A0A087Y1D0_POEFO Loading...

Complex I intermediate-associated protein 30, mitochondrial

As part of the MCIA complex, involved in the assembly of the mitochondrial complex I.

AlphaFold DB , UniProt , Accession A0A087Y1D0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 304 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
1M35.4Very low35.9Very low250 Ų250141.4 Ų141.4100%1.23279%0.794SS**  0131.80-76.4-178.9175.100108.1
2S32.8Very low35.6Very low102 Ų102140.6 Ų140.671%0.71381%0.805SS**  trans-57.2148.4-178.247.90000114.4
3L34Very low35.5Very low157 Ų157135.2 Ų135.282%0.82280%0.799SS**  162.6160.9115.3-88.5-175.9000111.7
4P47Very low35.4Very low95 Ų95138.4 Ų138.462%0.61781%0.809SS**  -134.6-160.7-12240.5-19.5000114.3
5N33.7Very low35.4Very low131 Ų131139.7 Ų139.770%0.70181%0.81SS**  trans81.8106.3147.1-75.7-10.2000121.8
6I40Very low35.1Very low146 Ų146146.2 Ų146.275%0.74982%0.817SS**  40.6122.6112.5-54.3163.9000118.5
7S34.4Very low35Very low105 Ų105143.7 Ų143.773%0.73481%0.812SS**  -173.5119.2127.147.70000109.5
8R35.1Very low35.3Very low243 Ų243141.8 Ų141.892%0.91781%0.809SS**  91.9134.586.3-80.4-170.3-179-173.51.7113.9
9V39.1Very low35.3Very low138 Ų138146.2 Ų146.284%0.83681%0.811SS**  trans-79.8152.4-174.7172.70000112.2
10S29.5Very low35.4Very low111 Ų111146.1 Ų146.178%0.77681%0.809SS**  trans-175.9108.5136.6-173.90000108.2
11A33.8Very low35.5Very low77 Ų77147.7 Ų147.764%0.63682%0.815SS**  67.392.771.600000114.4
12S32.7Very low35.6Very low132 Ų132146.1 Ų146.192%0.92380%0.796SS**  trans162.3127.8130.347.90000110.8
13G33.4Very low35.7Very low71 Ų71153.2 Ų153.273%0.73281%0.807SS**  trans161.672.2173.100000115.8
14L35.4Very low35.8Very low179 Ų179153.5 Ų153.594%0.93781%0.809SS**  trans85.498.1147.6-61.2165.2000119.9
15L34.8Very low35.3Very low158 Ų158157.6 Ų157.683%0.82782%0.824SS**  trans-37.1157.3145.6-75.4151.6000116.5
16R31.2Very low35.3Very low244 Ų244162.4 Ų162.492%0.92183%0.833SS**  trans95.8116.8159.8-57.6172.9-175.7-159.7-0.1112.3
17S33.2Very low34.9Very low104 Ų104160.7 Ų160.773%0.72783%0.834SS**  cis-165.2122.943.3159.10000109.6
18S40.1Very low35.1Very low109 Ų109162.4 Ų162.476%0.76284%0.84SS**  trans-69.2135.8160.244.20000110.1
19R35.7Very low35.1Very low225 Ų225154.5 Ų154.585%0.84983%0.826SS**  trans-172.3105149-98.7154.8-162.5-155.45.8110.7
20D36.3Very low34.8Very low144 Ų144153.8 Ų153.877%0.7782%0.824SS**  trans65.583.6136-55.5-33000120.7R22D20-R22 PolarHBondContact O-N 3.49Å; D20-R22 VanDerWaalsContact O-N 3.16Å
21L38.8Very low34.9Very low180 Ų180157 Ų15794%0.94283%0.832SS**  trans-74.274.9157-115155.8000110.5
22R37.3Very low34.8Very low217 Ų217157.9 Ų157.982%0.81984%0.839SS**  trans-150.248.5172.8-72.4-162.9-166.2-155.23.4115.3D20D20-R22 PolarHBondContact O-N 3.49Å; D20-R22 VanDerWaalsContact O-N 3.16Å
23W34.1Very low34.8Very low251 Ų251155.6 Ų155.695%0.95183%0.829SS**  trans-149115.1159.9-77.995.9000109.5
24L36.7Very low34.6Very low163 Ų163157.5 Ų157.585%0.85383%0.828SS**  trans169.134.4142.4-85.4173.3000112.6R26L24-R26 VanDerWaalsContact C-N 3.33Å; L24-R26 PolarHBondContact O-N 3.06Å
25L36.3Very low34.5Very low181 Ų181159.8 Ų159.895%0.94882%0.824SS**  trans-85.784153.1-77.5171.1000107.8S27L25-S27 PolarHBondContact O-N 3.03Å
26R32.6Very low34.4Very low232 Ų232163.1 Ų163.188%0.87583%0.826SS**  trans-71.4107.5171-133.8178-172-157.92.3107.1L24 V28L24-R26 VanDerWaalsContact C-N 3.33Å; L24-R26 PolarHBondContact O-N 3.06Å; R26-V28 PolarHBondContact O-N 3.06Å
27S33.2Very low34.5Very low110 Ų110156 Ų15677%0.76982%0.819SS**  trans-55128.317344.40000110.2L25 A29L25-S27 PolarHBondContact O-N 3.03Å; S27-A29 PolarHBondContact O-N 3.17Å; S27-A29 VanDerWaalsContact O-N 3.14Å
28V38.2Very low34.8Very low142 Ų142157.8 Ų157.886%0.86182%0.82SS**  trans-65.1111.2168.8176.10000106.9R26R26-V28 PolarHBondContact O-N 3.06Å
29A34Very low34.8Very low77 Ų77157.5 Ų157.564%0.63681%0.813SS**  trans-61139.417200000109.3S27 L31S27-A29 PolarHBondContact O-N 3.17Å; S27-A29 VanDerWaalsContact O-N 3.14Å; A29-L31 PolarHBondContact O-N 2.97Å
30P33.3Very low35.1Very low122 Ų122154 Ų15479%0.79281%0.806SS**  trans-63135.8175.327-32.1000109.1A32P30-A32 PolarHBondContact O-N 3.48Å
31L31Very low35.7Very low178 Ų178154.4 Ų154.493%0.93281%0.806SS**  trans-50.2105.9176.7-76.1159.6000109.9A29 A33A29-L31 PolarHBondContact O-N 2.97Å; L31-A33 PolarHBondContact O-N 2.99Å; L31-A33 VanDerWaalsContact O-N 3.07Å
32A31.5Very low36.5Very low97 Ų97148.8 Ų148.880%0.80279%0.791SS**  trans-66.5107.2172.400000108.3P30P30-A32 PolarHBondContact O-N 3.48Å
33A34Very low37.9Very low84 Ų84145.3 Ų145.369%0.69478%0.779SS**  trans-53.9135.516800000109.2L31 R35L31-A33 PolarHBondContact O-N 2.99Å; L31-A33 VanDerWaalsContact O-N 3.07Å; A33-R35 PolarHBondContact O-N 3.08Å; A33-R35 VanDerWaalsContact O-N 3.17Å
34P29.1Very low39.6Very low111 Ų111140.2 Ų140.272%0.72176%0.76SS**  trans-61.2122.4-174.422.9-31.9000110.8R36P34-R36 PolarHBondContact O-N 3.37Å
35R32.3Very low41.1Very low226 Ų226136.6 Ų136.685%0.85374%0.735SS**G310 helixtrans-58.4-4.7179.2-79.6-177.7170.8-173.9-2115.5A33 A37A33-R35 PolarHBondContact O-N 3.08Å; A33-R35 VanDerWaalsContact O-N 3.17Å; R35-A37 PolarHBondContact O-N 3.43Å
36R34.4Very low42.7Very low229 Ų229129.5 Ų129.586%0.86470%0.699SS**G310 helixtrans-75.8-15.6-173.6-78.3-175.3-1791730.8114.9P34 T39P34-R36 PolarHBondContact O-N 3.37Å; R36-T39 PolarHBondContact O-OG1 2.74Å
37A32.2Very low44.4Very low94 Ų94122.5 Ų122.578%0.77770%0.7SS**G310 helixtrans-82.3-12.8179.200000114.2R35R35-A37 PolarHBondContact O-N 3.43Å
38L40.2Very low46.5Very low142 Ų142121.9 Ų121.974%0.74369%0.685SS**G310 helixtrans-94.22.5-173.8-80.1164.4000114.5
39T39.1Very low48.2Very low102 Ų102120.6 Ų120.663%0.62668%0.68SS**  trans-113.842.7-171.856.70000113.3R36 M41R36-T39 PolarHBondContact O-OG1 2.74Å; T39-M41 VanDerWaalsContact C-N 3.33Å; T39-M41 PolarHBondContact O-N 2.94Å
40Q41.8Very low49.8Very low151 Ų151125.1 Ų125.171%0.70668%0.68SS**  trans-87.187.2151.9-67.5-147.8-40.100106.5G42Q40-G42 PolarHBondContact O-N 2.75Å
41M50.1Low51.5Low154 Ų154125.1 Ų125.176%0.75967%0.67SS**PPolyproline II helixtrans-64123.4167.7-70.4-151.376.600107.1T39T39-M41 VanDerWaalsContact C-N 3.33Å; T39-M41 PolarHBondContact O-N 2.94Å
42G55.9Low53.3Low62 Ų62123 Ų12364%0.63966%0.659SS**PPolyproline II helixtrans-57.9162.8171.200000110.8Q40 R44Q40-G42 PolarHBondContact O-N 2.75Å; G42-R44 PolarHBondContact O-N 2.89Å; G42-R44 VanDerWaalsContact O-N 3.09Å
43Y65.1Low55.2Low143 Ų143126.5 Ų126.556%0.56165%0.652SS**PPolyproline II helixtrans-51.1120.9175.6178.5-103.8000110.1R45 I124Y43-R45 HydrophobicContact CD1-CG 4.49Å; Y43-R45 HydrophobicContact CE1-CG 4.16Å; Y43-I124 HydrophobicContact CE1-CG1 4.42Å; Y43-I124 HydrophobicContact CE1-CG2 4.35Å
44R71.4Confident57.1Low144 Ų144125 Ų12554%0.54364%0.635SS.*PPolyproline II helixtrans-94.7121.6177179.7-179.2177.8-164.1-3107.3G42 Q48G42-R44 PolarHBondContact O-N 2.89Å; G42-R44 VanDerWaalsContact O-N 3.09Å; R44-Q48 PolarHBondContact NE-O 2.85Å; R44-Q48 PolarHBondContact NH2-O 3.38Å
45R68.6Low59Low87 Ų87124 Ų12433%0.32863%0.628SS.*PPolyproline II helixtrans-64.1139.7174.5-67.4-171.8-172.5-176.64.9110.3Y43 G47 Q48 R122 E123Y43-R45 HydrophobicContact CD1-CG 4.49Å; Y43-R45 HydrophobicContact CE1-CG 4.16Å; R45-G47 PolarHBondContact O-N 3.31Å; R45-Q48 HydrophobicContact CB-CG 4.13Å; R45-Q48 PolarHBondContact O-N 2.94Å; R45-R122 PolarHBondContact NH2-O 3.08Å; R45-E123 PolarHBondContact NE-O 3.15Å; R45-E123 VanDerWaalsContact NH2-C 3.27Å; R45-E123 PolarHBondContact NH2-O 2.81Å
46P69.3Low60.8Low32 Ų32121.4 Ų121.421%0.20862%0.618CS.*THydrogen-bonded Turntrans-53.4136.1169.8-23.735.9000109.7Q48 E156P46-Q48 VanDerWaalsContact C-N 3.34Å; P46-Q48 PolarHBondContact O-N 3.45Å; P46-E156 HydrophobicContact CB-CG 4.42Å; P46-E156 WeakPolarHBondContact CB-OE2 3.47Å; P46-E156 HydrophobicContact CG-CB 4.14Å; P46-E156 HydrophobicContact CG-CG 4.31Å; P46-E156 WeakPolarHBondContact CG-OE2 3.26Å
47G68.3Low62.6Low86 Ų86118.9 Ų118.989%0.88761%0.609SS**THydrogen-bonded Turntrans81.5-8.8-179.900000117.1R45R45-G47 PolarHBondContact O-N 3.31Å
48Q76Confident64.4Low97 Ų97121.5 Ų121.545%0.45360%0.599SS.*PPolyproline II helixtrans-73.8130.4172.5-83.6-175.8-17.800111.3R44 R45 P46R44-Q48 PolarHBondContact NE-O 2.85Å; R44-Q48 PolarHBondContact NH2-O 3.38Å; R45-Q48 HydrophobicContact CB-CG 4.13Å; R45-Q48 PolarHBondContact O-N 2.94Å; P46-Q48 VanDerWaalsContact C-N 3.34Å; P46-Q48 PolarHBondContact O-N 3.45Å
49P74.6Confident66Low115 Ų115118.4 Ų118.475%0.74759%0.586SS**PPolyproline II helixtrans-60.6146.7176.525.7-33000110.1E51P49-E51 PolarHBondContact O-N 3.35Å
50R67.7Low67.8Low171 Ų171123 Ų12365%0.64560%0.597SS**PPolyproline II helixtrans-66.9122.3177.4-171.2177.9-177.3165.2-0.9107.8D52R50-D52 PolarHBondContact O-N 3.14Å
51E68.5Low69.3Low123 Ų123124.9 Ų124.958%0.57560%0.603SS**  trans-71.8102.6168.1-74.2-173.514800108.3P49 R53 R58P49-E51 PolarHBondContact O-N 3.35Å; E51-R53 PolarHBondContact O-N 3.12Å; E51-R58 IonicContact OE1-NH1 2.65Å; E51-R58 PolarHBondContact OE1-NH1 3.29Å; E51-R58 IonicContact OE2-CZ 2.71Å; E51-R58 IonicContact OE2-NH1 2.73Å; E51-R58 PolarHBondContact OE2-NH1 2.54Å; E51-R58 IonicContact OE2-NH2 3.82Å; E51-R58 PolarHBondContact OE2-NH2 3.45Å
52D68.6Low71Confident134 Ų134120.8 Ų120.872%0.71758%0.584SS**  trans-78.26178.6-64.1-33.3000113.1R50R50-D52 PolarHBondContact O-N 3.14Å
53R72.9Confident72.3Confident169 Ų169125.5 Ų125.564%0.63859%0.594SS**SBendtrans-77126179.5-63.6-177.5-174.5175.62.3109.6E51E51-R53 PolarHBondContact O-N 3.12Å
54P72.8Confident73.3Confident52 Ų52122.1 Ų122.134%0.33860%0.596SS.*  trans-61.8143.617624.9-32.5000110.4W56 W57P54-W56 HydrophobicContact CB-CD2 4.48Å; P54-W56 HydrophobicContact CB-CG 4.46Å; P54-W56 HydrophobicContact CB-CZ2 4.3Å; P54-W56 HydrophobicContact CG-CD2 4.41Å; P54-W56 HydrophobicContact CG-CZ2 3.79Å; P54-W56 PolarHBondContact O-N 2.76Å; P54-W57 HydrophobicContact CG-CB 4.47Å; P54-W57 WeakPolarHBondContact O-CB 3.47Å; P54-W57 PolarHBondContact O-N 3.42Å
55P70.4Confident74Confident90 Ų90122.2 Ų122.258%0.58460%0.6SS**G310 helixtrans-55.3-32.8-172-28.134.1000114.7W57 R58P55-W57 VanDerWaalsContact C-N 3.26Å; P55-W57 PolarHBondContact O-N 3.03Å; P55-R58 PolarHBondContact O-N 2.96Å
56W70.3Confident74.7Confident172 Ų172120 Ų12065%0.65260%0.604SS**G310 helixtrans-69.8-17.5-178.155.3-97.1000114.1P54 R58 V59P54-W56 HydrophobicContact CB-CD2 4.48Å; P54-W56 HydrophobicContact CB-CG 4.46Å; P54-W56 HydrophobicContact CB-CZ2 4.3Å; P54-W56 HydrophobicContact CG-CD2 4.41Å; P54-W56 HydrophobicContact CG-CZ2 3.79Å; P54-W56 PolarHBondContact O-N 2.76Å; W56-R58 VanDerWaalsContact C-N 3.28Å; W56-R58 PolarHBondContact O-N 3.39Å; W56-V59 WeakPolarHBondContact O-CB 3.42Å; W56-V59 PolarHBondContact O-N 2.67Å
57W71.2Confident75.6Confident176 Ų176124.7 Ų124.767%0.66763%0.627SS**G310 helixtrans-70.2-24179.2-161.9-86.4000113.3P54 P55 V59P54-W57 HydrophobicContact CG-CB 4.47Å; P54-W57 WeakPolarHBondContact O-CB 3.47Å; P54-W57 PolarHBondContact O-N 3.42Å; P55-W57 VanDerWaalsContact C-N 3.26Å; P55-W57 PolarHBondContact O-N 3.03Å; W57-V59 VanDerWaalsContact C-N 3.31Å
58R68.9Low76.6Confident149 Ų149128.4 Ų128.456%0.56262%0.619SS**G310 helixtrans-83.2-7.4175.6-75.3-170.8-92.1-143.5-7.5113.2E51 P55 W56 K60E51-R58 IonicContact OE1-NH1 2.65Å; E51-R58 PolarHBondContact OE1-NH1 3.29Å; E51-R58 IonicContact OE2-CZ 2.71Å; E51-R58 IonicContact OE2-NH1 2.73Å; E51-R58 PolarHBondContact OE2-NH1 2.54Å; E51-R58 IonicContact OE2-NH2 3.82Å; E51-R58 PolarHBondContact OE2-NH2 3.45Å; P55-R58 PolarHBondContact O-N 2.96Å; W56-R58 VanDerWaalsContact C-N 3.28Å; W56-R58 PolarHBondContact O-N 3.39Å; R58-K60 PolarHBondContact O-N 2.91Å
59V74.5Confident77.1Confident77 Ų77125 Ų12547%0.46761%0.609SS.*  trans-81.7102.1-175.9-176.40000109.1W56 W57 F61W56-V59 WeakPolarHBondContact O-CB 3.42Å; W56-V59 PolarHBondContact O-N 2.67Å; W57-V59 VanDerWaalsContact C-N 3.31Å; V59-F61 HydrophobicContact CG1-CD1 4.45Å; V59-F61 HydrophobicContact CG1-CD2 4.42Å; V59-F61 HydrophobicContact CG1-CE1 4.13Å; V59-F61 HydrophobicContact CG1-CE2 4.09Å; V59-F61 HydrophobicContact CG1-CZ 3.94Å; V59-F61 PolarHBondContact O-N 2.83Å
60K77.1Confident77.7Confident198 Ų198124.8 Ų124.886%0.86160%0.6SS**  trans-81.6108167.9-67.3-174.4179.4-177.20108.4R58 D62R58-K60 PolarHBondContact O-N 2.91Å; K60-D62 PolarHBondContact O-N 2.78Å
61F73.9Confident78.9Confident192 Ų192124.5 Ų124.584%0.84260%0.603SS**  trans-70.9116.4173.2-69.4-79.7000109.6V59V59-F61 HydrophobicContact CG1-CD1 4.45Å; V59-F61 HydrophobicContact CG1-CD2 4.42Å; V59-F61 HydrophobicContact CG1-CE1 4.13Å; V59-F61 HydrophobicContact CG1-CE2 4.09Å; V59-F61 HydrophobicContact CG1-CZ 3.94Å; V59-F61 PolarHBondContact O-N 2.83Å
62D84.4Confident79.8Confident67 Ų67127.3 Ų127.336%0.35861%0.609SS.*  trans-124.9104.1178.5-176.4-16.5000107.5K60 A64 K65 G66K60-D62 PolarHBondContact O-N 2.78Å; D62-A64 PolarHBondContact O-N 2.82Å; D62-A64 PolarHBondContact OD1-N 2.92Å; D62-K65 HydrophobicContact CB-CB 4.09Å; D62-K65 HydrophobicContact CB-CD 3.9Å; D62-K65 HydrophobicContact CB-CG 4.09Å; D62-K65 PolarHBondContact O-N 3.06Å; D62-K65 PolarHBondContact OD1-N 2.86Å; D62-K65 VanDerWaalsContact OD2-CD 3.25Å; D62-K65 WeakPolarHBondContact OD2-CD 3.34Å; D62-K65 WeakPolarHBondContact OD2-CE 3.33Å; D62-K65 WeakPolarHBondContact OD2-CG 3.42Å; D62-K65 IonicContact OD2-NZ 2.8Å; D62-K65 PolarHBondContact OD2-NZ 2.78Å; D62-G66 PolarHBondContact O-N 2.82Å
63L83.6Confident80.9Confident162 Ų162122.6 Ų122.685%0.84858%0.582SS**Hα-helixtrans-61.4-33.5-175.4-71.4169.9000111.8G66 L67L63-G66 PolarHBondContact O-N 2.8Å; L63-L67 PolarHBondContact O-N 2.79Å
64A86.2Confident81.7Confident72 Ų72120.5 Ų120.560%0.59558%0.578SS**Hα-helixtrans-67.1-40.2178.200000111.3D62 K68D62-A64 PolarHBondContact O-N 2.82Å; D62-A64 PolarHBondContact OD1-N 2.92Å; A64-K68 WeakPolarHBondContact O-CB 3.39Å; A64-K68 PolarHBondContact O-N 3.42Å
65K85.6Confident82.5Confident146 Ų146124.7 Ų124.764%0.63559%0.591SS**Hα-helixtrans-65-40.1171.8-70.8178.6-171.4153.50111.7D62 K68 G69D62-K65 HydrophobicContact CB-CB 4.09Å; D62-K65 HydrophobicContact CB-CD 3.9Å; D62-K65 HydrophobicContact CB-CG 4.09Å; D62-K65 PolarHBondContact O-N 3.06Å; D62-K65 PolarHBondContact OD1-N 2.86Å; D62-K65 VanDerWaalsContact OD2-CD 3.25Å; D62-K65 WeakPolarHBondContact OD2-CD 3.34Å; D62-K65 WeakPolarHBondContact OD2-CE 3.33Å; D62-K65 WeakPolarHBondContact OD2-CG 3.42Å; D62-K65 IonicContact OD2-NZ 2.8Å; D62-K65 PolarHBondContact OD2-NZ 2.78Å; K65-K68 PolarHBondContact O-N 2.92Å; K65-G69 PolarHBondContact O-N 2.95Å
66G84.8Confident83.4Confident40 Ų40122.3 Ų122.341%0.41257%0.573SS.*Hα-helixtrans-58.3-50.3175.300000112.3D62 L63 K68 G69 M70D62-G66 PolarHBondContact O-N 2.82Å; L63-G66 PolarHBondContact O-N 2.8Å; G66-K68 PolarHBondContact O-N 2.8Å; G66-G69 WeakPolarHBondContact O-CA 3.3Å; G66-G69 PolarHBondContact O-N 3.25Å; G66-G69 VanDerWaalsContact O-N 3.15Å; G66-M70 WeakPolarHBondContact O-CG 3.24Å; G66-M70 PolarHBondContact O-N 2.88Å
67L88.3Confident84.3Confident131 Ų131116.1 Ų116.169%0.68655%0.553SS**Hα-helixtrans-66.1-38.1-179.3-153.4126.1000112.1L63 M70 K71L63-L67 PolarHBondContact O-N 2.79Å; L67-M70 PolarHBondContact O-N 2.99Å; L67-K71 PolarHBondContact O-N 3.05Å
68K88.8Confident85.2Confident164 Ų164114.1 Ų114.171%0.71355%0.548SS*.Hα-helixtrans-63.5-41171.9-171.9177-178.61780111.8A64 K65 G66 K71 R72A64-K68 WeakPolarHBondContact O-CB 3.39Å; A64-K68 PolarHBondContact O-N 3.42Å; K65-K68 PolarHBondContact O-N 2.92Å; G66-K68 PolarHBondContact O-N 2.8Å; K68-K71 PolarHBondContact O-N 2.8Å; K68-R72 PolarHBondContact O-N 3.09Å
69G86Confident86Confident25 Ų25111.5 Ų111.526%0.25854%0.543SS..Hα-helixtrans-61.9-47.4174.600000112K65 G66 K71 R72 H73K65-G69 PolarHBondContact O-N 2.95Å; G66-G69 WeakPolarHBondContact O-CA 3.3Å; G66-G69 PolarHBondContact O-N 3.25Å; G66-G69 VanDerWaalsContact O-N 3.15Å; G69-K71 PolarHBondContact O-N 3.02Å; G69-R72 WeakPolarHBondContact O-CB 3.49Å; G69-R72 PolarHBondContact O-N 3.31Å; G69-R72 VanDerWaalsContact O-N 3.11Å; G69-H73 PolarHBondContact O-CD2 3.25Å; G69-H73 PolarHBondContact O-N 3.17Å
70M88.2Confident86.5Confident111 Ų111110.7 Ų110.755%0.54753%0.534SS..Hα-helixtrans-56.9-48.8174.6-72.2-179.666.300111.4G66 L67 R72 H73 F74G66-M70 WeakPolarHBondContact O-CG 3.24Å; G66-M70 PolarHBondContact O-N 2.88Å; L67-M70 PolarHBondContact O-N 2.99Å; M70-R72 VanDerWaalsContact C-N 3.25Å; M70-R72 PolarHBondContact O-N 3.01Å; M70-H73 PolarHBondContact O-N 3.05Å; M70-H73 VanDerWaalsContact O-N 3.13Å; M70-F74 HydrophobicContact CB-CD2 4.44Å; M70-F74 HydrophobicContact CB-CE2 4.49Å; M70-F74 HydrophobicContact CE-CE2 4.02Å; M70-F74 WeakPolarHBondContact O-CD2 3.48Å; M70-F74 PolarHBondContact O-N 2.71Å
71K91.3Very high86.9Confident165 Ų165107.8 Ų107.872%0.71752%0.521SS*.Hα-helixtrans-57.7-39177.3-172175.2-179176.40112L67 K68 G69 K75L67-K71 PolarHBondContact O-N 3.05Å; K68-K71 PolarHBondContact O-N 2.8Å; G69-K71 PolarHBondContact O-N 3.02Å; K71-K75 PolarHBondContact O-N 2.8Å; K71-K75 VanDerWaalsContact O-N 3.08Å
72R88.9Confident87.3Confident181 Ų181104.3 Ų104.368%0.68351%0.506SS*.Hα-helixtrans-64.4-48.3174.8-176.1-176.7179.8-177.90.6111.6K68 G69 M70 K75 L76K68-R72 PolarHBondContact O-N 3.09Å; G69-R72 WeakPolarHBondContact O-CB 3.49Å; G69-R72 PolarHBondContact O-N 3.31Å; G69-R72 VanDerWaalsContact O-N 3.11Å; M70-R72 VanDerWaalsContact C-N 3.25Å; M70-R72 PolarHBondContact O-N 3.01Å; R72-K75 WeakPolarHBondContact O-CB 3.47Å; R72-K75 PolarHBondContact O-N 3.18Å; R72-L76 HydrophobicContact CG-CD1 4.32Å; R72-L76 WeakPolarHBondContact O-CG 3.18Å; R72-L76 PolarHBondContact O-N 2.6Å
73H91Very high86.8Confident36 Ų36103.3 Ų103.317%0.16751%0.507CS..Hα-helixtrans-65.9-37.4179.3-68.6-60.4000112.8G69 M70 K75 L76 L77 F174 D175G69-H73 PolarHBondContact O-CD2 3.25Å; G69-H73 PolarHBondContact O-N 3.17Å; M70-H73 PolarHBondContact O-N 3.05Å; M70-H73 VanDerWaalsContact O-N 3.13Å; H73-K75 VanDerWaalsContact C-N 3.3Å; H73-K75 PolarHBondContact O-N 3.34Å; H73-L76 PolarHBondContact O-N 3.23Å; H73-L77 VanDerWaalsContact O-CB 3.24Å; H73-L77 WeakPolarHBondContact O-CB 3.3Å; H73-L77 PolarHBondContact O-N 3.14Å; H73-F174 PolarHBondContact ND1-N 3.46Å; H73-F174 VanDerWaalsContact ND1-N 3.14Å; H73-D175 IonicContact CE1-OD1 3.23Å; H73-D175 PolarHBondContact CE1-OD1 2.76Å; H73-D175 IonicContact CE1-OD2 3.27Å
74F90.3Very high86.3Confident125 Ų125100.1 Ų100.155%0.54850%0.496SS..Hα-helixtrans-63.1-37.2172.5-83.5-68.7000112.1M70 L77 K78M70-F74 HydrophobicContact CB-CD2 4.44Å; M70-F74 HydrophobicContact CB-CE2 4.49Å; M70-F74 HydrophobicContact CE-CE2 4.02Å; M70-F74 WeakPolarHBondContact O-CD2 3.48Å; M70-F74 PolarHBondContact O-N 2.71Å; F74-L77 PolarHBondContact O-N 3.08Å; F74-K78 WeakPolarHBondContact O-CB 3.36Å; F74-K78 PolarHBondContact O-N 3.16Å
75K89.9Confident85.7Confident139 Ų139105 Ų10560%0.60450%0.504SS*.Hα-helixtrans-64.4-48.7174.3-171.4-174.7178.9-161.20111.4K71 R72 H73 L77 K78 E79K71-K75 PolarHBondContact O-N 2.8Å; K71-K75 VanDerWaalsContact O-N 3.08Å; R72-K75 WeakPolarHBondContact O-CB 3.47Å; R72-K75 PolarHBondContact O-N 3.18Å; H73-K75 VanDerWaalsContact C-N 3.3Å; H73-K75 PolarHBondContact O-N 3.34Å; K75-L77 VanDerWaalsContact C-N 3.28Å; K75-L77 PolarHBondContact O-N 3.06Å; K75-K78 WeakPolarHBondContact O-CB 3.38Å; K75-K78 PolarHBondContact O-N 3.18Å; K75-E79 WeakPolarHBondContact CE-OE1 3.38Å; K75-E79 IonicContact NZ-OE1 3.43Å; K75-E79 WeakPolarHBondContact O-CG 3.26Å; K75-E79 PolarHBondContact O-N 3.23Å
76L88.1Confident85.1Confident41 Ų41102.3 Ų102.322%0.21550%0.499CS..Hα-helixtrans-60.1-39.7176.5-69.5171.8000111.7R72 H73 E79 E80 S173R72-L76 HydrophobicContact CG-CD1 4.32Å; R72-L76 WeakPolarHBondContact O-CG 3.18Å; R72-L76 PolarHBondContact O-N 2.6Å; H73-L76 PolarHBondContact O-N 3.23Å; L76-E79 PolarHBondContact O-N 3.24Å; L76-E80 PolarHBondContact O-N 2.72Å; L76-S173 WeakPolarHBondContact CB-OG 3.48Å; L76-S173 PolarHBondContact O-OG 2.71Å
77L90.1Very high84.2Confident42 Ų42100.6 Ų100.622%0.2248%0.482CS..Hα-helixtrans-66.8-43.6-179.9-179.4146.5000109.9H73 F74 K75 E79 E80 F81 S173 F174H73-L77 VanDerWaalsContact O-CB 3.24Å; H73-L77 WeakPolarHBondContact O-CB 3.3Å; H73-L77 PolarHBondContact O-N 3.14Å; F74-L77 PolarHBondContact O-N 3.08Å; K75-L77 VanDerWaalsContact C-N 3.28Å; K75-L77 PolarHBondContact O-N 3.06Å; L77-E79 VanDerWaalsContact C-N 3.32Å; L77-E79 PolarHBondContact O-N 3.49Å; L77-E80 PolarHBondContact O-N 2.82Å; L77-F81 HydrophobicContact CD1-CE2 4.3Å; L77-F81 HydrophobicContact CD2-CD2 3.47Å; L77-F81 VanDerWaalsContact CD2-CD2 3.47Å; L77-F81 HydrophobicContact CD2-CE2 3.55Å; L77-F81 HydrophobicContact CG-CD2 3.81Å; L77-F81 HydrophobicContact CG-CE2 3.77Å; L77-F81 VanDerWaalsContact O-CD2 3.29Å; L77-F81 WeakPolarHBondContact O-CD2 3.35Å; L77-F81 PolarHBondContact O-N 2.94Å; L77-S173 WeakPolarHBondContact CA-OG 3.11Å; L77-S173 PolarHBondContact N-OG 3.02Å; L77-F174 HydrophobicContact CD1-CE2 3.64Å; L77-F174 HydrophobicContact CD1-CZ 4.1Å
78K88.8Confident83.3Confident133 Ų13397.1 Ų97.158%0.57847%0.467SS*.Hα-helixtrans-56.1-49.1173.3-169.1-178177.2-177.50110.6F74 K75 E80 F81 F82F74-K78 WeakPolarHBondContact O-CB 3.36Å; F74-K78 PolarHBondContact O-N 3.16Å; K75-K78 WeakPolarHBondContact O-CB 3.38Å; K75-K78 PolarHBondContact O-N 3.18Å; K78-E80 PolarHBondContact O-N 3.16Å; K78-F81 PolarHBondContact O-N 3.42Å; K78-F82 HydrophobicContact CD-CE2 4.27Å; K78-F82 HydrophobicContact CG-CD2 3.65Å; K78-F82 HydrophobicContact CG-CE2 3.54Å; K78-F82 WeakPolarHBondContact O-CD2 3.09Å; K78-F82 PolarHBondContact O-N 2.83Å; K78-F82 VanDerWaalsContact O-N 3.11Å
79E85.7Confident82.1Confident95 Ų9595.3 Ų95.344%0.44446%0.463SS..Hα-helixtrans-59.9-42.3177.6-71.3167.6-173.600112.1K75 L76 L77 F82 A83K75-E79 WeakPolarHBondContact CE-OE1 3.38Å; K75-E79 IonicContact NZ-OE1 3.43Å; K75-E79 WeakPolarHBondContact O-CG 3.26Å; K75-E79 PolarHBondContact O-N 3.23Å; L76-E79 PolarHBondContact O-N 3.24Å; L77-E79 VanDerWaalsContact C-N 3.32Å; L77-E79 PolarHBondContact O-N 3.49Å; E79-F82 PolarHBondContact O-N 3.22Å; E79-A83 WeakPolarHBondContact O-CB 3.41Å; E79-A83 PolarHBondContact O-N 2.78Å
80E84.7Confident81.2Confident60 Ų6096.2 Ų96.228%0.2847%0.472SS..Hα-helixtrans-63.4-39.7175.6-81.3166.2-149.500113.6L76 L77 K78 P84 A172 S173 R176L76-E80 PolarHBondContact O-N 2.72Å; L77-E80 PolarHBondContact O-N 2.82Å; K78-E80 PolarHBondContact O-N 3.16Å; E80-P84 WeakPolarHBondContact O-CD 3.48Å; E80-A172 VanDerWaalsContact OE1-CA 3.26Å; E80-A172 WeakPolarHBondContact OE1-CA 3.19Å; E80-A172 WeakPolarHBondContact OE1-CB 3.15Å; E80-S173 PolarHBondContact OE1-N 3.33Å; E80-S173 PolarHBondContact OE1-OG 3.03Å; E80-S173 PolarHBondContact OE2-OG 3.03Å; E80-R176 IonicContact OE2-NH2 3.03Å; E80-R176 PolarHBondContact OE2-NH2 3.22Å; E80-R176 VanDerWaalsContact OE2-NH2 3.08Å
81F85.9Confident80.5Confident136 Ų13694.9 Ų94.960%0.59646%0.463SS*.Hα-helixtrans-69.9-35.2179-91.5-79.1000112.3L77 K78 F85L77-F81 HydrophobicContact CD1-CE2 4.3Å; L77-F81 HydrophobicContact CD2-CD2 3.47Å; L77-F81 VanDerWaalsContact CD2-CD2 3.47Å; L77-F81 HydrophobicContact CD2-CE2 3.55Å; L77-F81 HydrophobicContact CG-CD2 3.81Å; L77-F81 HydrophobicContact CG-CE2 3.77Å; L77-F81 VanDerWaalsContact O-CD2 3.29Å; L77-F81 WeakPolarHBondContact O-CD2 3.35Å; L77-F81 PolarHBondContact O-N 2.94Å; K78-F81 PolarHBondContact O-N 3.42Å; F81-F85 WeakPolarHBondContact O-CD2 3.07Å
82F83Confident79.8Confident120 Ų12090 Ų9053%0.52645%0.449SS..Hα-helixtrans-89.9-26.5-178-70.7-65.4000114K78 E79 F85K78-F82 HydrophobicContact CD-CE2 4.27Å; K78-F82 HydrophobicContact CG-CD2 3.65Å; K78-F82 HydrophobicContact CG-CE2 3.54Å; K78-F82 WeakPolarHBondContact O-CD2 3.09Å; K78-F82 PolarHBondContact O-N 2.83Å; K78-F82 VanDerWaalsContact O-N 3.11Å; E79-F82 PolarHBondContact O-N 3.22Å; F82-F85 WeakPolarHBondContact O-CB 3.45Å; F82-F85 PolarHBondContact O-N 2.85Å
83A74.7Confident79.1Confident45 Ų4586.2 Ų86.237%0.37244%0.441SS..Hα-helixtrans-55.4-44.1-178.500000113.5E79 F85 V86 G87E79-A83 WeakPolarHBondContact O-CB 3.41Å; E79-A83 PolarHBondContact O-N 2.78Å; A83-F85 PolarHBondContact O-N 2.81Å; A83-F85 VanDerWaalsContact O-N 3.17Å; A83-V86 PolarHBondContact O-N 2.88Å; A83-G87 CarbonylContact O-C 3.54Å; A83-G87 PolarHBondContact O-N 2.95Å
84P72.8Confident78.2Confident95 Ų9591.5 Ų91.562%0.61747%0.467SS*.Hα-helixtrans-59.5-27.6177-25.534.8000114.3E80E80-P84 WeakPolarHBondContact O-CD 3.48Å
85F73.8Confident77.6Confident176 Ų17690.7 Ų90.777%0.77247%0.465SS*.Hα-helixtrans-76.3-25.9-179.8-73.7-82.6000113.5F81 F82 A83F81-F85 WeakPolarHBondContact O-CD2 3.07Å; F82-F85 WeakPolarHBondContact O-CB 3.45Å; F82-F85 PolarHBondContact O-N 2.85Å; A83-F85 PolarHBondContact O-N 2.81Å; A83-F85 VanDerWaalsContact O-N 3.17Å
86V72.4Confident76.8Confident88 Ų8885.5 Ų85.553%0.53344%0.443SS..Hα-helixtrans-93.4-21.4176.5-170.60000110.8A83 G90 K91A83-V86 PolarHBondContact O-N 2.88Å; V86-G90 WeakPolarHBondContact CG1-O 3.29Å; V86-K91 CarbonylContact O-C 3.55Å; V86-K91 VanDerWaalsContact O-O 3.11Å
87G66.4Low75.9Confident4 Ų489.7 Ų89.74%0.04146%0.463CS..  trans104.9171.5-175.800000112.2A83 M89 G90 K91A83-G87 CarbonylContact O-C 3.54Å; A83-G87 PolarHBondContact O-N 2.95Å; G87-M89 PolarHBondContact O-N 3.12Å; G87-G90 PolarHBondContact O-N 3.42Å; G87-G90 VanDerWaalsContact O-N 3.09Å; G87-K91 CarbonylContact C-O 3.59Å; G87-K91 VanDerWaalsContact CA-O 3.26Å; G87-K91 WeakPolarHBondContact CA-O 3.43Å
88P67.7Low75.3Confident58 Ų5894.1 Ų94.138%0.37749%0.486SS..G310 helixtrans-52.3131.2-179.9-2332.5000111.3G90 K91P88-G90 PolarHBondContact O-N 3.11Å; P88-K91 PolarHBondContact O-N 3.45Å; P88-K91 VanDerWaalsContact O-N 3.14Å
89M63.8Low74.7Confident127 Ų12789.7 Ų89.763%0.62647%0.468SS*.G310 helixtrans5720.1179.6-58-62.3176.300115.4G87 K91G87-M89 PolarHBondContact O-N 3.12Å; M89-K91 VanDerWaalsContact C-N 3.33Å
90G66.9Low74.5Confident44 Ų4490 Ų9045%0.45447%0.469SS..G310 helixtrans78.715.2179.700000114.3V86 G87 P88V86-G90 WeakPolarHBondContact CG1-O 3.29Å; G87-G90 PolarHBondContact O-N 3.42Å; G87-G90 VanDerWaalsContact O-N 3.09Å; P88-G90 PolarHBondContact O-N 3.11Å
91K73.8Confident74.6Confident83 Ų8391.8 Ų91.836%0.36148%0.48SS..SBendtrans-109.2145.3173.1-62.7-175-175.6-177.90110.4V86 G87 P88 M89 E99V86-K91 CarbonylContact O-C 3.55Å; V86-K91 VanDerWaalsContact O-O 3.11Å; G87-K91 CarbonylContact C-O 3.59Å; G87-K91 VanDerWaalsContact CA-O 3.26Å; G87-K91 WeakPolarHBondContact CA-O 3.43Å; P88-K91 PolarHBondContact O-N 3.45Å; P88-K91 VanDerWaalsContact O-N 3.14Å; M89-K91 VanDerWaalsContact C-N 3.33Å; K91-E99 WeakPolarHBondContact CD-OE1 3.41Å; K91-E99 WeakPolarHBondContact CE-OE1 3.22Å; K91-E99 IonicContact NZ-OE1 3.98Å; K91-E99 PolarHBondContact NZ-OE1 2.82Å
92P77.9Confident74.8Confident63 Ų6386.8 Ų86.841%0.40946%0.459SS..  trans-58.6142.9173.624.5-31.8000110.2M94 E95 H96P92-M94 PolarHBondContact O-N 2.88Å; P92-M94 VanDerWaalsContact O-N 3.08Å; P92-E95 WeakPolarHBondContact CD-OE2 3.36Å; P92-E95 HydrophobicContact CG-CB 4.06Å; P92-E95 VanDerWaalsContact CG-CD 3.44Å; P92-E95 HydrophobicContact CG-CG 3.79Å; P92-E95 PolarHBondContact O-N 2.79Å; P92-H96 PolarHBondContact O-N 2.78Å; P92-H96 VanDerWaalsContact O-N 3.12Å
93I73.1Confident75.1Confident100 Ų10084.1 Ų84.151%0.51345%0.453SS..Hα-helixtrans-53.5-37-173.9-66.1164.7000112.1H96 M97I93-H96 PolarHBondContact O-N 3.49Å; I93-M97 HydrophobicContact CG2-CE 4.47Å; I93-M97 HydrophobicContact CG2-CG 4.24Å; I93-M97 WeakPolarHBondContact O-CB 3.13Å; I93-M97 VanDerWaalsContact O-CG 3.24Å; I93-M97 WeakPolarHBondContact O-CG 3.38Å; I93-M97 PolarHBondContact O-N 3.34Å
94M72.6Confident75.9Confident148 Ų14883.8 Ų83.873%0.72944%0.444SS*.Hα-helixtrans-62.9-43.4179.1-63.1-63-87.600112.2P92 M97 L98P92-M94 PolarHBondContact O-N 2.88Å; P92-M94 VanDerWaalsContact O-N 3.08Å; M94-M97 PolarHBondContact O-N 3.13Å; M94-L98 WeakPolarHBondContact O-CD1 3.46Å; M94-L98 VanDerWaalsContact O-CG 3.26Å; M94-L98 WeakPolarHBondContact O-CG 3.38Å; M94-L98 PolarHBondContact O-N 2.7Å
95E76.8Confident76.8Confident108 Ų10880 Ų8051%0.50542%0.417SS..Hα-helixtrans-66.5-44.2176.6-73.4177.3-171.400110.5P92 M97 L98 E99P92-E95 WeakPolarHBondContact CD-OE2 3.36Å; P92-E95 HydrophobicContact CG-CB 4.06Å; P92-E95 VanDerWaalsContact CG-CD 3.44Å; P92-E95 HydrophobicContact CG-CG 3.79Å; P92-E95 PolarHBondContact O-N 2.79Å; E95-M97 VanDerWaalsContact C-N 3.28Å; E95-M97 PolarHBondContact O-N 2.65Å; E95-L98 CarbonylContact O-C 3.6Å; E95-L98 PolarHBondContact O-N 2.7Å; E95-E99 WeakPolarHBondContact O-CG 3.46Å; E95-E99 PolarHBondContact O-N 3.47Å
96H73.3Confident77.5Confident30 Ų3075.3 Ų75.314%0.13940%0.398CS..Hα-helixtrans-60.8-35.8178.3-173.757.3000113.1P92 I93 L98 E99P92-H96 PolarHBondContact O-N 2.78Å; P92-H96 VanDerWaalsContact O-N 3.12Å; I93-H96 PolarHBondContact O-N 3.49Å; H96-L98 VanDerWaalsContact C-N 3.35Å; H96-E99 IonicContact ND1-OE2 3.08Å; H96-E99 PolarHBondContact ND1-OE2 3.15Å; H96-E99 PolarHBondContact O-N 3.04Å
97M70.6Confident78.2Confident128 Ų12871.2 Ų71.263%0.63137%0.373SS*.Hα-helixtrans-72.5-27.8175.5-71.7-70.617800113.2I93 M94 E95I93-M97 HydrophobicContact CG2-CE 4.47Å; I93-M97 HydrophobicContact CG2-CG 4.24Å; I93-M97 WeakPolarHBondContact O-CB 3.13Å; I93-M97 VanDerWaalsContact O-CG 3.24Å; I93-M97 WeakPolarHBondContact O-CG 3.38Å; I93-M97 PolarHBondContact O-N 3.34Å; M94-M97 PolarHBondContact O-N 3.13Å; E95-M97 VanDerWaalsContact C-N 3.28Å; E95-M97 PolarHBondContact O-N 2.65Å
98L75.9Confident79.1Confident135 Ų13579.5 Ų79.571%0.70740%0.403SS*.Hα-helixtrans-84.3-16.2177.3-70.5168.7000112.6M94 E95 H96 Q100M94-L98 WeakPolarHBondContact O-CD1 3.46Å; M94-L98 VanDerWaalsContact O-CG 3.26Å; M94-L98 WeakPolarHBondContact O-CG 3.38Å; M94-L98 PolarHBondContact O-N 2.7Å; E95-L98 CarbonylContact O-C 3.6Å; E95-L98 PolarHBondContact O-N 2.7Å; H96-L98 VanDerWaalsContact C-N 3.35Å; L98-Q100 PolarHBondContact O-N 3.19Å
99E76.8Confident80Confident41 Ų4177.3 Ų77.319%0.19239%0.391CS..  trans-62.5108.4178.5-82.2176.8167.200111.2K91 E95 H96 F185K91-E99 WeakPolarHBondContact CD-OE1 3.41Å; K91-E99 WeakPolarHBondContact CE-OE1 3.22Å; K91-E99 IonicContact NZ-OE1 3.98Å; K91-E99 PolarHBondContact NZ-OE1 2.82Å; E95-E99 WeakPolarHBondContact O-CG 3.46Å; E95-E99 PolarHBondContact O-N 3.47Å; H96-E99 IonicContact ND1-OE2 3.08Å; H96-E99 PolarHBondContact ND1-OE2 3.15Å; H96-E99 PolarHBondContact O-N 3.04Å; E99-F185 WeakPolarHBondContact O-CE1 3.16Å
100Q81.2Confident80.9Confident102 Ų10275.3 Ų75.348%0.47739%0.388SS..SBendtrans-78.6-33.1174.2-65.5177.2-800111.4L98 C284 K285 Y287L98-Q100 PolarHBondContact O-N 3.19Å; Q100-C284 CarbonylContact O-C 3.55Å; Q100-C284 VanDerWaalsContact O-CA 3.3Å; Q100-C284 WeakPolarHBondContact O-CA 3.14Å; Q100-K285 PolarHBondContact O-N 2.92Å; Q100-Y287 HydrophobicContact CG-CE2 4.25Å
101N88.2Confident81.9Confident96 Ų9680 Ų8051%0.51340%0.397SS..EExtended strand (participates in β ladder)trans-129.3130.1-176.2-62.3-19.7000109.8V283 C284N101-V283 WeakPolarHBondContact CA-O 3.23Å; N101-C284 WeakPolarHBondContact OD1-CB 3.32Å; N101-C284 PolarHBondContact OD1-SG 3.43Å
102Q88.8Confident82.5Confident32 Ų3276.9 Ų76.915%0.1539%0.386CS..EExtended strand (participates in β ladder)trans-128.4127.9175.4-175.4179.89.200109.8L104 F185 G282 V283Q102-L104 HydrophobicContact CG-CD2 4.32Å; Q102-F185 HydrophobicContact CB-CE1 4.23Å; Q102-F185 HydrophobicContact CB-CE2 4.34Å; Q102-F185 HydrophobicContact CB-CZ 3.72Å; Q102-F185 VanDerWaalsContact OE1-CE2 3.29Å; Q102-G282 CarbonylContact O-C 3.59Å; Q102-G282 WeakPolarHBondContact O-CA 3.26Å; Q102-V283 HydrophobicContact CB-CG2 3.93Å; Q102-V283 PolarHBondContact N-O 3.19Å; Q102-V283 PolarHBondContact O-N 3.23Å
103V90.8Very high82.9Confident64 Ų6475.3 Ų75.339%0.38837%0.374SS..EExtended strand (participates in β ladder)trans-88.5125.7171.1-170.20000108.4E106 F280V103-E106 HydrophobicContact CB-CG 4.33Å; V103-E106 HydrophobicContact CG1-CG 3.39Å; V103-F280 HydrophobicContact CG1-CB 3.88Å; V103-F280 HydrophobicContact CG1-CD2 4.19Å; V103-F280 HydrophobicContact CG1-CG 4.32Å; V103-F280 HydrophobicContact CG2-CD2 4.48Å
104L90.2Very high83.6Confident38 Ų3876.7 Ų76.720%0.19938%0.379CS..EExtended strand (participates in β ladder)trans-98.1-43.7-175.8-66.3174.9000111.5Q102 W182 I281 V283Q102-L104 HydrophobicContact CG-CD2 4.32Å; L104-W182 HydrophobicContact CD1-CD2 4.4Å; L104-W182 VanDerWaalsContact CD1-CE2 3.46Å; L104-W182 HydrophobicContact CD1-CZ2 3.56Å; L104-W182 VanDerWaalsContact CD1-NE1 3.29Å; L104-I281 PolarHBondContact N-O 3.32Å; L104-V283 HydrophobicContact CD1-CG1 3.7Å; L104-V283 HydrophobicContact CD1-CG2 4.18Å; L104-V283 HydrophobicContact CD2-CG2 4.49Å; L104-V283 HydrophobicContact CG-CG2 4.27Å
105W91.1Very high84.4Confident14 Ų1474.2 Ų74.25%0.05337%0.365CS..EExtended strand (participates in β ladder)trans-126.5124.9177.3-60.6-84.3000110.2W116 H180 W182 I262 F280 I281W105-W116 HydrophobicContact CB-CZ2 4.12Å; W105-W116 AromaticContact CD1-CZ2 3.97Å; W105-W116 HydrophobicContact CD2-CZ2 4.2Å; W105-W116 AromaticContact CG-CZ2 3.81Å; W105-W116 HydrophobicContact CG-CZ2 3.81Å; W105-H180 AromaticContact CZ2-NE2 3.95Å; W105-W182 HydrophobicContact CH2-CH2 4.34Å; W105-W182 AromaticContact CH2-CZ2 3.84Å; W105-W182 HydrophobicContact CH2-CZ2 3.84Å; W105-W182 HydrophobicContact CZ3-CZ2 4.15Å; W105-I262 HydrophobicContact CE3-CD1 4.34Å; W105-I262 HydrophobicContact CH2-CB 4.34Å; W105-I262 HydrophobicContact CH2-CD1 3.67Å; W105-I262 HydrophobicContact CH2-CG1 3.72Å; W105-I262 HydrophobicContact CZ3-CD1 3.32Å; W105-I262 HydrophobicContact CZ3-CG1 3.92Å; W105-F280 WeakPolarHBondContact O-CA 3.23Å; W105-I281 HydrophobicContact CB-CB 4.26Å; W105-I281 HydrophobicContact CE3-CB 3.74Å; W105-I281 HydrophobicContact CE3-CD1 4.43Å; W105-I281 HydrophobicContact CE3-CG2 3.41Å; W105-I281 VanDerWaalsContact CE3-CG2 3.41Å; W105-I281 HydrophobicContact CZ3-CG2 3.73Å; W105-I281 PolarHBondContact N-O 3.46Å; W105-I281 PolarHBondContact O-N 2.67Å
106E89.9Confident85.2Confident79 Ų7969.6 Ų69.637%0.36934%0.343SS..EExtended strand (participates in β ladder)trans-119.7131.5172.5-64.2-171.4179.200109.3V103 R108 S112V103-E106 HydrophobicContact CB-CG 4.33Å; V103-E106 HydrophobicContact CG1-CG 3.39Å; E106-R108 HydrophobicContact CB-CG 4.3Å; E106-R108 PolarHBondContact O-N 2.81Å; E106-R108 VanDerWaalsContact O-N 3.12Å; E106-R108 IonicContact OE1-NH2 2.71Å; E106-R108 IonicContact OE2-CZ 2.83Å; E106-R108 IonicContact OE2-NE 2.89Å; E106-R108 PolarHBondContact OE2-NE 2.78Å; E106-R108 IonicContact OE2-NH2 3.76Å; E106-R108 PolarHBondContact OE2-NH2 2.79Å; E106-S112 WeakPolarHBondContact O-CB 3.47Å; E106-S112 PolarHBondContact O-OG 2.9Å
107F87.5Confident86.1Confident2 Ų271.1 Ų71.11%0.00936%0.355CS..  trans-92.149.4-175.4-64.5-76.3000112.4G109 L113 W116 N138 E139 C141 I278 D279 I281F107-G109 PolarHBondContact O-N 2.92Å; F107-G109 VanDerWaalsContact O-N 3.13Å; F107-L113 HydrophobicContact CD1-CD2 4.41Å; F107-W116 AromaticContact CE1-CD1 3.71Å; F107-W116 HydrophobicContact CE1-CD2 4.35Å; F107-W116 AromaticContact CE1-CE2 3.6Å; F107-W116 HydrophobicContact CE1-CG 4.42Å; F107-W116 HydrophobicContact CE1-CZ2 4.05Å; F107-W116 AromaticContact CE1-NE1 3.18Å; F107-W116 HydrophobicContact CZ-CD2 4.47Å; F107-W116 AromaticContact CZ-CE2 3.6Å; F107-W116 HydrophobicContact CZ-CH2 4.41Å; F107-W116 AromaticContact CZ-CZ2 3.56Å; F107-W116 HydrophobicContact CZ-CZ2 3.56Å; F107-W116 AromaticContact CZ-NE1 3.67Å; F107-N138 VanDerWaalsContact O-O 3.08Å; F107-E139 CarbonylContact C-O 3.35Å; F107-E139 CarbonylContact O-C 3.53Å; F107-E139 VanDerWaalsContact O-C 3.25Å; F107-E139 VanDerWaalsContact O-O 3.13Å; F107-C141 HydrophobicContact CB-CB 3.92Å; F107-C141 HydrophobicContact CD1-CB 3.35Å; F107-C141 HydrophobicContact CD2-CB 3.7Å; F107-C141 HydrophobicContact CE1-CB 3.55Å; F107-C141 HydrophobicContact CE2-CB 3.97Å; F107-C141 HydrophobicContact CG-CB 3.38Å; F107-C141 HydrophobicContact CZ-CB 3.88Å; F107-I278 HydrophobicContact CD2-CB 4.46Å; F107-I278 HydrophobicContact CD2-CG2 4.27Å; F107-I278 WeakPolarHBondContact CD2-O 3.4Å; F107-I278 HydrophobicContact CE2-CB 3.96Å; F107-I278 HydrophobicContact CE2-CG2 3.61Å; F107-I278 HydrophobicContact CZ-CG2 4.48Å; F107-D279 WeakPolarHBondContact CD2-O 3.37Å; F107-I281 HydrophobicContact CE2-CD1 4.27Å; F107-I281 HydrophobicContact CE2-CG1 4.41Å; F107-I281 HydrophobicContact CZ-CD1 4.3Å
108R85.6Confident87.2Confident177 Ų17767.8 Ų67.867%0.66834%0.339SS*.  trans-8388.1177.2-57.8-167.2-159.1-154.45.4111E106E106-R108 HydrophobicContact CB-CG 4.3Å; E106-R108 PolarHBondContact O-N 2.81Å; E106-R108 VanDerWaalsContact O-N 3.12Å; E106-R108 IonicContact OE1-NH2 2.71Å; E106-R108 IonicContact OE2-CZ 2.83Å; E106-R108 IonicContact OE2-NE 2.89Å; E106-R108 PolarHBondContact OE2-NE 2.78Å; E106-R108 IonicContact OE2-NH2 3.76Å; E106-R108 PolarHBondContact OE2-NH2 2.79Å
109G84.6Confident88Confident12 Ų1262.8 Ų62.812%0.12432%0.315CS..SBendtrans87.9-177.3172.800000115.9F107 H111 S112 N138F107-G109 PolarHBondContact O-N 2.92Å; F107-G109 VanDerWaalsContact O-N 3.13Å; G109-H111 VanDerWaalsContact C-N 3.31Å; G109-H111 PolarHBondContact O-N 2.84Å; G109-S112 PolarHBondContact O-N 3.45Å; G109-N138 PolarHBondContact N-O 3.45Å; G109-N138 VanDerWaalsContact N-O 3.08Å
110P84.6Confident88.7Confident85 Ų8561.7 Ų61.755%0.55231%0.312SS*.Hα-helixtrans-75-18.3-168.129.5-35.9000113.9L113P110-L113 PolarHBondContact O-N 2.79Å
111H86.6Confident89.1Confident142 Ų14256.9 Ų56.966%0.65729%0.289SS*.Hα-helixtrans-67.7-39.6177.8-69.1-66.9000111.7G109 L113 Q114G109-H111 VanDerWaalsContact C-N 3.31Å; G109-H111 PolarHBondContact O-N 2.84Å; H111-L113 PolarHBondContact O-N 2.77Å; H111-Q114 WeakPolarHBondContact O-CB 3.27Å; H111-Q114 PolarHBondContact O-N 2.79Å
112S85.9Confident89.1Confident19 Ų1958.3 Ų58.313%0.13329%0.288CS..Hα-helixtrans-59.5-33.2177-55.60000112E106 G109 Q114 E115 W116E106-S112 WeakPolarHBondContact O-CB 3.47Å; E106-S112 PolarHBondContact O-OG 2.9Å; G109-S112 PolarHBondContact O-N 3.45Å; S112-Q114 PolarHBondContact O-N 3.16Å; S112-E115 WeakPolarHBondContact O-CB 3.34Å; S112-E115 PolarHBondContact O-N 2.72Å; S112-E115 VanDerWaalsContact O-N 3.13Å; S112-W116 VanDerWaalsContact O-CD1 3.26Å
113L86.8Confident88.9Confident30 Ų3061.4 Ų61.416%0.15730%0.302CS..Hα-helixtrans-64.2-25.3177.3-60-171000113.1F107 P110 H111 E115 W116 L132 V134 C141F107-L113 HydrophobicContact CD1-CD2 4.41Å; P110-L113 PolarHBondContact O-N 2.79Å; H111-L113 PolarHBondContact O-N 2.77Å; L113-E115 PolarHBondContact O-N 2.79Å; L113-W116 PolarHBondContact O-N 3.24Å; L113-W116 VanDerWaalsContact O-N 3.11Å; L113-L132 HydrophobicContact CB-CD2 4.1Å; L113-L132 HydrophobicContact CD1-CG 4.44Å; L113-L132 HydrophobicContact CD2-CD2 3.9Å; L113-L132 HydrophobicContact CD2-CG 3.99Å; L113-L132 HydrophobicContact CG-CD2 4.4Å; L113-V134 HydrophobicContact CD1-CG2 3.41Å; L113-V134 VanDerWaalsContact CD1-CG2 3.41Å; L113-V134 HydrophobicContact CD2-CG2 4.45Å; L113-V134 HydrophobicContact CG-CG2 3.9Å; L113-C141 HydrophobicContact CD2-CB 4.38Å
114Q89.1Confident88.5Confident129 Ų12960.2 Ų60.260%0.60329%0.293SS*.THydrogen-bonded Turntrans-69.9-18.4178.5-58.6-176.74.500112.4H111 S112 W116 K168H111-Q114 WeakPolarHBondContact O-CB 3.27Å; H111-Q114 PolarHBondContact O-N 2.79Å; S112-Q114 PolarHBondContact O-N 3.16Å; Q114-W116 PolarHBondContact O-N 2.99Å; Q114-K168 WeakPolarHBondContact O-CD 3.4Å; Q114-K168 VanDerWaalsContact O-CE 3.25Å; Q114-K168 WeakPolarHBondContact O-CE 3.46Å; Q114-K168 PolarHBondContact O-NZ 2.66Å
115E89.4Confident88.2Confident96 Ų9659.8 Ų59.845%0.44930%0.298SS..THydrogen-bonded Turntrans-75.9-9.6174.1-58.3-175.5167.600112.1S112 L113 S167 K168S112-E115 WeakPolarHBondContact O-CB 3.34Å; S112-E115 PolarHBondContact O-N 2.72Å; S112-E115 VanDerWaalsContact O-N 3.13Å; L113-E115 PolarHBondContact O-N 2.79Å; E115-S167 CarbonylContact O-C 3.57Å; E115-K168 VanDerWaalsContact O-CB 3.29Å; E115-K168 WeakPolarHBondContact O-CB 3.27Å; E115-K168 VanDerWaalsContact O-CG 3.31Å; E115-K168 WeakPolarHBondContact O-CG 3.36Å; E115-K168 PolarHBondContact O-N 3.05Å
116W92.4Very high88Confident10 Ų1059.5 Ų59.54%0.03830%0.299CS..EExtended strand (participates in β ladder)trans-108.7144.5-178.2-61.480.5000110.7W105 F107 S112 L113 Q114 L132 M165 R166 S167 F264 I281W105-W116 HydrophobicContact CB-CZ2 4.12Å; W105-W116 AromaticContact CD1-CZ2 3.97Å; W105-W116 HydrophobicContact CD2-CZ2 4.2Å; W105-W116 AromaticContact CG-CZ2 3.81Å; W105-W116 HydrophobicContact CG-CZ2 3.81Å; F107-W116 AromaticContact CE1-CD1 3.71Å; F107-W116 HydrophobicContact CE1-CD2 4.35Å; F107-W116 AromaticContact CE1-CE2 3.6Å; F107-W116 HydrophobicContact CE1-CG 4.42Å; F107-W116 HydrophobicContact CE1-CZ2 4.05Å; F107-W116 AromaticContact CE1-NE1 3.18Å; F107-W116 HydrophobicContact CZ-CD2 4.47Å; F107-W116 AromaticContact CZ-CE2 3.6Å; F107-W116 HydrophobicContact CZ-CH2 4.41Å; F107-W116 AromaticContact CZ-CZ2 3.56Å; F107-W116 HydrophobicContact CZ-CZ2 3.56Å; F107-W116 AromaticContact CZ-NE1 3.67Å; S112-W116 VanDerWaalsContact O-CD1 3.26Å; L113-W116 PolarHBondContact O-N 3.24Å; L113-W116 VanDerWaalsContact O-N 3.11Å; Q114-W116 PolarHBondContact O-N 2.99Å; W116-L132 HydrophobicContact CB-CD2 4.18Å; W116-M165 HydrophobicContact CB-CG 4.37Å; W116-M165 HydrophobicContact CD2-CE 4.29Å; W116-M165 HydrophobicContact CD2-CG 4.46Å; W116-M165 HydrophobicContact CD2-SD 4.4Å; W116-M165 HydrophobicContact CE3-CE 3.71Å; W116-M165 HydrophobicContact CE3-CG 3.8Å; W116-M165 HydrophobicContact CE3-SD 4.09Å; W116-M165 HydrophobicContact CH2-CE 4.42Å; W116-M165 HydrophobicContact CZ3-CE 3.78Å; W116-R166 CarbonylContact C-O 3.25Å; W116-R166 WeakPolarHBondContact CA-O 3.13Å; W116-R166 VanDerWaalsContact CE3-C 3.44Å; W116-S167 VanDerWaalsContact CE3-N 3.26Å; W116-F264 HydrophobicContact CH2-CE2 4.32Å; W116-F264 HydrophobicContact CZ3-CD2 4.44Å; W116-F264 HydrophobicContact CZ3-CE2 4.35Å; W116-I281 HydrophobicContact CH2-CD1 3.42Å; W116-I281 VanDerWaalsContact CH2-CD1 3.42Å; W116-I281 HydrophobicContact CZ2-CD1 3.72Å
117T93Very high88Confident63 Ų6362 Ų6239%0.38731%0.309SS..EExtended strand (participates in β ladder)trans-117.5136172-54.90000107.6R166 K168T117-R166 PolarHBondContact N-O 2.86Å; T117-R166 PolarHBondContact O-N 2.81Å; T117-K168 WeakPolarHBondContact OG1-CE 3.42Å; T117-K168 VanDerWaalsContact OG1-CG 3.32Å; T117-K168 WeakPolarHBondContact OG1-CG 3.48Å
118I93.8Very high88.3Confident57 Ų5762 Ų6229%0.29231%0.309SS..EExtended strand (participates in β ladder)trans-110.6134.2179.2-42.9160000107.2I130 L132 T164I118-I130 HydrophobicContact CG2-CB 4.01Å; I118-I130 HydrophobicContact CG2-CD1 3.48Å; I118-I130 VanDerWaalsContact CG2-CD1 3.48Å; I118-I130 HydrophobicContact CG2-CG1 3.55Å; I118-I130 HydrophobicContact CG2-CG2 3.3Å; I118-L132 HydrophobicContact CD1-CB 3.34Å; I118-L132 HydrophobicContact CD1-CD2 4.17Å; I118-L132 HydrophobicContact CD1-CG 4.32Å; I118-L132 HydrophobicContact CG1-CB 4.17Å; I118-L132 HydrophobicContact CG1-CD2 4.29Å; I118-T164 CarbonylContact C-O 3.48Å; I118-T164 WeakPolarHBondContact CA-O 3.14Å; I118-T164 WeakPolarHBondContact CG2-O 3.25Å
119S92.9Very high88.6Confident30 Ų3056.6 Ų56.621%0.2129%0.291CS..EExtended strand (participates in β ladder)trans-130.5147.5173-740000109.4E123 T164S119-E123 VanDerWaalsContact CB-OE1 3.28Å; S119-E123 WeakPolarHBondContact CB-OE1 3.48Å; S119-E123 PolarHBondContact OG-OE1 2.85Å; S119-T164 PolarHBondContact N-O 3.09Å; S119-T164 WeakPolarHBondContact O-CG2 3.25Å; S119-T164 PolarHBondContact O-N 3Å; S119-T164 VanDerWaalsContact O-O 3.06Å
120C91.3Very high89.1Confident19 Ų1957 Ų5713%0.12829%0.29CS..EExtended strand (participates in β ladder)trans-145.9166.2177.755.50000110.3R122 E123 I130 Y162C120-R122 PolarHBondContact O-N 3.29Å; C120-E123 WeakPolarHBondContact O-CB 2.99Å; C120-E123 PolarHBondContact O-N 3.17Å; C120-I130 HydrophobicContact CB-CB 4.46Å; C120-I130 HydrophobicContact CB-CG2 3.58Å; C120-Y162 WeakPolarHBondContact CA-O 3.38Å; C120-Y162 PolarHBondContact O-OH 3.27Å
121D89.1Confident89.6Confident0 Ų057.5 Ų57.50%028%0.282CS..G310 helixtrans-55-18.3176.6-175.334000114.9E123 I124 G125 G126 S160 G161 Y162D121-E123 PolarHBondContact O-N 2.9Å; D121-I124 PolarHBondContact O-N 2.73Å; D121-G125 PolarHBondContact O-N 2.87Å; D121-G126 PolarHBondContact O-N 2.95Å; D121-G126 WeakPolarHBondContact OD2-CA 3.45Å; D121-S160 WeakPolarHBondContact OD2-CB 3.18Å; D121-G161 VanDerWaalsContact CG-N 3.34Å; D121-G161 PolarHBondContact OD2-N 2.7Å; D121-Y162 HydrophobicContact CB-CD1 3.86Å; D121-Y162 HydrophobicContact CB-CE1 3.97Å; D121-Y162 PolarHBondContact N-O 3.05Å
122R87.3Confident89.9Confident127 Ų12752.3 Ų52.348%0.47926%0.259SS..G310 helixtrans-53.7-27.5169.1-178.9173.6-89174.10.4112.4R45 C120 I124 G125 E129R45-R122 PolarHBondContact NH2-O 3.08Å; C120-R122 PolarHBondContact O-N 3.29Å; R122-I124 VanDerWaalsContact C-N 3.3Å; R122-I124 PolarHBondContact O-N 2.81Å; R122-G125 PolarHBondContact O-N 3.02Å; R122-E129 IonicContact CZ-OE1 3.13Å; R122-E129 IonicContact NH1-OE1 3.23Å; R122-E129 IonicContact NH2-OE1 2.67Å; R122-E129 PolarHBondContact NH2-OE1 3.31Å
123E84.9Confident90.1Very high97 Ų9756.7 Ų56.745%0.45328%0.276SS..G310 helixtrans-64.3-32.3174.8-70.2-178.6-155.800113.1R45 S119 C120 D121R45-E123 PolarHBondContact NE-O 3.15Å; R45-E123 VanDerWaalsContact NH2-C 3.27Å; R45-E123 PolarHBondContact NH2-O 2.81Å; S119-E123 VanDerWaalsContact CB-OE1 3.28Å; S119-E123 WeakPolarHBondContact CB-OE1 3.48Å; S119-E123 PolarHBondContact OG-OE1 2.85Å; C120-E123 WeakPolarHBondContact O-CB 2.99Å; C120-E123 PolarHBondContact O-N 3.17Å; D121-E123 PolarHBondContact O-N 2.9Å
124I83Confident90.3Very high39 Ų3957 Ų5720%0.228%0.279CS..THydrogen-bonded Turntrans-90.9-22179.7-56.6-177.4000111.1Y43 D121 R122 T157 Y162Y43-I124 HydrophobicContact CE1-CG1 4.42Å; Y43-I124 HydrophobicContact CE1-CG2 4.35Å; D121-I124 PolarHBondContact O-N 2.73Å; R122-I124 VanDerWaalsContact C-N 3.3Å; R122-I124 PolarHBondContact O-N 2.81Å; I124-T157 HydrophobicContact CG2-CG2 3.68Å; I124-Y162 HydrophobicContact CD1-CE1 3.74Å; I124-Y162 HydrophobicContact CG1-CE1 4.38Å
125G82.9Confident90Very high29 Ų2951.1 Ų51.130%0.29925%0.253SS..THydrogen-bonded Turntrans121.52.4-179.200000113.7D121 R122D121-G125 PolarHBondContact O-N 2.87Å; R122-G125 PolarHBondContact O-N 3.02Å
126G86.9Confident89.4Confident8 Ų858.5 Ų58.58%0.08228%0.277CS..  trans-75.7179176.400000114.2D121D121-G126 PolarHBondContact O-N 2.95Å; D121-G126 WeakPolarHBondContact OD2-CA 3.45Å
127K90.4Very high88.6Confident132 Ų13263.6 Ų63.657%0.57431%0.305SS*.  trans-102.60.9-170.8-58.8174.8-168.2161.40114C148 D150K127-C148 HydrophobicContact CB-CB 4.06Å; K127-D150 IonicContact NZ-OD2 2.83Å; K127-D150 PolarHBondContact NZ-OD2 3.25Å; K127-D150 VanDerWaalsContact NZ-OD2 3.15Å
128S92.8Very high87.9Confident0 Ų065.7 Ų65.70%031%0.313CS..  trans-67.5141.1-179-620000111.4T146 C148S128-T146 WeakPolarHBondContact CA-O 3.42Å; S128-C148 PolarHBondContact OG-N 2.88Å; S128-C148 PolarHBondContact OG-O 3.13Å
129E93.8Very high87.3Confident65 Ų6568.4 Ų68.430%0.30433%0.325SS..EExtended strand (participates in β ladder)trans-125.2142.2179-61.4-168.1145.900110.3R122 Y131 G145 T146R122-E129 IonicContact CZ-OE1 3.13Å; R122-E129 IonicContact NH1-OE1 3.23Å; R122-E129 IonicContact NH2-OE1 2.67Å; R122-E129 PolarHBondContact NH2-OE1 3.31Å; E129-Y131 HydrophobicContact CB-CE2 4.04Å; E129-Y131 PolarHBondContact OE2-OH 3.23Å; E129-G145 CarbonylContact O-C 3.54Å; E129-G145 WeakPolarHBondContact O-CA 3.43Å; E129-T146 PolarHBondContact N-O 3.47Å; E129-T146 PolarHBondContact O-N 3.47Å
130I94.8Very high87.1Confident20 Ų2067.4 Ų67.410%0.10332%0.318CS..EExtended strand (participates in β ladder)trans-144.7138.3-177-170.4166000110.1I118 C120 L143 C163 F274I118-I130 HydrophobicContact CG2-CB 4.01Å; I118-I130 HydrophobicContact CG2-CD1 3.48Å; I118-I130 VanDerWaalsContact CG2-CD1 3.48Å; I118-I130 HydrophobicContact CG2-CG1 3.55Å; I118-I130 HydrophobicContact CG2-CG2 3.3Å; C120-I130 HydrophobicContact CB-CB 4.46Å; C120-I130 HydrophobicContact CB-CG2 3.58Å; I130-L143 HydrophobicContact CD1-CD1 3.7Å; I130-L143 HydrophobicContact CD1-CD2 4.37Å; I130-L143 HydrophobicContact CD1-CG 4.28Å; I130-L143 HydrophobicContact CG1-CD1 3.69Å; I130-L143 HydrophobicContact CG1-CG 4.42Å; I130-C163 HydrophobicContact CB-CB 4.5Å; I130-C163 HydrophobicContact CD1-CB 3.63Å; I130-C163 HydrophobicContact CG1-CB 4.49Å; I130-F274 HydrophobicContact CB-CZ 4.28Å; I130-F274 HydrophobicContact CD1-CE2 4.36Å; I130-F274 HydrophobicContact CD1-CZ 4.12Å; I130-F274 HydrophobicContact CG1-CE2 4.3Å; I130-F274 HydrophobicContact CG1-CZ 3.98Å
131Y94.4Very high87.2Confident96 Ų9666.5 Ų66.538%0.37631%0.311SS..EExtended strand (participates in β ladder)trans-137.6146.5-176.6-58.8-75.9000110.2E129 Y144E129-Y131 HydrophobicContact CB-CE2 4.04Å; E129-Y131 PolarHBondContact OE2-OH 3.23Å; Y131-Y144 VanDerWaalsContact CB-CZ 3.4Å; Y131-Y144 WeakPolarHBondContact CB-OH 3.4Å; Y131-Y144 HydrophobicContact CD2-CD2 4.43Å; Y131-Y144 AromaticContact CD2-CE2 3.87Å; Y131-Y144 HydrophobicContact CD2-CE2 3.87Å; Y131-Y144 HydrophobicContact CG-CE2 4.16Å; Y131-Y144 PolarHBondContact N-O 2.84Å; Y131-Y144 PolarHBondContact O-N 2.87Å; Y131-Y144 VanDerWaalsContact O-O 3.13Å
132L92.4Very high87.3Confident33 Ų3367.9 Ų67.917%0.17332%0.319CS..EExtended strand (participates in β ladder)trans-120.4124.7177.4-166.772.2000108.7L113 W116 I118 C141 L143 M165L113-L132 HydrophobicContact CB-CD2 4.1Å; L113-L132 HydrophobicContact CD1-CG 4.44Å; L113-L132 HydrophobicContact CD2-CD2 3.9Å; L113-L132 HydrophobicContact CD2-CG 3.99Å; L113-L132 HydrophobicContact CG-CD2 4.4Å; W116-L132 HydrophobicContact CB-CD2 4.18Å; I118-L132 HydrophobicContact CD1-CB 3.34Å; I118-L132 HydrophobicContact CD1-CD2 4.17Å; I118-L132 HydrophobicContact CD1-CG 4.32Å; I118-L132 HydrophobicContact CG1-CB 4.17Å; I118-L132 HydrophobicContact CG1-CD2 4.29Å; L132-C141 WeakPolarHBondContact CD1-SG 3.17Å; L132-L143 HydrophobicContact CD1-CB 4.42Å; L132-L143 HydrophobicContact CD1-CD1 3.93Å; L132-M165 HydrophobicContact CD1-SD 3.55Å; L132-M165 VanDerWaalsContact CD1-SD 3.55Å
133K91.5Very high87.6Confident111 Ų11161.9 Ų61.948%0.48330%0.296SS..EExtended strand (participates in β ladder)trans-130.4156.4175.6-80.9-178.5178.7163.60109.8L142 Y144K133-L142 HydrophobicContact CB-CB 4.5Å; K133-L142 PolarHBondContact N-O 2.95Å; K133-L142 WeakPolarHBondContact O-CA 3.25Å; K133-L142 PolarHBondContact O-N 3.27Å; K133-Y144 HydrophobicContact CB-CE1 4.01Å; K133-Y144 HydrophobicContact CD-CE1 3.53Å; K133-Y144 WeakPolarHBondContact CD-OH 3.46Å; K133-Y144 WeakPolarHBondContact CE-OH 3.49Å; K133-Y144 HydrophobicContact CG-CE1 3.71Å; K133-Y144 PolarHBondContact NZ-OH 3.4Å
134V89.6Confident88.1Confident36 Ų3660.1 Ų60.122%0.21829%0.286CS..EExtended strand (participates in β ladder)trans-76.9139.6164.9-166.80000107.8L113 N138L113-V134 HydrophobicContact CD1-CG2 3.41Å; L113-V134 VanDerWaalsContact CD1-CG2 3.41Å; L113-V134 HydrophobicContact CD2-CG2 4.45Å; L113-V134 HydrophobicContact CG-CG2 3.9Å; V134-N138 HydrophobicContact CG1-CB 4.34Å
135G83.2Confident88.6Confident6 Ų658.6 Ų58.66%0.06228%0.28CS..  trans-66.4170.9177.800000113.2N137 N138 S140G135-N137 PolarHBondContact O-N 3.25Å; G135-N138 PolarHBondContact O-N 2.87Å; G135-S140 PolarHBondContact N-O 2.97Å
136R76.6Confident89.2Confident251 Ų25160.5 Ų60.595%0.94729%0.286SS*.THydrogen-bonded Turntrans-59.1-21.3-170.9-68.4-179.2-179.4176.20.3114.7
137N76.1Confident89.5Confident117 Ų11760.1 Ų60.163%0.62628%0.282SS*.THydrogen-bonded Turntrans-106.56.6-178.6-64.10.1000113.9G135 E139G135-N137 PolarHBondContact O-N 3.25Å; N137-E139 HydrophobicContact CB-CB 4.48Å; N137-E139 HydrophobicContact CB-CG 4.41Å; N137-E139 PolarHBondContact O-N 3.25Å; N137-E139 VanDerWaalsContact O-N 3.14Å
138N77.3Confident89.6Confident106 Ų10654.8 Ų54.857%0.56726%0.261SS*.SBendtrans6110.9-171.7-62.7-35.4000116.2F107 G109 V134 G135F107-N138 VanDerWaalsContact O-O 3.08Å; G109-N138 PolarHBondContact N-O 3.45Å; G109-N138 VanDerWaalsContact N-O 3.08Å; V134-N138 HydrophobicContact CG1-CB 4.34Å; G135-N138 PolarHBondContact O-N 2.87Å
139E82.9Confident89.5Confident114 Ų11456 Ų5653%0.53327%0.269SS..SBendtrans-103.3-24.5-176.2-70.3166.7164.200112.6F107 N137F107-E139 CarbonylContact C-O 3.35Å; F107-E139 CarbonylContact O-C 3.53Å; F107-E139 VanDerWaalsContact O-C 3.25Å; F107-E139 VanDerWaalsContact O-O 3.13Å; N137-E139 HydrophobicContact CB-CB 4.48Å; N137-E139 HydrophobicContact CB-CG 4.41Å; N137-E139 PolarHBondContact O-N 3.25Å; N137-E139 VanDerWaalsContact O-N 3.14Å
140S88.8Confident89.3Confident9 Ų956.5 Ų56.56%0.06327%0.274CS..SBendtrans-117158.8-175.266.70000113G135 I278G135-S140 PolarHBondContact N-O 2.97Å; S140-I278 CarbonylContact C-O 3.56Å; S140-I278 WeakPolarHBondContact CA-O 3.49Å; S140-I278 WeakPolarHBondContact CB-O 3.46Å
141C91.6Very high88.9Confident0 Ų058.8 Ų58.80%029%0.29CS..EExtended strand (participates in β ladder)trans-100.1122.5171.1-178.30000109.8F107 L113 L132 E277 I278F107-C141 HydrophobicContact CB-CB 3.92Å; F107-C141 HydrophobicContact CD1-CB 3.35Å; F107-C141 HydrophobicContact CD2-CB 3.7Å; F107-C141 HydrophobicContact CE1-CB 3.55Å; F107-C141 HydrophobicContact CE2-CB 3.97Å; F107-C141 HydrophobicContact CG-CB 3.38Å; F107-C141 HydrophobicContact CZ-CB 3.88Å; L113-C141 HydrophobicContact CD2-CB 4.38Å; L132-C141 WeakPolarHBondContact CD1-SG 3.17Å; C141-E277 CarbonylContact O-C 3.59Å; C141-E277 VanDerWaalsContact O-CA 3.25Å; C141-E277 WeakPolarHBondContact O-CA 3.28Å; C141-I278 PolarHBondContact N-O 3.09Å; C141-I278 PolarHBondContact O-N 3.07Å
142L92.6Very high88.5Confident30 Ų3055.3 Ų55.316%0.15728%0.279CS..EExtended strand (participates in β ladder)trans-104.6107.6178173.664.8000109.3K133 Y144 Q275 E277K133-L142 HydrophobicContact CB-CB 4.5Å; K133-L142 PolarHBondContact N-O 2.95Å; K133-L142 WeakPolarHBondContact O-CA 3.25Å; K133-L142 PolarHBondContact O-N 3.27Å; L142-Y144 HydrophobicContact CD2-CD1 4.21Å; L142-Y144 HydrophobicContact CG-CD1 3.94Å; L142-Q275 HydrophobicContact CD1-CG 3.52Å; L142-Q275 VanDerWaalsContact CD1-NE2 3.27Å; L142-E277 HydrophobicContact CB-CG 4.16Å; L142-E277 HydrophobicContact CD1-CG 3.31Å; L142-E277 HydrophobicContact CG-CG 4.31Å
143L93.4Very high88.1Confident0 Ų063.9 Ų63.90%032%0.315CS..EExtended strand (participates in β ladder)trans-95.3121.2170-174.270.1000108.5I130 L132 M165 W199 F274 Q275 L276I130-L143 HydrophobicContact CD1-CD1 3.7Å; I130-L143 HydrophobicContact CD1-CD2 4.37Å; I130-L143 HydrophobicContact CD1-CG 4.28Å; I130-L143 HydrophobicContact CG1-CD1 3.69Å; I130-L143 HydrophobicContact CG1-CG 4.42Å; L132-L143 HydrophobicContact CD1-CB 4.42Å; L132-L143 HydrophobicContact CD1-CD1 3.93Å; L143-M165 HydrophobicContact CD1-CB 4.2Å; L143-M165 HydrophobicContact CD1-SD 4.2Å; L143-M165 HydrophobicContact CD2-CB 3.95Å; L143-M165 HydrophobicContact CD2-SD 4.38Å; L143-W199 HydrophobicContact CD2-CH2 3.48Å; L143-W199 VanDerWaalsContact CD2-CH2 3.48Å; L143-W199 HydrophobicContact CD2-CZ3 3.66Å; L143-W199 HydrophobicContact CG-CH2 4.36Å; L143-F274 HydrophobicContact CG-CE2 4.36Å; L143-Q275 CarbonylContact O-C 3.59Å; L143-Q275 WeakPolarHBondContact O-CA 3.37Å; L143-L276 WeakPolarHBondContact CA-O 3.44Å; L143-L276 HydrophobicContact CB-CB 4.4Å; L143-L276 WeakPolarHBondContact CB-O 3.45Å; L143-L276 PolarHBondContact N-O 3.17Å; L143-L276 PolarHBondContact O-N 2.92Å
144Y94.1Very high87.5Confident60 Ų6062.4 Ų62.424%0.23531%0.313CS..EExtended strand (participates in β ladder)trans-146.3157.1179.370.7-78000110.6Y131 K133 L142 F274Y131-Y144 VanDerWaalsContact CB-CZ 3.4Å; Y131-Y144 WeakPolarHBondContact CB-OH 3.4Å; Y131-Y144 HydrophobicContact CD2-CD2 4.43Å; Y131-Y144 AromaticContact CD2-CE2 3.87Å; Y131-Y144 HydrophobicContact CD2-CE2 3.87Å; Y131-Y144 HydrophobicContact CG-CE2 4.16Å; Y131-Y144 PolarHBondContact N-O 2.84Å; Y131-Y144 PolarHBondContact O-N 2.87Å; Y131-Y144 VanDerWaalsContact O-O 3.13Å; K133-Y144 HydrophobicContact CB-CE1 4.01Å; K133-Y144 HydrophobicContact CD-CE1 3.53Å; K133-Y144 WeakPolarHBondContact CD-OH 3.46Å; K133-Y144 WeakPolarHBondContact CE-OH 3.49Å; K133-Y144 HydrophobicContact CG-CE1 3.71Å; K133-Y144 PolarHBondContact NZ-OH 3.4Å; L142-Y144 HydrophobicContact CD2-CD1 4.21Å; L142-Y144 HydrophobicContact CG-CD1 3.94Å; Y144-F274 VanDerWaalsContact CA-O 3.28Å; Y144-F274 WeakPolarHBondContact CA-O 3.38Å
145G94.3Very high86.9Confident7 Ų764.6 Ų64.67%0.07234%0.342CS..EExtended strand (participates in β ladder)trans172.9-168.2-176.900000112.1E129 P273 F274E129-G145 CarbonylContact O-C 3.54Å; E129-G145 WeakPolarHBondContact O-CA 3.43Å; G145-P273 CarbonylContact O-C 3.52Å; G145-P273 VanDerWaalsContact O-CA 3.26Å; G145-P273 WeakPolarHBondContact O-CA 3.36Å; G145-F274 PolarHBondContact N-O 3.49Å; G145-F274 VanDerWaalsContact N-O 3.15Å; G145-F274 PolarHBondContact O-N 3.39Å
146T94.8Very high86.8Confident69 Ų6970.7 Ų70.742%0.42337%0.369SS..EExtended strand (participates in β ladder)trans-126.5122.6177.3-53.60000108.2S128 E129S128-T146 WeakPolarHBondContact CA-O 3.42Å; E129-T146 PolarHBondContact N-O 3.47Å; E129-T146 PolarHBondContact O-N 3.47Å
147L94.1Very high87.1Confident1 Ų159.7 Ų59.71%0.00533%0.33CS..EExtended strand (participates in β ladder)trans-88.3134.7173.7-164.471000109.2C163 L266 D268 D271 G272 F274L147-C163 HydrophobicContact CD1-CB 4.2Å; L147-L266 HydrophobicContact CD2-CD2 4.21Å; L147-L266 HydrophobicContact CD2-CG 4.18Å; L147-D268 VanDerWaalsContact CD2-OD1 3.26Å; L147-D268 WeakPolarHBondContact CD2-OD1 3.47Å; L147-D271 WeakPolarHBondContact O-CA 3.26Å; L147-G272 PolarHBondContact N-O 3.3Å; L147-G272 PolarHBondContact O-N 2.66Å; L147-F274 HydrophobicContact CB-CD1 4.09Å; L147-F274 HydrophobicContact CB-CE1 4.27Å
148C92.5Very high87.4Confident20 Ų2064 Ų6414%0.13534%0.338CS..  trans-138.6121172.9-178.90000109.1K127 S128 G161 D271K127-C148 HydrophobicContact CB-CB 4.06Å; S128-C148 PolarHBondContact OG-N 2.88Å; S128-C148 PolarHBondContact OG-O 3.13Å; C148-G161 WeakPolarHBondContact O-CA 3.47Å; C148-G161 PolarHBondContact O-N 3.34Å; C148-D271 WeakPolarHBondContact CA-OD1 3.49Å
149S90.1Very high87.8Confident25 Ų2567.5 Ų67.518%0.17534%0.344CS..  trans-95.95.2-173.4-44.20000112.8P151 S160 K269 D271S149-P151 WeakPolarHBondContact O-CD 3.17Å; S149-S160 PolarHBondContact O-OG 3.04Å; S149-K269 WeakPolarHBondContact OG-CA 3.19Å; S149-D271 VanDerWaalsContact CB-OD1 3.26Å; S149-D271 WeakPolarHBondContact CB-OD1 3.1Å; S149-D271 PolarHBondContact N-OD1 2.89Å; S149-D271 PolarHBondContact OG-OD1 3.01Å
150D89.9Confident87.9Confident76 Ų7662.8 Ų62.841%0.40632%0.324SS..PPolyproline II helixtrans-65.4118.8172.8-78.1-18.7000110K127 S160K127-D150 IonicContact NZ-OD2 2.83Å; K127-D150 PolarHBondContact NZ-OD2 3.25Å; K127-D150 VanDerWaalsContact NZ-OD2 3.15Å; D150-S160 PolarHBondContact O-OG 3.42Å
151P87.3Confident88Confident67 Ų6762.7 Ų62.744%0.43532%0.324SS..PPolyproline II helixtrans-69.8146.517627.6-32.9000111S149 S160S149-P151 WeakPolarHBondContact O-CD 3.17Å; P151-S160 VanDerWaalsContact CA-OG 3.23Å; P151-S160 WeakPolarHBondContact CA-OG 3.49Å; P151-S160 VanDerWaalsContact N-OG 3.1Å
152P86.1Confident88Confident23 Ų2365.8 Ų65.815%0.14934%0.336CS..PPolyproline II helixtrans-64149.1171.526.7-31.9000110.7D154 T157P152-D154 PolarHBondContact O-N 3.42Å; P152-T157 HydrophobicContact CG-CG2 3.98Å
153K83.2Confident88.1Confident213 Ų21364.3 Ų64.393%0.92633%0.328SS*.THydrogen-bonded Turntrans-8043.2-177.9-61.6-175.4179.8-177.80112.6
154D79.8Confident88.1Confident80 Ų8064.9 Ų64.943%0.42833%0.332SS..THydrogen-bonded Turntrans-92.3-10.7-177.5-62.9-26.6000112.6P152 E156P152-D154 PolarHBondContact O-N 3.42Å; D154-E156 PolarHBondContact O-N 2.96Å; D154-E156 VanDerWaalsContact O-N 3.15Å
155G76.9Confident88.1Confident82 Ų8262 Ų6285%0.84532%0.321SS*.SBendtrans77.8-15179.500000115.3
156E80.4Confident88.1Confident135 Ų13567.4 Ų67.463%0.63134%0.339SS*.SBendtrans-99.9-43.5177.5-64.3-172.4-171.400113.1P46 D154 R158P46-E156 HydrophobicContact CB-CG 4.42Å; P46-E156 WeakPolarHBondContact CB-OE2 3.47Å; P46-E156 HydrophobicContact CG-CB 4.14Å; P46-E156 HydrophobicContact CG-CG 4.31Å; P46-E156 WeakPolarHBondContact CG-OE2 3.26Å; D154-E156 PolarHBondContact O-N 2.96Å; D154-E156 VanDerWaalsContact O-N 3.15Å; E156-R158 PolarHBondContact O-N 3.2Å
157T82.1Confident88.1Confident20 Ų2064.3 Ų64.312%0.12332%0.32CS..  trans-74.5112.7-177.4-560000110.7I124 P152 Y159I124-T157 HydrophobicContact CG2-CG2 3.68Å; P152-T157 HydrophobicContact CG-CG2 3.98Å; T157-Y159 WeakPolarHBondContact CG2-O 3.35Å
158R83.4Confident88Confident207 Ų20769.3 Ų69.378%0.78134%0.341SS*.  trans-90.1-28.5179.7-63.3-175.1-177-175.7-0.2114.1E156E156-R158 PolarHBondContact O-N 3.2Å
159Y84.6Confident87.8Confident180 Ų18070.8 Ų70.871%0.70635%0.346SS*.  trans-131.4137.8-174.4-55.3-64.9000109.7T157T157-Y159 WeakPolarHBondContact CG2-O 3.35Å
160S86.9Confident87.6Confident15 Ų1571.2 Ų71.211%0.10535%0.349CS..  trans-147.7176.6-179780000107.9D121 S149 D150 P151D121-S160 WeakPolarHBondContact OD2-CB 3.18Å; S149-S160 PolarHBondContact O-OG 3.04Å; D150-S160 PolarHBondContact O-OG 3.42Å; P151-S160 VanDerWaalsContact CA-OG 3.23Å; P151-S160 WeakPolarHBondContact CA-OG 3.49Å; P151-S160 VanDerWaalsContact N-OG 3.1Å
161G89.8Confident87.5Confident6 Ų671.7 Ų71.76%0.06235%0.351CS..  trans85.660.9-176.100000113.6D121 C148D121-G161 VanDerWaalsContact CG-N 3.34Å; D121-G161 PolarHBondContact OD2-N 2.7Å; C148-G161 WeakPolarHBondContact O-CA 3.47Å; C148-G161 PolarHBondContact O-N 3.34Å
162Y91.9Very high87.5Confident65 Ų6569.1 Ų69.126%0.25534%0.335SS..  trans-131145.7165.581.2-84.5000111.6C120 D121 I124 T164 L266C120-Y162 WeakPolarHBondContact CA-O 3.38Å; C120-Y162 PolarHBondContact O-OH 3.27Å; D121-Y162 HydrophobicContact CB-CD1 3.86Å; D121-Y162 HydrophobicContact CB-CE1 3.97Å; D121-Y162 PolarHBondContact N-O 3.05Å; I124-Y162 HydrophobicContact CD1-CE1 3.74Å; I124-Y162 HydrophobicContact CG1-CE1 4.38Å; Y162-T164 HydrophobicContact CD2-CG2 4.35Å; Y162-T164 HydrophobicContact CE2-CG2 4.15Å; Y162-L266 WeakPolarHBondContact CA-O 3.31Å
163C93.8Very high87.5Confident0 Ų068 Ų680%033%0.328CS..EExtended strand (participates in β ladder)trans-133.5124.3174.7-80.50000107.7I130 L147 T265 L266 F274I130-C163 HydrophobicContact CB-CB 4.5Å; I130-C163 HydrophobicContact CD1-CB 3.63Å; I130-C163 HydrophobicContact CG1-CB 4.49Å; L147-C163 HydrophobicContact CD1-CB 4.2Å; C163-T265 CarbonylContact O-C 3.56Å; C163-T265 WeakPolarHBondContact O-CA 3.29Å; C163-L266 HydrophobicContact CB-CB 4.48Å; C163-L266 PolarHBondContact N-O 3.23Å; C163-L266 PolarHBondContact O-N 2.9Å; C163-F274 HydrophobicContact CB-CE1 4.01Å; C163-F274 HydrophobicContact CB-CE2 4.48Å; C163-F274 HydrophobicContact CB-CZ 3.64Å
164T93.8Very high87.7Confident12 Ų1264 Ų647%0.07431%0.311CS..EExtended strand (participates in β ladder)trans-132.4140.2-178.1-168.20000111.8I118 S119 Y162 F264 T265I118-T164 CarbonylContact C-O 3.48Å; I118-T164 WeakPolarHBondContact CA-O 3.14Å; I118-T164 WeakPolarHBondContact CG2-O 3.25Å; S119-T164 PolarHBondContact N-O 3.09Å; S119-T164 WeakPolarHBondContact O-CG2 3.25Å; S119-T164 PolarHBondContact O-N 3Å; S119-T164 VanDerWaalsContact O-O 3.06Å; Y162-T164 HydrophobicContact CD2-CG2 4.35Å; Y162-T164 HydrophobicContact CE2-CG2 4.15Å; T164-F264 CarbonylContact C-O 3.58Å; T164-F264 VanDerWaalsContact CA-O 3.29Å; T164-F264 WeakPolarHBondContact CA-O 3.19Å; T164-F264 PolarHBondContact OG1-O 2.8Å; T164-T265 PolarHBondContact OG1-OG1 3.32Å
165M94.7Very high87.9Confident0 Ų065.2 Ų65.20%032%0.318CS..EExtended strand (participates in β ladder)trans-114.5132.7166.6-173.6-175.772.900107.5W116 L132 L143 G263 F264 I278W116-M165 HydrophobicContact CB-CG 4.37Å; W116-M165 HydrophobicContact CD2-CE 4.29Å; W116-M165 HydrophobicContact CD2-CG 4.46Å; W116-M165 HydrophobicContact CD2-SD 4.4Å; W116-M165 HydrophobicContact CE3-CE 3.71Å; W116-M165 HydrophobicContact CE3-CG 3.8Å; W116-M165 HydrophobicContact CE3-SD 4.09Å; W116-M165 HydrophobicContact CH2-CE 4.42Å; W116-M165 HydrophobicContact CZ3-CE 3.78Å; L132-M165 HydrophobicContact CD1-SD 3.55Å; L132-M165 VanDerWaalsContact CD1-SD 3.55Å; L143-M165 HydrophobicContact CD1-CB 4.2Å; L143-M165 HydrophobicContact CD1-SD 4.2Å; L143-M165 HydrophobicContact CD2-CB 3.95Å; L143-M165 HydrophobicContact CD2-SD 4.38Å; M165-G263 CarbonylContact O-C 3.54Å; M165-G263 WeakPolarHBondContact O-CA 3.41Å; M165-F264 HydrophobicContact CE-CD2 3.5Å; M165-F264 VanDerWaalsContact CE-CD2 3.5Å; M165-F264 HydrophobicContact CE-CE2 4.01Å; M165-F264 HydrophobicContact CE-CG 4.41Å; M165-F264 PolarHBondContact N-O 3.46Å; M165-F264 PolarHBondContact O-N 3.18Å; M165-I278 HydrophobicContact CE-CD1 3.48Å; M165-I278 VanDerWaalsContact CE-CD1 3.48Å
166R94.3Very high88.4Confident120 Ų12067.4 Ų67.445%0.45330%0.3SS..EExtended strand (participates in β ladder)trans-137.5137.7-178.9-169.5-172-65.3169.7-0.3110.4W116 T117 I262W116-R166 CarbonylContact C-O 3.25Å; W116-R166 WeakPolarHBondContact CA-O 3.13Å; W116-R166 VanDerWaalsContact CE3-C 3.44Å; T117-R166 PolarHBondContact N-O 2.86Å; T117-R166 PolarHBondContact O-N 2.81Å; R166-I262 CarbonylContact C-O 3.51Å; R166-I262 WeakPolarHBondContact CA-O 2.94Å
167S94.1Very high88.7Confident3 Ų365.3 Ų65.32%0.02129%0.289CS..EExtended strand (participates in β ladder)trans-68.6144.317166.30000110.3E115 W116 S261 I262E115-S167 CarbonylContact O-C 3.57Å; W116-S167 VanDerWaalsContact CE3-N 3.26Å; S167-S261 WeakPolarHBondContact O-CB 3.24Å; S167-S261 WeakPolarHBondContact OG-CA 3.39Å; S167-S261 WeakPolarHBondContact OG-CB 3.48Å; S167-I262 PolarHBondContact N-O 3.23Å; S167-I262 PolarHBondContact OG-N 2.71Å; S167-I262 PolarHBondContact OG-O 2.99Å
168K91.6Very high89Confident106 Ų10669.1 Ų69.146%0.46130%0.304SS..PPolyproline II helixtrans-73.7136.3173.6-70.8175.8-174.8171.70107.9Q114 E115 T117Q114-K168 WeakPolarHBondContact O-CD 3.4Å; Q114-K168 VanDerWaalsContact O-CE 3.25Å; Q114-K168 WeakPolarHBondContact O-CE 3.46Å; Q114-K168 PolarHBondContact O-NZ 2.66Å; E115-K168 VanDerWaalsContact O-CB 3.29Å; E115-K168 WeakPolarHBondContact O-CB 3.27Å; E115-K168 VanDerWaalsContact O-CG 3.31Å; E115-K168 WeakPolarHBondContact O-CG 3.36Å; E115-K168 PolarHBondContact O-N 3.05Å; T117-K168 WeakPolarHBondContact OG1-CE 3.42Å; T117-K168 VanDerWaalsContact OG1-CG 3.32Å; T117-K168 WeakPolarHBondContact OG1-CG 3.48Å
169Q89.1Confident89.3Confident51 Ų5163 Ų6324%0.23828%0.282CS..PPolyproline II helixtrans-59.6127.9171.5-177.9173.511.100109.1L171 N260Q169-L171 PolarHBondContact O-N 3.35Å; Q169-N260 HydrophobicContact CG-CB 4.37Å; Q169-N260 PolarHBondContact NE2-OD1 2.96Å
170P86.1Confident89.6Confident35 Ų3556.1 Ų56.123%0.22726%0.255CS..PPolyproline II helixtrans-63.9138.3175.127.1-34000109.6K178P170-K178 HydrophobicContact CB-CB 4.21Å; P170-K178 HydrophobicContact CG-CB 4.14Å; P170-K178 HydrophobicContact CG-CG 4.48Å; P170-K178 WeakPolarHBondContact O-CB 3.49Å; P170-K178 PolarHBondContact O-N 2.71Å
171L88.6Confident89.7Confident86 Ų8660 Ų6045%0.4528%0.275SS..BIsolated β-bridgetrans-110.4128.8177.1-62.4176000109.2Q169 D175 R176Q169-L171 PolarHBondContact O-N 3.35Å; L171-D175 HydrophobicContact CD1-CB 4.49Å; L171-R176 CarbonylContact C-O 3.54Å; L171-R176 WeakPolarHBondContact CA-O 3.3Å
172A86.6Confident89.7Confident13 Ų1359.8 Ų59.811%0.10727%0.273CS..  trans-77-177.9167.200000110.7E80 D175 R176 K178E80-A172 VanDerWaalsContact OE1-CA 3.26Å; E80-A172 WeakPolarHBondContact OE1-CA 3.19Å; E80-A172 WeakPolarHBondContact OE1-CB 3.15Å; A172-D175 PolarHBondContact O-N 2.85Å; A172-R176 HydrophobicContact CB-CB 4.01Å; A172-R176 WeakPolarHBondContact CB-O 3.35Å; A172-R176 PolarHBondContact N-O 2.83Å; A172-K178 HydrophobicContact CB-CB 4.2Å
173S86.4Confident89.6Confident0 Ų059.4 Ų59.40%028%0.279CS..G310 helixtrans-55.3141.4177.5-50.80000111.1L76 L77 E80 D175 R176L76-S173 WeakPolarHBondContact CB-OG 3.48Å; L76-S173 PolarHBondContact O-OG 2.71Å; L77-S173 WeakPolarHBondContact CA-OG 3.11Å; L77-S173 PolarHBondContact N-OG 3.02Å; E80-S173 PolarHBondContact OE1-N 3.33Å; E80-S173 PolarHBondContact OE1-OG 3.03Å; E80-S173 PolarHBondContact OE2-OG 3.03Å; S173-D175 VanDerWaalsContact C-N 3.27Å; S173-D175 PolarHBondContact O-N 3.24Å; S173-R176 WeakPolarHBondContact O-CB 3.49Å; S173-R176 WeakPolarHBondContact O-CG 3.35Å; S173-R176 PolarHBondContact O-N 2.86Å; S173-R176 PolarHBondContact O-NE 2.87Å
174F86.4Confident89.3Confident127 Ų12761.2 Ų61.256%0.55729%0.292SS*.G310 helixtrans59.133.6-174.5-49.6-72.8000114.3H73 L77 R176H73-F174 PolarHBondContact ND1-N 3.46Å; H73-F174 VanDerWaalsContact ND1-N 3.14Å; L77-F174 HydrophobicContact CD1-CE2 3.64Å; L77-F174 HydrophobicContact CD1-CZ 4.1Å; F174-R176 PolarHBondContact O-N 2.89Å; F174-R176 VanDerWaalsContact O-N 3.1Å
175D84.1Confident89.2Confident107 Ų10760.8 Ų60.857%0.57229%0.289SS*.G310 helixtrans56.128.9179.9-58.8-40.4000113.1H73 L171 A172 S173H73-D175 IonicContact CE1-OD1 3.23Å; H73-D175 PolarHBondContact CE1-OD1 2.76Å; H73-D175 IonicContact CE1-OD2 3.27Å; L171-D175 HydrophobicContact CD1-CB 4.49Å; A172-D175 PolarHBondContact O-N 2.85Å; S173-D175 VanDerWaalsContact C-N 3.27Å; S173-D175 PolarHBondContact O-N 3.24Å
176R87Confident89.1Confident128 Ų12863.6 Ų63.648%0.48330%0.304SS..PPolyproline II helixtrans-69136.8172.2-71.9-177.9-73.6167.14.3108.5E80 L171 A172 S173 F174 K178E80-R176 IonicContact OE2-NH2 3.03Å; E80-R176 PolarHBondContact OE2-NH2 3.22Å; E80-R176 VanDerWaalsContact OE2-NH2 3.08Å; L171-R176 CarbonylContact C-O 3.54Å; L171-R176 WeakPolarHBondContact CA-O 3.3Å; A172-R176 HydrophobicContact CB-CB 4.01Å; A172-R176 WeakPolarHBondContact CB-O 3.35Å; A172-R176 PolarHBondContact N-O 2.83Å; S173-R176 WeakPolarHBondContact O-CB 3.49Å; S173-R176 WeakPolarHBondContact O-CG 3.35Å; S173-R176 PolarHBondContact O-N 2.86Å; S173-R176 PolarHBondContact O-NE 2.87Å; F174-R176 PolarHBondContact O-N 2.89Å; F174-R176 VanDerWaalsContact O-N 3.1Å; R176-K178 PolarHBondContact O-N 3.02Å
177K87.1Confident89.1Confident91 Ų9157.9 Ų57.940%0.39628%0.283SS..BIsolated β-bridgetrans-61.5124.4174.6-71.9-177.3171.6-164.80109.9Y179 E206K177-Y179 HydrophobicContact CB-CE1 4.03Å; K177-Y179 WeakPolarHBondContact CB-OH 3.3Å; K177-Y179 HydrophobicContact CD-CE1 4.48Å; K177-E206 IonicContact NZ-OE1 3.9Å; K177-E206 PolarHBondContact NZ-OE1 2.88Å; K177-E206 IonicContact NZ-OE2 2.71Å; K177-E206 PolarHBondContact NZ-OE2 2.91Å
178K88.7Confident89.2Confident100 Ų10057.8 Ų57.844%0.43528%0.282SS..PPolyproline II helixtrans-103.2149.1168-171.3174.6178.9-179.80108.3P170 A172 R176P170-K178 HydrophobicContact CB-CB 4.21Å; P170-K178 HydrophobicContact CG-CB 4.14Å; P170-K178 HydrophobicContact CG-CG 4.48Å; P170-K178 WeakPolarHBondContact O-CB 3.49Å; P170-K178 PolarHBondContact O-N 2.71Å; A172-K178 HydrophobicContact CB-CB 4.2Å; R176-K178 PolarHBondContact O-N 3.02Å
179Y90.4Very high89.3Confident79 Ų7954.3 Ų54.331%0.3127%0.267SS..  trans-119.8154.7180-48.8-65.3000109.9K177 E206 K258 N260K177-Y179 HydrophobicContact CB-CE1 4.03Å; K177-Y179 WeakPolarHBondContact CB-OH 3.3Å; K177-Y179 HydrophobicContact CD-CE1 4.48Å; Y179-E206 HydrophobicContact CD1-CB 3.87Å; Y179-E206 HydrophobicContact CE1-CB 3.39Å; Y179-E206 HydrophobicContact CE1-CG 3.59Å; Y179-K258 HydrophobicContact CD2-CG 4.37Å; Y179-K258 HydrophobicContact CG-CB 4.28Å; Y179-K258 HydrophobicContact CG-CG 4.45Å; Y179-N260 WeakPolarHBondContact CD1-OD1 3.29Å; Y179-N260 WeakPolarHBondContact CE1-OD1 3.45Å
180H89.6Confident89.6Confident34 Ų3451.9 Ų51.916%0.15726%0.256CS..BIsolated β-bridgetrans-91.2129.6166.3-62.6-83.1000109W105 W182 I259W105-H180 AromaticContact CZ2-NE2 3.95Å; H180-W182 HydrophobicContact CB-CZ2 4.26Å; H180-I259 HydrophobicContact CB-CB 4.35Å; H180-I259 PolarHBondContact N-O 2.9Å; H180-I259 PolarHBondContact O-N 3.06Å
181D89.3Confident90Very high98 Ų9854.3 Ų54.352%0.52426%0.26SS..  trans-98.4113.9173.7-175.9-1.8000108.5S183D181-S183 WeakPolarHBondContact OD1-CB 3.41Å; D181-S183 PolarHBondContact OD1-N 2.81Å; D181-S183 PolarHBondContact OD1-OG 3.24Å
182W90.7Very high90.3Very high1 Ų150.2 Ų50.20%0.00424%0.239CC..  trans-113.214.3177.1-59.7-13.4000112.4L104 W105 H180 S184 F185 I203 F236 L256 I259 I262 V283L104-W182 HydrophobicContact CD1-CD2 4.4Å; L104-W182 VanDerWaalsContact CD1-CE2 3.46Å; L104-W182 HydrophobicContact CD1-CZ2 3.56Å; L104-W182 VanDerWaalsContact CD1-NE1 3.29Å; W105-W182 HydrophobicContact CH2-CH2 4.34Å; W105-W182 AromaticContact CH2-CZ2 3.84Å; W105-W182 HydrophobicContact CH2-CZ2 3.84Å; W105-W182 HydrophobicContact CZ3-CZ2 4.15Å; H180-W182 HydrophobicContact CB-CZ2 4.26Å; W182-S184 PolarHBondContact O-N 2.83Å; W182-F185 PolarHBondContact O-N 2.98Å; W182-I203 HydrophobicContact CZ3-CD1 4.2Å; W182-I203 HydrophobicContact CZ3-CG2 4.2Å; W182-F236 HydrophobicContact CD2-CZ 4.34Å; W182-F236 AromaticContact CE3-CE1 3.7Å; W182-F236 HydrophobicContact CE3-CE1 3.7Å; W182-F236 HydrophobicContact CE3-CE2 4.31Å; W182-F236 AromaticContact CE3-CZ 3.42Å; W182-F236 HydrophobicContact CE3-CZ 3.42Å; W182-F236 VanDerWaalsContact CE3-CZ 3.42Å; W182-F236 AromaticContact CZ3-CE1 3.88Å; W182-F236 HydrophobicContact CZ3-CE1 3.88Å; W182-F236 HydrophobicContact CZ3-CZ 4.02Å; W182-L256 HydrophobicContact CB-CB 4.23Å; W182-L256 HydrophobicContact CB-CD2 4.44Å; W182-L256 PolarHBondContact N-O 2.8Å; W182-I259 HydrophobicContact CB-CD1 4.26Å; W182-I259 HydrophobicContact CD2-CD1 3.45Å; W182-I259 VanDerWaalsContact CD2-CD1 3.45Å; W182-I259 HydrophobicContact CE3-CD1 3.02Å; W182-I259 HydrophobicContact CE3-CG1 4.34Å; W182-I259 HydrophobicContact CG-CD1 4.04Å; W182-I259 HydrophobicContact CH2-CB 4.26Å; W182-I259 HydrophobicContact CH2-CD1 3.94Å; W182-I259 HydrophobicContact CH2-CG2 3.49Å; W182-I259 VanDerWaalsContact CH2-CG2 3.49Å; W182-I259 HydrophobicContact CZ2-CB 4.29Å; W182-I259 HydrophobicContact CZ2-CD1 4.36Å; W182-I259 HydrophobicContact CZ2-CG2 3.81Å; W182-I259 HydrophobicContact CZ3-CB 4.5Å; W182-I259 HydrophobicContact CZ3-CD1 3.32Å; W182-I259 HydrophobicContact CZ3-CG1 4.42Å; W182-I259 HydrophobicContact CZ3-CG2 3.98Å; W182-I262 HydrophobicContact CH2-CD1 3.35Å; W182-I262 HydrophobicContact CH2-CG1 3.52Å; W182-I262 HydrophobicContact CZ2-CD1 4.06Å; W182-I262 HydrophobicContact CZ2-CG1 4.31Å; W182-I262 HydrophobicContact CZ3-CD1 4.1Å; W182-I262 HydrophobicContact CZ3-CG1 4.42Å; W182-V283 HydrophobicContact CD2-CG1 3.91Å; W182-V283 HydrophobicContact CE3-CG1 4.11Å; W182-V283 HydrophobicContact CG-CG1 4.19Å
183S89Confident90.6Very high56 Ų5652.9 Ų52.939%0.39225%0.246SC..THydrogen-bonded Turntrans-53.4-29.7-17855.90000113.8D181 F185 D257D181-S183 WeakPolarHBondContact OD1-CB 3.41Å; D181-S183 PolarHBondContact OD1-N 2.81Å; D181-S183 PolarHBondContact OD1-OG 3.24Å; S183-F185 VanDerWaalsContact C-N 3.31Å; S183-F185 PolarHBondContact O-N 2.86Å; S183-D257 WeakPolarHBondContact CB-OD1 3.33Å
184S88.5Confident90.8Very high39 Ų3953.4 Ų53.427%0.27325%0.252SS..THydrogen-bonded Turntrans-74-15.5177.9-62.10000114.9W182 K285W182-S184 PolarHBondContact O-N 2.83Å; S184-K285 WeakPolarHBondContact O-CD 3.32Å; S184-K285 PolarHBondContact O-NZ 3.34Å
185F91.3Very high91Very high3 Ų349.8 Ų49.81%0.01324%0.238CC..  trans-118.1148.5-169.5-55.2-76.5000112.6E99 Q102 W182 S183 F236 V283 K285E99-F185 WeakPolarHBondContact O-CE1 3.16Å; Q102-F185 HydrophobicContact CB-CE1 4.23Å; Q102-F185 HydrophobicContact CB-CE2 4.34Å; Q102-F185 HydrophobicContact CB-CZ 3.72Å; Q102-F185 VanDerWaalsContact OE1-CE2 3.29Å; W182-F185 PolarHBondContact O-N 2.98Å; S183-F185 VanDerWaalsContact C-N 3.31Å; S183-F185 PolarHBondContact O-N 2.86Å; F185-F236 HydrophobicContact CB-CE2 4.48Å; F185-V283 HydrophobicContact CB-CB 3.93Å; F185-V283 HydrophobicContact CB-CG2 4.25Å; F185-V283 HydrophobicContact CD1-CB 4.33Å; F185-V283 HydrophobicContact CD1-CG2 4.03Å; F185-V283 HydrophobicContact CD2-CB 4.03Å; F185-V283 HydrophobicContact CD2-CG2 3.39Å; F185-V283 HydrophobicContact CE1-CG2 4.22Å; F185-V283 HydrophobicContact CE2-CG2 3.6Å; F185-V283 HydrophobicContact CG-CB 3.85Å; F185-V283 HydrophobicContact CG-CG2 3.62Å; F185-V283 HydrophobicContact CZ-CG2 4.02Å; F185-K285 HydrophobicContact CD1-CB 4.2Å
186N92.5Very high91.3Very high58 Ų5846.6 Ų46.631%0.3123%0.231SC..  trans-110.9-23.5-175-64.85.4000112.9F236 C284N186-F236 WeakPolarHBondContact O-CD2 3.46Å; N186-F236 PolarHBondContact O-N 3.12Å; N186-C284 PolarHBondContact N-O 3.26Å
187T94.2Very high91.6Very high1 Ų142 Ų421%0.00621%0.213CC..EExtended strand (participates in β ladder)trans-128.5140.7-172.365.10000111.7I234 P235 V283 C284 D286T187-I234 CarbonylContact C-O 3.48Å; T187-I234 WeakPolarHBondContact CA-O 3.46Å; T187-P235 HydrophobicContact CG2-CB 4.33Å; T187-P235 HydrophobicContact CG2-CG 4.29Å; T187-V283 CarbonylContact O-C 3.6Å; T187-V283 WeakPolarHBondContact O-CA 3.2Å; T187-C284 PolarHBondContact N-O 3.2Å; T187-C284 PolarHBondContact O-N 3.38Å; T187-C284 WeakPolarHBondContact OG1-CB 3.09Å; T187-C284 PolarHBondContact OG1-O 2.91Å; T187-D286 HydrophobicContact CG2-CB 3.75Å
188L95.3Very high91.9Very high0 Ų039.9 Ų39.90%021%0.209CC..EExtended strand (participates in β ladder)trans-84.6128.1166.5-172.872000108.9L190 I201 K233 I234 F236 F239 I262 I281 G282 V283L188-L190 HydrophobicContact CD2-CD1 3.86Å; L188-L190 HydrophobicContact CD2-CD2 4.26Å; L188-L190 HydrophobicContact CD2-CG 4.09Å; L188-L190 HydrophobicContact CG-CD1 4.38Å; L188-L190 HydrophobicContact CG-CD2 4.26Å; L188-L190 HydrophobicContact CG-CG 4.08Å; L188-I201 HydrophobicContact CD2-CG2 4.05Å; L188-K233 CarbonylContact O-C 3.57Å; L188-K233 WeakPolarHBondContact O-CA 3.4Å; L188-I234 HydrophobicContact CB-CB 4.47Å; L188-I234 PolarHBondContact N-O 2.92Å; L188-I234 PolarHBondContact O-N 3.1Å; L188-F236 HydrophobicContact CB-CE1 3.92Å; L188-F236 HydrophobicContact CB-CZ 4.22Å; L188-F236 HydrophobicContact CD1-CE1 4.45Å; L188-F239 HydrophobicContact CD2-CZ 4.09Å; L188-I262 HydrophobicContact CD1-CD1 3.88Å; L188-I281 HydrophobicContact CD1-CG2 4.33Å; L188-G282 WeakPolarHBondContact CD1-O 3.19Å; L188-V283 HydrophobicContact CD1-CG1 4.27Å
189H95.6Very high92.2Very high34 Ų3435.1 Ų35.116%0.15719%0.188CC..EExtended strand (participates in β ladder)trans-113.3120.4179.1-174.6-151.7000110.1F280 G282 C284H189-F280 AromaticContact CE1-CE2 3.87Å; H189-F280 AromaticContact CE1-CZ 3.64Å; H189-F280 AromaticContact ND1-CE2 3.66Å; H189-F280 AromaticContact ND1-CZ 3.92Å; H189-G282 PolarHBondContact N-O 3.25Å; H189-G282 CarbonylContact O-C 3.41Å; H189-G282 PolarHBondContact O-N 2.59Å; H189-G282 VanDerWaalsContact O-O 3.05Å; H189-C284 HydrophobicContact CB-CB 4.23Å
190L95.3Very high92.4Very high0 Ų033.8 Ų33.80%019%0.185CC..EExtended strand (participates in β ladder)trans-127.5135.8-175.6-61.9172.2000109.4L188 V192 I201 D231 V232 I234 F264 I281L188-L190 HydrophobicContact CD2-CD1 3.86Å; L188-L190 HydrophobicContact CD2-CD2 4.26Å; L188-L190 HydrophobicContact CD2-CG 4.09Å; L188-L190 HydrophobicContact CG-CD1 4.38Å; L188-L190 HydrophobicContact CG-CD2 4.26Å; L188-L190 HydrophobicContact CG-CG 4.08Å; L190-V192 HydrophobicContact CB-CG1 4.19Å; L190-I201 HydrophobicContact CD1-CD1 3.4Å; L190-I201 VanDerWaalsContact CD1-CD1 3.4Å; L190-I201 HydrophobicContact CD1-CG1 4.32Å; L190-D231 CarbonylContact O-C 3.51Å; L190-D231 WeakPolarHBondContact O-CA 3.07Å; L190-V232 PolarHBondContact N-O 2.88Å; L190-V232 PolarHBondContact O-N 2.8Å; L190-I234 HydrophobicContact CD1-CD1 4.09Å; L190-F264 HydrophobicContact CD1-CE1 4.26Å; L190-F264 HydrophobicContact CD2-CZ 4.15Å; L190-I281 HydrophobicContact CD2-CB 3.92Å; L190-I281 HydrophobicContact CD2-CG1 3.68Å; L190-I281 HydrophobicContact CD2-CG2 3.59Å
191R94.4Very high92.7Very high85 Ų8532.1 Ų32.132%0.32118%0.178SC..EExtended strand (participates in β ladder)trans-111.1109.5167.4-176.3165.2-170.8-144.712.1109.5W229 D231 D279 F280R191-W229 HydrophobicContact CG-CE3 3.99Å; R191-D231 VanDerWaalsContact CB-OD1 3.3Å; R191-D231 WeakPolarHBondContact CB-OD1 3Å; R191-D231 WeakPolarHBondContact CD-OD1 3.44Å; R191-D231 WeakPolarHBondContact CG-OD1 3.29Å; R191-D231 IonicContact NE-OD1 3.76Å; R191-D279 HydrophobicContact CB-CB 4.11Å; R191-D279 WeakPolarHBondContact CD-OD2 3.35Å; R191-D279 HydrophobicContact CG-CB 3.97Å; R191-D279 IonicContact CZ-OD2 3.27Å; R191-D279 IonicContact NE-OD2 3.38Å; R191-D279 IonicContact NH1-OD2 3.54Å; R191-D279 PolarHBondContact NH1-OD2 3.4Å; R191-D279 PolarHBondContact O-N 2.85Å; R191-F280 HydrophobicContact CB-CD1 3.76Å; R191-F280 HydrophobicContact CB-CE1 3.4Å; R191-F280 HydrophobicContact CB-CE2 4.42Å; R191-F280 HydrophobicContact CB-CG 4.43Å; R191-F280 HydrophobicContact CB-CZ 3.75Å; R191-F280 HydrophobicContact CG-CE1 4.13Å; R191-F280 PolarHBondContact N-O 2.82Å
192V94.2Very high93Very high0 Ų028 Ų280%016%0.156CC..EExtended strand (participates in β ladder)trans-131.3151.1-169.7-65.20000111.6L190 L221 Q230 V232 L276 E277 I278L190-V192 HydrophobicContact CB-CG1 4.19Å; V192-L221 HydrophobicContact CG2-CD2 4.3Å; V192-Q230 PolarHBondContact N-O 3.02Å; V192-Q230 PolarHBondContact O-N 2.98Å; V192-V232 HydrophobicContact CG2-CG2 3.98Å; V192-L276 HydrophobicContact CB-CD1 4.47Å; V192-E277 CarbonylContact C-O 3.55Å; V192-E277 VanDerWaalsContact CA-O 3.29Å; V192-E277 WeakPolarHBondContact CA-O 3.1Å; V192-I278 HydrophobicContact CG1-CG1 4.15Å; V192-I278 HydrophobicContact CG1-CG2 4.35Å
193R92.8Very high93.3Very high69 Ų6928 Ų2826%0.2616%0.155SC..EExtended strand (participates in β ladder)trans-129.7117169.1173.4173.275.2173.86.2107.8P227 W229 E277R193-P227 WeakPolarHBondContact CD-O 3.4Å; R193-P227 PolarHBondContact NH1-O 2.74Å; R193-W229 HydrophobicContact CB-CD2 4.01Å; R193-W229 HydrophobicContact CB-CE3 3.7Å; R193-W229 HydrophobicContact CB-CH2 4.37Å; R193-W229 HydrophobicContact CB-CZ3 3.89Å; R193-E277 HydrophobicContact CB-CB 4.15Å; R193-E277 IonicContact CZ-OE1 3.81Å; R193-E277 IonicContact CZ-OE2 3.67Å; R193-E277 PolarHBondContact N-O 2.77Å; R193-E277 IonicContact NE-OE1 3.63Å; R193-E277 IonicContact NE-OE2 2.54Å; R193-E277 PolarHBondContact NE-OE2 2.69Å; R193-E277 IonicContact NH2-OE1 3.42Å; R193-E277 PolarHBondContact NH2-OE1 3.47Å; R193-E277 IonicContact NH2-OE2 2.76Å; R193-E277 PolarHBondContact NH2-OE2 2.75Å; R193-E277 PolarHBondContact O-N 2.81Å
194G90.9Very high93.5Very high11 Ų1126.3 Ų26.311%0.11314%0.143CC..EExtended strand (participates in β ladder)trans-121.6171.2-17400000114G225 G226G194-G225 WeakPolarHBondContact O-CA 3.47Å; G194-G226 PolarHBondContact O-N 3.02Å
195D89.8Confident93.7Very high52 Ų5224.7 Ų24.728%0.27813%0.131SC..  trans-86.2-2.4-177.754.4-1.8000114.7R197 F274 Q275D195-R197 WeakPolarHBondContact OD1-CB 3.42Å; D195-R197 WeakPolarHBondContact OD1-CG 3.28Å; D195-R197 PolarHBondContact OD1-N 2.87Å; D195-R197 VanDerWaalsContact OD1-N 3.16Å; D195-R197 WeakPolarHBondContact OD2-CD 3.5Å; D195-F274 WeakPolarHBondContact OD2-CA 3.26Å; D195-F274 WeakPolarHBondContact OD2-CB 3.29Å; D195-Q275 WeakPolarHBondContact CB-O 3.46Å; D195-Q275 VanDerWaalsContact CG-O 3.28Å; D195-Q275 PolarHBondContact N-O 3.41Å; D195-Q275 PolarHBondContact OD2-N 3.45Å
196G90.9Very high93.5Very high40 Ų4026.7 Ų26.741%0.41214%0.141SC..SBendtrans99.5-1.1-176.800000113.5T223G196-T223 WeakPolarHBondContact CA-O 2.99Å; G196-T223 VanDerWaalsContact CA-OG1 3.27Å; G196-T223 WeakPolarHBondContact CA-OG1 3.2Å; G196-T223 PolarHBondContact N-OG1 2.68Å
197R92.6Very high93.1Very high31 Ų3124.7 Ų24.712%0.11713%0.131CC..PPolyproline II helixtrans-86.7153.5-178.3-57.2-179.377.2166.4-4.2111.3D195 W199 T223 L266 D268 A270 G272 P273D195-R197 WeakPolarHBondContact OD1-CB 3.42Å; D195-R197 WeakPolarHBondContact OD1-CG 3.28Å; D195-R197 PolarHBondContact OD1-N 2.87Å; D195-R197 VanDerWaalsContact OD1-N 3.16Å; D195-R197 WeakPolarHBondContact OD2-CD 3.5Å; R197-W199 PolarHBondContact O-N 3.2Å; R197-T223 PolarHBondContact N-OG1 2.7Å; R197-T223 PolarHBondContact O-OG1 3.04Å; R197-L266 HydrophobicContact CB-CD1 4.18Å; R197-D268 IonicContact CZ-OD1 3.44Å; R197-D268 IonicContact CZ-OD2 3.74Å; R197-D268 VanDerWaalsContact CZ-OD2 3.31Å; R197-D268 IonicContact NE-OD2 2.68Å; R197-D268 PolarHBondContact NE-OD2 3.41Å; R197-D268 IonicContact NH2-OD1 3.92Å; R197-D268 PolarHBondContact NH2-OD1 3.27Å; R197-D268 IonicContact NH2-OD2 2.88Å; R197-D268 PolarHBondContact NH2-OD2 3.47Å; R197-A270 PolarHBondContact NH2-O 2.8Å; R197-G272 PolarHBondContact NH1-O 2.91Å; R197-P273 PolarHBondContact NH1-O 3.15Å; R197-P273 VanDerWaalsContact NH1-O 3.12Å
198P93.8Very high92.4Very high46 Ų4633.7 Ų33.730%0.29917%0.166SC..EExtended strand (participates in β ladder)trans-78.5117.1173.630.8-31.6000110.1L221 Y222 L266 D268P198-L221 WeakPolarHBondContact CA-O 3.42Å; P198-Y222 HydrophobicContact CB-CD1 3.89Å; P198-Y222 HydrophobicContact CB-CE1 3.79Å; P198-L266 WeakPolarHBondContact O-CD1 3.43Å; P198-D268 HydrophobicContact CG-CB 3.85Å
199W94.6Very high91.6Very high0 Ų040.5 Ų40.50%019%0.193CC..EExtended strand (participates in β ladder)trans-98.6144.6173.9-76.683.3000110.2L143 R197 F220 L221 F264 L266 F274 L276L143-W199 HydrophobicContact CD2-CH2 3.48Å; L143-W199 VanDerWaalsContact CD2-CH2 3.48Å; L143-W199 HydrophobicContact CD2-CZ3 3.66Å; L143-W199 HydrophobicContact CG-CH2 4.36Å; R197-W199 PolarHBondContact O-N 3.2Å; W199-F220 CarbonylContact O-C 3.38Å; W199-L221 HydrophobicContact CB-CB 4.3Å; W199-L221 HydrophobicContact CB-CD2 4.39Å; W199-L221 PolarHBondContact N-O 3.5Å; W199-L221 WeakPolarHBondContact O-CA 3.26Å; W199-L221 WeakPolarHBondContact O-CB 3.27Å; W199-L221 PolarHBondContact O-N 3.2Å; W199-F264 HydrophobicContact CE3-CB 4.01Å; W199-F264 HydrophobicContact CZ3-CB 4.28Å; W199-L266 HydrophobicContact CD2-CB 4.3Å; W199-L266 HydrophobicContact CD2-CD1 4.28Å; W199-L266 HydrophobicContact CE3-CB 3.92Å; W199-L266 HydrophobicContact CH2-CB 3.82Å; W199-L266 HydrophobicContact CH2-CD2 4.28Å; W199-L266 HydrophobicContact CZ2-CB 4.19Å; W199-L266 HydrophobicContact CZ2-CD1 4.44Å; W199-L266 HydrophobicContact CZ2-CD2 4.09Å; W199-L266 HydrophobicContact CZ2-CG 4.48Å; W199-L266 HydrophobicContact CZ3-CB 3.68Å; W199-F274 AromaticContact CH2-CD2 3.69Å; W199-F274 HydrophobicContact CH2-CD2 3.69Å; W199-F274 AromaticContact CH2-CE2 3.82Å; W199-F274 HydrophobicContact CH2-CE2 3.82Å; W199-F274 HydrophobicContact CZ2-CB 4.48Å; W199-F274 AromaticContact CZ2-CD2 3.63Å; W199-F274 HydrophobicContact CZ2-CD2 3.63Å; W199-F274 HydrophobicContact CZ2-CE2 4.24Å; W199-F274 HydrophobicContact CZ2-CG 4.33Å; W199-L276 HydrophobicContact CD2-CB 4.47Å; W199-L276 HydrophobicContact CD2-CD2 3.75Å; W199-L276 HydrophobicContact CE3-CD2 3.88Å; W199-L276 HydrophobicContact CG-CD2 4.24Å; W199-L276 HydrophobicContact CH2-CB 4.14Å; W199-L276 HydrophobicContact CH2-CD2 4.31Å; W199-L276 HydrophobicContact CZ2-CB 3.58Å; W199-L276 HydrophobicContact CZ2-CD2 4.21Å; W199-L276 HydrophobicContact CZ2-CG 4.45Å; W199-L276 HydrophobicContact CZ3-CD2 4.15Å
200M95.4Very high90.9Very high51 Ų5145.7 Ų45.725%0.25122%0.22SC..EExtended strand (participates in β ladder)trans-98.9122.8171.1-172.1-177.7-73.600109.2N202 Y219 F220 F264 T265M200-N202 WeakPolarHBondContact CG-OD1 3.4Å; M200-N202 PolarHBondContact SD-OD1 3.44Å; M200-N202 VanDerWaalsContact SD-OD1 3.35Å; M200-Y219 CarbonylContact C-O 3.58Å; M200-Y219 WeakPolarHBondContact CA-O 3.49Å; M200-F220 HydrophobicContact CE-CD1 4.26Å; M200-F220 HydrophobicContact CE-CE1 3.37Å; M200-F220 HydrophobicContact CE-CZ 3.67Å; M200-F264 CarbonylContact O-C 3.42Å; M200-F264 WeakPolarHBondContact O-CA 3.38Å; M200-T265 WeakPolarHBondContact CB-O 3.39Å; M200-T265 PolarHBondContact N-O 2.88Å; M200-T265 PolarHBondContact O-N 2.91Å
201I96.1Very high90.2Very high0 Ų053.5 Ų53.50%026%0.256CS..EExtended strand (participates in β ladder)trans-89.8126.4169.8-60.3161.7000107.2L188 L190 S218 Y219 L221 I234 F239 I262 G263 F264L188-I201 HydrophobicContact CD2-CG2 4.05Å; L190-I201 HydrophobicContact CD1-CD1 3.4Å; L190-I201 VanDerWaalsContact CD1-CD1 3.4Å; L190-I201 HydrophobicContact CD1-CG1 4.32Å; I201-S218 CarbonylContact O-C 3.42Å; I201-S218 VanDerWaalsContact O-CA 3.27Å; I201-S218 WeakPolarHBondContact O-CA 3.44Å; I201-Y219 HydrophobicContact CD1-CD1 4.49Å; I201-Y219 PolarHBondContact N-O 3.19Å; I201-Y219 PolarHBondContact O-N 3.12Å; I201-L221 HydrophobicContact CD1-CB 3.81Å; I201-L221 HydrophobicContact CD1-CD2 4.13Å; I201-L221 HydrophobicContact CD1-CG 4.39Å; I201-L221 HydrophobicContact CG1-CB 4.12Å; I201-L221 HydrophobicContact CG1-CD2 4.43Å; I201-I234 HydrophobicContact CD1-CD1 3.29Å; I201-F239 HydrophobicContact CB-CE1 4.39Å; I201-F239 HydrophobicContact CG2-CE1 4.07Å; I201-F239 HydrophobicContact CG2-CZ 4.36Å; I201-I262 HydrophobicContact CG2-CG2 4.22Å; I201-G263 CarbonylContact C-O 3.59Å; I201-G263 WeakPolarHBondContact CA-O 3.07Å; I201-F264 HydrophobicContact CD1-CE1 4.48Å; I201-F264 HydrophobicContact CG1-CD1 3.96Å; I201-F264 HydrophobicContact CG1-CE1 3.85Å
202N95.9Very high89.6Confident11 Ų1152.7 Ų52.76%0.05926%0.256CS..EExtended strand (participates in β ladder)trans-118.1119.4-177.6-70.3-37.4000109.8M200 Y217 S218 I262 G263 T265M200-N202 WeakPolarHBondContact CG-OD1 3.4Å; M200-N202 PolarHBondContact SD-OD1 3.44Å; M200-N202 VanDerWaalsContact SD-OD1 3.35Å; N202-Y217 CarbonylContact C-O 3.59Å; N202-Y217 WeakPolarHBondContact CA-O 3.24Å; N202-S218 WeakPolarHBondContact OD1-CB 3.42Å; N202-S218 PolarHBondContact OD1-OG 3.03Å; N202-I262 CarbonylContact O-C 3.6Å; N202-I262 VanDerWaalsContact O-CA 3.3Å; N202-I262 WeakPolarHBondContact O-CA 3.49Å; N202-G263 PolarHBondContact N-O 2.8Å; N202-G263 PolarHBondContact O-N 3.23Å; N202-T265 WeakPolarHBondContact ND2-CB 3.32Å; N202-T265 PolarHBondContact ND2-OG1 2.72Å
203I95.5Very high89Confident0 Ų057.6 Ų57.60%028%0.277CS..EExtended strand (participates in β ladder)trans-103.9123.3171.4-59.6170.1000107.1W182 P205 Y217 F236 F239 V254 I259 I262W182-I203 HydrophobicContact CZ3-CD1 4.2Å; W182-I203 HydrophobicContact CZ3-CG2 4.2Å; I203-P205 WeakPolarHBondContact O-CD 3.43Å; I203-Y217 PolarHBondContact N-O 3.47Å; I203-Y217 PolarHBondContact O-N 2.84Å; I203-F236 HydrophobicContact CD1-CD1 4.01Å; I203-F236 HydrophobicContact CD1-CE1 3.86Å; I203-F239 HydrophobicContact CD1-CD1 3.91Å; I203-F239 HydrophobicContact CD1-CD2 4.48Å; I203-F239 HydrophobicContact CD1-CE1 3.48Å; I203-F239 VanDerWaalsContact CD1-CE1 3.48Å; I203-F239 HydrophobicContact CD1-CE2 4.08Å; I203-F239 HydrophobicContact CD1-CG 4.39Å; I203-F239 HydrophobicContact CD1-CZ 3.57Å; I203-F239 HydrophobicContact CG1-CD1 4.4Å; I203-F239 HydrophobicContact CG1-CE1 3.93Å; I203-F239 HydrophobicContact CG1-CZ 4.4Å; I203-V254 HydrophobicContact CG2-CG1 4.44Å; I203-I259 HydrophobicContact CG2-CD1 4.16Å; I203-I259 HydrophobicContact CG2-CG1 4.37Å; I203-I259 HydrophobicContact CG2-CG2 3.79Å; I203-I262 HydrophobicContact CG1-CG1 4.41Å
204V93.8Very high88.7Confident22 Ų2257.4 Ų57.413%0.13328%0.282CS..EExtended strand (participates in β ladder)trans-107.6107.8177.7-176.20000107.6M216 N260 S261V204-M216 HydrophobicContact CG2-CB 4.21Å; V204-N260 WeakPolarHBondContact O-CA 3.35Å; V204-N260 VanDerWaalsContact O-CB 3.24Å; V204-N260 WeakPolarHBondContact O-CB 3.43Å; V204-N260 PolarHBondContact O-N 3.45Å; V204-S261 PolarHBondContact N-O 3.11Å; V204-S261 PolarHBondContact O-N 3.36Å
205P92.1Very high88.7Confident4 Ų457.7 Ų57.73%0.02628%0.28CS..EExtended strand (participates in β ladder)trans-81.7163.5168.429.4-27000111.4I203 Y217 W255 K258I203-P205 WeakPolarHBondContact O-CD 3.43Å; P205-Y217 HydrophobicContact CG-CD2 3.66Å; P205-Y217 HydrophobicContact CG-CE2 3.56Å; P205-W255 HydrophobicContact CB-CB 4.41Å; P205-K258 CarbonylContact C-O 3.6Å; P205-K258 VanDerWaalsContact CA-O 3.3Å; P205-K258 WeakPolarHBondContact CA-O 3.31Å
206E88.6Confident88.9Confident46 Ų4657 Ų5722%0.21528%0.276CS..PPolyproline II helixtrans-82.3116.2167.5-175.278.7-179.200109.2K177 Y179 K258 N260K177-E206 IonicContact NZ-OE1 3.9Å; K177-E206 PolarHBondContact NZ-OE1 2.88Å; K177-E206 IonicContact NZ-OE2 2.71Å; K177-E206 PolarHBondContact NZ-OE2 2.91Å; Y179-E206 HydrophobicContact CD1-CB 3.87Å; Y179-E206 HydrophobicContact CE1-CB 3.39Å; Y179-E206 HydrophobicContact CE1-CG 3.59Å; E206-K258 HydrophobicContact CB-CB 4.42Å; E206-K258 PolarHBondContact N-O 2.97Å; E206-N260 WeakPolarHBondContact CA-ND2 3.32Å; E206-N260 PolarHBondContact N-ND2 3.06Å; E206-N260 PolarHBondContact OE2-ND2 3.43Å; E206-N260 PolarHBondContact OE2-OD1 3.13Å
207T82.8Confident89.1Confident15 Ų1555.6 Ų55.69%0.09226%0.258CS..PPolyproline II helixtrans-90142.7174.5-460000111.8Q212 W255T207-Q212 WeakPolarHBondContact CB-O 3.35Å; T207-Q212 HydrophobicContact CG2-CB 3.27Å; T207-Q212 HydrophobicContact CG2-CG 4.11Å; T207-Q212 PolarHBondContact OG1-O 3.28Å; T207-W255 HydrophobicContact CG2-CH2 3.87Å; T207-W255 HydrophobicContact CG2-CZ3 3.67Å
208Y79.8Confident89.3Confident191 Ų19154.1 Ų54.175%0.74925%0.253SS*.SBendtrans-66.9-38.6178.3-177.1-101.8000112.4
209Y79.6Confident89.3Confident143 Ų14355 Ų5556%0.56125%0.251SS*.SBendtrans-89.2136.1-176.8-61.3-75.7000112H211 Q212Y209-H211 PolarHBondContact O-N 3.18Å; Y209-Q212 VanDerWaalsContact CD2-OE1 3.29Å; Y209-Q212 PolarHBondContact O-N 3.11Å; Y209-Q212 VanDerWaalsContact O-N 3.1Å
210I79.8Confident89.4Confident143 Ų14359 Ų5973%0.73327%0.268SS*.G310 helixtrans-61.3-34-179-60.6171.1000111.8Q212 K213I210-Q212 PolarHBondContact O-N 3.04Å; I210-K213 VanDerWaalsContact O-CB 3.23Å; I210-K213 WeakPolarHBondContact O-CB 3.35Å; I210-K213 PolarHBondContact O-N 2.85Å
211H81Confident89.3Confident164 Ų16456.8 Ų56.876%0.75926%0.257SS*.G310 helixtrans-66.4-27.1-179.9-53.8-61.6000112.8Y209 H243Y209-H211 PolarHBondContact O-N 3.18Å; H211-H243 PolarHBondContact O-NE2 2.85Å
212Q82.3Confident89.1Confident67 Ų6764.2 Ų64.231%0.31329%0.287SS..G310 helixtrans-95.513.1-179.7-73178.3-3600112.7T207 Y209 I210 D214 D215T207-Q212 WeakPolarHBondContact CB-O 3.35Å; T207-Q212 HydrophobicContact CG2-CB 3.27Å; T207-Q212 HydrophobicContact CG2-CG 4.11Å; T207-Q212 PolarHBondContact OG1-O 3.28Å; Y209-Q212 VanDerWaalsContact CD2-OE1 3.29Å; Y209-Q212 PolarHBondContact O-N 3.11Å; Y209-Q212 VanDerWaalsContact O-N 3.1Å; I210-Q212 PolarHBondContact O-N 3.04Å; Q212-D214 PolarHBondContact O-N 3.08Å; Q212-D215 WeakPolarHBondContact CB-OD2 3.39Å; Q212-D215 VanDerWaalsContact CG-OD2 3.29Å; Q212-D215 WeakPolarHBondContact CG-OD2 3.43Å; Q212-D215 VanDerWaalsContact O-CB 3.26Å; Q212-D215 WeakPolarHBondContact O-CB 3.4Å; Q212-D215 VanDerWaalsContact O-CG 3.29Å; Q212-D215 PolarHBondContact O-N 3.43Å; Q212-D215 VanDerWaalsContact O-N 3.12Å
213K81.4Confident88.9Confident103 Ų10364.1 Ų64.145%0.44829%0.286SS..THydrogen-bonded Turntrans-60.8-26.8-179.8-176.3179.5179.1-178.20113.2I210I210-K213 VanDerWaalsContact O-CB 3.23Å; I210-K213 WeakPolarHBondContact O-CB 3.35Å; I210-K213 PolarHBondContact O-N 2.85Å
214D86.6Confident88.4Confident66 Ų6674.2 Ų74.235%0.35332%0.324SS..THydrogen-bonded Turntrans-99.714.9-178.9-54.5-41.3000112.4Q212 R244Q212-D214 PolarHBondContact O-N 3.08Å; D214-R244 HydrophobicContact CB-CG 3.81Å; D214-R244 IonicContact OD2-CZ 3.72Å; D214-R244 VanDerWaalsContact OD2-CZ 3.27Å; D214-R244 IonicContact OD2-NE 3.12Å; D214-R244 PolarHBondContact OD2-NE 2.85Å; D214-R244 IonicContact OD2-NH2 2.6Å; D214-R244 PolarHBondContact OD2-NH2 3.15Å
215D91.5Very high87.9Confident16 Ų1675 Ų759%0.08634%0.337CS..EExtended strand (participates in β ladder)trans-70.5131.8173.9-73.23.6000109.5Q212 L241 H243Q212-D215 WeakPolarHBondContact CB-OD2 3.39Å; Q212-D215 VanDerWaalsContact CG-OD2 3.29Å; Q212-D215 WeakPolarHBondContact CG-OD2 3.43Å; Q212-D215 VanDerWaalsContact O-CB 3.26Å; Q212-D215 WeakPolarHBondContact O-CB 3.4Å; Q212-D215 VanDerWaalsContact O-CG 3.29Å; Q212-D215 PolarHBondContact O-N 3.43Å; Q212-D215 VanDerWaalsContact O-N 3.12Å; D215-L241 HydrophobicContact CB-CD1 3.94Å; D215-H243 IonicContact OD1-CD2 3.15Å; D215-H243 PolarHBondContact OD1-CD2 3.44Å; D215-H243 IonicContact OD1-CG 3.63Å; D215-H243 IonicContact OD1-NE2 2.79Å
216M93.6Very high87.5Confident39 Ų3976.7 Ų76.719%0.19236%0.355CS..EExtended strand (participates in β ladder)trans-138.3146.5174.667.4-173.773.600110.1V204 A242V204-M216 HydrophobicContact CG2-CB 4.21Å; M216-A242 HydrophobicContact CG-CB 4.22Å; M216-A242 WeakPolarHBondContact CG-O 3.26Å; M216-A242 PolarHBondContact N-O 3.23Å; M216-A242 PolarHBondContact O-N 3.43Å; M216-A242 VanDerWaalsContact O-O 3.05Å
217Y95Very high87.4Confident9 Ų978.8 Ų78.84%0.03537%0.372CS..EExtended strand (participates in β ladder)trans-99.2117.8173.9-73.8-82.7000108.6N202 I203 P205 F239 F240 L241 H252 P253 V254N202-Y217 CarbonylContact C-O 3.59Å; N202-Y217 WeakPolarHBondContact CA-O 3.24Å; I203-Y217 PolarHBondContact N-O 3.47Å; I203-Y217 PolarHBondContact O-N 2.84Å; P205-Y217 HydrophobicContact CG-CD2 3.66Å; P205-Y217 HydrophobicContact CG-CE2 3.56Å; Y217-F239 HydrophobicContact CD1-CB 4.48Å; Y217-F240 CarbonylContact C-O 3.59Å; Y217-F240 WeakPolarHBondContact CA-O 3.44Å; Y217-L241 HydrophobicContact CD1-CB 4.3Å; Y217-L241 HydrophobicContact CD1-CD1 4.46Å; Y217-L241 HydrophobicContact CE1-CB 3.91Å; Y217-L241 HydrophobicContact CE1-CD1 4.03Å; Y217-L241 HydrophobicContact CE2-CD1 4.09Å; Y217-H252 VanDerWaalsContact CE1-O 3.25Å; Y217-H252 WeakPolarHBondContact CE1-O 3.07Å; Y217-P253 PolarHBondContact OH-O 3.44Å; Y217-V254 HydrophobicContact CD1-CB 4.43Å; Y217-V254 HydrophobicContact CD1-CG2 3.63Å; Y217-V254 HydrophobicContact CD2-CB 4.47Å; Y217-V254 HydrophobicContact CD2-CG1 4.05Å; Y217-V254 HydrophobicContact CD2-CG2 4.31Å; Y217-V254 HydrophobicContact CE1-CG2 4.11Å; Y217-V254 HydrophobicContact CE2-CG1 4.42Å; Y217-V254 HydrophobicContact CG-CB 4.35Å; Y217-V254 HydrophobicContact CG-CG1 4.22Å; Y217-V254 HydrophobicContact CG-CG2 3.72Å
218S95.3Very high87.8Confident1 Ų187.3 Ų87.31%0.00740%0.404CS..EExtended strand (participates in β ladder)trans-111.8147.6-172.5-63.10000111.3I201 N202 F240I201-S218 CarbonylContact O-C 3.42Å; I201-S218 VanDerWaalsContact O-CA 3.27Å; I201-S218 WeakPolarHBondContact O-CA 3.44Å; N202-S218 WeakPolarHBondContact OD1-CB 3.42Å; N202-S218 PolarHBondContact OD1-OG 3.03Å; S218-F240 PolarHBondContact N-O 2.88Å; S218-F240 WeakPolarHBondContact O-CD1 3.46Å; S218-F240 VanDerWaalsContact O-CE1 3.25Å; S218-F240 WeakPolarHBondContact O-CE1 3.34Å; S218-F240 PolarHBondContact O-N 3.1Å
219Y95.7Very high88.4Confident65 Ų6582.4 Ų82.426%0.25538%0.384SS..EExtended strand (participates in β ladder)trans-143.9142.5171.2-178.5-93.4000110.4M200 I201 I234 K238 F239M200-Y219 CarbonylContact C-O 3.58Å; M200-Y219 WeakPolarHBondContact CA-O 3.49Å; I201-Y219 HydrophobicContact CD1-CD1 4.49Å; I201-Y219 PolarHBondContact N-O 3.19Å; I201-Y219 PolarHBondContact O-N 3.12Å; Y219-I234 HydrophobicContact CD1-CD1 3.7Å; Y219-I234 HydrophobicContact CD1-CG1 4.33Å; Y219-I234 HydrophobicContact CD1-CG2 3.7Å; Y219-I234 HydrophobicContact CD2-CG2 3.95Å; Y219-I234 HydrophobicContact CE1-CD1 3.76Å; Y219-I234 HydrophobicContact CE1-CG1 4.03Å; Y219-I234 HydrophobicContact CE1-CG2 3.73Å; Y219-I234 HydrophobicContact CE2-CG2 3.98Å; Y219-I234 HydrophobicContact CG-CG2 3.8Å; Y219-K238 HydrophobicContact CD2-CB 4.17Å; Y219-K238 HydrophobicContact CE2-CB 3.97Å; Y219-F239 VanDerWaalsContact CB-CE1 3.46Å
220F94.7Very high89.1Confident83 Ų8377.2 Ų77.236%0.36437%0.365SS..EExtended strand (participates in β ladder)trans-89.8113.8178.1-64.6-74000111.3W199 M200 Y222 F240W199-F220 CarbonylContact O-C 3.38Å; M200-F220 HydrophobicContact CE-CD1 4.26Å; M200-F220 HydrophobicContact CE-CE1 3.37Å; M200-F220 HydrophobicContact CE-CZ 3.67Å; F220-Y222 HydrophobicContact CB-CE2 3.93Å; F220-F240 AromaticContact CD2-CE1 3.88Å; F220-F240 HydrophobicContact CD2-CE1 3.88Å; F220-F240 HydrophobicContact CD2-CZ 4.16Å; F220-F240 AromaticContact CE2-CE1 3.66Å; F220-F240 HydrophobicContact CE2-CE1 3.66Å; F220-F240 AromaticContact CE2-CZ 3.52Å; F220-F240 HydrophobicContact CE2-CZ 3.52Å; F220-F240 HydrophobicContact CZ-CZ 4.01Å
221L94.4Very high89.8Confident4 Ų475 Ų752%0.02136%0.355CS..EExtended strand (participates in β ladder)trans-92114.6172.2174.867.3000110.1V192 P198 W199 I201 T223 V232V192-L221 HydrophobicContact CG2-CD2 4.3Å; P198-L221 WeakPolarHBondContact CA-O 3.42Å; W199-L221 HydrophobicContact CB-CB 4.3Å; W199-L221 HydrophobicContact CB-CD2 4.39Å; W199-L221 PolarHBondContact N-O 3.5Å; W199-L221 WeakPolarHBondContact O-CA 3.26Å; W199-L221 WeakPolarHBondContact O-CB 3.27Å; W199-L221 PolarHBondContact O-N 3.2Å; I201-L221 HydrophobicContact CD1-CB 3.81Å; I201-L221 HydrophobicContact CD1-CD2 4.13Å; I201-L221 HydrophobicContact CD1-CG 4.39Å; I201-L221 HydrophobicContact CG1-CB 4.12Å; I201-L221 HydrophobicContact CG1-CD2 4.43Å; L221-T223 HydrophobicContact CD2-CG2 4.36Å; L221-T223 HydrophobicContact CG-CG2 4.33Å; L221-V232 HydrophobicContact CD1-CB 4.27Å; L221-V232 HydrophobicContact CD1-CG1 3.83Å; L221-V232 HydrophobicContact CD1-CG2 3.96Å
222Y92.8Very high90.4Very high157 Ų15768.1 Ų68.162%0.61632%0.324SS*.EExtended strand (participates in β ladder)trans-93.8114171.9-60.9-82.1000109.9P198 F220P198-Y222 HydrophobicContact CB-CD1 3.89Å; P198-Y222 HydrophobicContact CB-CE1 3.79Å; F220-Y222 HydrophobicContact CB-CE2 3.93Å
223T90.6Very high91Very high9 Ų970.6 Ų70.66%0.05533%0.334CS..  trans-84.5143.3174.9640000109.3G196 R197 L221 G225 L276G196-T223 WeakPolarHBondContact CA-O 2.99Å; G196-T223 VanDerWaalsContact CA-OG1 3.27Å; G196-T223 WeakPolarHBondContact CA-OG1 3.2Å; G196-T223 PolarHBondContact N-OG1 2.68Å; R197-T223 PolarHBondContact N-OG1 2.7Å; R197-T223 PolarHBondContact O-OG1 3.04Å; L221-T223 HydrophobicContact CD2-CG2 4.36Å; L221-T223 HydrophobicContact CG-CG2 4.33Å; T223-G225 VanDerWaalsContact C-N 3.28Å; T223-G225 PolarHBondContact O-N 2.88Å; T223-L276 HydrophobicContact CG2-CD1 4.25Å
224R85.8Confident91.7Very high212 Ų21265.8 Ų65.880%0.831%0.313SS*.  trans-74.5-16.9-177-71.1-168.4175.2120.2-0.8114.4
225G82.3Confident92.1Very high38 Ų3863.3 Ų63.339%0.39230%0.301SS..  trans71.6120.7-171.500000111.1G194 T223G194-G225 WeakPolarHBondContact O-CA 3.47Å; T223-G225 VanDerWaalsContact C-N 3.28Å; T223-G225 PolarHBondContact O-N 2.88Å
226G83.9Confident92.2Very high39 Ų3963.1 Ų63.140%0.40230%0.299SS..SBendtrans143.5-178.8174.800000114.4G194 Y228G194-G226 PolarHBondContact O-N 3.02Å; G226-Y228 PolarHBondContact O-N 2.99Å
227P86.9Confident92.2Very high90 Ų9061.5 Ų61.558%0.58429%0.292SS*.SBendtrans-77-9.9-174.431.5-35.8000113.8R193R193-P227 WeakPolarHBondContact CD-O 3.4Å; R193-P227 PolarHBondContact NH1-O 2.74Å
228Y90.8Very high92.1Very high195 Ų19565.1 Ų65.177%0.76531%0.308SS*.SBendtrans-88.5144.5-170.7-57-66000112.9G226G226-Y228 PolarHBondContact O-N 2.99Å
229W92.7Very high92.1Very high87 Ų8765 Ų6533%0.3331%0.307SS..  trans-73.8142.5170-69.499.3000110.8R191 R193 E277 D279R191-W229 HydrophobicContact CG-CE3 3.99Å; R193-W229 HydrophobicContact CB-CD2 4.01Å; R193-W229 HydrophobicContact CB-CE3 3.7Å; R193-W229 HydrophobicContact CB-CH2 4.37Å; R193-W229 HydrophobicContact CB-CZ3 3.89Å; W229-E277 HydrophobicContact CH2-CB 3.95Å; W229-E277 HydrophobicContact CZ3-CB 4.31Å; W229-D279 HydrophobicContact CE3-CB 4.25Å; W229-D279 HydrophobicContact CH2-CB 3.96Å; W229-D279 HydrophobicContact CZ3-CB 3.71Å
230Q93.9Very high92Very high35 Ų3562.9 Ų62.916%0.16430%0.299CS..EExtended strand (participates in β ladder)trans-124.4122.3177.5-176.8-177.7-7.300109.1V192 V232V192-Q230 PolarHBondContact N-O 3.02Å; V192-Q230 PolarHBondContact O-N 2.98Å; Q230-V232 HydrophobicContact CG-CG2 3.74Å
231D94.4Very high92Very high96 Ų9659.3 Ų59.351%0.51328%0.284SS..EExtended strand (participates in β ladder)trans-86.4125.3168.3-63.4-44.7000109.1L190 R191L190-D231 CarbonylContact O-C 3.51Å; L190-D231 WeakPolarHBondContact O-CA 3.07Å; R191-D231 VanDerWaalsContact CB-OD1 3.3Å; R191-D231 WeakPolarHBondContact CB-OD1 3Å; R191-D231 WeakPolarHBondContact CD-OD1 3.44Å; R191-D231 WeakPolarHBondContact CG-OD1 3.29Å; R191-D231 IonicContact NE-OD1 3.76Å
232V94.4Very high91.9Very high19 Ų1959.4 Ų59.412%0.11529%0.285CS..EExtended strand (participates in β ladder)trans-123.2122.7-176.3-169.70000108.5L190 V192 L221 Q230 I234L190-V232 PolarHBondContact N-O 2.88Å; L190-V232 PolarHBondContact O-N 2.8Å; V192-V232 HydrophobicContact CG2-CG2 3.98Å; L221-V232 HydrophobicContact CD1-CB 4.27Å; L221-V232 HydrophobicContact CD1-CG1 3.83Å; L221-V232 HydrophobicContact CD1-CG2 3.96Å; Q230-V232 HydrophobicContact CG-CG2 3.74Å; V232-I234 HydrophobicContact CG1-CD1 3.95Å; V232-I234 HydrophobicContact CG1-CG1 3.67Å
233K94.6Very high91.8Very high120 Ų12053.9 Ų53.952%0.52227%0.265SS..EExtended strand (participates in β ladder)trans-109.4121.2172.9-64.4-176.3-179.2-174.10108.9L188L188-K233 CarbonylContact O-C 3.57Å; L188-K233 WeakPolarHBondContact O-CA 3.4Å
234I95Very high91.7Very high1 Ų162 Ų621%0.00529%0.294CS..EExtended strand (participates in β ladder)trans-123.6111.2-174.8-51.3170.6000107.9T187 L188 L190 I201 Y219 V232 F239T187-I234 CarbonylContact C-O 3.48Å; T187-I234 WeakPolarHBondContact CA-O 3.46Å; L188-I234 HydrophobicContact CB-CB 4.47Å; L188-I234 PolarHBondContact N-O 2.92Å; L188-I234 PolarHBondContact O-N 3.1Å; L190-I234 HydrophobicContact CD1-CD1 4.09Å; I201-I234 HydrophobicContact CD1-CD1 3.29Å; Y219-I234 HydrophobicContact CD1-CD1 3.7Å; Y219-I234 HydrophobicContact CD1-CG1 4.33Å; Y219-I234 HydrophobicContact CD1-CG2 3.7Å; Y219-I234 HydrophobicContact CD2-CG2 3.95Å; Y219-I234 HydrophobicContact CE1-CD1 3.76Å; Y219-I234 HydrophobicContact CE1-CG1 4.03Å; Y219-I234 HydrophobicContact CE1-CG2 3.73Å; Y219-I234 HydrophobicContact CE2-CG2 3.98Å; Y219-I234 HydrophobicContact CG-CG2 3.8Å; V232-I234 HydrophobicContact CG1-CD1 3.95Å; V232-I234 HydrophobicContact CG1-CG1 3.67Å; I234-F239 HydrophobicContact CB-CE2 4.3Å; I234-F239 HydrophobicContact CG2-CD2 4.34Å; I234-F239 HydrophobicContact CG2-CE2 3.54Å; I234-F239 HydrophobicContact CG2-CZ 3.98Å
235P95.1Very high91.6Very high15 Ų1555.1 Ų55.110%0.09729%0.29CS..EExtended strand (participates in β ladder)trans-61.5139.7173.2-20.931.2000112.3T187 S237 K238T187-P235 HydrophobicContact CG2-CB 4.33Å; T187-P235 HydrophobicContact CG2-CG 4.29Å; P235-S237 PolarHBondContact O-N 3.44Å; P235-K238 HydrophobicContact CB-CG 4.44Å; P235-K238 HydrophobicContact CG-CD 4.37Å; P235-K238 PolarHBondContact O-N 3.14Å; P235-K238 VanDerWaalsContact O-N 3.16Å
236F94.5Very high92Very high11 Ų1162.7 Ų62.75%0.04831%0.307CS..G310 helixtrans-62.8-25.8176.6-66.2-56.5000112.7W182 F185 N186 L188 I203 K238 F239 L256 V283W182-F236 HydrophobicContact CD2-CZ 4.34Å; W182-F236 AromaticContact CE3-CE1 3.7Å; W182-F236 HydrophobicContact CE3-CE1 3.7Å; W182-F236 HydrophobicContact CE3-CE2 4.31Å; W182-F236 AromaticContact CE3-CZ 3.42Å; W182-F236 HydrophobicContact CE3-CZ 3.42Å; W182-F236 VanDerWaalsContact CE3-CZ 3.42Å; W182-F236 AromaticContact CZ3-CE1 3.88Å; W182-F236 HydrophobicContact CZ3-CE1 3.88Å; W182-F236 HydrophobicContact CZ3-CZ 4.02Å; F185-F236 HydrophobicContact CB-CE2 4.48Å; N186-F236 WeakPolarHBondContact O-CD2 3.46Å; N186-F236 PolarHBondContact O-N 3.12Å; L188-F236 HydrophobicContact CB-CE1 3.92Å; L188-F236 HydrophobicContact CB-CZ 4.22Å; L188-F236 HydrophobicContact CD1-CE1 4.45Å; I203-F236 HydrophobicContact CD1-CD1 4.01Å; I203-F236 HydrophobicContact CD1-CE1 3.86Å; F236-K238 PolarHBondContact O-N 3.44Å; F236-F239 HydrophobicContact CD1-CD2 4.36Å; F236-F239 HydrophobicContact CD1-CE2 4.12Å; F236-F239 PolarHBondContact O-N 3.12Å; F236-L256 HydrophobicContact CB-CD2 4.11Å; F236-L256 HydrophobicContact CD1-CD2 4.11Å; F236-L256 HydrophobicContact CD2-CD1 4.1Å; F236-L256 HydrophobicContact CD2-CD2 3.55Å; F236-L256 HydrophobicContact CE1-CD2 4.44Å; F236-L256 HydrophobicContact CE2-CD2 3.95Å; F236-L256 HydrophobicContact CG-CD2 3.66Å; F236-L256 HydrophobicContact CZ-CD2 4.38Å; F236-V283 HydrophobicContact CZ-CG1 3.96Å
237S93.1Very high92.4Very high6 Ų666 Ų664%0.04231%0.314CS..G310 helixtrans-61.5-21.4176.166.70000114.2P235 H289 E291 D292 A294P235-S237 PolarHBondContact O-N 3.44Å; S237-H289 PolarHBondContact OG-CE1 3.18Å; S237-H289 PolarHBondContact OG-NE2 2.78Å; S237-E291 WeakPolarHBondContact CB-O 3.04Å; S237-D292 WeakPolarHBondContact CB-O 3.44Å; S237-A294 WeakPolarHBondContact O-CB 3.02Å; S237-A294 PolarHBondContact O-N 3.23Å; S237-A294 VanDerWaalsContact O-N 3.16Å
238K93.8Very high92.5Very high84 Ų8465.2 Ų65.237%0.36530%0.302SS..G310 helixtrans-90.4-8.1-178.4-64.7-170.5178.4177.80113.8Y219 P235 F236 Y295Y219-K238 HydrophobicContact CD2-CB 4.17Å; Y219-K238 HydrophobicContact CE2-CB 3.97Å; P235-K238 HydrophobicContact CB-CG 4.44Å; P235-K238 HydrophobicContact CG-CD 4.37Å; P235-K238 PolarHBondContact O-N 3.14Å; P235-K238 VanDerWaalsContact O-N 3.16Å; F236-K238 PolarHBondContact O-N 3.44Å; K238-Y295 PolarHBondContact O-OH 3.05Å
239F95.1Very high92.3Very high0 Ų062.5 Ų62.50%030%0.301CS..PPolyproline II helixtrans-75.5135.2177.4-75.2-102.9000110.5L188 I201 I203 Y217 Y219 I234 F236 V254 Y295L188-F239 HydrophobicContact CD2-CZ 4.09Å; I201-F239 HydrophobicContact CB-CE1 4.39Å; I201-F239 HydrophobicContact CG2-CE1 4.07Å; I201-F239 HydrophobicContact CG2-CZ 4.36Å; I203-F239 HydrophobicContact CD1-CD1 3.91Å; I203-F239 HydrophobicContact CD1-CD2 4.48Å; I203-F239 HydrophobicContact CD1-CE1 3.48Å; I203-F239 VanDerWaalsContact CD1-CE1 3.48Å; I203-F239 HydrophobicContact CD1-CE2 4.08Å; I203-F239 HydrophobicContact CD1-CG 4.39Å; I203-F239 HydrophobicContact CD1-CZ 3.57Å; I203-F239 HydrophobicContact CG1-CD1 4.4Å; I203-F239 HydrophobicContact CG1-CE1 3.93Å; I203-F239 HydrophobicContact CG1-CZ 4.4Å; Y217-F239 HydrophobicContact CD1-CB 4.48Å; Y219-F239 VanDerWaalsContact CB-CE1 3.46Å; I234-F239 HydrophobicContact CB-CE2 4.3Å; I234-F239 HydrophobicContact CG2-CD2 4.34Å; I234-F239 HydrophobicContact CG2-CE2 3.54Å; I234-F239 HydrophobicContact CG2-CZ 3.98Å; F236-F239 HydrophobicContact CD1-CD2 4.36Å; F236-F239 HydrophobicContact CD1-CE2 4.12Å; F236-F239 PolarHBondContact O-N 3.12Å; F239-V254 HydrophobicContact CB-CG2 3.9Å; F239-Y295 WeakPolarHBondContact O-CE2 3.43Å
240F94.1Very high92.1Very high19 Ų1962.4 Ų62.48%0.08331%0.307CS..EExtended strand (participates in β ladder)trans-102.8146.5175.659.7-91.4000110.9Y217 S218 F220 A242 I247 Y295Y217-F240 CarbonylContact C-O 3.59Å; Y217-F240 WeakPolarHBondContact CA-O 3.44Å; S218-F240 PolarHBondContact N-O 2.88Å; S218-F240 WeakPolarHBondContact O-CD1 3.46Å; S218-F240 VanDerWaalsContact O-CE1 3.25Å; S218-F240 WeakPolarHBondContact O-CE1 3.34Å; S218-F240 PolarHBondContact O-N 3.1Å; F220-F240 AromaticContact CD2-CE1 3.88Å; F220-F240 HydrophobicContact CD2-CE1 3.88Å; F220-F240 HydrophobicContact CD2-CZ 4.16Å; F220-F240 AromaticContact CE2-CE1 3.66Å; F220-F240 HydrophobicContact CE2-CE1 3.66Å; F220-F240 AromaticContact CE2-CZ 3.52Å; F220-F240 HydrophobicContact CE2-CZ 3.52Å; F220-F240 HydrophobicContact CZ-CZ 4.01Å; F240-A242 HydrophobicContact CE2-CB 4.45Å; F240-I247 HydrophobicContact CD2-CD1 4.3Å; F240-I247 HydrophobicContact CD2-CG1 4.03Å; F240-I247 HydrophobicContact CD2-CG2 4.22Å; F240-I247 HydrophobicContact CE2-CD1 3.99Å; F240-I247 HydrophobicContact CE2-CG1 3.82Å; F240-Y295 HydrophobicContact CB-CE1 4.3Å; F240-Y295 HydrophobicContact CB-CE2 3.94Å
241L93.8Very high91.9Very high9 Ų961.5 Ų61.55%0.04730%0.303CS..EExtended strand (participates in β ladder)trans-76.8127.6176.2-178.863.4000110.8D215 Y217 Q248 Q251D215-L241 HydrophobicContact CB-CD1 3.94Å; Y217-L241 HydrophobicContact CD1-CB 4.3Å; Y217-L241 HydrophobicContact CD1-CD1 4.46Å; Y217-L241 HydrophobicContact CE1-CB 3.91Å; Y217-L241 HydrophobicContact CE1-CD1 4.03Å; Y217-L241 HydrophobicContact CE2-CD1 4.09Å; L241-Q248 HydrophobicContact CD2-CB 4.26Å; L241-Q248 HydrophobicContact CD2-CG 4.22Å; L241-Q248 HydrophobicContact CG-CB 4.34Å; L241-Q248 HydrophobicContact CG-CG 4.15Å; L241-Q248 PolarHBondContact O-N 3.42Å; L241-Q248 VanDerWaalsContact O-N 3.09Å; L241-Q251 PolarHBondContact O-NE2 3.1Å
242A92.8Very high91.6Very high5 Ų560.3 Ų60.34%0.04129%0.294CS..EExtended strand (participates in β ladder)trans-128.1140.3170.800000110.3M216 F240 R246M216-A242 HydrophobicContact CG-CB 4.22Å; M216-A242 WeakPolarHBondContact CG-O 3.26Å; M216-A242 PolarHBondContact N-O 3.23Å; M216-A242 PolarHBondContact O-N 3.43Å; M216-A242 VanDerWaalsContact O-O 3.05Å; F240-A242 HydrophobicContact CE2-CB 4.45Å; A242-R246 CarbonylContact C-O 3.6Å; A242-R246 VanDerWaalsContact CA-O 3.31Å; A242-R246 WeakPolarHBondContact CA-O 3.21Å
243H91.3Very high91.4Very high41 Ų4162.1 Ų62.119%0.1931%0.306CS..EExtended strand (participates in β ladder)trans-119.8123172.4179.9-104.1000108.8H211 D215 G245 R246 Q248H211-H243 PolarHBondContact O-NE2 2.85Å; D215-H243 IonicContact OD1-CD2 3.15Å; D215-H243 PolarHBondContact OD1-CD2 3.44Å; D215-H243 IonicContact OD1-CG 3.63Å; D215-H243 IonicContact OD1-NE2 2.79Å; H243-G245 PolarHBondContact O-N 3.43Å; H243-G245 VanDerWaalsContact O-N 3.1Å; H243-R246 PolarHBondContact N-O 3.45Å; H243-R246 PolarHBondContact O-N 3.43Å; H243-Q248 HydrophobicContact CB-CG 4.23Å
244R86.8Confident91.2Very high179 Ų17957.1 Ų57.168%0.67529%0.285SS*.THydrogen-bonded Turntrans49.938.4179-61.2179.9173.3-177.8-1.2114D214 R246D214-R244 HydrophobicContact CB-CG 3.81Å; D214-R244 IonicContact OD2-CZ 3.72Å; D214-R244 VanDerWaalsContact OD2-CZ 3.27Å; D214-R244 IonicContact OD2-NE 3.12Å; D214-R244 PolarHBondContact OD2-NE 2.85Å; D214-R244 IonicContact OD2-NH2 2.6Å; D214-R244 PolarHBondContact OD2-NH2 3.15Å; R244-R246 VanDerWaalsContact C-N 3.31Å; R244-R246 PolarHBondContact O-N 3.04Å
245G85.3Confident91Very high68 Ų6862.3 Ų62.370%0.70131%0.305SS*.THydrogen-bonded Turntrans78.97.3-179.800000115.1H243H243-G245 PolarHBondContact O-N 3.43Å; H243-G245 VanDerWaalsContact O-N 3.1Å
246R89.8Confident90.8Very high198 Ų19863 Ų6375%0.74731%0.308SS*.EExtended strand (participates in β ladder)trans-108.2125.7169.8-66.9-171.2-179.6142.60.8110.5A242 H243 R244 Q248A242-R246 CarbonylContact C-O 3.6Å; A242-R246 VanDerWaalsContact CA-O 3.31Å; A242-R246 WeakPolarHBondContact CA-O 3.21Å; H243-R246 PolarHBondContact N-O 3.45Å; H243-R246 PolarHBondContact O-N 3.43Å; R244-R246 VanDerWaalsContact C-N 3.31Å; R244-R246 PolarHBondContact O-N 3.04Å; R246-Q248 PolarHBondContact O-N 2.99Å; R246-Q248 PolarHBondContact O-NE2 3.17Å
247I92.1Very high90.6Very high108 Ų10867.4 Ų67.455%0.55433%0.332SS*.EExtended strand (participates in β ladder)trans-62.4131.6171.3-56.6176000107.7F240F240-I247 HydrophobicContact CD2-CD1 4.3Å; F240-I247 HydrophobicContact CD2-CG1 4.03Å; F240-I247 HydrophobicContact CD2-CG2 4.22Å; F240-I247 HydrophobicContact CE2-CD1 3.99Å; F240-I247 HydrophobicContact CE2-CG1 3.82Å
248Q90.1Very high90.4Very high73 Ų7372.4 Ų72.434%0.34135%0.353SS..  trans-83.1144.8177.1-64.5-55.1-64.200110.3L241 H243 R246 D250 Q251L241-Q248 HydrophobicContact CD2-CB 4.26Å; L241-Q248 HydrophobicContact CD2-CG 4.22Å; L241-Q248 HydrophobicContact CG-CB 4.34Å; L241-Q248 HydrophobicContact CG-CG 4.15Å; L241-Q248 PolarHBondContact O-N 3.42Å; L241-Q248 VanDerWaalsContact O-N 3.09Å; H243-Q248 HydrophobicContact CB-CG 4.23Å; R246-Q248 PolarHBondContact O-N 2.99Å; R246-Q248 PolarHBondContact O-NE2 3.17Å; Q248-D250 VanDerWaalsContact C-N 3.34Å; Q248-Q251 PolarHBondContact O-NE2 2.79Å
249D86.8Confident90.4Very high138 Ų13868.4 Ų68.474%0.73834%0.335SS*.SBendtrans-70.7-36.7174.2-59.2-25.2000111.1Q251 R300D249-Q251 PolarHBondContact O-N 3.35Å; D249-R300 IonicContact OD2-NH2 2.71Å; D249-R300 PolarHBondContact OD2-NH2 3.07Å
250D87.3Confident90.2Very high86 Ų8668.9 Ų68.946%0.4634%0.338SS..SBendtrans-8997.9-179.3-16612.7000110.3Q248 H252Q248-D250 VanDerWaalsContact C-N 3.34Å; D250-H252 PolarHBondContact O-ND1 3.25Å; D250-H252 IonicContact OD1-CE1 3.52Å; D250-H252 IonicContact OD1-NE2 3.49Å; D250-H252 IonicContact OD2-CE1 3.25Å; D250-H252 PolarHBondContact OD2-CE1 3.25Å; D250-H252 VanDerWaalsContact OD2-CE1 3.27Å; D250-H252 IonicContact OD2-NE2 3.21Å
251Q90.1Very high90.2Very high15 Ų1568.4 Ų68.47%0.0734%0.337CS..  trans-92131.4-171.4-73.8-65.9-25.400110.5L241 Q248 D249 F293L241-Q251 PolarHBondContact O-NE2 3.1Å; Q248-Q251 PolarHBondContact O-NE2 2.79Å; D249-Q251 PolarHBondContact O-N 3.35Å; Q251-F293 VanDerWaalsContact C-CZ 3.42Å; Q251-F293 HydrophobicContact CB-CE1 3.94Å; Q251-F293 HydrophobicContact CB-CZ 3.67Å; Q251-F293 WeakPolarHBondContact O-CE1 3.25Å
252H88.4Confident90.3Very high72 Ų7268 Ų6833%0.33334%0.335SS..  trans-125.9151.8-175.7-64.286.1000110.7Y217 D250 F293Y217-H252 VanDerWaalsContact CE1-O 3.25Å; Y217-H252 WeakPolarHBondContact CE1-O 3.07Å; D250-H252 PolarHBondContact O-ND1 3.25Å; D250-H252 IonicContact OD1-CE1 3.52Å; D250-H252 IonicContact OD1-NE2 3.49Å; D250-H252 IonicContact OD2-CE1 3.25Å; D250-H252 PolarHBondContact OD2-CE1 3.25Å; D250-H252 VanDerWaalsContact OD2-CE1 3.27Å; D250-H252 IonicContact OD2-NE2 3.21Å; H252-F293 VanDerWaalsContact C-CZ 3.49Å; H252-F293 WeakPolarHBondContact O-CE2 3.38Å; H252-F293 WeakPolarHBondContact O-CZ 3.33Å
253P89.8Confident90.4Very high57 Ų5767.8 Ų67.837%0.3733%0.334SS..  trans-67.9149.8172.828.9-34.5000111.1Y217 W255 F293Y217-P253 PolarHBondContact OH-O 3.44Å; P253-W255 PolarHBondContact O-N 2.84Å; P253-F293 HydrophobicContact CB-CD2 3.98Å; P253-F293 HydrophobicContact CB-CE2 4.41Å
254V90.7Very high90.6Very high14 Ų1465.9 Ų65.99%0.08533%0.325CS..  trans-60.6134.1177.6-171.70000110.1I203 Y217 F239 L256I203-V254 HydrophobicContact CG2-CG1 4.44Å; Y217-V254 HydrophobicContact CD1-CB 4.43Å; Y217-V254 HydrophobicContact CD1-CG2 3.63Å; Y217-V254 HydrophobicContact CD2-CB 4.47Å; Y217-V254 HydrophobicContact CD2-CG1 4.05Å; Y217-V254 HydrophobicContact CD2-CG2 4.31Å; Y217-V254 HydrophobicContact CE1-CG2 4.11Å; Y217-V254 HydrophobicContact CE2-CG1 4.42Å; Y217-V254 HydrophobicContact CG-CB 4.35Å; Y217-V254 HydrophobicContact CG-CG1 4.22Å; Y217-V254 HydrophobicContact CG-CG2 3.72Å; F239-V254 HydrophobicContact CB-CG2 3.9Å; V254-L256 HydrophobicContact CB-CD2 4.19Å; V254-L256 HydrophobicContact CG1-CD2 4.07Å; V254-L256 PolarHBondContact O-N 2.99Å; V254-L256 VanDerWaalsContact O-N 3.15Å
255W89.8Confident91Very high110 Ų11058.6 Ų58.642%0.41730%0.3SS..  trans-79.697171.7-64.4-12.3000110.5P205 T207 P253 D257 I259P205-W255 HydrophobicContact CB-CB 4.41Å; T207-W255 HydrophobicContact CG2-CH2 3.87Å; T207-W255 HydrophobicContact CG2-CZ3 3.67Å; P253-W255 PolarHBondContact O-N 2.84Å; W255-D257 VanDerWaalsContact C-N 3.33Å; W255-D257 PolarHBondContact O-N 2.99Å; W255-I259 WeakPolarHBondContact O-CG1 3.25Å
256L91.2Very high91.4Very high31 Ų3155.3 Ų55.316%0.16227%0.267CS..G310 helixtrans-71.6-26.8-175.1-60.4178.3000113.3W182 F236 V254 K258 I259W182-L256 HydrophobicContact CB-CB 4.23Å; W182-L256 HydrophobicContact CB-CD2 4.44Å; W182-L256 PolarHBondContact N-O 2.8Å; F236-L256 HydrophobicContact CB-CD2 4.11Å; F236-L256 HydrophobicContact CD1-CD2 4.11Å; F236-L256 HydrophobicContact CD2-CD1 4.1Å; F236-L256 HydrophobicContact CD2-CD2 3.55Å; F236-L256 HydrophobicContact CE1-CD2 4.44Å; F236-L256 HydrophobicContact CE2-CD2 3.95Å; F236-L256 HydrophobicContact CG-CD2 3.66Å; F236-L256 HydrophobicContact CZ-CD2 4.38Å; V254-L256 HydrophobicContact CB-CD2 4.19Å; V254-L256 HydrophobicContact CG1-CD2 4.07Å; V254-L256 PolarHBondContact O-N 2.99Å; V254-L256 VanDerWaalsContact O-N 3.15Å; L256-K258 VanDerWaalsContact C-N 3.29Å; L256-K258 PolarHBondContact O-N 3.15Å; L256-I259 HydrophobicContact CD2-CD1 4.14Å
257D90.4Very high91.5Very high103 Ų10348.3 Ų48.355%0.55126%0.256SS*.G310 helixtrans-67.7-27.4-176.1-51.1-2.8000113.6S183 W255S183-D257 WeakPolarHBondContact CB-OD1 3.33Å; W255-D257 VanDerWaalsContact C-N 3.33Å; W255-D257 PolarHBondContact O-N 2.99Å
258K89.8Confident91.3Very high110 Ų11045.3 Ų45.348%0.47824%0.241SC..G310 helixtrans-134.965.7-168.5-66.2-178.3-173169.40112.4Y179 P205 E206 L256Y179-K258 HydrophobicContact CD2-CG 4.37Å; Y179-K258 HydrophobicContact CG-CB 4.28Å; Y179-K258 HydrophobicContact CG-CG 4.45Å; P205-K258 CarbonylContact C-O 3.6Å; P205-K258 VanDerWaalsContact CA-O 3.3Å; P205-K258 WeakPolarHBondContact CA-O 3.31Å; E206-K258 HydrophobicContact CB-CB 4.42Å; E206-K258 PolarHBondContact N-O 2.97Å; L256-K258 VanDerWaalsContact C-N 3.29Å; L256-K258 PolarHBondContact O-N 3.15Å
259I92.6Very high91.3Very high0 Ų049 Ų490%026%0.256CS..EExtended strand (participates in β ladder)trans-92.4127.9179.6-62.9175.5000110.8H180 W182 I203 W255 L256H180-I259 HydrophobicContact CB-CB 4.35Å; H180-I259 PolarHBondContact N-O 2.9Å; H180-I259 PolarHBondContact O-N 3.06Å; W182-I259 HydrophobicContact CB-CD1 4.26Å; W182-I259 HydrophobicContact CD2-CD1 3.45Å; W182-I259 VanDerWaalsContact CD2-CD1 3.45Å; W182-I259 HydrophobicContact CE3-CD1 3.02Å; W182-I259 HydrophobicContact CE3-CG1 4.34Å; W182-I259 HydrophobicContact CG-CD1 4.04Å; W182-I259 HydrophobicContact CH2-CB 4.26Å; W182-I259 HydrophobicContact CH2-CD1 3.94Å; W182-I259 HydrophobicContact CH2-CG2 3.49Å; W182-I259 VanDerWaalsContact CH2-CG2 3.49Å; W182-I259 HydrophobicContact CZ2-CB 4.29Å; W182-I259 HydrophobicContact CZ2-CD1 4.36Å; W182-I259 HydrophobicContact CZ2-CG2 3.81Å; W182-I259 HydrophobicContact CZ3-CB 4.5Å; W182-I259 HydrophobicContact CZ3-CD1 3.32Å; W182-I259 HydrophobicContact CZ3-CG1 4.42Å; W182-I259 HydrophobicContact CZ3-CG2 3.98Å; I203-I259 HydrophobicContact CG2-CD1 4.16Å; I203-I259 HydrophobicContact CG2-CG1 4.37Å; I203-I259 HydrophobicContact CG2-CG2 3.79Å; W255-I259 WeakPolarHBondContact O-CG1 3.25Å; L256-I259 HydrophobicContact CD2-CD1 4.14Å
260N92.4Very high91.5Very high11 Ų1144.6 Ų44.66%0.05924%0.239CC..EExtended strand (participates in β ladder)trans-86.3-53.8-179.9-74.7-27.3000112.1Q169 Y179 V204 E206Q169-N260 HydrophobicContact CG-CB 4.37Å; Q169-N260 PolarHBondContact NE2-OD1 2.96Å; Y179-N260 WeakPolarHBondContact CD1-OD1 3.29Å; Y179-N260 WeakPolarHBondContact CE1-OD1 3.45Å; V204-N260 WeakPolarHBondContact O-CA 3.35Å; V204-N260 VanDerWaalsContact O-CB 3.24Å; V204-N260 WeakPolarHBondContact O-CB 3.43Å; V204-N260 PolarHBondContact O-N 3.45Å; E206-N260 WeakPolarHBondContact CA-ND2 3.32Å; E206-N260 PolarHBondContact N-ND2 3.06Å; E206-N260 PolarHBondContact OE2-ND2 3.43Å; E206-N260 PolarHBondContact OE2-OD1 3.13Å
261S92.9Very high91.7Very high8 Ų844.8 Ų44.86%0.05624%0.24CC..EExtended strand (participates in β ladder)trans-156.8153.8-170.960.30000112.1S167 V204S167-S261 WeakPolarHBondContact O-CB 3.24Å; S167-S261 WeakPolarHBondContact OG-CA 3.39Å; S167-S261 WeakPolarHBondContact OG-CB 3.48Å; V204-S261 PolarHBondContact N-O 3.11Å; V204-S261 PolarHBondContact O-N 3.36Å
262I95.3Very high91.9Very high0 Ų044.9 Ų44.90%025%0.245CC..EExtended strand (participates in β ladder)trans-107.9144.9165.6-59.6-173.7000108.1W105 R166 S167 W182 L188 I201 N202 I203 F264 I281W105-I262 HydrophobicContact CE3-CD1 4.34Å; W105-I262 HydrophobicContact CH2-CB 4.34Å; W105-I262 HydrophobicContact CH2-CD1 3.67Å; W105-I262 HydrophobicContact CH2-CG1 3.72Å; W105-I262 HydrophobicContact CZ3-CD1 3.32Å; W105-I262 HydrophobicContact CZ3-CG1 3.92Å; R166-I262 CarbonylContact C-O 3.51Å; R166-I262 WeakPolarHBondContact CA-O 2.94Å; S167-I262 PolarHBondContact N-O 3.23Å; S167-I262 PolarHBondContact OG-N 2.71Å; S167-I262 PolarHBondContact OG-O 2.99Å; W182-I262 HydrophobicContact CH2-CD1 3.35Å; W182-I262 HydrophobicContact CH2-CG1 3.52Å; W182-I262 HydrophobicContact CZ2-CD1 4.06Å; W182-I262 HydrophobicContact CZ2-CG1 4.31Å; W182-I262 HydrophobicContact CZ3-CD1 4.1Å; W182-I262 HydrophobicContact CZ3-CG1 4.42Å; L188-I262 HydrophobicContact CD1-CD1 3.88Å; I201-I262 HydrophobicContact CG2-CG2 4.22Å; N202-I262 CarbonylContact O-C 3.6Å; N202-I262 VanDerWaalsContact O-CA 3.3Å; N202-I262 WeakPolarHBondContact O-CA 3.49Å; I203-I262 HydrophobicContact CG1-CG1 4.41Å; I262-F264 HydrophobicContact CG2-CE2 4.41Å; I262-I281 HydrophobicContact CD1-CG2 3.99Å
263G95.1Very high92.2Very high2 Ų246.6 Ų46.62%0.02126%0.262CS..EExtended strand (participates in β ladder)trans-136.5161.3168.700000112.9M165 I201 N202M165-G263 CarbonylContact O-C 3.54Å; M165-G263 WeakPolarHBondContact O-CA 3.41Å; I201-G263 CarbonylContact C-O 3.59Å; I201-G263 WeakPolarHBondContact CA-O 3.07Å; N202-G263 PolarHBondContact N-O 2.8Å; N202-G263 PolarHBondContact O-N 3.23Å
264F95.7Very high92.3Very high0 Ų044.2 Ų44.20%025%0.246CC..EExtended strand (participates in β ladder)trans-116.9128.2169.4-60.5-92.1000107.1W116 T164 M165 L190 W199 M200 I201 I262 L276 I278 I281W116-F264 HydrophobicContact CH2-CE2 4.32Å; W116-F264 HydrophobicContact CZ3-CD2 4.44Å; W116-F264 HydrophobicContact CZ3-CE2 4.35Å; T164-F264 CarbonylContact C-O 3.58Å; T164-F264 VanDerWaalsContact CA-O 3.29Å; T164-F264 WeakPolarHBondContact CA-O 3.19Å; T164-F264 PolarHBondContact OG1-O 2.8Å; M165-F264 HydrophobicContact CE-CD2 3.5Å; M165-F264 VanDerWaalsContact CE-CD2 3.5Å; M165-F264 HydrophobicContact CE-CE2 4.01Å; M165-F264 HydrophobicContact CE-CG 4.41Å; M165-F264 PolarHBondContact N-O 3.46Å; M165-F264 PolarHBondContact O-N 3.18Å; L190-F264 HydrophobicContact CD1-CE1 4.26Å; L190-F264 HydrophobicContact CD2-CZ 4.15Å; W199-F264 HydrophobicContact CE3-CB 4.01Å; W199-F264 HydrophobicContact CZ3-CB 4.28Å; M200-F264 CarbonylContact O-C 3.42Å; M200-F264 WeakPolarHBondContact O-CA 3.38Å; I201-F264 HydrophobicContact CD1-CE1 4.48Å; I201-F264 HydrophobicContact CG1-CD1 3.96Å; I201-F264 HydrophobicContact CG1-CE1 3.85Å; I262-F264 HydrophobicContact CG2-CE2 4.41Å; F264-L276 HydrophobicContact CB-CD2 4.35Å; F264-L276 HydrophobicContact CD1-CD2 4.19Å; F264-L276 HydrophobicContact CG-CD2 4.32Å; F264-I278 HydrophobicContact CD2-CD1 3.87Å; F264-I278 HydrophobicContact CE1-CD1 4.4Å; F264-I278 HydrophobicContact CE2-CD1 3.66Å; F264-I278 HydrophobicContact CG-CD1 4.33Å; F264-I278 HydrophobicContact CZ-CD1 3.94Å; F264-I281 HydrophobicContact CE2-CD1 3.62Å; F264-I281 HydrophobicContact CZ-CD1 3.85Å; F264-I281 HydrophobicContact CZ-CG1 4.37Å
265T94.8Very high92.5Very high26 Ų2647.8 Ų47.816%0.1626%0.262CS..EExtended strand (participates in β ladder)trans-127.8129.9-178.6-550000109.1C163 T164 M200 N202C163-T265 CarbonylContact O-C 3.56Å; C163-T265 WeakPolarHBondContact O-CA 3.29Å; T164-T265 PolarHBondContact OG1-OG1 3.32Å; M200-T265 WeakPolarHBondContact CB-O 3.39Å; M200-T265 PolarHBondContact N-O 2.88Å; M200-T265 PolarHBondContact O-N 2.91Å; N202-T265 WeakPolarHBondContact ND2-CB 3.32Å; N202-T265 PolarHBondContact ND2-OG1 2.72Å
266L94.5Very high92.7Very high0 Ų042.5 Ų42.50%024%0.242CC..EExtended strand (participates in β ladder)trans-105.3131.8170.5-175.269.5000108.4L147 Y162 C163 R197 P198 W199 F274L147-L266 HydrophobicContact CD2-CD2 4.21Å; L147-L266 HydrophobicContact CD2-CG 4.18Å; Y162-L266 WeakPolarHBondContact CA-O 3.31Å; C163-L266 HydrophobicContact CB-CB 4.48Å; C163-L266 PolarHBondContact N-O 3.23Å; C163-L266 PolarHBondContact O-N 2.9Å; R197-L266 HydrophobicContact CB-CD1 4.18Å; P198-L266 WeakPolarHBondContact O-CD1 3.43Å; W199-L266 HydrophobicContact CD2-CB 4.3Å; W199-L266 HydrophobicContact CD2-CD1 4.28Å; W199-L266 HydrophobicContact CE3-CB 3.92Å; W199-L266 HydrophobicContact CH2-CB 3.82Å; W199-L266 HydrophobicContact CH2-CD2 4.28Å; W199-L266 HydrophobicContact CZ2-CB 4.19Å; W199-L266 HydrophobicContact CZ2-CD1 4.44Å; W199-L266 HydrophobicContact CZ2-CD2 4.09Å; W199-L266 HydrophobicContact CZ2-CG 4.48Å; W199-L266 HydrophobicContact CZ3-CB 3.68Å; L266-F274 HydrophobicContact CD2-CB 3.6Å; L266-F274 HydrophobicContact CD2-CD1 3.46Å; L266-F274 VanDerWaalsContact CD2-CD1 3.46Å; L266-F274 HydrophobicContact CD2-CD2 3.94Å; L266-F274 HydrophobicContact CD2-CE1 4.07Å; L266-F274 HydrophobicContact CD2-CE2 4.48Å; L266-F274 HydrophobicContact CD2-CG 3.38Å
267G90.9Very high92.8Very high51 Ų5141.7 Ų41.753%0.52624%0.237SC..  trans-165.844.3-17700000111.6K269G267-K269 VanDerWaalsContact C-N 3.29Å
268D89.3Confident93Very high45 Ų4536.8 Ų36.824%0.24121%0.211CC..  trans-84.41-175.765.9-5.8000113.7L147 R197 P198 A270L147-D268 VanDerWaalsContact CD2-OD1 3.26Å; L147-D268 WeakPolarHBondContact CD2-OD1 3.47Å; R197-D268 IonicContact CZ-OD1 3.44Å; R197-D268 IonicContact CZ-OD2 3.74Å; R197-D268 VanDerWaalsContact CZ-OD2 3.31Å; R197-D268 IonicContact NE-OD2 2.68Å; R197-D268 PolarHBondContact NE-OD2 3.41Å; R197-D268 IonicContact NH2-OD1 3.92Å; R197-D268 PolarHBondContact NH2-OD1 3.27Å; R197-D268 IonicContact NH2-OD2 2.88Å; R197-D268 PolarHBondContact NH2-OD2 3.47Å; P198-D268 HydrophobicContact CG-CB 3.85Å; D268-A270 PolarHBondContact O-N 2.83Å; D268-A270 PolarHBondContact OD1-N 3.28Å
269K89.1Confident93.1Very high150 Ų15033 Ų3365%0.65220%0.196SC*.  trans56.313-174-59.4-179.1178.2179.20114.8S149 G267S149-K269 WeakPolarHBondContact OG-CA 3.19Å; G267-K269 VanDerWaalsContact C-N 3.29Å
270A91Very high93.2Very high45 Ų4534.9 Ų34.937%0.37220%0.204SC..  trans-87.8121.3172.700000107.8R197 D268R197-A270 PolarHBondContact NH2-O 2.8Å; D268-A270 PolarHBondContact O-N 2.83Å; D268-A270 PolarHBondContact OD1-N 3.28Å
271D93.1Very high93.3Very high91 Ų9134.3 Ų34.349%0.48720%0.201SC..  trans-81.6137.6179.5-68.2-19.1000110.1L147 C148 S149L147-D271 WeakPolarHBondContact O-CA 3.26Å; C148-D271 WeakPolarHBondContact CA-OD1 3.49Å; S149-D271 VanDerWaalsContact CB-OD1 3.26Å; S149-D271 WeakPolarHBondContact CB-OD1 3.1Å; S149-D271 PolarHBondContact N-OD1 2.89Å; S149-D271 PolarHBondContact OG-OD1 3.01Å
272G92.8Very high93.4Very high17 Ų1734 Ų3418%0.17520%0.2CC..EExtended strand (participates in β ladder)trans145.8177.1178.200000114.8L147 R197L147-G272 PolarHBondContact N-O 3.3Å; L147-G272 PolarHBondContact O-N 2.66Å; R197-G272 PolarHBondContact NH1-O 2.91Å
273P94.3Very high93.4Very high107 Ų10734.1 Ų34.170%0.69520%0.2SC*.EExtended strand (participates in β ladder)trans-64.2147.6177.129.2-34.7000110.4G145 R197G145-P273 CarbonylContact O-C 3.52Å; G145-P273 VanDerWaalsContact O-CA 3.26Å; G145-P273 WeakPolarHBondContact O-CA 3.36Å; R197-P273 PolarHBondContact NH1-O 3.15Å; R197-P273 VanDerWaalsContact NH1-O 3.12Å
274F93.8Very high93.3Very high7 Ų734.3 Ų34.33%0.03120%0.201CC..EExtended strand (participates in β ladder)trans-134153.7170.563.2-94000110.7I130 L143 Y144 G145 L147 C163 D195 W199 L266I130-F274 HydrophobicContact CB-CZ 4.28Å; I130-F274 HydrophobicContact CD1-CE2 4.36Å; I130-F274 HydrophobicContact CD1-CZ 4.12Å; I130-F274 HydrophobicContact CG1-CE2 4.3Å; I130-F274 HydrophobicContact CG1-CZ 3.98Å; L143-F274 HydrophobicContact CG-CE2 4.36Å; Y144-F274 VanDerWaalsContact CA-O 3.28Å; Y144-F274 WeakPolarHBondContact CA-O 3.38Å; G145-F274 PolarHBondContact N-O 3.49Å; G145-F274 VanDerWaalsContact N-O 3.15Å; G145-F274 PolarHBondContact O-N 3.39Å; L147-F274 HydrophobicContact CB-CD1 4.09Å; L147-F274 HydrophobicContact CB-CE1 4.27Å; C163-F274 HydrophobicContact CB-CE1 4.01Å; C163-F274 HydrophobicContact CB-CE2 4.48Å; C163-F274 HydrophobicContact CB-CZ 3.64Å; D195-F274 WeakPolarHBondContact OD2-CA 3.26Å; D195-F274 WeakPolarHBondContact OD2-CB 3.29Å; W199-F274 AromaticContact CH2-CD2 3.69Å; W199-F274 HydrophobicContact CH2-CD2 3.69Å; W199-F274 AromaticContact CH2-CE2 3.82Å; W199-F274 HydrophobicContact CH2-CE2 3.82Å; W199-F274 HydrophobicContact CZ2-CB 4.48Å; W199-F274 AromaticContact CZ2-CD2 3.63Å; W199-F274 HydrophobicContact CZ2-CD2 3.63Å; W199-F274 HydrophobicContact CZ2-CE2 4.24Å; W199-F274 HydrophobicContact CZ2-CG 4.33Å; L266-F274 HydrophobicContact CD2-CB 3.6Å; L266-F274 HydrophobicContact CD2-CD1 3.46Å; L266-F274 VanDerWaalsContact CD2-CD1 3.46Å; L266-F274 HydrophobicContact CD2-CD2 3.94Å; L266-F274 HydrophobicContact CD2-CE1 4.07Å; L266-F274 HydrophobicContact CD2-CE2 4.48Å; L266-F274 HydrophobicContact CD2-CG 3.38Å
275Q93.6Very high93.1Very high89 Ų8937.5 Ų37.542%0.41622%0.215SC..EExtended strand (participates in β ladder)trans-145.6125177.3-176.9171.6-11.400110.4L142 L143 D195 E277L142-Q275 HydrophobicContact CD1-CG 3.52Å; L142-Q275 VanDerWaalsContact CD1-NE2 3.27Å; L143-Q275 CarbonylContact O-C 3.59Å; L143-Q275 WeakPolarHBondContact O-CA 3.37Å; D195-Q275 WeakPolarHBondContact CB-O 3.46Å; D195-Q275 VanDerWaalsContact CG-O 3.28Å; D195-Q275 PolarHBondContact N-O 3.41Å; D195-Q275 PolarHBondContact OD2-N 3.45Å; Q275-E277 PolarHBondContact NE2-OE1 3.43Å
276L93.8Very high92.9Very high0 Ų038.9 Ų38.90%022%0.221CC..EExtended strand (participates in β ladder)trans-130.4122.6172.1-178.171000108.9L143 V192 W199 T223 F264 I278L143-L276 WeakPolarHBondContact CA-O 3.44Å; L143-L276 HydrophobicContact CB-CB 4.4Å; L143-L276 WeakPolarHBondContact CB-O 3.45Å; L143-L276 PolarHBondContact N-O 3.17Å; L143-L276 PolarHBondContact O-N 2.92Å; V192-L276 HydrophobicContact CB-CD1 4.47Å; W199-L276 HydrophobicContact CD2-CB 4.47Å; W199-L276 HydrophobicContact CD2-CD2 3.75Å; W199-L276 HydrophobicContact CE3-CD2 3.88Å; W199-L276 HydrophobicContact CG-CD2 4.24Å; W199-L276 HydrophobicContact CH2-CB 4.14Å; W199-L276 HydrophobicContact CH2-CD2 4.31Å; W199-L276 HydrophobicContact CZ2-CB 3.58Å; W199-L276 HydrophobicContact CZ2-CD2 4.21Å; W199-L276 HydrophobicContact CZ2-CG 4.45Å; W199-L276 HydrophobicContact CZ3-CD2 4.15Å; T223-L276 HydrophobicContact CG2-CD1 4.25Å; F264-L276 HydrophobicContact CB-CD2 4.35Å; F264-L276 HydrophobicContact CD1-CD2 4.19Å; F264-L276 HydrophobicContact CG-CD2 4.32Å; L276-I278 HydrophobicContact CD2-CD1 4.03Å; L276-I278 HydrophobicContact CD2-CG1 4.19Å; L276-I278 HydrophobicContact CG-CD1 4.47Å; L276-I278 HydrophobicContact CG-CG1 4.14Å
277E93.6Very high92.6Very high13 Ų1346.1 Ų46.16%0.06125%0.25CC..EExtended strand (participates in β ladder)trans-107.6135.5171.6-72.2-177.1-140.100110.6C141 L142 V192 R193 W229 Q275C141-E277 CarbonylContact O-C 3.59Å; C141-E277 VanDerWaalsContact O-CA 3.25Å; C141-E277 WeakPolarHBondContact O-CA 3.28Å; L142-E277 HydrophobicContact CB-CG 4.16Å; L142-E277 HydrophobicContact CD1-CG 3.31Å; L142-E277 HydrophobicContact CG-CG 4.31Å; V192-E277 CarbonylContact C-O 3.55Å; V192-E277 VanDerWaalsContact CA-O 3.29Å; V192-E277 WeakPolarHBondContact CA-O 3.1Å; R193-E277 HydrophobicContact CB-CB 4.15Å; R193-E277 IonicContact CZ-OE1 3.81Å; R193-E277 IonicContact CZ-OE2 3.67Å; R193-E277 PolarHBondContact N-O 2.77Å; R193-E277 IonicContact NE-OE1 3.63Å; R193-E277 IonicContact NE-OE2 2.54Å; R193-E277 PolarHBondContact NE-OE2 2.69Å; R193-E277 IonicContact NH2-OE1 3.42Å; R193-E277 PolarHBondContact NH2-OE1 3.47Å; R193-E277 IonicContact NH2-OE2 2.76Å; R193-E277 PolarHBondContact NH2-OE2 2.75Å; R193-E277 PolarHBondContact O-N 2.81Å; W229-E277 HydrophobicContact CH2-CB 3.95Å; W229-E277 HydrophobicContact CZ3-CB 4.31Å; Q275-E277 PolarHBondContact NE2-OE1 3.43Å
278I94Very high92.4Very high1 Ų147.8 Ų47.81%0.00526%0.258CS..EExtended strand (participates in β ladder)trans-127.1125.7-178.9-53164000107.4F107 S140 C141 M165 V192 F264 L276 I281F107-I278 HydrophobicContact CD2-CB 4.46Å; F107-I278 HydrophobicContact CD2-CG2 4.27Å; F107-I278 WeakPolarHBondContact CD2-O 3.4Å; F107-I278 HydrophobicContact CE2-CB 3.96Å; F107-I278 HydrophobicContact CE2-CG2 3.61Å; F107-I278 HydrophobicContact CZ-CG2 4.48Å; S140-I278 CarbonylContact C-O 3.56Å; S140-I278 WeakPolarHBondContact CA-O 3.49Å; S140-I278 WeakPolarHBondContact CB-O 3.46Å; C141-I278 PolarHBondContact N-O 3.09Å; C141-I278 PolarHBondContact O-N 3.07Å; M165-I278 HydrophobicContact CE-CD1 3.48Å; M165-I278 VanDerWaalsContact CE-CD1 3.48Å; V192-I278 HydrophobicContact CG1-CG1 4.15Å; V192-I278 HydrophobicContact CG1-CG2 4.35Å; F264-I278 HydrophobicContact CD2-CD1 3.87Å; F264-I278 HydrophobicContact CE1-CD1 4.4Å; F264-I278 HydrophobicContact CE2-CD1 3.66Å; F264-I278 HydrophobicContact CG-CD1 4.33Å; F264-I278 HydrophobicContact CZ-CD1 3.94Å; L276-I278 HydrophobicContact CD2-CD1 4.03Å; L276-I278 HydrophobicContact CD2-CG1 4.19Å; L276-I278 HydrophobicContact CG-CD1 4.47Å; L276-I278 HydrophobicContact CG-CG1 4.14Å; I278-I281 HydrophobicContact CG2-CD1 4.25Å; I278-I281 HydrophobicContact CG2-CG1 3.82Å
279D93.1Very high92.3Very high31 Ų3147 Ų4717%0.16625%0.253CS..EExtended strand (participates in β ladder)trans-88.1-55.7177.9-174.428000110.3F107 R191 W229F107-D279 WeakPolarHBondContact CD2-O 3.37Å; R191-D279 HydrophobicContact CB-CB 4.11Å; R191-D279 WeakPolarHBondContact CD-OD2 3.35Å; R191-D279 HydrophobicContact CG-CB 3.97Å; R191-D279 IonicContact CZ-OD2 3.27Å; R191-D279 IonicContact NE-OD2 3.38Å; R191-D279 IonicContact NH1-OD2 3.54Å; R191-D279 PolarHBondContact NH1-OD2 3.4Å; R191-D279 PolarHBondContact O-N 2.85Å; W229-D279 HydrophobicContact CE3-CB 4.25Å; W229-D279 HydrophobicContact CH2-CB 3.96Å; W229-D279 HydrophobicContact CZ3-CB 3.71Å
280F93.8Very high92.1Very high38 Ų3845.4 Ų45.417%0.16726%0.256CS..EExtended strand (participates in β ladder)trans-147.8160.9174.469.9-95.9000112V103 W105 H189 R191V103-F280 HydrophobicContact CG1-CB 3.88Å; V103-F280 HydrophobicContact CG1-CD2 4.19Å; V103-F280 HydrophobicContact CG1-CG 4.32Å; V103-F280 HydrophobicContact CG2-CD2 4.48Å; W105-F280 WeakPolarHBondContact O-CA 3.23Å; H189-F280 AromaticContact CE1-CE2 3.87Å; H189-F280 AromaticContact CE1-CZ 3.64Å; H189-F280 AromaticContact ND1-CE2 3.66Å; H189-F280 AromaticContact ND1-CZ 3.92Å; R191-F280 HydrophobicContact CB-CD1 3.76Å; R191-F280 HydrophobicContact CB-CE1 3.4Å; R191-F280 HydrophobicContact CB-CE2 4.42Å; R191-F280 HydrophobicContact CB-CG 4.43Å; R191-F280 HydrophobicContact CB-CZ 3.75Å; R191-F280 HydrophobicContact CG-CE1 4.13Å; R191-F280 PolarHBondContact N-O 2.82Å
281I95.3Very high91.9Very high0 Ų048.2 Ų48.20%026%0.261CS..EExtended strand (participates in β ladder)trans-126.3123.1172.5-57170.4000107.1L104 W105 F107 W116 L188 L190 I262 F264 I278L104-I281 PolarHBondContact N-O 3.32Å; W105-I281 HydrophobicContact CB-CB 4.26Å; W105-I281 HydrophobicContact CE3-CB 3.74Å; W105-I281 HydrophobicContact CE3-CD1 4.43Å; W105-I281 HydrophobicContact CE3-CG2 3.41Å; W105-I281 VanDerWaalsContact CE3-CG2 3.41Å; W105-I281 HydrophobicContact CZ3-CG2 3.73Å; W105-I281 PolarHBondContact N-O 3.46Å; W105-I281 PolarHBondContact O-N 2.67Å; F107-I281 HydrophobicContact CE2-CD1 4.27Å; F107-I281 HydrophobicContact CE2-CG1 4.41Å; F107-I281 HydrophobicContact CZ-CD1 4.3Å; W116-I281 HydrophobicContact CH2-CD1 3.42Å; W116-I281 VanDerWaalsContact CH2-CD1 3.42Å; W116-I281 HydrophobicContact CZ2-CD1 3.72Å; L188-I281 HydrophobicContact CD1-CG2 4.33Å; L190-I281 HydrophobicContact CD2-CB 3.92Å; L190-I281 HydrophobicContact CD2-CG1 3.68Å; L190-I281 HydrophobicContact CD2-CG2 3.59Å; I262-I281 HydrophobicContact CD1-CG2 3.99Å; F264-I281 HydrophobicContact CE2-CD1 3.62Å; F264-I281 HydrophobicContact CZ-CD1 3.85Å; F264-I281 HydrophobicContact CZ-CG1 4.37Å; I278-I281 HydrophobicContact CG2-CD1 4.25Å; I278-I281 HydrophobicContact CG2-CG1 3.82Å
282G94.9Very high91.3Very high2 Ų250.9 Ų50.92%0.02128%0.276CS..EExtended strand (participates in β ladder)trans-140.4176.8-179.600000112.5Q102 L188 H189Q102-G282 CarbonylContact O-C 3.59Å; Q102-G282 WeakPolarHBondContact O-CA 3.26Å; L188-G282 WeakPolarHBondContact CD1-O 3.19Å; H189-G282 PolarHBondContact N-O 3.25Å; H189-G282 CarbonylContact O-C 3.41Å; H189-G282 PolarHBondContact O-N 2.59Å; H189-G282 VanDerWaalsContact O-O 3.05Å
283V94.6Very high91Very high1 Ų152.2 Ų52.21%0.00628%0.277CS..EExtended strand (participates in β ladder)trans-122.9145.6174.7-69.20000109N101 Q102 L104 W182 F185 T187 L188 F236N101-V283 WeakPolarHBondContact CA-O 3.23Å; Q102-V283 HydrophobicContact CB-CG2 3.93Å; Q102-V283 PolarHBondContact N-O 3.19Å; Q102-V283 PolarHBondContact O-N 3.23Å; L104-V283 HydrophobicContact CD1-CG1 3.7Å; L104-V283 HydrophobicContact CD1-CG2 4.18Å; L104-V283 HydrophobicContact CD2-CG2 4.49Å; L104-V283 HydrophobicContact CG-CG2 4.27Å; W182-V283 HydrophobicContact CD2-CG1 3.91Å; W182-V283 HydrophobicContact CE3-CG1 4.11Å; W182-V283 HydrophobicContact CG-CG1 4.19Å; F185-V283 HydrophobicContact CB-CB 3.93Å; F185-V283 HydrophobicContact CB-CG2 4.25Å; F185-V283 HydrophobicContact CD1-CB 4.33Å; F185-V283 HydrophobicContact CD1-CG2 4.03Å; F185-V283 HydrophobicContact CD2-CB 4.03Å; F185-V283 HydrophobicContact CD2-CG2 3.39Å; F185-V283 HydrophobicContact CE1-CG2 4.22Å; F185-V283 HydrophobicContact CE2-CG2 3.6Å; F185-V283 HydrophobicContact CG-CB 3.85Å; F185-V283 HydrophobicContact CG-CG2 3.62Å; F185-V283 HydrophobicContact CZ-CG2 4.02Å; T187-V283 CarbonylContact O-C 3.6Å; T187-V283 WeakPolarHBondContact O-CA 3.2Å; L188-V283 HydrophobicContact CD1-CG1 4.27Å; F236-V283 HydrophobicContact CZ-CG1 3.96Å
284C93.1Very high90.6Very high6 Ų649.6 Ų49.64%0.04126%0.264CS..EExtended strand (participates in β ladder)trans-137.3139.4-175170.10000109.4Q100 N101 N186 T187 H189Q100-C284 CarbonylContact O-C 3.55Å; Q100-C284 VanDerWaalsContact O-CA 3.3Å; Q100-C284 WeakPolarHBondContact O-CA 3.14Å; N101-C284 WeakPolarHBondContact OD1-CB 3.32Å; N101-C284 PolarHBondContact OD1-SG 3.43Å; N186-C284 PolarHBondContact N-O 3.26Å; T187-C284 PolarHBondContact N-O 3.2Å; T187-C284 PolarHBondContact O-N 3.38Å; T187-C284 WeakPolarHBondContact OG1-CB 3.09Å; T187-C284 PolarHBondContact OG1-O 2.91Å; H189-C284 HydrophobicContact CB-CB 4.23Å
285K91.4Very high90.2Very high68 Ų6853.1 Ų53.130%0.29628%0.278SS..  trans-93101.9170.3-169.6173.8-165.7151.40108.2Q100 S184 F185 Y287Q100-K285 PolarHBondContact O-N 2.92Å; S184-K285 WeakPolarHBondContact O-CD 3.32Å; S184-K285 PolarHBondContact O-NZ 3.34Å; F185-K285 HydrophobicContact CD1-CB 4.2Å; K285-Y287 HydrophobicContact CD-CE1 4.24Å
286D90.3Very high89.5Confident55 Ų5555.5 Ų55.529%0.29429%0.289SS..  trans-93.6118.3172.9-168.8-2.2000109.4T187 A288 H289T187-D286 HydrophobicContact CG2-CB 3.75Å; D286-A288 VanDerWaalsContact C-N 3.34Å; D286-A288 WeakPolarHBondContact OD1-CB 3.43Å; D286-A288 PolarHBondContact OD1-N 3.21Å; D286-H289 HydrophobicContact CB-CB 4.27Å
287Y88.1Confident88.8Confident152 Ų15262 Ų6260%0.59632%0.317SS*.SBendtrans-78.3-19.9178.9-64.1-81.4000112.8Q100 K285Q100-Y287 HydrophobicContact CG-CE2 4.25Å; K285-Y287 HydrophobicContact CD-CE1 4.24Å
288A88.1Confident87.7Confident85 Ų8570 Ų7070%0.70235%0.348SS*.SBendtrans-72.5-25.517600000111.5D286 T290D286-A288 VanDerWaalsContact C-N 3.34Å; D286-A288 WeakPolarHBondContact OD1-CB 3.43Å; D286-A288 PolarHBondContact OD1-N 3.21Å; A288-T290 PolarHBondContact O-N 3.41Å
289H86.6Confident86.7Confident29 Ų2977.8 Ų77.813%0.13438%0.382CS..  trans-89.2107.7-179-170.276.2000110.9S237 D286 E291S237-H289 PolarHBondContact OG-CE1 3.18Å; S237-H289 PolarHBondContact OG-NE2 2.78Å; D286-H289 HydrophobicContact CB-CB 4.27Å; H289-E291 IonicContact CE1-OE2 3.31Å; H289-E291 PolarHBondContact CE1-OE2 2.73Å; H289-E291 PolarHBondContact NE2-O 3.14Å
290T84.9Confident85.6Confident116 Ų11684.7 Ų84.771%0.71241%0.406SS*.  trans-110.2-3.1-178.150.80000113.5A288 D292A288-T290 PolarHBondContact O-N 3.41Å; T290-D292 PolarHBondContact O-N 3.24Å
291E86.8Confident84.7Confident104 Ų10489 Ų8949%0.48643%0.431SS..  trans-75.7120-179.3-54.3172.5169.800110.5S237 H289S237-E291 WeakPolarHBondContact CB-O 3.04Å; H289-E291 IonicContact CE1-OE2 3.31Å; H289-E291 PolarHBondContact CE1-OE2 2.73Å; H289-E291 PolarHBondContact NE2-O 3.14Å
292D81.3Confident83.7Confident148 Ų14894.4 Ų94.479%0.79147%0.465SS*.SBendtrans-75.8-38175-66.1-29.5000111.9S237 T290S237-D292 WeakPolarHBondContact CB-O 3.44Å; T290-D292 PolarHBondContact O-N 3.24Å
293F86Confident82.7Confident45 Ų45101.9 Ų101.920%0.19750%0.5CS..  trans-154.6125.4-175.5-161.4-120.5000112.6Q251 H252 P253 Y295Q251-F293 VanDerWaalsContact C-CZ 3.42Å; Q251-F293 HydrophobicContact CB-CE1 3.94Å; Q251-F293 HydrophobicContact CB-CZ 3.67Å; Q251-F293 WeakPolarHBondContact O-CE1 3.25Å; H252-F293 VanDerWaalsContact C-CZ 3.49Å; H252-F293 WeakPolarHBondContact O-CE2 3.38Å; H252-F293 WeakPolarHBondContact O-CZ 3.33Å; P253-F293 HydrophobicContact CB-CD2 3.98Å; P253-F293 HydrophobicContact CB-CE2 4.41Å; F293-Y295 WeakPolarHBondContact CD1-O 3.43Å; F293-Y295 HydrophobicContact CE1-CD2 4.34Å; F293-Y295 HydrophobicContact CE1-CG 4.5Å; F293-Y295 WeakPolarHBondContact CE1-O 3.49Å; F293-Y295 HydrophobicContact CE2-CD2 4.02Å; F293-Y295 AromaticContact CZ-CD2 3.85Å; F293-Y295 HydrophobicContact CZ-CD2 3.85Å; F293-Y295 HydrophobicContact CZ-CG 4.37Å
294A85.8Confident81.4Confident52 Ų52111.6 Ų111.643%0.4356%0.559SS.*  trans-84.6-18.7-174.800000114.1S237S237-A294 WeakPolarHBondContact O-CB 3.02Å; S237-A294 PolarHBondContact O-N 3.23Å; S237-A294 VanDerWaalsContact O-N 3.16Å
295Y85.6Confident80.8Confident81 Ų81116.9 Ų116.932%0.31859%0.585SS.*SBendtrans-95.8136-172-57.4-81.5000112.4K238 F239 F240 F293K238-Y295 PolarHBondContact O-OH 3.05Å; F239-Y295 WeakPolarHBondContact O-CE2 3.43Å; F240-Y295 HydrophobicContact CB-CE1 4.3Å; F240-Y295 HydrophobicContact CB-CE2 3.94Å; F293-Y295 WeakPolarHBondContact CD1-O 3.43Å; F293-Y295 HydrophobicContact CE1-CD2 4.34Å; F293-Y295 HydrophobicContact CE1-CG 4.5Å; F293-Y295 WeakPolarHBondContact CE1-O 3.49Å; F293-Y295 HydrophobicContact CE2-CD2 4.02Å; F293-Y295 AromaticContact CZ-CD2 3.85Å; F293-Y295 HydrophobicContact CZ-CD2 3.85Å; F293-Y295 HydrophobicContact CZ-CG 4.37Å
296E78.9Confident80.3Confident138 Ų138119.4 Ų119.465%0.64560%0.6SS**  trans-66.3136.9178.8-64.6-177.2172.800111.5Y298E296-Y298 HydrophobicContact CB-CE2 4.49Å; E296-Y298 VanDerWaalsContact OE2-CZ 3.31Å; E296-Y298 PolarHBondContact OE2-OH 3.06Å
297K78.4Confident79.7Confident136 Ų136123 Ų12359%0.59162%0.617SS**  trans-100.4105.3170.5-66.6-175.6179.2-1780108.9
298Y70.8Confident79.2Confident182 Ų182121.3 Ų121.371%0.71462%0.618SS**  trans-73.4128.1172.5-62.6-71.1000110.1E296 R300E296-Y298 HydrophobicContact CB-CE2 4.49Å; E296-Y298 VanDerWaalsContact OE2-CZ 3.31Å; E296-Y298 PolarHBondContact OE2-OH 3.06Å; Y298-R300 PolarHBondContact O-N 3.2Å
299K72.8Confident78.7Confident164 Ų164123.6 Ų123.671%0.71361%0.613SS**  trans-67.2105.3167.2-71.2-173.7180-177.50108N301 E303K299-N301 VanDerWaalsContact C-N 3.27Å; K299-N301 PolarHBondContact O-N 3.38Å; K299-E303 IonicContact NZ-OE1 4Å; K299-E303 PolarHBondContact NZ-OE1 3.3Å
300R69.8Low78.1Confident176 Ų176129.9 Ų129.966%0.66465%0.645SS**SBendtrans-66.8-27.4-179.7-83.7-178.2167.6172.6-5113.3D249 Y298D249-R300 IonicContact OD2-NH2 2.71Å; D249-R300 PolarHBondContact OD2-NH2 3.07Å; Y298-R300 PolarHBondContact O-N 3.2Å
301N75.1Confident77.6Confident130 Ų130130.9 Ų130.970%0.69564%0.64SS**SBendtrans-113.8134.6178.9-71.1-0.5000110.5K299K299-N301 VanDerWaalsContact C-N 3.27Å; K299-N301 PolarHBondContact O-N 3.38Å
302P75Confident76.9Confident112 Ų112132.9 Ų132.973%0.72765%0.652SS**  trans-63140.1164.527.5-31.5000109.1V304P302-V304 PolarHBondContact O-N 3.16Å
303E74.3Confident76.6Confident159 Ų159131.7 Ų131.774%0.74364%0.64SS**  trans-64.8116.1171.5-67.8173.8-17200107.4K299K299-E303 IonicContact NZ-OE1 4Å; K299-E303 PolarHBondContact NZ-OE1 3.3Å
304V66.6Low75.7Confident205 Ų205139.5 Ų139.5100%1.24268%0.68SS**  trans-88.30176.4-1780000109.3P302P302-V304 PolarHBondContact O-N 3.16Å

Retrieved 304 of 304 residues in 390.5 ms (Link to these results)