A0A087XXV4_POEFO Loading...

Family with sequence similarity 78 member Ab

AlphaFold DB , UniProt , Accession A0A087XXV4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 296 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
1M31.1Very low34.9Very low241 Ų241158.8 Ų158.8100%1.18786%0.862SS**  0111.50-159.4174.9109.400105.6
2V29.7Very low35.1Very low115 Ų115155.5 Ų155.570%0.69786%0.86SS**  cis-162.9130.519.41370000106.7
3I31.6Very low35.2Very low154 Ų154152.5 Ų152.579%0.7986%0.857SS**  trans57.9117.7135-51.2178000120.5
4L35Very low36Very low157 Ų157149.5 Ų149.582%0.82285%0.85SS**  trans-68.2158.1158.2-82.9156.3000111.6
5P40.2Very low37.1Very low129 Ų129147.2 Ų147.284%0.83884%0.844SS**  -148.8172.29932.5-11.5000116.6
6A37.5Very low38.1Very low92 Ų92145 Ų14576%0.7684%0.836SS**  trans-72.4155.1-167.200000117.1
7V35.2Very low39.1Very low144 Ų144143.4 Ų143.487%0.87383%0.832SS**  trans-147.5118.5150.9-178.50000112.1
8S33Very low39.8Very low115 Ų115139.8 Ų139.880%0.80481%0.814SS**  trans23.3141142.3-146.20000125.3
9M38.3Very low40.9Very low178 Ų178136.1 Ų136.188%0.87780%0.797SS**  trans-58.1153167.9-72.9173.1158.800115.8
10R32.8Very low41.6Very low253 Ų253134.9 Ų134.996%0.95579%0.793SS**  -167.3139.6126.4-103.4173.3-159-152.95.4112.5
11L39.8Very low42.3Very low169 Ų169135.6 Ų135.689%0.88579%0.789SS**  trans-84.3157.3170-93.5145.9000111.5
12S36.9Very low43.2Very low119 Ų119128.8 Ų128.883%0.83276%0.757SS**  trans88.8120.9159.486.10000119.3
13S36.8Very low44.1Very low117 Ų117130.5 Ų130.582%0.81875%0.751SS**  -163128.5128.657.40000109.5
14S46.2Very low45.2Very low110 Ų110125.7 Ų125.777%0.76973%0.734SS**PPolyproline II helixtrans-55.515417529.30000113.6
15P51.9Low46Very low115 Ų115123.3 Ų123.375%0.74772%0.722SS**PPolyproline II helixtrans-67.4152.7173.828.4-32000111.1
16P54.5Low46.4Very low112 Ų112121.4 Ų121.473%0.72770%0.704SS**PPolyproline II helixtrans-68152.5-175.229.5-34.2000111.3
17P54.7Low46.8Very low117 Ų117124.8 Ų124.876%0.7670%0.697SS**PPolyproline II helixtrans-65.7143.517427.6-32.2000110.3
18P52.2Low47.6Very low80 Ų80122.3 Ų122.352%0.51968%0.678SS.*PPolyproline II helixtrans-65147.5176.325.9-32000111.2L22P18-L22 HydrophobicContact CB-CD2 4.41Å
19S59.4Low48.4Very low68 Ų68121.2 Ų121.248%0.47667%0.666SS.*PPolyproline II helixtrans-57.7149-17857.90000112.8E21 L22S19-E21 PolarHBondContact O-N 3.2Å; S19-L22 PolarHBondContact O-N 3.02Å
20P55.3Low48.6Very low113 Ų113118.1 Ų118.173%0.73465%0.653SS**Hα-helixtrans-59.2-17-178.8-0.7-2000114.9
21E57Low48.9Very low150 Ų150112.3 Ų112.370%0.70164%0.636SS**Hα-helixtrans-75.6-26.3-179.4-63.9-175.7161.200113.5S19 A24 L25S19-E21 PolarHBondContact O-N 3.2Å; E21-A24 PolarHBondContact O-N 3.48Å; E21-L25 PolarHBondContact O-N 3.29Å
22L50.2Low48.9Very low97 Ų97112.5 Ų112.551%0.50863%0.63SS.*Hα-helixtrans-74.3-31.6179.4-155.277.7000111.8P18 S19 L26P18-L22 HydrophobicContact CB-CD2 4.41Å; S19-L22 PolarHBondContact O-N 3.02Å; L22-L26 PolarHBondContact O-N 3.12Å; L22-L26 VanDerWaalsContact O-N 3.12Å
23W48.8Very low49.2Very low152 Ų152111.4 Ų111.458%0.57662%0.622SS**Hα-helixtrans-72.9-34.7174.6-75101.1000112.4L26 W27W23-L26 PolarHBondContact O-N 2.96Å; W23-W27 VanDerWaalsContact O-CD1 3.29Å; W23-W27 PolarHBondContact O-N 3.36Å
24A53.9Low49.6Very low52 Ų52109.8 Ų109.843%0.4362%0.616SS.*Hα-helixtrans-64.7-41.3174.900000111.8E21 W27 I28E21-A24 PolarHBondContact O-N 3.48Å; A24-W27 PolarHBondContact O-N 2.97Å; A24-I28 WeakPolarHBondContact O-CD1 3.35Å; A24-I28 VanDerWaalsContact O-CG1 3.24Å; A24-I28 WeakPolarHBondContact O-CG1 3.47Å; A24-I28 PolarHBondContact O-N 3.03Å
25L51.5Low49.4Very low108 Ų108111.4 Ų111.457%0.56561%0.614SS**Hα-helixtrans-68-38.7175.6-84.3156.1000112.8E21 I28 V29E21-L25 PolarHBondContact O-N 3.29Å; L25-I28 PolarHBondContact O-N 3.46Å; L25-V29 WeakPolarHBondContact O-CG2 3.34Å; L25-V29 PolarHBondContact O-N 3.43Å
26L48.8Very low48.7Very low89 Ų89109.3 Ų109.347%0.46661%0.613SS.*Hα-helixtrans-66.5-37.4174.8-103.3142.8000112.6L22 W23 V29 L30L22-L26 PolarHBondContact O-N 3.12Å; L22-L26 VanDerWaalsContact O-N 3.12Å; W23-L26 PolarHBondContact O-N 2.96Å; L26-V29 PolarHBondContact O-N 2.92Å; L26-L30 HydrophobicContact CD2-CD1 4.21Å; L26-L30 WeakPolarHBondContact O-CB 3.46Å; L26-L30 PolarHBondContact O-N 3.48Å
27W45.2Very low48Very low163 Ų163107.8 Ų107.862%0.61760%0.604SS**Hα-helixtrans-68.4-36.2173.1-90.694.1000112.9W23 A24 Q31W23-W27 VanDerWaalsContact O-CD1 3.29Å; W23-W27 PolarHBondContact O-N 3.36Å; A24-W27 PolarHBondContact O-N 2.97Å; W27-Q31 HydrophobicContact CE3-CG 4.39Å; W27-Q31 WeakPolarHBondContact O-CB 3.24Å; W27-Q31 WeakPolarHBondContact O-CG 3.18Å; W27-Q31 PolarHBondContact O-N 2.94Å
28I52Low47.8Very low92 Ų92109.7 Ų109.747%0.47261%0.606SS.*Hα-helixtrans-64.3-47.6173.6-70.1165.6000109.8A24 L25 L30 Q31 F32A24-I28 WeakPolarHBondContact O-CD1 3.35Å; A24-I28 VanDerWaalsContact O-CG1 3.24Å; A24-I28 WeakPolarHBondContact O-CG1 3.47Å; A24-I28 PolarHBondContact O-N 3.03Å; L25-I28 PolarHBondContact O-N 3.46Å; I28-L30 PolarHBondContact O-N 3.3Å; I28-Q31 PolarHBondContact O-N 3.44Å; I28-F32 HydrophobicContact CG2-CD2 3.7Å; I28-F32 HydrophobicContact CG2-CE2 3.81Å; I28-F32 WeakPolarHBondContact O-CD2 3.34Å; I28-F32 PolarHBondContact O-N 2.89Å
29V49.6Very low47.3Very low92 Ų92114 Ų11456%0.55862%0.619SS**Hα-helixtrans-67.3-34.4179.7176.40000112.6L25 L26 S33L25-V29 WeakPolarHBondContact O-CG2 3.34Å; L25-V29 PolarHBondContact O-N 3.43Å; L26-V29 PolarHBondContact O-N 2.92Å; V29-S33 WeakPolarHBondContact O-CB 3.36Å; V29-S33 PolarHBondContact O-N 3.19Å; V29-S33 PolarHBondContact O-OG 2.8Å
30L42.8Very low46.5Very low113 Ų113114.5 Ų114.559%0.59262%0.623SS**Hα-helixtrans-72.9-34.6173.8-96.3139000113.2L26 I28 S33 A34L26-L30 HydrophobicContact CD2-CD1 4.21Å; L26-L30 WeakPolarHBondContact O-CB 3.46Å; L26-L30 PolarHBondContact O-N 3.48Å; I28-L30 PolarHBondContact O-N 3.3Å; L30-S33 PolarHBondContact O-N 3.45Å; L30-A34 PolarHBondContact O-N 3.35Å
31Q40Very low45.8Very low130 Ų130116.2 Ų116.261%0.60763%0.625SS**Hα-helixtrans-72.5-30.1173-73.9-158.9-2.100112.7W27 I28 S33W27-Q31 HydrophobicContact CE3-CG 4.39Å; W27-Q31 WeakPolarHBondContact O-CB 3.24Å; W27-Q31 WeakPolarHBondContact O-CG 3.18Å; W27-Q31 PolarHBondContact O-N 2.94Å; I28-Q31 PolarHBondContact O-N 3.44Å; Q31-S33 VanDerWaalsContact C-N 3.3Å; Q31-S33 PolarHBondContact O-N 3.49Å
32F39.9Very low45.1Very low173 Ų173118 Ų11876%0.75963%0.63SS**Hα-helixtrans-77.6-10.7172.2-82.4-72.2000114.2I28I28-F32 HydrophobicContact CG2-CD2 3.7Å; I28-F32 HydrophobicContact CG2-CE2 3.81Å; I28-F32 WeakPolarHBondContact O-CD2 3.34Å; I28-F32 PolarHBondContact O-N 2.89Å
33S43.7Very low44.9Very low96 Ų96118.4 Ų118.467%0.67164%0.64SS**THydrogen-bonded Turntrans-101.5-1.6177.4-55.50000114V29 L30 Q31V29-S33 WeakPolarHBondContact O-CB 3.36Å; V29-S33 PolarHBondContact O-N 3.19Å; V29-S33 PolarHBondContact O-OG 2.8Å; L30-S33 PolarHBondContact O-N 3.45Å; Q31-S33 VanDerWaalsContact C-N 3.3Å; Q31-S33 PolarHBondContact O-N 3.49Å
34A44.8Very low44.7Very low83 Ų83119.9 Ų119.969%0.68665%0.65SS**SBendtrans-110.418.2177.800000113.6L30L30-A34 PolarHBondContact O-N 3.35Å
35M40.7Very low44.8Very low145 Ų145123.2 Ų123.271%0.71467%0.668SS**  trans-117.160165.6-69.1-171.56800109.5C37M35-C37 PolarHBondContact O-N 2.78Å
36G37.8Very low45.1Very low71 Ų71126 Ų12673%0.73268%0.675SS**  trans-62.769.6147.100000108.7I38G36-I38 PolarHBondContact O-N 2.71Å
37C39.7Very low46.1Very low80 Ų80123.9 Ų123.954%0.54167%0.668SS.*  trans-65.590.5158.1-74.10000105M35 Q39M35-C37 PolarHBondContact O-N 2.78Å; C37-Q39 HydrophobicContact CB-CG 4.02Å; C37-Q39 PolarHBondContact O-N 2.82Å
38I50.4Low47.5Very low157 Ų157117.3 Ų117.381%0.80564%0.644SS**  trans-56.478.6141-56.3172.5000103.9G36 S40G36-I38 PolarHBondContact O-N 2.71Å; I38-S40 PolarHBondContact O-N 2.76Å
39Q42.3Very low48.4Very low170 Ų170120.6 Ų120.679%0.79465%0.65SS**  trans-6382.8150-69.1-172.3-7.900102.5C37 L41C37-Q39 HydrophobicContact CB-CG 4.02Å; C37-Q39 PolarHBondContact O-N 2.82Å; Q39-L41 PolarHBondContact O-N 2.85Å
40S41.2Very low49.5Very low78 Ų78121.5 Ų121.555%0.54565%0.652SS.*  trans-35.6109.6145.1153.90000103.4I38 K42I38-S40 PolarHBondContact O-N 2.76Å; S40-K42 PolarHBondContact O-N 2.79Å
41L42.3Very low51.5Low150 Ų150117.3 Ų117.379%0.78563%0.632SS**  trans-4697.8149.7-71.3158.3000102.3Q39 C43Q39-L41 PolarHBondContact O-N 2.85Å; L41-C43 PolarHBondContact O-N 2.69Å
42K42Very low54.1Low187 Ų187111.9 Ų111.981%0.81361%0.608SS**  trans-64.778.6161.6-88.8-177.1176176.60102.2S40 K44S40-K42 PolarHBondContact O-N 2.79Å; K42-K44 PolarHBondContact O-N 2.68Å
43C45.8Very low56.7Low105 Ų105107.9 Ų107.971%0.70959%0.594SS**  trans-5099.7154-670000102L41 P45L41-C43 PolarHBondContact O-N 2.69Å; C43-P45 WeakPolarHBondContact O-CD 3.5Å
44K45.3Very low59.3Low183 Ų183104.8 Ų104.880%0.79657%0.571SS**PPolyproline II helixtrans-46.6123.2168.5-75.1-178.1176.7179.80104.2K42 K46K42-K44 PolarHBondContact O-N 2.68Å; K44-K46 PolarHBondContact O-N 2.97Å
45P54.8Low61.8Low123 Ų123104.3 Ų104.380%0.79956%0.556SS**PPolyproline II helixtrans-50.6122.4177.618.1-28.2000105.7C43 S47C43-P45 WeakPolarHBondContact O-CD 3.5Å; P45-S47 PolarHBondContact O-N 2.67Å; P45-S47 VanDerWaalsContact O-N 3.14Å
46K58.7Low64.5Low165 Ų165100.9 Ų100.972%0.71754%0.539SS*.PPolyproline II helixtrans-52.1129.2-179.6-77.2-175.6175.9-178.50106.2K44 S51K44-K46 PolarHBondContact O-N 2.97Å; K46-S51 VanDerWaalsContact CB-OG 3.22Å; K46-S51 WeakPolarHBondContact CB-OG 3.44Å
47S69.1Low67.4Low45 Ų4599.2 Ų99.232%0.31551%0.512SS..PPolyproline II helixtrans-56.6149175.470.80000108.3P45 R49 D50 S51P45-S47 PolarHBondContact O-N 2.67Å; P45-S47 VanDerWaalsContact O-N 3.14Å; S47-R49 PolarHBondContact O-N 3.26Å; S47-R49 VanDerWaalsContact O-N 3.11Å; S47-R49 WeakPolarHBondContact OG-CB 3.22Å; S47-D50 PolarHBondContact O-N 3.14Å; S47-D50 PolarHBondContact OG-N 3.36Å; S47-D50 PolarHBondContact OG-OD2 2.67Å; S47-S51 PolarHBondContact O-N 2.92Å; S47-S51 PolarHBondContact O-OG 3.36Å
48F74.9Confident70.2Confident25 Ų2597.8 Ų97.811%0.1150%0.504CS..G310 helixtrans-50.6-38.2175.3179.3-92000110.4D50 S51 V52 V91 P92 V94 W100 A209F48-D50 PolarHBondContact O-N 3.47Å; F48-S51 PolarHBondContact O-N 3.11Å; F48-S51 VanDerWaalsContact O-N 3.07Å; F48-V52 HydrophobicContact CD1-CG2 3.97Å; F48-V52 HydrophobicContact CE1-CG2 3.42Å; F48-V52 VanDerWaalsContact CE1-CG2 3.42Å; F48-V52 HydrophobicContact CE2-CG2 4.08Å; F48-V52 HydrophobicContact CZ-CG2 3.5Å; F48-V52 VanDerWaalsContact CZ-CG2 3.5Å; F48-V52 PolarHBondContact O-N 2.91Å; F48-V91 HydrophobicContact CE2-CG1 3.86Å; F48-V91 HydrophobicContact CZ-CG1 3.94Å; F48-P92 HydrophobicContact CD2-CG 4.04Å; F48-P92 HydrophobicContact CE2-CG 4.1Å; F48-V94 HydrophobicContact CE2-CG2 3.96Å; F48-W100 HydrophobicContact CB-CH2 4.12Å; F48-W100 HydrophobicContact CB-CZ2 3.64Å; F48-W100 AromaticContact CD1-CD2 3.57Å; F48-W100 HydrophobicContact CD1-CD2 3.57Å; F48-W100 AromaticContact CD1-CE2 3.45Å; F48-W100 VanDerWaalsContact CD1-CE2 3.45Å; F48-W100 AromaticContact CD1-CE3 3.57Å; F48-W100 HydrophobicContact CD1-CE3 3.57Å; F48-W100 HydrophobicContact CD1-CG 4.39Å; F48-W100 AromaticContact CD1-CH2 3.37Å; F48-W100 HydrophobicContact CD1-CH2 3.37Å; F48-W100 AromaticContact CD1-CZ2 3.37Å; F48-W100 HydrophobicContact CD1-CZ2 3.37Å; F48-W100 AromaticContact CD1-CZ3 3.48Å; F48-W100 HydrophobicContact CD1-CZ3 3.48Å; F48-W100 VanDerWaalsContact CD1-CZ3 3.48Å; F48-W100 HydrophobicContact CD2-CD2 4.34Å; F48-W100 AromaticContact CD2-CE2 3.89Å; F48-W100 HydrophobicContact CD2-CZ2 4.26Å; F48-W100 AromaticContact CD2-NE1 3.81Å; F48-W100 HydrophobicContact CE1-CB 4.38Å; F48-W100 AromaticContact CE1-CD2 3.29Å; F48-W100 HydrophobicContact CE1-CD2 3.29Å; F48-W100 AromaticContact CE1-CE2 3.69Å; F48-W100 AromaticContact CE1-CE3 3.27Å; F48-W100 HydrophobicContact CE1-CE3 3.27Å; F48-W100 AromaticContact CE1-CG 3.82Å; F48-W100 HydrophobicContact CE1-CG 3.82Å; F48-W100 HydrophobicContact CE1-CH2 4.02Å; F48-W100 HydrophobicContact CE1-CZ2 4.05Å; F48-W100 AromaticContact CE1-CZ3 3.65Å; F48-W100 HydrophobicContact CE1-CZ3 3.65Å; F48-W100 AromaticContact CE2-CD1 3.89Å; F48-W100 HydrophobicContact CE2-CD2 4.13Å; F48-W100 AromaticContact CE2-CG 3.98Å; F48-W100 HydrophobicContact CE2-CG 3.98Å; F48-W100 AromaticContact CE2-NE1 3.97Å; F48-W100 HydrophobicContact CG-CD2 4.08Å; F48-W100 AromaticContact CG-CE2 3.55Å; F48-W100 HydrophobicContact CG-CE3 4.49Å; F48-W100 AromaticContact CG-CH2 3.95Å; F48-W100 HydrophobicContact CG-CH2 3.95Å; F48-W100 AromaticContact CG-CZ2 3.49Å; F48-W100 HydrophobicContact CG-CZ2 3.49Å; F48-W100 VanDerWaalsContact CG-CZ2 3.49Å; F48-W100 HydrophobicContact CG-CZ3 4.43Å; F48-W100 AromaticContact CG-NE1 3.94Å; F48-W100 HydrophobicContact CZ-CB 3.96Å; F48-W100 AromaticContact CZ-CD1 3.98Å; F48-W100 AromaticContact CZ-CD2 3.6Å; F48-W100 HydrophobicContact CZ-CD2 3.6Å; F48-W100 HydrophobicContact CZ-CE3 4.01Å; F48-W100 AromaticContact CZ-CG 3.58Å; F48-W100 HydrophobicContact CZ-CG 3.58Å; F48-A209 HydrophobicContact CE1-CB 4Å
49R69.9Low72.5Confident161 Ų16191.7 Ų91.761%0.60847%0.474SS*.G310 helixtrans-50.4-45.4171.7169.2172.1-172.7-177.53.2114.9S47 S51 V218S47-R49 PolarHBondContact O-N 3.26Å; S47-R49 VanDerWaalsContact O-N 3.11Å; S47-R49 WeakPolarHBondContact OG-CB 3.22Å; R49-S51 PolarHBondContact O-N 3.43Å; R49-V218 HydrophobicContact CB-CG1 3.99Å; R49-V218 HydrophobicContact CB-CG2 3.72Å; R49-V218 HydrophobicContact CG-CG1 3.72Å; R49-V218 HydrophobicContact CG-CG2 4.18Å
50D73.9Confident75.2Confident111 Ų11185.8 Ų85.859%0.59445%0.451SS*.G310 helixtrans-830.2-177.1-57.5-44000113S47 F48S47-D50 PolarHBondContact O-N 3.14Å; S47-D50 PolarHBondContact OG-N 3.36Å; S47-D50 PolarHBondContact OG-OD2 2.67Å; F48-D50 PolarHBondContact O-N 3.47Å
51S84.8Confident77.9Confident26 Ų2682.2 Ų82.218%0.18243%0.426CS..THydrogen-bonded Turntrans-118.1-22-166.4-56.50000113.5K46 S47 F48 R49 I53K46-S51 VanDerWaalsContact CB-OG 3.22Å; K46-S51 WeakPolarHBondContact CB-OG 3.44Å; S47-S51 PolarHBondContact O-N 2.92Å; S47-S51 PolarHBondContact O-OG 3.36Å; F48-S51 PolarHBondContact O-N 3.11Å; F48-S51 VanDerWaalsContact O-N 3.07Å; R49-S51 PolarHBondContact O-N 3.43Å; S51-I53 PolarHBondContact O-N 3.08Å
52V93.8Very high80.5Confident16 Ų1676.7 Ų76.710%0.09740%0.397CS..  trans-73.3124.6171.4-179.70000109.7F48 L89 L220F48-V52 HydrophobicContact CD1-CG2 3.97Å; F48-V52 HydrophobicContact CE1-CG2 3.42Å; F48-V52 VanDerWaalsContact CE1-CG2 3.42Å; F48-V52 HydrophobicContact CE2-CG2 4.08Å; F48-V52 HydrophobicContact CZ-CG2 3.5Å; F48-V52 VanDerWaalsContact CZ-CG2 3.5Å; F48-V52 PolarHBondContact O-N 2.91Å; V52-L89 HydrophobicContact CG1-CD2 4.36Å; V52-L220 HydrophobicContact CB-CD2 4.03Å; V52-L220 HydrophobicContact CG1-CD1 3.81Å; V52-L220 HydrophobicContact CG1-CD2 3.97Å
53I95.6Very high83Confident88 Ų8873 Ų7345%0.45140%0.395SS..EExtended strand (participates in β ladder)trans-110.6126.8-178.7-60.1168000109.4S51 L55 L89 L90S51-I53 PolarHBondContact O-N 3.08Å; I53-L55 HydrophobicContact CG2-CD2 4.1Å; I53-L55 PolarHBondContact O-N 2.88Å; I53-L89 CarbonylContact O-C 3.57Å; I53-L89 WeakPolarHBondContact O-CA 3.34Å; I53-L90 HydrophobicContact CB-CB 4.23Å; I53-L90 HydrophobicContact CD1-CD2 4.37Å; I53-L90 PolarHBondContact N-O 2.97Å; I53-L90 PolarHBondContact O-N 3.37Å
54V97.2Very high85.2Confident31 Ų3172 Ų7219%0.18838%0.382CS..EExtended strand (participates in β ladder)trans-83.3103.8168.7-174.60000107.9E56 L57 L89 L207 L220 R221V54-E56 WeakPolarHBondContact CG1-O 3.38Å; V54-L57 HydrophobicContact CG1-CB 4.08Å; V54-L89 HydrophobicContact CB-CD2 4.41Å; V54-L89 HydrophobicContact CG2-CD2 3.86Å; V54-L207 HydrophobicContact CG1-CD2 4.39Å; V54-L207 HydrophobicContact CG2-CD2 4.09Å; V54-L220 HydrophobicContact CG2-CB 4.02Å; V54-R221 HydrophobicContact CG2-CG 4.23Å
55L97.6Very high87.5Confident74 Ų7466.8 Ų66.839%0.38737%0.367SS..EExtended strand (participates in β ladder)trans-73.9-39.4-178.7-63.1175.8000112I53 R88 L90 K167I53-L55 HydrophobicContact CG2-CD2 4.1Å; I53-L55 PolarHBondContact O-N 2.88Å; L55-R88 HydrophobicContact CB-CB 4.29Å; L55-R88 WeakPolarHBondContact CB-O 3.14Å; L55-R88 PolarHBondContact N-O 2.99Å; L55-L90 HydrophobicContact CD1-CB 4.03Å; L55-L90 HydrophobicContact CD2-CB 4.07Å; L55-L90 HydrophobicContact CG-CB 3.99Å; L55-K167 HydrophobicContact CD1-CD 4.39Å; L55-K167 HydrophobicContact CD1-CG 4.36Å
56E97.9Very high89.5Confident73 Ų7361.3 Ų61.334%0.34133%0.332SS..EExtended strand (participates in β ladder)trans-143.8141.8178-176.4179.3168.700108.6V54 A87 R88V54-E56 WeakPolarHBondContact CG1-O 3.38Å; E56-A87 CarbonylContact O-C 3.58Å; E56-A87 VanDerWaalsContact O-CA 3.24Å; E56-A87 WeakPolarHBondContact O-CA 3.43Å; E56-R88 HydrophobicContact CB-CB 4.08Å; E56-R88 HydrophobicContact CB-CG 4.42Å; E56-R88 PolarHBondContact N-O 3.22Å; E56-R88 PolarHBondContact O-N 3.07Å; E56-R88 IonicContact OE2-CZ 2.8Å; E56-R88 IonicContact OE2-NE 3.93Å; E56-R88 PolarHBondContact OE2-NE 2.93Å; E56-R88 IonicContact OE2-NH2 3.75Å; E56-R88 PolarHBondContact OE2-NH2 3.28Å
57L98.4Very high91.3Very high35 Ų3556.6 Ų56.618%0.18332%0.319CS..EExtended strand (participates in β ladder)trans-137.8124.3168.9176.565.5000107.9V54 H86 A87 W104 R221 I223 I256V54-L57 HydrophobicContact CG1-CB 4.08Å; L57-H86 WeakPolarHBondContact CA-O 3.26Å; L57-A87 HydrophobicContact CD1-CB 4.19Å; L57-W104 HydrophobicContact CD1-CH2 3.67Å; L57-W104 HydrophobicContact CD1-CZ3 4.48Å; L57-R221 HydrophobicContact CD2-CB 3.88Å; L57-R221 HydrophobicContact CD2-CG 3.72Å; L57-I223 HydrophobicContact CD1-CD1 4.27Å; L57-I256 HydrophobicContact CD2-CB 4.46Å; L57-I256 HydrophobicContact CD2-CD1 3.65Å; L57-I256 HydrophobicContact CD2-CG1 3.91Å; L57-I256 HydrophobicContact CD2-CG2 3.69Å; L57-I256 HydrophobicContact CG-CD1 3.85Å; L57-I256 HydrophobicContact CG-CG1 4.47Å
58S98.3Very high92.7Very high51 Ų5156.9 Ų56.936%0.35732%0.317SS..EExtended strand (participates in β ladder)trans-130.2144.5172.759.40000110.2A85 H86S58-A85 WeakPolarHBondContact O-CA 3.39Å; S58-H86 PolarHBondContact N-O 3.35Å; S58-H86 PolarHBondContact O-N 2.8Å
59T98.6Very high93.8Very high29 Ų2958.6 Ų58.618%0.17833%0.327CS..EExtended strand (participates in β ladder)trans-148.8143.3176.3-1760000109.9F83 R84 I223 P254 I256T59-F83 WeakPolarHBondContact OG1-CE2 3.42Å; T59-R84 CarbonylContact C-O 3.34Å; T59-R84 WeakPolarHBondContact CA-O 3.35Å; T59-R84 PolarHBondContact OG1-O 3.26Å; T59-I223 HydrophobicContact CG2-CD1 4.4Å; T59-I223 HydrophobicContact CG2-CG2 4.17Å; T59-P254 HydrophobicContact CG2-CB 4.03Å; T59-P254 HydrophobicContact CG2-CG 3.75Å; T59-P254 WeakPolarHBondContact OG1-CB 3.4Å; T59-P254 WeakPolarHBondContact OG1-CG 3.45Å; T59-I256 HydrophobicContact CG2-CD1 3.96Å; T59-I256 HydrophobicContact CG2-CG1 3.61Å
60S98.6Very high95.1Very high45 Ų4551.8 Ų51.832%0.31530%0.302SS..EExtended strand (participates in β ladder)trans-157160.3-177.458.70000111F83 R84S60-F83 CarbonylContact O-C 3.59Å; S60-F83 WeakPolarHBondContact O-CA 3.43Å; S60-R84 PolarHBondContact N-O 3.38Å; S60-R84 PolarHBondContact O-N 3.35Å
61I98.4Very high96.1Very high4 Ų450.5 Ų50.52%0.02131%0.307CS..EExtended strand (participates in β ladder)trans-110.7131.1156.9-71.5163.9000107.8P81 H82 F83 W225 Q251 E252 Q253I61-P81 HydrophobicContact CG2-CB 3.85Å; I61-H82 WeakPolarHBondContact CA-O 3.25Å; I61-F83 HydrophobicContact CG1-CB 4.05Å; I61-F83 HydrophobicContact CG1-CD2 4.13Å; I61-W225 HydrophobicContact CD1-CE3 4.24Å; I61-Q251 HydrophobicContact CB-CB 4.41Å; I61-Q251 HydrophobicContact CD1-CB 4.13Å; I61-Q251 HydrophobicContact CG2-CB 3.78Å; I61-Q251 HydrophobicContact CG2-CG 4.07Å; I61-E252 WeakPolarHBondContact CD1-O 3.45Å; I61-Q253 PolarHBondContact O-NE2 2.82Å
62D97.2Very high96.7Very high34 Ų3450.5 Ų50.518%0.18231%0.307CS..  trans-52.6141178.9-69-12.9000110.7N64 P81 H82 R84D62-N64 VanDerWaalsContact C-N 3.31Å; D62-N64 WeakPolarHBondContact CB-OD1 3.24Å; D62-N64 PolarHBondContact O-N 2.81Å; D62-P81 HydrophobicContact CB-CB 4.09Å; D62-P81 VanDerWaalsContact O-CB 3.29Å; D62-P81 WeakPolarHBondContact O-CB 3.39Å; D62-H82 PolarHBondContact N-O 2.89Å; D62-H82 WeakPolarHBondContact OD2-CB 3.32Å; D62-H82 IonicContact OD2-CD2 2.65Å; D62-R84 WeakPolarHBondContact OD1-CD 3.24Å; D62-R84 IonicContact OD1-CZ 2.66Å; D62-R84 IonicContact OD1-NE 2.61Å; D62-R84 PolarHBondContact OD1-NE 3.42Å; D62-R84 IonicContact OD1-NH2 3.42Å; D62-R84 IonicContact OD2-CZ 3.65Å; D62-R84 IonicContact OD2-NE 3.28Å; D62-R84 PolarHBondContact OD2-NE 2.7Å; D62-R84 IonicContact OD2-NH2 3.82Å; D62-R84 PolarHBondContact OD2-NH2 2.71Å
63S93.6Very high96.6Very high110 Ų11054.4 Ų54.477%0.76934%0.335SS*.SBendtrans-78.5-13.6-17257.30000114.4
64N92.9Very high96.5Very high83 Ų8354.3 Ų54.344%0.44434%0.338SS..SBendtrans-60.6142.8174.733.8-92000110.7D62 P81D62-N64 VanDerWaalsContact C-N 3.31Å; D62-N64 WeakPolarHBondContact CB-OD1 3.24Å; D62-N64 PolarHBondContact O-N 2.81Å; N64-P81 WeakPolarHBondContact O-CB 3.32Å; N64-P81 WeakPolarHBondContact O-CG 3.5Å
65P93.2Very high96.4Very high73 Ų7353.7 Ų53.747%0.47433%0.334SS..PPolyproline II helixtrans-71.6167.1174.930.6-35.2000111.5S67 L245P65-S67 PolarHBondContact O-N 2.92Å; P65-L245 HydrophobicContact CB-CD2 4.29Å
66T96.9Very high96.5Very high9 Ų950.1 Ų50.16%0.05532%0.316CS..PPolyproline II helixtrans-59124.1169.6-63.50000110.1Y78 R79 T80T66-Y78 HydrophobicContact CG2-CD2 4.01Å; T66-Y78 HydrophobicContact CG2-CG 4.43Å; T66-R79 CarbonylContact C-O 3.58Å; T66-R79 VanDerWaalsContact CA-O 3.3Å; T66-R79 WeakPolarHBondContact CA-O 3.48Å; T66-R79 WeakPolarHBondContact CG2-O 3.33Å; T66-T80 HydrophobicContact CG2-CG2 4.41Å
67S96.8Very high96.5Very high65 Ų6550.2 Ų50.246%0.45531%0.313SS..EExtended strand (participates in β ladder)trans-87.1138.917565.20000110.7P65 Y78 R79P65-S67 PolarHBondContact O-N 2.92Å; S67-Y78 CarbonylContact O-C 3.48Å; S67-Y78 WeakPolarHBondContact O-CA 3.28Å; S67-Y78 WeakPolarHBondContact O-CB 3.35Å; S67-R79 PolarHBondContact N-O 3.18Å; S67-R79 PolarHBondContact O-N 2.67Å; S67-R79 WeakPolarHBondContact OG-CB 3.48Å
68I97.9Very high96.4Very high52 Ų5248.6 Ų48.627%0.26731%0.305SS..EExtended strand (participates in β ladder)trans-112.8134.3177.1-59.7169.7000108.7E70 L76 I231 A243 L245I68-E70 HydrophobicContact CG2-CG 4.17Å; I68-L76 HydrophobicContact CG2-CD1 4.11Å; I68-L76 HydrophobicContact CG2-CD2 4.28Å; I68-L76 HydrophobicContact CG2-CG 4.15Å; I68-I231 HydrophobicContact CD1-CD1 4.1Å; I68-I231 HydrophobicContact CD1-CG1 4.04Å; I68-I231 HydrophobicContact CD1-CG2 3.85Å; I68-I231 HydrophobicContact CG1-CD1 4.1Å; I68-A243 HydrophobicContact CD1-CB 4.32Å; I68-A243 HydrophobicContact CG2-CB 3.87Å; I68-L245 HydrophobicContact CD1-CB 4.11Å
69D97.6Very high96.4Very high60 Ų6051.3 Ų51.332%0.32131%0.307SS..EExtended strand (participates in β ladder)trans-122.6115.9176.7169.827.1000109.7A71 R77D69-A71 WeakPolarHBondContact OD1-CB 3.46Å; D69-A71 PolarHBondContact OD1-N 2.83Å; D69-R77 HydrophobicContact CB-CB 4.17Å; D69-R77 PolarHBondContact N-O 2.69Å; D69-R77 PolarHBondContact O-N 2.78Å
70E97.5Very high96.3Very high18 Ų1850.1 Ų50.18%0.08430%0.3CS..  trans-10714.2177.8-56.1-172.3-143.900112.5I68 S72 W182 L239 G240 Q241 R242 A243I68-E70 HydrophobicContact CG2-CG 4.17Å; E70-S72 PolarHBondContact O-N 3.43Å; E70-S72 VanDerWaalsContact O-N 3.08Å; E70-W182 HydrophobicContact CB-CH2 4.22Å; E70-W182 HydrophobicContact CB-CZ2 4.08Å; E70-W182 HydrophobicContact CG-CH2 3.87Å; E70-W182 HydrophobicContact CG-CZ2 4.22Å; E70-L239 HydrophobicContact CB-CD1 4.29Å; E70-L239 WeakPolarHBondContact O-CD1 3.45Å; E70-L239 WeakPolarHBondContact O-CD2 3.16Å; E70-L239 WeakPolarHBondContact O-CG 3.37Å; E70-G240 WeakPolarHBondContact OE2-CA 3.4Å; E70-G240 PolarHBondContact OE2-N 2.85Å; E70-Q241 PolarHBondContact OE2-N 2.88Å; E70-R242 PolarHBondContact OE1-N 2.87Å; E70-R242 VanDerWaalsContact OE1-N 3.11Å; E70-R242 VanDerWaalsContact OE2-CB 3.3Å; E70-R242 WeakPolarHBondContact OE2-CB 3.16Å; E70-R242 PolarHBondContact OE2-N 2.95Å; E70-A243 HydrophobicContact CG-CB 4.45Å; E70-A243 WeakPolarHBondContact OE1-CB 3.14Å; E70-A243 PolarHBondContact OE1-N 2.83Å
71A96.3Very high96.3Very high84 Ų8448.1 Ų48.169%0.69429%0.285SS*.  trans-63-20.5-174.700000113.8D69D69-A71 WeakPolarHBondContact OD1-CB 3.46Å; D69-A71 PolarHBondContact OD1-N 2.83Å
72S95.6Very high96.3Very high27 Ų2750 Ų5019%0.18929%0.294CS..  trans-91.6132.9178.8179.60000112.1E70 V74 V75 W182E70-S72 PolarHBondContact O-N 3.43Å; E70-S72 VanDerWaalsContact O-N 3.08Å; S72-V74 PolarHBondContact O-N 3.35Å; S72-V74 PolarHBondContact OG-N 2.94Å; S72-V75 WeakPolarHBondContact CB-O 3.48Å; S72-V75 PolarHBondContact OG-N 3.28Å; S72-W182 PolarHBondContact O-NE1 3.31Å
73S92.9Very high96.3Very high97 Ų9748.4 Ų48.468%0.67829%0.286SS*.SBendtrans-71.6-7172.256.60000114.4W182S73-W182 VanDerWaalsContact C-CD1 3.47Å; S73-W182 VanDerWaalsContact O-CD1 3.26Å
74V93.3Very high96.6Very high86 Ų8647.9 Ų47.952%0.52127%0.267SS..SBendtrans-109.5-35.8-175.8-175.20000112.1S72 W182S72-V74 PolarHBondContact O-N 3.35Å; S72-V74 PolarHBondContact OG-N 2.94Å; V74-W182 VanDerWaalsContact O-CD1 3.28Å; V74-W182 PolarHBondContact O-N 2.77Å
75V96.1Very high96.8Very high18 Ų1844.1 Ų44.111%0.10925%0.247CC..EExtended strand (participates in β ladder)trans-136149-176.1-61.30000112.6S72 R77 V180 T181 W182S72-V75 WeakPolarHBondContact CB-O 3.48Å; S72-V75 PolarHBondContact OG-N 3.28Å; V75-R77 HydrophobicContact CG2-CG 4.26Å; V75-V180 CarbonylContact C-O 3.16Å; V75-V180 WeakPolarHBondContact CA-O 3.48Å; V75-V180 WeakPolarHBondContact CB-O 3.34Å; V75-T181 HydrophobicContact CG1-CG2 4.27Å; V75-W182 VanDerWaalsContact C-NE1 3.33Å; V75-W182 PolarHBondContact O-NE1 3.48Å
76L97.8Very high97.1Very high0 Ų043.3 Ų43.30%024%0.237CC..EExtended strand (participates in β ladder)trans-87133.8158.1-176.9153000108.6I68 Y78 V180 W182 L194 I197 V233 A243I68-L76 HydrophobicContact CG2-CD1 4.11Å; I68-L76 HydrophobicContact CG2-CD2 4.28Å; I68-L76 HydrophobicContact CG2-CG 4.15Å; L76-Y78 HydrophobicContact CD2-CD1 3.91Å; L76-V180 PolarHBondContact N-O 2.78Å; L76-V180 PolarHBondContact O-N 3.09Å; L76-W182 HydrophobicContact CB-CD2 4.49Å; L76-W182 HydrophobicContact CB-CE3 4.28Å; L76-W182 HydrophobicContact CB-CH2 3.61Å; L76-W182 HydrophobicContact CB-CZ2 3.79Å; L76-W182 HydrophobicContact CB-CZ3 3.84Å; L76-W182 HydrophobicContact CD1-CH2 3.66Å; L76-W182 HydrophobicContact CD1-CZ3 3.75Å; L76-W182 HydrophobicContact CG-CH2 3.99Å; L76-W182 HydrophobicContact CG-CZ2 4.49Å; L76-W182 HydrophobicContact CG-CZ3 4.35Å; L76-L194 HydrophobicContact CB-CD2 4.39Å; L76-I197 HydrophobicContact CD1-CD1 4.42Å; L76-I197 HydrophobicContact CD2-CD1 3.75Å; L76-V233 HydrophobicContact CD1-CG2 4.14Å; L76-A243 HydrophobicContact CD1-CB 3.49Å; L76-A243 VanDerWaalsContact CD1-CB 3.49Å
77R98.3Very high97.2Very high75 Ų7542.9 Ų42.928%0.28323%0.234SC..EExtended strand (participates in β ladder)trans-110.4146.9168.4-64.2-173.7-177.989.53109.8D69 V75 S179D69-R77 HydrophobicContact CB-CB 4.17Å; D69-R77 PolarHBondContact N-O 2.69Å; D69-R77 PolarHBondContact O-N 2.78Å; V75-R77 HydrophobicContact CG2-CG 4.26Å; R77-S179 PolarHBondContact NE-OG 2.98Å
78Y97.6Very high97.3Very high1 Ų144.7 Ų44.70%0.00423%0.231CC..EExtended strand (participates in β ladder)trans-139.8151.9168.266.5-97.5000110T66 S67 L76 T80 F113 Y177 P178 V180 I197 L229 I231T66-Y78 HydrophobicContact CG2-CD2 4.01Å; T66-Y78 HydrophobicContact CG2-CG 4.43Å; S67-Y78 CarbonylContact O-C 3.48Å; S67-Y78 WeakPolarHBondContact O-CA 3.28Å; S67-Y78 WeakPolarHBondContact O-CB 3.35Å; L76-Y78 HydrophobicContact CD2-CD1 3.91Å; Y78-T80 HydrophobicContact CD2-CG2 4.16Å; Y78-T80 HydrophobicContact CE2-CG2 4.03Å; Y78-F113 WeakPolarHBondContact OH-CZ 3.2Å; Y78-Y177 WeakPolarHBondContact O-CA 3.47Å; Y78-Y177 WeakPolarHBondContact O-CD2 3.27Å; Y78-P178 HydrophobicContact CD1-CG 4.08Å; Y78-P178 HydrophobicContact CD2-CG 4.25Å; Y78-P178 HydrophobicContact CE1-CG 3.43Å; Y78-P178 VanDerWaalsContact CE1-CG 3.43Å; Y78-P178 HydrophobicContact CE2-CG 3.62Å; Y78-P178 HydrophobicContact CG-CG 4.46Å; Y78-P178 WeakPolarHBondContact O-CD 3.18Å; Y78-P178 WeakPolarHBondContact OH-CG 3.28Å; Y78-V180 HydrophobicContact CE1-CG2 4.25Å; Y78-I197 HydrophobicContact CD1-CD1 4.31Å; Y78-I197 HydrophobicContact CE1-CD1 4.24Å; Y78-I197 HydrophobicContact CE1-CG2 4.07Å; Y78-L229 HydrophobicContact CD2-CD2 4.12Å; Y78-L229 HydrophobicContact CE2-CD1 4.3Å; Y78-L229 HydrophobicContact CE2-CD2 3.4Å; Y78-L229 VanDerWaalsContact CE2-CD2 3.4Å; Y78-I231 HydrophobicContact CD1-CD1 3.78Å; Y78-I231 HydrophobicContact CE1-CD1 4.4Å; Y78-I231 HydrophobicContact CG-CD1 3.86Å
79R97.6Very high97.2Very high108 Ų10842.2 Ų42.241%0.40822%0.218SC..EExtended strand (participates in β ladder)trans-124.4119.7176.1-167.3-179.3-67.2156.52109.4T66 S67 N175 F176 Y177T66-R79 CarbonylContact C-O 3.58Å; T66-R79 VanDerWaalsContact CA-O 3.3Å; T66-R79 WeakPolarHBondContact CA-O 3.48Å; T66-R79 WeakPolarHBondContact CG2-O 3.33Å; S67-R79 PolarHBondContact N-O 3.18Å; S67-R79 PolarHBondContact O-N 2.67Å; S67-R79 WeakPolarHBondContact OG-CB 3.48Å; R79-N175 VanDerWaalsContact CG-ND2 3.31Å; R79-N175 WeakPolarHBondContact CG-ND2 2.89Å; R79-F176 VanDerWaalsContact CA-O 3.3Å; R79-F176 WeakPolarHBondContact CA-O 3.29Å; R79-Y177 HydrophobicContact CB-CD2 3.64Å; R79-Y177 HydrophobicContact CB-CE2 4.09Å; R79-Y177 HydrophobicContact CG-CD2 3.89Å
80T97.5Very high97.2Very high3 Ų340.8 Ų40.82%0.01821%0.211CC..PPolyproline II helixtrans-78.3161.8173.566.80000110.7T66 Y78 F176 M227 L229T66-T80 HydrophobicContact CG2-CG2 4.41Å; Y78-T80 HydrophobicContact CD2-CG2 4.16Å; Y78-T80 HydrophobicContact CE2-CG2 4.03Å; T80-F176 HydrophobicContact CG2-CB 3.98Å; T80-F176 HydrophobicContact CG2-CD2 4.07Å; T80-F176 PolarHBondContact N-O 2.77Å; T80-F176 PolarHBondContact OG1-N 2.71Å; T80-M227 HydrophobicContact CG2-CG 4.18Å; T80-M227 HydrophobicContact CG2-SD 4.05Å; T80-L229 HydrophobicContact CG2-CD2 3.79Å
81P97.4Very high97.2Very high3 Ų339.9 Ų39.92%0.01921%0.207CC..PPolyproline II helixtrans-63.9154.2174-17.234.7000110.1I61 D62 N64 Q251I61-P81 HydrophobicContact CG2-CB 3.85Å; D62-P81 HydrophobicContact CB-CB 4.09Å; D62-P81 VanDerWaalsContact O-CB 3.29Å; D62-P81 WeakPolarHBondContact O-CB 3.39Å; N64-P81 WeakPolarHBondContact O-CB 3.32Å; N64-P81 WeakPolarHBondContact O-CG 3.5Å; P81-Q251 HydrophobicContact CG-CG 4.43Å
82H97.7Very high97.1Very high45 Ų4536.8 Ų36.821%0.20818%0.179CC..PPolyproline II helixtrans-77.7128.8178.2-69-96000110.6I61 D62 R84 N173 D174 N175I61-H82 WeakPolarHBondContact CA-O 3.25Å; D62-H82 PolarHBondContact N-O 2.89Å; D62-H82 WeakPolarHBondContact OD2-CB 3.32Å; D62-H82 IonicContact OD2-CD2 2.65Å; H82-R84 HydrophobicContact CB-CG 4.33Å; H82-N173 PolarHBondContact ND1-OD1 3.28Å; H82-D174 CarbonylContact C-O 3.57Å; H82-D174 VanDerWaalsContact CA-O 3.28Å; H82-D174 WeakPolarHBondContact CA-O 3.29Å; H82-N175 PolarHBondContact CE1-ND2 2.88Å; H82-N175 VanDerWaalsContact CE1-ND2 3.34Å; H82-N175 PolarHBondContact CE1-OD1 2.86Å; H82-N175 PolarHBondContact NE2-ND2 2.92Å
83F98.4Very high97Very high0 Ų038.5 Ų38.50%019%0.19CC..EExtended strand (participates in β ladder)trans-69.6138.4152.4168.2-107.8000108.6T59 S60 I61 A85 M172 N173 D174 I223 W225 P254T59-F83 WeakPolarHBondContact OG1-CE2 3.42Å; S60-F83 CarbonylContact O-C 3.59Å; S60-F83 WeakPolarHBondContact O-CA 3.43Å; I61-F83 HydrophobicContact CG1-CB 4.05Å; I61-F83 HydrophobicContact CG1-CD2 4.13Å; F83-A85 HydrophobicContact CE1-CB 4.21Å; F83-A85 HydrophobicContact CZ-CB 3.94Å; F83-M172 HydrophobicContact CD1-CE 4.27Å; F83-M172 HydrophobicContact CE1-CE 3.94Å; F83-M172 HydrophobicContact CE1-CG 4.47Å; F83-M172 HydrophobicContact CE1-SD 4.14Å; F83-N173 CarbonylContact O-C 3.57Å; F83-N173 WeakPolarHBondContact O-CA 3.34Å; F83-D174 HydrophobicContact CB-CB 4.48Å; F83-D174 HydrophobicContact CD1-CB 4.26Å; F83-D174 PolarHBondContact N-O 2.8Å; F83-D174 PolarHBondContact O-N 2.91Å; F83-I223 HydrophobicContact CE2-CG2 4.3Å; F83-I223 HydrophobicContact CZ-CG2 4.26Å; F83-W225 HydrophobicContact CB-CD2 4.11Å; F83-W225 HydrophobicContact CB-CE3 3.96Å; F83-W225 HydrophobicContact CB-CH2 4.05Å; F83-W225 HydrophobicContact CB-CZ2 4.19Å; F83-W225 HydrophobicContact CB-CZ3 3.92Å; F83-W225 HydrophobicContact CD1-CD2 4.16Å; F83-W225 AromaticContact CD1-CE2 3.65Å; F83-W225 HydrophobicContact CD1-CG 4.48Å; F83-W225 AromaticContact CD1-CZ2 3.91Å; F83-W225 HydrophobicContact CD1-CZ2 3.91Å; F83-W225 AromaticContact CD1-NE1 3.67Å; F83-W225 HydrophobicContact CD2-CB 4.09Å; F83-W225 AromaticContact CD2-CD2 3.86Å; F83-W225 HydrophobicContact CD2-CD2 3.86Å; F83-W225 HydrophobicContact CD2-CE3 4.33Å; F83-W225 AromaticContact CD2-CG 3.75Å; F83-W225 HydrophobicContact CD2-CG 3.75Å; F83-W225 AromaticContact CE1-CD1 3.88Å; F83-W225 HydrophobicContact CE1-CG 4.5Å; F83-W225 AromaticContact CE1-NE1 3.53Å; F83-W225 HydrophobicContact CE2-CB 4.03Å; F83-W225 AromaticContact CE2-CD1 3.66Å; F83-W225 HydrophobicContact CE2-CD2 4.29Å; F83-W225 AromaticContact CE2-CG 3.75Å; F83-W225 HydrophobicContact CE2-CG 3.75Å; F83-W225 AromaticContact CG-CD2 3.77Å; F83-W225 HydrophobicContact CG-CD2 3.77Å; F83-W225 AromaticContact CG-CE2 3.75Å; F83-W225 HydrophobicContact CG-CE3 4.13Å; F83-W225 HydrophobicContact CG-CG 4.12Å; F83-W225 HydrophobicContact CG-CH2 4.46Å; F83-W225 HydrophobicContact CG-CZ2 4.12Å; F83-W225 HydrophobicContact CG-CZ3 4.46Å; F83-W225 AromaticContact CZ-CD1 3.59Å; F83-W225 HydrophobicContact CZ-CG 4.15Å; F83-W225 AromaticContact CZ-NE1 3.77Å; F83-P254 HydrophobicContact CD2-CB 4.2Å; F83-P254 HydrophobicContact CD2-CG 4.2Å; F83-P254 HydrophobicContact CE2-CB 3.72Å; F83-P254 HydrophobicContact CE2-CG 3.96Å
84R98.6Very high97Very high99 Ų9934 Ų3437%0.37416%0.158SC..EExtended strand (participates in β ladder)trans-132.3139.5177.5-59.4-176.8-173.5-80.2-7.5109.3T59 S60 D62 H82 M172 N173T59-R84 CarbonylContact C-O 3.34Å; T59-R84 WeakPolarHBondContact CA-O 3.35Å; T59-R84 PolarHBondContact OG1-O 3.26Å; S60-R84 PolarHBondContact N-O 3.38Å; S60-R84 PolarHBondContact O-N 3.35Å; D62-R84 WeakPolarHBondContact OD1-CD 3.24Å; D62-R84 IonicContact OD1-CZ 2.66Å; D62-R84 IonicContact OD1-NE 2.61Å; D62-R84 PolarHBondContact OD1-NE 3.42Å; D62-R84 IonicContact OD1-NH2 3.42Å; D62-R84 IonicContact OD2-CZ 3.65Å; D62-R84 IonicContact OD2-NE 3.28Å; D62-R84 PolarHBondContact OD2-NE 2.7Å; D62-R84 IonicContact OD2-NH2 3.82Å; D62-R84 PolarHBondContact OD2-NH2 2.71Å; H82-R84 HydrophobicContact CB-CG 4.33Å; R84-M172 WeakPolarHBondContact CA-O 3.4Å; R84-N173 HydrophobicContact CG-CB 4.45Å
85A98.6Very high96.9Very high3 Ų332.4 Ų32.43%0.02515%0.154CC..EExtended strand (participates in β ladder)trans-136.4137.7167.100000109.5S58 F83 W104 S171 M172 I223S58-A85 WeakPolarHBondContact O-CA 3.39Å; F83-A85 HydrophobicContact CE1-CB 4.21Å; F83-A85 HydrophobicContact CZ-CB 3.94Å; A85-W104 HydrophobicContact CB-CE3 4.5Å; A85-W104 HydrophobicContact CB-CH2 3.92Å; A85-W104 HydrophobicContact CB-CZ2 4.01Å; A85-W104 HydrophobicContact CB-CZ3 4.16Å; A85-S171 CarbonylContact O-C 3.58Å; A85-S171 WeakPolarHBondContact O-CA 3.44Å; A85-M172 HydrophobicContact CB-CG 3.89Å; A85-M172 PolarHBondContact N-O 3.09Å; A85-M172 VanDerWaalsContact N-O 3.08Å; A85-M172 PolarHBondContact O-N 2.9Å; A85-I223 HydrophobicContact CB-CD1 4.04Å
86H98.8Very high96.7Very high57 Ų5734.6 Ų34.626%0.26417%0.174SC..EExtended strand (participates in β ladder)trans-139139.1179.1176.683.2000110L57 S58 V170L57-H86 WeakPolarHBondContact CA-O 3.26Å; S58-H86 PolarHBondContact N-O 3.35Å; S58-H86 PolarHBondContact O-N 2.8Å; H86-V170 WeakPolarHBondContact CA-O 3.28Å
87A98.7Very high96.3Very high0 Ų044 Ų440%022%0.215CC..EExtended strand (participates in β ladder)trans-137.6138.7175.900000111.3E56 L57 W104 A169 V170 L207E56-A87 CarbonylContact O-C 3.58Å; E56-A87 VanDerWaalsContact O-CA 3.24Å; E56-A87 WeakPolarHBondContact O-CA 3.43Å; L57-A87 HydrophobicContact CD1-CB 4.19Å; A87-W104 HydrophobicContact CB-CH2 3.99Å; A87-W104 HydrophobicContact CB-CZ2 3.74Å; A87-A169 WeakPolarHBondContact O-CA 3.46Å; A87-V170 HydrophobicContact CB-CG2 4.14Å; A87-V170 PolarHBondContact N-O 3.45Å; A87-V170 PolarHBondContact O-N 2.81Å; A87-L207 HydrophobicContact CB-CD1 4.26Å; A87-L207 HydrophobicContact CB-CD2 3.53Å
88R98.5Very high96.1Very high102 Ų10243.6 Ų43.639%0.38522%0.216SC..EExtended strand (participates in β ladder)trans-104.7131.3164.3-65.2-169.7-66.7113.6-0.6109.5L55 E56 F168 A169L55-R88 HydrophobicContact CB-CB 4.29Å; L55-R88 WeakPolarHBondContact CB-O 3.14Å; L55-R88 PolarHBondContact N-O 2.99Å; E56-R88 HydrophobicContact CB-CB 4.08Å; E56-R88 HydrophobicContact CB-CG 4.42Å; E56-R88 PolarHBondContact N-O 3.22Å; E56-R88 PolarHBondContact O-N 3.07Å; E56-R88 IonicContact OE2-CZ 2.8Å; E56-R88 IonicContact OE2-NE 3.93Å; E56-R88 PolarHBondContact OE2-NE 2.93Å; E56-R88 IonicContact OE2-NH2 3.75Å; E56-R88 PolarHBondContact OE2-NH2 3.28Å; R88-F168 CarbonylContact C-O 3.54Å; R88-F168 WeakPolarHBondContact CA-O 3.38Å; R88-A169 HydrophobicContact CG-CB 4.42Å
89L97.6Very high96Very high0 Ų044.9 Ų44.90%022%0.224CC..EExtended strand (participates in β ladder)trans-119.8144.7-172-63.8166.8000109.9V52 I53 V54 V91 I102 K167 F168 V170 L207 L220V52-L89 HydrophobicContact CG1-CD2 4.36Å; I53-L89 CarbonylContact O-C 3.57Å; I53-L89 WeakPolarHBondContact O-CA 3.34Å; V54-L89 HydrophobicContact CB-CD2 4.41Å; V54-L89 HydrophobicContact CG2-CD2 3.86Å; L89-V91 HydrophobicContact CB-CG2 4.46Å; L89-I102 HydrophobicContact CD1-CB 4.26Å; L89-I102 HydrophobicContact CD1-CG2 3.46Å; L89-I102 VanDerWaalsContact CD1-CG2 3.46Å; L89-K167 VanDerWaalsContact O-CA 3.25Å; L89-K167 WeakPolarHBondContact O-CA 3.46Å; L89-F168 PolarHBondContact N-O 2.9Å; L89-F168 PolarHBondContact O-N 3.29Å; L89-V170 HydrophobicContact CD1-CG2 4.21Å; L89-L207 HydrophobicContact CD2-CD2 3.98Å; L89-L220 HydrophobicContact CD2-CD1 4.05Å
90L97.4Very high96Very high30 Ų3039.8 Ų39.816%0.15721%0.205CC..EExtended strand (participates in β ladder)trans-112.4112.5162.6-169.871.3000107.4I53 L55 D165 K167I53-L90 HydrophobicContact CB-CB 4.23Å; I53-L90 HydrophobicContact CD1-CD2 4.37Å; I53-L90 PolarHBondContact N-O 2.97Å; I53-L90 PolarHBondContact O-N 3.37Å; L55-L90 HydrophobicContact CD1-CB 4.03Å; L55-L90 HydrophobicContact CD2-CB 4.07Å; L55-L90 HydrophobicContact CG-CB 3.99Å; L90-D165 HydrophobicContact CD1-CB 3.71Å; L90-D165 HydrophobicContact CD2-CB 4.41Å; L90-D165 HydrophobicContact CG-CB 3.99Å; L90-K167 HydrophobicContact CD1-CD 4.43Å; L90-K167 HydrophobicContact CD1-CG 3.56Å
91V96.2Very high96Very high0 Ų040 Ų400%021%0.206CC..EExtended strand (participates in β ladder)trans-99.9129.6-179.3-178.70000107.9F48 L89 V94 I102 V158 D165 S166 F168F48-V91 HydrophobicContact CE2-CG1 3.86Å; F48-V91 HydrophobicContact CZ-CG1 3.94Å; L89-V91 HydrophobicContact CB-CG2 4.46Å; V91-V94 HydrophobicContact CG1-CG2 4.23Å; V91-I102 HydrophobicContact CG1-CD1 4.31Å; V91-I102 HydrophobicContact CG2-CD1 3.39Å; V91-V158 HydrophobicContact CG1-CG2 4.3Å; V91-D165 CarbonylContact O-C 3.54Å; V91-D165 VanDerWaalsContact O-CA 3.25Å; V91-D165 WeakPolarHBondContact O-CA 3.39Å; V91-S166 PolarHBondContact N-O 3.3Å; V91-S166 PolarHBondContact O-N 2.8Å; V91-F168 HydrophobicContact CB-CD2 4.18Å; V91-F168 HydrophobicContact CB-CE2 3.98Å; V91-F168 HydrophobicContact CG2-CD2 3.59Å; V91-F168 HydrophobicContact CG2-CE2 3.84Å
92P94.3Very high96Very high18 Ų1839.9 Ų39.912%0.11721%0.205CC..PPolyproline II helixtrans-67.6172179.234.5-41.7000111.4F48 V94F48-P92 HydrophobicContact CD2-CG 4.04Å; F48-P92 HydrophobicContact CE2-CG 4.1Å; P92-V94 PolarHBondContact O-N 3.26Å
93P93.9Very high96Very high64 Ų6437.8 Ų37.842%0.41620%0.196SC..PPolyproline II helixtrans-52.4127.2168-26.737.1000111.1T162 D165P93-T162 WeakPolarHBondContact CA-OG1 3.1Å; P93-T162 WeakPolarHBondContact CB-O 3.48Å; P93-D165 WeakPolarHBondContact CD-OD1 3.17Å
94V92.9Very high96.1Very high3 Ų337.8 Ų37.82%0.01820%0.196CC..PPolyproline II helixtrans-96.4135.7-179.9179.10000108.5F48 V91 P92 E98 V158 P161 T162F48-V94 HydrophobicContact CE2-CG2 3.96Å; V91-V94 HydrophobicContact CG1-CG2 4.23Å; P92-V94 PolarHBondContact O-N 3.26Å; V94-E98 HydrophobicContact CG1-CB 3.59Å; V94-V158 HydrophobicContact CB-CG1 4.46Å; V94-V158 HydrophobicContact CG2-CB 4.4Å; V94-V158 HydrophobicContact CG2-CG1 3.7Å; V94-P161 CarbonylContact O-C 3.55Å; V94-P161 VanDerWaalsContact O-CA 3.24Å; V94-P161 WeakPolarHBondContact O-CA 3.43Å; V94-T162 PolarHBondContact N-OG1 3.44Å; V94-T162 PolarHBondContact O-N 2.97Å
95A91.4Very high96.1Very high51 Ų5133 Ų3342%0.42118%0.178SC..PPolyproline II helixtrans-68.7161.1-178.300000112.3K97 E98 G160A95-K97 PolarHBondContact O-N 2.87Å; A95-E98 HydrophobicContact CB-CG 4.29Å; A95-E98 PolarHBondContact O-N 2.84Å; A95-G160 WeakPolarHBondContact O-CA 3.19Å
96A91Very high96.1Very high65 Ų6532.9 Ų32.954%0.53718%0.177SC..THydrogen-bonded Turntrans-59.5138.7176.200000110.9E98 P161A96-E98 PolarHBondContact O-N 2.79Å; A96-P161 HydrophobicContact CB-CB 4.1Å; A96-P161 HydrophobicContact CB-CG 4.22Å
97K89.5Confident96.1Very high197 Ų19730.2 Ų30.286%0.85716%0.164SC*.THydrogen-bonded Turntrans67.69.1-179.5-48.1177.3179.1-179.90115.3A95A95-K97 PolarHBondContact O-N 2.87Å
98E93.4Very high96Very high66 Ų6630.3 Ų30.331%0.30817%0.165SC..  trans-93136.2166.6-72.3-174.5-168.300110.4V94 A95 A96 W100 G160V94-E98 HydrophobicContact CG1-CB 3.59Å; A95-E98 HydrophobicContact CB-CG 4.29Å; A95-E98 PolarHBondContact O-N 2.84Å; A96-E98 PolarHBondContact O-N 2.79Å; E98-W100 PolarHBondContact OE2-NE1 2.93Å; E98-G160 PolarHBondContact O-N 2.9Å
99T96.3Very high96Very high28 Ų2827.9 Ų27.917%0.17216%0.159CC..EExtended strand (participates in β ladder)trans-126.9125170.5-57.40000108.5T157 V158 V159 Q212T99-T157 HydrophobicContact CG2-CG2 3.5Å; T99-V158 WeakPolarHBondContact CA-O 3.42Å; T99-V159 HydrophobicContact CG2-CG2 3.93Å; T99-Q212 HydrophobicContact CG2-CB 4.49Å; T99-Q212 VanDerWaalsContact CG2-CD 3.45Å; T99-Q212 HydrophobicContact CG2-CG 4.03Å; T99-Q212 PolarHBondContact O-N 2.9Å
100W97.2Very high96Very high2 Ų231.3 Ų31.31%0.00818%0.175CC..EExtended strand (participates in β ladder)trans-117.1128.7179.6-71.987.1000109.9F48 E98 T157 V158 A209 I210 N211 E216 V218F48-W100 HydrophobicContact CB-CH2 4.12Å; F48-W100 HydrophobicContact CB-CZ2 3.64Å; F48-W100 AromaticContact CD1-CD2 3.57Å; F48-W100 HydrophobicContact CD1-CD2 3.57Å; F48-W100 AromaticContact CD1-CE2 3.45Å; F48-W100 VanDerWaalsContact CD1-CE2 3.45Å; F48-W100 AromaticContact CD1-CE3 3.57Å; F48-W100 HydrophobicContact CD1-CE3 3.57Å; F48-W100 HydrophobicContact CD1-CG 4.39Å; F48-W100 AromaticContact CD1-CH2 3.37Å; F48-W100 HydrophobicContact CD1-CH2 3.37Å; F48-W100 AromaticContact CD1-CZ2 3.37Å; F48-W100 HydrophobicContact CD1-CZ2 3.37Å; F48-W100 AromaticContact CD1-CZ3 3.48Å; F48-W100 HydrophobicContact CD1-CZ3 3.48Å; F48-W100 VanDerWaalsContact CD1-CZ3 3.48Å; F48-W100 HydrophobicContact CD2-CD2 4.34Å; F48-W100 AromaticContact CD2-CE2 3.89Å; F48-W100 HydrophobicContact CD2-CZ2 4.26Å; F48-W100 AromaticContact CD2-NE1 3.81Å; F48-W100 HydrophobicContact CE1-CB 4.38Å; F48-W100 AromaticContact CE1-CD2 3.29Å; F48-W100 HydrophobicContact CE1-CD2 3.29Å; F48-W100 AromaticContact CE1-CE2 3.69Å; F48-W100 AromaticContact CE1-CE3 3.27Å; F48-W100 HydrophobicContact CE1-CE3 3.27Å; F48-W100 AromaticContact CE1-CG 3.82Å; F48-W100 HydrophobicContact CE1-CG 3.82Å; F48-W100 HydrophobicContact CE1-CH2 4.02Å; F48-W100 HydrophobicContact CE1-CZ2 4.05Å; F48-W100 AromaticContact CE1-CZ3 3.65Å; F48-W100 HydrophobicContact CE1-CZ3 3.65Å; F48-W100 AromaticContact CE2-CD1 3.89Å; F48-W100 HydrophobicContact CE2-CD2 4.13Å; F48-W100 AromaticContact CE2-CG 3.98Å; F48-W100 HydrophobicContact CE2-CG 3.98Å; F48-W100 AromaticContact CE2-NE1 3.97Å; F48-W100 HydrophobicContact CG-CD2 4.08Å; F48-W100 AromaticContact CG-CE2 3.55Å; F48-W100 HydrophobicContact CG-CE3 4.49Å; F48-W100 AromaticContact CG-CH2 3.95Å; F48-W100 HydrophobicContact CG-CH2 3.95Å; F48-W100 AromaticContact CG-CZ2 3.49Å; F48-W100 HydrophobicContact CG-CZ2 3.49Å; F48-W100 VanDerWaalsContact CG-CZ2 3.49Å; F48-W100 HydrophobicContact CG-CZ3 4.43Å; F48-W100 AromaticContact CG-NE1 3.94Å; F48-W100 HydrophobicContact CZ-CB 3.96Å; F48-W100 AromaticContact CZ-CD1 3.98Å; F48-W100 AromaticContact CZ-CD2 3.6Å; F48-W100 HydrophobicContact CZ-CD2 3.6Å; F48-W100 HydrophobicContact CZ-CE3 4.01Å; F48-W100 AromaticContact CZ-CG 3.58Å; F48-W100 HydrophobicContact CZ-CG 3.58Å; E98-W100 PolarHBondContact OE2-NE1 2.93Å; W100-T157 CarbonylContact O-C 3.52Å; W100-T157 WeakPolarHBondContact O-CA 3.46Å; W100-V158 PolarHBondContact N-O 2.88Å; W100-V158 PolarHBondContact O-N 2.84Å; W100-A209 HydrophobicContact CE3-CB 4.08Å; W100-A209 HydrophobicContact CZ3-CB 4.36Å; W100-I210 WeakPolarHBondContact CA-O 3.37Å; W100-I210 VanDerWaalsContact CE3-C 3.44Å; W100-N211 HydrophobicContact CD2-CB 3.95Å; W100-N211 HydrophobicContact CE3-CB 3.9Å; W100-N211 VanDerWaalsContact CE3-N 3.28Å; W100-N211 HydrophobicContact CH2-CB 3.74Å; W100-N211 HydrophobicContact CZ2-CB 3.77Å; W100-N211 WeakPolarHBondContact CZ2-ND2 3.34Å; W100-N211 HydrophobicContact CZ3-CB 3.8Å; W100-N211 PolarHBondContact NE1-ND2 2.92Å; W100-E216 HydrophobicContact CH2-CB 4.17Å; W100-E216 HydrophobicContact CH2-CG 4.06Å; W100-V218 HydrophobicContact CH2-CG2 4.49Å; W100-V218 HydrophobicContact CZ3-CG2 4.29Å
101T97.8Very high96Very high8 Ų831.3 Ų31.35%0.04918%0.175CC..EExtended strand (participates in β ladder)trans-102.4130.9167.1-610000108.7W148 T155 C156 T157 A209 I210 Q212T101-W148 HydrophobicContact CG2-CD2 4.35Å; T101-W148 HydrophobicContact CG2-CH2 3.91Å; T101-W148 HydrophobicContact CG2-CZ2 3.37Å; T101-W148 WeakPolarHBondContact O-CH2 3.38Å; T101-T155 HydrophobicContact CG2-CG2 4.31Å; T101-C156 CarbonylContact C-O 3.59Å; T101-C156 WeakPolarHBondContact CA-O 3.27Å; T101-T157 PolarHBondContact OG1-OG1 3.3Å; T101-T157 VanDerWaalsContact OG1-OG1 3.09Å; T101-A209 CarbonylContact O-C 3.53Å; T101-A209 WeakPolarHBondContact O-CA 3.5Å; T101-I210 PolarHBondContact N-O 3.12Å; T101-I210 PolarHBondContact O-N 2.84Å; T101-Q212 PolarHBondContact OG1-NE2 3.46Å
102I98.1Very high96.1Very high0 Ų034.4 Ų34.40%019%0.19CC..EExtended strand (participates in β ladder)trans-124.7129.9-178.5-46.3169.2000108.1L89 V91 T155 C156 V208 A209 L220L89-I102 HydrophobicContact CD1-CB 4.26Å; L89-I102 HydrophobicContact CD1-CG2 3.46Å; L89-I102 VanDerWaalsContact CD1-CG2 3.46Å; V91-I102 HydrophobicContact CG1-CD1 4.31Å; V91-I102 HydrophobicContact CG2-CD1 3.39Å; I102-T155 CarbonylContact O-C 3.55Å; I102-T155 VanDerWaalsContact O-CA 3.27Å; I102-T155 WeakPolarHBondContact O-CA 3.33Å; I102-C156 PolarHBondContact N-O 2.66Å; I102-C156 PolarHBondContact O-N 2.83Å; I102-V208 CarbonylContact C-O 3.56Å; I102-V208 WeakPolarHBondContact CA-O 3.3Å; I102-V208 WeakPolarHBondContact CG2-O 3.34Å; I102-A209 HydrophobicContact CB-CB 4.46Å; I102-A209 HydrophobicContact CG1-CB 3.82Å; I102-A209 HydrophobicContact CG2-CB 4.21Å; I102-L220 HydrophobicContact CG2-CD1 3.93Å
103G98.3Very high96.2Very high0 Ų034 Ų340%019%0.187CC..EExtended strand (participates in β ladder)trans176.3-162.2-176.400000114.2E154 V208G103-E154 CarbonylContact C-O 3.57Å; G103-E154 WeakPolarHBondContact CA-O 3.25Å; G103-V208 PolarHBondContact N-O 3.08Å; G103-V208 PolarHBondContact O-N 3.13Å
104W98.8Very high96.4Very high0 Ų034.2 Ų34.20%018%0.179CC..EExtended strand (participates in β ladder)trans-98.4132-173.9-56.8105.6000112.9L57 A85 A87 Y149 E154 V170 M172 T205 W206 L207 I223L57-W104 HydrophobicContact CD1-CH2 3.67Å; L57-W104 HydrophobicContact CD1-CZ3 4.48Å; A85-W104 HydrophobicContact CB-CE3 4.5Å; A85-W104 HydrophobicContact CB-CH2 3.92Å; A85-W104 HydrophobicContact CB-CZ2 4.01Å; A85-W104 HydrophobicContact CB-CZ3 4.16Å; A87-W104 HydrophobicContact CB-CH2 3.99Å; A87-W104 HydrophobicContact CB-CZ2 3.74Å; W104-Y149 PolarHBondContact O-N 2.85Å; W104-E154 VanDerWaalsContact CD1-O 3.31Å; W104-E154 PolarHBondContact N-O 2.99Å; W104-V170 HydrophobicContact CZ2-CG2 4.25Å; W104-M172 HydrophobicContact CB-CB 4.32Å; W104-M172 HydrophobicContact CB-CG 4.17Å; W104-M172 HydrophobicContact CB-SD 3.49Å; W104-M172 WeakPolarHBondContact CB-SD 3.46Å; W104-M172 HydrophobicContact CD2-CG 4.12Å; W104-M172 HydrophobicContact CD2-SD 4.02Å; W104-M172 HydrophobicContact CE3-SD 4.34Å; W104-M172 HydrophobicContact CG-CB 4.04Å; W104-M172 HydrophobicContact CG-CG 3.78Å; W104-M172 HydrophobicContact CG-SD 3.65Å; W104-T205 HydrophobicContact CE3-CG2 3.9Å; W104-W206 WeakPolarHBondContact CA-O 3.3Å; W104-L207 HydrophobicContact CD2-CD1 4.14Å; W104-L207 HydrophobicContact CE3-CB 3.98Å; W104-L207 HydrophobicContact CE3-CD1 4.13Å; W104-L207 HydrophobicContact CH2-CB 4.06Å; W104-L207 HydrophobicContact CH2-CD1 4.02Å; W104-L207 HydrophobicContact CH2-CD2 4.27Å; W104-L207 HydrophobicContact CH2-CG 4.34Å; W104-L207 HydrophobicContact CZ2-CD1 4.01Å; W104-L207 HydrophobicContact CZ3-CB 3.57Å; W104-L207 HydrophobicContact CZ3-CD1 4.09Å; W104-L207 HydrophobicContact CZ3-CG 4.28Å; W104-I223 HydrophobicContact CH2-CD1 4.26Å; W104-I223 HydrophobicContact CZ3-CD1 3.88Å
105I98.7Very high96.7Very high0 Ų034.2 Ų34.20%018%0.179CC..EExtended strand (participates in β ladder)trans-116.2135.4168-61.4179.6000106.9P147 W148 T205 W206 V208 I210 I263 M268I105-P147 HydrophobicContact CD1-CB 3.88Å; I105-P147 HydrophobicContact CD1-CG 3.34Å; I105-P147 HydrophobicContact CG1-CB 4.24Å; I105-P147 HydrophobicContact CG1-CG 3.94Å; I105-P147 HydrophobicContact CG2-CB 4.33Å; I105-W148 HydrophobicContact CD1-CE3 4.45Å; I105-W148 HydrophobicContact CD1-CZ3 4.26Å; I105-W148 HydrophobicContact CG1-CE3 3.89Å; I105-W148 HydrophobicContact CG1-CZ3 4.03Å; I105-T205 CarbonylContact O-C 3.57Å; I105-T205 VanDerWaalsContact O-CA 3.32Å; I105-T205 WeakPolarHBondContact O-CA 3.48Å; I105-W206 HydrophobicContact CB-CE3 4.46Å; I105-W206 HydrophobicContact CG2-CE3 4.13Å; I105-W206 PolarHBondContact N-O 3.46Å; I105-W206 PolarHBondContact O-N 3.41Å; I105-V208 HydrophobicContact CB-CG2 4.41Å; I105-V208 HydrophobicContact CD1-CB 4.03Å; I105-V208 HydrophobicContact CD1-CG1 4.13Å; I105-V208 HydrophobicContact CD1-CG2 3.9Å; I105-V208 HydrophobicContact CG1-CB 4.45Å; I105-V208 HydrophobicContact CG1-CG2 4.2Å; I105-I210 HydrophobicContact CD1-CD1 4.13Å; I105-I263 HydrophobicContact CD1-CD1 4.04Å; I105-M268 HydrophobicContact CD1-CE 4.28Å; I105-M268 HydrophobicContact CD1-SD 3.85Å
106Q98.7Very high97Very high0 Ų033.9 Ų33.90%017%0.172CC..EExtended strand (participates in β ladder)trans-128.8146.9176.4-178.6165.7-81.400110.2D140 Y149 M172 D174 F203 T204 T205Q106-D140 HydrophobicContact CB-CB 4.19Å; Q106-D140 HydrophobicContact CG-CB 4.04Å; Q106-D140 PolarHBondContact NE2-OD2 2.79Å; Q106-D140 PolarHBondContact O-N 2.82Å; Q106-Y149 HydrophobicContact CB-CD2 3.93Å; Q106-M172 HydrophobicContact CB-CE 4.4Å; Q106-M172 VanDerWaalsContact OE1-CE 3.31Å; Q106-D174 PolarHBondContact NE2-OD2 2.92Å; Q106-F203 HydrophobicContact CG-CB 4.35Å; Q106-F203 HydrophobicContact CG-CD1 4.06Å; Q106-T204 WeakPolarHBondContact CA-O 3.34Å; Q106-T205 PolarHBondContact OE1-OG1 3.29Å
107A98.6Very high97.3Very high0 Ų030.9 Ų30.90%015%0.147CC..EExtended strand (participates in β ladder)trans-140144.5172.300000111.5A137 I138 F203 T204 W206 A267A107-A137 HydrophobicContact CB-CB 3.78Å; A107-I138 CarbonylContact C-O 3.51Å; A107-I138 WeakPolarHBondContact CA-O 3.4Å; A107-I138 VanDerWaalsContact CB-O 3.22Å; A107-I138 WeakPolarHBondContact CB-O 3.38Å; A107-F203 VanDerWaalsContact O-CA 3.3Å; A107-F203 WeakPolarHBondContact O-CA 3.35Å; A107-T204 PolarHBondContact N-O 2.8Å; A107-T204 PolarHBondContact O-N 2.87Å; A107-W206 HydrophobicContact CB-CH2 4.03Å; A107-W206 HydrophobicContact CB-CZ3 3.73Å; A107-A267 HydrophobicContact CB-CB 3.61Å
108C98.5Very high97.6Very high2 Ų223.4 Ų23.41%0.01413%0.126CC..EExtended strand (participates in β ladder)trans-84.2123.5171.6-173.60000109.5H110 L127 A137 I138 F203C108-H110 PolarHBondContact SG-O 2.88Å; C108-L127 HydrophobicContact CB-CD1 4.47Å; C108-A137 CarbonylContact O-C 3.56Å; C108-A137 VanDerWaalsContact O-CA 3.23Å; C108-A137 WeakPolarHBondContact O-CA 3.42Å; C108-I138 HydrophobicContact CB-CG2 3.9Å; C108-I138 PolarHBondContact N-O 3.02Å; C108-I138 PolarHBondContact O-N 2.95Å; C108-F203 HydrophobicContact CB-CD1 4.03Å; C108-F203 HydrophobicContact CB-CE1 3.72Å
109N97.7Very high97.6Very high51 Ų5126.4 Ų26.427%0.27314%0.144SC..EExtended strand (participates in β ladder)trans-100.1-24.7179.9-59.5103.1000112.9A137 S202 F203 T204N109-A137 WeakPolarHBondContact ND2-CB 3.49Å; N109-S202 PolarHBondContact N-O 2.77Å; N109-F203 VanDerWaalsContact OD1-C 3.28Å; N109-T204 WeakPolarHBondContact OD1-CB 3.22Å; N109-T204 PolarHBondContact OD1-N 3Å; N109-T204 PolarHBondContact OD1-OG1 2.84Å
110H97.8Very high97.5Very high72 Ų7231.2 Ų31.233%0.33316%0.162SC..EExtended strand (participates in β ladder)trans-149.4136.7-179.117774.4000109.3C108 M112 Q201 S202C108-H110 PolarHBondContact SG-O 2.88Å; H110-M112 WeakPolarHBondContact NE2-CG 3.46Å; H110-Q201 VanDerWaalsContact O-CA 3.23Å; H110-Q201 WeakPolarHBondContact O-CA 3.39Å; H110-S202 PolarHBondContact N-O 2.86Å; H110-S202 PolarHBondContact O-N 2.91Å
111M97.3Very high97.5Very high31 Ų3131.7 Ų31.715%0.15317%0.169CC..EExtended strand (participates in β ladder)trans-141.1121176.3173.9162.8176.900112.8F113 W125 L127 Q201M111-F113 HydrophobicContact CE-CB 4.12Å; M111-F113 HydrophobicContact CE-CD1 4.4Å; M111-W125 HydrophobicContact CE-CB 3.43Å; M111-W125 VanDerWaalsContact CE-CB 3.43Å; M111-L127 HydrophobicContact CB-CD1 4.03Å; M111-L127 HydrophobicContact CG-CD1 4.43Å; M111-L127 HydrophobicContact SD-CD1 3.58Å; M111-L127 VanDerWaalsContact SD-CD1 3.58Å; M111-L127 HydrophobicContact SD-CG 3.79Å; M111-Q201 HydrophobicContact CB-CG 4.26Å; M111-Q201 HydrophobicContact CG-CG 4.14Å; M111-Q201 VanDerWaalsContact CG-NE2 3.35Å; M111-Q201 PolarHBondContact SD-NE2 2.98Å
112M97.4Very high97.5Very high64 Ų6434.1 Ų34.132%0.31518%0.18SC..EExtended strand (participates in β ladder)trans-123.2128.3159.7-64171.766.900108.1H110 Y114 R199 D200H110-M112 WeakPolarHBondContact NE2-CG 3.46Å; M112-Y114 HydrophobicContact CB-CE2 4.41Å; M112-Y114 HydrophobicContact CE-CD2 4.22Å; M112-Y114 HydrophobicContact CE-CE2 3.41Å; M112-Y114 VanDerWaalsContact CE-CE2 3.41Å; M112-R199 CarbonylContact O-C 3.54Å; M112-R199 VanDerWaalsContact O-CA 3.31Å; M112-R199 WeakPolarHBondContact O-CA 3.31Å; M112-R199 WeakPolarHBondContact O-CG 3.47Å; M112-D200 HydrophobicContact CB-CB 4.14Å; M112-D200 PolarHBondContact N-O 2.89Å; M112-D200 PolarHBondContact O-N 2.89Å
113F97.4Very high97.5Very high10 Ų1034.1 Ų34.14%0.04418%0.18CC..EExtended strand (participates in β ladder)trans-148.1101.3172.2-177-173.1000108.7Y78 M111 N115 S124 W125 P178 V180 I197 Q198 R199Y78-F113 WeakPolarHBondContact OH-CZ 3.2Å; M111-F113 HydrophobicContact CE-CB 4.12Å; M111-F113 HydrophobicContact CE-CD1 4.4Å; F113-N115 WeakPolarHBondContact CE2-OD1 3.4Å; F113-S124 CarbonylContact O-C 3.49Å; F113-S124 WeakPolarHBondContact O-CA 3.49Å; F113-W125 HydrophobicContact CB-CB 4.15Å; F113-W125 HydrophobicContact CD1-CB 3.75Å; F113-W125 AromaticContact CD1-CD1 3.45Å; F113-W125 VanDerWaalsContact CD1-CD1 3.45Å; F113-W125 AromaticContact CD1-CG 3.88Å; F113-W125 HydrophobicContact CD1-CG 3.88Å; F113-W125 AromaticContact CE1-CD1 3.38Å; F113-W125 HydrophobicContact CE1-CG 4.17Å; F113-W125 HydrophobicContact CG-CB 4.23Å; F113-W125 PolarHBondContact O-N 2.85Å; F113-P178 HydrophobicContact CE1-CB 4.38Å; F113-P178 HydrophobicContact CZ-CB 4.29Å; F113-P178 HydrophobicContact CZ-CG 4.21Å; F113-V180 HydrophobicContact CE2-CG2 4.42Å; F113-V180 HydrophobicContact CZ-CG2 4.12Å; F113-I197 HydrophobicContact CD2-CG2 4.39Å; F113-I197 HydrophobicContact CE2-CG2 3.82Å; F113-Q198 CarbonylContact C-O 3.55Å; F113-Q198 WeakPolarHBondContact CA-O 3.39Å; F113-R199 HydrophobicContact CB-CG 4.21Å; F113-R199 HydrophobicContact CD2-CB 4.37Å; F113-R199 HydrophobicContact CD2-CG 4.4Å; F113-R199 HydrophobicContact CG-CG 4.27Å
114Y98.2Very high97.5Very high68 Ų6834.1 Ų34.127%0.26718%0.18SC..EExtended strand (participates in β ladder)trans-117.8138.5-173.5-58.1-30.9000111.5M112 M122 S123 S124 I197 Q198M112-Y114 HydrophobicContact CB-CE2 4.41Å; M112-Y114 HydrophobicContact CE-CD2 4.22Å; M112-Y114 HydrophobicContact CE-CE2 3.41Å; M112-Y114 VanDerWaalsContact CE-CE2 3.41Å; Y114-M122 HydrophobicContact CD1-SD 3.96Å; Y114-M122 HydrophobicContact CD2-SD 4.17Å; Y114-M122 HydrophobicContact CG-SD 3.72Å; Y114-S123 WeakPolarHBondContact CA-O 3.32Å; Y114-S124 VanDerWaalsContact CD1-CB 3.41Å; Y114-I197 CarbonylContact O-C 3.47Å; Y114-I197 WeakPolarHBondContact O-CA 3.46Å; Y114-Q198 PolarHBondContact N-O 2.89Å; Y114-Q198 PolarHBondContact O-N 3.29Å
115N98.4Very high97.5Very high3 Ų336.6 Ų36.62%0.01619%0.189CC..EExtended strand (participates in β ladder)trans-123.2120170.9-44.2-64.1000108F113 Y117 M122 S123 V180 L194 S196F113-N115 WeakPolarHBondContact CE2-OD1 3.4Å; N115-Y117 HydrophobicContact CB-CE2 3.81Å; N115-Y117 WeakPolarHBondContact O-CD2 3.3Å; N115-Y117 WeakPolarHBondContact O-CE2 3.48Å; N115-M122 CarbonylContact O-C 3.47Å; N115-M122 WeakPolarHBondContact O-CA 3.41Å; N115-S123 WeakPolarHBondContact CB-OG 3.41Å; N115-S123 PolarHBondContact N-O 3.39Å; N115-S123 PolarHBondContact ND2-OG 2.86Å; N115-S123 PolarHBondContact O-N 2.91Å; N115-V180 HydrophobicContact CB-CG1 4.03Å; N115-L194 HydrophobicContact CB-CD1 3.88Å; N115-S196 CarbonylContact C-O 3.57Å; N115-S196 WeakPolarHBondContact CA-O 3.34Å
116T98.5Very high97.4Very high45 Ų4537.3 Ų37.328%0.27619%0.193SC..EExtended strand (participates in β ladder)trans-98.2136.9-179.6-56.40000109.9L194 S195 S196T116-L194 WeakPolarHBondContact O-CA 3.4Å; T116-S195 PolarHBondContact O-N 3.01Å; T116-S195 PolarHBondContact O-OG 3.3Å; T116-S196 PolarHBondContact N-O 3.3Å; T116-S196 PolarHBondContact O-N 3.11Å
117Y97.4Very high97.3Very high2 Ų237.6 Ų37.61%0.00819%0.194CC..  trans-117.266-178.1-62.7-95.1000110.9N115 N119 K120 G121 T181 G183 V184 L193 L194 W281N115-Y117 HydrophobicContact CB-CE2 3.81Å; N115-Y117 WeakPolarHBondContact O-CD2 3.3Å; N115-Y117 WeakPolarHBondContact O-CE2 3.48Å; Y117-N119 PolarHBondContact O-N 2.9Å; Y117-K120 WeakPolarHBondContact O-CB 3.26Å; Y117-K120 PolarHBondContact O-N 3.05Å; Y117-G121 PolarHBondContact N-O 3.36Å; Y117-T181 WeakPolarHBondContact CE1-O 3.49Å; Y117-T181 PolarHBondContact OH-O 2.96Å; Y117-T181 PolarHBondContact OH-OG1 3.1Å; Y117-G183 VanDerWaalsContact CE1-C 3.5Å; Y117-G183 WeakPolarHBondContact CE1-O 3.26Å; Y117-V184 HydrophobicContact CD1-CG2 4.26Å; Y117-V184 HydrophobicContact CG-CG2 4.14Å; Y117-L193 CarbonylContact C-O 3.54Å; Y117-L193 WeakPolarHBondContact CA-O 3.49Å; Y117-L193 HydrophobicContact CD1-CB 4.34Å; Y117-L194 HydrophobicContact CD1-CB 4.18Å; Y117-L194 HydrophobicContact CE1-CB 4.07Å; Y117-L194 HydrophobicContact CE1-CD1 4.08Å; Y117-W281 HydrophobicContact CD2-CH2 4.15Å; Y117-W281 AromaticContact CD2-CZ3 3.53Å; Y117-W281 HydrophobicContact CD2-CZ3 3.53Å; Y117-W281 AromaticContact CE2-CZ3 3.99Å; Y117-W281 HydrophobicContact CE2-CZ3 3.99Å; Y117-W281 HydrophobicContact CG-CH2 4.44Å; Y117-W281 HydrophobicContact CG-CZ3 4.21Å
118G94.4Very high97.2Very high40 Ų4039.2 Ų39.241%0.41221%0.205SC..THydrogen-bonded Turntrans50.9-125.7-176.600000111.9L193 S195G118-L193 PolarHBondContact N-O 2.8Å; G118-L193 VanDerWaalsContact N-O 3.15Å; G118-S195 PolarHBondContact N-OG 2.95Å
119N93.4Very high97.1Very high128 Ų12841.6 Ų41.668%0.68422%0.217SC*.THydrogen-bonded Turntrans-87.73179-82-48.2000114.7Y117 K284Y117-N119 PolarHBondContact O-N 2.9Å; N119-K284 WeakPolarHBondContact O-CD 3.2Å; N119-K284 PolarHBondContact OD1-NZ 3.17Å
120K95.5Very high97.1Very high129 Ų12940.1 Ų40.156%0.56121%0.209SC*.SBendtrans-83.1-34.1-177.4-64.1-59.7-173173.60113.1Y117 V184 L193 W281 P283 K284Y117-K120 WeakPolarHBondContact O-CB 3.26Å; Y117-K120 PolarHBondContact O-N 3.05Å; K120-V184 HydrophobicContact CB-CG2 4.04Å; K120-V184 HydrophobicContact CG-CG2 4.34Å; K120-L193 HydrophobicContact CG-CD1 3.9Å; K120-W281 HydrophobicContact CB-CH2 4.31Å; K120-W281 HydrophobicContact CB-CZ2 4.48Å; K120-P283 WeakPolarHBondContact O-CA 3.42Å; K120-K284 PolarHBondContact O-N 3.08Å
121G96.9Very high97Very high13 Ų1343.1 Ų43.113%0.13422%0.218CC..EExtended strand (participates in β ladder)trans146.8-159.1-176.600000112.5Y117 R282Y117-G121 PolarHBondContact N-O 3.36Å; G121-R282 VanDerWaalsContact CA-O 3.28Å; G121-R282 WeakPolarHBondContact CA-O 3.43Å
122M97.9Very high96.9Very high58 Ų5845.5 Ų45.529%0.28623%0.231SC..EExtended strand (participates in β ladder)trans-138.2140.4-175.1158.4172.85500110.5Y114 N115 W281 R282Y114-M122 HydrophobicContact CD1-SD 3.96Å; Y114-M122 HydrophobicContact CD2-SD 4.17Å; Y114-M122 HydrophobicContact CG-SD 3.72Å; N115-M122 CarbonylContact O-C 3.47Å; N115-M122 WeakPolarHBondContact O-CA 3.41Å; M122-W281 VanDerWaalsContact O-CE3 3.28Å; M122-R282 PolarHBondContact N-O 3.33Å; M122-R282 PolarHBondContact O-N 2.87Å
123S98.2Very high96.9Very high1 Ų145.4 Ų45.41%0.00725%0.246CC..EExtended strand (participates in β ladder)trans-102153.8161.4760000110.8Y114 N115 M280Y114-S123 WeakPolarHBondContact CA-O 3.32Å; N115-S123 WeakPolarHBondContact CB-OG 3.41Å; N115-S123 PolarHBondContact N-O 3.39Å; N115-S123 PolarHBondContact ND2-OG 2.86Å; N115-S123 PolarHBondContact O-N 2.91Å; S123-M280 CarbonylContact C-O 3.43Å; S123-M280 WeakPolarHBondContact CA-O 3.42Å; S123-M280 WeakPolarHBondContact CB-O 3.34Å
124S97.9Very high96.8Very high0 Ų051.6 Ų51.60%027%0.273CS..EExtended strand (participates in β ladder)trans-148133.5178.957.70000112.1F113 Y114 E126 M280 R282F113-S124 CarbonylContact O-C 3.49Å; F113-S124 WeakPolarHBondContact O-CA 3.49Å; Y114-S124 VanDerWaalsContact CD1-CB 3.41Å; S124-E126 PolarHBondContact OG-OE1 2.92Å; S124-M280 PolarHBondContact N-O 3.46Å; S124-M280 PolarHBondContact O-N 3.5Å; S124-R282 PolarHBondContact OG-NH1 2.83Å
125W97.8Very high96.8Very high52 Ų5249.3 Ų49.320%0.19727%0.266CS..EExtended strand (participates in β ladder)trans-82.4130.1163.9-73.5100.2000108.7M111 F113 Q277 V278 L279 I292M111-W125 HydrophobicContact CE-CB 3.43Å; M111-W125 VanDerWaalsContact CE-CB 3.43Å; F113-W125 HydrophobicContact CB-CB 4.15Å; F113-W125 HydrophobicContact CD1-CB 3.75Å; F113-W125 AromaticContact CD1-CD1 3.45Å; F113-W125 VanDerWaalsContact CD1-CD1 3.45Å; F113-W125 AromaticContact CD1-CG 3.88Å; F113-W125 HydrophobicContact CD1-CG 3.88Å; F113-W125 AromaticContact CE1-CD1 3.38Å; F113-W125 HydrophobicContact CE1-CG 4.17Å; F113-W125 HydrophobicContact CG-CB 4.23Å; F113-W125 PolarHBondContact O-N 2.85Å; W125-Q277 HydrophobicContact CE3-CB 4.04Å; W125-Q277 HydrophobicContact CE3-CG 3.74Å; W125-Q277 HydrophobicContact CZ3-CB 4.47Å; W125-Q277 HydrophobicContact CZ3-CG 3.77Å; W125-V278 CarbonylContact C-O 3.52Å; W125-V278 WeakPolarHBondContact CA-O 3.4Å; W125-L279 HydrophobicContact CD2-CB 4.18Å; W125-L279 HydrophobicContact CD2-CD1 4.09Å; W125-L279 HydrophobicContact CE3-CB 4.01Å; W125-L279 HydrophobicContact CG-CD1 4.21Å; W125-L279 HydrophobicContact CH2-CB 3.92Å; W125-L279 HydrophobicContact CZ2-CB 4.07Å; W125-L279 HydrophobicContact CZ2-CD1 4.42Å; W125-L279 HydrophobicContact CZ2-CD2 4.27Å; W125-L279 HydrophobicContact CZ2-CG 4.48Å; W125-L279 HydrophobicContact CZ3-CB 3.87Å; W125-I292 HydrophobicContact CH2-CB 4.31Å; W125-I292 HydrophobicContact CH2-CD1 3.69Å; W125-I292 HydrophobicContact CH2-CG2 4.32Å; W125-I292 HydrophobicContact CZ2-CD1 4.05Å
126E97.3Very high96.7Very high14 Ų1456.7 Ų56.77%0.06530%0.3CS..EExtended strand (participates in β ladder)trans-135.6150.7-173.8-60.3-175.2-176.100111.6S124 P128 R131 Q277 V278 M280 R282S124-E126 PolarHBondContact OG-OE1 2.92Å; E126-P128 WeakPolarHBondContact O-CD 3.22Å; E126-R131 IonicContact OE2-CZ 3.56Å; E126-R131 IonicContact OE2-NH1 2.7Å; E126-R131 PolarHBondContact OE2-NH1 2.92Å; E126-Q277 CarbonylContact O-C 3.59Å; E126-Q277 WeakPolarHBondContact O-CA 3.48Å; E126-V278 HydrophobicContact CB-CG2 3.94Å; E126-V278 PolarHBondContact N-O 2.82Å; E126-V278 PolarHBondContact O-N 2.76Å; E126-M280 HydrophobicContact CG-CG 4.4Å; E126-R282 VanDerWaalsContact CD-NH2 3.35Å; E126-R282 IonicContact OE1-CZ 3.46Å; E126-R282 IonicContact OE1-NH1 3.79Å; E126-R282 PolarHBondContact OE1-NH1 3.26Å; E126-R282 IonicContact OE1-NH2 3.74Å; E126-R282 PolarHBondContact OE1-NH2 3.23Å; E126-R282 IonicContact OE2-NH2 2.8Å; E126-R282 PolarHBondContact OE2-NH2 3.43Å
127L97.6Very high96.6Very high7 Ų754.5 Ų54.54%0.03729%0.287CS..  trans-111.892.8168.2-69.2166000106.9C108 M111 D129 L130 R131 I138 A273 A276 Q277C108-L127 HydrophobicContact CB-CD1 4.47Å; M111-L127 HydrophobicContact CB-CD1 4.03Å; M111-L127 HydrophobicContact CG-CD1 4.43Å; M111-L127 HydrophobicContact SD-CD1 3.58Å; M111-L127 VanDerWaalsContact SD-CD1 3.58Å; M111-L127 HydrophobicContact SD-CG 3.79Å; L127-D129 PolarHBondContact O-N 2.95Å; L127-L130 HydrophobicContact CB-CB 3.8Å; L127-L130 HydrophobicContact CB-CD2 4.28Å; L127-L130 HydrophobicContact CD1-CD2 3.75Å; L127-L130 PolarHBondContact O-N 3.04Å; L127-L130 VanDerWaalsContact O-N 3.1Å; L127-R131 WeakPolarHBondContact O-CB 3.03Å; L127-R131 PolarHBondContact O-N 2.84Å; L127-I138 HydrophobicContact CD1-CG2 3.66Å; L127-I138 HydrophobicContact CD2-CD1 4.07Å; L127-I138 HydrophobicContact CD2-CG2 4.29Å; L127-A273 HydrophobicContact CD2-CB 4.43Å; L127-A276 HydrophobicContact CD2-CB 4.01Å; L127-Q277 HydrophobicContact CD2-CB 4.04Å
128P95.8Very high96.6Very high34 Ų3454.9 Ų54.922%0.22129%0.288CS..Hα-helixtrans-56.6-45.4-166.9-2936.4000113.9E126 L130 R131 D132 V278E126-P128 WeakPolarHBondContact O-CD 3.22Å; P128-L130 VanDerWaalsContact C-N 3.31Å; P128-L130 PolarHBondContact O-N 2.79Å; P128-R131 PolarHBondContact O-N 2.89Å; P128-D132 VanDerWaalsContact O-CB 3.28Å; P128-D132 WeakPolarHBondContact O-CB 3.27Å; P128-D132 PolarHBondContact O-N 2.81Å; P128-V278 HydrophobicContact CG-CG1 4.15Å; P128-V278 HydrophobicContact CG-CG2 3.77Å
129D96.2Very high96.8Very high52 Ų5253 Ų5328%0.27827%0.269SS..Hα-helixtrans-68.4-30.8-179.3-72.1-17.1000113L127 G133 K134 I135L127-D129 PolarHBondContact O-N 2.95Å; D129-G133 PolarHBondContact O-N 2.7Å; D129-K134 HydrophobicContact CB-CB 4.25Å; D129-K134 PolarHBondContact O-N 3.16Å; D129-K134 WeakPolarHBondContact OD1-CD 3.38Å; D129-K134 IonicContact OD1-NZ 3.08Å; D129-K134 PolarHBondContact OD1-NZ 2.91Å; D129-I135 HydrophobicContact CB-CD1 4.04Å; D129-I135 HydrophobicContact CB-CG1 4.09Å; D129-I135 HydrophobicContact CB-CG2 4.43Å; D129-I135 PolarHBondContact O-N 2.78Å
130L97.2Very high97Very high20 Ų2047.7 Ų47.711%0.10524%0.241CC..Hα-helixtrans-72.8-45.3173.5-174.367.9000110.7L127 P128 D132 G133 I135L127-L130 HydrophobicContact CB-CB 3.8Å; L127-L130 HydrophobicContact CB-CD2 4.28Å; L127-L130 HydrophobicContact CD1-CD2 3.75Å; L127-L130 PolarHBondContact O-N 3.04Å; L127-L130 VanDerWaalsContact O-N 3.1Å; P128-L130 VanDerWaalsContact C-N 3.31Å; P128-L130 PolarHBondContact O-N 2.79Å; L130-D132 VanDerWaalsContact C-N 3.33Å; L130-D132 PolarHBondContact O-N 2.61Å; L130-G133 PolarHBondContact O-N 2.84Å; L130-I135 HydrophobicContact CB-CD1 4.39Å; L130-I135 HydrophobicContact CB-CG1 4.17Å; L130-I135 HydrophobicContact CD1-CG1 4.24Å
131R95.9Very high97.1Very high134 Ų13441.8 Ų41.851%0.50622%0.215SC..Hα-helixtrans-59.6-43177.4-178.6-160.269-160-3.2111.6E126 L127 P128 G133E126-R131 IonicContact OE2-CZ 3.56Å; E126-R131 IonicContact OE2-NH1 2.7Å; E126-R131 PolarHBondContact OE2-NH1 2.92Å; L127-R131 WeakPolarHBondContact O-CB 3.03Å; L127-R131 PolarHBondContact O-N 2.84Å; P128-R131 PolarHBondContact O-N 2.89Å; R131-G133 PolarHBondContact O-N 3.11Å
132D96.1Very high96.8Very high82 Ų8243.8 Ų43.844%0.43922%0.223SC..THydrogen-bonded Turntrans-82.11-177.8-62-12.5000112.4P128 L130 K134P128-D132 VanDerWaalsContact O-CB 3.28Å; P128-D132 WeakPolarHBondContact O-CB 3.27Å; P128-D132 PolarHBondContact O-N 2.81Å; L130-D132 VanDerWaalsContact C-N 3.33Å; L130-D132 PolarHBondContact O-N 2.61Å; D132-K134 HydrophobicContact CB-CG 4.22Å; D132-K134 PolarHBondContact O-N 3.08Å
133G95.9Very high96.6Very high61 Ų6142.1 Ų42.163%0.62922%0.221SC*.THydrogen-bonded Turntrans69.916178.100000114.5D129 L130 R131 I135D129-G133 PolarHBondContact O-N 2.7Å; L130-G133 PolarHBondContact O-N 2.84Å; R131-G133 PolarHBondContact O-N 3.11Å; G133-I135 VanDerWaalsContact C-N 3.28Å
134K97Very high96.3Very high140 Ų14047.2 Ų47.261%0.60925%0.252SS*.SBendtrans-70.8-29.7175.7-57.2-173.4-154.6150.30111.7D129 D132D129-K134 HydrophobicContact CB-CB 4.25Å; D129-K134 PolarHBondContact O-N 3.16Å; D129-K134 WeakPolarHBondContact OD1-CD 3.38Å; D129-K134 IonicContact OD1-NZ 3.08Å; D129-K134 PolarHBondContact OD1-NZ 2.91Å; D132-K134 HydrophobicContact CB-CG 4.22Å; D132-K134 PolarHBondContact O-N 3.08Å
135I97.1Very high96Very high21 Ų2150.1 Ų50.111%0.10827%0.267CS..  trans-127149.917466.7179.4000109.6D129 L130 G133 I138 N266D129-I135 HydrophobicContact CB-CD1 4.04Å; D129-I135 HydrophobicContact CB-CG1 4.09Å; D129-I135 HydrophobicContact CB-CG2 4.43Å; D129-I135 PolarHBondContact O-N 2.78Å; L130-I135 HydrophobicContact CB-CD1 4.39Å; L130-I135 HydrophobicContact CB-CG1 4.17Å; L130-I135 HydrophobicContact CD1-CG1 4.24Å; G133-I135 VanDerWaalsContact C-N 3.28Å; I135-I138 HydrophobicContact CD1-CB 3.92Å; I135-I138 HydrophobicContact CD1-CD1 4.36Å; I135-I138 HydrophobicContact CD1-CG1 4.36Å; I135-N266 HydrophobicContact CB-CB 4.32Å; I135-N266 HydrophobicContact CG2-CB 4.3Å; I135-N266 VanDerWaalsContact CG2-ND2 3.34Å; I135-N266 WeakPolarHBondContact CG2-ND2 3.29Å
136Q96.1Very high95.9Very high157 Ų15749.8 Ų49.873%0.73427%0.266SS*.SBendtrans-87.1-22.8178.8-64.6179.3-400113.2
137A97.4Very high95.9Very high0 Ų049.7 Ų49.70%027%0.267CS..  trans-158.6154.2179.400000109.1A107 C108 N109 P264 N266A107-A137 HydrophobicContact CB-CB 3.78Å; C108-A137 CarbonylContact O-C 3.56Å; C108-A137 VanDerWaalsContact O-CA 3.23Å; C108-A137 WeakPolarHBondContact O-CA 3.42Å; N109-A137 WeakPolarHBondContact ND2-CB 3.49Å; A137-P264 HydrophobicContact CB-CB 4.37Å; A137-P264 HydrophobicContact CB-CG 4.03Å; A137-N266 VanDerWaalsContact O-CB 3.26Å; A137-N266 WeakPolarHBondContact O-CB 3.41Å
138I97.9Very high95.9Very high9 Ų950.6 Ų50.65%0.04627%0.27CS..EExtended strand (participates in β ladder)trans-118.2141170.4-168.1162.1000110.5A107 C108 L127 I135 D140 P271 A273 A276A107-I138 CarbonylContact C-O 3.51Å; A107-I138 WeakPolarHBondContact CA-O 3.4Å; A107-I138 VanDerWaalsContact CB-O 3.22Å; A107-I138 WeakPolarHBondContact CB-O 3.38Å; C108-I138 HydrophobicContact CB-CG2 3.9Å; C108-I138 PolarHBondContact N-O 3.02Å; C108-I138 PolarHBondContact O-N 2.95Å; L127-I138 HydrophobicContact CD1-CG2 3.66Å; L127-I138 HydrophobicContact CD2-CD1 4.07Å; L127-I138 HydrophobicContact CD2-CG2 4.29Å; I135-I138 HydrophobicContact CD1-CB 3.92Å; I135-I138 HydrophobicContact CD1-CD1 4.36Å; I135-I138 HydrophobicContact CD1-CG1 4.36Å; I138-D140 PolarHBondContact O-N 2.9Å; I138-P271 HydrophobicContact CD1-CG 4.39Å; I138-A273 HydrophobicContact CG2-CB 3.93Å; I138-A276 HydrophobicContact CD1-CB 3.23Å
139S98.1Very high96Very high0 Ų051 Ų510%027%0.267CS..EExtended strand (participates in β ladder)trans-54.7137.4177.7-169.30000111.3S141 N266 A267 N272 A273S139-S141 WeakPolarHBondContact OG-CB 3.5Å; S139-S141 PolarHBondContact OG-N 2.83Å; S139-N266 PolarHBondContact N-O 2.79Å; S139-A267 VanDerWaalsContact CB-O 3.32Å; S139-A267 WeakPolarHBondContact CB-O 3.33Å; S139-A267 PolarHBondContact OG-O 3.22Å; S139-N272 CarbonylContact O-C 3.57Å; S139-N272 WeakPolarHBondContact O-CA 3.35Å; S139-A273 PolarHBondContact O-N 3.04Å
140D97.5Very high96Very high18 Ų1849 Ų4910%0.09626%0.259CS..  trans-111.536.3172.1-160.635.1000110.9Q106 I138 Y149Q106-D140 HydrophobicContact CB-CB 4.19Å; Q106-D140 HydrophobicContact CG-CB 4.04Å; Q106-D140 PolarHBondContact NE2-OD2 2.79Å; Q106-D140 PolarHBondContact O-N 2.82Å; I138-D140 PolarHBondContact O-N 2.9Å; D140-Y149 VanDerWaalsContact O-CD2 3.25Å; D140-Y149 WeakPolarHBondContact O-CD2 3.23Å
141S96.8Very high95.7Very high4 Ų452.4 Ų52.43%0.02828%0.277CS..  trans-67.9158.6179.21740000112.6S139 G143 W148 N272S139-S141 WeakPolarHBondContact OG-CB 3.5Å; S139-S141 PolarHBondContact OG-N 2.83Å; S141-G143 PolarHBondContact O-N 2.89Å; S141-W148 WeakPolarHBondContact CA-O 3.5Å; S141-W148 WeakPolarHBondContact CB-O 3.21Å; S141-W148 PolarHBondContact OG-O 3.42Å; S141-N272 PolarHBondContact O-ND2 3.08Å
142D91.8Very high95.6Very high56 Ų5650.8 Ų50.830%0.29928%0.282SS..  trans-54.1-12.3171.371.4-2.7000114.7V144 N145 W148 Y149D142-V144 VanDerWaalsContact C-N 3.29Å; D142-V144 WeakPolarHBondContact OD1-CA 3.41Å; D142-V144 PolarHBondContact OD1-N 3.18Å; D142-N145 PolarHBondContact OD1-N 3.37Å; D142-N145 PolarHBondContact OD2-ND2 3.38Å; D142-N145 VanDerWaalsContact OD2-ND2 3.13Å; D142-W148 PolarHBondContact N-O 3.3Å; D142-Y149 PolarHBondContact N-O 3.3Å
143G92.3Very high95.6Very high23 Ų2350.1 Ų50.124%0.23728%0.281CS..SBendtrans85.9-1.9179.800000114S141 Y146 N272S141-G143 PolarHBondContact O-N 2.89Å; G143-Y146 WeakPolarHBondContact O-CE2 3.34Å; G143-N272 WeakPolarHBondContact CA-ND2 3.3Å; G143-N272 PolarHBondContact N-ND2 2.91Å
144V92.4Very high95.7Very high108 Ų10847.8 Ų47.866%0.65525%0.254SS*.SBendtrans-116.1-55.3-177.1-175.70000110.3D142D142-V144 VanDerWaalsContact C-N 3.29Å; D142-V144 WeakPolarHBondContact OD1-CA 3.41Å; D142-V144 PolarHBondContact OD1-N 3.18Å
145N92.8Very high95.7Very high61 Ų6142.4 Ų42.433%0.32623%0.232SC..SBendtrans-111.666.9-171.8-56.5-73.3000110.7D142 W148 N151D142-N145 PolarHBondContact OD1-N 3.37Å; D142-N145 PolarHBondContact OD2-ND2 3.38Å; D142-N145 VanDerWaalsContact OD2-ND2 3.13Å; N145-W148 WeakPolarHBondContact O-CB 3.47Å; N145-W148 VanDerWaalsContact O-CD1 3.24Å; N145-W148 PolarHBondContact O-N 3.45Å; N145-N151 PolarHBondContact ND2-ND2 3.21Å
146Y95.2Very high95.7Very high44 Ų4442.3 Ų42.317%0.17323%0.234CC..THydrogen-bonded Turntrans-58.3140.5175.3-71.6-98.8000111G143 V269 K270 N272G143-Y146 WeakPolarHBondContact O-CE2 3.34Å; Y146-V269 WeakPolarHBondContact CE1-O 3.48Å; Y146-K270 HydrophobicContact CD1-CG 4.31Å; Y146-K270 HydrophobicContact CD2-CG 3.79Å; Y146-K270 HydrophobicContact CE1-CB 4.39Å; Y146-K270 HydrophobicContact CE1-CG 3.93Å; Y146-K270 HydrophobicContact CE2-CD 4.15Å; Y146-K270 HydrophobicContact CE2-CG 3.38Å; Y146-K270 HydrophobicContact CG-CG 4.23Å; Y146-K270 VanDerWaalsContact CZ-CG 3.46Å; Y146-N272 HydrophobicContact CE1-CB 4.06Å; Y146-N272 VanDerWaalsContact OH-CB 3.32Å; Y146-N272 WeakPolarHBondContact OH-CB 3.26Å; Y146-N272 PolarHBondContact OH-N 3.26Å
147P97.3Very high95.8Very high12 Ų1238.2 Ų38.28%0.07822%0.22CC..THydrogen-bonded Turncis-95.412.83.840.2-40.3000114.3I105 I210 M268I105-P147 HydrophobicContact CD1-CB 3.88Å; I105-P147 HydrophobicContact CD1-CG 3.34Å; I105-P147 HydrophobicContact CG1-CB 4.24Å; I105-P147 HydrophobicContact CG1-CG 3.94Å; I105-P147 HydrophobicContact CG2-CB 4.33Å; P147-I210 HydrophobicContact CG-CD1 3.89Å; P147-M268 HydrophobicContact CB-CB 4.49Å; P147-M268 HydrophobicContact CB-CE 4.28Å; P147-M268 HydrophobicContact CB-SD 3.94Å; P147-M268 HydrophobicContact CG-CE 3.84Å; P147-M268 HydrophobicContact CG-SD 4.05Å
148W98.1Very high95.7Very high26 Ų2638.6 Ų38.610%0.09822%0.222CC..  trans-72.5140.6-167.7-51.3110.8000111.5T101 I105 S141 D142 N145 G150 T155 V208 I210T101-W148 HydrophobicContact CG2-CD2 4.35Å; T101-W148 HydrophobicContact CG2-CH2 3.91Å; T101-W148 HydrophobicContact CG2-CZ2 3.37Å; T101-W148 WeakPolarHBondContact O-CH2 3.38Å; I105-W148 HydrophobicContact CD1-CE3 4.45Å; I105-W148 HydrophobicContact CD1-CZ3 4.26Å; I105-W148 HydrophobicContact CG1-CE3 3.89Å; I105-W148 HydrophobicContact CG1-CZ3 4.03Å; S141-W148 WeakPolarHBondContact CA-O 3.5Å; S141-W148 WeakPolarHBondContact CB-O 3.21Å; S141-W148 PolarHBondContact OG-O 3.42Å; D142-W148 PolarHBondContact N-O 3.3Å; N145-W148 WeakPolarHBondContact O-CB 3.47Å; N145-W148 VanDerWaalsContact O-CD1 3.24Å; N145-W148 PolarHBondContact O-N 3.45Å; W148-G150 VanDerWaalsContact C-N 3.26Å; W148-G150 WeakPolarHBondContact CB-O 3.32Å; W148-G150 PolarHBondContact O-N 2.84Å; W148-T155 HydrophobicContact CB-CG2 3.9Å; W148-T155 HydrophobicContact CD2-CG2 3.67Å; W148-T155 HydrophobicContact CE3-CG2 3.73Å; W148-T155 HydrophobicContact CG-CG2 3.75Å; W148-V208 HydrophobicContact CZ3-CB 4.47Å; W148-I210 HydrophobicContact CH2-CB 4.09Å; W148-I210 HydrophobicContact CH2-CD1 3.69Å; W148-I210 HydrophobicContact CH2-CG1 3.73Å; W148-I210 HydrophobicContact CZ2-CB 4.01Å; W148-I210 HydrophobicContact CZ2-CD1 3.71Å; W148-I210 HydrophobicContact CZ2-CG1 3.99Å; W148-I210 HydrophobicContact CZ3-CD1 4.49Å
149Y97.8Very high95.7Very high44 Ų4442.6 Ų42.617%0.17325%0.246CC..SBendtrans-61.8-38.2174.5178.9-99.6000111.3W104 Q106 D140 D142 E154 M172 N173 D174W104-Y149 PolarHBondContact O-N 2.85Å; Q106-Y149 HydrophobicContact CB-CD2 3.93Å; D140-Y149 VanDerWaalsContact O-CD2 3.25Å; D140-Y149 WeakPolarHBondContact O-CD2 3.23Å; D142-Y149 PolarHBondContact N-O 3.3Å; Y149-E154 HydrophobicContact CD1-CG 4.03Å; Y149-M172 HydrophobicContact CD1-CB 4.01Å; Y149-M172 HydrophobicContact CD1-CE 3.64Å; Y149-M172 HydrophobicContact CD2-CE 3.89Å; Y149-M172 HydrophobicContact CE1-CB 4.39Å; Y149-M172 HydrophobicContact CE1-CE 3.86Å; Y149-M172 HydrophobicContact CE2-CE 4.08Å; Y149-M172 HydrophobicContact CG-CE 3.67Å; Y149-N173 WeakPolarHBondContact CE1-O 3.42Å; Y149-N173 PolarHBondContact OH-O 3.45Å; Y149-D174 HydrophobicContact CE2-CB 4.36Å; Y149-D174 WeakPolarHBondContact OH-CA 3.37Å; Y149-D174 WeakPolarHBondContact OH-CB 3.17Å; Y149-D174 PolarHBondContact OH-OD1 2.87Å
150G95.1Very high95.5Very high9 Ų943 Ų439%0.09325%0.251CS..  trans-158.2-179.2173.700000110.4W148 E154 T155W148-G150 VanDerWaalsContact C-N 3.26Å; W148-G150 WeakPolarHBondContact CB-O 3.32Å; W148-G150 PolarHBondContact O-N 2.84Å; G150-E154 WeakPolarHBondContact O-CB 3.49Å; G150-T155 WeakPolarHBondContact O-CG2 3.23Å
151N91.3Very high95.3Very high92 Ų9246.8 Ų46.849%0.49228%0.276SS..SBendtrans-129.39.8-172.464.70.1000113.9N145 E154N145-N151 PolarHBondContact ND2-ND2 3.21Å; N151-E154 PolarHBondContact N-OE2 3.4Å
152T93.1Very high95.2Very high99 Ų9948.2 Ų48.261%0.60729%0.285SS*.SBendtrans-99-90.9-17863.30000110.2E154T152-E154 VanDerWaalsContact C-N 3.3Å; T152-E154 WeakPolarHBondContact CA-OE2 3.41Å; T152-E154 PolarHBondContact N-OE2 3.17Å; T152-E154 PolarHBondContact OG1-OE2 2.97Å
153T96.6Very high95.1Very high68 Ų6855.2 Ų55.242%0.41731%0.313SS..SBendtrans-84.6-12175.571.90000112.3T155 V170 S171T153-T155 VanDerWaalsContact C-N 3.32Å; T153-T155 PolarHBondContact O-N 3.25Å; T153-V170 CarbonylContact O-C 3.6Å; T153-V170 VanDerWaalsContact O-CA 3.29Å; T153-V170 WeakPolarHBondContact O-CA 3.22Å; T153-S171 CarbonylContact C-O 3.55Å; T153-S171 WeakPolarHBondContact CB-OG 3.2Å; T153-S171 PolarHBondContact O-N 2.89Å; T153-S171 VanDerWaalsContact O-O 3.12Å; T153-S171 PolarHBondContact OG1-O 3.49Å; T153-S171 PolarHBondContact OG1-OG 2.88Å; T153-S171 VanDerWaalsContact OG1-OG 3.06Å
154E97.8Very high95.2Very high13 Ų1362 Ų626%0.06134%0.336CS..SBendtrans-78.1-20.4-170.5-60.866.1-137.700112.7G103 W104 Y149 G150 N151 T152 S171 M172G103-E154 CarbonylContact C-O 3.57Å; G103-E154 WeakPolarHBondContact CA-O 3.25Å; W104-E154 VanDerWaalsContact CD1-O 3.31Å; W104-E154 PolarHBondContact N-O 2.99Å; Y149-E154 HydrophobicContact CD1-CG 4.03Å; G150-E154 WeakPolarHBondContact O-CB 3.49Å; N151-E154 PolarHBondContact N-OE2 3.4Å; T152-E154 VanDerWaalsContact C-N 3.3Å; T152-E154 WeakPolarHBondContact CA-OE2 3.41Å; T152-E154 PolarHBondContact N-OE2 3.17Å; T152-E154 PolarHBondContact OG1-OE2 2.97Å; E154-S171 WeakPolarHBondContact CA-O 3.1Å; E154-S171 PolarHBondContact N-O 3.1Å; E154-M172 HydrophobicContact CG-CB 3.98Å
155T97.9Very high95.3Very high26 Ų2661.3 Ų61.316%0.1633%0.328CS..EExtended strand (participates in β ladder)trans-138.2152-177.564.90000111.3T101 I102 W148 G150 T153T101-T155 HydrophobicContact CG2-CG2 4.31Å; I102-T155 CarbonylContact O-C 3.55Å; I102-T155 VanDerWaalsContact O-CA 3.27Å; I102-T155 WeakPolarHBondContact O-CA 3.33Å; W148-T155 HydrophobicContact CB-CG2 3.9Å; W148-T155 HydrophobicContact CD2-CG2 3.67Å; W148-T155 HydrophobicContact CE3-CG2 3.73Å; W148-T155 HydrophobicContact CG-CG2 3.75Å; G150-T155 WeakPolarHBondContact O-CG2 3.23Å; T153-T155 VanDerWaalsContact C-N 3.32Å; T153-T155 PolarHBondContact O-N 3.25Å
156C97.3Very high95.4Very high20 Ų2060 Ų6014%0.13532%0.324CS..EExtended strand (participates in β ladder)trans-129.1150.2163.666.80000109.5T101 I102 F168 V170T101-C156 CarbonylContact C-O 3.59Å; T101-C156 WeakPolarHBondContact CA-O 3.27Å; I102-C156 PolarHBondContact N-O 2.66Å; I102-C156 PolarHBondContact O-N 2.83Å; C156-F168 HydrophobicContact CB-CB 4.39Å; C156-F168 HydrophobicContact CB-CD1 4.06Å; C156-F168 HydrophobicContact CB-CG 4.38Å; C156-V170 HydrophobicContact CB-CG1 4.12Å
157T97.1Very high95.5Very high71 Ų7165.4 Ų65.444%0.43635%0.349SS..EExtended strand (participates in β ladder)trans-118.8133.4177.5-64.40000110.4T99 W100 T101 V159T99-T157 HydrophobicContact CG2-CG2 3.5Å; W100-T157 CarbonylContact O-C 3.52Å; W100-T157 WeakPolarHBondContact O-CA 3.46Å; T101-T157 PolarHBondContact OG1-OG1 3.3Å; T101-T157 VanDerWaalsContact OG1-OG1 3.09Å; T157-V159 HydrophobicContact CG2-CG2 4.26Å
158V95.8Very high95.5Very high7 Ų767.5 Ų67.54%0.04236%0.357CS..EExtended strand (participates in β ladder)trans-116119.4177.7-168.80000108.4V91 V94 T99 W100 T162 F168V91-V158 HydrophobicContact CG1-CG2 4.3Å; V94-V158 HydrophobicContact CB-CG1 4.46Å; V94-V158 HydrophobicContact CG2-CB 4.4Å; V94-V158 HydrophobicContact CG2-CG1 3.7Å; T99-V158 WeakPolarHBondContact CA-O 3.42Å; W100-V158 PolarHBondContact N-O 2.88Å; W100-V158 PolarHBondContact O-N 2.84Å; V158-T162 HydrophobicContact CG1-CG2 4.06Å; V158-F168 HydrophobicContact CB-CZ 4.48Å; V158-F168 HydrophobicContact CG1-CZ 4.38Å; V158-F168 HydrophobicContact CG2-CD2 4.19Å; V158-F168 HydrophobicContact CG2-CE1 4.21Å; V158-F168 HydrophobicContact CG2-CE2 3.42Å; V158-F168 VanDerWaalsContact CG2-CE2 3.42Å; V158-F168 HydrophobicContact CG2-CZ 3.44Å; V158-F168 VanDerWaalsContact CG2-CZ 3.44Å
159V96.8Very high95.5Very high93 Ų9369.2 Ų69.256%0.56438%0.376SS*.EExtended strand (participates in β ladder)trans-105.7123.1178.6-176.40000108.6T99 T157 T162T99-V159 HydrophobicContact CG2-CG2 3.93Å; T157-V159 HydrophobicContact CG2-CG2 4.26Å; V159-T162 WeakPolarHBondContact O-CG2 3.25Å
160G93.9Very high95.5Very high10 Ų1067.2 Ų67.210%0.10337%0.368CS..SBendtrans-81162.3175.100000113.2A95 E98A95-G160 WeakPolarHBondContact O-CA 3.19Å; E98-G160 PolarHBondContact O-N 2.9Å
161P94.6Very high95.7Very high97 Ų9768.6 Ų68.663%0.6338%0.377SS*.  cis-80.1137.43.230.6-32.7000112.7V94 A96V94-P161 CarbonylContact O-C 3.55Å; V94-P161 VanDerWaalsContact O-CA 3.24Å; V94-P161 WeakPolarHBondContact O-CA 3.43Å; A96-P161 HydrophobicContact CB-CB 4.1Å; A96-P161 HydrophobicContact CB-CG 4.22Å
162T93.9Very high96Very high34 Ų3464.4 Ų64.421%0.20935%0.354CS..  trans-112.3149.4166.168.50000109.8P93 V94 V158 V159P93-T162 WeakPolarHBondContact CA-OG1 3.1Å; P93-T162 WeakPolarHBondContact CB-O 3.48Å; V94-T162 PolarHBondContact N-OG1 3.44Å; V94-T162 PolarHBondContact O-N 2.97Å; V158-T162 HydrophobicContact CG1-CG2 4.06Å; V159-T162 WeakPolarHBondContact O-CG2 3.25Å
163K90.9Very high96.1Very high202 Ų20262.8 Ų62.888%0.87834%0.342SS*.  trans-102.5-16-172.9-65.2-176.1-179.5179.10114.1
164K92.9Very high96.2Very high167 Ų16760.1 Ų60.173%0.72633%0.325SS*.SBendtrans-141.6156.4-172.6-63.9-175.4-179.8-1790109.4S166K164-S166 PolarHBondContact O-N 3.04Å; K164-S166 PolarHBondContact O-OG 3.02Å
165D94.6Very high96.1Very high93 Ų9361.3 Ų61.350%0.49733%0.332SS..  trans-53.6136.5169.3-618.2000110.1L90 V91 P93L90-D165 HydrophobicContact CD1-CB 3.71Å; L90-D165 HydrophobicContact CD2-CB 4.41Å; L90-D165 HydrophobicContact CG-CB 3.99Å; V91-D165 CarbonylContact O-C 3.54Å; V91-D165 VanDerWaalsContact O-CA 3.25Å; V91-D165 WeakPolarHBondContact O-CA 3.39Å; P93-D165 WeakPolarHBondContact CD-OD1 3.17Å
166S94.4Very high96Very high34 Ų3461 Ų6124%0.23833%0.328CS..EExtended strand (participates in β ladder)trans-120.7134.4-176.8-64.80000109.5V91 K164V91-S166 PolarHBondContact N-O 3.3Å; V91-S166 PolarHBondContact O-N 2.8Å; K164-S166 PolarHBondContact O-N 3.04Å; K164-S166 PolarHBondContact O-OG 3.02Å
167K97.3Very high96Very high157 Ų15765.7 Ų65.768%0.68334%0.344SS*.EExtended strand (participates in β ladder)trans-98.8132.7179.9-70.2179.9-176.9174.80110.3L55 L89 L90L55-K167 HydrophobicContact CD1-CD 4.39Å; L55-K167 HydrophobicContact CD1-CG 4.36Å; L89-K167 VanDerWaalsContact O-CA 3.25Å; L89-K167 WeakPolarHBondContact O-CA 3.46Å; L90-K167 HydrophobicContact CD1-CD 4.43Å; L90-K167 HydrophobicContact CD1-CG 3.56Å
168F97.3Very high95.9Very high56 Ų5663.5 Ų63.525%0.24633%0.331CS..EExtended strand (participates in β ladder)trans-130.4157.1177.2-59.1-82.8000110.7R88 L89 V91 C156 V158R88-F168 CarbonylContact C-O 3.54Å; R88-F168 WeakPolarHBondContact CA-O 3.38Å; L89-F168 PolarHBondContact N-O 2.9Å; L89-F168 PolarHBondContact O-N 3.29Å; V91-F168 HydrophobicContact CB-CD2 4.18Å; V91-F168 HydrophobicContact CB-CE2 3.98Å; V91-F168 HydrophobicContact CG2-CD2 3.59Å; V91-F168 HydrophobicContact CG2-CE2 3.84Å; C156-F168 HydrophobicContact CB-CB 4.39Å; C156-F168 HydrophobicContact CB-CD1 4.06Å; C156-F168 HydrophobicContact CB-CG 4.38Å; V158-F168 HydrophobicContact CB-CZ 4.48Å; V158-F168 HydrophobicContact CG1-CZ 4.38Å; V158-F168 HydrophobicContact CG2-CD2 4.19Å; V158-F168 HydrophobicContact CG2-CE1 4.21Å; V158-F168 HydrophobicContact CG2-CE2 3.42Å; V158-F168 VanDerWaalsContact CG2-CE2 3.42Å; V158-F168 HydrophobicContact CG2-CZ 3.44Å; V158-F168 VanDerWaalsContact CG2-CZ 3.44Å
169A98.3Very high96Very high62 Ų6266.4 Ų66.451%0.51235%0.351SS..EExtended strand (participates in β ladder)trans-126132.8170.200000108.1A87 R88A87-A169 WeakPolarHBondContact O-CA 3.46Å; R88-A169 HydrophobicContact CG-CB 4.42Å
170V98.6Very high96Very high1 Ų162.2 Ų62.21%0.00633%0.326CS..EExtended strand (participates in β ladder)trans-128142.5172.7-67.30000109H86 A87 L89 W104 T153 C156 L207H86-V170 WeakPolarHBondContact CA-O 3.28Å; A87-V170 HydrophobicContact CB-CG2 4.14Å; A87-V170 PolarHBondContact N-O 3.45Å; A87-V170 PolarHBondContact O-N 2.81Å; L89-V170 HydrophobicContact CD1-CG2 4.21Å; W104-V170 HydrophobicContact CZ2-CG2 4.25Å; T153-V170 CarbonylContact O-C 3.6Å; T153-V170 VanDerWaalsContact O-CA 3.29Å; T153-V170 WeakPolarHBondContact O-CA 3.22Å; C156-V170 HydrophobicContact CB-CG1 4.12Å; V170-L207 HydrophobicContact CG2-CD1 3.7Å
171S98.4Very high96.1Very high38 Ų3864 Ų6427%0.26634%0.335SS..EExtended strand (participates in β ladder)trans-141.5148.3179520000111A85 T153 E154A85-S171 CarbonylContact O-C 3.58Å; A85-S171 WeakPolarHBondContact O-CA 3.44Å; T153-S171 CarbonylContact C-O 3.55Å; T153-S171 WeakPolarHBondContact CB-OG 3.2Å; T153-S171 PolarHBondContact O-N 2.89Å; T153-S171 VanDerWaalsContact O-O 3.12Å; T153-S171 PolarHBondContact OG1-O 3.49Å; T153-S171 PolarHBondContact OG1-OG 2.88Å; T153-S171 VanDerWaalsContact OG1-OG 3.06Å; E154-S171 WeakPolarHBondContact CA-O 3.1Å; E154-S171 PolarHBondContact N-O 3.1Å
172M97.8Very high96.2Very high4 Ų459.6 Ų59.62%0.0231%0.306CS..EExtended strand (participates in β ladder)trans-132156.8167.563.9175-69.600109.6F83 R84 A85 W104 Q106 Y149 E154 T205F83-M172 HydrophobicContact CD1-CE 4.27Å; F83-M172 HydrophobicContact CE1-CE 3.94Å; F83-M172 HydrophobicContact CE1-CG 4.47Å; F83-M172 HydrophobicContact CE1-SD 4.14Å; R84-M172 WeakPolarHBondContact CA-O 3.4Å; A85-M172 HydrophobicContact CB-CG 3.89Å; A85-M172 PolarHBondContact N-O 3.09Å; A85-M172 VanDerWaalsContact N-O 3.08Å; A85-M172 PolarHBondContact O-N 2.9Å; W104-M172 HydrophobicContact CB-CB 4.32Å; W104-M172 HydrophobicContact CB-CG 4.17Å; W104-M172 HydrophobicContact CB-SD 3.49Å; W104-M172 WeakPolarHBondContact CB-SD 3.46Å; W104-M172 HydrophobicContact CD2-CG 4.12Å; W104-M172 HydrophobicContact CD2-SD 4.02Å; W104-M172 HydrophobicContact CE3-SD 4.34Å; W104-M172 HydrophobicContact CG-CB 4.04Å; W104-M172 HydrophobicContact CG-CG 3.78Å; W104-M172 HydrophobicContact CG-SD 3.65Å; Q106-M172 HydrophobicContact CB-CE 4.4Å; Q106-M172 VanDerWaalsContact OE1-CE 3.31Å; Y149-M172 HydrophobicContact CD1-CB 4.01Å; Y149-M172 HydrophobicContact CD1-CE 3.64Å; Y149-M172 HydrophobicContact CD2-CE 3.89Å; Y149-M172 HydrophobicContact CE1-CB 4.39Å; Y149-M172 HydrophobicContact CE1-CE 3.86Å; Y149-M172 HydrophobicContact CE2-CE 4.08Å; Y149-M172 HydrophobicContact CG-CE 3.67Å; E154-M172 HydrophobicContact CG-CB 3.98Å; M172-T205 HydrophobicContact CE-CG2 4.27Å; M172-T205 HydrophobicContact SD-CG2 3.41Å; M172-T205 WeakPolarHBondContact SD-CG2 3.46Å
173N96.6Very high96.2Very high65 Ų6558.6 Ų58.635%0.34830%0.302SS..EExtended strand (participates in β ladder)trans-138.9142.8167.970.199.8000109.1H82 F83 R84 Y149H82-N173 PolarHBondContact ND1-OD1 3.28Å; F83-N173 CarbonylContact O-C 3.57Å; F83-N173 WeakPolarHBondContact O-CA 3.34Å; R84-N173 HydrophobicContact CG-CB 4.45Å; Y149-N173 WeakPolarHBondContact CE1-O 3.42Å; Y149-N173 PolarHBondContact OH-O 3.45Å
174D97.2Very high96.4Very high12 Ų1249.7 Ų49.76%0.06427%0.265CS..EExtended strand (participates in β ladder)trans-138.7141.2179.9-17014.2000110.1H82 F83 Q106 Y149 W225H82-D174 CarbonylContact C-O 3.57Å; H82-D174 VanDerWaalsContact CA-O 3.28Å; H82-D174 WeakPolarHBondContact CA-O 3.29Å; F83-D174 HydrophobicContact CB-CB 4.48Å; F83-D174 HydrophobicContact CD1-CB 4.26Å; F83-D174 PolarHBondContact N-O 2.8Å; F83-D174 PolarHBondContact O-N 2.91Å; Q106-D174 PolarHBondContact NE2-OD2 2.92Å; Y149-D174 HydrophobicContact CE2-CB 4.36Å; Y149-D174 WeakPolarHBondContact OH-CA 3.37Å; Y149-D174 WeakPolarHBondContact OH-CB 3.17Å; Y149-D174 PolarHBondContact OH-OD1 2.87Å; D174-W225 HydrophobicContact CB-CH2 4.26Å; D174-W225 HydrophobicContact CB-CZ2 4.18Å; D174-W225 WeakPolarHBondContact OD2-CH2 3.5Å; D174-W225 VanDerWaalsContact OD2-CZ2 3.28Å; D174-W225 WeakPolarHBondContact OD2-CZ2 3.36Å
175N96.6Very high96.2Very high39 Ų3943.5 Ų43.521%0.20924%0.241CC..  trans-156.8167.6171.677-36.6000110.9R79 H82R79-N175 VanDerWaalsContact CG-ND2 3.31Å; R79-N175 WeakPolarHBondContact CG-ND2 2.89Å; H82-N175 PolarHBondContact CE1-ND2 2.88Å; H82-N175 VanDerWaalsContact CE1-ND2 3.34Å; H82-N175 PolarHBondContact CE1-OD1 2.86Å; H82-N175 PolarHBondContact NE2-ND2 2.92Å
176F95.8Very high96Very high19 Ų1941.9 Ų41.98%0.08324%0.235CC..  trans-106.7132176.6-55.1-47.9000112.3R79 T80 F203 W225 M227R79-F176 VanDerWaalsContact CA-O 3.3Å; R79-F176 WeakPolarHBondContact CA-O 3.29Å; T80-F176 HydrophobicContact CG2-CB 3.98Å; T80-F176 HydrophobicContact CG2-CD2 4.07Å; T80-F176 PolarHBondContact N-O 2.77Å; T80-F176 PolarHBondContact OG1-N 2.71Å; F176-F203 HydrophobicContact CE1-CZ 4.12Å; F176-F203 HydrophobicContact CE2-CE2 4.32Å; F176-F203 AromaticContact CZ-CE2 3.6Å; F176-F203 HydrophobicContact CZ-CE2 3.6Å; F176-F203 AromaticContact CZ-CZ 3.51Å; F176-F203 HydrophobicContact CZ-CZ 3.51Å; F176-W225 HydrophobicContact CZ-CH2 4.26Å; F176-M227 HydrophobicContact CD2-CB 4.3Å; F176-M227 HydrophobicContact CD2-CG 3.77Å; F176-M227 HydrophobicContact CE2-CB 3.63Å; F176-M227 HydrophobicContact CE2-CG 3.63Å
177Y96.8Very high95.5Very high119 Ų11943.1 Ų43.147%0.46724%0.243SC..  trans-136.561.1177.3-168.7-128.3000112.6Y78 R79Y78-Y177 WeakPolarHBondContact O-CA 3.47Å; Y78-Y177 WeakPolarHBondContact O-CD2 3.27Å; R79-Y177 HydrophobicContact CB-CD2 3.64Å; R79-Y177 HydrophobicContact CB-CE2 4.09Å; R79-Y177 HydrophobicContact CG-CD2 3.89Å
178P96.1Very high94.6Very high25 Ų2543.8 Ų43.816%0.16226%0.255CS..  trans-82.8165.2-177.635.3-35.3000112.6Y78 F113Y78-P178 HydrophobicContact CD1-CG 4.08Å; Y78-P178 HydrophobicContact CD2-CG 4.25Å; Y78-P178 HydrophobicContact CE1-CG 3.43Å; Y78-P178 VanDerWaalsContact CE1-CG 3.43Å; Y78-P178 HydrophobicContact CE2-CG 3.62Å; Y78-P178 HydrophobicContact CG-CG 4.46Å; Y78-P178 WeakPolarHBondContact O-CD 3.18Å; Y78-P178 WeakPolarHBondContact OH-CG 3.28Å; F113-P178 HydrophobicContact CE1-CB 4.38Å; F113-P178 HydrophobicContact CZ-CB 4.29Å; F113-P178 HydrophobicContact CZ-CG 4.21Å
179S96.6Very high93.8Very high67 Ų6743.7 Ų43.747%0.46926%0.261SS..EExtended strand (participates in β ladder)trans-113130.9166.1-59.90000109.3R77R77-S179 PolarHBondContact NE-OG 2.98Å
180V97.1Very high92.8Very high5 Ų547.9 Ų47.93%0.0327%0.274CS..EExtended strand (participates in β ladder)trans-119.2127.9179-1780000108.9V75 L76 Y78 F113 N115 L194 I197V75-V180 CarbonylContact C-O 3.16Å; V75-V180 WeakPolarHBondContact CA-O 3.48Å; V75-V180 WeakPolarHBondContact CB-O 3.34Å; L76-V180 PolarHBondContact N-O 2.78Å; L76-V180 PolarHBondContact O-N 3.09Å; Y78-V180 HydrophobicContact CE1-CG2 4.25Å; F113-V180 HydrophobicContact CE2-CG2 4.42Å; F113-V180 HydrophobicContact CZ-CG2 4.12Å; N115-V180 HydrophobicContact CB-CG1 4.03Å; V180-L194 HydrophobicContact CG1-CD1 3.98Å; V180-L194 HydrophobicContact CG1-CD2 3.92Å; V180-I197 HydrophobicContact CB-CD1 4.04Å; V180-I197 HydrophobicContact CG1-CD1 4.15Å; V180-I197 HydrophobicContact CG1-CG1 4.33Å; V180-I197 HydrophobicContact CG2-CD1 3.92Å
181T95.8Very high92.4Very high48 Ų4851.5 Ų51.529%0.29430%0.297SS..EExtended strand (participates in β ladder)trans-66.4142.8-179.457.10000111.7V75 Y117 G183V75-T181 HydrophobicContact CG1-CG2 4.27Å; Y117-T181 WeakPolarHBondContact CE1-O 3.49Å; Y117-T181 PolarHBondContact OH-O 2.96Å; Y117-T181 PolarHBondContact OH-OG1 3.1Å; T181-G183 WeakPolarHBondContact CB-O 3.28Å; T181-G183 PolarHBondContact OG1-O 2.93Å
182W96.4Very high92.2Very high5 Ų551.2 Ų51.22%0.01929%0.294CS..SBendtrans-68.6-39.1171.2-61.8119.3000111.9E70 S72 S73 V74 V75 L76 P192 L193 L194 V233 L239 R242E70-W182 HydrophobicContact CB-CH2 4.22Å; E70-W182 HydrophobicContact CB-CZ2 4.08Å; E70-W182 HydrophobicContact CG-CH2 3.87Å; E70-W182 HydrophobicContact CG-CZ2 4.22Å; S72-W182 PolarHBondContact O-NE1 3.31Å; S73-W182 VanDerWaalsContact C-CD1 3.47Å; S73-W182 VanDerWaalsContact O-CD1 3.26Å; V74-W182 VanDerWaalsContact O-CD1 3.28Å; V74-W182 PolarHBondContact O-N 2.77Å; V75-W182 VanDerWaalsContact C-NE1 3.33Å; V75-W182 PolarHBondContact O-NE1 3.48Å; L76-W182 HydrophobicContact CB-CD2 4.49Å; L76-W182 HydrophobicContact CB-CE3 4.28Å; L76-W182 HydrophobicContact CB-CH2 3.61Å; L76-W182 HydrophobicContact CB-CZ2 3.79Å; L76-W182 HydrophobicContact CB-CZ3 3.84Å; L76-W182 HydrophobicContact CD1-CH2 3.66Å; L76-W182 HydrophobicContact CD1-CZ3 3.75Å; L76-W182 HydrophobicContact CG-CH2 3.99Å; L76-W182 HydrophobicContact CG-CZ2 4.49Å; L76-W182 HydrophobicContact CG-CZ3 4.35Å; W182-P192 HydrophobicContact CB-CB 4.02Å; W182-L193 PolarHBondContact O-N 3.06Å; W182-L194 HydrophobicContact CE3-CB 4.42Å; W182-L194 HydrophobicContact CE3-CD2 4.09Å; W182-L194 HydrophobicContact CZ3-CD2 4.35Å; W182-L194 WeakPolarHBondContact O-CB 3.47Å; W182-L194 PolarHBondContact O-N 2.8Å; W182-V233 HydrophobicContact CE3-CG1 4.39Å; W182-V233 HydrophobicContact CZ3-CG1 3.82Å; W182-L239 HydrophobicContact CZ2-CD1 3.69Å; W182-R242 HydrophobicContact CH2-CB 4.47Å; W182-R242 HydrophobicContact CZ3-CB 4.35Å
183G94.9Very high92.2Very high12 Ų1253.4 Ų53.412%0.12431%0.305CS..SBendtrans-89.8166177.800000113Y117 T181 V191Y117-G183 VanDerWaalsContact CE1-C 3.5Å; Y117-G183 WeakPolarHBondContact CE1-O 3.26Å; T181-G183 WeakPolarHBondContact CB-O 3.28Å; T181-G183 PolarHBondContact OG1-O 2.93Å; G183-V191 WeakPolarHBondContact CA-O 3.48Å
184V94.2Very high92.3Very high16 Ų1650.3 Ų50.310%0.09729%0.289CS..  trans-59.3128.3175.51700000109.4Y117 K120 V186 S187 L193 W281Y117-V184 HydrophobicContact CD1-CG2 4.26Å; Y117-V184 HydrophobicContact CG-CG2 4.14Å; K120-V184 HydrophobicContact CB-CG2 4.04Å; K120-V184 HydrophobicContact CG-CG2 4.34Å; V184-V186 HydrophobicContact CG1-CG2 3.74Å; V184-V186 PolarHBondContact O-N 3.25Å; V184-S187 PolarHBondContact O-N 3.2Å; V184-L193 HydrophobicContact CG2-CD1 4.1Å; V184-W281 HydrophobicContact CB-CH2 4.27Å; V184-W281 HydrophobicContact CB-CZ2 4.5Å; V184-W281 HydrophobicContact CG1-CD2 4.17Å; V184-W281 HydrophobicContact CG1-CE3 4.25Å; V184-W281 HydrophobicContact CG1-CH2 3.59Å; V184-W281 HydrophobicContact CG1-CZ2 3.46Å; V184-W281 VanDerWaalsContact CG1-CZ2 3.46Å; V184-W281 HydrophobicContact CG1-CZ3 3.98Å; V184-W281 HydrophobicContact CG2-CH2 3.79Å; V184-W281 HydrophobicContact CG2-CZ2 4.22Å; V184-W281 HydrophobicContact CG2-CZ3 4.46Å
185P89.8Confident92.3Very high36 Ų3651.1 Ų51.123%0.23430%0.295CS..THydrogen-bonded Turntrans-67.5-10.1-168.126.5-36.9000115.3W281 V291P185-W281 HydrophobicContact CG-CE3 3.97Å; P185-V291 HydrophobicContact CB-CG1 4.42Å
186V89.6Confident92.4Very high59 Ų5950 Ų5036%0.35829%0.29SS..THydrogen-bonded Turntrans-111.56.6178.5-60.90000113V184 W281 M289 V291V184-V186 HydrophobicContact CG1-CG2 3.74Å; V184-V186 PolarHBondContact O-N 3.25Å; V186-W281 HydrophobicContact CG1-CB 4.08Å; V186-W281 HydrophobicContact CG1-CG 4.21Å; V186-W281 HydrophobicContact CG2-CD2 4.25Å; V186-W281 HydrophobicContact CG2-CG 3.92Å; V186-M289 HydrophobicContact CB-SD 4.18Å; V186-M289 HydrophobicContact CG1-CE 4.4Å; V186-M289 HydrophobicContact CG1-CG 4.4Å; V186-M289 HydrophobicContact CG1-SD 3.81Å; V186-M289 HydrophobicContact CG2-SD 4.14Å; V186-V291 HydrophobicContact CG1-CB 4.3Å; V186-V291 HydrophobicContact CG1-CG1 4Å; V186-V291 HydrophobicContact CG1-CG2 3.45Å; V186-V291 VanDerWaalsContact CG1-CG2 3.45Å
187S84.5Confident92.5Very high60 Ų6049.1 Ų49.142%0.4229%0.286SS..  trans-105.7141.2-177.5-173.70000111.1V184 S189V184-S187 PolarHBondContact O-N 3.2Å; S187-S189 PolarHBondContact O-N 3.46Å; S187-S189 VanDerWaalsContact OG-CB 3.3Å; S187-S189 WeakPolarHBondContact OG-CB 3.39Å; S187-S189 PolarHBondContact OG-N 2.84Å
188D77.4Confident92.6Very high172 Ų17247.5 Ų47.592%0.9228%0.283SS*.SBendtrans-74.32168.9-57.3-42.5000113
189S80.9Confident92.7Very high53 Ų5347.4 Ų47.437%0.37128%0.28SS..  trans-87.9128.5-179.6-172.30000111.8S187 V191S187-S189 PolarHBondContact O-N 3.46Å; S187-S189 VanDerWaalsContact OG-CB 3.3Å; S187-S189 WeakPolarHBondContact OG-CB 3.39Å; S187-S189 PolarHBondContact OG-N 2.84Å; S189-V191 PolarHBondContact O-N 2.8Å; S189-V191 WeakPolarHBondContact OG-CG2 3.4Å; S189-V191 PolarHBondContact OG-N 2.93Å
190N77.5Confident92.7Very high150 Ų15045.5 Ų45.580%0.80226%0.264SS*.  trans-85.412.4173.7-68.1-33.4000113.5P192N190-P192 WeakPolarHBondContact O-CD 3.22Å
191V90.9Very high92.8Very high78 Ų7845.6 Ų45.647%0.47326%0.264SS..  trans-67.7124.6177.6176.90000109.5G183 S189 L193G183-V191 WeakPolarHBondContact CA-O 3.48Å; S189-V191 PolarHBondContact O-N 2.8Å; S189-V191 WeakPolarHBondContact OG-CG2 3.4Å; S189-V191 PolarHBondContact OG-N 2.93Å; V191-L193 HydrophobicContact CG1-CD2 4.11Å; V191-L193 HydrophobicContact CG1-CG 4.12Å; V191-L193 PolarHBondContact O-N 2.97Å
192P94.7Very high92.9Very high32 Ų3244.7 Ų44.721%0.20826%0.26CS..  trans-68.6123.5176.729.8-34.6000109.5W182 N190 P235 R242W182-P192 HydrophobicContact CB-CB 4.02Å; N190-P192 WeakPolarHBondContact O-CD 3.22Å; P192-P235 HydrophobicContact CB-CB 4.21Å; P192-P235 WeakPolarHBondContact O-CB 3.42Å; P192-R242 VanDerWaalsContact CB-NH1 3.33Å
193L96.9Very high93Very high49 Ų4944.7 Ų44.726%0.25726%0.26SS..  trans-133.2-11.4-178.1-68.3173.7000113Y117 G118 K120 W182 V184 V191 S195Y117-L193 CarbonylContact C-O 3.54Å; Y117-L193 WeakPolarHBondContact CA-O 3.49Å; Y117-L193 HydrophobicContact CD1-CB 4.34Å; G118-L193 PolarHBondContact N-O 2.8Å; G118-L193 VanDerWaalsContact N-O 3.15Å; K120-L193 HydrophobicContact CG-CD1 3.9Å; W182-L193 PolarHBondContact O-N 3.06Å; V184-L193 HydrophobicContact CG2-CD1 4.1Å; V191-L193 HydrophobicContact CG1-CD2 4.11Å; V191-L193 HydrophobicContact CG1-CG 4.12Å; V191-L193 PolarHBondContact O-N 2.97Å; L193-S195 PolarHBondContact O-N 3.28Å
194L98.1Very high93.2Very high1 Ų144.3 Ų44.31%0.00526%0.256CS..  trans-54125.2175-178.269.5000109.6L76 N115 T116 Y117 V180 W182 I197 V233L76-L194 HydrophobicContact CB-CD2 4.39Å; N115-L194 HydrophobicContact CB-CD1 3.88Å; T116-L194 WeakPolarHBondContact O-CA 3.4Å; Y117-L194 HydrophobicContact CD1-CB 4.18Å; Y117-L194 HydrophobicContact CE1-CB 4.07Å; Y117-L194 HydrophobicContact CE1-CD1 4.08Å; V180-L194 HydrophobicContact CG1-CD1 3.98Å; V180-L194 HydrophobicContact CG1-CD2 3.92Å; W182-L194 HydrophobicContact CE3-CB 4.42Å; W182-L194 HydrophobicContact CE3-CD2 4.09Å; W182-L194 HydrophobicContact CZ3-CD2 4.35Å; W182-L194 WeakPolarHBondContact O-CB 3.47Å; W182-L194 PolarHBondContact O-N 2.8Å; L194-I197 HydrophobicContact CD1-CG1 4.09Å; L194-I197 HydrophobicContact CD2-CD1 4.07Å; L194-I197 HydrophobicContact CD2-CG1 4.2Å; L194-V233 HydrophobicContact CD2-CG2 4.11Å; L194-V233 HydrophobicContact CG-CB 4.4Å; L194-V233 HydrophobicContact CG-CG1 4.49Å; L194-V233 HydrophobicContact CG-CG2 4.15Å; L194-V233 WeakPolarHBondContact O-CB 3.33Å; L194-V233 WeakPolarHBondContact O-CG1 3.14Å
195S98.3Very high93.4Very high29 Ų2943.6 Ų43.620%0.20325%0.251CS..  trans-124.1-20.5-175.763.70000113.4T116 G118 L193 V233T116-S195 PolarHBondContact O-N 3.01Å; T116-S195 PolarHBondContact O-OG 3.3Å; G118-S195 PolarHBondContact N-OG 2.95Å; L193-S195 PolarHBondContact O-N 3.28Å; S195-V233 CarbonylContact C-O 3.52Å; S195-V233 VanDerWaalsContact CA-O 3.3Å; S195-V233 WeakPolarHBondContact CA-O 3.44Å; S195-V233 PolarHBondContact O-N 2.8Å; S195-V233 VanDerWaalsContact O-O 3.1Å
196S98.4Very high93.8Very high15 Ų1542 Ų4211%0.10524%0.24CC..EExtended strand (participates in β ladder)trans-158.5144175.9178.70000111.1N115 T116 H230 I231N115-S196 CarbonylContact C-O 3.57Å; N115-S196 WeakPolarHBondContact CA-O 3.34Å; T116-S196 PolarHBondContact N-O 3.3Å; T116-S196 PolarHBondContact O-N 3.11Å; S196-H230 PolarHBondContact OG-CD2 3.41Å; S196-H230 PolarHBondContact OG-NE2 3.34Å; S196-H230 VanDerWaalsContact OG-NE2 3.12Å; S196-I231 CarbonylContact C-O 3.59Å; S196-I231 VanDerWaalsContact CA-O 3.32Å; S196-I231 WeakPolarHBondContact CA-O 3.3Å
197I98.6Very high94.3Very high0 Ų039.2 Ų39.20%022%0.223CC..EExtended strand (participates in β ladder)trans-119.9125.5165-57.7167.7000107.5L76 Y78 F113 Y114 V180 L194 L229 H230 I231L76-I197 HydrophobicContact CD1-CD1 4.42Å; L76-I197 HydrophobicContact CD2-CD1 3.75Å; Y78-I197 HydrophobicContact CD1-CD1 4.31Å; Y78-I197 HydrophobicContact CE1-CD1 4.24Å; Y78-I197 HydrophobicContact CE1-CG2 4.07Å; F113-I197 HydrophobicContact CD2-CG2 4.39Å; F113-I197 HydrophobicContact CE2-CG2 3.82Å; Y114-I197 CarbonylContact O-C 3.47Å; Y114-I197 WeakPolarHBondContact O-CA 3.46Å; V180-I197 HydrophobicContact CB-CD1 4.04Å; V180-I197 HydrophobicContact CG1-CD1 4.15Å; V180-I197 HydrophobicContact CG1-CG1 4.33Å; V180-I197 HydrophobicContact CG2-CD1 3.92Å; L194-I197 HydrophobicContact CD1-CG1 4.09Å; L194-I197 HydrophobicContact CD2-CD1 4.07Å; L194-I197 HydrophobicContact CD2-CG1 4.2Å; I197-L229 HydrophobicContact CG2-CD1 4.08Å; I197-H230 CarbonylContact O-C 3.49Å; I197-H230 WeakPolarHBondContact O-CA 3.46Å; I197-I231 HydrophobicContact CB-CB 4.21Å; I197-I231 HydrophobicContact CD1-CD1 4.36Å; I197-I231 PolarHBondContact N-O 3.06Å; I197-I231 PolarHBondContact O-N 2.8Å
198Q98.3Very high94.9Very high85 Ų8536.3 Ų36.340%0.39720%0.203SC..EExtended strand (participates in β ladder)trans-121.5132.2173.1-69.4-176.4-14.400109.4F113 Y114 L229F113-Q198 CarbonylContact C-O 3.55Å; F113-Q198 WeakPolarHBondContact CA-O 3.39Å; Y114-Q198 PolarHBondContact N-O 2.89Å; Y114-Q198 PolarHBondContact O-N 3.29Å; Q198-L229 WeakPolarHBondContact CA-O 3.33Å
199R97.7Very high95.9Very high23 Ų2328.1 Ų28.19%0.08716%0.16CC..EExtended strand (participates in β ladder)trans-137.2140.1173.8-166175.7178.9179.6-4.7111M112 F113 Q201 R228 L229M112-R199 CarbonylContact O-C 3.54Å; M112-R199 VanDerWaalsContact O-CA 3.31Å; M112-R199 WeakPolarHBondContact O-CA 3.31Å; M112-R199 WeakPolarHBondContact O-CG 3.47Å; F113-R199 HydrophobicContact CB-CG 4.21Å; F113-R199 HydrophobicContact CD2-CB 4.37Å; F113-R199 HydrophobicContact CD2-CG 4.4Å; F113-R199 HydrophobicContact CG-CG 4.27Å; R199-Q201 HydrophobicContact CG-CG 4.11Å; R199-Q201 VanDerWaalsContact NE-NE2 3.13Å; R199-Q201 VanDerWaalsContact NH2-CD 3.27Å; R199-R228 CarbonylContact O-C 3.52Å; R199-R228 VanDerWaalsContact O-CA 3.27Å; R199-R228 WeakPolarHBondContact O-CA 3.38Å; R199-L229 HydrophobicContact CB-CD1 4.34Å; R199-L229 HydrophobicContact CB-CD2 3.84Å; R199-L229 HydrophobicContact CB-CG 3.74Å; R199-L229 PolarHBondContact N-O 3.33Å; R199-L229 PolarHBondContact O-N 2.75Å
200D97.8Very high96.7Very high27 Ų2726.6 Ų26.614%0.14415%0.147CC..EExtended strand (participates in β ladder)trans-148.7111.8175.7-165.3-29000108.7M112 R226 M227 R228M112-D200 HydrophobicContact CB-CB 4.14Å; M112-D200 PolarHBondContact N-O 2.89Å; M112-D200 PolarHBondContact O-N 2.89Å; D200-R226 IonicContact OD1-CZ 2.67Å; D200-R226 VanDerWaalsContact OD1-CZ 3.28Å; D200-R226 IonicContact OD1-NE 3.51Å; D200-R226 PolarHBondContact OD1-NE 2.88Å; D200-R226 IonicContact OD1-NH2 2.7Å; D200-R226 PolarHBondContact OD1-NH2 2.83Å; D200-R226 VanDerWaalsContact OD1-NH2 3.08Å; D200-R226 IonicContact OD2-CZ 3.08Å; D200-R226 IonicContact OD2-NE 3.18Å; D200-R226 IonicContact OD2-NH2 3.44Å; D200-R226 PolarHBondContact OD2-NH2 3.01Å; D200-M227 WeakPolarHBondContact CA-O 3.36Å; D200-R228 HydrophobicContact CB-CG 4.3Å
201Q97.7Very high97.6Very high7 Ų719.7 Ų19.73%0.03311%0.11CC..EExtended strand (participates in β ladder)trans-136.2135.1-179.2-63-170.1-12.600111H110 M111 R199 F203 R226 M227H110-Q201 VanDerWaalsContact O-CA 3.23Å; H110-Q201 WeakPolarHBondContact O-CA 3.39Å; M111-Q201 HydrophobicContact CB-CG 4.26Å; M111-Q201 HydrophobicContact CG-CG 4.14Å; M111-Q201 VanDerWaalsContact CG-NE2 3.35Å; M111-Q201 PolarHBondContact SD-NE2 2.98Å; R199-Q201 HydrophobicContact CG-CG 4.11Å; R199-Q201 VanDerWaalsContact NE-NE2 3.13Å; R199-Q201 VanDerWaalsContact NH2-CD 3.27Å; Q201-F203 HydrophobicContact CB-CE2 3.54Å; Q201-F203 HydrophobicContact CB-CZ 3.87Å; Q201-R226 CarbonylContact O-C 3.52Å; Q201-R226 VanDerWaalsContact O-CA 3.26Å; Q201-R226 WeakPolarHBondContact O-CA 3.41Å; Q201-R226 VanDerWaalsContact O-CG 3.26Å; Q201-R226 WeakPolarHBondContact O-CG 3.44Å; Q201-M227 PolarHBondContact N-O 3.3Å; Q201-M227 PolarHBondContact O-N 2.93Å
202S98.4Very high97.8Very high30 Ų3021.2 Ų21.221%0.2111%0.112CC..EExtended strand (participates in β ladder)trans-117.7141.1177.9-55.40000110.4N109 H110 R226N109-S202 PolarHBondContact N-O 2.77Å; H110-S202 PolarHBondContact N-O 2.86Å; H110-S202 PolarHBondContact O-N 2.91Å; S202-R226 WeakPolarHBondContact OG-CG 3.36Å
203F98.7Very high97.8Very high5 Ų523.6 Ų23.62%0.02213%0.134CC..EExtended strand (participates in β ladder)trans-131.3149.7-175.1-61.2-91.4000111Q106 A107 C108 N109 F176 Q201 R224 W225Q106-F203 HydrophobicContact CG-CB 4.35Å; Q106-F203 HydrophobicContact CG-CD1 4.06Å; A107-F203 VanDerWaalsContact O-CA 3.3Å; A107-F203 WeakPolarHBondContact O-CA 3.35Å; C108-F203 HydrophobicContact CB-CD1 4.03Å; C108-F203 HydrophobicContact CB-CE1 3.72Å; N109-F203 VanDerWaalsContact OD1-C 3.28Å; F176-F203 HydrophobicContact CE1-CZ 4.12Å; F176-F203 HydrophobicContact CE2-CE2 4.32Å; F176-F203 AromaticContact CZ-CE2 3.6Å; F176-F203 HydrophobicContact CZ-CE2 3.6Å; F176-F203 AromaticContact CZ-CZ 3.51Å; F176-F203 HydrophobicContact CZ-CZ 3.51Å; Q201-F203 HydrophobicContact CB-CE2 3.54Å; Q201-F203 HydrophobicContact CB-CZ 3.87Å; F203-R224 WeakPolarHBondContact O-CA 3.22Å; F203-W225 HydrophobicContact CB-CD2 4.08Å; F203-W225 HydrophobicContact CB-CG 4.23Å; F203-W225 HydrophobicContact CB-CZ2 3.96Å; F203-W225 VanDerWaalsContact CB-NE1 3.35Å; F203-W225 HydrophobicContact CD1-CZ2 4.22Å; F203-W225 HydrophobicContact CD2-CD2 4Å; F203-W225 AromaticContact CD2-CE2 3.73Å; F203-W225 HydrophobicContact CD2-CE3 4.07Å; F203-W225 AromaticContact CD2-CH2 3.63Å; F203-W225 HydrophobicContact CD2-CH2 3.63Å; F203-W225 AromaticContact CD2-CZ2 3.55Å; F203-W225 HydrophobicContact CD2-CZ2 3.55Å; F203-W225 AromaticContact CD2-CZ3 3.9Å; F203-W225 HydrophobicContact CD2-CZ3 3.9Å; F203-W225 AromaticContact CE2-CH2 3.81Å; F203-W225 HydrophobicContact CE2-CH2 3.81Å; F203-W225 HydrophobicContact CE2-CZ2 4.11Å; F203-W225 HydrophobicContact CE2-CZ3 4.15Å; F203-W225 HydrophobicContact CG-CD2 4.35Å; F203-W225 AromaticContact CG-CE2 3.72Å; F203-W225 HydrophobicContact CG-CH2 4.19Å; F203-W225 AromaticContact CG-CZ2 3.63Å; F203-W225 HydrophobicContact CG-CZ2 3.63Å; F203-W225 HydrophobicContact CZ-CH2 4.47Å; F203-W225 PolarHBondContact N-O 2.97Å; F203-W225 PolarHBondContact O-N 2.86Å; F203-W225 VanDerWaalsContact O-N 3.11Å
204T98.8Very high97.6Very high4 Ų425.6 Ų25.63%0.02515%0.148CC..EExtended strand (participates in β ladder)trans-117.5130.3164.7-53.60000107.9Q106 A107 N109 W206 T222 I223Q106-T204 WeakPolarHBondContact CA-O 3.34Å; A107-T204 PolarHBondContact N-O 2.8Å; A107-T204 PolarHBondContact O-N 2.87Å; N109-T204 WeakPolarHBondContact OD1-CB 3.22Å; N109-T204 PolarHBondContact OD1-N 3Å; N109-T204 PolarHBondContact OD1-OG1 2.84Å; T204-W206 HydrophobicContact CG2-CD2 4.02Å; T204-W206 VanDerWaalsContact CG2-CE2 3.47Å; T204-W206 HydrophobicContact CG2-CE3 4.34Å; T204-W206 HydrophobicContact CG2-CH2 3.68Å; T204-W206 HydrophobicContact CG2-CZ2 3.29Å; T204-W206 HydrophobicContact CG2-CZ3 4.19Å; T204-W206 WeakPolarHBondContact O-CZ3 3.41Å; T204-T222 HydrophobicContact CG2-CG2 3.6Å; T204-I223 WeakPolarHBondContact CA-O 3.39Å
205T98.8Very high97.4Very high0 Ų029.7 Ų29.70%018%0.177CC..EExtended strand (participates in β ladder)trans-120.9131.1-179.3-53.90000108.4W104 I105 Q106 M172 I223 W225W104-T205 HydrophobicContact CE3-CG2 3.9Å; I105-T205 CarbonylContact O-C 3.57Å; I105-T205 VanDerWaalsContact O-CA 3.32Å; I105-T205 WeakPolarHBondContact O-CA 3.48Å; Q106-T205 PolarHBondContact OE1-OG1 3.29Å; M172-T205 HydrophobicContact CE-CG2 4.27Å; M172-T205 HydrophobicContact SD-CG2 3.41Å; M172-T205 WeakPolarHBondContact SD-CG2 3.46Å; T205-I223 PolarHBondContact N-O 2.79Å; T205-I223 PolarHBondContact O-N 2.65Å; T205-W225 PolarHBondContact OG1-NE1 3.31Å; T205-W225 VanDerWaalsContact OG1-NE1 3.16Å
206W98.8Very high97.3Very high3 Ų332.2 Ų32.21%0.01119%0.186CC..EExtended strand (participates in β ladder)trans-116.8136.6179.3-59.1-96.8000110.5W104 I105 A107 T204 V208 R221 E261 I263 A267W104-W206 WeakPolarHBondContact CA-O 3.3Å; I105-W206 HydrophobicContact CB-CE3 4.46Å; I105-W206 HydrophobicContact CG2-CE3 4.13Å; I105-W206 PolarHBondContact N-O 3.46Å; I105-W206 PolarHBondContact O-N 3.41Å; A107-W206 HydrophobicContact CB-CH2 4.03Å; A107-W206 HydrophobicContact CB-CZ3 3.73Å; T204-W206 HydrophobicContact CG2-CD2 4.02Å; T204-W206 VanDerWaalsContact CG2-CE2 3.47Å; T204-W206 HydrophobicContact CG2-CE3 4.34Å; T204-W206 HydrophobicContact CG2-CH2 3.68Å; T204-W206 HydrophobicContact CG2-CZ2 3.29Å; T204-W206 HydrophobicContact CG2-CZ3 4.19Å; T204-W206 WeakPolarHBondContact O-CZ3 3.41Å; W206-V208 HydrophobicContact CB-CG2 3.38Å; W206-R221 WeakPolarHBondContact CA-O 3.41Å; W206-E261 PolarHBondContact NE1-O 3.15Å; W206-E261 VanDerWaalsContact NE1-O 3.09Å; W206-I263 HydrophobicContact CB-CD1 4.44Å; W206-I263 HydrophobicContact CB-CG1 4.43Å; W206-I263 HydrophobicContact CD2-CG1 3.89Å; W206-I263 HydrophobicContact CD2-CG2 4.49Å; W206-I263 HydrophobicContact CE3-CG1 4.45Å; W206-I263 HydrophobicContact CE3-CG2 4.32Å; W206-I263 HydrophobicContact CG-CD1 4.4Å; W206-I263 HydrophobicContact CG-CG1 3.87Å; W206-I263 HydrophobicContact CH2-CG2 4.36Å; W206-I263 HydrophobicContact CZ3-CG2 4.26Å; W206-A267 HydrophobicContact CZ3-CB 4.4Å
207L98.8Very high97.2Very high0 Ų034.5 Ų34.50%020%0.199CC..EExtended strand (participates in β ladder)trans-87.9120.4160.6-175.560.5000107.8V54 A87 L89 W104 V170 L220 R221V54-L207 HydrophobicContact CG1-CD2 4.39Å; V54-L207 HydrophobicContact CG2-CD2 4.09Å; A87-L207 HydrophobicContact CB-CD1 4.26Å; A87-L207 HydrophobicContact CB-CD2 3.53Å; L89-L207 HydrophobicContact CD2-CD2 3.98Å; W104-L207 HydrophobicContact CD2-CD1 4.14Å; W104-L207 HydrophobicContact CE3-CB 3.98Å; W104-L207 HydrophobicContact CE3-CD1 4.13Å; W104-L207 HydrophobicContact CH2-CB 4.06Å; W104-L207 HydrophobicContact CH2-CD1 4.02Å; W104-L207 HydrophobicContact CH2-CD2 4.27Å; W104-L207 HydrophobicContact CH2-CG 4.34Å; W104-L207 HydrophobicContact CZ2-CD1 4.01Å; W104-L207 HydrophobicContact CZ3-CB 3.57Å; W104-L207 HydrophobicContact CZ3-CD1 4.09Å; W104-L207 HydrophobicContact CZ3-CG 4.28Å; V170-L207 HydrophobicContact CG2-CD1 3.7Å; L207-L220 HydrophobicContact CB-CB 4.35Å; L207-L220 HydrophobicContact CD2-CB 4.28Å; L207-L220 HydrophobicContact CD2-CD1 4.46Å; L207-L220 HydrophobicContact CG-CB 4.15Å; L207-L220 HydrophobicContact CG-CD1 4.16Å; L207-L220 WeakPolarHBondContact O-CB 3.46Å; L207-L220 PolarHBondContact O-N 2.66Å; L207-R221 HydrophobicContact CB-CB 4.11Å; L207-R221 PolarHBondContact N-O 3.18Å; L207-R221 PolarHBondContact O-N 2.71Å
208V98.3Very high97Very high0 Ų034.8 Ų34.80%020%0.201CC..EExtended strand (participates in β ladder)trans-136.8141.8-165-171.60000110.6I102 G103 I105 W148 W206 I210 T217 V218 I263I102-V208 CarbonylContact C-O 3.56Å; I102-V208 WeakPolarHBondContact CA-O 3.3Å; I102-V208 WeakPolarHBondContact CG2-O 3.34Å; G103-V208 PolarHBondContact N-O 3.08Å; G103-V208 PolarHBondContact O-N 3.13Å; I105-V208 HydrophobicContact CB-CG2 4.41Å; I105-V208 HydrophobicContact CD1-CB 4.03Å; I105-V208 HydrophobicContact CD1-CG1 4.13Å; I105-V208 HydrophobicContact CD1-CG2 3.9Å; I105-V208 HydrophobicContact CG1-CB 4.45Å; I105-V208 HydrophobicContact CG1-CG2 4.2Å; W148-V208 HydrophobicContact CZ3-CB 4.47Å; W206-V208 HydrophobicContact CB-CG2 3.38Å; V208-I210 HydrophobicContact CG1-CD1 4.31Å; V208-I210 HydrophobicContact CG1-CG1 3.83Å; V208-T217 HydrophobicContact CG1-CG2 3.58Å; V208-V218 CarbonylContact C-O 3.59Å; V208-V218 WeakPolarHBondContact CA-O 3.14Å; V208-V218 WeakPolarHBondContact CG1-O 3.31Å; V208-I263 HydrophobicContact CG1-CD1 4.12Å; V208-I263 HydrophobicContact CG2-CD1 3.69Å
209A97.8Very high97Very high0 Ų032.4 Ų32.40%019%0.192CC..EExtended strand (participates in β ladder)trans-109.4129.3165.100000110F48 W100 T101 I102 V218 L220F48-A209 HydrophobicContact CE1-CB 4Å; W100-A209 HydrophobicContact CE3-CB 4.08Å; W100-A209 HydrophobicContact CZ3-CB 4.36Å; T101-A209 CarbonylContact O-C 3.53Å; T101-A209 WeakPolarHBondContact O-CA 3.5Å; I102-A209 HydrophobicContact CB-CB 4.46Å; I102-A209 HydrophobicContact CG1-CB 3.82Å; I102-A209 HydrophobicContact CG2-CB 4.21Å; A209-V218 HydrophobicContact CB-CB 4.37Å; A209-V218 PolarHBondContact N-O 3.43Å; A209-V218 PolarHBondContact O-N 3.32Å; A209-L220 HydrophobicContact CB-CD1 4.46Å
210I97.4Very high97Very high21 Ų2131.9 Ų31.911%0.10819%0.191CC..EExtended strand (participates in β ladder)trans-123.4126.3178.5-58.1-178.4000109.5W100 T101 I105 P147 W148 V208 E216 T217 M268W100-I210 WeakPolarHBondContact CA-O 3.37Å; W100-I210 VanDerWaalsContact CE3-C 3.44Å; T101-I210 PolarHBondContact N-O 3.12Å; T101-I210 PolarHBondContact O-N 2.84Å; I105-I210 HydrophobicContact CD1-CD1 4.13Å; P147-I210 HydrophobicContact CG-CD1 3.89Å; W148-I210 HydrophobicContact CH2-CB 4.09Å; W148-I210 HydrophobicContact CH2-CD1 3.69Å; W148-I210 HydrophobicContact CH2-CG1 3.73Å; W148-I210 HydrophobicContact CZ2-CB 4.01Å; W148-I210 HydrophobicContact CZ2-CD1 3.71Å; W148-I210 HydrophobicContact CZ2-CG1 3.99Å; W148-I210 HydrophobicContact CZ3-CD1 4.49Å; V208-I210 HydrophobicContact CG1-CD1 4.31Å; V208-I210 HydrophobicContact CG1-CG1 3.83Å; I210-E216 CarbonylContact C-O 3.57Å; I210-E216 VanDerWaalsContact CA-O 3.28Å; I210-E216 WeakPolarHBondContact CA-O 3.32Å; I210-T217 HydrophobicContact CG1-CG2 4.17Å; I210-M268 HydrophobicContact CD1-CE 3.87Å
211N96.4Very high97Very high5 Ų535.5 Ų35.53%0.02720%0.203CC..EExtended strand (participates in β ladder)trans-75.8122.7169.2-172.9-60.7000109.3W100 A213 T214 S215 E216W100-N211 HydrophobicContact CD2-CB 3.95Å; W100-N211 HydrophobicContact CE3-CB 3.9Å; W100-N211 VanDerWaalsContact CE3-N 3.28Å; W100-N211 HydrophobicContact CH2-CB 3.74Å; W100-N211 HydrophobicContact CZ2-CB 3.77Å; W100-N211 WeakPolarHBondContact CZ2-ND2 3.34Å; W100-N211 HydrophobicContact CZ3-CB 3.8Å; W100-N211 PolarHBondContact NE1-ND2 2.92Å; N211-A213 VanDerWaalsContact C-N 3.3Å; N211-A213 PolarHBondContact O-N 3.41Å; N211-A213 PolarHBondContact OD1-N 2.76Å; N211-T214 VanDerWaalsContact CB-OG1 3.27Å; N211-T214 WeakPolarHBondContact CB-OG1 3.42Å; N211-T214 VanDerWaalsContact CG-OG1 3.23Å; N211-T214 PolarHBondContact OD1-N 2.87Å; N211-T214 PolarHBondContact OD1-OG1 2.83Å; N211-S215 WeakPolarHBondContact O-CA 3.22Å; N211-S215 PolarHBondContact O-N 2.91Å; N211-E216 HydrophobicContact CB-CB 4.04Å; N211-E216 PolarHBondContact N-O 2.94Å
212Q95.1Very high97.1Very high110 Ų11035.1 Ų35.151%0.51420%0.201SC..THydrogen-bonded Turntrans-69.8-25.4-174.8-65.5-170.2-15.200113.6T99 T101T99-Q212 HydrophobicContact CG2-CB 4.49Å; T99-Q212 VanDerWaalsContact CG2-CD 3.45Å; T99-Q212 HydrophobicContact CG2-CG 4.03Å; T99-Q212 PolarHBondContact O-N 2.9Å; T101-Q212 PolarHBondContact OG1-NE2 3.46Å
213A94.3Very high97.1Very high81 Ų8133.7 Ų33.767%0.66919%0.191SC*.THydrogen-bonded Turntrans-88.9-39.6-178.700000112.4N211N211-A213 VanDerWaalsContact C-N 3.3Å; N211-A213 PolarHBondContact O-N 3.41Å; N211-A213 PolarHBondContact OD1-N 2.76Å
214T94.3Very high97.1Very high91 Ų9138.6 Ų38.656%0.55821%0.209SC*.THydrogen-bonded Turntrans-101.5-10.1-174.664.90000113.8N211 E216N211-T214 VanDerWaalsContact CB-OG1 3.27Å; N211-T214 WeakPolarHBondContact CB-OG1 3.42Å; N211-T214 VanDerWaalsContact CG-OG1 3.23Å; N211-T214 PolarHBondContact OD1-N 2.87Å; N211-T214 PolarHBondContact OD1-OG1 2.83Å; T214-E216 PolarHBondContact O-N 3.34Å; T214-E216 VanDerWaalsContact O-N 3.11Å; T214-E216 WeakPolarHBondContact OG1-CB 3.35Å; T214-E216 PolarHBondContact OG1-N 2.96Å
215S93.9Very high97.1Very high87 Ų8738.8 Ų38.861%0.60821%0.21SC*.  trans57.516.1-169.3-51.70000114N211 T217N211-S215 WeakPolarHBondContact O-CA 3.22Å; N211-S215 PolarHBondContact O-N 2.91Å; S215-T217 PolarHBondContact O-N 3.38Å; S215-T217 PolarHBondContact O-OG1 3.34Å; S215-T217 VanDerWaalsContact O-OG1 3.1Å
216E94.7Very high97.1Very high83 Ų8342.9 Ų42.939%0.38823%0.225SC..  trans-57.6123.6172.6-176.9-177.1175.500109.1W100 I210 N211 T214W100-E216 HydrophobicContact CH2-CB 4.17Å; W100-E216 HydrophobicContact CH2-CG 4.06Å; I210-E216 CarbonylContact C-O 3.57Å; I210-E216 VanDerWaalsContact CA-O 3.28Å; I210-E216 WeakPolarHBondContact CA-O 3.32Å; N211-E216 HydrophobicContact CB-CB 4.04Å; N211-E216 PolarHBondContact N-O 2.94Å; T214-E216 PolarHBondContact O-N 3.34Å; T214-E216 VanDerWaalsContact O-N 3.11Å; T214-E216 WeakPolarHBondContact OG1-CB 3.35Å; T214-E216 PolarHBondContact OG1-N 2.96Å
217T95.9Very high97Very high63 Ų6342.8 Ų42.839%0.38723%0.225SC..EExtended strand (participates in β ladder)trans-116.7125.9-174.3-61.50000110.1V208 I210 S215 I263 M268V208-T217 HydrophobicContact CG1-CG2 3.58Å; I210-T217 HydrophobicContact CG1-CG2 4.17Å; S215-T217 PolarHBondContact O-N 3.38Å; S215-T217 PolarHBondContact O-OG1 3.34Å; S215-T217 VanDerWaalsContact O-OG1 3.1Å; T217-I263 HydrophobicContact CG2-CD1 4.16Å; T217-M268 HydrophobicContact CG2-CE 4.4Å
218V96.3Very high96.9Very high5 Ų546.4 Ų46.43%0.0324%0.238CC..EExtended strand (participates in β ladder)trans-121.6114.1-179.6-177.80000109.8R49 W100 V208 A209 L220R49-V218 HydrophobicContact CB-CG1 3.99Å; R49-V218 HydrophobicContact CB-CG2 3.72Å; R49-V218 HydrophobicContact CG-CG1 3.72Å; R49-V218 HydrophobicContact CG-CG2 4.18Å; W100-V218 HydrophobicContact CH2-CG2 4.49Å; W100-V218 HydrophobicContact CZ3-CG2 4.29Å; V208-V218 CarbonylContact C-O 3.59Å; V208-V218 WeakPolarHBondContact CA-O 3.14Å; V208-V218 WeakPolarHBondContact CG1-O 3.31Å; A209-V218 HydrophobicContact CB-CB 4.37Å; A209-V218 PolarHBondContact N-O 3.43Å; A209-V218 PolarHBondContact O-N 3.32Å; V218-L220 HydrophobicContact CG1-CD2 3.94Å; V218-L220 PolarHBondContact O-N 3.29Å
219V97.8Very high96.8Very high36 Ų3646.7 Ų46.722%0.21824%0.24CC..EExtended strand (participates in β ladder)trans-80.5115.6171.9-178.10000109.6N260 I263V219-N260 HydrophobicContact CB-CB 4.47Å; V219-N260 HydrophobicContact CG1-CB 3.81Å; V219-N260 PolarHBondContact O-ND2 3.15Å; V219-I263 HydrophobicContact CG2-CD1 3.97Å; V219-I263 HydrophobicContact CG2-CG1 3.85Å
220L97.8Very high96.8Very high12 Ų1249.6 Ų49.66%0.06325%0.253CS..EExtended strand (participates in β ladder)trans-87.2-45.8179.7-57.7175.2000110.9V52 V54 L89 I102 L207 A209 V218 N260V52-L220 HydrophobicContact CB-CD2 4.03Å; V52-L220 HydrophobicContact CG1-CD1 3.81Å; V52-L220 HydrophobicContact CG1-CD2 3.97Å; V54-L220 HydrophobicContact CG2-CB 4.02Å; L89-L220 HydrophobicContact CD2-CD1 4.05Å; I102-L220 HydrophobicContact CG2-CD1 3.93Å; L207-L220 HydrophobicContact CB-CB 4.35Å; L207-L220 HydrophobicContact CD2-CB 4.28Å; L207-L220 HydrophobicContact CD2-CD1 4.46Å; L207-L220 HydrophobicContact CG-CB 4.15Å; L207-L220 HydrophobicContact CG-CD1 4.16Å; L207-L220 WeakPolarHBondContact O-CB 3.46Å; L207-L220 PolarHBondContact O-N 2.66Å; A209-L220 HydrophobicContact CB-CD1 4.46Å; V218-L220 HydrophobicContact CG1-CD2 3.94Å; V218-L220 PolarHBondContact O-N 3.29Å; L220-N260 PolarHBondContact O-ND2 3.25Å
221R98.2Very high96.9Very high102 Ų10248.6 Ų48.639%0.38525%0.248SC..EExtended strand (participates in β ladder)trans-147.5150179.1-71.1-70.5179.5-1017.2111.8V54 L57 W206 L207 N260V54-R221 HydrophobicContact CG2-CG 4.23Å; L57-R221 HydrophobicContact CD2-CB 3.88Å; L57-R221 HydrophobicContact CD2-CG 3.72Å; W206-R221 WeakPolarHBondContact CA-O 3.41Å; L207-R221 HydrophobicContact CB-CB 4.11Å; L207-R221 PolarHBondContact N-O 3.18Å; L207-R221 PolarHBondContact O-N 2.71Å; R221-N260 VanDerWaalsContact CA-OD1 3.26Å; R221-N260 WeakPolarHBondContact CA-OD1 3.13Å
222T98.8Very high97Very high0 Ų053 Ų530%027%0.269CS..EExtended strand (participates in β ladder)trans-120.8134.6173-55.90000110.3T204 L257 N260 E261T204-T222 HydrophobicContact CG2-CG2 3.6Å; T222-L257 HydrophobicContact CG2-CD1 3.62Å; T222-L257 HydrophobicContact CG2-CG 4.15Å; T222-L257 PolarHBondContact O-N 3.04Å; T222-N260 PolarHBondContact N-OD1 2.79Å; T222-N260 WeakPolarHBondContact OG1-CA 3.37Å; T222-E261 HydrophobicContact CG2-CB 4.25Å; T222-E261 PolarHBondContact OG1-N 3.44Å; T222-E261 VanDerWaalsContact OG1-N 3.08Å
223I98.9Very high97.1Very high0 Ų048.1 Ų48.10%025%0.246CC..EExtended strand (participates in β ladder)trans-125.2137.7178.5-54.7170.2000108.1L57 T59 F83 A85 W104 T204 T205 P254 Q255 I256L57-I223 HydrophobicContact CD1-CD1 4.27Å; T59-I223 HydrophobicContact CG2-CD1 4.4Å; T59-I223 HydrophobicContact CG2-CG2 4.17Å; F83-I223 HydrophobicContact CE2-CG2 4.3Å; F83-I223 HydrophobicContact CZ-CG2 4.26Å; A85-I223 HydrophobicContact CB-CD1 4.04Å; W104-I223 HydrophobicContact CH2-CD1 4.26Å; W104-I223 HydrophobicContact CZ3-CD1 3.88Å; T204-I223 WeakPolarHBondContact CA-O 3.39Å; T205-I223 PolarHBondContact N-O 2.79Å; T205-I223 PolarHBondContact O-N 2.65Å; I223-P254 HydrophobicContact CG2-CB 3.99Å; I223-Q255 CarbonylContact C-O 3.51Å; I223-Q255 WeakPolarHBondContact CA-O 3.37Å; I223-I256 HydrophobicContact CG1-CG1 4.37Å
224R98.7Very high97.3Very high108 Ų10847.3 Ų47.341%0.40823%0.231SC..EExtended strand (participates in β ladder)trans-113139169.1-73.8-173.5175.2167.7-0.9110.4F203 P254 Q255 L257 E261F203-R224 WeakPolarHBondContact O-CA 3.22Å; R224-P254 WeakPolarHBondContact O-CA 3.02Å; R224-Q255 PolarHBondContact N-O 2.75Å; R224-Q255 PolarHBondContact O-N 2.88Å; R224-L257 HydrophobicContact CG-CD1 4.25Å; R224-L257 HydrophobicContact CG-CD2 4.25Å; R224-L257 HydrophobicContact CG-CG 4.48Å; R224-E261 IonicContact CZ-OE1 3.28Å; R224-E261 IonicContact CZ-OE2 3.42Å; R224-E261 IonicContact NE-OE2 2.69Å; R224-E261 IonicContact NH2-OE1 2.8Å; R224-E261 PolarHBondContact NH2-OE1 3.48Å; R224-E261 IonicContact NH2-OE2 2.67Å; R224-E261 PolarHBondContact NH2-OE2 2.9Å
225W98.6Very high97.4Very high8 Ų844.1 Ų44.13%0.0321%0.211CC..EExtended strand (participates in β ladder)trans-148.9157.8175.269.2-84.4000110.8I61 F83 D174 F176 F203 T205 M227 P254I61-W225 HydrophobicContact CD1-CE3 4.24Å; F83-W225 HydrophobicContact CB-CD2 4.11Å; F83-W225 HydrophobicContact CB-CE3 3.96Å; F83-W225 HydrophobicContact CB-CH2 4.05Å; F83-W225 HydrophobicContact CB-CZ2 4.19Å; F83-W225 HydrophobicContact CB-CZ3 3.92Å; F83-W225 HydrophobicContact CD1-CD2 4.16Å; F83-W225 AromaticContact CD1-CE2 3.65Å; F83-W225 HydrophobicContact CD1-CG 4.48Å; F83-W225 AromaticContact CD1-CZ2 3.91Å; F83-W225 HydrophobicContact CD1-CZ2 3.91Å; F83-W225 AromaticContact CD1-NE1 3.67Å; F83-W225 HydrophobicContact CD2-CB 4.09Å; F83-W225 AromaticContact CD2-CD2 3.86Å; F83-W225 HydrophobicContact CD2-CD2 3.86Å; F83-W225 HydrophobicContact CD2-CE3 4.33Å; F83-W225 AromaticContact CD2-CG 3.75Å; F83-W225 HydrophobicContact CD2-CG 3.75Å; F83-W225 AromaticContact CE1-CD1 3.88Å; F83-W225 HydrophobicContact CE1-CG 4.5Å; F83-W225 AromaticContact CE1-NE1 3.53Å; F83-W225 HydrophobicContact CE2-CB 4.03Å; F83-W225 AromaticContact CE2-CD1 3.66Å; F83-W225 HydrophobicContact CE2-CD2 4.29Å; F83-W225 AromaticContact CE2-CG 3.75Å; F83-W225 HydrophobicContact CE2-CG 3.75Å; F83-W225 AromaticContact CG-CD2 3.77Å; F83-W225 HydrophobicContact CG-CD2 3.77Å; F83-W225 AromaticContact CG-CE2 3.75Å; F83-W225 HydrophobicContact CG-CE3 4.13Å; F83-W225 HydrophobicContact CG-CG 4.12Å; F83-W225 HydrophobicContact CG-CH2 4.46Å; F83-W225 HydrophobicContact CG-CZ2 4.12Å; F83-W225 HydrophobicContact CG-CZ3 4.46Å; F83-W225 AromaticContact CZ-CD1 3.59Å; F83-W225 HydrophobicContact CZ-CG 4.15Å; F83-W225 AromaticContact CZ-NE1 3.77Å; D174-W225 HydrophobicContact CB-CH2 4.26Å; D174-W225 HydrophobicContact CB-CZ2 4.18Å; D174-W225 WeakPolarHBondContact OD2-CH2 3.5Å; D174-W225 VanDerWaalsContact OD2-CZ2 3.28Å; D174-W225 WeakPolarHBondContact OD2-CZ2 3.36Å; F176-W225 HydrophobicContact CZ-CH2 4.26Å; F203-W225 HydrophobicContact CB-CD2 4.08Å; F203-W225 HydrophobicContact CB-CG 4.23Å; F203-W225 HydrophobicContact CB-CZ2 3.96Å; F203-W225 VanDerWaalsContact CB-NE1 3.35Å; F203-W225 HydrophobicContact CD1-CZ2 4.22Å; F203-W225 HydrophobicContact CD2-CD2 4Å; F203-W225 AromaticContact CD2-CE2 3.73Å; F203-W225 HydrophobicContact CD2-CE3 4.07Å; F203-W225 AromaticContact CD2-CH2 3.63Å; F203-W225 HydrophobicContact CD2-CH2 3.63Å; F203-W225 AromaticContact CD2-CZ2 3.55Å; F203-W225 HydrophobicContact CD2-CZ2 3.55Å; F203-W225 AromaticContact CD2-CZ3 3.9Å; F203-W225 HydrophobicContact CD2-CZ3 3.9Å; F203-W225 AromaticContact CE2-CH2 3.81Å; F203-W225 HydrophobicContact CE2-CH2 3.81Å; F203-W225 HydrophobicContact CE2-CZ2 4.11Å; F203-W225 HydrophobicContact CE2-CZ3 4.15Å; F203-W225 HydrophobicContact CG-CD2 4.35Å; F203-W225 AromaticContact CG-CE2 3.72Å; F203-W225 HydrophobicContact CG-CH2 4.19Å; F203-W225 AromaticContact CG-CZ2 3.63Å; F203-W225 HydrophobicContact CG-CZ2 3.63Å; F203-W225 HydrophobicContact CZ-CH2 4.47Å; F203-W225 PolarHBondContact N-O 2.97Å; F203-W225 PolarHBondContact O-N 2.86Å; F203-W225 VanDerWaalsContact O-N 3.11Å; T205-W225 PolarHBondContact OG1-NE1 3.31Å; T205-W225 VanDerWaalsContact OG1-NE1 3.16Å; W225-M227 HydrophobicContact CZ3-CB 4.22Å; W225-M227 HydrophobicContact CZ3-CE 4.18Å; W225-P254 HydrophobicContact CB-CB 3.81Å
226R98.1Very high97.5Very high85 Ų8548 Ų4832%0.32122%0.22SC..EExtended strand (participates in β ladder)trans-141.7142.9-176-174.6-177.1-175.4173.810.4109.1D200 Q201 S202 R228D200-R226 IonicContact OD1-CZ 2.67Å; D200-R226 VanDerWaalsContact OD1-CZ 3.28Å; D200-R226 IonicContact OD1-NE 3.51Å; D200-R226 PolarHBondContact OD1-NE 2.88Å; D200-R226 IonicContact OD1-NH2 2.7Å; D200-R226 PolarHBondContact OD1-NH2 2.83Å; D200-R226 VanDerWaalsContact OD1-NH2 3.08Å; D200-R226 IonicContact OD2-CZ 3.08Å; D200-R226 IonicContact OD2-NE 3.18Å; D200-R226 IonicContact OD2-NH2 3.44Å; D200-R226 PolarHBondContact OD2-NH2 3.01Å; Q201-R226 CarbonylContact O-C 3.52Å; Q201-R226 VanDerWaalsContact O-CA 3.26Å; Q201-R226 WeakPolarHBondContact O-CA 3.41Å; Q201-R226 VanDerWaalsContact O-CG 3.26Å; Q201-R226 WeakPolarHBondContact O-CG 3.44Å; S202-R226 WeakPolarHBondContact OG-CG 3.36Å; R226-R228 HydrophobicContact CG-CG 4.31Å
227M97.1Very high97.7Very high1 Ų148.2 Ų48.21%0.00522%0.22CC..EExtended strand (participates in β ladder)trans-120.1127.7172.9-174.168.863.300108.8T80 F176 D200 Q201 W225 Q251T80-M227 HydrophobicContact CG2-CG 4.18Å; T80-M227 HydrophobicContact CG2-SD 4.05Å; F176-M227 HydrophobicContact CD2-CB 4.3Å; F176-M227 HydrophobicContact CD2-CG 3.77Å; F176-M227 HydrophobicContact CE2-CB 3.63Å; F176-M227 HydrophobicContact CE2-CG 3.63Å; D200-M227 WeakPolarHBondContact CA-O 3.36Å; Q201-M227 PolarHBondContact N-O 3.3Å; Q201-M227 PolarHBondContact O-N 2.93Å; W225-M227 HydrophobicContact CZ3-CB 4.22Å; W225-M227 HydrophobicContact CZ3-CE 4.18Å; M227-Q251 HydrophobicContact CE-CG 4.25Å; M227-Q251 HydrophobicContact SD-CG 3.54Å; M227-Q251 VanDerWaalsContact SD-CG 3.54Å; M227-Q251 PolarHBondContact SD-OE1 3.33Å
228R97Very high97.7Very high76 Ų7649.1 Ų49.129%0.28723%0.227SC..EExtended strand (participates in β ladder)trans-123.7147.4172.8-69.5-179.2-64.5-170.8-2.1110.1R199 D200 R226 P248 Q251 E252R199-R228 CarbonylContact O-C 3.52Å; R199-R228 VanDerWaalsContact O-CA 3.27Å; R199-R228 WeakPolarHBondContact O-CA 3.38Å; D200-R228 HydrophobicContact CB-CG 4.3Å; R226-R228 HydrophobicContact CG-CG 4.31Å; R228-P248 HydrophobicContact CB-CG 4.13Å; R228-P248 WeakPolarHBondContact O-CD 3.45Å; R228-Q251 PolarHBondContact O-NE2 2.85Å; R228-Q251 PolarHBondContact O-OE1 3.28Å; R228-E252 IonicContact CZ-OE1 2.66Å; R228-E252 IonicContact NH2-OE1 3.08Å; R228-E252 PolarHBondContact NH2-OE1 2.95Å; R228-E252 IonicContact NH2-OE2 2.71Å
229L96.4Very high97.7Very high6 Ų652.3 Ų52.33%0.03124%0.243CC..EExtended strand (participates in β ladder)trans-155.4148.4166.368.8102.8000110.9Y78 T80 I197 Q198 R199 I231 L245 E247Y78-L229 HydrophobicContact CD2-CD2 4.12Å; Y78-L229 HydrophobicContact CE2-CD1 4.3Å; Y78-L229 HydrophobicContact CE2-CD2 3.4Å; Y78-L229 VanDerWaalsContact CE2-CD2 3.4Å; T80-L229 HydrophobicContact CG2-CD2 3.79Å; I197-L229 HydrophobicContact CG2-CD1 4.08Å; Q198-L229 WeakPolarHBondContact CA-O 3.33Å; R199-L229 HydrophobicContact CB-CD1 4.34Å; R199-L229 HydrophobicContact CB-CD2 3.84Å; R199-L229 HydrophobicContact CB-CG 3.74Å; R199-L229 PolarHBondContact N-O 3.33Å; R199-L229 PolarHBondContact O-N 2.75Å; L229-I231 HydrophobicContact CD1-CD1 3.76Å; L229-I231 HydrophobicContact CD1-CG1 3.78Å; L229-L245 HydrophobicContact CB-CD1 4.36Å; L229-E247 CarbonylContact C-O 3.48Å; L229-E247 WeakPolarHBondContact CA-O 3.22Å
230H98.1Very high97.6Very high61 Ų6153 Ų5328%0.28226%0.258SS..EExtended strand (participates in β ladder)trans-132.5113.9168.1-179.8-161.1000108.4S196 I197 K246 E247S196-H230 PolarHBondContact OG-CD2 3.41Å; S196-H230 PolarHBondContact OG-NE2 3.34Å; S196-H230 VanDerWaalsContact OG-NE2 3.12Å; I197-H230 CarbonylContact O-C 3.49Å; I197-H230 WeakPolarHBondContact O-CA 3.46Å; H230-K246 PolarHBondContact O-N 3.25Å; H230-E247 PolarHBondContact N-O 2.98Å
231I98.4Very high97.6Very high0 Ų058.6 Ų58.60%028%0.284CS..EExtended strand (participates in β ladder)trans-105.4121.4172.6-59.4168.2000107I68 Y78 S196 I197 L229 V233 A243 V244 L245I68-I231 HydrophobicContact CD1-CD1 4.1Å; I68-I231 HydrophobicContact CD1-CG1 4.04Å; I68-I231 HydrophobicContact CD1-CG2 3.85Å; I68-I231 HydrophobicContact CG1-CD1 4.1Å; Y78-I231 HydrophobicContact CD1-CD1 3.78Å; Y78-I231 HydrophobicContact CE1-CD1 4.4Å; Y78-I231 HydrophobicContact CG-CD1 3.86Å; S196-I231 CarbonylContact C-O 3.59Å; S196-I231 VanDerWaalsContact CA-O 3.32Å; S196-I231 WeakPolarHBondContact CA-O 3.3Å; I197-I231 HydrophobicContact CB-CB 4.21Å; I197-I231 HydrophobicContact CD1-CD1 4.36Å; I197-I231 PolarHBondContact N-O 3.06Å; I197-I231 PolarHBondContact O-N 2.8Å; L229-I231 HydrophobicContact CD1-CD1 3.76Å; L229-I231 HydrophobicContact CD1-CG1 3.78Å; I231-V233 HydrophobicContact CG2-CG2 4.04Å; I231-A243 HydrophobicContact CG2-CB 3.86Å; I231-V244 WeakPolarHBondContact CA-O 3.49Å; I231-L245 HydrophobicContact CG1-CD1 4.2Å
232Q98.4Very high97.6Very high99 Ų9955.5 Ų55.546%0.46327%0.272SS..EExtended strand (participates in β ladder)trans-88138.3168.5-173.2175.713.300108.6A243 V244 K246Q232-A243 CarbonylContact O-C 3.54Å; Q232-A243 VanDerWaalsContact O-CA 3.32Å; Q232-A243 WeakPolarHBondContact O-CA 3.43Å; Q232-V244 PolarHBondContact N-O 2.84Å; Q232-V244 PolarHBondContact O-N 2.9Å; Q232-K246 HydrophobicContact CB-CG 4Å
233V98.4Very high97.5Very high6 Ų656.2 Ų56.24%0.03628%0.278CS..EExtended strand (participates in β ladder)trans-124.9132.1179.5-175.30000109.2L76 W182 L194 S195 I231 R242 A243L76-V233 HydrophobicContact CD1-CG2 4.14Å; W182-V233 HydrophobicContact CE3-CG1 4.39Å; W182-V233 HydrophobicContact CZ3-CG1 3.82Å; L194-V233 HydrophobicContact CD2-CG2 4.11Å; L194-V233 HydrophobicContact CG-CB 4.4Å; L194-V233 HydrophobicContact CG-CG1 4.49Å; L194-V233 HydrophobicContact CG-CG2 4.15Å; L194-V233 WeakPolarHBondContact O-CB 3.33Å; L194-V233 WeakPolarHBondContact O-CG1 3.14Å; S195-V233 CarbonylContact C-O 3.52Å; S195-V233 VanDerWaalsContact CA-O 3.3Å; S195-V233 WeakPolarHBondContact CA-O 3.44Å; S195-V233 PolarHBondContact O-N 2.8Å; S195-V233 VanDerWaalsContact O-O 3.1Å; I231-V233 HydrophobicContact CG2-CG2 4.04Å; V233-R242 CarbonylContact C-O 3.59Å; V233-R242 WeakPolarHBondContact CA-O 3.32Å; V233-R242 HydrophobicContact CG1-CB 3.96Å; V233-A243 HydrophobicContact CG2-CB 4.13Å
234D98.1Very high97.5Very high64 Ų6459.5 Ų59.534%0.34230%0.298SS..  trans-108100.6170.9-174.5-9.8000109E236 K237 R242D234-E236 PolarHBondContact O-N 2.82Å; D234-E236 PolarHBondContact OD1-N 2.84Å; D234-K237 HydrophobicContact CB-CD 4.04Å; D234-K237 HydrophobicContact CB-CG 4.12Å; D234-K237 PolarHBondContact O-N 2.93Å; D234-K237 VanDerWaalsContact OD2-CE 3.29Å; D234-K237 WeakPolarHBondContact OD2-CE 3.32Å; D234-R242 PolarHBondContact N-O 3.18Å; D234-R242 WeakPolarHBondContact O-CB 3.42Å; D234-R242 WeakPolarHBondContact O-CG 3.38Å
235P96.4Very high97.4Very high24 Ų2456 Ų5616%0.15629%0.287CS..THydrogen-bonded Turntrans-67.4-18.9-174.626.6-33.7000113.8P192 K237 R242P192-P235 HydrophobicContact CB-CB 4.21Å; P192-P235 WeakPolarHBondContact O-CB 3.42Å; P235-K237 VanDerWaalsContact C-N 3.3Å; P235-R242 PolarHBondContact O-NE 2.86Å; P235-R242 PolarHBondContact O-NH2 2.86Å
236E96.4Very high97.3Very high168 Ų16860 Ų6079%0.78530%0.304SS*.THydrogen-bonded Turntrans-77.4-17.8179.6-59.1-57.2136.800112.4D234D234-E236 PolarHBondContact O-N 2.82Å; D234-E236 PolarHBondContact OD1-N 2.84Å
237K97.4Very high96.9Very high89 Ų8962.8 Ų62.839%0.38732%0.321SS..SBendtrans-74.6153.6176.1-72.5-175.7-177.1178.80111.9D234 P235 Q241 R242D234-K237 HydrophobicContact CB-CD 4.04Å; D234-K237 HydrophobicContact CB-CG 4.12Å; D234-K237 PolarHBondContact O-N 2.93Å; D234-K237 VanDerWaalsContact OD2-CE 3.29Å; D234-K237 WeakPolarHBondContact OD2-CE 3.32Å; P235-K237 VanDerWaalsContact C-N 3.3Å; K237-Q241 WeakPolarHBondContact CD-O 3.35Å; K237-R242 HydrophobicContact CB-CG 4.15Å; K237-R242 WeakPolarHBondContact O-CG 3.46Å; K237-R242 PolarHBondContact O-NE 2.79Å
238P96.3Very high96.6Very high82 Ų8264.1 Ų64.153%0.53233%0.33SS..PPolyproline II helixtrans-56.2149.1170.2-2333.8000111.7G240 Q241 R242P238-G240 PolarHBondContact O-N 2.8Å; P238-Q241 PolarHBondContact O-N 3.35Å; P238-Q241 VanDerWaalsContact O-N 3.08Å; P238-R242 WeakPolarHBondContact O-CG 3.28Å
239L95.8Very high96.1Very high71 Ų7165.1 Ų65.137%0.37234%0.344SS..THydrogen-bonded Turntrans-54.3135.3172.5-169.171000110.2E70 W182E70-L239 HydrophobicContact CB-CD1 4.29Å; E70-L239 WeakPolarHBondContact O-CD1 3.45Å; E70-L239 WeakPolarHBondContact O-CD2 3.16Å; E70-L239 WeakPolarHBondContact O-CG 3.37Å; W182-L239 HydrophobicContact CZ2-CD1 3.69Å
240G96.4Very high96Very high51 Ų5168.2 Ų68.253%0.52637%0.37SS..THydrogen-bonded Turntrans93.6-5-173.800000114.1E70 P238E70-G240 WeakPolarHBondContact OE2-CA 3.4Å; E70-G240 PolarHBondContact OE2-N 2.85Å; P238-G240 PolarHBondContact O-N 2.8Å
241Q97.3Very high95.9Very high130 Ų13066.2 Ų66.261%0.60736%0.361SS*.SBendtrans-135.58.4-179.2-56.5-177.924.300112.9E70 K237 P238E70-Q241 PolarHBondContact OE2-N 2.88Å; K237-Q241 WeakPolarHBondContact CD-O 3.35Å; P238-Q241 PolarHBondContact O-N 3.35Å; P238-Q241 VanDerWaalsContact O-N 3.08Å
242R97.8Very high95.8Very high36 Ų3671.3 Ų71.314%0.13639%0.385CS..SBendtrans-80.3-40.2-173.5-61-176.4165.9165.8-3.6112.2E70 W182 P192 V233 D234 P235 K237 P238E70-R242 PolarHBondContact OE1-N 2.87Å; E70-R242 VanDerWaalsContact OE1-N 3.11Å; E70-R242 VanDerWaalsContact OE2-CB 3.3Å; E70-R242 WeakPolarHBondContact OE2-CB 3.16Å; E70-R242 PolarHBondContact OE2-N 2.95Å; W182-R242 HydrophobicContact CH2-CB 4.47Å; W182-R242 HydrophobicContact CZ3-CB 4.35Å; P192-R242 VanDerWaalsContact CB-NH1 3.33Å; V233-R242 CarbonylContact C-O 3.59Å; V233-R242 WeakPolarHBondContact CA-O 3.32Å; V233-R242 HydrophobicContact CG1-CB 3.96Å; D234-R242 PolarHBondContact N-O 3.18Å; D234-R242 WeakPolarHBondContact O-CB 3.42Å; D234-R242 WeakPolarHBondContact O-CG 3.38Å; P235-R242 PolarHBondContact O-NE 2.86Å; P235-R242 PolarHBondContact O-NH2 2.86Å; K237-R242 HydrophobicContact CB-CG 4.15Å; K237-R242 WeakPolarHBondContact O-CG 3.46Å; K237-R242 PolarHBondContact O-NE 2.79Å; P238-R242 WeakPolarHBondContact O-CG 3.28Å
243A98Very high95.8Very high15 Ų1571.9 Ų71.912%0.12439%0.388CS..EExtended strand (participates in β ladder)trans-106.2138.8-163.500000112.7I68 E70 L76 I231 Q232 V233I68-A243 HydrophobicContact CD1-CB 4.32Å; I68-A243 HydrophobicContact CG2-CB 3.87Å; E70-A243 HydrophobicContact CG-CB 4.45Å; E70-A243 WeakPolarHBondContact OE1-CB 3.14Å; E70-A243 PolarHBondContact OE1-N 2.83Å; L76-A243 HydrophobicContact CD1-CB 3.49Å; L76-A243 VanDerWaalsContact CD1-CB 3.49Å; I231-A243 HydrophobicContact CG2-CB 3.86Å; Q232-A243 CarbonylContact O-C 3.54Å; Q232-A243 VanDerWaalsContact O-CA 3.32Å; Q232-A243 WeakPolarHBondContact O-CA 3.43Å; V233-A243 HydrophobicContact CG2-CB 4.13Å
244V97.6Very high95.8Very high69 Ų6972.4 Ų72.442%0.41839%0.391SS..EExtended strand (participates in β ladder)trans-135.7124.3177.6-1790000108.9I231 Q232 K246I231-V244 WeakPolarHBondContact CA-O 3.49Å; Q232-V244 PolarHBondContact N-O 2.84Å; Q232-V244 PolarHBondContact O-N 2.9Å; V244-K246 HydrophobicContact CG1-CD 4.45Å; V244-K246 PolarHBondContact O-N 2.77Å
245L97.4Very high95.8Very high34 Ų3475.2 Ų75.218%0.17840%0.402CS..EExtended strand (participates in β ladder)trans-66.2121.6167.9-17967.8000108.7P65 I68 L229 I231P65-L245 HydrophobicContact CB-CD2 4.29Å; I68-L245 HydrophobicContact CD1-CB 4.11Å; L229-L245 HydrophobicContact CB-CD1 4.36Å; I231-L245 HydrophobicContact CG1-CD1 4.2Å
246K96.1Very high95.9Very high93 Ų9377.6 Ų77.640%0.40441%0.413SS..EExtended strand (participates in β ladder)trans-90.8-68176.9-67.7-59.4-169.61770110.9H230 Q232 V244H230-K246 PolarHBondContact O-N 3.25Å; Q232-K246 HydrophobicContact CB-CG 4Å; V244-K246 HydrophobicContact CG1-CD 4.45Å; V244-K246 PolarHBondContact O-N 2.77Å
247E88.9Confident96Very high144 Ų14470.7 Ų70.767%0.67338%0.381SS*.EExtended strand (participates in β ladder)trans-150.7156.6-176.2-68.5-174.3164.800111.5L229 H230L229-E247 CarbonylContact C-O 3.48Å; L229-E247 WeakPolarHBondContact CA-O 3.22Å; H230-E247 PolarHBondContact N-O 2.98Å
248P90.8Very high96Very high28 Ų2870.9 Ų70.918%0.18241%0.409CS..  cis-77.2149.2-16.636.4-34.6000110.4R228 A250R228-P248 HydrophobicContact CB-CG 4.13Å; R228-P248 WeakPolarHBondContact O-CD 3.45Å; P248-A250 WeakPolarHBondContact CB-O 3.15Å
249V87.9Confident96Very high98 Ų9875.3 Ų75.359%0.59442%0.42SS*.SBendtrans-72.7-36.51751780000110.9
250A92.9Very high96.1Very high70 Ų7074.5 Ų74.558%0.57942%0.416SS*.SBendtrans-121138.5173.400000109.9P248P248-A250 WeakPolarHBondContact CB-O 3.15Å
251Q96.6Very high96.1Very high19 Ų1975 Ų759%0.08941%0.405CS..PPolyproline II helixtrans-78.2153177.6-60-61.7-38.500111.3I61 P81 M227 R228I61-Q251 HydrophobicContact CB-CB 4.41Å; I61-Q251 HydrophobicContact CD1-CB 4.13Å; I61-Q251 HydrophobicContact CG2-CB 3.78Å; I61-Q251 HydrophobicContact CG2-CG 4.07Å; P81-Q251 HydrophobicContact CG-CG 4.43Å; M227-Q251 HydrophobicContact CE-CG 4.25Å; M227-Q251 HydrophobicContact SD-CG 3.54Å; M227-Q251 VanDerWaalsContact SD-CG 3.54Å; M227-Q251 PolarHBondContact SD-OE1 3.33Å; R228-Q251 PolarHBondContact O-NE2 2.85Å; R228-Q251 PolarHBondContact O-OE1 3.28Å
252E96.6Very high96.1Very high107 Ų10774.2 Ų74.250%0.541%0.41SS..PPolyproline II helixtrans-64.9134169.9-70.8175-177.800109.4I61 R228I61-E252 WeakPolarHBondContact CD1-O 3.45Å; R228-E252 IonicContact CZ-OE1 2.66Å; R228-E252 IonicContact NH2-OE1 3.08Å; R228-E252 PolarHBondContact NH2-OE1 2.95Å; R228-E252 IonicContact NH2-OE2 2.71Å
253Q98.3Very high96.1Very high111 Ų11173.8 Ų73.852%0.51941%0.41SS..PPolyproline II helixtrans-69.4145178.6-68.8-62.3-45.300110.8I61I61-Q253 PolarHBondContact O-NE2 2.82Å
254P98.5Very high96.1Very high17 Ų1774 Ų7411%0.1141%0.41CS..PPolyproline II helixtrans-62.5149.3-179.525.4-34.2000112.4T59 F83 I223 R224 W225T59-P254 HydrophobicContact CG2-CB 4.03Å; T59-P254 HydrophobicContact CG2-CG 3.75Å; T59-P254 WeakPolarHBondContact OG1-CB 3.4Å; T59-P254 WeakPolarHBondContact OG1-CG 3.45Å; F83-P254 HydrophobicContact CD2-CB 4.2Å; F83-P254 HydrophobicContact CD2-CG 4.2Å; F83-P254 HydrophobicContact CE2-CB 3.72Å; F83-P254 HydrophobicContact CE2-CG 3.96Å; I223-P254 HydrophobicContact CG2-CB 3.99Å; R224-P254 WeakPolarHBondContact O-CA 3.02Å; W225-P254 HydrophobicContact CB-CB 3.81Å
255Q98.6Very high96.1Very high124 Ų12475.5 Ų75.558%0.57942%0.422SS*.EExtended strand (participates in β ladder)trans-109.3119.6-178.6-172.1-177.313.900110.9I223 R224 L257I223-Q255 CarbonylContact C-O 3.51Å; I223-Q255 WeakPolarHBondContact CA-O 3.37Å; R224-Q255 PolarHBondContact N-O 2.75Å; R224-Q255 PolarHBondContact O-N 2.88Å; Q255-L257 HydrophobicContact CG-CD2 4.22Å
256I98.6Very high96Very high73 Ų7377 Ų7737%0.37443%0.43SS..EExtended strand (participates in β ladder)trans-76.7125.6165.5-57167.6000108L57 T59 I223L57-I256 HydrophobicContact CD2-CB 4.46Å; L57-I256 HydrophobicContact CD2-CD1 3.65Å; L57-I256 HydrophobicContact CD2-CG1 3.91Å; L57-I256 HydrophobicContact CD2-CG2 3.69Å; L57-I256 HydrophobicContact CG-CD1 3.85Å; L57-I256 HydrophobicContact CG-CG1 4.47Å; T59-I256 HydrophobicContact CG2-CD1 3.96Å; T59-I256 HydrophobicContact CG2-CG1 3.61Å; I223-I256 HydrophobicContact CG1-CG1 4.37Å
257L98.4Very high96.1Very high23 Ų2372.6 Ų72.612%0.1241%0.411CS..  trans-79.9140-179-55.5-169000111.4T222 R224 Q255 K259 E261T222-L257 HydrophobicContact CG2-CD1 3.62Å; T222-L257 HydrophobicContact CG2-CG 4.15Å; T222-L257 PolarHBondContact O-N 3.04Å; R224-L257 HydrophobicContact CG-CD1 4.25Å; R224-L257 HydrophobicContact CG-CD2 4.25Å; R224-L257 HydrophobicContact CG-CG 4.48Å; Q255-L257 HydrophobicContact CG-CD2 4.22Å; L257-K259 WeakPolarHBondContact CB-O 3.48Å; L257-K259 PolarHBondContact O-N 3.26Å; L257-E261 HydrophobicContact CD1-CG 3.91Å
258G96.4Very high96.5Very high94 Ų9468 Ų6897%0.96939%0.39SS*.SBendtrans-69-20174.500000113.6
259K97.3Very high96.8Very high175 Ų17570.3 Ų70.376%0.76140%0.403SS*.SBendtrans-130.9132.9174.4-176.2-179.3176.9-176.40109.1L257L257-K259 WeakPolarHBondContact CB-O 3.48Å; L257-K259 PolarHBondContact O-N 3.26Å
260N97.8Very high97.2Very high53 Ų5372.9 Ų72.928%0.28341%0.407SS..PPolyproline II helixtrans-68.5140.4176.3-68-16000111.1V219 L220 R221 T222V219-N260 HydrophobicContact CB-CB 4.47Å; V219-N260 HydrophobicContact CG1-CB 3.81Å; V219-N260 PolarHBondContact O-ND2 3.15Å; L220-N260 PolarHBondContact O-ND2 3.25Å; R221-N260 VanDerWaalsContact CA-OD1 3.26Å; R221-N260 WeakPolarHBondContact CA-OD1 3.13Å; T222-N260 PolarHBondContact N-OD1 2.79Å; T222-N260 WeakPolarHBondContact OG1-CA 3.37Å
261E97.3Very high97.3Very high63 Ų6370.9 Ų70.929%0.29439%0.388SS..PPolyproline II helixtrans-100.9146.7174.2-63.8-173.7157.400110.2W206 T222 R224 L257W206-E261 PolarHBondContact NE1-O 3.15Å; W206-E261 VanDerWaalsContact NE1-O 3.09Å; T222-E261 HydrophobicContact CG2-CB 4.25Å; T222-E261 PolarHBondContact OG1-N 3.44Å; T222-E261 VanDerWaalsContact OG1-N 3.08Å; R224-E261 IonicContact CZ-OE1 3.28Å; R224-E261 IonicContact CZ-OE2 3.42Å; R224-E261 IonicContact NE-OE2 2.69Å; R224-E261 IonicContact NH2-OE1 2.8Å; R224-E261 PolarHBondContact NH2-OE1 3.48Å; R224-E261 IonicContact NH2-OE2 2.67Å; R224-E261 PolarHBondContact NH2-OE2 2.9Å; L257-E261 HydrophobicContact CD1-CG 3.91Å
262P97.1Very high97.3Very high112 Ų11270.2 Ų70.273%0.72739%0.385SS*.PPolyproline II helixtrans-64.8151.7174.529.9-35.2000110.8P264P262-P264 WeakPolarHBondContact O-CD 3.48Å
263I98.1Very high97.3Very high27 Ų2765.6 Ų65.614%0.13837%0.365CS..PPolyproline II helixtrans-83.2123.7175.2-50.6170.8000108.2I105 W206 V208 T217 V219 A267 M268I105-I263 HydrophobicContact CD1-CD1 4.04Å; W206-I263 HydrophobicContact CB-CD1 4.44Å; W206-I263 HydrophobicContact CB-CG1 4.43Å; W206-I263 HydrophobicContact CD2-CG1 3.89Å; W206-I263 HydrophobicContact CD2-CG2 4.49Å; W206-I263 HydrophobicContact CE3-CG1 4.45Å; W206-I263 HydrophobicContact CE3-CG2 4.32Å; W206-I263 HydrophobicContact CG-CD1 4.4Å; W206-I263 HydrophobicContact CG-CG1 3.87Å; W206-I263 HydrophobicContact CH2-CG2 4.36Å; W206-I263 HydrophobicContact CZ3-CG2 4.26Å; V208-I263 HydrophobicContact CG1-CD1 4.12Å; V208-I263 HydrophobicContact CG2-CD1 3.69Å; T217-I263 HydrophobicContact CG2-CD1 4.16Å; V219-I263 HydrophobicContact CG2-CD1 3.97Å; V219-I263 HydrophobicContact CG2-CG1 3.85Å; I263-A267 HydrophobicContact CG2-CB 3.73Å; I263-M268 HydrophobicContact CB-SD 4.19Å; I263-M268 HydrophobicContact CD1-SD 3.91Å; I263-M268 HydrophobicContact CG2-CG 3.87Å; I263-M268 HydrophobicContact CG2-SD 3.58Å; I263-M268 VanDerWaalsContact CG2-SD 3.58Å
264P97.3Very high97.2Very high19 Ų1964.4 Ų64.412%0.12336%0.362CS..PPolyproline II helixtrans-60.1143.2174.3-24.335.1000111.4A137 P262 N266 A267A137-P264 HydrophobicContact CB-CB 4.37Å; A137-P264 HydrophobicContact CB-CG 4.03Å; P262-P264 WeakPolarHBondContact O-CD 3.48Å; P264-N266 VanDerWaalsContact C-N 3.26Å; P264-N266 PolarHBondContact O-N 3.31Å; P264-A267 WeakPolarHBondContact O-CB 3.32Å; P264-A267 PolarHBondContact O-N 2.88Å
265P96.7Very high97.1Very high102 Ų10265.7 Ų65.766%0.66237%0.368SS*.G310 helixtrans-53.9-39.6-179.5-28.735.7000113.9A267 M268P265-A267 PolarHBondContact O-N 2.78Å; P265-M268 WeakPolarHBondContact O-CB 3.19Å; P265-M268 PolarHBondContact O-N 2.84Å
266N96.9Very high97Very high66 Ų6660 Ų6035%0.35334%0.342SS..G310 helixtrans-67.8-16.6179-62.687000114.4I135 A137 S139 P264 M268I135-N266 HydrophobicContact CB-CB 4.32Å; I135-N266 HydrophobicContact CG2-CB 4.3Å; I135-N266 VanDerWaalsContact CG2-ND2 3.34Å; I135-N266 WeakPolarHBondContact CG2-ND2 3.29Å; A137-N266 VanDerWaalsContact O-CB 3.26Å; A137-N266 WeakPolarHBondContact O-CB 3.41Å; S139-N266 PolarHBondContact N-O 2.79Å; P264-N266 VanDerWaalsContact C-N 3.26Å; P264-N266 PolarHBondContact O-N 3.31Å; N266-M268 VanDerWaalsContact C-N 3.28Å
267A97.4Very high96.8Very high0 Ų058.6 Ų58.60%033%0.334CS..G310 helixtrans-77.7-18.6171.100000112.2A107 S139 W206 I263 P264 P265A107-A267 HydrophobicContact CB-CB 3.61Å; S139-A267 VanDerWaalsContact CB-O 3.32Å; S139-A267 WeakPolarHBondContact CB-O 3.33Å; S139-A267 PolarHBondContact OG-O 3.22Å; W206-A267 HydrophobicContact CZ3-CB 4.4Å; I263-A267 HydrophobicContact CG2-CB 3.73Å; P264-A267 WeakPolarHBondContact O-CB 3.32Å; P264-A267 PolarHBondContact O-N 2.88Å; P265-A267 PolarHBondContact O-N 2.78Å
268M97.2Very high96.8Very high46 Ų4658 Ų5823%0.22733%0.331CS..SBendtrans-92.7-11.2-174.2-61.7-65.7-71.800114.1I105 P147 I210 T217 I263 P265 N266I105-M268 HydrophobicContact CD1-CE 4.28Å; I105-M268 HydrophobicContact CD1-SD 3.85Å; P147-M268 HydrophobicContact CB-CB 4.49Å; P147-M268 HydrophobicContact CB-CE 4.28Å; P147-M268 HydrophobicContact CB-SD 3.94Å; P147-M268 HydrophobicContact CG-CE 3.84Å; P147-M268 HydrophobicContact CG-SD 4.05Å; I210-M268 HydrophobicContact CD1-CE 3.87Å; T217-M268 HydrophobicContact CG2-CE 4.4Å; I263-M268 HydrophobicContact CB-SD 4.19Å; I263-M268 HydrophobicContact CD1-SD 3.91Å; I263-M268 HydrophobicContact CG2-CG 3.87Å; I263-M268 HydrophobicContact CG2-SD 3.58Å; I263-M268 VanDerWaalsContact CG2-SD 3.58Å; P265-M268 WeakPolarHBondContact O-CB 3.19Å; P265-M268 PolarHBondContact O-N 2.84Å; N266-M268 VanDerWaalsContact C-N 3.28Å
269V96.4Very high96.9Very high77 Ų7754.1 Ų54.147%0.46729%0.288SS..SBendtrans-134.9169.8-169-610000111.6Y146Y146-V269 WeakPolarHBondContact CE1-O 3.48Å
270K96Very high96.9Very high152 Ų15247 Ų4766%0.66126%0.258SS*.SBendtrans-62.6152.9170-69.9179.1179.1-170.20111.3Y146Y146-K270 HydrophobicContact CD1-CG 4.31Å; Y146-K270 HydrophobicContact CD2-CG 3.79Å; Y146-K270 HydrophobicContact CE1-CB 4.39Å; Y146-K270 HydrophobicContact CE1-CG 3.93Å; Y146-K270 HydrophobicContact CE2-CD 4.15Å; Y146-K270 HydrophobicContact CE2-CG 3.38Å; Y146-K270 HydrophobicContact CG-CG 4.23Å; Y146-K270 VanDerWaalsContact CZ-CG 3.46Å
271P96.2Very high96.9Very high28 Ų2845.1 Ų45.118%0.18225%0.247CC..PPolyproline II helixcis-81.6163.3-7.835.5-38.8000112.7I138 D275 A276 Y296I138-P271 HydrophobicContact CD1-CG 4.39Å; P271-D275 HydrophobicContact CB-CB 4.34Å; P271-A276 HydrophobicContact CB-CB 4.14Å; P271-A276 HydrophobicContact CG-CB 3.79Å; P271-Y296 HydrophobicContact CB-CD1 3.9Å; P271-Y296 HydrophobicContact CB-CD2 3.96Å; P271-Y296 HydrophobicContact CB-CE1 4.34Å; P271-Y296 HydrophobicContact CB-CE2 4.33Å; P271-Y296 HydrophobicContact CB-CG 3.7Å; P271-Y296 HydrophobicContact CG-CD1 4.03Å; P271-Y296 HydrophobicContact CG-CD2 3.78Å; P271-Y296 HydrophobicContact CG-CE1 3.98Å; P271-Y296 HydrophobicContact CG-CE2 3.65Å; P271-Y296 HydrophobicContact CG-CG 3.95Å
272N96.9Very high96.9Very high6 Ų645.3 Ų45.33%0.03225%0.245CC..BIsolated β-bridgetrans-81.6168.4165.370.315000110.8S139 S141 G143 Y146 N274 D275 A276S139-N272 CarbonylContact O-C 3.57Å; S139-N272 WeakPolarHBondContact O-CA 3.35Å; S141-N272 PolarHBondContact O-ND2 3.08Å; G143-N272 WeakPolarHBondContact CA-ND2 3.3Å; G143-N272 PolarHBondContact N-ND2 2.91Å; Y146-N272 HydrophobicContact CE1-CB 4.06Å; Y146-N272 VanDerWaalsContact OH-CB 3.32Å; Y146-N272 WeakPolarHBondContact OH-CB 3.26Å; Y146-N272 PolarHBondContact OH-N 3.26Å; N272-N274 VanDerWaalsContact C-N 3.27Å; N272-N274 PolarHBondContact O-N 3.25Å; N272-N274 PolarHBondContact OD1-N 3.11Å; N272-D275 PolarHBondContact O-N 2.85Å; N272-D275 WeakPolarHBondContact OD1-CB 3.11Å; N272-D275 VanDerWaalsContact OD1-CG 3.31Å; N272-D275 PolarHBondContact OD1-N 3.35Å; N272-D275 PolarHBondContact OD1-OD2 2.92Å; N272-A276 VanDerWaalsContact O-CB 3.22Å; N272-A276 WeakPolarHBondContact O-CB 3.36Å; N272-A276 PolarHBondContact O-N 2.81Å
273A96.3Very high96.9Very high10 Ų1041.7 Ų41.78%0.08322%0.221CC..Hα-helixtrans-57.1-39.5-178.800000112.5L127 I138 S139 A276 Q277L127-A273 HydrophobicContact CD2-CB 4.43Å; I138-A273 HydrophobicContact CG2-CB 3.93Å; S139-A273 PolarHBondContact O-N 3.04Å; A273-A276 PolarHBondContact O-N 2.86Å; A273-Q277 WeakPolarHBondContact O-CB 3.16Å; A273-Q277 PolarHBondContact O-N 3Å
274N95.1Very high96.8Very high85 Ų8547.3 Ų47.346%0.45524%0.244SC..Hα-helixtrans-69.2-34.6-177.6-75.8-40.4000113.8N272 Q277N272-N274 VanDerWaalsContact C-N 3.27Å; N272-N274 PolarHBondContact O-N 3.25Å; N272-N274 PolarHBondContact OD1-N 3.11Å; N274-Q277 WeakPolarHBondContact O-CG 3.29Å; N274-Q277 PolarHBondContact O-NE2 3.04Å
275D96.2Very high96.6Very high45 Ų4555.2 Ų55.224%0.24128%0.277CS..Hα-helixtrans-80.1-30.3175-69.2-22.4000110.9P271 N272 K295 Y296P271-D275 HydrophobicContact CB-CB 4.34Å; N272-D275 PolarHBondContact O-N 2.85Å; N272-D275 WeakPolarHBondContact OD1-CB 3.11Å; N272-D275 VanDerWaalsContact OD1-CG 3.31Å; N272-D275 PolarHBondContact OD1-N 3.35Å; N272-D275 PolarHBondContact OD1-OD2 2.92Å; D275-K295 HydrophobicContact CB-CB 4.31Å; D275-K295 PolarHBondContact O-N 3.08Å; D275-Y296 WeakPolarHBondContact O-CD1 3.5Å
276A96.4Very high96.4Very high3 Ų353.4 Ų53.43%0.02528%0.277CS..Hα-helixtrans-85.3-20.3-174.900000116L127 I138 P271 N272 A273 Y296L127-A276 HydrophobicContact CD2-CB 4.01Å; I138-A276 HydrophobicContact CD1-CB 3.23Å; P271-A276 HydrophobicContact CB-CB 4.14Å; P271-A276 HydrophobicContact CG-CB 3.79Å; N272-A276 VanDerWaalsContact O-CB 3.22Å; N272-A276 WeakPolarHBondContact O-CB 3.36Å; N272-A276 PolarHBondContact O-N 2.81Å; A273-A276 PolarHBondContact O-N 2.86Å; A276-Y296 HydrophobicContact CB-CD1 4.28Å; A276-Y296 HydrophobicContact CB-CE1 3.76Å
277Q96.3Very high96.4Very high44 Ų4457 Ų5721%0.20630%0.296CS..  trans-69.2148.3-177.664.8-173.8-11.400112.4W125 E126 L127 A273 N274W125-Q277 HydrophobicContact CE3-CB 4.04Å; W125-Q277 HydrophobicContact CE3-CG 3.74Å; W125-Q277 HydrophobicContact CZ3-CB 4.47Å; W125-Q277 HydrophobicContact CZ3-CG 3.77Å; E126-Q277 CarbonylContact O-C 3.59Å; E126-Q277 WeakPolarHBondContact O-CA 3.48Å; L127-Q277 HydrophobicContact CD2-CB 4.04Å; A273-Q277 WeakPolarHBondContact O-CB 3.16Å; A273-Q277 PolarHBondContact O-N 3Å; N274-Q277 WeakPolarHBondContact O-CG 3.29Å; N274-Q277 PolarHBondContact O-NE2 3.04Å
278V97.8Very high96.3Very high10 Ų1060.6 Ų60.66%0.06132%0.319CS..EExtended strand (participates in β ladder)trans-122143.8174.7-550000109.7W125 E126 P128 M280 I292 P294W125-V278 CarbonylContact C-O 3.52Å; W125-V278 WeakPolarHBondContact CA-O 3.4Å; E126-V278 HydrophobicContact CB-CG2 3.94Å; E126-V278 PolarHBondContact N-O 2.82Å; E126-V278 PolarHBondContact O-N 2.76Å; P128-V278 HydrophobicContact CG-CG1 4.15Å; P128-V278 HydrophobicContact CG-CG2 3.77Å; V278-M280 HydrophobicContact CG2-CG 4.03Å; V278-M280 HydrophobicContact CG2-SD 4.07Å; V278-I292 WeakPolarHBondContact CA-O 3.26Å; V278-P294 HydrophobicContact CG1-CB 4.06Å; V278-P294 HydrophobicContact CG1-CG 4.06Å
279L97.9Very high96.3Very high14 Ų1462.6 Ų62.67%0.07333%0.329CS..EExtended strand (participates in β ladder)trans-95.5114.8168.2-178.161.4000108.7W125 V291 I292W125-L279 HydrophobicContact CD2-CB 4.18Å; W125-L279 HydrophobicContact CD2-CD1 4.09Å; W125-L279 HydrophobicContact CE3-CB 4.01Å; W125-L279 HydrophobicContact CG-CD1 4.21Å; W125-L279 HydrophobicContact CH2-CB 3.92Å; W125-L279 HydrophobicContact CZ2-CB 4.07Å; W125-L279 HydrophobicContact CZ2-CD1 4.42Å; W125-L279 HydrophobicContact CZ2-CD2 4.27Å; W125-L279 HydrophobicContact CZ2-CG 4.48Å; W125-L279 HydrophobicContact CZ3-CB 3.87Å; L279-V291 HydrophobicContact CB-CB 4.27Å; L279-V291 HydrophobicContact CD2-CB 3.99Å; L279-V291 HydrophobicContact CD2-CG1 4Å; L279-V291 HydrophobicContact CG-CB 3.99Å; L279-V291 HydrophobicContact CG-CG2 4.37Å; L279-V291 WeakPolarHBondContact O-CB 3.45Å; L279-V291 PolarHBondContact O-N 3.05Å; L279-I292 HydrophobicContact CB-CB 3.73Å; L279-I292 HydrophobicContact CB-CD1 4.1Å; L279-I292 HydrophobicContact CB-CG1 3.95Å; L279-I292 HydrophobicContact CD2-CD1 3.73Å; L279-I292 HydrophobicContact CD2-CG1 4.04Å; L279-I292 PolarHBondContact N-O 3.33Å; L279-I292 PolarHBondContact O-N 3.45Å
280M97.9Very high96.3Very high24 Ų2462.8 Ų62.812%0.11833%0.33CS..EExtended strand (participates in β ladder)trans-97.8144.7173.9-61.3-57.9-63.400110.5S123 S124 E126 V278 P288 V290S123-M280 CarbonylContact C-O 3.43Å; S123-M280 WeakPolarHBondContact CA-O 3.42Å; S123-M280 WeakPolarHBondContact CB-O 3.34Å; S124-M280 PolarHBondContact N-O 3.46Å; S124-M280 PolarHBondContact O-N 3.5Å; E126-M280 HydrophobicContact CG-CG 4.4Å; V278-M280 HydrophobicContact CG2-CG 4.03Å; V278-M280 HydrophobicContact CG2-SD 4.07Å; M280-P288 HydrophobicContact CE-CB 4.5Å; M280-V290 HydrophobicContact CE-CG2 3.97Å; M280-V290 HydrophobicContact SD-CB 4.24Å; M280-V290 HydrophobicContact SD-CG2 3.66Å
281W97.9Very high96.3Very high14 Ų1457.7 Ų57.75%0.05331%0.312CS..EExtended strand (participates in β ladder)trans-113.3129.9163.8171.1-111.4000109.4Y117 K120 M122 V184 P185 V186 P283 P288 M289 V291Y117-W281 HydrophobicContact CD2-CH2 4.15Å; Y117-W281 AromaticContact CD2-CZ3 3.53Å; Y117-W281 HydrophobicContact CD2-CZ3 3.53Å; Y117-W281 AromaticContact CE2-CZ3 3.99Å; Y117-W281 HydrophobicContact CE2-CZ3 3.99Å; Y117-W281 HydrophobicContact CG-CH2 4.44Å; Y117-W281 HydrophobicContact CG-CZ3 4.21Å; K120-W281 HydrophobicContact CB-CH2 4.31Å; K120-W281 HydrophobicContact CB-CZ2 4.48Å; M122-W281 VanDerWaalsContact O-CE3 3.28Å; V184-W281 HydrophobicContact CB-CH2 4.27Å; V184-W281 HydrophobicContact CB-CZ2 4.5Å; V184-W281 HydrophobicContact CG1-CD2 4.17Å; V184-W281 HydrophobicContact CG1-CE3 4.25Å; V184-W281 HydrophobicContact CG1-CH2 3.59Å; V184-W281 HydrophobicContact CG1-CZ2 3.46Å; V184-W281 VanDerWaalsContact CG1-CZ2 3.46Å; V184-W281 HydrophobicContact CG1-CZ3 3.98Å; V184-W281 HydrophobicContact CG2-CH2 3.79Å; V184-W281 HydrophobicContact CG2-CZ2 4.22Å; V184-W281 HydrophobicContact CG2-CZ3 4.46Å; P185-W281 HydrophobicContact CG-CE3 3.97Å; V186-W281 HydrophobicContact CG1-CB 4.08Å; V186-W281 HydrophobicContact CG1-CG 4.21Å; V186-W281 HydrophobicContact CG2-CD2 4.25Å; V186-W281 HydrophobicContact CG2-CG 3.92Å; W281-P283 HydrophobicContact CZ2-CB 4.25Å; W281-P288 CarbonylContact O-C 3.19Å; W281-P288 WeakPolarHBondContact O-CA 3.41Å; W281-M289 HydrophobicContact CB-CG 3.82Å; W281-M289 HydrophobicContact CG-CG 4.27Å; W281-M289 PolarHBondContact N-O 3.38Å; W281-M289 PolarHBondContact O-N 3.4Å; W281-V291 HydrophobicContact CB-CG2 3.47Å; W281-V291 VanDerWaalsContact CB-CG2 3.47Å
282R97.6Very high96.3Very high68 Ų6859.7 Ų59.726%0.25732%0.32SS..EExtended strand (participates in β ladder)trans-122.695.2177.1-68-169.7-178.978.4-3.5109G121 M122 S124 E126 P288G121-R282 VanDerWaalsContact CA-O 3.28Å; G121-R282 WeakPolarHBondContact CA-O 3.43Å; M122-R282 PolarHBondContact N-O 3.33Å; M122-R282 PolarHBondContact O-N 2.87Å; S124-R282 PolarHBondContact OG-NH1 2.83Å; E126-R282 VanDerWaalsContact CD-NH2 3.35Å; E126-R282 IonicContact OE1-CZ 3.46Å; E126-R282 IonicContact OE1-NH1 3.79Å; E126-R282 PolarHBondContact OE1-NH1 3.26Å; E126-R282 IonicContact OE1-NH2 3.74Å; E126-R282 PolarHBondContact OE1-NH2 3.23Å; E126-R282 IonicContact OE2-NH2 2.8Å; E126-R282 PolarHBondContact OE2-NH2 3.43Å; R282-P288 HydrophobicContact CG-CB 4.01Å; R282-P288 HydrophobicContact CG-CG 4.2Å
283P97Very high96.3Very high35 Ų3563.3 Ų63.323%0.22734%0.344CS..EExtended strand (participates in β ladder)trans-69.6159177.830.8-34.1000110.6K120 W281 K285K120-P283 WeakPolarHBondContact O-CA 3.42Å; W281-P283 HydrophobicContact CZ2-CB 4.25Å; P283-K285 VanDerWaalsContact CB-O 3.29Å; P283-K285 WeakPolarHBondContact CB-O 3.11Å; P283-K285 VanDerWaalsContact CG-O 3.26Å; P283-K285 WeakPolarHBondContact CG-O 3.3Å; P283-K285 PolarHBondContact O-N 3.22Å
284K94.8Very high96.3Very high145 Ų14565.3 Ų65.363%0.6336%0.356SS*.SBendtrans-65.3-25.2172.1-172.7171.2-174.9173.30112.6N119 K120N119-K284 WeakPolarHBondContact O-CD 3.2Å; N119-K284 PolarHBondContact OD1-NZ 3.17Å; K120-K284 PolarHBondContact O-N 3.08Å
285K93Very high96.2Very high186 Ų18668.9 Ų68.981%0.80937%0.367SS*.SBendtrans-134.7137177.1-64.2-174179.5-174.80109.3P283P283-K285 VanDerWaalsContact CB-O 3.29Å; P283-K285 WeakPolarHBondContact CB-O 3.11Å; P283-K285 VanDerWaalsContact CG-O 3.26Å; P283-K285 WeakPolarHBondContact CG-O 3.3Å; P283-K285 PolarHBondContact O-N 3.22Å
286G93.5Very high95.3Very high63 Ų6374.5 Ų74.565%0.64939%0.386SS*.SBendtrans93.1-177.1-176.400000112.5
287D96.2Very high95.3Very high142 Ų14278.1 Ų78.176%0.75940%0.404SS*.  trans-85.4148.6-172.4-62.2-42.9000112.6
288P96.1Very high95.2Very high76 Ų7679.8 Ų79.849%0.49442%0.415SS..  trans-55.7145166-26.536.7000112.3M280 W281 R282M280-P288 HydrophobicContact CE-CB 4.5Å; W281-P288 CarbonylContact O-C 3.19Å; W281-P288 WeakPolarHBondContact O-CA 3.41Å; R282-P288 HydrophobicContact CG-CB 4.01Å; R282-P288 HydrophobicContact CG-CG 4.2Å
289M96.6Very high95.1Very high88 Ų8883.7 Ų83.743%0.43344%0.435SS..EExtended strand (participates in β ladder)trans-135.2148.2177.368.6-168.8-51.800112.2V186 W281V186-M289 HydrophobicContact CB-SD 4.18Å; V186-M289 HydrophobicContact CG1-CE 4.4Å; V186-M289 HydrophobicContact CG1-CG 4.4Å; V186-M289 HydrophobicContact CG1-SD 3.81Å; V186-M289 HydrophobicContact CG2-SD 4.14Å; W281-M289 HydrophobicContact CB-CG 3.82Å; W281-M289 HydrophobicContact CG-CG 4.27Å; W281-M289 PolarHBondContact N-O 3.38Å; W281-M289 PolarHBondContact O-N 3.4Å
290V97.3Very high94.9Very high81 Ų8187.8 Ų87.849%0.49146%0.456SS..EExtended strand (participates in β ladder)trans-80120.5169.8-177.30000107.7M280 P293M280-V290 HydrophobicContact CE-CG2 3.97Å; M280-V290 HydrophobicContact SD-CB 4.24Å; M280-V290 HydrophobicContact SD-CG2 3.66Å; V290-P293 HydrophobicContact CG1-CB 4.34Å
291V96.4Very high94.7Very high44 Ų4491.8 Ų91.827%0.26748%0.477SS..EExtended strand (participates in β ladder)trans-89.7-44.9175.5-172.20000110.3P185 V186 L279 W281P185-V291 HydrophobicContact CB-CG1 4.42Å; V186-V291 HydrophobicContact CG1-CB 4.3Å; V186-V291 HydrophobicContact CG1-CG1 4Å; V186-V291 HydrophobicContact CG1-CG2 3.45Å; V186-V291 VanDerWaalsContact CG1-CG2 3.45Å; L279-V291 HydrophobicContact CB-CB 4.27Å; L279-V291 HydrophobicContact CD2-CB 3.99Å; L279-V291 HydrophobicContact CD2-CG1 4Å; L279-V291 HydrophobicContact CG-CB 3.99Å; L279-V291 HydrophobicContact CG-CG2 4.37Å; L279-V291 WeakPolarHBondContact O-CB 3.45Å; L279-V291 PolarHBondContact O-N 3.05Å; W281-V291 HydrophobicContact CB-CG2 3.47Å; W281-V291 VanDerWaalsContact CB-CG2 3.47Å
292I96.3Very high94.5Very high71 Ų7197 Ų9736%0.36451%0.505SS..EExtended strand (participates in β ladder)trans-127.4115.5177.2-57.6174.9000107.3W125 V278 L279W125-I292 HydrophobicContact CH2-CB 4.31Å; W125-I292 HydrophobicContact CH2-CD1 3.69Å; W125-I292 HydrophobicContact CH2-CG2 4.32Å; W125-I292 HydrophobicContact CZ2-CD1 4.05Å; V278-I292 WeakPolarHBondContact CA-O 3.26Å; L279-I292 HydrophobicContact CB-CB 3.73Å; L279-I292 HydrophobicContact CB-CD1 4.1Å; L279-I292 HydrophobicContact CB-CG1 3.95Å; L279-I292 HydrophobicContact CD2-CD1 3.73Å; L279-I292 HydrophobicContact CD2-CG1 4.04Å; L279-I292 PolarHBondContact N-O 3.33Å; L279-I292 PolarHBondContact O-N 3.45Å
293P96.6Very high94.3Very high82 Ų8299.1 Ų99.153%0.53252%0.523SS..  trans-71.9165.6174.932.5-35.2000110.9V290V290-P293 HydrophobicContact CG1-CB 4.34Å
294P94.9Very high94.1Very high51 Ų51104 Ų10433%0.33155%0.546SS..  trans-66.4160.6171.331.1-31.6000110.3V278 Y296V278-P294 HydrophobicContact CG1-CB 4.06Å; V278-P294 HydrophobicContact CG1-CG 4.06Å; P294-Y296 HydrophobicContact CB-CD1 3.74Å; P294-Y296 HydrophobicContact CB-CE1 3.52Å; P294-Y296 HydrophobicContact CG-CE1 4.2Å
295K92.6Very high94Very high160 Ų160100.6 Ų100.670%0.69654%0.539SS*.  trans-92-8-176.2-64.5179.7-175.1167.70114.7D275D275-K295 HydrophobicContact CB-CB 4.31Å; D275-K295 PolarHBondContact O-N 3.08Å
296Y78.6Confident94.1Very high163 Ų16392.8 Ų92.864%0.63951%0.514SS*.  trans-109.30-170.574.4-76.1000112.7P271 D275 A276 P294P271-Y296 HydrophobicContact CB-CD1 3.9Å; P271-Y296 HydrophobicContact CB-CD2 3.96Å; P271-Y296 HydrophobicContact CB-CE1 4.34Å; P271-Y296 HydrophobicContact CB-CE2 4.33Å; P271-Y296 HydrophobicContact CB-CG 3.7Å; P271-Y296 HydrophobicContact CG-CD1 4.03Å; P271-Y296 HydrophobicContact CG-CD2 3.78Å; P271-Y296 HydrophobicContact CG-CE1 3.98Å; P271-Y296 HydrophobicContact CG-CE2 3.65Å; P271-Y296 HydrophobicContact CG-CG 3.95Å; D275-Y296 WeakPolarHBondContact O-CD1 3.5Å; A276-Y296 HydrophobicContact CB-CD1 4.28Å; A276-Y296 HydrophobicContact CB-CE1 3.76Å; P294-Y296 HydrophobicContact CB-CD1 3.74Å; P294-Y296 HydrophobicContact CB-CE1 3.52Å; P294-Y296 HydrophobicContact CG-CE1 4.2Å

Retrieved 296 of 296 residues in 224.8 ms (Link to these results)