A0A087YGJ8_POEFO Loading...

Protein Mis18-alpha

Required for recruitment of CENPA to centromeres and normal chromosome segregation during mitosis.

AlphaFold DB , UniProt , Accession A0A087YGJ8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 248 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
1M36.9Very low30.7Very low232 Ų232159 Ų159100%1.14384%0.836SS**  098.60-85.3178.7176.100108.5
2F27.9Very low30.4Very low224 Ų224162.2 Ų162.298%0.98284%0.838SS**  trans-150108150.8-80.9-69.2000106.2
3A31.4Very low30.5Very low90 Ų90165.5 Ų165.574%0.74483%0.833SS**  trans-103.1170.5171.400000108.7
4L31.3Very low30.2Very low157 Ų157167.2 Ų167.282%0.82283%0.832SS**  trans97119.7179-53.5166000112.2
5N29.8Very low30.5Very low139 Ų139164.1 Ų164.174%0.74381%0.807SS**  cis-155.9151.114.8-109.9-22.9000111.9
6P36.8Very low30.4Very low111 Ų111161.9 Ų161.972%0.72179%0.792SS**  trans-97.6122.9174.734.7-25.2000111
7L29.3Very low30.6Very low157 Ų157160.5 Ų160.582%0.82278%0.777SS**  trans-153.377.6166-127121.2000110.6
8F28.7Very low30.7Very low205 Ų205156.8 Ų156.890%0.89978%0.777SS**  trans-125.584.3156.9-136.5-96.8000106.8A10F8-A10 PolarHBondContact O-N 3.14Å
9Q27.4Very low30.7Very low172 Ų172155.1 Ų155.180%0.80478%0.776SS**  trans-64.8103168.4-72.3-127.24000107.2E11Q9-E11 VanDerWaalsContact C-N 3.33Å; Q9-E11 PolarHBondContact O-N 2.93Å
10A30.2Very low30.8Very low82 Ų82150.6 Ų150.668%0.67876%0.757SS**  trans-6597.8167.100000107.9F8 K12F8-A10 PolarHBondContact O-N 3.14Å; A10-K12 PolarHBondContact O-N 3.19Å
11E27.5Very low30.9Very low180 Ų180149.8 Ų149.884%0.84176%0.755SS**  trans-66.596.1174.9-160.3164.7-159.700108.5Q9 R13Q9-E11 VanDerWaalsContact C-N 3.33Å; Q9-E11 PolarHBondContact O-N 2.93Å; E11-R13 VanDerWaalsContact C-N 3.26Å; E11-R13 PolarHBondContact O-N 2.83Å
12K27.1Very low30.9Very low197 Ų197141.7 Ų141.786%0.85772%0.716SS**  trans-66.186.1175.1-70179.7-177.4176.80108.5A10 K14A10-K12 PolarHBondContact O-N 3.19Å; K12-K14 PolarHBondContact O-N 3.11Å
13R32.7Very low31.1Very low206 Ų206135.5 Ų135.578%0.77770%0.7SS**  trans-59.3103.8165.5-88.3-177174.2176.6-2.1108.1E11 R15E11-R13 VanDerWaalsContact C-N 3.26Å; E11-R13 PolarHBondContact O-N 2.83Å; R13-R15 PolarHBondContact O-N 3.04Å
14K25.3Very low31.2Very low189 Ų189137.2 Ų137.282%0.82271%0.707SS**  trans-63.887.8165.8-70.3179.5-179.6177.20107.8K12 K16K12-K14 PolarHBondContact O-N 3.11Å; K14-K16 PolarHBondContact O-N 2.64Å
15R35.4Very low31.2Very low120 Ų120133.5 Ų133.545%0.45370%0.699SS.*  trans-71.4109.9170.4-68.2-179.6177.4-173-6.9106.9R13 Y17R13-R15 PolarHBondContact O-N 3.04Å; R15-Y17 WeakPolarHBondContact O-CD2 3.34Å; R15-Y17 WeakPolarHBondContact O-CE2 3.09Å; R15-Y17 PolarHBondContact O-N 2.73Å
16K28.7Very low31.6Very low129 Ų129133.3 Ų133.356%0.56171%0.708SS**  trans-74.3100.9170-60-172.2-150.5-167.30106.3K14 G43 F44K14-K16 PolarHBondContact O-N 2.64Å; K16-G43 PolarHBondContact NZ-O 3.09Å; K16-F44 HydrophobicContact CD-CD1 3.96Å; K16-F44 HydrophobicContact CD-CE1 3.36Å; K16-F44 HydrophobicContact CD-CE2 4.12Å; K16-F44 HydrophobicContact CD-CZ 3.48Å; K16-F44 VanDerWaalsContact CD-CZ 3.48Å; K16-F44 VanDerWaalsContact CE-CE1 3.49Å; K16-F44 HydrophobicContact CG-CE1 3.68Å; K16-F44 HydrophobicContact CG-CZ 3.89Å; K16-F44 VanDerWaalsContact NZ-CD2 3.26Å
17Y33.2Very low31.4Very low138 Ų138130.5 Ų130.554%0.54170%0.7SS.*  trans-63.9138.9174.6-59.2-81000109.2R15 V19R15-Y17 WeakPolarHBondContact O-CD2 3.34Å; R15-Y17 WeakPolarHBondContact O-CE2 3.09Å; R15-Y17 PolarHBondContact O-N 2.73Å; Y17-V19 PolarHBondContact O-N 3.41Å; Y17-V19 VanDerWaalsContact O-N 3.12Å
18A32Very low31.5Very low95 Ų95133 Ų13379%0.78570%0.7SS**  trans-63.2109150.200000105.5V20A18-V20 PolarHBondContact O-N 2.88Å
19V31.3Very low32.1Very low123 Ų123130.9 Ų130.975%0.74570%0.697SS**  trans-62.6110.2170.41760000105.6Y17 N21Y17-V19 PolarHBondContact O-N 3.41Å; Y17-V19 VanDerWaalsContact O-N 3.12Å; V19-N21 VanDerWaalsContact C-N 3.29Å; V19-N21 PolarHBondContact O-N 2.95Å
20V33.9Very low32.9Very low65 Ų65128 Ų12839%0.39469%0.687SS.*  trans-63.499.8167.8-175.50000105.4A18 I22 P33A18-V20 PolarHBondContact O-N 2.88Å; V20-I22 VanDerWaalsContact C-N 3.3Å; V20-I22 HydrophobicContact CB-CG1 4.46Å; V20-I22 HydrophobicContact CG1-CD1 4.18Å; V20-I22 HydrophobicContact CG1-CG1 3.67Å; V20-I22 PolarHBondContact O-N 2.85Å; V20-P33 HydrophobicContact CG1-CB 3.95Å; V20-P33 HydrophobicContact CG1-CG 3.59Å
21N32.1Very low33.6Very low135 Ų135130.7 Ų130.772%0.72269%0.685SS**  trans-80.785.7-178.4-152.6-4.4000107.4V19 S23V19-N21 VanDerWaalsContact C-N 3.29Å; V19-N21 PolarHBondContact O-N 2.95Å; N21-S23 PolarHBondContact O-N 2.83Å
22I37.1Very low34.6Very low61 Ų61124.3 Ų124.331%0.31366%0.659SS.*  trans-78.479.5175.6-52.1177.2000106.8V20 S24 P33 S114 D116V20-I22 VanDerWaalsContact C-N 3.3Å; V20-I22 HydrophobicContact CB-CG1 4.46Å; V20-I22 HydrophobicContact CG1-CD1 4.18Å; V20-I22 HydrophobicContact CG1-CG1 3.67Å; V20-I22 PolarHBondContact O-N 2.85Å; I22-S24 PolarHBondContact O-N 2.8Å; I22-S24 VanDerWaalsContact O-N 3.08Å; I22-P33 HydrophobicContact CG1-CB 4.36Å; I22-S114 VanDerWaalsContact CD1-OG 3.22Å; I22-S114 WeakPolarHBondContact CD1-OG 3.14Å; I22-D116 WeakPolarHBondContact CD1-OD1 3.37Å
23S32.4Very low35.9Very low95 Ų95116 Ų11666%0.66463%0.626SS**  trans-66.2110.7169.258.60000108N21 A25N21-S23 PolarHBondContact O-N 2.83Å; S23-A25 PolarHBondContact O-N 2.97Å
24S33.4Very low36.7Very low125 Ų125113.1 Ų113.187%0.87462%0.619SS**  trans-67.479.4173.311.80000109.5I22I22-S24 PolarHBondContact O-N 2.8Å; I22-S24 VanDerWaalsContact O-N 3.08Å
25A30.4Very low37.8Very low79 Ų79105.9 Ų105.965%0.65359%0.587SS**  trans-92.1112.2160.900000107.2S23 G27S23-A25 PolarHBondContact O-N 2.97Å; A25-G27 PolarHBondContact O-N 3.46Å
26S37.6Very low37.8Very low136 Ų136106.4 Ų106.495%0.95159%0.593SS**SBendtrans-50.2118.2172.4-174.50000110.7
27G33.2Very low38.1Very low52 Ų52104.9 Ų104.954%0.53660%0.595SS.*SBendtrans132.6116.1175.900000111.7A25A25-G27 PolarHBondContact O-N 3.46Å
28Y32.5Very low37.8Very low209 Ų209105.7 Ų105.782%0.8260%0.603SS**  trans83.672.3-177.3-47.3-70.9000116N30Y28-N30 PolarHBondContact O-N 2.86Å
29L40.7Very low37.7Very low160 Ų160110 Ų11084%0.83861%0.605SS**THydrogen-bonded Turntrans-61126160.2-151.373.3000108
30N44.2Very low37.4Very low112 Ų112107.6 Ų107.660%0.59960%0.604SS**THydrogen-bonded Turntrans94.932.7174.8-43.8-58.4000119Y28Y28-N30 PolarHBondContact O-N 2.86Å
31Q44.8Very low37.4Very low139 Ų139116 Ų11665%0.6563%0.629SS**  trans-110143.9158.6-75.2178.8-2.100110.5W111Q31-W111 PolarHBondContact O-NE1 2.74Å
32P48.9Very low37.2Very low45 Ų45115.9 Ų115.929%0.29263%0.633SS.*PPolyproline II helixtrans-57.1140.4167.625.9-32.4000108.9K34 F35 W111P32-K34 PolarHBondContact O-N 3.31Å; P32-F35 HydrophobicContact CB-CE2 4.25Å; P32-W111 HydrophobicContact CB-CB 4.36Å; P32-W111 HydrophobicContact CB-CD2 3.95Å; P32-W111 HydrophobicContact CB-CE3 4.33Å; P32-W111 HydrophobicContact CB-CG 3.95Å
33P54.3Low37Very low24 Ų24116 Ų11616%0.15665%0.649CS.*PPolyproline II helixtrans-57.5141.7177.922.6-31000109.9V20 I22 F35 W111V20-P33 HydrophobicContact CG1-CB 3.95Å; V20-P33 HydrophobicContact CG1-CG 3.59Å; I22-P33 HydrophobicContact CG1-CB 4.36Å; P33-F35 HydrophobicContact CG-CZ 4.44Å; P33-F35 WeakPolarHBondContact O-CD2 3.44Å; P33-F35 WeakPolarHBondContact O-CE2 3.43Å; P33-F35 PolarHBondContact O-N 2.9Å; P33-W111 VanDerWaalsContact CD-CZ2 3.4Å; P33-W111 HydrophobicContact CG-CH2 4.35Å; P33-W111 HydrophobicContact CG-CZ2 4.3Å
34K49.7Very low37Very low144 Ų144118.8 Ų118.863%0.62665%0.65SS**PPolyproline II helixtrans-58.4120.1173.4-64.7-163.3173.1-148.40109P32 K36 D89P32-K34 PolarHBondContact O-N 3.31Å; K34-K36 VanDerWaalsContact C-N 3.32Å; K34-K36 PolarHBondContact O-N 2.88Å; K34-D89 PolarHBondContact NZ-O 2.63Å
35F47.2Very low36.5Very low37 Ų37118 Ų11816%0.16265%0.65CS.*  trans-87.274.1-174.1-72-85.9000109.7P32 P33 T37 D91 V94 F96 V190P32-F35 HydrophobicContact CB-CE2 4.25Å; P33-F35 HydrophobicContact CG-CZ 4.44Å; P33-F35 WeakPolarHBondContact O-CD2 3.44Å; P33-F35 WeakPolarHBondContact O-CE2 3.43Å; P33-F35 PolarHBondContact O-N 2.9Å; F35-T37 PolarHBondContact O-N 2.84Å; F35-T37 VanDerWaalsContact O-N 3.1Å; F35-D91 VanDerWaalsContact C-OD2 3.29Å; F35-D91 PolarHBondContact N-OD2 3.11Å; F35-D91 VanDerWaalsContact N-OD2 3.08Å; F35-V94 HydrophobicContact CD2-CB 4.5Å; F35-V94 HydrophobicContact CD2-CG2 3.5Å; F35-V94 VanDerWaalsContact CD2-CG2 3.5Å; F35-V94 HydrophobicContact CE2-CB 4.19Å; F35-V94 HydrophobicContact CE2-CG1 4.38Å; F35-V94 HydrophobicContact CE2-CG2 3.63Å; F35-V94 HydrophobicContact CG-CG2 4.23Å; F35-V94 HydrophobicContact CZ-CG1 4.44Å; F35-V94 HydrophobicContact CZ-CG2 4.46Å; F35-F96 HydrophobicContact CZ-CE1 4.39Å; F35-F96 HydrophobicContact CZ-CZ 4.43Å; F35-V190 HydrophobicContact CB-CG2 4.41Å
36K37.2Very low36.4Very low132 Ų132121.1 Ų121.157%0.57466%0.661SS**  trans-59.7116.7-178.1-63.3-171-177.4-178.40112K34 H38K34-K36 VanDerWaalsContact C-N 3.32Å; K34-K36 PolarHBondContact O-N 2.88Å; K36-H38 VanDerWaalsContact CD-NE2 3.29Å; K36-H38 WeakPolarHBondContact CD-NE2 3.35Å; K36-H38 PolarHBondContact O-N 3.09Å; K36-H38 VanDerWaalsContact O-N 3.16Å
37T33.7Very low35.7Very low97 Ų97123.4 Ų123.460%0.59566%0.659SS**  trans-7986.5162.453.70000109.3F35 F39F35-T37 PolarHBondContact O-N 2.84Å; F35-T37 VanDerWaalsContact O-N 3.1Å; T37-F39 PolarHBondContact O-N 3.14Å
38H27.8Very low35.4Very low154 Ų154125.9 Ų125.971%0.71367%0.674SS**  trans-78.6112173.5-83.8-67.3000111.1K36K36-H38 VanDerWaalsContact CD-NE2 3.29Å; K36-H38 WeakPolarHBondContact CD-NE2 3.35Å; K36-H38 PolarHBondContact O-N 3.09Å; K36-H38 VanDerWaalsContact O-N 3.16Å
39F28.7Very low35.3Very low187 Ų187122.1 Ų122.182%0.8267%0.673SS**  trans-98128.2166.6-123.7-95.7000109.9T37 L198T37-F39 PolarHBondContact O-N 3.14Å; F39-L198 HydrophobicContact CE2-CD2 4.06Å; F39-L198 HydrophobicContact CZ-CD2 3.87Å
40G25.2Very low34.8Very low71 Ų71122.6 Ų122.673%0.73267%0.669SS**  trans16889.3172.600000117
41R33.3Very low33.9Very low241 Ų241124.6 Ų124.691%0.90967%0.674SS**SBendtrans56.3119.1150.7-76176.4175.8172.9-1.6120
42T28.7Very low33.6Very low134 Ų134127.3 Ų127.382%0.82268%0.684SS**SBendtrans53.493.6-178.158.80000112.6F44T42-F44 VanDerWaalsContact C-N 3.32Å; T42-F44 PolarHBondContact O-N 3.2Å
43G32.6Very low32.4Very low62 Ų62131.2 Ų131.264%0.63971%0.709SS**SBendtrans-66.781.1-168.800000114.2K16K16-G43 PolarHBondContact NZ-O 3.09Å
44F32.2Very low31.5Very low155 Ų155135.7 Ų135.768%0.6874%0.736SS**  trans179.7125.4151.3-83.9-68.2000107.1K16 T42K16-F44 HydrophobicContact CD-CD1 3.96Å; K16-F44 HydrophobicContact CD-CE1 3.36Å; K16-F44 HydrophobicContact CD-CE2 4.12Å; K16-F44 HydrophobicContact CD-CZ 3.48Å; K16-F44 VanDerWaalsContact CD-CZ 3.48Å; K16-F44 VanDerWaalsContact CE-CE1 3.49Å; K16-F44 HydrophobicContact CG-CE1 3.68Å; K16-F44 HydrophobicContact CG-CZ 3.89Å; K16-F44 VanDerWaalsContact NZ-CD2 3.26Å; T42-F44 VanDerWaalsContact C-N 3.32Å; T42-F44 PolarHBondContact O-N 3.2Å
45A24.4Very low30.4Very low108 Ų108139.6 Ų139.689%0.89375%0.747SS**  trans-143.9132.3165.700000112.1
46V27.6Very low29.5Very low144 Ų144149.2 Ų149.287%0.87378%0.782SS**  trans-87.8157.6175.3168.70000109.3
47M23.4Very low29.3Very low185 Ų185150.7 Ų150.791%0.91180%0.796SS**  trans-49.5140.7-179.9-67.8-70.6-179.500115.1
48A25.5Very low29.3Very low104 Ų104155.4 Ų155.486%0.8681%0.811SS**  trans-132.5135.6157.100000110.2
49T32.2Very low29.6Very low129 Ų129156.6 Ų156.679%0.79181%0.814SS**  trans-80.5154.7-175.549.60000113.4
50K29.4Very low29.6Very low171 Ų171154.6 Ų154.674%0.74381%0.812SS**  trans97.3125.1145.7-84.2179.2162.2-136.60121
51E26.3Very low30Very low153 Ų153157.4 Ų157.472%0.71581%0.808SS**  trans93.3117.7131.3-70.9173.3-15500120.6
52K36.7Very low30Very low197 Ų197152.8 Ų152.886%0.85780%0.802SS**  trans-65.2155.9167.4-71.6174.8174.1175.30110.2
53P25.3Very low30.2Very low127 Ų127156 Ų15683%0.82581%0.805SS**  -137.4150.211327.7-10.3000114.8
54T33.8Very low30.1Very low117 Ų117158.9 Ų158.972%0.71881%0.81SS**  trans-75.4149.6172.238.70000112.1
55R28.3Very low30.3Very low227 Ų227160 Ų16086%0.85781%0.814SS**  trans173.4112137.3-94.4156.4-170.1-147.14.1109.9
56R27.3Very low30.7Very low239 Ų239164 Ų16490%0.90282%0.815SS**  86.2104.296.5-80.6-168.9-176-161.10.9113
57L34.1Very low31.1Very low163 Ų163162.3 Ų162.385%0.85381%0.805SS**  trans-63131.2165.1-169.777.2000110.6
58Q32.5Very low31.5Very low195 Ų195158.5 Ų158.591%0.91180%0.797SS**  trans-139.2129.5159.8-97.4-178.6-14.600110.7
59K34.2Very low32.1Very low180 Ų180159.1 Ų159.178%0.78379%0.794SS**  trans-87.2145.2172.6-72.5174.9172.2177.60110.5
60N29.2Very low32.7Very low144 Ų144161.1 Ų161.177%0.7780%0.799SS**  trans-176.8118.8136-110.7-27.4000109.6
61I32.6Very low33Very low130 Ų130158.7 Ų158.767%0.66779%0.793SS**  75.2105.274.7-60-178.2000114.3
62N34.5Very low33.8Very low145 Ų145156.7 Ų156.778%0.77580%0.796SS**  trans67.9142.2138.4-53.3-1.3000124.2
63K32.6Very low34.1Very low202 Ų202151.4 Ų151.488%0.87878%0.784SS**  trans123.4145.9150.5-74.8-179.6173.8177.20111.2
64T30.4Very low34.8Very low121 Ų121148.6 Ų148.674%0.74277%0.772SS**  cis-168147.3-12.4-870000104.1
65F35.7Very low35.2Very low178 Ų178148.6 Ų148.678%0.78177%0.771SS**  trans-69.3121.8177.5-178-103.3000111.4V67F65-V67 HydrophobicContact CD1-CG2 4.06Å; F65-V67 HydrophobicContact CE1-CG2 3.24Å; F65-V67 HydrophobicContact CE2-CG2 3.87Å; F65-V67 HydrophobicContact CZ-CG2 3.13Å
66E32.8Very low35.8Very low192 Ų192145.8 Ų145.890%0.89777%0.768SS**  trans-128.1130.6156.6-87-163.9165.600109.4
67V35.7Very low36.3Very low109 Ų109142.6 Ų142.666%0.66176%0.763SS**  trans-95.7121.9178.1167.60000107.8F65F65-V67 HydrophobicContact CD1-CG2 4.06Å; F65-V67 HydrophobicContact CE1-CG2 3.24Å; F65-V67 HydrophobicContact CE2-CG2 3.87Å; F65-V67 HydrophobicContact CZ-CG2 3.13Å
68S33.2Very low36.6Very low106 Ų106144 Ų14474%0.74176%0.763SS**  trans-152.2135.114659.70000111.7
69S38.3Very low36.8Very low116 Ų116141.9 Ų141.981%0.81176%0.757SS**  trans63.8106.5149.5-54.80000118.9D71S69-D71 PolarHBondContact O-N 3.26Å
70I43.3Very low37.1Very low172 Ų172141.8 Ų141.888%0.88276%0.756SS**  trans-58.5115173.4-63.9158.9000109.8
71D35.8Very low37.4Very low119 Ų119138.2 Ų138.264%0.63675%0.754SS**  trans-95.3133.8157.9-17525.2000108.9S69 S73S69-D71 PolarHBondContact O-N 3.26Å; D71-S73 PolarHBondContact O-N 3.13Å; D71-S73 PolarHBondContact OD2-OG 3.09Å
72S43Very low37.7Very low111 Ų111143 Ų14378%0.77676%0.764SS**THydrogen-bonded Turntrans-77.922.1-167-124.50000113.9
73S43.5Very low38.1Very low86 Ų86140.5 Ų140.560%0.60176%0.763SS**THydrogen-bonded Turntrans-105.2-6.1176.665.60000113.6D71 V75D71-S73 PolarHBondContact O-N 3.13Å; D71-S73 PolarHBondContact OD2-OG 3.09Å; S73-V75 VanDerWaalsContact C-N 3.31Å; S73-V75 PolarHBondContact O-N 2.82Å
74A40.7Very low38.7Very low68 Ų68137.4 Ų137.456%0.56276%0.756SS**THydrogen-bonded Turntrans-88.630-174.300000115.1
75V41.4Very low39.3Very low117 Ų117139.8 Ų139.871%0.70976%0.756SS**THydrogen-bonded Turntrans-105-5.8176.1-141.50000113.3S73S73-V75 VanDerWaalsContact C-N 3.31Å; S73-V75 PolarHBondContact O-N 2.82Å
76E40.7Very low39.6Very low168 Ų168138.7 Ų138.779%0.78576%0.758SS**SBendtrans-93.8-19.4176.1-63.2-160.7153.300113.8K78E76-K78 PolarHBondContact O-N 3.2Å
77E38.6Very low40.2Very low173 Ų173135.1 Ų135.181%0.80875%0.749SS**THydrogen-bonded Turntrans-84.1-3.9-177.8-79.8-163144.300115.3
78K40.7Very low40.7Very low193 Ų193138.1 Ų138.184%0.83976%0.756SS**THydrogen-bonded Turntrans-97.32.6-178.7-83.5-175.6177.3175.10115.7E76E76-K78 PolarHBondContact O-N 3.2Å
79L37Very low41.8Very low150 Ų150137.4 Ų137.479%0.78574%0.744SS**SBendtrans-106.1-14.1176.2-74.4170.7000114.4
80F38.8Very low42.7Very low177 Ų177138.6 Ų138.678%0.77674%0.742SS**SBendtrans-108.389172.9-59.4-75.8000108R82F80-R82 PolarHBondContact O-N 2.9Å
81G35.5Very low44Very low70 Ų70132.3 Ų132.372%0.72271%0.71SS**  trans-47137.1174.700000110.5A83G81-A83 PolarHBondContact O-N 3.45Å
82R38.9Very low46.2Very low230 Ų230127.6 Ų127.687%0.86869%0.69SS**  trans-35.7109.8174.1-77.4-178.8176.5-176.6-3.3110.1F80 D84F80-R82 PolarHBondContact O-N 2.9Å; R82-D84 PolarHBondContact O-N 3.14Å
83A44.1Very low48.5Very low92 Ų92125.7 Ų125.776%0.7667%0.674SS**  trans-81.152.3166.800000109.3G81 K85G81-A83 PolarHBondContact O-N 3.45Å; A83-K85 PolarHBondContact O-N 3.34Å; A83-K85 VanDerWaalsContact O-N 3.14Å
84D44.9Very low50.9Low137 Ų137121.7 Ų121.773%0.73365%0.646SS**  trans-82.362.8151.1-68.3-32.7000106R82R82-D84 PolarHBondContact O-N 3.14Å
85K43.2Very low53.6Low172 Ų172120 Ų12075%0.74863%0.629SS**  trans-86.1104.1156-72.1-174.5-179.3176.60103.6A83 V87A83-K85 PolarHBondContact O-N 3.34Å; A83-K85 VanDerWaalsContact O-N 3.14Å; K85-V87 HydrophobicContact CB-CG2 4.3Å; K85-V87 WeakPolarHBondContact O-CG2 3.45Å; K85-V87 PolarHBondContact O-N 3.45Å
86D42.3Very low56.2Low154 Ų154114.7 Ų114.782%0.82460%0.596SS**  trans-47.993.8143.1-66.9-50.2000105E88D86-E88 PolarHBondContact O-N 2.92Å
87V45.8Very low58.9Low117 Ų117108 Ų10871%0.70957%0.566SS**  trans-69.788.7172.8-167.70000102.5K85 D89K85-V87 HydrophobicContact CB-CG2 4.3Å; K85-V87 WeakPolarHBondContact O-CG2 3.45Å; K85-V87 PolarHBondContact O-N 3.45Å; V87-D89 PolarHBondContact O-N 3.18Å
88E45.7Very low61.7Low173 Ų17399.8 Ų99.881%0.80853%0.527SS*.  trans-53100.3156.7-71-119.9163.500104.3D86 D90D86-E88 PolarHBondContact O-N 2.92Å; E88-D90 PolarHBondContact O-N 2.78Å
89D55.3Low64.3Low90 Ų9091.1 Ų91.148%0.48149%0.493SS..  trans-68.769.8175.3-146.925.7000105.9K34 V87 D91K34-D89 PolarHBondContact NZ-O 2.63Å; V87-D89 PolarHBondContact O-N 3.18Å; D89-D91 PolarHBondContact O-N 3.3Å
90D57.8Low67.1Low142 Ų14291.2 Ų91.276%0.75949%0.487SS*.  trans-90.785.2168.4-164.941.9000105.5E88 G92E88-D90 PolarHBondContact O-N 2.78Å; D90-G92 PolarHBondContact O-N 2.84Å; D90-G92 VanDerWaalsContact O-N 3.16Å
91D71.3Confident69.9Low39 Ų3984.7 Ų84.721%0.20946%0.463CS..PPolyproline II helixtrans-49.5123.7167.3-75.7-43.3000107.6F35 D89 V190F35-D91 VanDerWaalsContact C-OD2 3.29Å; F35-D91 PolarHBondContact N-OD2 3.11Å; F35-D91 VanDerWaalsContact N-OD2 3.08Å; D89-D91 PolarHBondContact O-N 3.3Å; D91-V190 HydrophobicContact CB-CG1 4.41Å
92G81.9Confident72.8Confident21 Ų2189.1 Ų89.122%0.21646%0.458CS..PPolyproline II helixtrans-56168.4-179.700000112.9D90 V94 V190D90-G92 PolarHBondContact O-N 2.84Å; D90-G92 VanDerWaalsContact O-N 3.16Å; G92-V94 PolarHBondContact O-N 2.92Å; G92-V190 WeakPolarHBondContact O-CG1 3.38Å
93P91Very high75.6Confident70 Ų7080.2 Ų80.246%0.45543%0.427SS..PPolyproline II helixtrans-54.7142.2-179.118.3-28.7000112L191P93-L191 HydrophobicContact CB-CD1 4.45Å; P93-L191 HydrophobicContact CG-CB 4.13Å; P93-L191 HydrophobicContact CG-CD1 3.98Å; P93-L191 HydrophobicContact CG-CG 4.44Å; P93-L191 WeakPolarHBondContact O-CB 3.36Å; P93-L191 WeakPolarHBondContact O-CG 3.44Å; P93-L191 PolarHBondContact O-N 3.38Å
94V93.9Very high78.1Confident3 Ų378.6 Ų78.62%0.01841%0.409CS..EExtended strand (participates in β ladder)trans-104.7130.3-175.3-176.50000110.2F35 G92 F96 D107 S108 Y189 V190F35-V94 HydrophobicContact CD2-CB 4.5Å; F35-V94 HydrophobicContact CD2-CG2 3.5Å; F35-V94 VanDerWaalsContact CD2-CG2 3.5Å; F35-V94 HydrophobicContact CE2-CB 4.19Å; F35-V94 HydrophobicContact CE2-CG1 4.38Å; F35-V94 HydrophobicContact CE2-CG2 3.63Å; F35-V94 HydrophobicContact CG-CG2 4.23Å; F35-V94 HydrophobicContact CZ-CG1 4.44Å; F35-V94 HydrophobicContact CZ-CG2 4.46Å; G92-V94 PolarHBondContact O-N 2.92Å; V94-F96 HydrophobicContact CG1-CE1 4.17Å; V94-F96 HydrophobicContact CG1-CZ 4.42Å; V94-D107 CarbonylContact O-C 3.59Å; V94-D107 WeakPolarHBondContact O-CA 3.27Å; V94-D107 WeakPolarHBondContact O-CB 3.5Å; V94-S108 PolarHBondContact N-OG 2.8Å; V94-S108 PolarHBondContact O-N 2.9Å; V94-Y189 CarbonylContact C-O 3.59Å; V94-Y189 WeakPolarHBondContact CA-O 3.43Å; V94-V190 HydrophobicContact CG2-CG2 4Å
95V95.9Very high80.6Confident32 Ų3272 Ų7219%0.19437%0.374CS..EExtended strand (participates in β ladder)trans-99.1127.2172.4-177.40000108.8I97 P104 S188 Y189 L191V95-I97 HydrophobicContact CG1-CG1 4.06Å; V95-P104 HydrophobicContact CG1-CB 4.16Å; V95-S188 CarbonylContact O-C 3.5Å; V95-S188 WeakPolarHBondContact O-CA 3.44Å; V95-Y189 PolarHBondContact N-O 3.48Å; V95-Y189 PolarHBondContact O-N 2.82Å; V95-L191 HydrophobicContact CG2-CD1 4.05Å; V95-L191 HydrophobicContact CG2-CD2 3.94Å; V95-L191 HydrophobicContact CG2-CG 3.97Å
96F97.1Very high83.2Confident6 Ų664 Ų643%0.02634%0.34CS..EExtended strand (participates in β ladder)trans-91.3135172.5-57.4-69.4000110F35 V94 I105 G106 W111 I121 L123 I186 D187F35-F96 HydrophobicContact CZ-CE1 4.39Å; F35-F96 HydrophobicContact CZ-CZ 4.43Å; V94-F96 HydrophobicContact CG1-CE1 4.17Å; V94-F96 HydrophobicContact CG1-CZ 4.42Å; F96-I105 HydrophobicContact CB-CG1 4.11Å; F96-I105 VanDerWaalsContact O-CG1 3.25Å; F96-I105 WeakPolarHBondContact O-CG1 3.26Å; F96-I105 PolarHBondContact O-N 3.38Å; F96-G106 PolarHBondContact N-O 2.76Å; F96-G106 PolarHBondContact O-N 2.58Å; F96-W111 HydrophobicContact CZ-CE3 4.18Å; F96-W111 HydrophobicContact CZ-CZ3 4.08Å; F96-I121 HydrophobicContact CD1-CD1 3.69Å; F96-I121 HydrophobicContact CD2-CD1 4.21Å; F96-I121 HydrophobicContact CE1-CD1 3.53Å; F96-I121 HydrophobicContact CE2-CD1 4.07Å; F96-I121 HydrophobicContact CG-CD1 4.04Å; F96-I121 HydrophobicContact CZ-CD1 3.73Å; F96-L123 HydrophobicContact CD2-CD1 3.92Å; F96-L123 HydrophobicContact CD2-CD2 4.21Å; F96-L123 HydrophobicContact CE2-CD1 4.35Å; F96-L123 HydrophobicContact CE2-CD2 3.79Å; F96-I186 HydrophobicContact CD1-CD1 4.28Å; F96-D187 WeakPolarHBondContact CA-O 3.1Å
97I97.2Very high85.8Confident27 Ų2759.5 Ų59.514%0.13832%0.316CS..EExtended strand (participates in β ladder)trans-132.3142.4-168.8-48.8-178000109.1V95 G99 R102 L103 I186 D187V95-I97 HydrophobicContact CG1-CG1 4.06Å; I97-G99 PolarHBondContact O-N 2.85Å; I97-R102 HydrophobicContact CG2-CB 4.14Å; I97-R102 WeakPolarHBondContact CG2-O 3.22Å; I97-L103 WeakPolarHBondContact CG2-O 3.44Å; I97-I186 CarbonylContact O-C 3.57Å; I97-I186 VanDerWaalsContact O-CA 3.27Å; I97-I186 WeakPolarHBondContact O-CA 3.32Å; I97-D187 PolarHBondContact N-O 3.01Å; I97-D187 PolarHBondContact O-N 3.32Å
98C98Very high88.1Confident0 Ų054.8 Ų54.80%029%0.288CS..EExtended strand (participates in β ladder)trans-57.7124.5171.31740000111.2K100 R102 L103 I105 C157 L161C98-K100 PolarHBondContact O-N 3.23Å; C98-K100 VanDerWaalsContact O-N 3.11Å; C98-K100 PolarHBondContact SG-N 2.78Å; C98-R102 VanDerWaalsContact O-CA 3.31Å; C98-R102 WeakPolarHBondContact O-CA 3.23Å; C98-R102 PolarHBondContact O-N 3.47Å; C98-L103 PolarHBondContact N-O 2.86Å; C98-I105 HydrophobicContact CB-CG2 4.36Å; C98-C157 VanDerWaalsContact SG-SG 3.67Å; C98-L161 HydrophobicContact CB-CD2 4.16Å
99G95.3Very high90.4Very high11 Ų1154.2 Ų54.211%0.11329%0.287CS..THydrogen-bonded Turntrans-71.7-2.2-17800000115.1I97 S185I97-G99 PolarHBondContact O-N 2.85Å; G99-S185 PolarHBondContact N-O 2.9Å
100K96.2Very high92.3Very high152 Ų15250.1 Ų50.166%0.66127%0.266SS*.THydrogen-bonded Turntrans-103.5-53.5175.2-172.3179.3178.6-173.20112.4C98 C157C98-K100 PolarHBondContact O-N 3.23Å; C98-K100 VanDerWaalsContact O-N 3.11Å; C98-K100 PolarHBondContact SG-N 2.78Å; K100-C157 HydrophobicContact CD-CB 4.31Å
101C96.6Very high94Very high41 Ų4144.5 Ų44.528%0.27723%0.234SC..THydrogen-bonded Turntrans-109.91.7-172.468.80000114.9L103 C154 C157C101-L103 PolarHBondContact O-N 3.13Å; C101-L103 VanDerWaalsContact O-N 3.15Å; C101-L103 VanDerWaalsContact SG-CB 3.57Å; C101-C154 PolarHBondContact SG-SG 3.05Å; C101-C157 HydrophobicContact CB-CB 3.72Å; C101-C157 PolarHBondContact SG-SG 2.86Å
102R96.1Very high95.1Very high163 Ų16344.1 Ų44.162%0.61523%0.232SC*.  trans60.918-179.5-54.2-66.6-167.3172.6-5114.9I97 C98 D187I97-R102 HydrophobicContact CG2-CB 4.14Å; I97-R102 WeakPolarHBondContact CG2-O 3.22Å; C98-R102 VanDerWaalsContact O-CA 3.31Å; C98-R102 WeakPolarHBondContact O-CA 3.23Å; C98-R102 PolarHBondContact O-N 3.47Å; R102-D187 IonicContact CZ-OD2 3.17Å; R102-D187 VanDerWaalsContact CZ-OD2 3.31Å; R102-D187 IonicContact NH1-OD2 3.31Å; R102-D187 PolarHBondContact NH1-OD2 2.94Å; R102-D187 IonicContact NH2-OD2 2.77Å
103L97.6Very high95.5Very high42 Ų4243.9 Ų43.922%0.2223%0.229CC..  trans-73.1128.8174.1-171.167.4000110.2I97 C98 C101 I105 N129I97-L103 WeakPolarHBondContact CG2-O 3.44Å; C98-L103 PolarHBondContact N-O 2.86Å; C101-L103 PolarHBondContact O-N 3.13Å; C101-L103 VanDerWaalsContact O-N 3.15Å; C101-L103 VanDerWaalsContact SG-CB 3.57Å; L103-I105 PolarHBondContact O-N 3.44Å; L103-N129 HydrophobicContact CD2-CB 3.51Å; L103-N129 HydrophobicContact CG-CB 3.88Å
104P97.4Very high95.5Very high58 Ų5842.5 Ų42.538%0.37722%0.222SC..EExtended strand (participates in β ladder)trans-62.6134.3175-22.834.3000111.2V95 T127 N129V95-P104 HydrophobicContact CG1-CB 4.16Å; P104-T127 PolarHBondContact O-OG1 3.32Å; P104-N129 WeakPolarHBondContact O-CB 3.33Å; P104-N129 PolarHBondContact O-ND2 2.76Å
105I98.2Very high95.2Very high0 Ų044.1 Ų44.10%023%0.229CC..EExtended strand (participates in β ladder)trans-120.7-23.2-174.854.6171.7000113F96 C98 L103 V126 T127 V130 L161 L181 I186F96-I105 HydrophobicContact CB-CG1 4.11Å; F96-I105 VanDerWaalsContact O-CG1 3.25Å; F96-I105 WeakPolarHBondContact O-CG1 3.26Å; F96-I105 PolarHBondContact O-N 3.38Å; C98-I105 HydrophobicContact CB-CG2 4.36Å; L103-I105 PolarHBondContact O-N 3.44Å; I105-V126 WeakPolarHBondContact O-CB 3.49Å; I105-T127 WeakPolarHBondContact CA-OG1 3.23Å; I105-T127 PolarHBondContact O-N 2.81Å; I105-T127 PolarHBondContact O-OG1 2.87Å; I105-T127 VanDerWaalsContact O-OG1 3.07Å; I105-V130 HydrophobicContact CB-CG2 3.67Å; I105-V130 HydrophobicContact CG2-CG2 3.81Å; I105-L161 HydrophobicContact CD1-CD1 4.23Å; I105-L161 HydrophobicContact CD1-CD2 4.43Å; I105-L161 HydrophobicContact CG2-CD1 3.83Å; I105-L181 HydrophobicContact CD1-CD1 3.98Å; I105-L181 HydrophobicContact CD1-CD2 4.44Å; I105-I186 HydrophobicContact CD1-CB 4.16Å; I105-I186 HydrophobicContact CD1-CG2 3.4Å; I105-I186 VanDerWaalsContact CD1-CG2 3.4Å
106G97.1Very high94.6Very high3 Ų347.4 Ų47.43%0.03125%0.245CC..EExtended strand (participates in β ladder)trans-178-173.4177.100000111.5F96F96-G106 PolarHBondContact N-O 2.76Å; F96-G106 PolarHBondContact O-N 2.58Å
107D96.1Very high94Very high60 Ų6054.8 Ų54.832%0.32129%0.285SS..EExtended strand (participates in β ladder)trans-150165.1-17863.177.7000111.9V94 M109 S110V94-D107 CarbonylContact O-C 3.59Å; V94-D107 WeakPolarHBondContact O-CA 3.27Å; V94-D107 WeakPolarHBondContact O-CB 3.5Å; D107-M109 PolarHBondContact O-N 2.83Å; D107-M109 WeakPolarHBondContact OD1-CA 3.2Å; D107-M109 WeakPolarHBondContact OD1-CB 3.37Å; D107-M109 WeakPolarHBondContact OD1-CG 3.39Å; D107-M109 PolarHBondContact OD1-N 3.07Å; D107-S110 PolarHBondContact O-N 3.3Å; D107-S110 PolarHBondContact O-OG 2.91Å
108S94.4Very high93.2Very high18 Ų1856.3 Ų56.313%0.12629%0.292CS..G310 helixtrans-68.1-13.4-177.561.80000114.4V94 S110 W111V94-S108 PolarHBondContact N-OG 2.8Å; V94-S108 PolarHBondContact O-N 2.9Å; S108-S110 PolarHBondContact O-N 3.1Å; S108-W111 VanDerWaalsContact O-CB 3.25Å; S108-W111 WeakPolarHBondContact O-CB 3.35Å; S108-W111 PolarHBondContact O-N 2.87Å; S108-W111 VanDerWaalsContact O-N 3.14Å
109M93.6Very high92.9Very high160 Ų16060.5 Ų60.579%0.78831%0.314SS*.G310 helixtrans-69.2-17.8174.7-50.5-148.878.500112.3D107D107-M109 PolarHBondContact O-N 2.83Å; D107-M109 WeakPolarHBondContact OD1-CA 3.2Å; D107-M109 WeakPolarHBondContact OD1-CB 3.37Å; D107-M109 WeakPolarHBondContact OD1-CG 3.39Å; D107-M109 PolarHBondContact OD1-N 3.07Å
110S95.3Very high92.8Very high5 Ų561 Ų614%0.03531%0.314CS..G310 helixtrans-99.210.6175.3700000113.6D107 S108 L123 K124 R125D107-S110 PolarHBondContact O-N 3.3Å; D107-S110 PolarHBondContact O-OG 2.91Å; S108-S110 PolarHBondContact O-N 3.1Å; S110-L123 CarbonylContact O-C 3.47Å; S110-L123 WeakPolarHBondContact O-CA 3.49Å; S110-K124 PolarHBondContact O-N 3.44Å; S110-R125 PolarHBondContact OG-O 2.92Å; S110-R125 VanDerWaalsContact OG-O 3.1Å
111W94.2Very high92.7Very high23 Ų2354.6 Ų54.69%0.08729%0.286CS..EExtended strand (participates in β ladder)trans-56137.5-175.7-175.7-99000113.6Q31 P32 P33 F96 S108 G113 I121 L123Q31-W111 PolarHBondContact O-NE1 2.74Å; P32-W111 HydrophobicContact CB-CB 4.36Å; P32-W111 HydrophobicContact CB-CD2 3.95Å; P32-W111 HydrophobicContact CB-CE3 4.33Å; P32-W111 HydrophobicContact CB-CG 3.95Å; P33-W111 VanDerWaalsContact CD-CZ2 3.4Å; P33-W111 HydrophobicContact CG-CH2 4.35Å; P33-W111 HydrophobicContact CG-CZ2 4.3Å; F96-W111 HydrophobicContact CZ-CE3 4.18Å; F96-W111 HydrophobicContact CZ-CZ3 4.08Å; S108-W111 VanDerWaalsContact O-CB 3.25Å; S108-W111 WeakPolarHBondContact O-CB 3.35Å; S108-W111 PolarHBondContact O-N 2.87Å; S108-W111 VanDerWaalsContact O-N 3.14Å; W111-G113 WeakPolarHBondContact CZ2-O 3.41Å; W111-I121 HydrophobicContact CH2-CB 3.93Å; W111-I121 HydrophobicContact CH2-CG2 3.71Å; W111-I121 HydrophobicContact CZ3-CB 3.71Å; W111-I121 HydrophobicContact CZ3-CD1 4.22Å; W111-I121 HydrophobicContact CZ3-CG2 3.79Å; W111-L123 HydrophobicContact CE3-CD2 4.15Å
112D93.2Very high92.7Very high31 Ų3153.9 Ų53.917%0.16628%0.278CS..EExtended strand (participates in β ladder)trans-130.2-3.6178.3-159.863.7000113.8K122 K124 T178D112-K122 HydrophobicContact CB-CB 4.02Å; D112-K122 PolarHBondContact N-O 3.49Å; D112-K122 IonicContact OD2-NZ 2.76Å; D112-K124 HydrophobicContact CB-CG 3.85Å; D112-K124 WeakPolarHBondContact OD1-CE 3.47Å; D112-K124 WeakPolarHBondContact OD1-CG 3.09Å; D112-K124 IonicContact OD1-NZ 2.67Å; D112-T178 WeakPolarHBondContact OD2-CG2 3.43Å
113G91.9Very high92.7Very high16 Ų1646.1 Ų46.117%0.16525%0.249CC..EExtended strand (participates in β ladder)trans129.7-174.1175.800000113.6W111 K122W111-G113 WeakPolarHBondContact CZ2-O 3.41Å; G113-K122 PolarHBondContact N-O 2.86Å; G113-K122 PolarHBondContact O-N 2.83Å
114S91.3Very high92.5Very high42 Ų4249.4 Ų49.429%0.29426%0.261SS..EExtended strand (participates in β ladder)trans-123.9160.7172.263.10000110.9I22 D116 Q120I22-S114 VanDerWaalsContact CD1-OG 3.22Å; I22-S114 WeakPolarHBondContact CD1-OG 3.14Å; S114-D116 PolarHBondContact OG-OD1 3Å; S114-D116 VanDerWaalsContact OG-OD1 3.07Å; S114-Q120 WeakPolarHBondContact CA-O 3.39Å
115E87.4Confident92.4Very high36 Ų3654.7 Ų54.717%0.16827%0.274CS..EExtended strand (participates in β ladder)trans-128.596169.6-177.9134.4-120.500108.1D117 Q118 N119 Q120 K175E115-D117 PolarHBondContact O-N 3.25Å; E115-Q118 HydrophobicContact CG-CB 4.08Å; E115-Q118 HydrophobicContact CG-CG 4.06Å; E115-Q118 PolarHBondContact O-N 3.47Å; E115-Q118 PolarHBondContact OE2-OE1 3.48Å; E115-N119 PolarHBondContact O-N 3.44Å; E115-Q120 PolarHBondContact N-O 2.8Å; E115-Q120 PolarHBondContact O-N 2.76Å; E115-K175 WeakPolarHBondContact OE1-CE 3.27Å; E115-K175 IonicContact OE1-NZ 3.87Å; E115-K175 PolarHBondContact OE1-NZ 2.74Å; E115-K175 IonicContact OE2-NZ 2.58Å; E115-K175 PolarHBondContact OE2-NZ 3.41Å
116D83.2Confident92.4Very high102 Ų10256.2 Ų56.255%0.54528%0.283SS..G310 helixtrans-67.6-37.7-169.3-59.4-13.8000111.6I22 S114 Q118 N119I22-D116 WeakPolarHBondContact CD1-OD1 3.37Å; S114-D116 PolarHBondContact OG-OD1 3Å; S114-D116 VanDerWaalsContact OG-OD1 3.07Å; D116-Q118 PolarHBondContact O-N 3.26Å; D116-N119 PolarHBondContact O-N 2.91Å
117D83.3Confident92.4Very high160 Ų16058.3 Ų58.386%0.85630%0.295SS*.G310 helixtrans-59.5-31.8178.6-65.9-20.9000112.7E115E115-D117 PolarHBondContact O-N 3.25Å
118Q81.7Confident92.5Very high60 Ų6061.9 Ų61.928%0.2832%0.315SS..G310 helixtrans-104.21.2179.5-58.4-176.5-24.500112.6E115 D116 Q120 Y165E115-Q118 HydrophobicContact CG-CB 4.08Å; E115-Q118 HydrophobicContact CG-CG 4.06Å; E115-Q118 PolarHBondContact O-N 3.47Å; E115-Q118 PolarHBondContact OE2-OE1 3.48Å; D116-Q118 PolarHBondContact O-N 3.26Å; Q118-Q120 VanDerWaalsContact C-N 3.33Å; Q118-Q120 HydrophobicContact CB-CG 4.23Å; Q118-Q120 WeakPolarHBondContact O-CG 3.2Å; Q118-Q120 PolarHBondContact O-N 3.47Å; Q118-Y165 PolarHBondContact OE1-OH 2.8Å
119N90.2Very high92.6Very high87 Ų8763.3 Ų63.347%0.46532%0.321SS..THydrogen-bonded Turntrans5151-176.3-158.452.7000112.2E115 D116 V183E115-N119 PolarHBondContact O-N 3.44Å; D116-N119 PolarHBondContact O-N 2.91Å; N119-V183 WeakPolarHBondContact O-CB 3.34Å; N119-V183 WeakPolarHBondContact O-CG2 3.39Å; N119-V183 PolarHBondContact O-N 2.92Å
120Q93.3Very high92.8Very high23 Ų2356.5 Ų56.511%0.10729%0.288CS..EExtended strand (participates in β ladder)trans-125.3149.4-175.8-74.2170.63500111.8S114 E115 Q118 L181S114-Q120 WeakPolarHBondContact CA-O 3.39Å; E115-Q120 PolarHBondContact N-O 2.8Å; E115-Q120 PolarHBondContact O-N 2.76Å; Q118-Q120 VanDerWaalsContact C-N 3.33Å; Q118-Q120 HydrophobicContact CB-CG 4.23Å; Q118-Q120 WeakPolarHBondContact O-CG 3.2Å; Q118-Q120 PolarHBondContact O-N 3.47Å; Q120-L181 CarbonylContact C-O 3.5Å; Q120-L181 VanDerWaalsContact CA-O 3.24Å; Q120-L181 WeakPolarHBondContact CA-O 3.4Å
121I95.3Very high93Very high16 Ų1659.5 Ų59.58%0.08230%0.303CS..EExtended strand (participates in β ladder)trans-106.5153.6165.365.7168.4000109.6F96 W111 C180 L181 V183 I186F96-I121 HydrophobicContact CD1-CD1 3.69Å; F96-I121 HydrophobicContact CD2-CD1 4.21Å; F96-I121 HydrophobicContact CE1-CD1 3.53Å; F96-I121 HydrophobicContact CE2-CD1 4.07Å; F96-I121 HydrophobicContact CG-CD1 4.04Å; F96-I121 HydrophobicContact CZ-CD1 3.73Å; W111-I121 HydrophobicContact CH2-CB 3.93Å; W111-I121 HydrophobicContact CH2-CG2 3.71Å; W111-I121 HydrophobicContact CZ3-CB 3.71Å; W111-I121 HydrophobicContact CZ3-CD1 4.22Å; W111-I121 HydrophobicContact CZ3-CG2 3.79Å; I121-C180 CarbonylContact O-C 3.5Å; I121-C180 WeakPolarHBondContact O-CA 3.44Å; I121-L181 HydrophobicContact CD1-CB 4.47Å; I121-L181 HydrophobicContact CD1-CD1 4.36Å; I121-L181 HydrophobicContact CG1-CB 3.86Å; I121-L181 HydrophobicContact CG1-CD1 4.49Å; I121-L181 PolarHBondContact N-O 2.99Å; I121-L181 PolarHBondContact O-N 3.42Å; I121-V183 HydrophobicContact CG2-CG2 3.97Å; I121-I186 HydrophobicContact CD1-CD1 3.44Å; I121-I186 VanDerWaalsContact CD1-CD1 3.44Å; I121-I186 HydrophobicContact CG1-CD1 3.84Å
122K95.2Very high93.1Very high26 Ų2662.8 Ų62.811%0.11332%0.321CS..EExtended strand (participates in β ladder)trans-117.9131.6179.3-61.7-174.1-68.1154.60110.5D112 G113 F179D112-K122 HydrophobicContact CB-CB 4.02Å; D112-K122 PolarHBondContact N-O 3.49Å; D112-K122 IonicContact OD2-NZ 2.76Å; G113-K122 PolarHBondContact N-O 2.86Å; G113-K122 PolarHBondContact O-N 2.83Å; K122-F179 WeakPolarHBondContact CA-O 3.46Å
123L96Very high93.1Very high0 Ų062.2 Ų62.20%032%0.322CS..EExtended strand (participates in β ladder)trans-121.2143173.7-55.7-178.6000110.1F96 S110 W111 R125 V126 F179 L181F96-L123 HydrophobicContact CD2-CD1 3.92Å; F96-L123 HydrophobicContact CD2-CD2 4.21Å; F96-L123 HydrophobicContact CE2-CD1 4.35Å; F96-L123 HydrophobicContact CE2-CD2 3.79Å; S110-L123 CarbonylContact O-C 3.47Å; S110-L123 WeakPolarHBondContact O-CA 3.49Å; W111-L123 HydrophobicContact CE3-CD2 4.15Å; L123-R125 VanDerWaalsContact C-N 3.29Å; L123-R125 WeakPolarHBondContact CB-O 3.18Å; L123-V126 HydrophobicContact CD1-CG1 4.36Å; L123-F179 PolarHBondContact N-O 3.25Å; L123-F179 PolarHBondContact O-N 2.85Å; L123-L181 HydrophobicContact CD1-CD1 3.67Å; L123-L181 HydrophobicContact CG-CD1 4.31Å
124K95.1Very high93.1Very high111 Ų11171 Ų7148%0.48336%0.356SS..SBendtrans-70.1-29.3171.1-62.2-176.5-179.9170.50111.9S110 D112S110-K124 PolarHBondContact O-N 3.44Å; D112-K124 HydrophobicContact CB-CG 3.85Å; D112-K124 WeakPolarHBondContact OD1-CE 3.47Å; D112-K124 WeakPolarHBondContact OD1-CG 3.09Å; D112-K124 IonicContact OD1-NZ 2.67Å
125R95.3Very high93.2Very high169 Ų16975.3 Ų75.364%0.63838%0.376SS*.  trans-143.5150.7-176.9-68.5-173.1-71.5-94.81110.3S110 L123S110-R125 PolarHBondContact OG-O 2.92Å; S110-R125 VanDerWaalsContact OG-O 3.1Å; L123-R125 VanDerWaalsContact C-N 3.29Å; L123-R125 WeakPolarHBondContact CB-O 3.18Å
126V97.1Very high93.4Very high32 Ų3277.8 Ų77.819%0.19439%0.394CS..  trans-129.5164170.3-65.60000108.9I105 L123 V130 F179I105-V126 WeakPolarHBondContact O-CB 3.49Å; L123-V126 HydrophobicContact CD1-CG1 4.36Å; V126-V130 HydrophobicContact CB-CB 4.24Å; V126-V130 HydrophobicContact CB-CG2 4.02Å; V126-V130 HydrophobicContact CG2-CB 3.88Å; V126-V130 HydrophobicContact CG2-CG1 4.27Å; V126-V130 HydrophobicContact CG2-CG2 4.23Å; V126-F179 HydrophobicContact CB-CD1 4.49Å; V126-F179 HydrophobicContact CB-CG 4.46Å; V126-F179 HydrophobicContact CG1-CB 3.69Å; V126-F179 HydrophobicContact CG1-CD1 3.99Å; V126-F179 HydrophobicContact CG1-CD2 4.13Å; V126-F179 HydrophobicContact CG1-CG 3.67Å; V126-F179 HydrophobicContact CG2-CD1 3.66Å; V126-F179 HydrophobicContact CG2-CD2 4.27Å; V126-F179 HydrophobicContact CG2-CE1 3.58Å; V126-F179 HydrophobicContact CG2-CE2 4.2Å; V126-F179 HydrophobicContact CG2-CG 4.02Å; V126-F179 HydrophobicContact CG2-CZ 3.86Å
127T97.7Very high93.8Very high47 Ų4776.1 Ų76.129%0.28838%0.383SS..  trans-75.5167.2175.763.90000111.7P104 I105 N129 V130P104-T127 PolarHBondContact O-OG1 3.32Å; I105-T127 WeakPolarHBondContact CA-OG1 3.23Å; I105-T127 PolarHBondContact O-N 2.81Å; I105-T127 PolarHBondContact O-OG1 2.87Å; I105-T127 VanDerWaalsContact O-OG1 3.07Å; T127-N129 PolarHBondContact O-N 2.79Å; T127-N129 WeakPolarHBondContact OG1-CB 3.39Å; T127-N129 PolarHBondContact OG1-N 3.38Å; T127-V130 PolarHBondContact O-N 2.83Å; T127-V130 VanDerWaalsContact O-N 3.13Å
128N97.5Very high94.2Very high136 Ų13676.3 Ų76.373%0.72738%0.376SS*.THydrogen-bonded Turntrans-66.83.1174.3-63.6-19.5000114.4V130 R155N128-V130 VanDerWaalsContact C-N 3.32Å; N128-R155 WeakPolarHBondContact O-CD 3.27Å; N128-R155 PolarHBondContact O-NH1 3.3Å
129N97.8Very high94.5Very high48 Ų4875.3 Ų75.326%0.25737%0.372SS..THydrogen-bonded Turntrans-86.1-5.5173.9-65.1-26.5000112.7L103 P104 T127 R155L103-N129 HydrophobicContact CD2-CB 3.51Å; L103-N129 HydrophobicContact CG-CB 3.88Å; P104-N129 WeakPolarHBondContact O-CB 3.33Å; P104-N129 PolarHBondContact O-ND2 2.76Å; T127-N129 PolarHBondContact O-N 2.79Å; T127-N129 WeakPolarHBondContact OG1-CB 3.39Å; T127-N129 PolarHBondContact OG1-N 3.38Å; N129-R155 WeakPolarHBondContact O-CB 3.35Å; N129-R155 PolarHBondContact O-N 3.02Å
130V98Very high94.3Very high16 Ų1678.1 Ų78.110%0.09738%0.383CS..EExtended strand (participates in β ladder)trans-106.9127.9172.4-175.70000108.7I105 V126 T127 N128 L152 L161I105-V130 HydrophobicContact CB-CG2 3.67Å; I105-V130 HydrophobicContact CG2-CG2 3.81Å; V126-V130 HydrophobicContact CB-CB 4.24Å; V126-V130 HydrophobicContact CB-CG2 4.02Å; V126-V130 HydrophobicContact CG2-CB 3.88Å; V126-V130 HydrophobicContact CG2-CG1 4.27Å; V126-V130 HydrophobicContact CG2-CG2 4.23Å; T127-V130 PolarHBondContact O-N 2.83Å; T127-V130 VanDerWaalsContact O-N 3.13Å; N128-V130 VanDerWaalsContact C-N 3.32Å; V130-L152 HydrophobicContact CG1-CB 3.9Å; V130-L152 HydrophobicContact CG1-CD2 4.01Å; V130-L152 HydrophobicContact CG1-CG 4.4Å; V130-L161 HydrophobicContact CG1-CD1 4.43Å; V130-L161 HydrophobicContact CG2-CD1 4.06Å
131I97.8Very high93.6Very high68 Ų6879.3 Ų79.335%0.34939%0.389SS..EExtended strand (participates in β ladder)trans-101.6131.8175.9-59173.9000107.7I153 R155I131-I153 HydrophobicContact CB-CB 4.44Å; I131-I153 PolarHBondContact N-O 3.04Å; I131-I153 PolarHBondContact O-N 2.84Å; I131-R155 HydrophobicContact CD1-CB 3.97Å; I131-R155 HydrophobicContact CD1-CG 4.04Å; I131-R155 HydrophobicContact CG1-CB 3.99Å; I131-R155 HydrophobicContact CG1-CG 4.35Å
132I96.3Very high92.6Very high93 Ų9382.4 Ų82.448%0.47741%0.405SS..EExtended strand (participates in β ladder)trans-80.4124.2167.6-58.5174.5000107.2V150 L152 V164 F179I132-V150 HydrophobicContact CG2-CB 4.23Å; I132-V150 HydrophobicContact CG2-CG1 3.54Å; I132-L152 HydrophobicContact CG1-CD2 4.06Å; I132-V164 HydrophobicContact CG2-CG1 4.28Å; I132-F179 HydrophobicContact CD1-CE1 4.14Å; I132-F179 HydrophobicContact CG1-CE1 4.37Å
133G94.1Very high91.6Very high18 Ų1890.6 Ų90.619%0.18644%0.441CS..EExtended strand (participates in β ladder)trans-57.3166.3177.400000112.6V150 D151G133-V150 WeakPolarHBondContact O-CG1 3.39Å; G133-D151 PolarHBondContact N-O 2.79Å
134K92.4Very high90.5Very high202 Ų20299.6 Ų99.688%0.87848%0.483SS*.EExtended strand (participates in β ladder)trans-91.2-29.8176.2-64.3-178.6-178.5179.40112.1
135D91.8Very high89.8Confident131 Ų13194.9 Ų94.970%0.70146%0.464SS*.EExtended strand (participates in β ladder)trans-89.7126.6-172.3-56.5-39.4000110.6
136T93.3Very high89.4Confident89 Ų8989.4 Ų89.455%0.54646%0.455SS..EExtended strand (participates in β ladder)trans-91.4134.5172.751.80000110V149 V150T136-V149 CarbonylContact C-O 3.57Å; T136-V149 WeakPolarHBondContact CA-O 3.32Å; T136-V150 HydrophobicContact CG2-CG2 3.5Å
137H91Very high89.2Confident67 Ų6787.9 Ų87.931%0.3145%0.446SS..EExtended strand (participates in β ladder)trans-124158.5173.857.4-81.6000111.5V149 D151H137-V149 WeakPolarHBondContact CD2-CG2 3.32Å; H137-V149 PolarHBondContact N-O 2.86Å; H137-V149 PolarHBondContact ND1-O 3.25Å; H137-V149 WeakPolarHBondContact NE2-CG2 3.26Å; H137-V149 VanDerWaalsContact O-CG2 3.26Å; H137-V149 WeakPolarHBondContact O-CG2 3.41Å; H137-V149 PolarHBondContact O-N 3.14Å; H137-D151 IonicContact CE1-OD1 3.09Å; H137-D151 PolarHBondContact CE1-OD1 3.24Å; H137-D151 IonicContact ND1-OD1 3.93Å; H137-D151 IonicContact NE2-OD1 3.77Å
138F90.4Very high88.9Confident164 Ų16488 Ų8872%0.71944%0.444SS*.EExtended strand (participates in β ladder)trans-86.1128.5176.7-73.5-86.6000110.1A146 C147 L148F138-A146 HydrophobicContact CD1-CB 4.5Å; F138-C147 WeakPolarHBondContact CA-O 3.48Å; F138-L148 HydrophobicContact CD1-CD2 3.56Å; F138-L148 HydrophobicContact CD2-CD2 4.26Å; F138-L148 HydrophobicContact CE1-CD2 3.39Å; F138-L148 HydrophobicContact CE1-CG 4.38Å; F138-L148 HydrophobicContact CE2-CD2 4.1Å; F138-L148 HydrophobicContact CG-CD2 4.01Å; F138-L148 HydrophobicContact CZ-CD2 3.68Å
139L88.3Confident88.8Confident39 Ų3981.5 Ų81.520%0.20441%0.41CS..EExtended strand (participates in β ladder)trans-108.7111.6168.5-174.669.7000109.1M141 A146 C147 V149 M163 Y165L139-M141 HydrophobicContact CD2-CE 4.29Å; L139-M141 HydrophobicContact CD2-CG 4.44Å; L139-A146 WeakPolarHBondContact O-CA 3.34Å; L139-C147 PolarHBondContact N-O 3.49Å; L139-C147 PolarHBondContact O-N 2.94Å; L139-V149 HydrophobicContact CB-CG1 4.24Å; L139-V149 HydrophobicContact CB-CG2 3.81Å; L139-V149 HydrophobicContact CD2-CG1 4.38Å; L139-M163 HydrophobicContact CD2-CE 3.55Å; L139-M163 HydrophobicContact CD2-SD 4.19Å; L139-Y165 HydrophobicContact CD2-CE1 3.81Å; L139-Y165 WeakPolarHBondContact CD2-OH 3.4Å
140E86.8Confident88.7Confident145 Ų14579.6 Ų79.668%0.67840%0.4SS*.EExtended strand (participates in β ladder)trans-80.4119.4171.9-167175.3-178.700109.1
141M78.8Confident88.6Confident49 Ų4981.3 Ų81.324%0.24141%0.408CS..EExtended strand (participates in β ladder)trans-98.2-37.9-179.8-78141.4146.900112.1L139 S145 C147 Y165 L172 K175L139-M141 HydrophobicContact CD2-CE 4.29Å; L139-M141 HydrophobicContact CD2-CG 4.44Å; M141-S145 PolarHBondContact N-O 2.89Å; M141-S145 VanDerWaalsContact N-O 3.09Å; M141-C147 HydrophobicContact CE-CB 4.29Å; M141-C147 HydrophobicContact SD-CB 3.95Å; M141-C147 PolarHBondContact SD-SG 2.86Å; M141-Y165 HydrophobicContact CE-CD1 4.12Å; M141-Y165 HydrophobicContact CE-CE1 3.17Å; M141-Y165 VanDerWaalsContact CE-CZ 3.43Å; M141-Y165 VanDerWaalsContact CE-OH 3.26Å; M141-Y165 WeakPolarHBondContact CE-OH 3.34Å; M141-Y165 HydrophobicContact SD-CE1 4.48Å; M141-L172 HydrophobicContact CB-CD1 4.49Å; M141-L172 HydrophobicContact CE-CD1 3.92Å; M141-L172 HydrophobicContact CG-CD1 4.45Å; M141-L172 HydrophobicContact SD-CD1 3.23Å; M141-L172 WeakPolarHBondContact SD-CD1 3.49Å; M141-K175 HydrophobicContact CE-CD 4.02Å
142N74.2Confident88.6Confident80 Ų8078.1 Ų78.143%0.42839%0.392SS..EExtended strand (participates in β ladder)trans-150.3173.2171.761.435.2000108.8Q144 S145N142-Q144 PolarHBondContact O-N 3.37Å; N142-Q144 PolarHBondContact OD1-N 3.15Å; N142-Q144 VanDerWaalsContact OD1-N 3.14Å; N142-S145 PolarHBondContact ND2-OG 3.26Å; N142-S145 VanDerWaalsContact ND2-OG 3.11Å; N142-S145 PolarHBondContact O-N 3.44Å; N142-S145 WeakPolarHBondContact OD1-CB 3.41Å; N142-S145 PolarHBondContact OD1-N 3.11Å; N142-S145 PolarHBondContact OD1-OG 3.38Å
143K74.6Confident88.7Confident199 Ų19975.8 Ų75.887%0.86538%0.38SS*.THydrogen-bonded Turntrans-56.5-7.1-175.7-61.1-177.6179.4-179.40115.4
144Q72.9Confident88.9Confident189 Ų18975 Ų7588%0.88337%0.371SS*.THydrogen-bonded Turntrans-133.8-1.6-172.7-71.6164-5.100113.6N142N142-Q144 PolarHBondContact O-N 3.37Å; N142-Q144 PolarHBondContact OD1-N 3.15Å; N142-Q144 VanDerWaalsContact OD1-N 3.14Å
145S80.2Confident89.2Confident11 Ų1172.2 Ų72.28%0.07736%0.356CS..EExtended strand (participates in β ladder)trans-140.5126-179.262.60000111.8M141 N142M141-S145 PolarHBondContact N-O 2.89Å; M141-S145 VanDerWaalsContact N-O 3.09Å; N142-S145 PolarHBondContact ND2-OG 3.26Å; N142-S145 VanDerWaalsContact ND2-OG 3.11Å; N142-S145 PolarHBondContact O-N 3.44Å; N142-S145 WeakPolarHBondContact OD1-CB 3.41Å; N142-S145 PolarHBondContact OD1-N 3.11Å; N142-S145 PolarHBondContact OD1-OG 3.38Å
146A87.6Confident89.5Confident54 Ų5469.5 Ų69.545%0.44635%0.347SS..EExtended strand (participates in β ladder)trans-120.8144.5173.800000109.2F138 L139F138-A146 HydrophobicContact CD1-CB 4.5Å; L139-A146 WeakPolarHBondContact O-CA 3.34Å
147C91Very high89.7Confident1 Ų166.6 Ų66.61%0.00733%0.33CS..EExtended strand (participates in β ladder)trans-114.1155.1173-71.50000110.3F138 L139 M141 Y165 S167 P169F138-C147 WeakPolarHBondContact CA-O 3.48Å; L139-C147 PolarHBondContact N-O 3.49Å; L139-C147 PolarHBondContact O-N 2.94Å; M141-C147 HydrophobicContact CE-CB 4.29Å; M141-C147 HydrophobicContact SD-CB 3.95Å; M141-C147 PolarHBondContact SD-SG 2.86Å; C147-Y165 HydrophobicContact CB-CD1 3.78Å; C147-Y165 HydrophobicContact CB-CE1 3.99Å; C147-S167 WeakPolarHBondContact CA-O 3.38Å; C147-S167 WeakPolarHBondContact CB-O 3.46Å; C147-P169 WeakPolarHBondContact SG-CD 3.46Å
148L92.8Very high90Very high49 Ų4971.9 Ų71.926%0.25735%0.348SS..EExtended strand (participates in β ladder)trans-94.6131.7164.1-63175.5000108.7F138 T166 S167F138-L148 HydrophobicContact CD1-CD2 3.56Å; F138-L148 HydrophobicContact CD2-CD2 4.26Å; F138-L148 HydrophobicContact CE1-CD2 3.39Å; F138-L148 HydrophobicContact CE1-CG 4.38Å; F138-L148 HydrophobicContact CE2-CD2 4.1Å; F138-L148 HydrophobicContact CG-CD2 4.01Å; F138-L148 HydrophobicContact CZ-CD2 3.68Å; L148-T166 WeakPolarHBondContact CB-OG1 3.08Å; L148-T166 PolarHBondContact O-N 3.12Å; L148-T166 PolarHBondContact O-OG1 3Å; L148-S167 PolarHBondContact N-O 2.63Å; L148-S167 PolarHBondContact O-N 3.43Å
149V94Very high90.3Very high0 Ų065.2 Ų65.20%032%0.322CS..EExtended strand (participates in β ladder)trans-131.6154-178.6-73.70000110.1T136 H137 L139 M163 V164 Y165T136-V149 CarbonylContact C-O 3.57Å; T136-V149 WeakPolarHBondContact CA-O 3.32Å; H137-V149 WeakPolarHBondContact CD2-CG2 3.32Å; H137-V149 PolarHBondContact N-O 2.86Å; H137-V149 PolarHBondContact ND1-O 3.25Å; H137-V149 WeakPolarHBondContact NE2-CG2 3.26Å; H137-V149 VanDerWaalsContact O-CG2 3.26Å; H137-V149 WeakPolarHBondContact O-CG2 3.41Å; H137-V149 PolarHBondContact O-N 3.14Å; L139-V149 HydrophobicContact CB-CG1 4.24Å; L139-V149 HydrophobicContact CB-CG2 3.81Å; L139-V149 HydrophobicContact CD2-CG1 4.38Å; V149-M163 HydrophobicContact CB-CB 4.41Å; V149-M163 HydrophobicContact CB-SD 4.36Å; V149-M163 HydrophobicContact CG1-SD 4.2Å; V149-M163 HydrophobicContact CG2-SD 4.45Å; V149-V164 VanDerWaalsContact CA-O 3.27Å; V149-V164 WeakPolarHBondContact CA-O 3.38Å; V149-Y165 HydrophobicContact CG1-CD1 3.29Å; V149-Y165 HydrophobicContact CG1-CE1 3.46Å; V149-Y165 VanDerWaalsContact CG1-CE1 3.46Å; V149-Y165 HydrophobicContact CG1-CG 4.03Å
150V96.3Very high90.7Very high7 Ų768 Ų684%0.04234%0.337CS..EExtended strand (participates in β ladder)trans-127.8140.5175.9178.70000108.6I132 G133 T136 M163 V164 T166I132-V150 HydrophobicContact CG2-CB 4.23Å; I132-V150 HydrophobicContact CG2-CG1 3.54Å; G133-V150 WeakPolarHBondContact O-CG1 3.39Å; T136-V150 HydrophobicContact CG2-CG2 3.5Å; V150-M163 CarbonylContact O-C 3.49Å; V150-M163 WeakPolarHBondContact O-CA 3.32Å; V150-M163 WeakPolarHBondContact O-CB 3.5Å; V150-V164 HydrophobicContact CB-CG1 4.15Å; V150-V164 PolarHBondContact N-O 3.01Å; V150-V164 PolarHBondContact O-N 2.93Å; V150-T166 HydrophobicContact CB-CG2 4.28Å; V150-T166 HydrophobicContact CG2-CG2 3.55Å
151D96.8Very high91.2Very high53 Ų5361.1 Ų61.128%0.28331%0.305SS..EExtended strand (participates in β ladder)trans-66.7145.3-179.3-73.7-28.1000112.8G133 H137 I153 L160G133-D151 PolarHBondContact N-O 2.79Å; H137-D151 IonicContact CE1-OD1 3.09Å; H137-D151 PolarHBondContact CE1-OD1 3.24Å; H137-D151 IonicContact ND1-OD1 3.93Å; H137-D151 IonicContact NE2-OD1 3.77Å; D151-I153 HydrophobicContact CB-CG1 4.35Å; D151-L160 HydrophobicContact CB-CD1 3.57Å; D151-L160 VanDerWaalsContact CG-CD1 3.48Å
152L97.6Very high92.1Very high0 Ų059.2 Ų59.20%030%0.298CS..EExtended strand (participates in β ladder)trans-102.9122.8168.4-62.2176.5000109V130 I132 L161 G162 M163 V164 F179 L181V130-L152 HydrophobicContact CG1-CB 3.9Å; V130-L152 HydrophobicContact CG1-CD2 4.01Å; V130-L152 HydrophobicContact CG1-CG 4.4Å; I132-L152 HydrophobicContact CG1-CD2 4.06Å; L152-L161 HydrophobicContact CB-CB 4.44Å; L152-L161 PolarHBondContact O-N 3.49Å; L152-G162 PolarHBondContact N-O 2.85Å; L152-M163 WeakPolarHBondContact CD1-O 2.88Å; L152-V164 HydrophobicContact CD2-CB 4.32Å; L152-V164 HydrophobicContact CD2-CG1 4.11Å; L152-F179 HydrophobicContact CD1-CB 4.05Å; L152-F179 HydrophobicContact CD1-CD1 3.9Å; L152-F179 HydrophobicContact CD1-CG 4.5Å; L152-F179 HydrophobicContact CD2-CD1 3.74Å; L152-F179 HydrophobicContact CD2-CE1 4.11Å; L152-F179 HydrophobicContact CG-CD1 4.49Å; L152-L181 HydrophobicContact CD1-CD2 3.95Å
153I98.1Very high93.1Very high45 Ų4556.3 Ų56.323%0.23128%0.281CS..EExtended strand (participates in β ladder)trans-119.8135.9-171.6-58.5172.3000109.7I131 D151 R155 Y158I131-I153 HydrophobicContact CB-CB 4.44Å; I131-I153 PolarHBondContact N-O 3.04Å; I131-I153 PolarHBondContact O-N 2.84Å; D151-I153 HydrophobicContact CB-CG1 4.35Å; I153-R155 PolarHBondContact O-N 3.21Å; I153-Y158 HydrophobicContact CG2-CD1 4.42Å
154C98.4Very high94.1Very high0 Ų047.4 Ų47.40%024%0.244CC..EExtended strand (participates in β ladder)trans-67.4126.5172.9-177.60000110.8C101 S156 Y158 S159 L161C101-C154 PolarHBondContact SG-SG 3.05Å; C154-S156 VanDerWaalsContact C-N 3.3Å; C154-S156 PolarHBondContact O-N 3.47Å; C154-Y158 WeakPolarHBondContact O-CA 3.44Å; C154-Y158 PolarHBondContact O-N 2.8Å; C154-S159 PolarHBondContact N-O 3.04Å; C154-L161 HydrophobicContact CB-CD1 3.8Å; C154-L161 HydrophobicContact CB-CD2 4.15Å; C154-L161 HydrophobicContact CB-CG 3.99Å
155R97.9Very high95Very high145 Ų14538.4 Ų38.455%0.54720%0.202SC..THydrogen-bonded Turntrans-61.2-33.5-179.9-178.8168.3-173.1159.72.1114.4N128 N129 I131 I153N128-R155 WeakPolarHBondContact O-CD 3.27Å; N128-R155 PolarHBondContact O-NH1 3.3Å; N129-R155 WeakPolarHBondContact O-CB 3.35Å; N129-R155 PolarHBondContact O-N 3.02Å; I131-R155 HydrophobicContact CD1-CB 3.97Å; I131-R155 HydrophobicContact CD1-CG 4.04Å; I131-R155 HydrophobicContact CG1-CB 3.99Å; I131-R155 HydrophobicContact CG1-CG 4.35Å; I153-R155 PolarHBondContact O-N 3.21Å
156S97.8Very high95.5Very high74 Ų7441.2 Ų41.252%0.51722%0.218SC..THydrogen-bonded Turntrans-84-46.5-175.2168.40000112.9C154C154-S156 VanDerWaalsContact C-N 3.3Å; C154-S156 PolarHBondContact O-N 3.47Å
157C97.6Very high95.6Very high28 Ų2841.5 Ų41.519%0.18922%0.217CC..THydrogen-bonded Turntrans-115.85-171.871.40000115C98 K100 C101 S159C98-C157 VanDerWaalsContact SG-SG 3.67Å; K100-C157 HydrophobicContact CD-CB 4.31Å; C101-C157 HydrophobicContact CB-CB 3.72Å; C101-C157 PolarHBondContact SG-SG 2.86Å; C157-S159 PolarHBondContact O-N 2.81Å; C157-S159 PolarHBondContact SG-OG 3.07Å
158Y97.3Very high95.6Very high177 Ų17742.3 Ų42.369%0.69422%0.222SC*.  trans55.418.9177.6-57.4-83.7000115.1I153 C154I153-Y158 HydrophobicContact CG2-CD1 4.42Å; C154-Y158 WeakPolarHBondContact O-CA 3.44Å; C154-Y158 PolarHBondContact O-N 2.8Å
159S97.1Very high95.5Very high25 Ų2541.8 Ų41.818%0.17522%0.222CC..  trans-73.8143.9173.762.70000110.9C154 C157 L161C154-S159 PolarHBondContact N-O 3.04Å; C157-S159 PolarHBondContact O-N 2.81Å; C157-S159 PolarHBondContact SG-OG 3.07Å; S159-L161 PolarHBondContact O-N 3.46Å
160L97.4Very high95.3Very high98 Ų9853.2 Ų53.251%0.51327%0.265SS..EExtended strand (participates in β ladder)trans-63.9127.3168.6-173.967.1000110.1D151 G162 S185D151-L160 HydrophobicContact CB-CD1 3.57Å; D151-L160 VanDerWaalsContact CG-CD1 3.48Å; L160-G162 WeakPolarHBondContact CD1-O 3.44Å; L160-S185 WeakPolarHBondContact O-CB 3.47Å
161L97.7Very high94.8Very high0 Ų057.6 Ų57.60%029%0.288CS..EExtended strand (participates in β ladder)trans-107.3-19.2179.2-63176.3000112.7C98 I105 V130 L152 C154 S159 L181 S182 S185 I186C98-L161 HydrophobicContact CB-CD2 4.16Å; I105-L161 HydrophobicContact CD1-CD1 4.23Å; I105-L161 HydrophobicContact CD1-CD2 4.43Å; I105-L161 HydrophobicContact CG2-CD1 3.83Å; V130-L161 HydrophobicContact CG1-CD1 4.43Å; V130-L161 HydrophobicContact CG2-CD1 4.06Å; L152-L161 HydrophobicContact CB-CB 4.44Å; L152-L161 PolarHBondContact O-N 3.49Å; C154-L161 HydrophobicContact CB-CD1 3.8Å; C154-L161 HydrophobicContact CB-CD2 4.15Å; C154-L161 HydrophobicContact CB-CG 3.99Å; S159-L161 PolarHBondContact O-N 3.46Å; L161-L181 HydrophobicContact CB-CD2 4.2Å; L161-L181 CarbonylContact O-C 3.52Å; L161-L181 WeakPolarHBondContact O-CA 3.25Å; L161-S182 PolarHBondContact O-N 3.01Å; L161-S185 WeakPolarHBondContact CA-OG 3.38Å; L161-S185 PolarHBondContact O-OG 3.04Å; L161-I186 HydrophobicContact CD2-CG2 4.42Å
162G96.3Very high94.4Very high9 Ų956.1 Ų56.19%0.09328%0.28CS..EExtended strand (participates in β ladder)trans152.4-148.2-174.200000111.5L152 L160 C180L152-G162 PolarHBondContact N-O 2.85Å; L160-G162 WeakPolarHBondContact CD1-O 3.44Å; G162-C180 CarbonylContact C-O 3.48Å; G162-C180 VanDerWaalsContact CA-O 3.27Å; G162-C180 WeakPolarHBondContact CA-O 3.24Å
163M95.4Very high94Very high18 Ų1859.2 Ų59.29%0.08930%0.296CS..EExtended strand (participates in β ladder)trans-151.2165.3-174.863.7-168-177.700112.8L139 V149 V150 L152 C180L139-M163 HydrophobicContact CD2-CE 3.55Å; L139-M163 HydrophobicContact CD2-SD 4.19Å; V149-M163 HydrophobicContact CB-CB 4.41Å; V149-M163 HydrophobicContact CB-SD 4.36Å; V149-M163 HydrophobicContact CG1-SD 4.2Å; V149-M163 HydrophobicContact CG2-SD 4.45Å; V150-M163 CarbonylContact O-C 3.49Å; V150-M163 WeakPolarHBondContact O-CA 3.32Å; V150-M163 WeakPolarHBondContact O-CB 3.5Å; L152-M163 WeakPolarHBondContact CD1-O 2.88Å; M163-C180 HydrophobicContact CG-CB 4.41Å; M163-C180 PolarHBondContact N-O 3.47Å; M163-C180 WeakPolarHBondContact O-CA 3.33Å; M163-C180 WeakPolarHBondContact O-CB 3.22Å; M163-C180 PolarHBondContact O-N 3.17Å; M163-C180 VanDerWaalsContact O-O 3.12Å
164V95.1Very high93.4Very high12 Ų1263 Ų637%0.07331%0.313CS..EExtended strand (participates in β ladder)trans-129.4136.4171.558.60000110I132 V149 V150 L152 T166 T178I132-V164 HydrophobicContact CG2-CG1 4.28Å; V149-V164 VanDerWaalsContact CA-O 3.27Å; V149-V164 WeakPolarHBondContact CA-O 3.38Å; V150-V164 HydrophobicContact CB-CG1 4.15Å; V150-V164 PolarHBondContact N-O 3.01Å; V150-V164 PolarHBondContact O-N 2.93Å; L152-V164 HydrophobicContact CD2-CB 4.32Å; L152-V164 HydrophobicContact CD2-CG1 4.11Å; V164-T166 PolarHBondContact O-N 2.77Å; V164-T178 WeakPolarHBondContact CG2-O 3.43Å
165Y92.1Very high92.7Very high1 Ų163.9 Ų63.90%0.00432%0.317CS..EExtended strand (participates in β ladder)trans-76.8117.6175.7-66.7-77.7000111Q118 L139 M141 C147 V149 T168 K175 S177 C180Q118-Y165 PolarHBondContact OE1-OH 2.8Å; L139-Y165 HydrophobicContact CD2-CE1 3.81Å; L139-Y165 WeakPolarHBondContact CD2-OH 3.4Å; M141-Y165 HydrophobicContact CE-CD1 4.12Å; M141-Y165 HydrophobicContact CE-CE1 3.17Å; M141-Y165 VanDerWaalsContact CE-CZ 3.43Å; M141-Y165 VanDerWaalsContact CE-OH 3.26Å; M141-Y165 WeakPolarHBondContact CE-OH 3.34Å; M141-Y165 HydrophobicContact SD-CE1 4.48Å; C147-Y165 HydrophobicContact CB-CD1 3.78Å; C147-Y165 HydrophobicContact CB-CE1 3.99Å; V149-Y165 HydrophobicContact CG1-CD1 3.29Å; V149-Y165 HydrophobicContact CG1-CE1 3.46Å; V149-Y165 VanDerWaalsContact CG1-CE1 3.46Å; V149-Y165 HydrophobicContact CG1-CG 4.03Å; Y165-T168 HydrophobicContact CD1-CG2 4.18Å; Y165-T168 HydrophobicContact CG-CG2 4.17Å; Y165-K175 HydrophobicContact CD2-CB 3.9Å; Y165-K175 HydrophobicContact CE2-CB 4.13Å; Y165-K175 HydrophobicContact CE2-CD 4.27Å; Y165-K175 HydrophobicContact CG-CB 4.39Å; Y165-S177 PolarHBondContact O-N 2.67Å; Y165-C180 VanDerWaalsContact CE2-SG 3.56Å
166T90.9Very high92.2Very high69 Ų6962.4 Ų62.442%0.42331%0.311SS..EExtended strand (participates in β ladder)trans-96.6-37177.856.10000112.4L148 V150 V164L148-T166 WeakPolarHBondContact CB-OG1 3.08Å; L148-T166 PolarHBondContact O-N 3.12Å; L148-T166 PolarHBondContact O-OG1 3Å; V150-T166 HydrophobicContact CB-CG2 4.28Å; V150-T166 HydrophobicContact CG2-CG2 3.55Å; V164-T166 PolarHBondContact O-N 2.77Å
167S89.9Confident91.3Very high60 Ų6062.8 Ų62.842%0.4231%0.314SS..EExtended strand (participates in β ladder)trans-133.2129.9173.6-174.90000110.4C147 L148C147-S167 WeakPolarHBondContact CA-O 3.38Å; C147-S167 WeakPolarHBondContact CB-O 3.46Å; L148-S167 PolarHBondContact N-O 2.63Å; L148-S167 PolarHBondContact O-N 3.43Å
168T90.8Very high91Very high18 Ų1862 Ų6211%0.1131%0.308CS..  trans-133.2140.7-177.347.40000110Y165 D173 R176Y165-T168 HydrophobicContact CD1-CG2 4.18Å; Y165-T168 HydrophobicContact CG-CG2 4.17Å; T168-D173 PolarHBondContact OG1-OD1 3.37Å; T168-D173 VanDerWaalsContact OG1-OD1 3.04Å; T168-R176 HydrophobicContact CG2-CB 4.28Å
169P90.3Very high91Very high39 Ų3955.3 Ų55.325%0.25328%0.283SS..  trans-67.1161.516828.6-31.3000110.5C147 N171 L172 D173C147-P169 WeakPolarHBondContact SG-CD 3.46Å; P169-N171 WeakPolarHBondContact CB-OD1 3.19Å; P169-N171 WeakPolarHBondContact CG-OD1 2.98Å; P169-N171 PolarHBondContact O-N 3.06Å; P169-N171 VanDerWaalsContact O-N 3.11Å; P169-L172 HydrophobicContact CG-CB 4.18Å; P169-L172 HydrophobicContact CG-CD1 3.83Å; P169-L172 HydrophobicContact CG-CG 4.14Å; P169-L172 CarbonylContact O-C 3.58Å; P169-L172 WeakPolarHBondContact O-CA 3.25Å; P169-L172 PolarHBondContact O-N 3.17Å; P169-D173 PolarHBondContact O-N 2.97Å
170R90Very high90.9Very high240 Ų24054.1 Ų54.191%0.90628%0.275SS*.G310 helixtrans-55.3-36-170.8-167.4-178.8-169.5-157.23.2114.1L172R170-L172 PolarHBondContact O-N 3.5Å
171N86.9Confident90.9Very high99 Ų9949.5 Ų49.553%0.52925%0.25SS..G310 helixtrans-70.7-1517862.6-37000113.5P169 H174P169-N171 WeakPolarHBondContact CB-OD1 3.19Å; P169-N171 WeakPolarHBondContact CG-OD1 2.98Å; P169-N171 PolarHBondContact O-N 3.06Å; P169-N171 VanDerWaalsContact O-N 3.11Å; N171-H174 PolarHBondContact O-CE1 3.08Å; N171-H174 PolarHBondContact O-ND1 3.08Å
172L87.7Confident90.8Very high21 Ų2151.1 Ų51.111%0.1126%0.262CS..G310 helixtrans-117.510.6-178.4-60.4179.3000112.9M141 P169 R170 H174 K175M141-L172 HydrophobicContact CB-CD1 4.49Å; M141-L172 HydrophobicContact CE-CD1 3.92Å; M141-L172 HydrophobicContact CG-CD1 4.45Å; M141-L172 HydrophobicContact SD-CD1 3.23Å; M141-L172 WeakPolarHBondContact SD-CD1 3.49Å; P169-L172 HydrophobicContact CG-CB 4.18Å; P169-L172 HydrophobicContact CG-CD1 3.83Å; P169-L172 HydrophobicContact CG-CG 4.14Å; P169-L172 CarbonylContact O-C 3.58Å; P169-L172 WeakPolarHBondContact O-CA 3.25Å; P169-L172 PolarHBondContact O-N 3.17Å; R170-L172 PolarHBondContact O-N 3.5Å; L172-H174 PolarHBondContact O-N 3.16Å; L172-H174 VanDerWaalsContact O-N 3.14Å; L172-K175 HydrophobicContact CD2-CD 4.5Å; L172-K175 WeakPolarHBondContact O-CB 3.31Å; L172-K175 PolarHBondContact O-N 3.2Å
173D89.3Confident90.8Very high65 Ų6552.5 Ų52.535%0.34827%0.268SS..G310 helixtrans-63.4-24.8-175.1-14646.5000113.1T168 P169 K175 R176T168-D173 PolarHBondContact OG1-OD1 3.37Å; T168-D173 VanDerWaalsContact OG1-OD1 3.04Å; P169-D173 PolarHBondContact O-N 2.97Å; D173-K175 PolarHBondContact O-N 2.81Å; D173-R176 VanDerWaalsContact O-CB 3.23Å; D173-R176 WeakPolarHBondContact O-CB 3.34Å; D173-R176 PolarHBondContact O-N 2.91Å; D173-R176 VanDerWaalsContact O-N 3.09Å; D173-R176 IonicContact OD1-CZ 3.57Å; D173-R176 IonicContact OD1-NH1 2.64Å; D173-R176 PolarHBondContact OD1-NH1 2.96Å; D173-R176 IonicContact OD2-CZ 3.57Å; D173-R176 IonicContact OD2-NH1 2.73Å; D173-R176 PolarHBondContact OD2-NH1 2.81Å; D173-R176 IonicContact OD2-NH2 3.87Å
174H85.1Confident90.8Very high124 Ų12453.5 Ų53.557%0.57428%0.28SS*.G310 helixtrans-64.8-14.4172.668.1-87.2000113.8N171 L172N171-H174 PolarHBondContact O-CE1 3.08Å; N171-H174 PolarHBondContact O-ND1 3.08Å; L172-H174 PolarHBondContact O-N 3.16Å; L172-H174 VanDerWaalsContact O-N 3.14Å
175K84.6Confident90.8Very high19 Ų1954 Ų548%0.08328%0.284CS..G310 helixtrans-91.4-15.9174.4-58.3-169.5173.7-1660112.8E115 M141 Y165 L172 D173 T178E115-K175 WeakPolarHBondContact OE1-CE 3.27Å; E115-K175 IonicContact OE1-NZ 3.87Å; E115-K175 PolarHBondContact OE1-NZ 2.74Å; E115-K175 IonicContact OE2-NZ 2.58Å; E115-K175 PolarHBondContact OE2-NZ 3.41Å; M141-K175 HydrophobicContact CE-CD 4.02Å; Y165-K175 HydrophobicContact CD2-CB 3.9Å; Y165-K175 HydrophobicContact CE2-CB 4.13Å; Y165-K175 HydrophobicContact CE2-CD 4.27Å; Y165-K175 HydrophobicContact CG-CB 4.39Å; L172-K175 HydrophobicContact CD2-CD 4.5Å; L172-K175 WeakPolarHBondContact O-CB 3.31Å; L172-K175 PolarHBondContact O-N 3.2Å; D173-K175 PolarHBondContact O-N 2.81Å; K175-T178 PolarHBondContact O-OG1 3.46Å
176R86.6Confident91Very high114 Ų11454.7 Ų54.743%0.4329%0.287SS..THydrogen-bonded Turntrans-61143.9-175-161.2178.369.5-138.5-3.5110.7T168 D173 T178T168-R176 HydrophobicContact CG2-CB 4.28Å; D173-R176 VanDerWaalsContact O-CB 3.23Å; D173-R176 WeakPolarHBondContact O-CB 3.34Å; D173-R176 PolarHBondContact O-N 2.91Å; D173-R176 VanDerWaalsContact O-N 3.09Å; D173-R176 IonicContact OD1-CZ 3.57Å; D173-R176 IonicContact OD1-NH1 2.64Å; D173-R176 PolarHBondContact OD1-NH1 2.96Å; D173-R176 IonicContact OD2-CZ 3.57Å; D173-R176 IonicContact OD2-NH1 2.73Å; D173-R176 PolarHBondContact OD2-NH1 2.81Å; D173-R176 IonicContact OD2-NH2 3.87Å; R176-T178 PolarHBondContact O-N 2.94Å; R176-T178 VanDerWaalsContact O-N 3.13Å
177S79.8Confident91.2Very high83 Ų8353.9 Ų53.958%0.5828%0.28SS*.THydrogen-bonded Turntrans61.122.2172.3-52.70000115Y165Y165-S177 PolarHBondContact O-N 2.67Å
178T91.6Very high91.3Very high11 Ų1154.2 Ų54.27%0.06728%0.282CS..  trans-107.9140.5171.361.90000110D112 V164 K175 R176 C180D112-T178 WeakPolarHBondContact OD2-CG2 3.43Å; V164-T178 WeakPolarHBondContact CG2-O 3.43Å; K175-T178 PolarHBondContact O-OG1 3.46Å; R176-T178 PolarHBondContact O-N 2.94Å; R176-T178 VanDerWaalsContact O-N 3.13Å; T178-C180 PolarHBondContact O-N 3.12Å
179F95.9Very high91.3Very high37 Ų3758.5 Ų58.516%0.16230%0.298CS..EExtended strand (participates in β ladder)trans-84111.1179.2-65-88000109K122 L123 V126 I132 L152K122-F179 WeakPolarHBondContact CA-O 3.46Å; L123-F179 PolarHBondContact N-O 3.25Å; L123-F179 PolarHBondContact O-N 2.85Å; V126-F179 HydrophobicContact CB-CD1 4.49Å; V126-F179 HydrophobicContact CB-CG 4.46Å; V126-F179 HydrophobicContact CG1-CB 3.69Å; V126-F179 HydrophobicContact CG1-CD1 3.99Å; V126-F179 HydrophobicContact CG1-CD2 4.13Å; V126-F179 HydrophobicContact CG1-CG 3.67Å; V126-F179 HydrophobicContact CG2-CD1 3.66Å; V126-F179 HydrophobicContact CG2-CD2 4.27Å; V126-F179 HydrophobicContact CG2-CE1 3.58Å; V126-F179 HydrophobicContact CG2-CE2 4.2Å; V126-F179 HydrophobicContact CG2-CG 4.02Å; V126-F179 HydrophobicContact CG2-CZ 3.86Å; I132-F179 HydrophobicContact CD1-CE1 4.14Å; I132-F179 HydrophobicContact CG1-CE1 4.37Å; L152-F179 HydrophobicContact CD1-CB 4.05Å; L152-F179 HydrophobicContact CD1-CD1 3.9Å; L152-F179 HydrophobicContact CD1-CG 4.5Å; L152-F179 HydrophobicContact CD2-CD1 3.74Å; L152-F179 HydrophobicContact CD2-CE1 4.11Å; L152-F179 HydrophobicContact CG-CD1 4.49Å
180C95.6Very high91.3Very high0 Ų057.7 Ų57.70%029%0.292CS..EExtended strand (participates in β ladder)trans-97.1107.1-179-49.50000109.5I121 G162 M163 Y165 T178I121-C180 CarbonylContact O-C 3.5Å; I121-C180 WeakPolarHBondContact O-CA 3.44Å; G162-C180 CarbonylContact C-O 3.48Å; G162-C180 VanDerWaalsContact CA-O 3.27Å; G162-C180 WeakPolarHBondContact CA-O 3.24Å; M163-C180 HydrophobicContact CG-CB 4.41Å; M163-C180 PolarHBondContact N-O 3.47Å; M163-C180 WeakPolarHBondContact O-CA 3.33Å; M163-C180 WeakPolarHBondContact O-CB 3.22Å; M163-C180 PolarHBondContact O-N 3.17Å; M163-C180 VanDerWaalsContact O-O 3.12Å; Y165-C180 VanDerWaalsContact CE2-SG 3.56Å; T178-C180 PolarHBondContact O-N 3.12Å
181L97.1Very high91.2Very high0 Ų050 Ų500%027%0.268CS..EExtended strand (participates in β ladder)trans-97.4132-179.4-58.6173.6000110.3I105 Q120 I121 L123 L152 L161 V183 I186I105-L181 HydrophobicContact CD1-CD1 3.98Å; I105-L181 HydrophobicContact CD1-CD2 4.44Å; Q120-L181 CarbonylContact C-O 3.5Å; Q120-L181 VanDerWaalsContact CA-O 3.24Å; Q120-L181 WeakPolarHBondContact CA-O 3.4Å; I121-L181 HydrophobicContact CD1-CB 4.47Å; I121-L181 HydrophobicContact CD1-CD1 4.36Å; I121-L181 HydrophobicContact CG1-CB 3.86Å; I121-L181 HydrophobicContact CG1-CD1 4.49Å; I121-L181 PolarHBondContact N-O 2.99Å; I121-L181 PolarHBondContact O-N 3.42Å; L123-L181 HydrophobicContact CD1-CD1 3.67Å; L123-L181 HydrophobicContact CG-CD1 4.31Å; L152-L181 HydrophobicContact CD1-CD2 3.95Å; L161-L181 HydrophobicContact CB-CD2 4.2Å; L161-L181 CarbonylContact O-C 3.52Å; L161-L181 WeakPolarHBondContact O-CA 3.25Å; L181-V183 PolarHBondContact O-N 3.36Å; L181-I186 HydrophobicContact CB-CD1 3.97Å; L181-I186 HydrophobicContact CB-CG2 4.32Å; L181-I186 HydrophobicContact CD1-CD1 4.41Å
182S96.4Very high90.9Very high34 Ų3448.6 Ų48.624%0.23828%0.277CS..EExtended strand (participates in β ladder)trans-74123.9175.7179.10000110.2L161 A184 S185 I186L161-S182 PolarHBondContact O-N 3.01Å; S182-A184 PolarHBondContact O-N 3.3Å; S182-A184 VanDerWaalsContact O-N 3.12Å; S182-S185 PolarHBondContact O-N 3.43Å; S182-S185 PolarHBondContact O-OG 2.95Å; S182-I186 PolarHBondContact O-N 3.42Å
183V95.1Very high90.1Very high38 Ų3850 Ų5023%0.2329%0.288CS..G310 helixtrans-58.2-28.4178.5174.60000111.8N119 I121 L181 S185N119-V183 WeakPolarHBondContact O-CB 3.34Å; N119-V183 WeakPolarHBondContact O-CG2 3.39Å; N119-V183 PolarHBondContact O-N 2.92Å; I121-V183 HydrophobicContact CG2-CG2 3.97Å; L181-V183 PolarHBondContact O-N 3.36Å; V183-S185 VanDerWaalsContact C-N 3.27Å; V183-S185 PolarHBondContact O-N 3.15Å
184A95.3Very high88.8Confident40 Ų4050.2 Ų50.233%0.33131%0.306SS..G310 helixtrans-71-21.8177.800000113.8S182S182-A184 PolarHBondContact O-N 3.3Å; S182-A184 VanDerWaalsContact O-N 3.12Å
185S96Very high87.3Confident23 Ų2347.4 Ų47.416%0.16131%0.311CS..G310 helixtrans-100.9-7.2-173.472.10000114G99 L160 L161 S182 V183G99-S185 PolarHBondContact N-O 2.9Å; L160-S185 WeakPolarHBondContact O-CB 3.47Å; L161-S185 WeakPolarHBondContact CA-OG 3.38Å; L161-S185 PolarHBondContact O-OG 3.04Å; S182-S185 PolarHBondContact O-N 3.43Å; S182-S185 PolarHBondContact O-OG 2.95Å; V183-S185 VanDerWaalsContact C-N 3.27Å; V183-S185 PolarHBondContact O-N 3.15Å
186I96.1Very high85.8Confident14 Ų1453 Ų537%0.07234%0.337CS..EExtended strand (participates in β ladder)trans-127.1155.2-174.170.7176.9000110.9F96 I97 I105 I121 L161 L181 S182F96-I186 HydrophobicContact CD1-CD1 4.28Å; I97-I186 CarbonylContact O-C 3.57Å; I97-I186 VanDerWaalsContact O-CA 3.27Å; I97-I186 WeakPolarHBondContact O-CA 3.32Å; I105-I186 HydrophobicContact CD1-CB 4.16Å; I105-I186 HydrophobicContact CD1-CG2 3.4Å; I105-I186 VanDerWaalsContact CD1-CG2 3.4Å; I121-I186 HydrophobicContact CD1-CD1 3.44Å; I121-I186 VanDerWaalsContact CD1-CD1 3.44Å; I121-I186 HydrophobicContact CG1-CD1 3.84Å; L161-I186 HydrophobicContact CD2-CG2 4.42Å; L181-I186 HydrophobicContact CB-CD1 3.97Å; L181-I186 HydrophobicContact CB-CG2 4.32Å; L181-I186 HydrophobicContact CD1-CD1 4.41Å; S182-I186 PolarHBondContact O-N 3.42Å
187D95.4Very high83.7Confident52 Ų5256.2 Ų56.228%0.27836%0.359SS..EExtended strand (participates in β ladder)trans-118.7160.4168.8-69.4-31.5000109.4F96 I97 R102F96-D187 WeakPolarHBondContact CA-O 3.1Å; I97-D187 PolarHBondContact N-O 3.01Å; I97-D187 PolarHBondContact O-N 3.32Å; R102-D187 IonicContact CZ-OD2 3.17Å; R102-D187 VanDerWaalsContact CZ-OD2 3.31Å; R102-D187 IonicContact NH1-OD2 3.31Å; R102-D187 PolarHBondContact NH1-OD2 2.94Å; R102-D187 IonicContact NH2-OD2 2.77Å
188S92.4Very high81.9Confident67 Ų6758.3 Ų58.347%0.46936%0.363SS..EExtended strand (participates in β ladder)trans-120.5140178.257.40000111.6V95V95-S188 CarbonylContact O-C 3.5Å; V95-S188 WeakPolarHBondContact O-CA 3.44Å
189Y90.9Very high79.6Confident109 Ų10962.8 Ų62.843%0.42740%0.401SS..EExtended strand (participates in β ladder)trans-127.5123.3173.8177.2-110.7000110.5V94 V95 L191V94-Y189 CarbonylContact C-O 3.59Å; V94-Y189 WeakPolarHBondContact CA-O 3.43Å; V95-Y189 PolarHBondContact N-O 3.48Å; V95-Y189 PolarHBondContact O-N 2.82Å; Y189-L191 HydrophobicContact CD1-CD2 3.83Å; Y189-L191 HydrophobicContact CE1-CD2 3.66Å
190V90.5Very high76.8Confident22 Ų2265.2 Ų65.213%0.13343%0.428CS..EExtended strand (participates in β ladder)trans-85.4119.1177.7-175.60000108.8F35 D91 G92 V94 S193F35-V190 HydrophobicContact CB-CG2 4.41Å; D91-V190 HydrophobicContact CB-CG1 4.41Å; G92-V190 WeakPolarHBondContact O-CG1 3.38Å; V94-V190 HydrophobicContact CG2-CG2 4Å; V190-S193 WeakPolarHBondContact O-CB 3.48Å; V190-S193 PolarHBondContact O-N 3.28Å; V190-S193 PolarHBondContact O-OG 3.05Å
191L86.1Confident74.3Confident79 Ų7974.9 Ų74.941%0.41447%0.473SS..THydrogen-bonded Turntrans-66138.3176.8-63.2-176.6000110.2P93 V95 Y189 S193P93-L191 HydrophobicContact CB-CD1 4.45Å; P93-L191 HydrophobicContact CG-CB 4.13Å; P93-L191 HydrophobicContact CG-CD1 3.98Å; P93-L191 HydrophobicContact CG-CG 4.44Å; P93-L191 WeakPolarHBondContact O-CB 3.36Å; P93-L191 WeakPolarHBondContact O-CG 3.44Å; P93-L191 PolarHBondContact O-N 3.38Å; V95-L191 HydrophobicContact CG2-CD1 4.05Å; V95-L191 HydrophobicContact CG2-CD2 3.94Å; V95-L191 HydrophobicContact CG2-CG 3.97Å; Y189-L191 HydrophobicContact CD1-CD2 3.83Å; Y189-L191 HydrophobicContact CE1-CD2 3.66Å; L191-S193 VanDerWaalsContact C-N 3.31Å; L191-S193 PolarHBondContact O-N 3.48Å
192G81.4Confident72Confident69 Ų6977.4 Ų77.471%0.71150%0.5SS*.THydrogen-bonded Turntrans85.5-6.5-177.400000115.1G194 G195G192-G194 PolarHBondContact O-N 2.96Å; G192-G195 PolarHBondContact O-N 2.96Å
193S71.4Confident69.7Low49 Ų4982.4 Ų82.434%0.34353%0.531SS..G310 helixtrans-67.5-16.6178.158.90000114.9V190 L191 G195 Q196V190-S193 WeakPolarHBondContact O-CB 3.48Å; V190-S193 PolarHBondContact O-N 3.28Å; V190-S193 PolarHBondContact O-OG 3.05Å; L191-S193 VanDerWaalsContact C-N 3.31Å; L191-S193 PolarHBondContact O-N 3.48Å; S193-G195 PolarHBondContact O-N 3.2Å; S193-Q196 PolarHBondContact O-N 3.41Å
194G62.3Low67.5Low71 Ų7189.2 Ų89.273%0.73256%0.558SS**G310 helixtrans-69.5-12.1179.300000115.1G192G192-G194 PolarHBondContact O-N 2.96Å
195G53Low65.5Low64 Ų6496.4 Ų96.466%0.6658%0.584SS**G310 helixtrans-89.3-8.8-179.700000115.2G192 S193 M197G192-G195 PolarHBondContact O-N 2.96Å; S193-G195 PolarHBondContact O-N 3.2Å; G195-M197 VanDerWaalsContact C-N 3.33Å; G195-M197 PolarHBondContact O-N 3.37Å
196Q52.6Low63.4Low138 Ų138100.8 Ų100.865%0.64560%0.602SS**  trans-77.988.7173.1-79.5178.118.100108.6S193 L198S193-Q196 PolarHBondContact O-N 3.41Å; Q196-L198 PolarHBondContact O-N 3.17Å
197M41.8Very low61.3Low181 Ų181107.4 Ų107.489%0.89264%0.637SS**  trans-51.4112.3168.4-72.5-176.765.300108.5G195 A199G195-M197 VanDerWaalsContact C-N 3.33Å; G195-M197 PolarHBondContact O-N 3.37Å; M197-A199 PolarHBondContact O-N 2.94Å
198L42.5Very low59.7Low126 Ų126110 Ų11066%0.6666%0.655SS**  trans-52.3123.4168.7-67.5167.8000107.5F39 Q196 A200F39-L198 HydrophobicContact CE2-CD2 4.06Å; F39-L198 HydrophobicContact CZ-CD2 3.87Å; Q196-L198 PolarHBondContact O-N 3.17Å; L198-A200 PolarHBondContact O-N 3.1Å
199A43.3Very low59Low105 Ų105110.4 Ų110.487%0.86865%0.654SS**  trans-54.4107.616300000106.6M197 E201M197-A199 PolarHBondContact O-N 2.94Å; A199-E201 PolarHBondContact O-N 3.16Å
200A38.1Very low58.3Low88 Ų88112.4 Ų112.473%0.72767%0.672SS**  trans-72110.8-165.200000110.6L198L198-A200 PolarHBondContact O-N 3.1Å
201E43.3Very low57.8Low203 Ų203119 Ų11995%0.94970%0.701SS**  trans-139.488.6152.6-73.1-160-178.700109.6A199A199-E201 PolarHBondContact O-N 3.16Å
202G47.2Very low57.6Low54 Ų54120.1 Ų120.156%0.55770%0.7SS**SBendtrans169.1144.7172.800000112.2K204G202-K204 PolarHBondContact O-N 3.25Å
203P48.1Very low57.9Low138 Ų138123.9 Ų123.990%0.89669%0.693SS**  trans-57.2123.2178.5-2132000110.8E205P203-E205 PolarHBondContact O-N 3.49Å
204K49.8Very low58.7Low181 Ų181127.1 Ų127.179%0.78770%0.702SS**  trans-61.298.7-170-63.9171.3178.81760112.5G202 Q206G202-K204 PolarHBondContact O-N 3.25Å; K204-Q206 PolarHBondContact O-N 3.24Å; K204-Q206 VanDerWaalsContact O-N 3.13Å
205E53Low59.9Low191 Ų191127.3 Ų127.389%0.89369%0.687SS**  trans-78.280.1144.1-81.8-179169.200107P203 L207P203-E205 PolarHBondContact O-N 3.49Å; E205-L207 PolarHBondContact O-N 3.5Å; E205-L207 VanDerWaalsContact O-N 3.16Å
206Q51.3Low61.8Low115 Ų115126.8 Ų126.854%0.53767%0.671SS.*  trans-62.3116.3174.5-178.8161.6-12.400108.2K204 V208K204-Q206 PolarHBondContact O-N 3.24Å; K204-Q206 VanDerWaalsContact O-N 3.13Å; Q206-V208 PolarHBondContact O-N 2.81Å; Q206-V208 VanDerWaalsContact O-N 3.15Å
207L51.8Low63.7Low154 Ų154124.5 Ų124.581%0.80666%0.66SS**  trans-53.8122.7173.6-65.5173.5000108.4E205 T209E205-L207 PolarHBondContact O-N 3.5Å; E205-L207 VanDerWaalsContact O-N 3.16Å; L207-T209 PolarHBondContact O-N 2.77Å
208V62Low66.3Low107 Ų107120.4 Ų120.465%0.64864%0.639SS**  trans-68.599.4-178.5179.20000108Q206 Y212 R213Q206-V208 PolarHBondContact O-N 2.81Å; Q206-V208 VanDerWaalsContact O-N 3.15Å; V208-Y212 HydrophobicContact CG1-CD1 4.3Å; V208-R213 HydrophobicContact CG1-CB 4.15Å
209T78.4Confident68.8Low74 Ų74120.1 Ų120.145%0.45463%0.634SS.*  trans-73.7154.6170.7650000109.6L207 E211 Y212 R213L207-T209 PolarHBondContact O-N 2.77Å; T209-E211 PolarHBondContact O-N 3.49Å; T209-Y212 PolarHBondContact O-N 2.97Å; T209-Y212 VanDerWaalsContact O-N 3.17Å; T209-Y212 VanDerWaalsContact OG1-CB 3.24Å; T209-Y212 WeakPolarHBondContact OG1-CB 3.38Å; T209-Y212 PolarHBondContact OG1-N 3.28Å; T209-R213 PolarHBondContact O-N 3.48Å
210L77.1Confident71.3Confident151 Ų151120.6 Ų120.679%0.79162%0.621SS**Hα-helixtrans-61.5-37.6179.9-161.3152.4000111.3R213 H214L210-R213 PolarHBondContact O-N 3.47Å; L210-H214 PolarHBondContact O-N 3.47Å
211E79.1Confident74.1Confident160 Ų160118.9 Ų118.975%0.74861%0.608SS**Hα-helixtrans-63.8-43.4173.8-63.1176.4176.400112.2T209 R213 H214 N215T209-E211 PolarHBondContact O-N 3.49Å; E211-R213 VanDerWaalsContact C-N 3.34Å; E211-R213 PolarHBondContact O-N 2.99Å; E211-H214 PolarHBondContact O-N 3.35Å; E211-N215 PolarHBondContact O-N 3.23Å
212Y82.6Confident76.6Confident103 Ų103114.5 Ų114.540%0.40459%0.587SS.*Hα-helixtrans-63.3-42176.7178.7-104.2000111.6V208 T209 H214 N215 V216V208-Y212 HydrophobicContact CG1-CD1 4.3Å; T209-Y212 PolarHBondContact O-N 2.97Å; T209-Y212 VanDerWaalsContact O-N 3.17Å; T209-Y212 VanDerWaalsContact OG1-CB 3.24Å; T209-Y212 WeakPolarHBondContact OG1-CB 3.38Å; T209-Y212 PolarHBondContact OG1-N 3.28Å; Y212-H214 PolarHBondContact O-N 3.06Å; Y212-N215 PolarHBondContact O-N 2.98Å; Y212-V216 HydrophobicContact CD1-CG2 4.26Å; Y212-V216 HydrophobicContact CD2-CG2 4.39Å; Y212-V216 HydrophobicContact CE1-CG2 3.81Å; Y212-V216 HydrophobicContact CE2-CG2 3.95Å; Y212-V216 WeakPolarHBondContact O-CG2 3.47Å; Y212-V216 PolarHBondContact O-N 3.47Å
213R86.8Confident79Confident149 Ų149118.1 Ų118.156%0.56259%0.591SS**Hα-helixtrans-57.7-48.8174.2-179.7-176.7171.4121.19.5111.3V208 T209 L210 E211 N215 V216 E217V208-R213 HydrophobicContact CG1-CB 4.15Å; T209-R213 PolarHBondContact O-N 3.48Å; L210-R213 PolarHBondContact O-N 3.47Å; E211-R213 VanDerWaalsContact C-N 3.34Å; E211-R213 PolarHBondContact O-N 2.99Å; R213-N215 VanDerWaalsContact C-N 3.32Å; R213-N215 PolarHBondContact O-N 3.17Å; R213-V216 PolarHBondContact O-N 3Å; R213-E217 HydrophobicContact CG-CG 4.4Å; R213-E217 IonicContact CZ-OE1 3.91Å; R213-E217 IonicContact NE-OE1 2.8Å; R213-E217 PolarHBondContact NE-OE1 3.44Å; R213-E217 IonicContact NH2-OE1 3.97Å; R213-E217 PolarHBondContact NH2-OE1 3.32Å; R213-E217 WeakPolarHBondContact O-CB 3.24Å; R213-E217 WeakPolarHBondContact O-CG 3.45Å; R213-E217 PolarHBondContact O-N 3.27Å
214H87.7Confident81.3Confident116 Ų116118.4 Ų118.454%0.53758%0.578SS.*Hα-helixtrans-59.6-43.7179.3-17760.3000111.8L210 E211 Y212 E217 Q218L210-H214 PolarHBondContact O-N 3.47Å; E211-H214 PolarHBondContact O-N 3.35Å; Y212-H214 PolarHBondContact O-N 3.06Å; H214-E217 PolarHBondContact O-N 2.94Å; H214-Q218 PolarHBondContact O-N 2.96Å
215N89.3Confident83.5Confident75 Ų75116.4 Ų116.440%0.40157%0.573SS.*Hα-helixtrans-63.7-42.9177.9-175.765.1000112.5E211 Y212 R213 Q218 Q219E211-N215 PolarHBondContact O-N 3.23Å; Y212-N215 PolarHBondContact O-N 2.98Å; R213-N215 VanDerWaalsContact C-N 3.32Å; R213-N215 PolarHBondContact O-N 3.17Å; N215-Q218 PolarHBondContact O-N 3.09Å; N215-Q219 WeakPolarHBondContact O-CG 3.46Å; N215-Q219 PolarHBondContact O-N 2.93Å
216V92.5Very high85.6Confident54 Ų54112.3 Ų112.333%0.32756%0.557SS.*Hα-helixtrans-65.6-42.8176.4175.10000111.1Y212 R213 Q218 Q219 L220Y212-V216 HydrophobicContact CD1-CG2 4.26Å; Y212-V216 HydrophobicContact CD2-CG2 4.39Å; Y212-V216 HydrophobicContact CE1-CG2 3.81Å; Y212-V216 HydrophobicContact CE2-CG2 3.95Å; Y212-V216 WeakPolarHBondContact O-CG2 3.47Å; Y212-V216 PolarHBondContact O-N 3.47Å; R213-V216 PolarHBondContact O-N 3Å; V216-Q218 VanDerWaalsContact C-N 3.32Å; V216-Q218 PolarHBondContact O-N 3.38Å; V216-Q219 PolarHBondContact O-N 3.42Å; V216-L220 VanDerWaalsContact O-CB 3.3Å; V216-L220 WeakPolarHBondContact O-CB 3.29Å; V216-L220 PolarHBondContact O-N 3.3Å
217E92.4Very high87.8Confident90 Ų90110.5 Ų110.542%0.42155%0.554SS.*Hα-helixtrans-61.2-40.6177.1-75.5176.2170.100111.8R213 H214 L220 A221R213-E217 HydrophobicContact CG-CG 4.4Å; R213-E217 IonicContact CZ-OE1 3.91Å; R213-E217 IonicContact NE-OE1 2.8Å; R213-E217 PolarHBondContact NE-OE1 3.44Å; R213-E217 IonicContact NH2-OE1 3.97Å; R213-E217 PolarHBondContact NH2-OE1 3.32Å; R213-E217 WeakPolarHBondContact O-CB 3.24Å; R213-E217 WeakPolarHBondContact O-CG 3.45Å; R213-E217 PolarHBondContact O-N 3.27Å; H214-E217 PolarHBondContact O-N 2.94Å; E217-L220 PolarHBondContact O-N 2.97Å; E217-A221 PolarHBondContact O-N 2.94Å
218Q95.4Very high90Very high95 Ų95107.2 Ų107.244%0.44454%0.54SS..Hα-helixtrans-63.1-49.8175-178.1-179.9-17.900111.7H214 N215 V216 L220 A221 E222H214-Q218 PolarHBondContact O-N 2.96Å; N215-Q218 PolarHBondContact O-N 3.09Å; V216-Q218 VanDerWaalsContact C-N 3.32Å; V216-Q218 PolarHBondContact O-N 3.38Å; Q218-L220 PolarHBondContact O-N 3.34Å; Q218-A221 WeakPolarHBondContact O-CB 3.46Å; Q218-A221 PolarHBondContact O-N 3.44Å; Q218-A221 VanDerWaalsContact O-N 3.09Å; Q218-E222 PolarHBondContact NE2-OE1 3.03Å; Q218-E222 PolarHBondContact O-N 3.16Å
219Q95.3Very high91.6Very high119 Ų119105.1 Ų105.156%0.55653%0.53SS*.Hα-helixtrans-60.6-36.7178.3-72.9-163.7-16.400112.2N215 V216 A221 E222 M223N215-Q219 WeakPolarHBondContact O-CG 3.46Å; N215-Q219 PolarHBondContact O-N 2.93Å; V216-Q219 PolarHBondContact O-N 3.42Å; Q219-A221 VanDerWaalsContact C-N 3.34Å; Q219-E222 PolarHBondContact O-N 2.97Å; Q219-M223 WeakPolarHBondContact O-CB 3.3Å; Q219-M223 PolarHBondContact O-N 3.34Å
220L96.6Very high92.5Very high115 Ų115107 Ų10760%0.60254%0.535SS*.Hα-helixtrans-68.5-35.5177.4-153.2152.7000111.3V216 E217 Q218 K224V216-L220 VanDerWaalsContact O-CB 3.3Å; V216-L220 WeakPolarHBondContact O-CB 3.29Å; V216-L220 PolarHBondContact O-N 3.3Å; E217-L220 PolarHBondContact O-N 2.97Å; Q218-L220 PolarHBondContact O-N 3.34Å; L220-K224 VanDerWaalsContact O-CB 3.29Å; L220-K224 WeakPolarHBondContact O-CB 3.34Å; L220-K224 PolarHBondContact O-N 2.98Å
221A96.2Very high93.3Very high53 Ų53101.9 Ų101.944%0.43851%0.514SS..Hα-helixtrans-67.4-44.2173.600000112.3E217 Q218 Q219 K224 M225E217-A221 PolarHBondContact O-N 2.94Å; Q218-A221 WeakPolarHBondContact O-CB 3.46Å; Q218-A221 PolarHBondContact O-N 3.44Å; Q218-A221 VanDerWaalsContact O-N 3.09Å; Q219-A221 VanDerWaalsContact C-N 3.34Å; A221-K224 WeakPolarHBondContact O-CB 3.3Å; A221-K224 PolarHBondContact O-N 2.75Å; A221-M225 WeakPolarHBondContact O-CG 3.38Å; A221-M225 PolarHBondContact O-N 3.36Å
222E96.5Very high94.1Very high110 Ų11099.3 Ų99.351%0.51450%0.502SS..Hα-helixtrans-61.1-46.2175.7-70.8172.1-169.200111.2Q218 Q219 K224 M225 L226Q218-E222 PolarHBondContact NE2-OE1 3.03Å; Q218-E222 PolarHBondContact O-N 3.16Å; Q219-E222 PolarHBondContact O-N 2.97Å; E222-K224 VanDerWaalsContact C-N 3.31Å; E222-K224 PolarHBondContact O-N 3.14Å; E222-M225 PolarHBondContact O-N 3.11Å; E222-L226 PolarHBondContact O-N 3.41Å
223M97.4Very high94.7Very high130 Ų130102.3 Ų102.364%0.6451%0.513SS*.Hα-helixtrans-62.4-39.7176.4-173174.2173.100111.6Q219 L226 V227Q219-M223 WeakPolarHBondContact O-CB 3.3Å; Q219-M223 PolarHBondContact O-N 3.34Å; M223-L226 PolarHBondContact O-N 3.29Å; M223-V227 VanDerWaalsContact O-CG2 3.3Å; M223-V227 WeakPolarHBondContact O-CG2 3.46Å; M223-V227 PolarHBondContact O-N 2.98Å
224K96.4Very high95.1Very high144 Ų14499.9 Ų99.963%0.62651%0.511SS*.Hα-helixtrans-61.1-44.8175.1-177.4-178.6178.5-176.60111.7L220 A221 E222 L226 V227 V228L220-K224 VanDerWaalsContact O-CB 3.29Å; L220-K224 WeakPolarHBondContact O-CB 3.34Å; L220-K224 PolarHBondContact O-N 2.98Å; A221-K224 WeakPolarHBondContact O-CB 3.3Å; A221-K224 PolarHBondContact O-N 2.75Å; E222-K224 VanDerWaalsContact C-N 3.31Å; E222-K224 PolarHBondContact O-N 3.14Å; K224-L226 VanDerWaalsContact C-N 3.33Å; K224-L226 PolarHBondContact O-N 2.94Å; K224-V227 PolarHBondContact O-N 3.16Å; K224-V228 HydrophobicContact CG-CG2 4.47Å; K224-V228 VanDerWaalsContact O-CG2 3.3Å; K224-V228 WeakPolarHBondContact O-CG2 3.29Å; K224-V228 PolarHBondContact O-N 3.41Å
225M96.6Very high95.4Very high140 Ų140100.6 Ų100.669%0.6951%0.514SS*.Hα-helixtrans-60.7-43.5177.9-71.1-65.1-64.800111.5A221 E222 V228 S229A221-M225 WeakPolarHBondContact O-CG 3.38Å; A221-M225 PolarHBondContact O-N 3.36Å; E222-M225 PolarHBondContact O-N 3.11Å; M225-V228 PolarHBondContact O-N 3.49Å; M225-S229 WeakPolarHBondContact O-CB 3.42Å; M225-S229 PolarHBondContact O-N 3.4Å
226L96.9Very high95.5Very high104 Ų104102.4 Ų102.455%0.54552%0.52SS..Hα-helixtrans-63.3-45.8177.8-176.1136.4000112E222 M223 K224 V228 S229 M230E222-L226 PolarHBondContact O-N 3.41Å; M223-L226 PolarHBondContact O-N 3.29Å; K224-L226 VanDerWaalsContact C-N 3.33Å; K224-L226 PolarHBondContact O-N 2.94Å; L226-V228 PolarHBondContact O-N 2.74Å; L226-S229 PolarHBondContact O-N 3.06Å; L226-M230 HydrophobicContact CD2-CG 4.48Å; L226-M230 HydrophobicContact CD2-SD 3.66Å; L226-M230 HydrophobicContact CG-SD 4.46Å; L226-M230 WeakPolarHBondContact O-CG 3.39Å; L226-M230 PolarHBondContact O-N 3.26Å
227V97.4Very high95.5Very high78 Ų78104.2 Ų104.247%0.47353%0.527SS..Hα-helixtrans-63.8-41.7179.1171.90000111.6M223 K224 M230 A231M223-V227 VanDerWaalsContact O-CG2 3.3Å; M223-V227 WeakPolarHBondContact O-CG2 3.46Å; M223-V227 PolarHBondContact O-N 2.98Å; K224-V227 PolarHBondContact O-N 3.16Å; V227-M230 PolarHBondContact O-N 3.48Å; V227-A231 WeakPolarHBondContact O-CB 3.25Å; V227-A231 PolarHBondContact O-N 2.99Å
228V96.7Very high95.4Very high85 Ų85106.2 Ų106.252%0.51554%0.536SS..Hα-helixtrans-64.9-42176.9170.90000111.2K224 M225 L226 M230 A231 Q232K224-V228 HydrophobicContact CG-CG2 4.47Å; K224-V228 VanDerWaalsContact O-CG2 3.3Å; K224-V228 WeakPolarHBondContact O-CG2 3.29Å; K224-V228 PolarHBondContact O-N 3.41Å; M225-V228 PolarHBondContact O-N 3.49Å; L226-V228 PolarHBondContact O-N 2.74Å; V228-M230 VanDerWaalsContact C-N 3.34Å; V228-M230 PolarHBondContact O-N 3.19Å; V228-A231 PolarHBondContact O-N 3.23Å; V228-Q232 PolarHBondContact O-N 3.38Å
229S96.4Very high95Very high63 Ų63104.2 Ų104.244%0.44154%0.536SS..Hα-helixtrans-63.6-39.6176176.40000112.3M225 L226 Q232 R233M225-S229 WeakPolarHBondContact O-CB 3.42Å; M225-S229 PolarHBondContact O-N 3.4Å; L226-S229 PolarHBondContact O-N 3.06Å; S229-Q232 PolarHBondContact O-N 3.15Å; S229-R233 WeakPolarHBondContact O-CG 3.49Å; S229-R233 PolarHBondContact O-N 3.04Å; S229-R233 VanDerWaalsContact O-N 3.11Å
230M96.4Very high94.3Very high112 Ų112100.4 Ų100.455%0.55253%0.529SS*.Hα-helixtrans-64.3-43.2174.4-72.3-179.567.500111.9L226 V227 V228 R233 L234L226-M230 HydrophobicContact CD2-CG 4.48Å; L226-M230 HydrophobicContact CD2-SD 3.66Å; L226-M230 HydrophobicContact CG-SD 4.46Å; L226-M230 WeakPolarHBondContact O-CG 3.39Å; L226-M230 PolarHBondContact O-N 3.26Å; V227-M230 PolarHBondContact O-N 3.48Å; V228-M230 VanDerWaalsContact C-N 3.34Å; V228-M230 PolarHBondContact O-N 3.19Å; M230-R233 PolarHBondContact O-N 3.42Å; M230-L234 WeakPolarHBondContact O-CG 3.39Å; M230-L234 PolarHBondContact O-N 3.11Å
231A95.5Very high93.4Very high44 Ų4499.6 Ų99.636%0.36453%0.525SS..Hα-helixtrans-60.4-45.2177.100000111.6V227 V228 R233 L234 E235V227-A231 WeakPolarHBondContact O-CB 3.25Å; V227-A231 PolarHBondContact O-N 2.99Å; V228-A231 PolarHBondContact O-N 3.23Å; A231-R233 PolarHBondContact O-N 3.34Å; A231-L234 WeakPolarHBondContact O-CB 3.3Å; A231-L234 PolarHBondContact O-N 2.93Å; A231-L234 VanDerWaalsContact O-N 3.15Å; A231-E235 PolarHBondContact O-N 2.74Å
232Q95.3Very high92.2Very high107 Ų107104.3 Ų104.350%0.554%0.536SS..Hα-helixtrans-60.1-44.6177.1-174.5-175.2-19.300112.1V228 S229 L234 E235 E236V228-Q232 PolarHBondContact O-N 3.38Å; S229-Q232 PolarHBondContact O-N 3.15Å; Q232-L234 VanDerWaalsContact C-N 3.27Å; Q232-L234 PolarHBondContact O-N 3.34Å; Q232-E235 PolarHBondContact O-N 2.95Å; Q232-E236 PolarHBondContact NE2-OE1 2.93Å; Q232-E236 VanDerWaalsContact NE2-OE1 3.17Å; Q232-E236 WeakPolarHBondContact O-CG 3.46Å; Q232-E236 PolarHBondContact O-N 3.18Å
233R95.4Very high90.8Very high165 Ų165106.2 Ų106.262%0.62354%0.544SS*.Hα-helixtrans-64.9-32177.5-72.5-174.366.5-164.4-2.2112.8S229 M230 A231 I237S229-R233 WeakPolarHBondContact O-CG 3.49Å; S229-R233 PolarHBondContact O-N 3.04Å; S229-R233 VanDerWaalsContact O-N 3.11Å; M230-R233 PolarHBondContact O-N 3.42Å; A231-R233 PolarHBondContact O-N 3.34Å; R233-I237 WeakPolarHBondContact O-CD1 3.41Å; R233-I237 VanDerWaalsContact O-CG1 3.25Å; R233-I237 WeakPolarHBondContact O-CG1 3.49Å; R233-I237 PolarHBondContact O-N 3.4Å
234L94.9Very high89Confident99 Ų99107.1 Ų107.152%0.51855%0.547SS..Hα-helixtrans-69.3-43.1174.4-73.8170.1000111.2M230 A231 Q232 E236 I237 E238M230-L234 WeakPolarHBondContact O-CG 3.39Å; M230-L234 PolarHBondContact O-N 3.11Å; A231-L234 WeakPolarHBondContact O-CB 3.3Å; A231-L234 PolarHBondContact O-N 2.93Å; A231-L234 VanDerWaalsContact O-N 3.15Å; Q232-L234 VanDerWaalsContact C-N 3.27Å; Q232-L234 PolarHBondContact O-N 3.34Å; L234-E236 VanDerWaalsContact C-N 3.31Å; L234-E236 PolarHBondContact O-N 3.03Å; L234-I237 PolarHBondContact O-N 3.37Å; L234-E238 WeakPolarHBondContact O-CB 3.37Å; L234-E238 WeakPolarHBondContact O-CG 3.43Å; L234-E238 PolarHBondContact O-N 3.26Å
235E93.9Very high87.2Confident130 Ų130104.9 Ų104.961%0.60755%0.548SS*.Hα-helixtrans-58.9-41.4175.2-73.2175.6-172.400112A231 Q232 I237 E238 A239A231-E235 PolarHBondContact O-N 2.74Å; Q232-E235 PolarHBondContact O-N 2.95Å; E235-I237 PolarHBondContact O-N 3.13Å; E235-E238 PolarHBondContact O-N 3.06Å; E235-A239 WeakPolarHBondContact O-CB 3.41Å; E235-A239 PolarHBondContact O-N 3.4Å
236E92.1Very high85.3Confident113 Ų113105 Ų10553%0.52855%0.551SS.*Hα-helixtrans-62.6-40.9176.2-72169.4-167.900112.3Q232 L234 G240Q232-E236 PolarHBondContact NE2-OE1 2.93Å; Q232-E236 VanDerWaalsContact NE2-OE1 3.17Å; Q232-E236 WeakPolarHBondContact O-CG 3.46Å; Q232-E236 PolarHBondContact O-N 3.18Å; L234-E236 VanDerWaalsContact C-N 3.31Å; L234-E236 PolarHBondContact O-N 3.03Å; E236-G240 PolarHBondContact O-N 3.05Å; E236-G240 VanDerWaalsContact O-N 3.16Å
237I92.8Very high83.3Confident93 Ų93108.8 Ų108.848%0.47757%0.567SS.*Hα-helixtrans-69.9-42.8177.6-67.2165.1000110.9R233 L234 E235 A239 G240 L241R233-I237 WeakPolarHBondContact O-CD1 3.41Å; R233-I237 VanDerWaalsContact O-CG1 3.25Å; R233-I237 WeakPolarHBondContact O-CG1 3.49Å; R233-I237 PolarHBondContact O-N 3.4Å; L234-I237 PolarHBondContact O-N 3.37Å; E235-I237 PolarHBondContact O-N 3.13Å; I237-A239 VanDerWaalsContact C-N 3.32Å; I237-A239 PolarHBondContact O-N 3.44Å; I237-G240 PolarHBondContact O-N 2.87Å; I237-L241 HydrophobicContact CG2-CD1 3.96Å; I237-L241 WeakPolarHBondContact O-CG 3.36Å; I237-L241 PolarHBondContact O-N 3.2Å
238E88.4Confident80.9Confident131 Ų131112.2 Ų112.261%0.61260%0.603SS**Hα-helixtrans-63.2-38.3177.6-74.8178.9-177.600112L234 E235 K242L234-E238 WeakPolarHBondContact O-CB 3.37Å; L234-E238 WeakPolarHBondContact O-CG 3.43Å; L234-E238 PolarHBondContact O-N 3.26Å; E235-E238 PolarHBondContact O-N 3.06Å; E238-K242 PolarHBondContact O-N 3.2Å
239A88.3Confident80.1Confident54 Ų54113.6 Ų113.645%0.44661%0.608SS.*Hα-helixtrans-64.9-47.117500000111.8E235 I237 L241 K242 E243E235-A239 WeakPolarHBondContact O-CB 3.41Å; E235-A239 PolarHBondContact O-N 3.4Å; I237-A239 VanDerWaalsContact C-N 3.32Å; I237-A239 PolarHBondContact O-N 3.44Å; A239-L241 VanDerWaalsContact C-N 3.34Å; A239-L241 PolarHBondContact O-N 3.4Å; A239-K242 WeakPolarHBondContact O-CB 3.47Å; A239-K242 PolarHBondContact O-N 3.38Å; A239-K242 VanDerWaalsContact O-N 3.11Å; A239-E243 PolarHBondContact O-N 3.31Å
240G81.2Confident79.2Confident39 Ų39116.3 Ų116.340%0.40262%0.617SS.*Hα-helixtrans-62.3-37.3178.600000113.7E236 I237 K242 E244E236-G240 PolarHBondContact O-N 3.05Å; E236-G240 VanDerWaalsContact O-N 3.16Å; I237-G240 PolarHBondContact O-N 2.87Å; G240-K242 VanDerWaalsContact C-N 3.26Å; G240-K242 PolarHBondContact O-N 2.88Å; G240-E244 PolarHBondContact O-N 3.2Å
241L77.5Confident78.3Confident98 Ų98116.5 Ų116.551%0.51362%0.62SS.*Hα-helixtrans-66.8-26.4175.1-76.6165.7000113.3I237 A239I237-L241 HydrophobicContact CG2-CD1 3.96Å; I237-L241 WeakPolarHBondContact O-CG 3.36Å; I237-L241 PolarHBondContact O-N 3.2Å; A239-L241 VanDerWaalsContact C-N 3.34Å; A239-L241 PolarHBondContact O-N 3.4Å
242K70.2Confident77.2Confident152 Ų152120.8 Ų120.866%0.66164%0.635SS**Hα-helixtrans-77.7-38.4-179.4-143.5168.9-174.5175.90111.6E238 A239 G240 E244 C245 D246E238-K242 PolarHBondContact O-N 3.2Å; A239-K242 WeakPolarHBondContact O-CB 3.47Å; A239-K242 PolarHBondContact O-N 3.38Å; A239-K242 VanDerWaalsContact O-N 3.11Å; G240-K242 VanDerWaalsContact C-N 3.26Å; G240-K242 PolarHBondContact O-N 2.88Å; K242-E244 VanDerWaalsContact C-N 3.29Å; K242-E244 PolarHBondContact O-N 3.46Å; K242-C245 PolarHBondContact O-N 2.96Å; K242-D246 PolarHBondContact O-N 3.31Å
243E66.8Low76.1Confident149 Ų149121.6 Ų121.670%0.69664%0.644SS**Hα-helixtrans-65-32.7174.9-64.9-170.617200112.3A239 C245A239-E243 PolarHBondContact O-N 3.31Å; E243-C245 VanDerWaalsContact C-N 3.28Å; E243-C245 PolarHBondContact O-N 3.31Å
244E60.5Low74.8Confident150 Ų150118.7 Ų118.770%0.70165%0.645SS**Hα-helixtrans-74.3-16.7178.4-146.2172.4-156.400113.3G240 K242G240-E244 PolarHBondContact O-N 3.2Å; K242-E244 VanDerWaalsContact C-N 3.29Å; K242-E244 PolarHBondContact O-N 3.46Å
245C58Low73.4Confident96 Ų96120.1 Ų120.165%0.64965%0.654SS**Hα-helixtrans-95.7-19.2177.9-75.50000113.8K242 E243K242-C245 PolarHBondContact O-N 2.96Å; E243-C245 VanDerWaalsContact C-N 3.28Å; E243-C245 PolarHBondContact O-N 3.31Å
246D56.7Low71.8Confident142 Ų142119.4 Ų119.476%0.75966%0.658SS**Hα-helixtrans-86.9-7.9177.5-73.4-29.2000112.8K242K242-D246 PolarHBondContact O-N 3.31Å
247E54.2Low70.1Confident184 Ų184119.9 Ų119.986%0.8667%0.669SS**THydrogen-bonded Turntrans-100.58.9176-77.4-112148.500114.1
248A47.1Very low68.1Low151 Ų151122.4 Ų122.4100%1.24869%0.686SS**  trans-1090179.800000114

Retrieved 248 of 248 residues in 331.9 ms (Link to these results)