; S408-L451 PolarHBondContact O-N 3.43Å
409D94.9Very high86.9Confident64 Ų6467 Ų6734%0.34235%0.353SS..EExtended strand (participates in β ladder)trans-67130.8170.1-69.41.7000108.4R404 R440 M448 V450R404-D409 PolarHBondContact NH2-O 3.37Å; D409-R440 VanDerWaalsContact CG-NH2 3.34Å; D409-R440 IonicContact OD1-CZ 3.28Å; D409-R440 IonicContact OD1-NH1 2.81Å; D409-R440 PolarHBondContact OD1-NH1 2.94Å; D409-R440 IonicContact OD1-NH2 2.66Å; D409-R440 PolarHBondContact OD1-NH2 3.4Å; D409-R440 IonicContact OD2-CZ 3.69Å; D409-R440 IonicContact OD2-NH1 3.51Å; D409-R440 IonicContact OD2-NH2 2.73Å; D409-R440 PolarHBondContact OD2-NH2 3.2Å; D409-M448 HydrophobicContact CB-CE 4.22Å; D409-M448 HydrophobicContact CB-CG 3.73Å; D409-M448 HydrophobicContact CB-SD 3.88Å; D409-V450 WeakPolarHBondContact OD1-CG2 3.31Å
410I94.1Very high86.1Confident21 Ų2169.3 Ų69.311%0.10837%0.374CS..EExtended strand (participates in β ladder)trans-124.8-31.2-174.156.4160.8000114.7M398 I400 F437 L449 L451 I486M398-I410 HydrophobicContact CE-CB 4.35Å; M398-I410 WeakPolarHBondContact CE-O 3.31Å; I400-I410 HydrophobicContact CD1-CB 4.09Å; I400-I410 HydrophobicContact CD1-CD1 4.04Å; I400-I410 HydrophobicContact CD1-CG2 3.84Å; I410-F437 HydrophobicContact CD1-CD1 3.82Å; I410-F437 HydrophobicContact CD1-CE1 3.69Å; I410-L449 HydrophobicContact CD1-CD2 3.7Å; I410-L449 HydrophobicContact CD1-CG 3.99Å; I410-L449 HydrophobicContact CG1-CB 4.22Å; I410-L449 HydrophobicContact CG1-CD2 4.12Å; I410-L449 HydrophobicContact CG1-CG 4.03Å; I410-L449 VanDerWaalsContact CG1-O 3.26Å; I410-L449 WeakPolarHBondContact CG1-O 3.5Å; I410-L449 PolarHBondContact N-O 3.33Å; I410-L451 HydrophobicContact CD1-CB 4.24Å; I410-L451 HydrophobicContact CG1-CB 4.42Å; I410-L451 HydrophobicContact CG2-CB 3.85Å; I410-I486 HydrophobicContact CD1-CD1 3.95Å
411F95.3Very high85.8Confident50 Ų5074.9 Ų74.922%0.21940%0.404CS..EExtended strand (participates in β ladder)trans-153.4125.1-178.9-161.7-83.3000112.3K396 M398 I413 M448 L449 L482 L484K396-F411 HydrophobicContact CB-CZ 4.32Å; K396-F411 HydrophobicContact CG-CZ 4.28Å; M398-F411 HydrophobicContact SD-CB 4.32Å; M398-F411 HydrophobicContact SD-CD2 3.88Å; F411-I413 HydrophobicContact CD1-CG2 3.83Å; F411-I413 HydrophobicContact CE1-CG2 3.95Å; F411-M448 VanDerWaalsContact C-SD 3.52Å; F411-L449 HydrophobicContact CB-CB 4.16Å; F411-L449 PolarHBondContact N-O 3.2Å; F411-L449 WeakPolarHBondContact O-CB 3.34Å; F411-L449 PolarHBondContact O-N 3.39Å; F411-L482 HydrophobicContact CD1-CD2 4.1Å; F411-L482 HydrophobicContact CE1-CD2 3.47Å; F411-L482 VanDerWaalsContact CE1-CD2 3.47Å; F411-L482 HydrophobicContact CZ-CD2 4.15Å; F411-L484 HydrophobicContact CB-CD2 3.83Å; F411-L484 HydrophobicContact CD1-CD2 4.27Å; F411-L484 HydrophobicContact CD2-CD1 3.74Å; F411-L484 HydrophobicContact CD2-CD2 3.95Å; F411-L484 HydrophobicContact CE2-CD1 3.7Å; F411-L484 HydrophobicContact CG-CD1 4.29Å; F411-L484 HydrophobicContact CG-CD2 3.74Å; F411-L484 HydrophobicContact CZ-CD1 4.24Å
412Q94.7Very high85.7Confident110 Ų11071.7 Ų71.751%0.51440%0.395SS..EExtended strand (participates in β ladder)trans-94128.5175.5-174.4172.5-20.900111M448Q412-M448 HydrophobicContact CB-CE 3.89Å; Q412-M448 HydrophobicContact CB-SD 3.98Å; Q412-M448 HydrophobicContact CG-CE 4.34Å
413I93.4Very high85.9Confident16 Ų1675.4 Ų75.48%0.08241%0.411CS..EExtended strand (participates in β ladder)trans-105.1142.8170.963.2177.6000110.6F411 F426 L439 S446 A447 L465 L482F411-I413 HydrophobicContact CD1-CG2 3.83Å; F411-I413 HydrophobicContact CE1-CG2 3.95Å; I413-F426 HydrophobicContact CD1-CB 4.21Å; I413-F426 HydrophobicContact CD1-CD1 3.51Å; I413-F426 HydrophobicContact CD1-CE1 4.2Å; I413-F426 HydrophobicContact CD1-CG 4.14Å; I413-F426 HydrophobicContact CG1-CD1 4.09Å; I413-F426 HydrophobicContact CG1-CE1 4.37Å; I413-L439 HydrophobicContact CD1-CD1 4.16Å; I413-L439 HydrophobicContact CD1-CD2 4.28Å; I413-S446 CarbonylContact O-C 3.47Å; I413-S446 WeakPolarHBondContact O-CA 3.48Å; I413-S446 VanDerWaalsContact O-CB 3.25Å; I413-S446 WeakPolarHBondContact O-CB 3.44Å; I413-A447 HydrophobicContact CD1-CB 4.14Å; I413-A447 HydrophobicContact CG1-CB 3.88Å; I413-A447 WeakPolarHBondContact CG1-O 3.32Å; I413-A447 PolarHBondContact N-O 2.94Å; I413-A447 PolarHBondContact O-N 3.44Å; I413-L465 HydrophobicContact CD1-CB 4.25Å; I413-L465 HydrophobicContact CD1-CD1 4.32Å; I413-L465 HydrophobicContact CG2-CD1 3.71Å; I413-L482 HydrophobicContact CG2-CD2 3.46Å; I413-L482 VanDerWaalsContact CG2-CD2 3.46Å
414Q91.1Very high86.3Confident130 Ų13072.2 Ų72.261%0.60739%0.394SS*.EExtended strand (participates in β ladder)trans-141.2137.5179.6-176.4174.3-1000110.9T416 V445Q414-T416 PolarHBondContact O-N 2.03Å; Q414-V445 CarbonylContact C-O 3.31Å; Q414-V445 WeakPolarHBondContact CA-O 3.42Å
415A86.9Confident86.5Confident5 Ų570.6 Ų70.64%0.04140%0.396CS..  trans-69.1120.2171.400000109.8T417 F426 V445 M467A415-T417 VanDerWaalsContact C-N 3.33Å; A415-F426 HydrophobicContact CB-CZ 4.45Å; A415-V445 HydrophobicContact CB-CB 4.18Å; A415-V445 PolarHBondContact N-O 2.94Å; A415-M467 HydrophobicContact CB-CE 4.35Å; A415-M467 HydrophobicContact CB-SD 3.5Å; A415-M467 WeakPolarHBondContact CB-SD 3.45Å
416T78.9Confident86.7Confident93 Ų9367.1 Ų67.157%0.57137%0.369SS*.SBendtrans-80.5-15.7176.252.20000113.7R376 Q414R376-T416 PolarHBondContact NH1-OG1 3.25Å; R376-T416 VanDerWaalsContact NH1-OG1 3.14Å; R376-T416 PolarHBondContact NH2-OG1 3.18Å; Q414-T416 PolarHBondContact O-N 2.03Å
417T71.7Confident86.9Confident63 Ų6369.8 Ų69.839%0.38737%0.373SS..  trans-127.1106.4-174.2-45.10000108.3A415 Y419A415-T417 VanDerWaalsContact C-N 3.33Å; T417-Y419 HydrophobicContact CG2-CD1 4.41Å; T417-Y419 HydrophobicContact CG2-CD2 4.23Å; T417-Y419 HydrophobicContact CG2-CE1 3.86Å; T417-Y419 HydrophobicContact CG2-CE2 3.66Å; T417-Y419 VanDerWaalsContact CG2-CZ 3.46Å
418I69.5Low87Confident122 Ų12267 Ų6763%0.62635%0.352SS*.  trans-96.496.3-179.4-53.7176.8000107.3V445I418-V445 HydrophobicContact CD1-CG1 4.17Å; I418-V445 HydrophobicContact CG1-CG1 4.11Å
419Y72.9Confident87.1Confident109 Ų10970.7 Ų70.743%0.42737%0.366SS..  trans-78.4126.8171.7-61.1-76.4000109.3T417 T422 T469T417-Y419 HydrophobicContact CG2-CD1 4.41Å; T417-Y419 HydrophobicContact CG2-CD2 4.23Å; T417-Y419 HydrophobicContact CG2-CE1 3.86Å; T417-Y419 HydrophobicContact CG2-CE2 3.66Å; T417-Y419 VanDerWaalsContact CG2-CZ 3.46Å; Y419-T422 VanDerWaalsContact CB-CG2 3.46Å; Y419-T422 HydrophobicContact CG-CG2 4.4Å; Y419-T422 PolarHBondContact O-N 3.35Å; Y419-T422 PolarHBondContact O-OG1 2.85Å; Y419-T469 HydrophobicContact CD2-CG2 4.32Å
420A74.5Confident87.1Confident91 Ų9170 Ų7075%0.75237%0.366SS*.THydrogen-bonded Turntrans-54.6143.6169.300000109.8T422A420-T422 VanDerWaalsContact C-N 3.31Å; A420-T422 PolarHBondContact O-N 3.48Å
421N82.1Confident87.1Confident125 Ų12570.1 Ų70.167%0.66837%0.373SS*.THydrogen-bonded Turntrans57.438.3-178.3-60.1-20.2000114.1S472N421-S472 WeakPolarHBondContact O-CB 3.27Å; N421-S472 PolarHBondContact O-N 2.9Å; N421-S472 PolarHBondContact O-OG 2.83Å
422T83.8Confident87.1Confident29 Ų2969.7 Ų69.718%0.17837%0.373CS..EExtended strand (participates in β ladder)trans-123.4153.1169.163.50000112.7Y419 A420 T469 V470 F476Y419-T422 VanDerWaalsContact CB-CG2 3.46Å; Y419-T422 HydrophobicContact CG-CG2 4.4Å; Y419-T422 PolarHBondContact O-N 3.35Å; Y419-T422 PolarHBondContact O-OG1 2.85Å; A420-T422 VanDerWaalsContact C-N 3.31Å; A420-T422 PolarHBondContact O-N 3.48Å; T422-T469 HydrophobicContact CG2-CG2 4.02Å; T422-V470 CarbonylContact C-O 3.48Å; T422-V470 VanDerWaalsContact CA-O 3.27Å; T422-V470 WeakPolarHBondContact CA-O 3.44Å; T422-V470 WeakPolarHBondContact CB-O 3.35Å; T422-F476 HydrophobicContact CG2-CZ 3.84Å
423I86Confident87Confident106 Ų10673 Ų7354%0.54439%0.388SS..EExtended strand (participates in β ladder)trans-112.3127.3174-58.5174.6000107.3T469 V470I423-T469 WeakPolarHBondContact O-CA 3.31Å; I423-V470 PolarHBondContact N-O 3.46Å; I423-V470 PolarHBondContact O-N 3.41Å
424N89Confident86.9Confident11 Ų1176.9 Ų76.96%0.05941%0.409CS..EExtended strand (participates in β ladder)trans-100.6129.1172.6-57.9-57.1000109.9F426 P444 M467 L468 T469N424-F426 HydrophobicContact CB-CE2 4.1Å; N424-F426 HydrophobicContact CB-CZ 4.22Å; N424-P444 PolarHBondContact ND2-O 2.7Å; N424-M467 HydrophobicContact CB-CG 4.28Å; N424-M467 HydrophobicContact CB-SD 4.42Å; N424-L468 CarbonylContact C-O 3.56Å; N424-L468 WeakPolarHBondContact CA-O 3.41Å; N424-T469 WeakPolarHBondContact OD1-CB 3.43Å; N424-T469 WeakPolarHBondContact OD1-CG2 3.17Å; N424-T469 PolarHBondContact OD1-OG1 3.33Å
425T90.9Very high87Confident69 Ų6972 Ų7242%0.42339%0.394SS..EExtended strand (participates in β ladder)trans-118.7121.7172.2-550000108.6L468T425-L468 PolarHBondContact N-O 2.89Å; T425-L468 PolarHBondContact O-N 2.81Å
426F93.9Very high87.3Confident22 Ų2272.6 Ų72.610%0.09640%0.396CS..EExtended strand (participates in β ladder)trans-98.3135.7178.4-58.4-85.2000110I413 A415 N424 L439 A447 E466 M467I413-F426 HydrophobicContact CD1-CB 4.21Å; I413-F426 HydrophobicContact CD1-CD1 3.51Å; I413-F426 HydrophobicContact CD1-CE1 4.2Å; I413-F426 HydrophobicContact CD1-CG 4.14Å; I413-F426 HydrophobicContact CG1-CD1 4.09Å; I413-F426 HydrophobicContact CG1-CE1 4.37Å; A415-F426 HydrophobicContact CB-CZ 4.45Å; N424-F426 HydrophobicContact CB-CE2 4.1Å; N424-F426 HydrophobicContact CB-CZ 4.22Å; F426-L439 HydrophobicContact CB-CD2 3.67Å; F426-A447 HydrophobicContact CB-CB 3.96Å; F426-A447 HydrophobicContact CD2-CB 4.12Å; F426-A447 HydrophobicContact CG-CB 3.99Å; F426-E466 CarbonylContact C-O 3.51Å; F426-E466 WeakPolarHBondContact CA-O 3.28Å; F426-M467 HydrophobicContact CD1-CB 3.87Å; F426-M467 HydrophobicContact CD1-CG 3.92Å; F426-M467 HydrophobicContact CE1-CB 3.83Å; F426-M467 HydrophobicContact CE1-CG 3.54Å; F426-M467 HydrophobicContact CE1-SD 3.63Å; F426-M467 HydrophobicContact CZ-CG 4.11Å; F426-M467 HydrophobicContact CZ-SD 3.95Å
427R94.3Very high88.1Confident115 Ų11568.4 Ų68.443%0.43437%0.37SS..EExtended strand (participates in β ladder)trans-146.2157.9175.365.1-179.2-175.7161.13.8112.1E466R427-E466 HydrophobicContact CG-CB 4.19Å; R427-E466 IonicContact CZ-OE2 2.81Å; R427-E466 PolarHBondContact N-O 2.72Å; R427-E466 IonicContact NE-OE2 2.9Å; R427-E466 PolarHBondContact NE-OE2 2.8Å; R427-E466 IonicContact NH2-OE2 3.87Å; R427-E466 PolarHBondContact NH2-OE2 2.85Å; R427-E466 PolarHBondContact O-N 2.92Å
428I96.3Very high89.2Confident40 Ų4069.9 Ų69.921%0.20537%0.369CS..EExtended strand (participates in β ladder)trans-79.8126.8164.8-52.7175.3000107.3S430 N432 F437 L439 L449 V463 L465I428-S430 WeakPolarHBondContact CG2-O 3.33Å; I428-N432 HydrophobicContact CD1-CB 4.31Å; I428-N432 WeakPolarHBondContact CD1-ND2 3.34Å; I428-N432 HydrophobicContact CG2-CB 3.8Å; I428-F437 HydrophobicContact CD1-CB 4.04Å; I428-L439 HydrophobicContact CD1-CB 4.4Å; I428-L439 HydrophobicContact CG1-CB 4.08Å; I428-L449 HydrophobicContact CD1-CD1 4.03Å; I428-L449 HydrophobicContact CG1-CD1 4.45Å; I428-V463 HydrophobicContact CG2-CG1 3.82Å; I428-L465 HydrophobicContact CB-CD2 4.38Å; I428-L465 HydrophobicContact CG1-CD2 3.81Å; I428-L465 HydrophobicContact CG2-CD2 4.37Å
429K94.8Very high90.4Very high93 Ų9365.7 Ų65.740%0.40435%0.348SS..EExtended strand (participates in β ladder)trans-95-37.5-177.2-179.7176.8-173.6156.40112.4D464 E466 V481K429-D464 HydrophobicContact CB-CB 4.03Å; K429-D464 WeakPolarHBondContact CB-O 3.34Å; K429-D464 PolarHBondContact N-O 3.39Å; K429-E466 HydrophobicContact CB-CB 4.01Å; K429-E466 HydrophobicContact CD-CB 4.23Å; K429-E466 HydrophobicContact CD-CG 4.49Å; K429-E466 IonicContact NZ-OE1 2.84Å; K429-E466 PolarHBondContact NZ-OE1 3.39Å; K429-V481 HydrophobicContact CD-CG2 3.95Å
430S96.1Very high91.4Very high50 Ų5065 Ų6535%0.3535%0.345SS..EExtended strand (participates in β ladder)trans-158.5170.5179.266.30000110.1I428 D464I428-S430 WeakPolarHBondContact CG2-O 3.33Å; S430-D464 PolarHBondContact O-N 2.98Å; S430-D464 VanDerWaalsContact OG-CB 3.26Å; S430-D464 WeakPolarHBondContact OG-CB 3.4Å; S430-D464 VanDerWaalsContact OG-CG 3.28Å; S430-D464 PolarHBondContact OG-OD2 3.12Å
431G93.5Very high92.3Very high23 Ų2365.8 Ų65.824%0.23733%0.333CS..SBendtrans83.914.7173.100000116.3I462G431-I462 VanDerWaalsContact CA-O 3.26Å; G431-I462 WeakPolarHBondContact CA-O 3.48Å
432N94.7Very high92.8Very high41 Ų4163 Ų6322%0.21932%0.32CS..  trans-131.740.9-180-173.338.9000111.4I428 N434 G435 E436 F437I428-N432 HydrophobicContact CD1-CB 4.31Å; I428-N432 WeakPolarHBondContact CD1-ND2 3.34Å; I428-N432 HydrophobicContact CG2-CB 3.8Å; N432-N434 VanDerWaalsContact C-N 3.32Å; N432-N434 PolarHBondContact O-N 3.44Å; N432-G435 PolarHBondContact O-N 3.31Å; N432-G435 WeakPolarHBondContact OD1-CA 3.39Å; N432-E436 PolarHBondContact OD1-N 2.86Å; N432-E436 VanDerWaalsContact OD1-N 3.08Å; N432-F437 HydrophobicContact CB-CD2 4.25Å; N432-F437 PolarHBondContact ND2-O 2.94Å; N432-F437 WeakPolarHBondContact OD1-CD2 3.28Å; N432-F437 PolarHBondContact OD1-N 3.36Å; N432-F437 PolarHBondContact OD1-O 3.35Å
433E92.2Very high93.1Very high180 Ų18063.4 Ų63.484%0.84132%0.324SS*.THydrogen-bonded Turntrans-68.2-31-172-67.5169.8-169.900112.5
434N91.2Very high93.2Very high97 Ų9763.3 Ų63.352%0.51933%0.33SS..THydrogen-bonded Turntrans-953.7177.5-39-72.2000112.4N432 E436 K453N432-N434 VanDerWaalsContact C-N 3.32Å; N432-N434 PolarHBondContact O-N 3.44Å; N434-E436 WeakPolarHBondContact CA-OE2 3.38Å; N434-E436 HydrophobicContact CB-CG 4.37Å; N434-E436 WeakPolarHBondContact CB-OE2 3.41Å; N434-E436 PolarHBondContact N-OE2 3.02Å; N434-E436 PolarHBondContact ND2-OE1 2.76Å; N434-K453 PolarHBondContact O-NZ 2.92Å
435G93.2Very high93.3Very high29 Ų2964.4 Ų64.430%0.29934%0.337SS..  trans64.940.5-178.500000113.3N432 F437 K453N432-G435 PolarHBondContact O-N 3.31Å; N432-G435 WeakPolarHBondContact OD1-CA 3.39Å; G435-F437 VanDerWaalsContact C-N 3.28Å; G435-K453 WeakPolarHBondContact O-CE 3.42Å
436E93.7Very high93.4Very high16 Ų1661.6 Ų61.68%0.07532%0.32CS..  trans-71.6-23.7173.2-5596.5140.100112.7N432 N434 V452 K453 L455N432-E436 PolarHBondContact OD1-N 2.86Å; N432-E436 VanDerWaalsContact OD1-N 3.08Å; N434-E436 WeakPolarHBondContact CA-OE2 3.38Å; N434-E436 HydrophobicContact CB-CG 4.37Å; N434-E436 WeakPolarHBondContact CB-OE2 3.41Å; N434-E436 PolarHBondContact N-OE2 3.02Å; N434-E436 PolarHBondContact ND2-OE1 2.76Å; E436-V452 VanDerWaalsContact O-CG2 3.24Å; E436-V452 WeakPolarHBondContact O-CG2 3.42Å; E436-V452 PolarHBondContact O-N 3.16Å; E436-K453 HydrophobicContact CB-CB 4.42Å; E436-K453 HydrophobicContact CG-CB 4.49Å; E436-K453 PolarHBondContact O-N 3.09Å; E436-L455 HydrophobicContact CB-CD2 3.82Å; E436-L455 HydrophobicContact CG-CD2 3.91Å
437F95.6Very high93.4Very high6 Ų660.5 Ų60.53%0.02632%0.316CS..EExtended strand (participates in β ladder)trans-125.6155.4-174.4-47.6-80.8000112.5I410 I428 N432 G435 L449 V450 L451 L455 H461 V463 I486I410-F437 HydrophobicContact CD1-CD1 3.82Å; I410-F437 HydrophobicContact CD1-CE1 3.69Å; I428-F437 HydrophobicContact CD1-CB 4.04Å; N432-F437 HydrophobicContact CB-CD2 4.25Å; N432-F437 PolarHBondContact ND2-O 2.94Å; N432-F437 WeakPolarHBondContact OD1-CD2 3.28Å; N432-F437 PolarHBondContact OD1-N 3.36Å; N432-F437 PolarHBondContact OD1-O 3.35Å; G435-F437 VanDerWaalsContact C-N 3.28Å; F437-L449 HydrophobicContact CB-CD1 3.84Å; F437-L449 HydrophobicContact CD1-CD1 4.46Å; F437-L449 HydrophobicContact CD1-CD2 4.24Å; F437-L449 HydrophobicContact CD1-CG 4.3Å; F437-L449 HydrophobicContact CG-CD1 4.35Å; F437-V450 CarbonylContact C-O 3.56Å; F437-V450 WeakPolarHBondContact CA-O 3.36Å; F437-L451 HydrophobicContact CD1-CD1 3.76Å; F437-L451 HydrophobicContact CE1-CD1 3.46Å; F437-L451 VanDerWaalsContact CE1-CD1 3.46Å; F437-L451 HydrophobicContact CZ-CD1 4.26Å; F437-L455 HydrophobicContact CE1-CD1 4.25Å; F437-L455 HydrophobicContact CZ-CD1 3.97Å; F437-L455 HydrophobicContact CZ-CD2 4.05Å; F437-H461 HydrophobicContact CZ-CB 4.49Å; F437-V463 HydrophobicContact CD2-CG2 4.02Å; F437-V463 HydrophobicContact CE2-CG2 3.61Å; F437-V463 HydrophobicContact CZ-CG2 4Å; F437-I486 HydrophobicContact CE1-CD1 3.64Å; F437-I486 HydrophobicContact CZ-CD1 3.73Å
438Y95.3Very high93.5Very high93 Ų9356.3 Ų56.337%0.36530%0.301SS..EExtended strand (participates in β ladder)trans-138164.815678.2-82000110.7R440 V450 V452Y438-R440 HydrophobicContact CD2-CB 4.46Å; Y438-R440 HydrophobicContact CE2-CB 3.8Å; Y438-R440 HydrophobicContact CE2-CG 4.33Å; Y438-V450 HydrophobicContact CD1-CB 3.86Å; Y438-V450 HydrophobicContact CD1-CG1 4.26Å; Y438-V450 HydrophobicContact CE1-CB 3.43Å; Y438-V450 VanDerWaalsContact CE1-CB 3.43Å; Y438-V450 HydrophobicContact CE1-CG1 3.45Å; Y438-V450 VanDerWaalsContact CE1-CG1 3.45Å; Y438-V450 HydrophobicContact CE1-CG2 4.09Å; Y438-V450 HydrophobicContact CE2-CB 4.35Å; Y438-V450 HydrophobicContact CE2-CG2 4.18Å; Y438-V450 HydrophobicContact CG-CB 4.49Å; Y438-V450 PolarHBondContact N-O 2.77Å; Y438-V450 PolarHBondContact O-N 2.04Å; Y438-V452 HydrophobicContact CD1-CG1 3.44Å; Y438-V452 VanDerWaalsContact CD1-CG1 3.44Å; Y438-V452 HydrophobicContact CE1-CG1 3.46Å; Y438-V452 VanDerWaalsContact CE1-CG1 3.46Å
439L95.1Very high93.6Very high35 Ų3554.4 Ų54.418%0.18329%0.291CS..EExtended strand (participates in β ladder)trans-112.8115.4-178.5-162.868.4000109.8I413 F426 I428 A447 L449 L465I413-L439 HydrophobicContact CD1-CD1 4.16Å; I413-L439 HydrophobicContact CD1-CD2 4.28Å; F426-L439 HydrophobicContact CB-CD2 3.67Å; I428-L439 HydrophobicContact CD1-CB 4.4Å; I428-L439 HydrophobicContact CG1-CB 4.08Å; L439-A447 HydrophobicContact CD1-CB 4.08Å; L439-A447 HydrophobicContact CD2-CB 4.36Å; L439-A447 HydrophobicContact CG-CB 3.93Å; L439-L449 HydrophobicContact CD1-CB 4.24Å; L439-L449 HydrophobicContact CD1-CD1 4.23Å; L439-L465 HydrophobicContact CD1-CD1 4.44Å; L439-L465 HydrophobicContact CD1-CD2 4.43Å
440R94.3Very high93.6Very high95 Ų9550 Ų5036%0.35827%0.272SS..EExtended strand (participates in β ladder)trans-97.7111.1178.9-166.5172.172.2-129.5-2109.1D409 Y438 T442 A447 M448 V450D409-R440 VanDerWaalsContact CG-NH2 3.34Å; D409-R440 IonicContact OD1-CZ 3.28Å; D409-R440 IonicContact OD1-NH1 2.81Å; D409-R440 PolarHBondContact OD1-NH1 2.94Å; D409-R440 IonicContact OD1-NH2 2.66Å; D409-R440 PolarHBondContact OD1-NH2 3.4Å; D409-R440 IonicContact OD2-CZ 3.69Å; D409-R440 IonicContact OD2-NH1 3.51Å; D409-R440 IonicContact OD2-NH2 2.73Å; D409-R440 PolarHBondContact OD2-NH2 3.2Å; Y438-R440 HydrophobicContact CD2-CB 4.46Å; Y438-R440 HydrophobicContact CE2-CB 3.8Å; Y438-R440 HydrophobicContact CE2-CG 4.33Å; R440-T442 PolarHBondContact O-N 3.25Å; R440-A447 CarbonylContact O-C 3.59Å; R440-A447 VanDerWaalsContact O-CA 3.32Å; R440-A447 WeakPolarHBondContact O-CA 3.08Å; R440-M448 PolarHBondContact N-O 2.88Å; R440-M448 PolarHBondContact O-N 3.4Å; R440-V450 HydrophobicContact CB-CG2 4.13Å
441Q91.4Very high93.6Very high107 Ų10747.7 Ų47.750%0.526%0.256SS..EExtended strand (participates in β ladder)trans-65.4124.7174.7-172.6162.76.700109.9S443Q441-S443 VanDerWaalsContact CG-O 3.24Å; Q441-S443 WeakPolarHBondContact CG-O 3.36Å; Q441-S443 PolarHBondContact NE2-O 2.9Å
442T93.1Very high93.6Very high67 Ų6749.3 Ų49.341%0.41126%0.261SS..EExtended strand (participates in β ladder)trans-104.5-23.2-176.850.70000112.5R440 S446 M448R440-T442 PolarHBondContact O-N 3.25Å; T442-S446 PolarHBondContact N-O 3.46Å; T442-S446 VanDerWaalsContact OG1-C 3.3Å; T442-S446 WeakPolarHBondContact OG1-CB 3.08Å; T442-S446 PolarHBondContact OG1-O 3.1Å; T442-S446 PolarHBondContact OG1-OG 3.46Å; T442-M448 HydrophobicContact CG2-CB 3.94Å
443S91.2Very high93.5Very high37 Ų3752.4 Ų52.426%0.25927%0.273SS..EExtended strand (participates in β ladder)trans-157.8175.5171.280.10000110.9Q441 V445 S446Q441-S443 VanDerWaalsContact CG-O 3.24Å; Q441-S443 WeakPolarHBondContact CG-O 3.36Å; Q441-S443 PolarHBondContact NE2-O 2.9Å; S443-V445 PolarHBondContact O-N 2.97Å; S443-V445 WeakPolarHBondContact OG-CG2 3.23Å; S443-V445 PolarHBondContact OG-N 3.21Å; S443-V445 VanDerWaalsContact OG-N 3.09Å; S443-S446 WeakPolarHBondContact CB-OG 3.28Å; S443-S446 PolarHBondContact N-O 3.25Å; S443-S446 PolarHBondContact N-OG 3.42Å; S443-S446 PolarHBondContact O-N 3.47Å; S443-S446 VanDerWaalsContact O-O 3.04Å; S443-S446 PolarHBondContact OG-N 2.69Å; S443-S446 PolarHBondContact OG-OG 3.2Å
444P88.2Confident93.3Very high103 Ų10347.7 Ų47.767%0.66926%0.26SS*.THydrogen-bonded Turntrans-59.4-12170.2-24.435.8000114.8N424N424-P444 PolarHBondContact ND2-O 2.7Å
445V89.9Confident93.2Very high34 Ų3443.4 Ų43.421%0.20624%0.237CC..THydrogen-bonded Turntrans-127.56.6-178.3-62.60000113.4Q414 A415 I418 S443Q414-V445 CarbonylContact C-O 3.31Å; Q414-V445 WeakPolarHBondContact CA-O 3.42Å; A415-V445 HydrophobicContact CB-CB 4.18Å; A415-V445 PolarHBondContact N-O 2.94Å; I418-V445 HydrophobicContact CD1-CG1 4.17Å; I418-V445 HydrophobicContact CG1-CG1 4.11Å; S443-V445 PolarHBondContact O-N 2.97Å; S443-V445 WeakPolarHBondContact OG-CG2 3.23Å; S443-V445 PolarHBondContact OG-N 3.21Å; S443-V445 VanDerWaalsContact OG-N 3.09Å
446S93.2Very high92.7Very high10 Ų1046.2 Ų46.27%0.0725%0.252CS..EExtended strand (participates in β ladder)trans-150.5153.5-17964.50000114.1I413 T442 S443I413-S446 CarbonylContact O-C 3.47Å; I413-S446 WeakPolarHBondContact O-CA 3.48Å; I413-S446 VanDerWaalsContact O-CB 3.25Å; I413-S446 WeakPolarHBondContact O-CB 3.44Å; T442-S446 PolarHBondContact N-O 3.46Å; T442-S446 VanDerWaalsContact OG1-C 3.3Å; T442-S446 WeakPolarHBondContact OG1-CB 3.08Å; T442-S446 PolarHBondContact OG1-O 3.1Å; T442-S446 PolarHBondContact OG1-OG 3.46Å; S443-S446 WeakPolarHBondContact CB-OG 3.28Å; S443-S446 PolarHBondContact N-O 3.25Å; S443-S446 PolarHBondContact N-OG 3.42Å; S443-S446 PolarHBondContact O-N 3.47Å; S443-S446 VanDerWaalsContact O-O 3.04Å; S443-S446 PolarHBondContact OG-N 2.69Å; S443-S446 PolarHBondContact OG-OG 3.2Å
447A95Very high92Very high0 Ų046.6 Ų46.60%026%0.26CS..EExtended strand (participates in β ladder)trans-142.2160.6170.700000110.9I413 F426 L439 R440I413-A447 HydrophobicContact CD1-CB 4.14Å; I413-A447 HydrophobicContact CG1-CB 3.88Å; I413-A447 WeakPolarHBondContact CG1-O 3.32Å; I413-A447 PolarHBondContact N-O 2.94Å; I413-A447 PolarHBondContact O-N 3.44Å; F426-A447 HydrophobicContact CB-CB 3.96Å; F426-A447 HydrophobicContact CD2-CB 4.12Å; F426-A447 HydrophobicContact CG-CB 3.99Å; L439-A447 HydrophobicContact CD1-CB 4.08Å; L439-A447 HydrophobicContact CD2-CB 4.36Å; L439-A447 HydrophobicContact CG-CB 3.93Å; R440-A447 CarbonylContact O-C 3.59Å; R440-A447 VanDerWaalsContact O-CA 3.32Å; R440-A447 WeakPolarHBondContact O-CA 3.08Å
448M96.4Very high91.5Very high26 Ų2651.2 Ų51.213%0.12829%0.291CS..EExtended strand (participates in β ladder)trans-113.6126176.4-17465.377.900109.3D409 F411 Q412 R440 T442 V450D409-M448 HydrophobicContact CB-CE 4.22Å; D409-M448 HydrophobicContact CB-CG 3.73Å; D409-M448 HydrophobicContact CB-SD 3.88Å; F411-M448 VanDerWaalsContact C-SD 3.52Å; Q412-M448 HydrophobicContact CB-CE 3.89Å; Q412-M448 HydrophobicContact CB-SD 3.98Å; Q412-M448 HydrophobicContact CG-CE 4.34Å; R440-M448 PolarHBondContact N-O 2.88Å; R440-M448 PolarHBondContact O-N 3.4Å; T442-M448 HydrophobicContact CG2-CB 3.94Å; M448-V450 HydrophobicContact CB-CG2 4.44Å; M448-V450 HydrophobicContact CG-CG2 4.07Å
449L96.6Very high91.2Very high0 Ų053.4 Ų53.40%030%0.298CS..EExtended strand (participates in β ladder)trans-76.6125.2165.3-172.268000108.1I410 F411 I428 F437 L439 L465 L484 I486I410-L449 HydrophobicContact CD1-CD2 3.7Å; I410-L449 HydrophobicContact CD1-CG 3.99Å; I410-L449 HydrophobicContact CG1-CB 4.22Å; I410-L449 HydrophobicContact CG1-CD2 4.12Å; I410-L449 HydrophobicContact CG1-CG 4.03Å; I410-L449 VanDerWaalsContact CG1-O 3.26Å; I410-L449 WeakPolarHBondContact CG1-O 3.5Å; I410-L449 PolarHBondContact N-O 3.33Å; F411-L449 HydrophobicContact CB-CB 4.16Å; F411-L449 PolarHBondContact N-O 3.2Å; F411-L449 WeakPolarHBondContact O-CB 3.34Å; F411-L449 PolarHBondContact O-N 3.39Å; I428-L449 HydrophobicContact CD1-CD1 4.03Å; I428-L449 HydrophobicContact CG1-CD1 4.45Å; F437-L449 HydrophobicContact CB-CD1 3.84Å; F437-L449 HydrophobicContact CD1-CD1 4.46Å; F437-L449 HydrophobicContact CD1-CD2 4.24Å; F437-L449 HydrophobicContact CD1-CG 4.3Å; F437-L449 HydrophobicContact CG-CD1 4.35Å; L439-L449 HydrophobicContact CD1-CB 4.24Å; L439-L449 HydrophobicContact CD1-CD1 4.23Å; L449-L465 HydrophobicContact CB-CD1 4.32Å; L449-L465 HydrophobicContact CD1-CD1 4.47Å; L449-L465 HydrophobicContact CD1-CD2 3.91Å; L449-L465 HydrophobicContact CD2-CD1 4.27Å; L449-L484 HydrophobicContact CD2-CD2 3.76Å; L449-I486 HydrophobicContact CD2-CD1 4.42Å
450V95.9Very high91Very high1 Ų154.3 Ų54.31%0.00630%0.301CS..EExtended strand (participates in β ladder)trans-120.4125.9-176.4-170.90000108.7P407 S408 D409 F437 Y438 R440 M448P407-V450 HydrophobicContact CB-CG1 4.36Å; S408-V450 CarbonylContact O-C 3.27Å; S408-V450 WeakPolarHBondContact O-CA 3.04Å; S408-V450 WeakPolarHBondContact O-CG1 3.3Å; D409-V450 WeakPolarHBondContact OD1-CG2 3.31Å; F437-V450 CarbonylContact C-O 3.56Å; F437-V450 WeakPolarHBondContact CA-O 3.36Å; Y438-V450 HydrophobicContact CD1-CB 3.86Å; Y438-V450 HydrophobicContact CD1-CG1 4.26Å; Y438-V450 HydrophobicContact CE1-CB 3.43Å; Y438-V450 VanDerWaalsContact CE1-CB 3.43Å; Y438-V450 HydrophobicContact CE1-CG1 3.45Å; Y438-V450 VanDerWaalsContact CE1-CG1 3.45Å; Y438-V450 HydrophobicContact CE1-CG2 4.09Å; Y438-V450 HydrophobicContact CE2-CB 4.35Å; Y438-V450 HydrophobicContact CE2-CG2 4.18Å; Y438-V450 HydrophobicContact CG-CB 4.49Å; Y438-V450 PolarHBondContact N-O 2.77Å; Y438-V450 PolarHBondContact O-N 2.04Å; R440-V450 HydrophobicContact CB-CG2 4.13Å; M448-V450 HydrophobicContact CB-CG2 4.44Å; M448-V450 HydrophobicContact CG-CG2 4.07Å
451L95.2Very high91Very high2 Ų250.5 Ų50.51%0.0129%0.288CS..EExtended strand (participates in β ladder)trans-80129.3173.5-17272.1000109.3V406 P407 S408 I410 F437 K453 L455V406-L451 HydrophobicContact CG1-CB 4.36Å; V406-L451 HydrophobicContact CG1-CD2 3.78Å; V406-L451 HydrophobicContact CG1-CG 3.78Å; P407-L451 CarbonylContact C-O 3.58Å; P407-L451 WeakPolarHBondContact CA-O 3.36Å; S408-L451 PolarHBondContact N-O 3.04Å; S408-L451 PolarHBondContact O-N 3.43Å; I410-L451 HydrophobicContact CD1-CB 4.24Å; I410-L451 HydrophobicContact CG1-CB 4.42Å; I410-L451 HydrophobicContact CG2-CB 3.85Å; F437-L451 HydrophobicContact CD1-CD1 3.76Å; F437-L451 HydrophobicContact CE1-CD1 3.46Å; F437-L451 VanDerWaalsContact CE1-CD1 3.46Å; F437-L451 HydrophobicContact CZ-CD1 4.26Å; L451-K453 VanDerWaalsContact CD1-O 3.22Å; L451-K453 WeakPolarHBondContact CD1-O 3.19Å; L451-K453 VanDerWaalsContact CG-O 3.24Å; L451-K453 WeakPolarHBondContact CG-O 3.3Å; L451-L455 HydrophobicContact CD1-CD1 4.05Å; L451-L455 HydrophobicContact CD1-CD2 3.91Å; L451-L455 HydrophobicContact CD1-CG 3.8Å
452V94.6Very high91.1Very high56 Ų5649.6 Ų49.634%0.33929%0.285SS..  trans-120.4-11.5179.4-73.40000114.1P407 E436 Y438P407-V452 HydrophobicContact CB-CG1 4.29Å; E436-V452 VanDerWaalsContact O-CG2 3.24Å; E436-V452 WeakPolarHBondContact O-CG2 3.42Å; E436-V452 PolarHBondContact O-N 3.16Å; Y438-V452 HydrophobicContact CD1-CG1 3.44Å; Y438-V452 VanDerWaalsContact CD1-CG1 3.44Å; Y438-V452 HydrophobicContact CE1-CG1 3.46Å; Y438-V452 VanDerWaalsContact CE1-CG1 3.46Å
453K91.9Very high91.3Very high106 Ų10646.4 Ų46.446%0.46127%0.266SS..SBendtrans-128.3143.5170.8-58.5-179.2-177.5179.80108.7N434 G435 E436 L451N434-K453 PolarHBondContact O-NZ 2.92Å; G435-K453 WeakPolarHBondContact O-CE 3.42Å; E436-K453 HydrophobicContact CB-CB 4.42Å; E436-K453 HydrophobicContact CG-CB 4.49Å; E436-K453 PolarHBondContact O-N 3.09Å; L451-K453 VanDerWaalsContact CD1-O 3.22Å; L451-K453 WeakPolarHBondContact CD1-O 3.19Å; L451-K453 VanDerWaalsContact CG-O 3.24Å; L451-K453 WeakPolarHBondContact CG-O 3.3Å
454S88.2Confident91.6Very high81 Ų8145.2 Ų45.257%0.56626%0.257SS*.  trans-61144.8170.644.50000110.1
455L88.4Confident92Very high8 Ų840.5 Ų40.54%0.04223%0.225CC..  trans-98.9130.8174.1-53.2178.1000108S402 E436 F437 L451 I486 V488S402-L455 WeakPolarHBondContact CA-O 3.19Å; E436-L455 HydrophobicContact CB-CD2 3.82Å; E436-L455 HydrophobicContact CG-CD2 3.91Å; F437-L455 HydrophobicContact CE1-CD1 4.25Å; F437-L455 HydrophobicContact CZ-CD1 3.97Å; F437-L455 HydrophobicContact CZ-CD2 4.05Å; L451-L455 HydrophobicContact CD1-CD1 4.05Å; L451-L455 HydrophobicContact CD1-CD2 3.91Å; L451-L455 HydrophobicContact CD1-CG 3.8Å; L455-I486 HydrophobicContact CD1-CG2 4.14Å; L455-V488 HydrophobicContact CB-CG1 4.18Å; L455-V488 HydrophobicContact CB-CG2 3.69Å; L455-V488 HydrophobicContact CD1-CG2 3.72Å; L455-V488 HydrophobicContact CG-CG2 4.36Å
456S83Confident92.2Very high88 Ų8839.2 Ų39.262%0.61522%0.217SC*.  trans-89.4114.5175.857.90000110.7
457G80.3Confident92.2Very high23 Ų2340.3 Ų40.324%0.23722%0.222CC..SBendtrans-78.2173.7168.600000113.7S402S402-G457 PolarHBondContact OG-N 2.83Å; S402-G457 VanDerWaalsContact OG-N 3.09Å
458P85.1Confident92Very high104 Ų10441.1 Ų41.168%0.67523%0.226SC*.SBendcis-76.5116.4-8.929.8-31.3000110.9V488 P490P458-V488 WeakPolarHBondContact CA-O 3.39Å; P458-P490 HydrophobicContact CB-CB 4.02Å; P458-P490 HydrophobicContact CB-CG 4.49Å; P458-P490 HydrophobicContact CG-CB 4.17Å
459R89Confident91.7Very high139 Ų13940 Ų4053%0.52522%0.221SC..EExtended strand (participates in β ladder)trans-155.4145.9-177-172.2169.9179.8-178.91.7112.2V488R459-V488 PolarHBondContact N-O 3.28Å; R459-V488 VanDerWaalsContact N-O 3.16Å; R459-V488 WeakPolarHBondContact O-CB 3.38Å; R459-V488 PolarHBondContact O-N 3.41Å
460E91Very high91.3Very high54 Ų5442.4 Ų42.425%0.25224%0.235SC..EExtended strand (participates in β ladder)trans-97.9135166.1-67.5-176.4133.400111.2R358 Y360 T485 I486 I487R358-E460 WeakPolarHBondContact CD-OE1 3.44Å; R358-E460 IonicContact CZ-OE1 3.15Å; R358-E460 IonicContact CZ-OE2 2.68Å; R358-E460 IonicContact NE-OE1 3.24Å; R358-E460 PolarHBondContact NE-OE1 3.49Å; R358-E460 IonicContact NH1-OE1 3.16Å; R358-E460 PolarHBondContact NH1-OE1 3.33Å; R358-E460 IonicContact NH1-OE2 3.6Å; R358-E460 PolarHBondContact NH1-OE2 2.88Å; R358-E460 IonicContact NH2-OE1 2.79Å; R358-E460 IonicContact NH2-OE2 3.09Å; R358-E460 PolarHBondContact NH2-OE2 2.91Å; Y360-E460 PolarHBondContact OH-OE1 2.78Å; E460-T485 HydrophobicContact CB-CG2 4.46Å; E460-I486 WeakPolarHBondContact CA-O 3.38Å; E460-I487 HydrophobicContact CG-CG1 4.19Å; E460-I487 HydrophobicContact CG-CG2 4.41Å
461H92.5Very high90.8Very high15 Ų1542.9 Ų42.97%0.06924%0.239CC..EExtended strand (participates in β ladder)trans-115.7117.4172.3-65.7-107000108.5F437 I486F437-H461 HydrophobicContact CZ-CB 4.49Å; H461-I486 HydrophobicContact CB-CB 4.34Å; H461-I486 PolarHBondContact N-O 3.4Å; H461-I486 PolarHBondContact O-N 3.4Å
462I95.2Very high89.9Confident87 Ų8746.2 Ų46.245%0.44626%0.262SS..EExtended strand (participates in β ladder)trans-100.6114.8177.6-57.3176.2000108G431 R483 L484 T485G431-I462 VanDerWaalsContact CA-O 3.26Å; G431-I462 WeakPolarHBondContact CA-O 3.48Å; I462-R483 HydrophobicContact CG2-CG 3.66Å; I462-L484 WeakPolarHBondContact CA-O 3.22Å; I462-T485 HydrophobicContact CG1-CG2 4.27Å
463V96.4Very high89Confident0 Ų049.9 Ų49.90%028%0.278CS..EExtended strand (participates in β ladder)trans-115.7119.1-178.4-170.30000109.2I428 F437 L465 L484 I486I428-V463 HydrophobicContact CG2-CG1 3.82Å; F437-V463 HydrophobicContact CD2-CG2 4.02Å; F437-V463 HydrophobicContact CE2-CG2 3.61Å; F437-V463 HydrophobicContact CZ-CG2 4Å; V463-L465 HydrophobicContact CG1-CD2 3.73Å; V463-L465 HydrophobicContact CG1-CG 4.44Å; V463-L484 PolarHBondContact N-O 3.48Å; V463-L484 PolarHBondContact O-N 2.04Å; V463-I486 HydrophobicContact CG2-CD1 4.23Å
464D97.1Very high88.1Confident13 Ų1347.5 Ų47.57%0.0728%0.284CS..EExtended strand (participates in β ladder)trans-89.1116172.6-69.3-26.6000109.7K429 S430 V481 R483K429-D464 HydrophobicContact CB-CB 4.03Å; K429-D464 WeakPolarHBondContact CB-O 3.34Å; K429-D464 PolarHBondContact N-O 3.39Å; S430-D464 PolarHBondContact O-N 2.98Å; S430-D464 VanDerWaalsContact OG-CB 3.26Å; S430-D464 WeakPolarHBondContact OG-CB 3.4Å; S430-D464 VanDerWaalsContact OG-CG 3.28Å; S430-D464 PolarHBondContact OG-OD2 3.12Å; D464-V481 HydrophobicContact CB-CG1 3.83Å; D464-R483 WeakPolarHBondContact OD1-CB 3.32Å; D464-R483 WeakPolarHBondContact OD1-CG 3.48Å; D464-R483 IonicContact OD1-CZ 3.46Å; D464-R483 IonicContact OD1-NE 2.74Å; D464-R483 PolarHBondContact OD1-NE 3.02Å; D464-R483 IonicContact OD1-NH2 3.32Å; D464-R483 PolarHBondContact OD1-NH2 2.04Å; D464-R483 IonicContact OD2-CZ 3.67Å; D464-R483 IonicContact OD2-NE 3.72Å; D464-R483 IonicContact OD2-NH2 2.77Å; D464-R483 PolarHBondContact OD2-NH2 2.81Å
465L96.5Very high87.5Confident3 Ų348.7 Ų48.72%0.01629%0.288CS..EExtended strand (participates in β ladder)trans-100.4119.1173.4-53.4-177.4000109I413 I428 L439 L449 V463 V481 L482I413-L465 HydrophobicContact CD1-CB 4.25Å; I413-L465 HydrophobicContact CD1-CD1 4.32Å; I413-L465 HydrophobicContact CG2-CD1 3.71Å; I428-L465 HydrophobicContact CB-CD2 4.38Å; I428-L465 HydrophobicContact CG1-CD2 3.81Å; I428-L465 HydrophobicContact CG2-CD2 4.37Å; L439-L465 HydrophobicContact CD1-CD1 4.44Å; L439-L465 HydrophobicContact CD1-CD2 4.43Å; L449-L465 HydrophobicContact CB-CD1 4.32Å; L449-L465 HydrophobicContact CD1-CD1 4.47Å; L449-L465 HydrophobicContact CD1-CD2 3.91Å; L449-L465 HydrophobicContact CD2-CD1 4.27Å; V463-L465 HydrophobicContact CG1-CD2 3.73Å; V463-L465 HydrophobicContact CG1-CG 4.44Å; L465-V481 CarbonylContact O-C 3.41Å; L465-V481 WeakPolarHBondContact O-CA 3.01Å; L465-L482 HydrophobicContact CB-CB 4.37Å; L465-L482 HydrophobicContact CD1-CD2 4.38Å; L465-L482 PolarHBondContact N-O 2.96Å; L465-L482 PolarHBondContact O-N 2.82Å
466E95Very high86.9Confident7 Ų752.7 Ų52.73%0.03331%0.305CS..EExtended strand (participates in β ladder)trans-106.1127.7-176.7-172.2175.6-117.100111.3F426 R427 K429 L468 S479 V481F426-E466 CarbonylContact C-O 3.51Å; F426-E466 WeakPolarHBondContact CA-O 3.28Å; R427-E466 HydrophobicContact CG-CB 4.19Å; R427-E466 IonicContact CZ-OE2 2.81Å; R427-E466 PolarHBondContact N-O 2.72Å; R427-E466 IonicContact NE-OE2 2.9Å; R427-E466 PolarHBondContact NE-OE2 2.8Å; R427-E466 IonicContact NH2-OE2 3.87Å; R427-E466 PolarHBondContact NH2-OE2 2.85Å; R427-E466 PolarHBondContact O-N 2.92Å; K429-E466 HydrophobicContact CB-CB 4.01Å; K429-E466 HydrophobicContact CD-CB 4.23Å; K429-E466 HydrophobicContact CD-CG 4.49Å; K429-E466 IonicContact NZ-OE1 2.84Å; K429-E466 PolarHBondContact NZ-OE1 3.39Å; E466-L468 HydrophobicContact CG-CD2 4.06Å; E466-L468 HydrophobicContact CG-CG 4.33Å; E466-S479 VanDerWaalsContact CG-OG 3.27Å; E466-S479 WeakPolarHBondContact CG-OG 3.2Å; E466-S479 PolarHBondContact OE1-OG 2.9Å; E466-V481 HydrophobicContact CB-CG2 4.16Å; E466-V481 HydrophobicContact CG-CG2 4.01Å
467M93.4Very high87Confident33 Ų3356.5 Ų56.516%0.16331%0.306CS..EExtended strand (participates in β ladder)trans-97.3115.4164.2-176.7-177.67300108.6A415 N424 F426 S479 S480A415-M467 HydrophobicContact CB-CE 4.35Å; A415-M467 HydrophobicContact CB-SD 3.5Å; A415-M467 WeakPolarHBondContact CB-SD 3.45Å; N424-M467 HydrophobicContact CB-CG 4.28Å; N424-M467 HydrophobicContact CB-SD 4.42Å; F426-M467 HydrophobicContact CD1-CB 3.87Å; F426-M467 HydrophobicContact CD1-CG 3.92Å; F426-M467 HydrophobicContact CE1-CB 3.83Å; F426-M467 HydrophobicContact CE1-CG 3.54Å; F426-M467 HydrophobicContact CE1-SD 3.63Å; F426-M467 HydrophobicContact CZ-CG 4.11Å; F426-M467 HydrophobicContact CZ-SD 3.95Å; M467-S479 WeakPolarHBondContact O-CA 3.01Å; M467-S480 PolarHBondContact N-O 2.82Å; M467-S480 PolarHBondContact O-N 3.14Å
468L91.2Very high87.4Confident17 Ų1756.5 Ų56.59%0.08930%0.302CS..EExtended strand (participates in β ladder)trans-93121.3167.9-63.5176.9000108.5N424 T425 E466 T478N424-L468 CarbonylContact C-O 3.56Å; N424-L468 WeakPolarHBondContact CA-O 3.41Å; T425-L468 PolarHBondContact N-O 2.89Å; T425-L468 PolarHBondContact O-N 2.81Å; E466-L468 HydrophobicContact CG-CD2 4.06Å; E466-L468 HydrophobicContact CG-CG 4.33Å; L468-T478 WeakPolarHBondContact CA-O 3.47Å
469T89.4Confident87.7Confident4 Ų452.4 Ų52.43%0.02528%0.275CS..EExtended strand (participates in β ladder)trans-109124.4174.3-570000108.9Y419 T422 I423 N424 R477 T478Y419-T469 HydrophobicContact CD2-CG2 4.32Å; T422-T469 HydrophobicContact CG2-CG2 4.02Å; I423-T469 WeakPolarHBondContact O-CA 3.31Å; N424-T469 WeakPolarHBondContact OD1-CB 3.43Å; N424-T469 WeakPolarHBondContact OD1-CG2 3.17Å; N424-T469 PolarHBondContact OD1-OG1 3.33Å; T469-R477 WeakPolarHBondContact O-CA 3.03Å; T469-T478 HydrophobicContact CG2-CG2 4.49Å; T469-T478 PolarHBondContact N-O 2.75Å; T469-T478 PolarHBondContact O-N 3.18Å
470V87.9Confident87.9Confident49 Ų4946.9 Ų46.930%0.29726%0.258SS..EExtended strand (participates in β ladder)trans-124132.6-178.2-1730000109.5T422 I423 R477T422-V470 CarbonylContact C-O 3.48Å; T422-V470 VanDerWaalsContact CA-O 3.27Å; T422-V470 WeakPolarHBondContact CA-O 3.44Å; T422-V470 WeakPolarHBondContact CB-O 3.35Å; I423-V470 PolarHBondContact N-O 3.46Å; I423-V470 PolarHBondContact O-N 3.41Å; V470-R477 HydrophobicContact CG2-CB 4.41Å; V470-R477 HydrophobicContact CG2-CG 4.14Å
471S85.2Confident88Confident12 Ų1244.6 Ų44.68%0.08425%0.248CC..EExtended strand (participates in β ladder)trans-56.8138.5168.2166.10000111I473 G474 T475 F476S471-I473 PolarHBondContact O-N 3.07Å; S471-I473 VanDerWaalsContact O-N 3.11Å; S471-I473 PolarHBondContact OG-N 3.13Å; S471-G474 WeakPolarHBondContact O-CA 3.29Å; S471-G474 PolarHBondContact O-N 3.41Å; S471-T475 WeakPolarHBondContact CB-OG1 3.33Å; S471-T475 PolarHBondContact OG-OG1 3.43Å; S471-F476 PolarHBondContact N-O 3.45Å
472S77.1Confident88.2Confident72 Ų7245.1 Ų45.150%0.50325%0.251SS..THydrogen-bonded Turntrans-62-19175.768.70000113.3N421N421-S472 WeakPolarHBondContact O-CB 3.27Å; N421-S472 PolarHBondContact O-N 2.9Å; N421-S472 PolarHBondContact O-OG 2.83Å
473I76.1Confident88.3Confident132 Ų13244.1 Ų44.168%0.67724%0.242SC*.THydrogen-bonded Turntrans-95.84.7176.2-37.7-179.5000110.6S471 T475S471-I473 PolarHBondContact O-N 3.07Å; S471-I473 VanDerWaalsContact O-N 3.11Å; S471-I473 PolarHBondContact OG-N 3.13Å; I473-T475 HydrophobicContact CB-CG2 4.1Å; I473-T475 HydrophobicContact CG2-CG2 4.16Å; I473-T475 PolarHBondContact O-N 3.07Å; I473-T475 VanDerWaalsContact O-N 3.11Å
474G73.1Confident88.3Confident57 Ų5744.1 Ų44.159%0.58824%0.242SC*.SBendtrans693-179.300000115.3S471 F476S471-G474 WeakPolarHBondContact O-CA 3.29Å; S471-G474 PolarHBondContact O-N 3.41Å; G474-F476 VanDerWaalsContact C-N 3.34Å; G474-F476 PolarHBondContact O-N 3.34Å
475T74.2Confident88.2Confident105 Ų10543.9 Ų43.964%0.64424%0.241SC*.SBendtrans-69.7-24.1-169.149.10000115.2S471 I473S471-T475 WeakPolarHBondContact CB-OG1 3.33Å; S471-T475 PolarHBondContact OG-OG1 3.43Å; I473-T475 HydrophobicContact CB-CG2 4.1Å; I473-T475 HydrophobicContact CG2-CG2 4.16Å; I473-T475 PolarHBondContact O-N 3.07Å; I473-T475 VanDerWaalsContact O-N 3.11Å
476F76.8Confident88.1Confident93 Ų9343.8 Ų43.841%0.40824%0.24SC..  trans-146.2151.3170.974.1-92000111T422 S471 G474 T478T422-F476 HydrophobicContact CG2-CZ 3.84Å; S471-F476 PolarHBondContact N-O 3.45Å; G474-F476 VanDerWaalsContact C-N 3.34Å; G474-F476 PolarHBondContact O-N 3.34Å; F476-T478 HydrophobicContact CE2-CG2 4.48Å
477R84.6Confident88Confident168 Ų16843.7 Ų43.763%0.63424%0.24SC*.EExtended strand (participates in β ladder)trans-129.8130.5170.5173.2177.6179.7-168.2-0.8107.5T469 V470T469-R477 WeakPolarHBondContact O-CA 3.03Å; V470-R477 HydrophobicContact CG2-CB 4.41Å; V470-R477 HydrophobicContact CG2-CG 4.14Å
478T87.5Confident87.8Confident22 Ų2242.2 Ų42.214%0.13523%0.233CC..EExtended strand (participates in β ladder)trans-124.7156.8169.7-177.30000110.6Q391 L468 T469 F476Q391-T478 WeakPolarHBondContact CB-OG1 3.4Å; Q391-T478 PolarHBondContact OE1-OG1 2.97Å; L468-T478 WeakPolarHBondContact CA-O 3.47Å; T469-T478 HydrophobicContact CG2-CG2 4.49Å; T469-T478 PolarHBondContact N-O 2.75Å; T469-T478 PolarHBondContact O-N 3.18Å; F476-T478 HydrophobicContact CE2-CG2 4.48Å
479S91.4Very high87.5Confident18 Ų1841.4 Ų41.413%0.12623%0.229CC..EExtended strand (participates in β ladder)trans-121.2134.8173.6167.80000108.7P390 Q391 E466 M467P390-S479 CarbonylContact C-O 3.54Å; Q391-S479 PolarHBondContact N-O 2.95Å; E466-S479 VanDerWaalsContact CG-OG 3.27Å; E466-S479 WeakPolarHBondContact CG-OG 3.2Å; E466-S479 PolarHBondContact OE1-OG 2.9Å; M467-S479 WeakPolarHBondContact O-CA 3.01Å
480S93.2Very high87Confident23 Ų2343.5 Ų43.516%0.16124%0.243CC..EExtended strand (participates in β ladder)trans-127.9133.9164.9-690000109.2S392 M467S392-S480 WeakPolarHBondContact O-CA 3.46Å; S392-S480 WeakPolarHBondContact OG-CB 3.05Å; S392-S480 PolarHBondContact OG-OG 2.93Å; M467-S480 PolarHBondContact N-O 2.82Å; M467-S480 PolarHBondContact O-N 3.14Å
481V95.1Very high86.4Confident6 Ų643.8 Ų43.84%0.03624%0.24CC..EExtended strand (participates in β ladder)trans-111.4136.5-176173.60000110.2P390 S392 I393 V394 K429 D464 L465 E466P390-V481 HydrophobicContact CB-CB 4.45Å; P390-V481 HydrophobicContact CB-CG2 3.9Å; P390-V481 HydrophobicContact CG-CB 4.45Å; P390-V481 HydrophobicContact CG-CG2 3.6Å; S392-V481 PolarHBondContact O-N 2.79Å; I393-V481 CarbonylContact C-O 3.6Å; I393-V481 VanDerWaalsContact CA-O 3.24Å; I393-V481 WeakPolarHBondContact CA-O 3.49Å; I393-V481 HydrophobicContact CG1-CB 4.42Å; V394-V481 PolarHBondContact N-O 2.98Å; K429-V481 HydrophobicContact CD-CG2 3.95Å; D464-V481 HydrophobicContact CB-CG1 3.83Å; L465-V481 CarbonylContact O-C 3.41Å; L465-V481 WeakPolarHBondContact O-CA 3.01Å; E466-V481 HydrophobicContact CB-CG2 4.16Å; E466-V481 HydrophobicContact CG-CG2 4.01Å
482L95.7Very high85.7Confident26 Ų2646 Ų4614%0.13626%0.255CS..EExtended strand (participates in β ladder)trans-102.5113.3162175.872.4000107.6V394 K396 F411 I413 L465 L484V394-L482 HydrophobicContact CB-CD1 3.85Å; V394-L482 HydrophobicContact CG1-CD1 3.89Å; V394-L482 CarbonylContact O-C 3.53Å; V394-L482 WeakPolarHBondContact O-CA 3.31Å; K396-L482 HydrophobicContact CB-CD1 4.06Å; K396-L482 HydrophobicContact CG-CD1 3.58Å; F411-L482 HydrophobicContact CD1-CD2 4.1Å; F411-L482 HydrophobicContact CE1-CD2 3.47Å; F411-L482 VanDerWaalsContact CE1-CD2 3.47Å; F411-L482 HydrophobicContact CZ-CD2 4.15Å; I413-L482 HydrophobicContact CG2-CD2 3.46Å; I413-L482 VanDerWaalsContact CG2-CD2 3.46Å; L465-L482 HydrophobicContact CB-CB 4.37Å; L465-L482 HydrophobicContact CD1-CD2 4.38Å; L465-L482 PolarHBondContact N-O 2.96Å; L465-L482 PolarHBondContact O-N 2.82Å; L482-L484 PolarHBondContact O-N 3.07Å
483R96.6Very high85.4Confident66 Ų6644 Ų4425%0.24924%0.238CC..EExtended strand (participates in β ladder)trans-86.2106169179.9157.9-71.6169.2-0.1108.3I393 V394 Y395 K396 I462 D464I393-R483 HydrophobicContact CG2-CB 4.36Å; V394-R483 PolarHBondContact O-N 3.31Å; Y395-R483 HydrophobicContact CD1-CB 4.26Å; Y395-R483 HydrophobicContact CD1-CG 4.3Å; Y395-R483 HydrophobicContact CE1-CB 4.49Å; Y395-R483 HydrophobicContact CE1-CG 4.44Å; K396-R483 PolarHBondContact N-O 2.03Å; I462-R483 HydrophobicContact CG2-CG 3.66Å; D464-R483 WeakPolarHBondContact OD1-CB 3.32Å; D464-R483 WeakPolarHBondContact OD1-CG 3.48Å; D464-R483 IonicContact OD1-CZ 3.46Å; D464-R483 IonicContact OD1-NE 2.74Å; D464-R483 PolarHBondContact OD1-NE 3.02Å; D464-R483 IonicContact OD1-NH2 3.32Å; D464-R483 PolarHBondContact OD1-NH2 2.04Å; D464-R483 IonicContact OD2-CZ 3.67Å; D464-R483 IonicContact OD2-NE 3.72Å; D464-R483 IonicContact OD2-NH2 2.77Å; D464-R483 PolarHBondContact OD2-NH2 2.81Å
484L96.6Very high85.9Confident0 Ų039.7 Ų39.70%022%0.216CC..EExtended strand (participates in β ladder)trans-100.4115.5178.8-178.864.8000109.5K396 M398 F411 L449 I462 V463 L482 I486K396-L484 HydrophobicContact CB-CD1 3.94Å; K396-L484 WeakPolarHBondContact O-CA 3Å; M398-L484 HydrophobicContact CG-CD1 4.06Å; M398-L484 HydrophobicContact SD-CD1 4.09Å; M398-L484 HydrophobicContact SD-CD2 3.96Å; M398-L484 HydrophobicContact SD-CG 4.34Å; F411-L484 HydrophobicContact CB-CD2 3.83Å; F411-L484 HydrophobicContact CD1-CD2 4.27Å; F411-L484 HydrophobicContact CD2-CD1 3.74Å; F411-L484 HydrophobicContact CD2-CD2 3.95Å; F411-L484 HydrophobicContact CE2-CD1 3.7Å; F411-L484 HydrophobicContact CG-CD1 4.29Å; F411-L484 HydrophobicContact CG-CD2 3.74Å; F411-L484 HydrophobicContact CZ-CD1 4.24Å; L449-L484 HydrophobicContact CD2-CD2 3.76Å; I462-L484 WeakPolarHBondContact CA-O 3.22Å; V463-L484 PolarHBondContact N-O 3.48Å; V463-L484 PolarHBondContact O-N 2.04Å; L482-L484 PolarHBondContact O-N 3.07Å; L484-I486 HydrophobicContact CD2-CD1 4.16Å; L484-I486 HydrophobicContact CD2-CG1 4.11Å; L484-I486 HydrophobicContact CG-CG1 3.97Å
485T95.3Very high86.5Confident9 Ų938.7 Ų38.76%0.05520%0.196CC..EExtended strand (participates in β ladder)trans-94.6117171.1-55.80000109.2K396 Y397 M398 E460 I462 I487K396-T485 PolarHBondContact O-N 3.43Å; Y397-T485 CarbonylContact C-O 3.49Å; Y397-T485 WeakPolarHBondContact CA-O 3.45Å; Y397-T485 HydrophobicContact CD1-CG2 4.4Å; M398-T485 PolarHBondContact N-O 2.91Å; E460-T485 HydrophobicContact CB-CG2 4.46Å; I462-T485 HydrophobicContact CG1-CG2 4.27Å; T485-I487 HydrophobicContact CG2-CG1 4.5Å
486I94Very high87.2Confident0 Ų035.1 Ų35.10%017%0.171CC..EExtended strand (participates in β ladder)trans-104.2112.7178.6-53.5175.4000107.6M398 I400 I410 F437 L449 L455 E460 H461 V463 L484 V488M398-I486 HydrophobicContact CG-CB 4.29Å; M398-I486 HydrophobicContact CG-CG1 3.91Å; M398-I486 HydrophobicContact CG-CG2 4.26Å; M398-I486 WeakPolarHBondContact O-CA 3.04Å; M398-I486 HydrophobicContact SD-CD1 4.45Å; M398-I486 HydrophobicContact SD-CG1 4.02Å; I400-I486 HydrophobicContact CB-CG2 4.28Å; I400-I486 HydrophobicContact CD1-CG2 3.63Å; I400-I486 HydrophobicContact CG1-CG2 3.85Å; I410-I486 HydrophobicContact CD1-CD1 3.95Å; F437-I486 HydrophobicContact CE1-CD1 3.64Å; F437-I486 HydrophobicContact CZ-CD1 3.73Å; L449-I486 HydrophobicContact CD2-CD1 4.42Å; L455-I486 HydrophobicContact CD1-CG2 4.14Å; E460-I486 WeakPolarHBondContact CA-O 3.38Å; H461-I486 HydrophobicContact CB-CB 4.34Å; H461-I486 PolarHBondContact N-O 3.4Å; H461-I486 PolarHBondContact O-N 3.4Å; V463-I486 HydrophobicContact CG2-CD1 4.23Å; L484-I486 HydrophobicContact CD2-CD1 4.16Å; L484-I486 HydrophobicContact CD2-CG1 4.11Å; L484-I486 HydrophobicContact CG-CG1 3.97Å; I486-V488 HydrophobicContact CG2-CG2 4.39Å
487I92.7Very high87.8Confident5 Ų531.6 Ų31.63%0.02616%0.157CC..EExtended strand (participates in β ladder)trans-92.8124.6177-50.5155.7000108.7Y353 Y360 M398 S399 I400 E460 T485Y353-I487 HydrophobicContact CD1-CB 4.39Å; Y353-I487 HydrophobicContact CD1-CD1 3.73Å; Y353-I487 HydrophobicContact CD1-CG2 3.7Å; Y353-I487 HydrophobicContact CD2-CG2 3.66Å; Y353-I487 HydrophobicContact CE1-CD1 4.44Å; Y353-I487 HydrophobicContact CE1-CG2 3.98Å; Y353-I487 HydrophobicContact CE2-CG2 4Å; Y353-I487 HydrophobicContact CG-CB 4.22Å; Y353-I487 HydrophobicContact CG-CD1 4.24Å; Y353-I487 HydrophobicContact CG-CG2 3.52Å; Y360-I487 HydrophobicContact CE2-CD1 4.3Å; Y360-I487 WeakPolarHBondContact OH-CD1 3.48Å; M398-I487 PolarHBondContact O-N 3.48Å; S399-I487 CarbonylContact C-O 3.55Å; S399-I487 VanDerWaalsContact CA-O 3.24Å; S399-I487 WeakPolarHBondContact CA-O 3.04Å; I400-I487 PolarHBondContact N-O 3.08Å; E460-I487 HydrophobicContact CG-CG1 4.19Å; E460-I487 HydrophobicContact CG-CG2 4.41Å; T485-I487 HydrophobicContact CG2-CG1 4.5Å
488V90Very high88Confident2 Ų223.1 Ų23.11%0.01213%0.128CC..EExtended strand (participates in β ladder)trans-108.7118.2179.7-171.30000108.7I400 S402 L455 P458 R459 I486I400-V488 WeakPolarHBondContact O-CA 3.12Å; S402-V488 VanDerWaalsContact OG-CG1 3.29Å; S402-V488 WeakPolarHBondContact OG-CG1 3.19Å; L455-V488 HydrophobicContact CB-CG1 4.18Å; L455-V488 HydrophobicContact CB-CG2 3.69Å; L455-V488 HydrophobicContact CD1-CG2 3.72Å; L455-V488 HydrophobicContact CG-CG2 4.36Å; P458-V488 WeakPolarHBondContact CA-O 3.39Å; R459-V488 PolarHBondContact N-O 3.28Å; R459-V488 VanDerWaalsContact N-O 3.16Å; R459-V488 WeakPolarHBondContact O-CB 3.38Å; R459-V488 PolarHBondContact O-N 3.41Å; I486-V488 HydrophobicContact CG2-CG2 4.39Å
489G83.9Confident88.1Confident1 Ų123.2 Ų23.21%0.0113%0.127CC..  trans-68.9152.9-178.400000113.3H354 S402 F491H354-G489 WeakPolarHBondContact O-CA 3.36Å; S402-G489 PolarHBondContact OG-O 3.47Å; G489-F491 VanDerWaalsContact C-N 3.26Å; G489-F491 PolarHBondContact O-N 3.49Å
490P79.3Confident87.8Confident48 Ų4823.6 Ų23.631%0.31213%0.127SC..SBendtrans-66-26.4179.824.6-30.7000113.3H354 P458H354-P490 WeakPolarHBondContact O-CD 3.29Å; P458-P490 HydrophobicContact CB-CB 4.02Å; P458-P490 HydrophobicContact CB-CG 4.49Å; P458-P490 HydrophobicContact CG-CB 4.17Å
491F76.9Confident87.4Confident54 Ų5423.6 Ų23.624%0.23713%0.125CC..SBendtrans-114.9163-179.4-56.8-76.5000112.5Y307 P321 Y324 G489 F493Y307-F491 HydrophobicContact CD2-CE1 4.33Å; Y307-F491 HydrophobicContact CE2-CD1 4.19Å; Y307-F491 AromaticContact CE2-CE1 3.6Å; Y307-F491 HydrophobicContact CE2-CE1 3.6Å; Y307-F491 HydrophobicContact CE2-CZ 4.24Å; P321-F491 HydrophobicContact CB-CD2 4.1Å; P321-F491 HydrophobicContact CB-CE1 4.31Å; P321-F491 HydrophobicContact CB-CE2 3.35Å; P321-F491 HydrophobicContact CB-CZ 3.47Å; P321-F491 VanDerWaalsContact CB-CZ 3.47Å; P321-F491 HydrophobicContact CG-CD1 4.33Å; P321-F491 HydrophobicContact CG-CD2 3.51Å; P321-F491 HydrophobicContact CG-CE1 4.15Å; P321-F491 HydrophobicContact CG-CE2 3.3Å; P321-F491 HydrophobicContact CG-CG 4.04Å; P321-F491 HydrophobicContact CG-CZ 3.65Å; Y324-F491 HydrophobicContact CD2-CD2 4.36Å; Y324-F491 HydrophobicContact CE2-CB 4.44Å; Y324-F491 AromaticContact CE2-CD2 3.67Å; Y324-F491 HydrophobicContact CE2-CD2 3.67Å; Y324-F491 HydrophobicContact CE2-CE2 4.48Å; Y324-F491 HydrophobicContact CE2-CG 4.48Å; G489-F491 VanDerWaalsContact C-N 3.26Å; G489-F491 PolarHBondContact O-N 3.49Å; F491-F493 HydrophobicContact CB-CD1 4.04Å; F491-F493 HydrophobicContact CB-CD2 4.48Å; F491-F493 HydrophobicContact CB-CE1 3.64Å; F491-F493 HydrophobicContact CB-CE2 4.1Å; F491-F493 HydrophobicContact CB-CG 4.45Å; F491-F493 HydrophobicContact CB-CZ 3.67Å; F491-F493 HydrophobicContact CD1-CE1 4.27Å; F491-F493 HydrophobicContact CD1-CZ 4.29Å; F491-F493 HydrophobicContact CD2-CZ 4.41Å; F491-F493 HydrophobicContact CG-CE1 4.08Å; F491-F493 AromaticContact CG-CZ 3.86Å; F491-F493 HydrophobicContact CG-CZ 3.86Å
492S69.3Low86.8Confident58 Ų5825.1 Ų25.141%0.40613%0.132SC..  trans-916.6-174.150.50000114.4R401R401-S492 PolarHBondContact NE-O 3.14Å; R401-S492 PolarHBondContact NH2-O 3.27Å
493F71Confident86Confident32 Ų3225 Ų2514%0.1413%0.132CC..  trans-106.40-175.438-94.6000113.8Q306 Y307 P321 Y324 C332 H354 R401 F491Q306-F493 HydrophobicContact CG-CD1 4.43Å; Y307-F493 HydrophobicContact CD2-CE1 4.5Å; Y307-F493 HydrophobicContact CD2-CZ 4.49Å; P321-F493 HydrophobicContact CG-CE2 4.24Å; P321-F493 HydrophobicContact CG-CZ 3.78Å; Y324-F493 AromaticContact CD1-CD2 3.53Å; Y324-F493 HydrophobicContact CD1-CD2 3.53Å; Y324-F493 AromaticContact CD1-CE2 3.34Å; Y324-F493 HydrophobicContact CD1-CE2 3.34Å; Y324-F493 HydrophobicContact CD2-CE2 4.02Å; Y324-F493 AromaticContact CE1-CD2 3.3Å; Y324-F493 HydrophobicContact CE1-CD2 3.3Å; Y324-F493 AromaticContact CE1-CE2 3.4Å; Y324-F493 HydrophobicContact CE1-CE2 3.4Å; Y324-F493 HydrophobicContact CE1-CG 4.47Å; Y324-F493 HydrophobicContact CE2-CE2 4.06Å; Y324-F493 HydrophobicContact CG-CD2 4.31Å; Y324-F493 AromaticContact CG-CE2 3.66Å; Y324-F493 HydrophobicContact CG-CE2 3.66Å; Y324-F493 AromaticContact CZ-CD2 3.93Å; Y324-F493 AromaticContact CZ-CE2 3.74Å; C332-F493 HydrophobicContact CB-CD2 3.7Å; C332-F493 HydrophobicContact CB-CE2 3.37Å; C332-F493 HydrophobicContact CB-CZ 3.97Å; H354-F493 PolarHBondContact ND1-O 3.44Å; R401-F493 WeakPolarHBondContact CD-OXT 3.2Å; R401-F493 PolarHBondContact NH1-OXT 2.68Å; F491-F493 HydrophobicContact CB-CD1 4.04Å; F491-F493 HydrophobicContact CB-CD2 4.48Å; F491-F493 HydrophobicContact CB-CE1 3.64Å; F491-F493 HydrophobicContact CB-CE2 4.1Å; F491-F493 HydrophobicContact CB-CG 4.45Å; F491-F493 HydrophobicContact CB-CZ 3.67Å; F491-F493 HydrophobicContact CD1-CE1 4.27Å; F491-F493 HydrophobicContact CD1-CZ 4.29Å; F491-F493 HydrophobicContact CD2-CZ 4.41Å; F491-F493 HydrophobicContact CG-CE1 4.08Å; F491-F493 AromaticContact CG-CZ 3.86Å; F491-F493 HydrophobicContact CG-CZ 3.86Å

Retrieved 493 of 493 residues in 142.6 ms (Link to these results)