A0A077Z442_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z442, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 307 aa.

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(Predicted Aligned Error values between residue pairs)
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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
1M47.6Very low79.1Confident240 Ų240131.1 Ų131.1100%1.18280%0.798SS**  0105.90-78.5170.2159.600109.3
2P66.9Low79.4Confident118 Ų118129.9 Ų129.977%0.76680%0.795SS**PPolyproline II helixtrans-94.2134.1135.529.7-23.9000108.1
3P75.2Confident79.6Confident112 Ų112128.8 Ų128.873%0.72779%0.791SS**PPolyproline II helixtrans-64.1142.1171.626.6-31.5000109.5L5P3-L5 PolarHBondContact O-N 3.29Å
4P79.7Confident79.8Confident124 Ų124127.4 Ų127.481%0.80579%0.785SS**PPolyproline II helixtrans-59.413417124.1-30.1000109.1
5L83.1Confident79.7Confident165 Ų165125.9 Ų125.986%0.86478%0.779SS**PPolyproline II helixtrans-60.2140.8178.2-76.4163.6000110.1P3P3-L5 PolarHBondContact O-N 3.29Å
6P85.7Confident79.2Confident108 Ų108127.5 Ų127.570%0.70178%0.779SS**PPolyproline II helixtrans-61.7147.7175.225.8-32.8000110.7
7P86.4Confident78.6Confident114 Ų114131.1 Ų131.174%0.7478%0.781SS**PPolyproline II helixtrans-61.1149.6175.625.9-33.3000110.9
8P87Confident78Confident113 Ų113131.9 Ų131.973%0.73478%0.779SS**PPolyproline II helixtrans-61.3147.9178.125.6-33.5000111.3
9P85.9Confident77.8Confident117 Ų117137.1 Ų137.176%0.7678%0.784SS**PPolyproline II helixtrans-62.1148.7176.625.7-33.2000111.3
10P86.5Confident77.9Confident116 Ų116135.8 Ų135.875%0.75378%0.781SS**PPolyproline II helixtrans-62149.517625.8-33000111.2
11P85.8Confident78Confident115 Ų115134.7 Ų134.775%0.74778%0.779SS**PPolyproline II helixtrans-61.1147.8177.425.4-33.1000111
12P83.6Confident79.6Confident117 Ų117128.8 Ų128.876%0.7676%0.759SS**PPolyproline II helixtrans-60.9146.3177.125.1-32.9000110.9
13P82Confident80.3Confident115 Ų115128.8 Ų128.875%0.74776%0.759SS**PPolyproline II helixtrans-60.8150.2175.525.6-33000110.8
14P81.3Confident80.4Confident109 Ų109128.6 Ų128.671%0.70876%0.757SS**PPolyproline II helixtrans-60.3148.4178.525.5-33.6000111I16P14-I16 PolarHBondContact O-N 3.4Å
15P78.4Confident80.1Confident106 Ų106128.1 Ų128.169%0.68875%0.754SS**PPolyproline II helixtrans-59.9124-179.922-30.5000110.7F17P15-F17 HydrophobicContact CG-CE2 4.43Å; P15-F17 PolarHBondContact O-N 3.23Å; P15-F17 VanDerWaalsContact O-N 3.11Å
16I72.9Confident79.5Confident151 Ų151126.5 Ų126.577%0.77475%0.751SS**  trans-71.7103.9172.9-58.8175.1000107.5P14 I18P14-I16 PolarHBondContact O-N 3.4Å; I16-I18 HydrophobicContact CG2-CG1 3.97Å; I16-I18 PolarHBondContact O-N 2.99Å
17F69.2Low78.5Confident188 Ų188128 Ų12883%0.82575%0.751SS**  trans-75.491.7170.7-93.1-90.3000109.7P15 R19P15-F17 HydrophobicContact CG-CE2 4.43Å; P15-F17 PolarHBondContact O-N 3.23Å; P15-F17 VanDerWaalsContact O-N 3.11Å; F17-R19 PolarHBondContact O-N 3.26Å
18I67.1Low77.6Confident146 Ų146129.6 Ų129.675%0.74975%0.752SS**  trans-73.1105.7165.7-55.3179.6000106.6I16I16-I18 HydrophobicContact CG2-CG1 3.97Å; I16-I18 PolarHBondContact O-N 2.99Å
19R74.7Confident76.5Confident230 Ų230134 Ų13487%0.86875%0.754SS**PPolyproline II helixtrans-59128.9172.3-85.6-178.3172.1-123.9-0108.8F17F17-R19 PolarHBondContact O-N 3.26Å
20P79.2Confident75.8Confident112 Ų112134.1 Ų134.173%0.72776%0.755SS**PPolyproline II helixtrans-57.5141172.1-2030.7000109.9
21P80.4Confident75Confident113 Ų113134.6 Ų134.673%0.73476%0.755SS**PPolyproline II helixtrans-59.9149.1170.925.7-32.5000110.3
22P81.8Confident74.3Confident116 Ų116134.4 Ų134.475%0.75375%0.754SS**PPolyproline II helixtrans-59.7146.5177.425-33.1000110.9
23P80.1Confident73.8Confident118 Ų118137 Ų13777%0.76676%0.761SS**PPolyproline II helixtrans-61.2145.4176.825.5-32.8000110.5
24P76.7Confident73.4Confident107 Ų107139 Ų13970%0.69576%0.764SS**PPolyproline II helixtrans-61.6151.1175.426.1-33.2000110.8V26P24-V26 PolarHBondContact O-N 3.37Å
25P74.7Confident73.4Confident114 Ų114138.9 Ų138.974%0.7476%0.764SS**PPolyproline II helixtrans-58.8125.3176.723.5-31.8000110.1I27P25-I27 PolarHBondContact O-N 3.42Å
26V70.7Confident73.7Confident131 Ų131139.2 Ų139.279%0.79477%0.765SS**  trans-71.496.3175.3-177.90000108.1P24 I28P24-V26 PolarHBondContact O-N 3.37Å; V26-I28 HydrophobicContact CG1-CG1 4.09Å; V26-I28 PolarHBondContact O-N 3.42Å
27I64.6Low74.4Confident140 Ų140137.6 Ų137.672%0.71877%0.765SS**  trans-7898.5169.7-59.3175.6000107.1P25 R29P25-I27 PolarHBondContact O-N 3.42Å; I27-R29 VanDerWaalsContact C-N 3.31Å; I27-R29 HydrophobicContact CG2-CG 4.24Å; I27-R29 PolarHBondContact O-N 3.02Å
28I66Low75.1Confident148 Ų148134.1 Ų134.176%0.75976%0.761SS**  trans-69.492.6170-55.9176.5000107V26V26-I28 HydrophobicContact CG1-CG1 4.09Å; V26-I28 PolarHBondContact O-N 3.42Å
29R65.1Low76.1Confident206 Ų206132.5 Ų132.578%0.77776%0.76SS**PPolyproline II helixtrans-67.5130.9168.2-76.4-175.3156.2-152.7-5.6108.2I27 V31I27-R29 VanDerWaalsContact C-N 3.31Å; I27-R29 HydrophobicContact CG2-CG 4.24Å; I27-R29 PolarHBondContact O-N 3.02Å; R29-V31 PolarHBondContact O-N 3.1Å; R29-V31 VanDerWaalsContact O-N 3.11Å
30P70.8Confident76.8Confident119 Ų119127 Ų12777%0.77375%0.754SS**PPolyproline II helixtrans-53.9121.1170.5-21.431.6000108.7P32P30-P32 WeakPolarHBondContact O-CD 3.46Å
31V69.4Low77.1Confident126 Ų126127.2 Ų127.276%0.76476%0.756SS**PPolyproline II helixtrans-60.3121.3174.5-178.10000106.6R29 L33R29-V31 PolarHBondContact O-N 3.1Å; R29-V31 VanDerWaalsContact O-N 3.11Å; V31-L33 PolarHBondContact O-N 3.05Å; V31-L33 VanDerWaalsContact O-N 3.14Å
32P71.5Confident77.5Confident110 Ų110127.2 Ų127.271%0.71476%0.756SS**PPolyproline II helixtrans-56.7123.6172.4-19.330.7000107.8P30 L34P30-P32 WeakPolarHBondContact O-CD 3.46Å; P32-L34 PolarHBondContact O-N 3.04Å
33L73Confident77.7Confident172 Ų172127.1 Ų127.190%0.90176%0.755SS**  trans-53.2113.9173.5-70.4168.8000107.6V31V31-L33 PolarHBondContact O-N 3.05Å; V31-L33 VanDerWaalsContact O-N 3.14Å
34L74.8Confident77.9Confident157 Ų157127 Ų12782%0.82275%0.754SS**PPolyproline II helixtrans-54.3131.9176.4-87.3150.9000108.3P32P32-L34 PolarHBondContact O-N 3.04Å
35P81.3Confident78.2Confident107 Ų107127 Ų12770%0.69576%0.755SS**PPolyproline II helixtrans-57.7146173.324.1-31.8000109.4
36P84.6Confident78.6Confident112 Ų112127.1 Ų127.173%0.72776%0.755SS**PPolyproline II helixtrans-56.1147177.524-33.1000110.3
37P85.8Confident78.8Confident117 Ų117128.2 Ų128.276%0.7676%0.755SS**PPolyproline II helixtrans-57.6143.3177.224.5-33000110
38P85.8Confident79.3Confident115 Ų115128.7 Ų128.775%0.74776%0.757SS**PPolyproline II helixtrans-59.2147.7176.125.1-32.9000110.2
39P87.8Confident79.8Confident113 Ų113127.1 Ų127.173%0.73475%0.754SS**PPolyproline II helixtrans-58148.3175.724.7-33000110.5
40P87.8Confident80.5Confident114 Ų114122.1 Ų122.174%0.7475%0.748SS**PPolyproline II helixtrans-58.1144.8176.724.5-32.7000110.3
41P86.8Confident81Confident116 Ų116122 Ų12275%0.75375%0.747SS**PPolyproline II helixtrans-60.1146.3177.625-32.6000110.4
42P87.6Confident81.7Confident114 Ų114121.3 Ų121.374%0.7475%0.746SS**PPolyproline II helixtrans-59.1149.8174.825-32.8000110.5
43P86.9Confident82.1Confident114 Ų114121.5 Ų121.574%0.7475%0.747SS**PPolyproline II helixtrans-57.2144.6176.824.2-32.9000110.4
44P84.1Confident82.5Confident114 Ų114118.5 Ų118.574%0.7474%0.738SS**PPolyproline II helixtrans-58.8145177.424.7-32.7000110
45P84.1Confident82.8Confident109 Ų109116.6 Ų116.671%0.70874%0.735SS**PPolyproline II helixtrans-57.9149.2174.425.3-33.3000109.9I47P45-I47 PolarHBondContact O-N 3.2Å
46P82.2Confident82.4Confident115 Ų115118.8 Ų118.875%0.74774%0.739SS**PPolyproline II helixtrans-54.5127.1176.720.8-30.5000109.7I48P46-I48 PolarHBondContact O-N 3.25Å
47I74.9Confident81.8Confident154 Ų154120.3 Ų120.379%0.7974%0.74SS**  trans-67.3100.8176.3-59.2175.4000107P45 V49P45-I47 PolarHBondContact O-N 3.2Å; I47-V49 HydrophobicContact CG2-CG2 4.03Å; I47-V49 PolarHBondContact O-N 3.14Å
48I74.8Confident80.8Confident151 Ų151121.8 Ų121.877%0.77474%0.74SS**  trans-74.495.9169.6-58.1175.1000106.2P46 P50P46-I48 PolarHBondContact O-N 3.25Å; I48-P50 VanDerWaalsContact O-CD 3.29Å; I48-P50 WeakPolarHBondContact O-CD 3.49Å
49V76.2Confident80.4Confident115 Ų115126.2 Ų126.270%0.69774%0.741SS**PPolyproline II helixtrans-68.7116.1171.8-177.30000107I47I47-V49 HydrophobicContact CG2-CG2 4.03Å; I47-V49 PolarHBondContact O-N 3.14Å
50P79.6Confident80Confident100 Ų100126.5 Ų126.565%0.64974%0.744SS**PPolyproline II helixtrans-60.714317624-31000109.5I48I48-P50 VanDerWaalsContact O-CD 3.29Å; I48-P50 WeakPolarHBondContact O-CD 3.49Å
51P82.9Confident79.6Confident116 Ų116128.8 Ų128.875%0.75375%0.748SS**PPolyproline II helixtrans-5814617724.5-33000110.2
52P82.6Confident79.5Confident113 Ų113128.4 Ų128.473%0.73475%0.746SS**PPolyproline II helixtrans-58.3144.4178.124.5-33000110.5
53P80.3Confident79.5Confident114 Ų114128.4 Ų128.474%0.7475%0.746SS**PPolyproline II helixtrans-60.3148177.325.4-33.1000110.4
54P82.2Confident79.5Confident108 Ų108128.4 Ų128.470%0.70175%0.746SS**PPolyproline II helixtrans-59.5152.3176.725.9-34000110.8I56P54-I56 PolarHBondContact O-N 3.04Å
55P80.2Confident79.7Confident118 Ų118128.6 Ų128.677%0.76675%0.747SS**PPolyproline II helixtrans-56.912617822.3-31.8000110.3I57P55-I57 PolarHBondContact O-N 2.98Å
56I73.9Confident79.9Confident152 Ų152128.9 Ų128.978%0.77975%0.749SS**  trans-68.8105.2176.1-59.8174.4000107.6P54 I58P54-I56 PolarHBondContact O-N 3.04Å; I56-I58 HydrophobicContact CG2-CG1 3.93Å; I56-I58 PolarHBondContact O-N 3.32Å
57I71.7Confident80.2Confident145 Ų145128.9 Ų128.974%0.74475%0.749SS**  trans-7694170.9-57.9174.9000107.4P55 R59P55-I57 PolarHBondContact O-N 2.98Å; I57-R59 HydrophobicContact CG2-CG 4.48Å; I57-R59 PolarHBondContact O-N 3.29Å
58I63.7Low80.8Confident147 Ų147127 Ų12775%0.75475%0.747SS**  trans-71.699.9171.7-55.7176.6000107.3I56I56-I58 HydrophobicContact CG2-CG1 3.93Å; I56-I58 PolarHBondContact O-N 3.32Å
59R79Confident81.4Confident208 Ų208125.3 Ų125.379%0.78575%0.746SS**PPolyproline II helixtrans-67.9133.3169.1-69.3-176.2175.9-133.2-0.6108.5I57 L61I57-R59 HydrophobicContact CG2-CG 4.48Å; I57-R59 PolarHBondContact O-N 3.29Å; R59-L61 PolarHBondContact O-N 3.16Å
60P78.4Confident81.9Confident120 Ų120125.4 Ų125.478%0.77975%0.749SS**PPolyproline II helixtrans-53.2130.4171.3-23.732.8000109.8
61L80.2Confident82.1Confident161 Ų161126.1 Ų126.184%0.84375%0.753SS**PPolyproline II helixtrans-58.5137.7174.9-121.974.5000108.9R59R59-L61 PolarHBondContact O-N 3.16Å
62P84.8Confident82.3Confident109 Ų109125.7 Ų125.771%0.70875%0.751SS**PPolyproline II helixtrans-58.6145.7173.524.5-32.9000110.1
63P86.7Confident82.3Confident114 Ų114125.9 Ų125.974%0.7475%0.752SS**PPolyproline II helixtrans-58.8147.3177.525.1-33000110.4
64P87.2Confident82.2Confident114 Ų114127.8 Ų127.874%0.7475%0.754SS**PPolyproline II helixtrans-60.5148.8177.426.1-33.7000110.8
65P88.4Confident81.9Confident117 Ų117129.6 Ų129.676%0.7676%0.757SS**PPolyproline II helixtrans-60.7149.6175.826.4-33.7000110.8
66P89.2Confident81.2Confident115 Ų115131.1 Ų131.175%0.74776%0.757SS**PPolyproline II helixtrans-61.2148.8176.526.1-33.5000110.8
67P87.3Confident81.6Confident116 Ų116133.8 Ų133.875%0.75376%0.757SS**PPolyproline II helixtrans-61.8146.6176.925.9-33.2000110.9
68P87.7Confident82Confident115 Ų115132.8 Ų132.875%0.74776%0.76SS**PPolyproline II helixtrans-62.4148.717726-33.1000111.1
69P88.3Confident82.8Confident115 Ų115133.5 Ų133.575%0.74776%0.764SS**PPolyproline II helixtrans-61.9149.4176.826.1-33.4000111.1
70P85.7Confident83Confident117 Ų117128.8 Ų128.876%0.7676%0.761SS**PPolyproline II helixtrans-62.1146.117825.7-33.3000111
71P84.4Confident83.4Confident114 Ų114128.6 Ų128.674%0.7476%0.759SS**PPolyproline II helixtrans-63150.4176.626.4-33.3000111.1
72P86.3Confident83.6Confident108 Ų108126.5 Ų126.570%0.70176%0.755SS**PPolyproline II helixtrans-61.3152.1176.726.7-34.2000111.1I74P72-I74 PolarHBondContact O-N 3.45Å
73P83.3Confident83.6Confident117 Ų117126.8 Ų126.876%0.7676%0.758SS**PPolyproline II helixtrans-59.1126.7178.322-30.9000111I75P73-I75 PolarHBondContact O-N 2.85Å
74I77.7Confident83.6Confident153 Ų153126.9 Ų126.979%0.78576%0.758SS**  trans-71.3110.1175.5-60.5174.2000108.1P72 I76P72-I74 PolarHBondContact O-N 3.45Å; I74-I76 HydrophobicContact CG2-CG1 4.07Å; I74-I76 PolarHBondContact O-N 3.27Å
75I76.6Confident83.4Confident147 Ų147127 Ų12775%0.75476%0.759SS**  trans-78.598171.5-57.8176.5000107.9P73 R77P73-I75 PolarHBondContact O-N 2.85Å; I75-R77 PolarHBondContact O-N 3.18Å; I75-R77 VanDerWaalsContact O-N 3.16Å
76I65.9Low83.2Confident149 Ų149126.7 Ų126.776%0.76476%0.757SS**  trans-74.9102.9172.2-55.8177.4000107.7I74I74-I76 HydrophobicContact CG2-CG1 4.07Å; I74-I76 PolarHBondContact O-N 3.27Å
77R81.7Confident82.9Confident208 Ų208126.7 Ų126.779%0.78576%0.757SS**PPolyproline II helixtrans-70.4133.1169.3-70.3-176.2176.7-128.6-0.1109I75 L79I75-R77 PolarHBondContact O-N 3.18Å; I75-R77 VanDerWaalsContact O-N 3.16Å; R77-L79 PolarHBondContact O-N 3.19Å
78P79.3Confident82.3Confident125 Ų125128.5 Ų128.581%0.81276%0.759SS**PPolyproline II helixtrans-55.8128.3172.4-22.532.2000110.1
79L80Confident81.6Confident161 Ų161129.7 Ų129.784%0.84376%0.757SS**PPolyproline II helixtrans-63140.1171.6-113.476.3000109.2R77R77-L79 PolarHBondContact O-N 3.19Å
80P84Confident80.7Confident109 Ų109131.4 Ų131.471%0.70876%0.759SS**PPolyproline II helixtrans-61.1147.2173.225.7-32.8000110.7
81P85.8Confident80.4Confident116 Ų116136 Ų13675%0.75376%0.761SS**PPolyproline II helixtrans-62.9147.417925.9-33.3000111.2
82P84.7Confident80.2Confident117 Ų117136.3 Ų136.376%0.7676%0.763SS**PPolyproline II helixtrans-65.3149.717727.3-33.6000111.3
83P85.7Confident79.9Confident116 Ų116139 Ų13975%0.75377%0.771SS**PPolyproline II helixtrans-64.8152176.727.1-33.8000111.9
84P85.9Confident80Confident116 Ų116138.3 Ų138.375%0.75377%0.766SS**PPolyproline II helixtrans-65.9148.2178.927-33.7000112
85P83.2Confident80.4Confident117 Ų117136.6 Ų136.676%0.7677%0.765SS**PPolyproline II helixtrans-66.7150.4176.627.7-33.5000111.6
86P84.2Confident80.9Confident109 Ų109135 Ų13571%0.70876%0.764SS**PPolyproline II helixtrans-65153.617727.4-34.2000111.9I88P86-I88 PolarHBondContact O-N 2.75Å
87P82.9Confident81.9Confident116 Ų116133.5 Ų133.575%0.75376%0.764SS**PPolyproline II helixtrans-62.6131.4178.723.9-31.8000111.5I89P87-I89 PolarHBondContact O-N 3.49Å
88I74.1Confident82.2Confident154 Ų154129.1 Ų129.179%0.7976%0.762SS**  trans-77.6106.2175.6-59.6173.4000108.3P86 I90P86-I88 PolarHBondContact O-N 2.75Å; I88-I90 HydrophobicContact CG2-CG1 4.07Å; I88-I90 PolarHBondContact O-N 2.86Å
89I74.4Confident82.5Confident140 Ų140128.6 Ų128.672%0.71876%0.759SS**  trans-84.7101.4172.6-57.9174.1000108.2P87 R91P87-I89 PolarHBondContact O-N 3.49Å; I89-R91 HydrophobicContact CG2-CG 4.34Å; I89-R91 PolarHBondContact O-N 3.18Å
90I68.4Low82.8Confident151 Ų151126.6 Ų126.677%0.77476%0.756SS**  trans-77.8103.7172.9-54.9176.5000107.9I88I88-I90 HydrophobicContact CG2-CG1 4.07Å; I88-I90 PolarHBondContact O-N 2.86Å
91R80.1Confident82.9Confident212 Ų212126.9 Ų126.980%0.876%0.758SS**PPolyproline II helixtrans-77135.2171.2-68.2-175.2175.2-138.2-0.8109.4I89 L93I89-R91 HydrophobicContact CG2-CG 4.34Å; I89-R91 PolarHBondContact O-N 3.18Å; R91-L93 PolarHBondContact O-N 3.48Å
92P80.1Confident82.8Confident122 Ų122126.8 Ų126.879%0.79276%0.757SS**PPolyproline II helixtrans-54.4133.8171.1-23.532.8000110.6
93L80.1Confident82.6Confident164 Ų164126.7 Ų126.786%0.85976%0.756SS**PPolyproline II helixtrans-66.3134.4176.7-155.173.5000108.8R91R91-L93 PolarHBondContact O-N 3.48Å
94P85Confident82.3Confident103 Ų103126.2 Ų126.267%0.66975%0.754SS**PPolyproline II helixtrans-60.4148176.423.5-32.6000111.1
95P86.7Confident81.7Confident116 Ų116126.1 Ų126.175%0.75375%0.753SS**PPolyproline II helixtrans-62149.1177.226.1-33.3000111
96P86.9Confident80.7Confident115 Ų115126.3 Ų126.375%0.74775%0.751SS**PPolyproline II helixtrans-63.5148.1176.826.7-33.4000111
97P87.3Confident79.1Confident117 Ų117130.5 Ų130.576%0.7676%0.759SS**PPolyproline II helixtrans-63.4150.2175.126.7-33.3000111.2
98P87.5Confident77.5Confident115 Ų115131.8 Ų131.875%0.74776%0.758SS**PPolyproline II helixtrans-63.4151.1176.426.6-33.4000111.4
99P86.4Confident76.4Confident115 Ų115135.4 Ų135.475%0.74776%0.762SS**PPolyproline II helixtrans-62.9147.517626.5-33.2000111.1
100P86.1Confident75.6Confident118 Ų118135.3 Ų135.377%0.76677%0.77SS**PPolyproline II helixtrans-63148.5175.326.1-32.7000111.1
101P85.1Confident75Confident116 Ų116132.2 Ų132.275%0.75377%0.767SS**PPolyproline II helixtrans-62.1149.6176.625.7-33000111
102P83.3Confident73.7Confident114 Ų114128.1 Ų128.174%0.7477%0.768SS**PPolyproline II helixtrans-61.8145.2176.825.6-32.8000110.8
103P82Confident72.6Confident114 Ų114128.3 Ų128.374%0.7477%0.769SS**PPolyproline II helixtrans-62.7149.8175.526.1-33.1000111.1
104P78.1Confident71.1Confident107 Ų107125.7 Ų125.770%0.69576%0.762SS**PPolyproline II helixtrans-61.115117625.5-33.4000111.1V106P104-V106 PolarHBondContact O-N 3.49Å; P104-V106 VanDerWaalsContact O-N 3.1Å
105P73.7Confident69.1Low114 Ų114128.8 Ų128.874%0.7477%0.769SS**PPolyproline II helixtrans-58.1117.3176.2-18.929.6000110.4F107P105-F107 PolarHBondContact O-N 2.96Å
106V61.7Low67Low120 Ų120129.3 Ų129.373%0.72777%0.765SS**  trans-77.2109.2171.7-176.80000107.6P104 I108P104-V106 PolarHBondContact O-N 3.49Å; P104-V106 VanDerWaalsContact O-N 3.1Å; V106-I108 VanDerWaalsContact C-N 3.33Å; V106-I108 HydrophobicContact CB-CG1 4.31Å; V106-I108 HydrophobicContact CG1-CD1 4.46Å; V106-I108 HydrophobicContact CG1-CG1 3.65Å; V106-I108 PolarHBondContact O-N 3.23Å
107F52.2Low64.7Low198 Ų198131.9 Ų131.987%0.86877%0.771SS**  trans-72.991166.3-84.6-89.4000109P105 R109P105-F107 PolarHBondContact O-N 2.96Å; F107-R109 PolarHBondContact O-N 2.73Å
108I48.7Very low62.7Low143 Ų143137.3 Ų137.373%0.73378%0.777SS**PPolyproline II helixtrans-75.9116.6173.8-58.6179.8000107.8V106V106-I108 VanDerWaalsContact C-N 3.33Å; V106-I108 HydrophobicContact CB-CG1 4.31Å; V106-I108 HydrophobicContact CG1-CD1 4.46Å; V106-I108 HydrophobicContact CG1-CG1 3.65Å; V106-I108 PolarHBondContact O-N 3.23Å
109R51Low61Low230 Ų230136.8 Ų136.887%0.86877%0.773SS**PPolyproline II helixtrans-58.3139.3168.5-78.3-177.8167.4-142.9-1.5109.7F107 A111F107-R109 PolarHBondContact O-N 2.73Å; R109-A111 PolarHBondContact O-N 3.11Å
110P57.3Low59Low137 Ų137138.8 Ų138.889%0.8978%0.777SS**PPolyproline II helixtrans-61.4120.2-176.9-19.331.1000111.7
111A54.9Low57.4Low86 Ų86138.3 Ų138.371%0.71177%0.774SS**PPolyproline II helixtrans-100.4149.7165.100000109.3R109R109-A111 PolarHBondContact O-N 3.11Å
112P54.2Low55.8Low126 Ų126138 Ų13882%0.81877%0.772SS**PPolyproline II helixtrans-63.6157-169.521.8-31.7000115.6
113P56.3Low54.2Low126 Ų126138 Ų13882%0.81877%0.771SS**PPolyproline II helixtrans-77.3169.9-161.629.7-35.4000117.4
114P49.3Very low52.4Low110 Ų110138.5 Ų138.571%0.71477%0.772SS**  trans-111.6166.5-146.741.5-32.7000115.2
115M41.4Very low50.6Low167 Ų167139.2 Ų139.282%0.82377%0.774SS**  trans-147.9109152.7-69.9-160.884.200109.5
116I44.2Very low49.1Very low128 Ų128140.1 Ų140.166%0.65678%0.778SS**  73.9105.687.3-67.7167000109.6
117L38Very low48.5Very low168 Ų168145.2 Ų145.288%0.8878%0.784SS**  -165.214154.1-92141000113.9
118R45.9Very low48.7Very low231 Ų231141.6 Ų141.687%0.87278%0.78SS**  trans-70.2-173.4155.2-102.4173151.3-154.5-3.4110.6
119P50.6Low49Very low104 Ų104140.4 Ų140.468%0.67578%0.782SS**  cis-139.3176.50.5235.7000113.7
120L45.6Very low49.2Very low158 Ų158134.6 Ų134.683%0.82777%0.774SS**  -176.4143.791.3-134.477000112.2
121P51.3Low49Very low108 Ų108134.1 Ų134.170%0.70177%0.771SS**  trans-106.8-152.817338-23.6000111.5
122P53Low49Very low109 Ų109137.6 Ų137.671%0.70878%0.776SS**  -112-170.7-70.237.8-18.6000110.5
123P48.3Very low48.4Very low113 Ų113138 Ų13873%0.73478%0.776SS**  -151.6152.877.235.1-11.6000115
124V45.5Very low47.8Very low126 Ų126138.1 Ų138.176%0.76477%0.774SS**  33136.596.1-132.70000114.1
125V39.8Very low48.1Very low121 Ų121143.8 Ų143.873%0.73378%0.781SS**  cis-172.9168.139.8-170.40000107
126V41.3Very low48.8Very low134 Ų134141.3 Ų141.381%0.81278%0.778SS**  150.3120.5125.3178.70000112.6
127R49.3Very low49.4Very low226 Ų226140.9 Ų140.985%0.85378%0.783SS**PPolyproline II helixtrans-71.5152.3-177-76.5176.4169.1-139-1113.4
128P56.4Low50.3Low123 Ų123138 Ų13880%0.79977%0.774SS**PPolyproline II helixtrans-71.5148.8169.5013.2000113
129P56.7Low50.7Low117 Ų117133 Ų13376%0.7677%0.772SS**PPolyproline II helixtrans-76.5164.8179.831.2-34.8000114
130P54.3Low50.8Low109 Ų109135.4 Ų135.471%0.70878%0.777SS**PPolyproline II helixtrans-72.6164.1-173.929.6-36.1000114.4
131P53.1Low50.6Low127 Ų127134.3 Ų134.383%0.82578%0.777SS**PPolyproline II helixtrans-70.9143.1-174.928.4-34.5000113.4
132I54.1Low50.2Low158 Ų158135.2 Ų135.281%0.8178%0.78SS**PPolyproline II helixtrans-86.3126.5-177.2-62.7169.3000110.2
133V43.4Very low50.1Low135 Ų135141 Ų14182%0.81879%0.788SS**PPolyproline II helixtrans-76.2120.1170.9179.20000109.4
134V42.5Very low50.6Low129 Ų129141 Ų14178%0.78279%0.788SS**  trans-93.6111.2177.4-176.90000109.7
135R54.7Low50.8Low228 Ų228140.8 Ų140.886%0.8679%0.789SS**PPolyproline II helixtrans-79.7138.5166.3-101.8-178-179.7-130.41.5110.1
136P57.7Low51.4Low116 Ų116140.3 Ų140.375%0.75379%0.789SS**PPolyproline II helixtrans-67146.4172.4-13.827.9000111.6
137P55.5Low51.9Low118 Ų118140 Ų14077%0.76679%0.789SS**PPolyproline II helixtrans-75.7151177.530.4-33000112.3
138P58.5Low52Low107 Ų107135.6 Ų135.670%0.69579%0.787SS**PPolyproline II helixtrans-70.2156.6175.729.6-34000112.1
139P52.8Low51.4Low127 Ų127135.9 Ų135.983%0.82579%0.786SS**PPolyproline II helixtrans-66.7135.4-179.326.7-33000111.8
140I53Low50.6Low154 Ų154136.6 Ų136.679%0.7979%0.788SS**PPolyproline II helixtrans-84.9119.8-180-63.4168.6000108.8V142I140-V142 HydrophobicContact CG2-CG2 4.46Å
141V42.4Very low50.1Low136 Ų136141.9 Ų141.982%0.82479%0.794SS**  trans-81.9115.3169.1-179.70000108.4
142V41.4Very low49.6Very low127 Ų127142 Ų14277%0.7780%0.795SS**  trans-86.5114.6177.9-177.60000109.2I140I140-V142 HydrophobicContact CG2-CG2 4.46Å
143R52.6Low49.4Very low231 Ų231140.9 Ų140.987%0.87280%0.795SS**PPolyproline II helixtrans-91.4134.4170.3-120.8179.5-172.5-125.52.7109.6
144P56.8Low49.4Very low113 Ų113139.8 Ų139.873%0.73479%0.791SS**PPolyproline II helixtrans-67.4147.5175.8-16.129.2000112.3
145P50.4Low49.3Very low121 Ų121138.7 Ų138.779%0.78680%0.795SS**PPolyproline II helixtrans-74.8150.5176.430.2-32.6000112.2
146P52.3Low49.1Very low111 Ų111134.3 Ų134.372%0.72179%0.793SS**PPolyproline II helixtrans-73.2156.9179.430.2-34.1000112.7
147P51.9Low48.2Very low126 Ų126134.5 Ų134.582%0.81879%0.794SS**PPolyproline II helixtrans-70.3133.8-179.327.7-32.5000111.8
148V50.5Low47.4Very low134 Ų134134 Ų13481%0.81280%0.801SS**PPolyproline II helixtrans-85.3122.3178.8179.10000109.8
149V44.1Very low46.7Very low130 Ų130136.4 Ų136.479%0.78881%0.806SS**PPolyproline II helixtrans-86.9117.8173179.90000108.8
150V40Very low45.9Very low131 Ų131136.3 Ų136.379%0.79481%0.806SS**PPolyproline II helixtrans-88.5118.5176.7-174.50000109.1
151R44Very low44.9Very low221 Ų221134 Ų13483%0.83481%0.809SS**PPolyproline II helixtrans-98.2141.1168.8-86-174.7165.8-144.8-1.8110.5
152P42.7Very low44.7Very low129 Ų129134 Ų13484%0.83881%0.809SS**PPolyproline II helixtrans-73.1137.8176.1-7.424000111.1
153V50.8Low44.2Very low134 Ų134132.2 Ų132.281%0.81281%0.808SS**PPolyproline II helixtrans-97.3140.4173.9178.10000109.6
154P41.9Very low43.6Very low113 Ų113131.6 Ų131.673%0.73481%0.806SS**PPolyproline II helixtrans-78.3150.6-175.8-6.725.1000113.3
155A40.3Very low42.5Very low106 Ų106131.7 Ų131.788%0.87681%0.807SS**PPolyproline II helixtrans-71.2141.5-18000000113.3
156V50.5Low41.7Very low135 Ų135133.7 Ų133.782%0.81881%0.809SS**  trans-119.4143.3175.1-179.70000109.4
157P39.8Very low41Very low120 Ų120130.1 Ų130.178%0.77979%0.792SS**  trans-83.1158.8-166.10.518.7000114.4
158A39.4Very low40.6Very low109 Ų109130.2 Ų130.290%0.90179%0.793SS**  trans-74.3145.8-171.500000115.5
159I43.9Very low40.1Very low157 Ų157129.8 Ų129.881%0.80580%0.803SS**  trans-127.4141.7174.3-54.7177.5000107.6
160P36Very low40.2Very low125 Ų125124.6 Ų124.681%0.81278%0.776SS**  trans-78.7160.7-163.230.9-35.1000115.3
161A31.9Very low41.1Very low105 Ų105119.9 Ų119.987%0.86875%0.754SS**  trans-73.7116.8-162.400000115.1
162V37.9Very low42.2Very low135 Ų135111.4 Ų111.482%0.81873%0.728SS**  trans-131.2114.5154.2175.80000107.6R164V162-R164 PolarHBondContact O-N 3.12Å
163A31Very low43.4Very low91 Ų91105.5 Ų105.575%0.75269%0.69SS**SBendtrans27.390.1156.100000117.2
164R39Very low43.9Very low217 Ų217100.3 Ų100.382%0.81966%0.658SS**  trans-176.1130.5152.4-106.1155.9156.5-148.7-11.2110.1V162 I166V162-R164 PolarHBondContact O-N 3.12Å; R164-I166 VanDerWaalsContact C-N 3.26Å; R164-I166 HydrophobicContact CB-CG1 4.22Å; R164-I166 PolarHBondContact O-N 2.75Å
165P33.1Very low44.8Very low116 Ų11696 Ų9675%0.75364%0.635SS**  trans-68.497.2160.528.7-27.4000106.2G167P165-G167 PolarHBondContact O-N 3.32Å
166I34.5Very low45.9Very low163 Ų16391.7 Ų91.784%0.83660%0.6SS**  trans-7377.6168.4-62.8169.5000105.6R164R164-I166 VanDerWaalsContact C-N 3.26Å; R164-I166 HydrophobicContact CB-CG1 4.22Å; R164-I166 PolarHBondContact O-N 2.75Å
167G38.7Very low46.7Very low36 Ų3686 Ų8637%0.37157%0.568SS.*  trans-76.7155.2159.800000109.7P165 A169P165-G167 PolarHBondContact O-N 3.32Å; G167-A169 PolarHBondContact O-N 3.43Å
168P41.6Very low48.3Very low127 Ų12780.9 Ų80.983%0.82554%0.535SS*.SBendtrans-64.8103.7-169.827.2-34.5000111.3G170P168-G170 VanDerWaalsContact O-CA 3.31Å; P168-G170 WeakPolarHBondContact O-CA 3.3Å; P168-G170 PolarHBondContact O-N 2.6Å
169A41.6Very low49.6Very low125 Ų12575.9 Ų75.9100%1.03349%0.493SS*.SBendtrans42.817.1170.500000117.1G167G167-A169 PolarHBondContact O-N 3.43Å
170G46.5Very low50.8Low22 Ų2270.8 Ų70.823%0.22748%0.479CS..SBendtrans-151.7130-159.500000105.8P168P168-G170 VanDerWaalsContact O-CA 3.31Å; P168-G170 WeakPolarHBondContact O-CA 3.3Å; P168-G170 PolarHBondContact O-N 2.6Å
171G57Low52.5Low32 Ų3267.6 Ų67.633%0.3346%0.455SS..  trans-63.9-164.7-170.500000114.3C173 G176G171-C173 PolarHBondContact O-N 3.39Å; G171-G176 PolarHBondContact N-O 3.4Å; G171-G176 VanDerWaalsContact N-O 3.08Å
172P67.6Low54.6Low42 Ų4267.1 Ų67.127%0.27344%0.443SS..SBendtrans-44.2-9.8175.7-33.433.3000118.1S178 F199 V201 Y210P172-S178 VanDerWaalsContact CD-OG 3.23Å; P172-S178 WeakPolarHBondContact CD-OG 3.25Å; P172-S178 WeakPolarHBondContact CG-OG 3.29Å; P172-F199 VanDerWaalsContact O-CD1 3.32Å; P172-F199 WeakPolarHBondContact O-CD1 3.21Å; P172-V201 HydrophobicContact CB-CG1 3.36Å; P172-V201 HydrophobicContact CG-CG1 4.24Å; P172-V201 WeakPolarHBondContact O-CG1 3.24Å; P172-Y210 HydrophobicContact CB-CD2 3.47Å; P172-Y210 VanDerWaalsContact CB-CD2 3.47Å; P172-Y210 HydrophobicContact CB-CE2 4.02Å; P172-Y210 HydrophobicContact CB-CG 3.87Å; P172-Y210 HydrophobicContact CG-CD1 4.44Å; P172-Y210 HydrophobicContact CG-CD2 3.8Å; P172-Y210 HydrophobicContact CG-CE2 3.98Å; P172-Y210 HydrophobicContact CG-CG 4.02Å
173C68.6Low56.4Low6 Ų661.4 Ų61.44%0.04141%0.408CS..BIsolated β-bridgetrans-105.8145.2-173.5-53.10000111.1G171 G175 G176 S178 C212G171-C173 PolarHBondContact O-N 3.39Å; C173-G175 PolarHBondContact O-N 3.07Å; C173-G176 WeakPolarHBondContact CB-O 3.38Å; C173-G176 PolarHBondContact O-N 3.33Å; C173-S178 WeakPolarHBondContact SG-CA 3.35Å; C173-S178 VanDerWaalsContact SG-CB 3.54Å; C173-C212 WeakPolarHBondContact CA-SG 3.32Å; C173-C212 HydrophobicContact CB-CB 3.62Å; C173-C212 WeakPolarHBondContact CB-SG 3.24Å; C173-C212 WeakPolarHBondContact SG-CA 2.96Å; C173-C212 WeakPolarHBondContact SG-CB 3.25Å; C173-C212 CovalentContact SG-SG 2Å; C173-C212 PolarHBondContact SG-SG 3.3Å
174P61.4Low58.6Low24 Ų2460.7 Ų60.716%0.15639%0.392CS..THydrogen-bonded Turntrans-68.29.8-170.827.8-36.4000116.2F199 S216 G219 A220 Y222P174-F199 HydrophobicContact CB-CZ 4.49Å; P174-F199 HydrophobicContact CG-CE1 4.4Å; P174-F199 HydrophobicContact CG-CE2 4.17Å; P174-F199 HydrophobicContact CG-CZ 4.1Å; P174-S216 CarbonylContact C-O 2.98Å; P174-S216 VanDerWaalsContact C-O 3.26Å; P174-G219 CarbonylContact O-C 3.49Å; P174-A220 HydrophobicContact CB-CB 3.93Å; P174-A220 WeakPolarHBondContact O-CA 2.95Å; P174-A220 WeakPolarHBondContact O-CB 3.31Å; P174-A220 PolarHBondContact O-N 3.08Å; P174-Y222 HydrophobicContact CB-CE1 3.61Å; P174-Y222 WeakPolarHBondContact CB-OH 3.21Å
175G60.5Low60.1Low24 Ų2453.2 Ų53.225%0.24737%0.372CS..THydrogen-bonded Turntrans-157.724.2179.500000113.1C173 S216C173-G175 PolarHBondContact O-N 3.07Å; G175-S216 WeakPolarHBondContact CA-O 2.93Å; G175-S216 PolarHBondContact N-O 3.01Å
176G64.2Low61.7Low14 Ų1458.7 Ų58.714%0.14438%0.377CS..BIsolated β-bridgetrans145.6-165.217300000114.9G171 C173 S178G171-G176 PolarHBondContact N-O 3.4Å; G171-G176 VanDerWaalsContact N-O 3.08Å; C173-G176 WeakPolarHBondContact CB-O 3.38Å; C173-G176 PolarHBondContact O-N 3.33Å; G176-S178 PolarHBondContact O-N 2.93Å
177A66.3Low63.4Low17 Ų1759.4 Ų59.414%0.1437%0.369CS..  trans-59129.6-177.100000112.6R246A177-R246 HydrophobicContact CB-CB 3.64Å; A177-R246 HydrophobicContact CB-CG 4.31Å
178S72.7Confident64.7Low12 Ų1259.7 Ų59.78%0.08437%0.365CS..  trans-66.1154.7163.363.40000111.3P172 C173 G176 G180P172-S178 VanDerWaalsContact CD-OG 3.23Å; P172-S178 WeakPolarHBondContact CD-OG 3.25Å; P172-S178 WeakPolarHBondContact CG-OG 3.29Å; C173-S178 WeakPolarHBondContact SG-CA 3.35Å; C173-S178 VanDerWaalsContact SG-CB 3.54Å; G176-S178 PolarHBondContact O-N 2.93Å; S178-G180 PolarHBondContact O-N 3.18Å; S178-G180 VanDerWaalsContact O-N 3.08Å; S178-G180 PolarHBondContact OG-N 3.33Å
179L67.2Low65.4Low4 Ų460.2 Ų60.22%0.02135%0.35CS..  trans-66.9-1.1167.5-70170.8000113.3I181 P193 C211 W239 W242 V243L179-I181 HydrophobicContact CB-CB 4.47Å; L179-I181 HydrophobicContact CB-CD1 3.97Å; L179-I181 HydrophobicContact CB-CG1 4.2Å; L179-I181 WeakPolarHBondContact O-CG1 3.23Å; L179-I181 PolarHBondContact O-N 2.68Å; L179-P193 HydrophobicContact CD1-CG 3.99Å; L179-C211 HydrophobicContact CB-CB 4.02Å; L179-C211 VanDerWaalsContact CB-O 3.24Å; L179-C211 WeakPolarHBondContact CB-O 3.08Å; L179-C211 HydrophobicContact CD1-CB 3.75Å; L179-C211 HydrophobicContact CG-CB 4.41Å; L179-C211 PolarHBondContact N-O 3.36Å; L179-W239 HydrophobicContact CD1-CH2 3.79Å; L179-W239 HydrophobicContact CD1-CZ2 4.43Å; L179-W239 HydrophobicContact CD1-CZ3 4.15Å; L179-W239 HydrophobicContact CD2-CE3 3.86Å; L179-W239 HydrophobicContact CD2-CH2 3.96Å; L179-W239 HydrophobicContact CD2-CZ3 3.42Å; L179-W239 VanDerWaalsContact CD2-CZ3 3.42Å; L179-W239 HydrophobicContact CG-CH2 4.15Å; L179-W239 HydrophobicContact CG-CZ3 4.03Å; L179-W242 VanDerWaalsContact C-CH2 3.5Å; L179-W242 HydrophobicContact CD2-CH2 4.48Å; L179-W242 WeakPolarHBondContact O-CH2 3.38Å; L179-V243 HydrophobicContact CD2-CB 4.25Å; L179-V243 HydrophobicContact CD2-CG1 3.79Å; L179-V243 HydrophobicContact CD2-CG2 3.46Å; L179-V243 VanDerWaalsContact CD2-CG2 3.46Å
180G70.5Confident66.3Low50 Ų5059.3 Ų59.352%0.51533%0.334SS..  trans60.78.3179.900000113.4S178S178-G180 PolarHBondContact O-N 3.18Å; S178-G180 VanDerWaalsContact O-N 3.08Å; S178-G180 PolarHBondContact OG-N 3.33Å
181I71.6Confident67.3Low58 Ų5862.7 Ų62.730%0.29734%0.344SS..  trans-92.8117177.3-61.7163.3000106.1L179 Q191 Y210 C211L179-I181 HydrophobicContact CB-CB 4.47Å; L179-I181 HydrophobicContact CB-CD1 3.97Å; L179-I181 HydrophobicContact CB-CG1 4.2Å; L179-I181 WeakPolarHBondContact O-CG1 3.23Å; L179-I181 PolarHBondContact O-N 2.68Å; I181-Q191 HydrophobicContact CG2-CB 4.39Å; I181-Q191 WeakPolarHBondContact CG2-O 3.12Å; I181-Y210 WeakPolarHBondContact O-CA 3.44Å; I181-C211 HydrophobicContact CB-CB 4.27Å; I181-C211 PolarHBondContact O-N 2.98Å
182P75.3Confident67.9Low94 Ų9461.2 Ų61.261%0.6133%0.329SS*.BIsolated β-bridgetrans-65.4136.617028.4-32.2000109Y209P182-Y209 VanDerWaalsContact CA-O 3.3Å; P182-Y209 WeakPolarHBondContact CA-O 3.25Å
183C75.2Confident68.2Low15 Ų1561.1 Ų61.110%0.10133%0.328CS..  trans-126.5163178.358.70000111C192 C198 Y209C183-C192 WeakPolarHBondContact CB-SG 3.43Å; C183-C198 VanDerWaalsContact C-SG 3.59Å; C183-C198 HydrophobicContact CB-CB 3.9Å; C183-C198 WeakPolarHBondContact CB-SG 3.03Å; C183-C198 WeakPolarHBondContact SG-CA 3.3Å; C183-C198 WeakPolarHBondContact SG-CB 3.21Å; C183-C198 CovalentContact SG-SG 2.03Å; C183-C198 PolarHBondContact SG-SG 2.96Å; C183-Y209 PolarHBondContact N-O 3.38Å; C183-Y209 WeakPolarHBondContact O-CB 3.26Å; C183-Y209 VanDerWaalsContact SG-CB 3.52Å
184D77.3Confident68.2Low77 Ų7765.3 Ų65.341%0.41236%0.355SS..BIsolated β-bridgetrans-106.6125.3171.6-173.1-26.7000108.2R186 R187 P188D184-R186 PolarHBondContact O-N 2.84Å; D184-R186 WeakPolarHBondContact OD1-CB 3.32Å; D184-R186 PolarHBondContact OD1-N 3.2Å; D184-R187 CarbonylContact O-C 3.4Å; D184-R187 PolarHBondContact O-N 2.96Å; D184-R187 VanDerWaalsContact O-N 3.12Å; D184-P188 WeakPolarHBondContact O-CA 3.09Å
185P71.2Confident68.6Low60 Ų6067.7 Ų67.739%0.3936%0.364SS..THydrogen-bonded Turntrans-57.2-29.5175.7-2331.9000113.8Y209P185-Y209 HydrophobicContact CB-CE1 4.24Å; P185-Y209 VanDerWaalsContact CD-CD2 3.42Å; P185-Y209 HydrophobicContact CG-CD1 3.39Å; P185-Y209 HydrophobicContact CG-CD2 3.48Å; P185-Y209 VanDerWaalsContact CG-CD2 3.48Å; P185-Y209 HydrophobicContact CG-CE1 3.16Å; P185-Y209 HydrophobicContact CG-CE2 3.29Å; P185-Y209 HydrophobicContact CG-CG 3.55Å
186R67.3Low69.4Low231 Ų23167.3 Ų67.387%0.87236%0.358SS*.THydrogen-bonded Turntrans-81.7-23.1-179.3-62.6-176.1172.8-164.8-1.9112.2D184D184-R186 PolarHBondContact O-N 2.84Å; D184-R186 WeakPolarHBondContact OD1-CB 3.32Å; D184-R186 PolarHBondContact OD1-N 3.2Å
187R69Low69.9Low177 Ų17769.3 Ų69.367%0.66836%0.361SS*.BIsolated β-bridgetrans-139.672.6174.1-88.6-177.5171.4-95.51.5109.9D184 W189 Q191D184-R187 CarbonylContact O-C 3.4Å; D184-R187 PolarHBondContact O-N 2.96Å; D184-R187 VanDerWaalsContact O-N 3.12Å; R187-W189 PolarHBondContact O-N 3.06Å; R187-W189 VanDerWaalsContact O-N 3.11Å; R187-Q191 PolarHBondContact O-OE1 2.03Å
188P65.3Low70.5Confident42 Ų4269.9 Ų69.927%0.27336%0.364SS..  trans-65-18.8178.924.3-31.9000112D184 C192 C198D184-P188 WeakPolarHBondContact O-CA 3.09Å; P188-C192 VanDerWaalsContact O-CB 3.25Å; P188-C192 WeakPolarHBondContact O-CB 3.3Å; P188-C192 PolarHBondContact O-N 3.3Å; P188-C198 HydrophobicContact CB-CB 4.08Å
189W57.8Low70.6Confident138 Ų13872.1 Ų72.152%0.52337%0.372SS..THydrogen-bonded Turntrans-112.7132.4178.5-72.4104.8000110.4R187 C192 P194R187-W189 PolarHBondContact O-N 3.06Å; R187-W189 VanDerWaalsContact O-N 3.11Å; W189-C192 WeakPolarHBondContact CZ3-O 3.45Å; W189-P194 HydrophobicContact CH2-CB 3.52Å; W189-P194 HydrophobicContact CH2-CG 3.94Å; W189-P194 VanDerWaalsContact CH2-N 3.28Å; W189-P194 VanDerWaalsContact CZ2-CA 3.49Å; W189-P194 HydrophobicContact CZ2-CB 4.19Å; W189-P194 HydrophobicContact CZ3-CB 4.49Å; W189-P194 HydrophobicContact CZ3-CG 4.47Å
190P60.8Low70.8Confident107 Ų10772.7 Ų72.770%0.69538%0.377SS*.THydrogen-bonded Turncis-95.85.715.437.2-35.6000115.6C192P190-C192 VanDerWaalsContact C-N 3.32Å; P190-C192 PolarHBondContact O-N 2.82Å
191Q67.6Low70.7Confident93 Ų9372.3 Ų72.344%0.43537%0.365SS..THydrogen-bonded Turntrans-66.6-32.3-172.9-72.791.413.900113.3I181 R187I181-Q191 HydrophobicContact CG2-CB 4.39Å; I181-Q191 WeakPolarHBondContact CG2-O 3.12Å; R187-Q191 PolarHBondContact O-OE1 2.03Å
192C68.9Low70.3Confident1 Ų174.9 Ų74.91%0.00738%0.379CS..SBendtrans-98132.7178.9-64.90000112.1C183 P188 W189 P190 S196 C211C183-C192 WeakPolarHBondContact CB-SG 3.43Å; P188-C192 VanDerWaalsContact O-CB 3.25Å; P188-C192 WeakPolarHBondContact O-CB 3.3Å; P188-C192 PolarHBondContact O-N 3.3Å; W189-C192 WeakPolarHBondContact CZ3-O 3.45Å; P190-C192 VanDerWaalsContact C-N 3.32Å; P190-C192 PolarHBondContact O-N 2.82Å; C192-S196 VanDerWaalsContact CB-OG 3.32Å; C192-S196 WeakPolarHBondContact CB-OG 3.31Å; C192-C211 WeakPolarHBondContact CA-SG 3.42Å; C192-C211 HydrophobicContact CB-CB 3.87Å; C192-C211 WeakPolarHBondContact CB-SG 2.98Å; C192-C211 WeakPolarHBondContact SG-CB 3.3Å; C192-C211 CovalentContact SG-SG 2.04Å; C192-C211 PolarHBondContact SG-SG 3.45Å
193P74.1Confident69.7Low39 Ų3974 Ų7425%0.25337%0.373SS..  trans-57.2157.4171.5-25.932.4000114.2L179 Q195 S196L179-P193 HydrophobicContact CD1-CG 3.99Å; P193-Q195 PolarHBondContact O-N 3.47Å; P193-S196 VanDerWaalsContact CD-OG 3.26Å; P193-S196 WeakPolarHBondContact CD-OG 3.08Å; P193-S196 PolarHBondContact O-N 2.78Å; P193-S196 PolarHBondContact O-OG 2.96Å
194P67.9Low69.1Low95 Ų9579 Ų7962%0.61740%0.403SS*.THydrogen-bonded Turntrans-53.1-0.3-178.72.3-13.8000120.6W189W189-P194 HydrophobicContact CH2-CB 3.52Å; W189-P194 HydrophobicContact CH2-CG 3.94Å; W189-P194 VanDerWaalsContact CH2-N 3.28Å; W189-P194 VanDerWaalsContact CZ2-CA 3.49Å; W189-P194 HydrophobicContact CZ2-CB 4.19Å; W189-P194 HydrophobicContact CZ3-CB 4.49Å; W189-P194 HydrophobicContact CZ3-CG 4.47Å
195Q70Confident68.1Low74 Ų7481.8 Ų81.835%0.34642%0.417SS..THydrogen-bonded Turntrans-138.233.4178-61-168.7-5.900111.1P193 V214 F234 P236 W239P193-Q195 PolarHBondContact O-N 3.47Å; Q195-V214 HydrophobicContact CB-CG1 4.34Å; Q195-V214 PolarHBondContact O-N 2.78Å; Q195-F234 PolarHBondContact OE1-O 2.82Å; Q195-P236 HydrophobicContact CG-CG 4.21Å; Q195-W239 HydrophobicContact CB-CZ2 4.38Å
196S77.2Confident67.5Low16 Ų1684.6 Ų84.611%0.11243%0.433CS..EExtended strand (participates in β ladder)trans-131.8154174.358.30000111C192 P193 C212C192-S196 VanDerWaalsContact CB-OG 3.32Å; C192-S196 WeakPolarHBondContact CB-OG 3.31Å; P193-S196 VanDerWaalsContact CD-OG 3.26Å; P193-S196 WeakPolarHBondContact CD-OG 3.08Å; P193-S196 PolarHBondContact O-N 2.78Å; P193-S196 PolarHBondContact O-OG 2.96Å; S196-C212 CarbonylContact C-O 3.57Å; S196-C212 WeakPolarHBondContact CA-O 3.15Å; S196-C212 WeakPolarHBondContact CB-O 3.03Å
197Y75Confident67.4Low56 Ų5674.6 Ų74.622%0.2240%0.402CS..EExtended strand (participates in β ladder)trans-121.815017661.8-84000109.3F199 C212 P213 T217Y197-F199 HydrophobicContact CD2-CB 4Å; Y197-F199 HydrophobicContact CE2-CB 3.65Å; Y197-F199 AromaticContact CE2-CD2 3.76Å; Y197-F199 HydrophobicContact CE2-CD2 3.76Å; Y197-F199 AromaticContact CE2-CG 3.99Å; Y197-F199 HydrophobicContact CE2-CG 3.99Å; Y197-F199 PolarHBondContact O-N 3.48Å; Y197-C212 HydrophobicContact CD1-CB 4.23Å; Y197-C212 VanDerWaalsContact CD1-O 3.27Å; Y197-C212 WeakPolarHBondContact CD1-O 3.26Å; Y197-C212 HydrophobicContact CD2-CB 4.24Å; Y197-C212 HydrophobicContact CE1-CB 3.77Å; Y197-C212 HydrophobicContact CE2-CB 3.8Å; Y197-C212 HydrophobicContact CG-CB 4.44Å; Y197-C212 PolarHBondContact N-O 2.84Å; Y197-C212 PolarHBondContact O-N 3.34Å; Y197-P213 WeakPolarHBondContact CE1-O 3.4Å; Y197-T217 HydrophobicContact CD1-CG2 4.45Å; Y197-T217 HydrophobicContact CE1-CG2 3.54Å; Y197-T217 HydrophobicContact CE2-CG2 4.21Å; Y197-T217 VanDerWaalsContact CZ-CG2 3.4Å; Y197-T217 WeakPolarHBondContact OH-CG2 3.34Å
198C78.1Confident67.5Low29 Ų2969.2 Ų69.220%0.19639%0.39CS..EExtended strand (participates in β ladder)trans-79.4118.1176.6-166.70000109.2C183 P188 Y209C183-C198 VanDerWaalsContact C-SG 3.59Å; C183-C198 HydrophobicContact CB-CB 3.9Å; C183-C198 WeakPolarHBondContact CB-SG 3.03Å; C183-C198 WeakPolarHBondContact SG-CA 3.3Å; C183-C198 WeakPolarHBondContact SG-CB 3.21Å; C183-C198 CovalentContact SG-SG 2.03Å; C183-C198 PolarHBondContact SG-SG 2.96Å; P188-C198 HydrophobicContact CB-CB 4.08Å; C198-Y209 WeakPolarHBondContact SG-CB 3.46Å
199F74.7Confident67.9Low58 Ų5869 Ų6925%0.25438%0.384SS..EExtended strand (participates in β ladder)trans-121.7136.4-177.1-173.4-102.1000111.5P172 P174 Y197 Y209 Y210 C212P172-F199 VanDerWaalsContact O-CD1 3.32Å; P172-F199 WeakPolarHBondContact O-CD1 3.21Å; P174-F199 HydrophobicContact CB-CZ 4.49Å; P174-F199 HydrophobicContact CG-CE1 4.4Å; P174-F199 HydrophobicContact CG-CE2 4.17Å; P174-F199 HydrophobicContact CG-CZ 4.1Å; Y197-F199 HydrophobicContact CD2-CB 4Å; Y197-F199 HydrophobicContact CE2-CB 3.65Å; Y197-F199 AromaticContact CE2-CD2 3.76Å; Y197-F199 HydrophobicContact CE2-CD2 3.76Å; Y197-F199 AromaticContact CE2-CG 3.99Å; Y197-F199 HydrophobicContact CE2-CG 3.99Å; Y197-F199 PolarHBondContact O-N 3.48Å; F199-Y209 CarbonylContact O-C 3.26Å; F199-Y209 VanDerWaalsContact O-CA 3.25Å; F199-Y209 WeakPolarHBondContact O-CA 3.3Å; F199-Y210 PolarHBondContact N-O 2.77Å; F199-Y210 PolarHBondContact O-N 2.93Å; F199-C212 HydrophobicContact CB-CB 4.18Å; F199-C212 WeakPolarHBondContact CB-SG 3Å
200A73.1Confident68.9Low16 Ų1665.5 Ų65.513%0.13237%0.371CS..EExtended strand (participates in β ladder)trans-88.7130.9177.200000110.7T203 Y209A200-T203 WeakPolarHBondContact CB-O 3.27Å; A200-Y209 HydrophobicContact CB-CD1 3.43Å; A200-Y209 VanDerWaalsContact CB-CD1 3.43Å; A200-Y209 HydrophobicContact CB-CE1 3.28Å; A200-Y209 HydrophobicContact CB-CG 4.43Å
201V67.6Low69.8Low42 Ų4260.4 Ų60.426%0.25534%0.338SS..SBendtrans-75.8-29.7179.1-71.60000114.6P172 P208 Y210P172-V201 HydrophobicContact CB-CG1 3.36Å; P172-V201 HydrophobicContact CG-CG1 4.24Å; P172-V201 WeakPolarHBondContact O-CG1 3.24Å; V201-P208 HydrophobicContact CG2-CG 3.57Å; V201-Y210 HydrophobicContact CG1-CD2 3.78Å; V201-Y210 HydrophobicContact CG1-CE2 3.8Å; V201-Y210 HydrophobicContact CG2-CE2 4.19Å
202N62.5Low70.3Confident112 Ų11256 Ų5660%0.59932%0.317SS*.SBendtrans-126.6-32.1-162.7-68.7-16000114.6
203T63Low70.5Confident77 Ų7756 Ų5647%0.47232%0.317SS..  trans-157.3154.1169.664.90000109.6A200 D205 V206A200-T203 WeakPolarHBondContact CB-O 3.27Å; T203-D205 PolarHBondContact O-N 3.18Å; T203-V206 VanDerWaalsContact OG1-C 3.28Å; T203-V206 PolarHBondContact OG1-N 2.81Å; T203-V206 VanDerWaalsContact OG1-N 3.07Å; T203-V206 PolarHBondContact OG1-O 3.02Å
204V62.7Low70.4Confident120 Ų12056.2 Ų56.273%0.72732%0.318SS*.SBendtrans-58.9-29.4-177.5-178.60000112Y209V204-Y209 PolarHBondContact O-OH 3.42Å
205D57.2Low70.3Confident134 Ų13452.9 Ų52.972%0.71729%0.293SS*.SBendtrans-113.9-20.3-167.8-59.1-61.2000115.2T203 Y209T203-D205 PolarHBondContact O-N 3.18Å; D205-Y209 WeakPolarHBondContact CA-OH 3.43Å; D205-Y209 PolarHBondContact O-OH 3.42Å
206V57.9Low70.1Confident120 Ų12049.3 Ų49.373%0.72728%0.276SS*.SBendtrans-145.291.2-178.4-172.10000109.9T203T203-V206 VanDerWaalsContact OG1-C 3.28Å; T203-V206 PolarHBondContact OG1-N 2.81Å; T203-V206 VanDerWaalsContact OG1-N 3.07Å; T203-V206 PolarHBondContact OG1-O 3.02Å
207G64.4Low69.3Low20 Ų2050.2 Ų50.221%0.20628%0.281CS..SBendtrans-165.5161.3174.500000112.1Y209G207-Y209 WeakPolarHBondContact O-CD2 3.19Å; G207-Y209 WeakPolarHBondContact O-CE2 3.39Å; G207-Y209 PolarHBondContact O-N 3.36Å; G207-Y209 VanDerWaalsContact O-N 3.08Å
208P71.3Confident68.4Low65 Ų6552.2 Ų52.242%0.42229%0.289SS..  trans-64.9116.9171.225.6-28.1000107.7V201 Y210V201-P208 HydrophobicContact CG2-CG 3.57Å; P208-Y210 HydrophobicContact CB-CE2 3.71Å; P208-Y210 HydrophobicContact CG-CE2 3.93Å; P208-Y210 VanDerWaalsContact O-CD2 3.32Å; P208-Y210 WeakPolarHBondContact O-CD2 2.97Å; P208-Y210 VanDerWaalsContact O-CE2 3.26Å; P208-Y210 WeakPolarHBondContact O-CE2 3.42Å
209Y73.9Confident67.1Low38 Ų3853 Ų5315%0.14930%0.302CS..EExtended strand (participates in β ladder)trans-90.6139.2177.8-55.2-95.5000109.7P182 C183 P185 C198 F199 A200 V204 D205 G207P182-Y209 VanDerWaalsContact CA-O 3.3Å; P182-Y209 WeakPolarHBondContact CA-O 3.25Å; C183-Y209 PolarHBondContact N-O 3.38Å; C183-Y209 WeakPolarHBondContact O-CB 3.26Å; C183-Y209 VanDerWaalsContact SG-CB 3.52Å; P185-Y209 HydrophobicContact CB-CE1 4.24Å; P185-Y209 VanDerWaalsContact CD-CD2 3.42Å; P185-Y209 HydrophobicContact CG-CD1 3.39Å; P185-Y209 HydrophobicContact CG-CD2 3.48Å; P185-Y209 VanDerWaalsContact CG-CD2 3.48Å; P185-Y209 HydrophobicContact CG-CE1 3.16Å; P185-Y209 HydrophobicContact CG-CE2 3.29Å; P185-Y209 HydrophobicContact CG-CG 3.55Å; C198-Y209 WeakPolarHBondContact SG-CB 3.46Å; F199-Y209 CarbonylContact O-C 3.26Å; F199-Y209 VanDerWaalsContact O-CA 3.25Å; F199-Y209 WeakPolarHBondContact O-CA 3.3Å; A200-Y209 HydrophobicContact CB-CD1 3.43Å; A200-Y209 VanDerWaalsContact CB-CD1 3.43Å; A200-Y209 HydrophobicContact CB-CE1 3.28Å; A200-Y209 HydrophobicContact CB-CG 4.43Å; V204-Y209 PolarHBondContact O-OH 3.42Å; D205-Y209 WeakPolarHBondContact CA-OH 3.43Å; D205-Y209 PolarHBondContact O-OH 3.42Å; G207-Y209 WeakPolarHBondContact O-CD2 3.19Å; G207-Y209 WeakPolarHBondContact O-CE2 3.39Å; G207-Y209 PolarHBondContact O-N 3.36Å; G207-Y209 VanDerWaalsContact O-N 3.08Å
210Y78.8Confident66.1Low64 Ų6451 Ų5125%0.25130%0.296SS..EExtended strand (participates in β ladder)trans-125143.9179.8-59.3-85.5000110.7P172 I181 F199 V201 P208 C212P172-Y210 HydrophobicContact CB-CD2 3.47Å; P172-Y210 VanDerWaalsContact CB-CD2 3.47Å; P172-Y210 HydrophobicContact CB-CE2 4.02Å; P172-Y210 HydrophobicContact CB-CG 3.87Å; P172-Y210 HydrophobicContact CG-CD1 4.44Å; P172-Y210 HydrophobicContact CG-CD2 3.8Å; P172-Y210 HydrophobicContact CG-CE2 3.98Å; P172-Y210 HydrophobicContact CG-CG 4.02Å; I181-Y210 WeakPolarHBondContact O-CA 3.44Å; F199-Y210 PolarHBondContact N-O 2.77Å; F199-Y210 PolarHBondContact O-N 2.93Å; V201-Y210 HydrophobicContact CG1-CD2 3.78Å; V201-Y210 HydrophobicContact CG1-CE2 3.8Å; V201-Y210 HydrophobicContact CG2-CE2 4.19Å; P208-Y210 HydrophobicContact CB-CE2 3.71Å; P208-Y210 HydrophobicContact CG-CE2 3.93Å; P208-Y210 VanDerWaalsContact O-CD2 3.32Å; P208-Y210 WeakPolarHBondContact O-CD2 2.97Å; P208-Y210 VanDerWaalsContact O-CE2 3.26Å; P208-Y210 WeakPolarHBondContact O-CE2 3.42Å; Y210-C212 PolarHBondContact O-N 3.21Å; Y210-C212 VanDerWaalsContact O-N 3.13Å
211C79.7Confident65Low0 Ų056.5 Ų56.50%033%0.331CS..EExtended strand (participates in β ladder)trans-67114.2170-56.60000109L179 I181 C192L179-C211 HydrophobicContact CB-CB 4.02Å; L179-C211 VanDerWaalsContact CB-O 3.24Å; L179-C211 WeakPolarHBondContact CB-O 3.08Å; L179-C211 HydrophobicContact CD1-CB 3.75Å; L179-C211 HydrophobicContact CG-CB 4.41Å; L179-C211 PolarHBondContact N-O 3.36Å; I181-C211 HydrophobicContact CB-CB 4.27Å; I181-C211 PolarHBondContact O-N 2.98Å; C192-C211 WeakPolarHBondContact CA-SG 3.42Å; C192-C211 HydrophobicContact CB-CB 3.87Å; C192-C211 WeakPolarHBondContact CB-SG 2.98Å; C192-C211 WeakPolarHBondContact SG-CB 3.3Å; C192-C211 CovalentContact SG-SG 2.04Å; C192-C211 PolarHBondContact SG-SG 3.45Å
212C79.2Confident64.3Low0 Ų060.9 Ų60.90%034%0.343CS..EExtended strand (participates in β ladder)trans-104.3130177.6-69.30000109.8C173 S196 Y197 F199 Y210C173-C212 WeakPolarHBondContact CA-SG 3.32Å; C173-C212 HydrophobicContact CB-CB 3.62Å; C173-C212 WeakPolarHBondContact CB-SG 3.24Å; C173-C212 WeakPolarHBondContact SG-CA 2.96Å; C173-C212 WeakPolarHBondContact SG-CB 3.25Å; C173-C212 CovalentContact SG-SG 2Å; C173-C212 PolarHBondContact SG-SG 3.3Å; S196-C212 CarbonylContact C-O 3.57Å; S196-C212 WeakPolarHBondContact CA-O 3.15Å; S196-C212 WeakPolarHBondContact CB-O 3.03Å; Y197-C212 HydrophobicContact CD1-CB 4.23Å; Y197-C212 VanDerWaalsContact CD1-O 3.27Å; Y197-C212 WeakPolarHBondContact CD1-O 3.26Å; Y197-C212 HydrophobicContact CD2-CB 4.24Å; Y197-C212 HydrophobicContact CE1-CB 3.77Å; Y197-C212 HydrophobicContact CE2-CB 3.8Å; Y197-C212 HydrophobicContact CG-CB 4.44Å; Y197-C212 PolarHBondContact N-O 2.84Å; Y197-C212 PolarHBondContact O-N 3.34Å; F199-C212 HydrophobicContact CB-CB 4.18Å; F199-C212 WeakPolarHBondContact CB-SG 3Å; Y210-C212 PolarHBondContact O-N 3.21Å; Y210-C212 VanDerWaalsContact O-N 3.13Å
213P73.2Confident63.6Low1 Ų162.1 Ų62.11%0.00634%0.34CS..EExtended strand (participates in β ladder)trans-54.1145.1171.7-5.96.7000111.7Y197 W215 S216 W239Y197-P213 WeakPolarHBondContact CE1-O 3.4Å; P213-W215 HydrophobicContact CB-CD2 3.32Å; P213-W215 HydrophobicContact CB-CE3 3.67Å; P213-W215 HydrophobicContact CB-CG 3.95Å; P213-W215 HydrophobicContact CB-CH2 3.68Å; P213-W215 HydrophobicContact CB-CZ2 3.3Å; P213-W215 HydrophobicContact CB-CZ3 3.83Å; P213-W215 HydrophobicContact CG-CD2 4.24Å; P213-W215 HydrophobicContact CG-CH2 4.38Å; P213-W215 HydrophobicContact CG-CZ2 3.63Å; P213-W215 PolarHBondContact O-N 3.3Å; P213-S216 VanDerWaalsContact CD-OG 3.26Å; P213-S216 WeakPolarHBondContact CD-OG 3.26Å; P213-S216 WeakPolarHBondContact CG-OG 3.32Å; P213-S216 VanDerWaalsContact O-CB 3.24Å; P213-S216 WeakPolarHBondContact O-CB 3.5Å; P213-S216 PolarHBondContact O-N 3.29Å; P213-S216 PolarHBondContact O-OG 2.04Å; P213-W239 HydrophobicContact CB-CH2 3.57Å; P213-W239 HydrophobicContact CB-CZ3 3.91Å; P213-W239 HydrophobicContact CG-CH2 3.99Å; P213-W239 HydrophobicContact CG-CZ3 3.92Å
214V71.6Confident62.8Low44 Ų4463.8 Ų63.827%0.26735%0.352SS..G310 helixtrans-53.5-28.7174.568.60000111.8Q195 S216 T217 P233Q195-V214 HydrophobicContact CB-CG1 4.34Å; Q195-V214 PolarHBondContact O-N 2.78Å; V214-S216 VanDerWaalsContact C-N 3.32Å; V214-S216 PolarHBondContact O-N 2.98Å; V214-T217 PolarHBondContact O-N 2.91Å; V214-T217 PolarHBondContact O-OG1 3.14Å; V214-P233 HydrophobicContact CG1-CB 4.49Å; V214-P233 HydrophobicContact CG1-CG 3.79Å
215W65.7Low61.6Low24 Ų2469.3 Ų69.39%0.09136%0.36CS..G310 helixtrans-76.2-16.1176.262.181.2000115.4P213 T217 Y218 M235 W239 T247P213-W215 HydrophobicContact CB-CD2 3.32Å; P213-W215 HydrophobicContact CB-CE3 3.67Å; P213-W215 HydrophobicContact CB-CG 3.95Å; P213-W215 HydrophobicContact CB-CH2 3.68Å; P213-W215 HydrophobicContact CB-CZ2 3.3Å; P213-W215 HydrophobicContact CB-CZ3 3.83Å; P213-W215 HydrophobicContact CG-CD2 4.24Å; P213-W215 HydrophobicContact CG-CH2 4.38Å; P213-W215 HydrophobicContact CG-CZ2 3.63Å; P213-W215 PolarHBondContact O-N 3.3Å; W215-T217 PolarHBondContact O-N 2.72Å; W215-Y218 VanDerWaalsContact CA-CD2 3.47Å; W215-Y218 HydrophobicContact CB-CD2 4Å; W215-Y218 PolarHBondContact O-N 2.64Å; W215-M235 HydrophobicContact CH2-CB 4.42Å; W215-M235 HydrophobicContact CH2-CG 3.73Å; W215-M235 HydrophobicContact CH2-SD 4.01Å; W215-M235 HydrophobicContact CZ2-CG 4.31Å; W215-M235 HydrophobicContact CZ2-SD 3.97Å; W215-M235 HydrophobicContact CZ3-CG 4.26Å; W215-W239 AromaticContact CH2-CD2 3.82Å; W215-W239 HydrophobicContact CH2-CD2 3.82Å; W215-W239 AromaticContact CH2-CE2 3.93Å; W215-W239 AromaticContact CH2-CE3 3.4Å; W215-W239 HydrophobicContact CH2-CE3 3.4Å; W215-W239 VanDerWaalsContact CH2-CE3 3.4Å; W215-W239 AromaticContact CH2-CH2 3.33Å; W215-W239 HydrophobicContact CH2-CH2 3.33Å; W215-W239 AromaticContact CH2-CZ2 3.73Å; W215-W239 HydrophobicContact CH2-CZ2 3.73Å; W215-W239 AromaticContact CH2-CZ3 3.12Å; W215-W239 HydrophobicContact CH2-CZ3 3.12Å; W215-W239 AromaticContact CZ2-CE3 3.84Å; W215-W239 HydrophobicContact CZ2-CE3 3.84Å; W215-W239 AromaticContact CZ2-CH2 3.89Å; W215-W239 HydrophobicContact CZ2-CH2 3.89Å; W215-W239 AromaticContact CZ2-CZ3 3.38Å; W215-W239 HydrophobicContact CZ2-CZ3 3.38Å; W215-W239 AromaticContact CZ3-CH2 3.9Å; W215-W239 HydrophobicContact CZ3-CH2 3.9Å; W215-W239 HydrophobicContact CZ3-CZ2 4.01Å; W215-W239 HydrophobicContact CZ3-CZ3 4.13Å; W215-T247 HydrophobicContact CZ2-CG2 3.52Å
216S64.8Low60.9Low0 Ų070.5 Ų70.50%035%0.354CS..G310 helixtrans-65.5-15.9172.1-59.40000112.2P174 G175 P213 V214P174-S216 CarbonylContact C-O 2.98Å; P174-S216 VanDerWaalsContact C-O 3.26Å; G175-S216 WeakPolarHBondContact CA-O 2.93Å; G175-S216 PolarHBondContact N-O 3.01Å; P213-S216 VanDerWaalsContact CD-OG 3.26Å; P213-S216 WeakPolarHBondContact CD-OG 3.26Å; P213-S216 WeakPolarHBondContact CG-OG 3.32Å; P213-S216 VanDerWaalsContact O-CB 3.24Å; P213-S216 WeakPolarHBondContact O-CB 3.5Å; P213-S216 PolarHBondContact O-N 3.29Å; P213-S216 PolarHBondContact O-OG 2.04Å; V214-S216 VanDerWaalsContact C-N 3.32Å; V214-S216 PolarHBondContact O-N 2.98Å
217T61.5Low60.1Low35 Ų3568.8 Ų68.822%0.21535%0.346CS..G310 helixtrans-77.9-2116853.60000113.7Y197 V214 W215 G219Y197-T217 HydrophobicContact CD1-CG2 4.45Å; Y197-T217 HydrophobicContact CE1-CG2 3.54Å; Y197-T217 HydrophobicContact CE2-CG2 4.21Å; Y197-T217 VanDerWaalsContact CZ-CG2 3.4Å; Y197-T217 WeakPolarHBondContact OH-CG2 3.34Å; V214-T217 PolarHBondContact O-N 2.91Å; V214-T217 PolarHBondContact O-OG1 3.14Å; W215-T217 PolarHBondContact O-N 2.72Å; T217-G219 VanDerWaalsContact C-N 3.31Å
218Y55.3Low59.2Low98 Ų9878.6 Ų78.638%0.38438%0.378SS..THydrogen-bonded Turntrans-82.3-8.8-177.1-60.5-60.6000113.3W215 P233W215-Y218 VanDerWaalsContact CA-CD2 3.47Å; W215-Y218 HydrophobicContact CB-CD2 4Å; W215-Y218 PolarHBondContact O-N 2.64Å; Y218-P233 HydrophobicContact CE2-CG 3.83Å
219G51.1Low57.8Low46 Ų4683.4 Ų83.447%0.47439%0.389SS..THydrogen-bonded Turntrans-103.44.417600000115P174 T217 P221P174-G219 CarbonylContact O-C 3.49Å; T217-G219 VanDerWaalsContact C-N 3.31Å; G219-P221 VanDerWaalsContact O-CD 3.25Å; G219-P221 WeakPolarHBondContact O-CD 3.35Å
220A53.2Low56.8Low15 Ų1587 Ų8712%0.12442%0.417CS..  trans-78.6113.2-172.900000111.9P174 Y222P174-A220 HydrophobicContact CB-CB 3.93Å; P174-A220 WeakPolarHBondContact O-CA 2.95Å; P174-A220 WeakPolarHBondContact O-CB 3.31Å; P174-A220 PolarHBondContact O-N 3.08Å; A220-Y222 HydrophobicContact CB-CD1 4.1Å; A220-Y222 HydrophobicContact CB-CE1 3.72Å; A220-Y222 PolarHBondContact O-N 2.94Å; A220-Y222 VanDerWaalsContact O-N 3.11Å
221P50.6Low55.3Low132 Ų13289.5 Ų89.586%0.85743%0.429SS*.THydrogen-bonded Turntrans-69.5-8.2-177.526.2-32.4000114G219G219-P221 VanDerWaalsContact O-CD 3.25Å; G219-P221 WeakPolarHBondContact O-CD 3.35Å
222Y52.8Low54.1Low133 Ų13394.4 Ų94.452%0.52245%0.449SS..THydrogen-bonded Turntrans-104.611.3-172.165.2-94.4000114.9P174 A220 P224P174-Y222 HydrophobicContact CB-CE1 3.61Å; P174-Y222 WeakPolarHBondContact CB-OH 3.21Å; A220-Y222 HydrophobicContact CB-CD1 4.1Å; A220-Y222 HydrophobicContact CB-CE1 3.72Å; A220-Y222 PolarHBondContact O-N 2.94Å; A220-Y222 VanDerWaalsContact O-N 3.11Å; Y222-P224 WeakPolarHBondContact O-CD 3.37Å
223R47.9Very low52.9Low138 Ų13895.9 Ų95.952%0.52146%0.458SS..  trans-97.597.2173.8-80-163.2176.3-119.53.3111.5W225R223-W225 PolarHBondContact O-N 3.13Å
224P46.6Very low52.2Low113 Ų11398.3 Ų98.373%0.73447%0.469SS*.THydrogen-bonded Turntrans-72.1-0.8-179.122.7-30.6000115.8Y222Y222-P224 WeakPolarHBondContact O-CD 3.37Å
225W37.2Very low51.6Low235 Ų23598.9 Ų98.989%0.8947%0.469SS*.THydrogen-bonded Turntrans-133.115.1-165.9-68.8107.5000116.8R223R223-W225 PolarHBondContact O-N 3.13Å
226R41.4Very low51.4Low159 Ų15998.9 Ų98.960%0.647%0.472SS*.  trans-107.7127.4169.9-76.2-155.7174-169.4-0.2111.1Y228R226-Y228 PolarHBondContact O-N 2.91Å
227P42Very low51.4Low84 Ų84106.3 Ų106.355%0.54550%0.501SS..  trans-53135.2165.5-16.127.5000107.4Y229P227-Y229 HydrophobicContact CB-CD2 4.12Å; P227-Y229 HydrophobicContact CB-CE2 4Å; P227-Y229 HydrophobicContact CG-CD2 4.4Å; P227-Y229 HydrophobicContact CG-CE2 3.86Å; P227-Y229 PolarHBondContact O-N 2.89Å
228Y46.6Very low51.7Low227 Ų227110.6 Ų110.689%0.8952%0.523SS*.  trans-56.281.9162.4-86.2-99.3000107.9R226 P230R226-Y228 PolarHBondContact O-N 2.91Å; Y228-P230 VanDerWaalsContact O-CD 3.23Å; Y228-P230 WeakPolarHBondContact O-CD 3.18Å
229Y41.6Very low52.1Low166 Ų166106.3 Ų106.365%0.65151%0.506SS*.  trans-68.6118166.2-81.4-79.9000105.4P227 F231P227-Y229 HydrophobicContact CB-CD2 4.12Å; P227-Y229 HydrophobicContact CB-CE2 4Å; P227-Y229 HydrophobicContact CG-CD2 4.4Å; P227-Y229 HydrophobicContact CG-CE2 3.86Å; P227-Y229 PolarHBondContact O-N 2.89Å; Y229-F231 PolarHBondContact O-N 2.78Å
230P52.2Low52.9Low112 Ų112106.7 Ų106.773%0.72750%0.5SS*.  trans-72.415.6174.433.2-34.5000111.5Y228 Y232Y228-P230 VanDerWaalsContact O-CD 3.23Å; Y228-P230 WeakPolarHBondContact O-CD 3.18Å; P230-Y232 PolarHBondContact O-N 3.07Å
231F47.7Very low53.5Low117 Ų117110.8 Ų110.851%0.51353%0.525SS..  trans-8892.1175.7-172.2-98.9000108.6Y229 P233Y229-F231 PolarHBondContact O-N 2.78Å; F231-P233 HydrophobicContact CE1-CB 4.49Å; F231-P233 WeakPolarHBondContact O-CD 3.18Å
232Y54.2Low54.3Low104 Ų104109.5 Ų109.541%0.40850%0.503SS..  trans-79.4115.6165.4-66.8-87000107.5P230 F234 W249P230-Y232 PolarHBondContact O-N 3.07Å; Y232-F234 PolarHBondContact O-N 2Å; Y232-W249 HydrophobicContact CD1-CZ2 4.19Å; Y232-W249 AromaticContact CE1-CZ2 3.53Å; Y232-W249 HydrophobicContact CE1-CZ2 3.53Å; Y232-W249 HydrophobicContact CE2-CZ2 4.44Å; Y232-W249 AromaticContact CZ-CZ2 3.67Å
233P54.8Low54.8Low30 Ų30103.2 Ų103.220%0.19548%0.479CS..PPolyproline II helixtrans-59.4137.8170.723.7-30.7000109.1V214 Y218 F231 M235V214-P233 HydrophobicContact CG1-CB 4.49Å; V214-P233 HydrophobicContact CG1-CG 3.79Å; Y218-P233 HydrophobicContact CE2-CG 3.83Å; F231-P233 HydrophobicContact CE1-CB 4.49Å; F231-P233 WeakPolarHBondContact O-CD 3.18Å; P233-M235 PolarHBondContact O-N 2.94Å
234F57.9Low55.6Low53 Ų53100.9 Ų100.923%0.23247%0.47CS..PPolyproline II helixtrans-59.2132.4178.8-63.7-80.7000109.9Q195 Y232 P236 Q263 L267Q195-F234 PolarHBondContact OE1-O 2.82Å; Y232-F234 PolarHBondContact O-N 2Å; F234-P236 VanDerWaalsContact O-CD 3.3Å; F234-P236 WeakPolarHBondContact O-CD 3.25Å; F234-Q263 HydrophobicContact CE1-CB 3.52Å; F234-Q263 HydrophobicContact CZ-CB 3.35Å; F234-Q263 HydrophobicContact CZ-CG 4.18Å; F234-L267 HydrophobicContact CD2-CD1 4.07Å; F234-L267 HydrophobicContact CD2-CD2 3.68Å; F234-L267 HydrophobicContact CD2-CG 4.4Å; F234-L267 HydrophobicContact CE2-CD1 3.22Å; F234-L267 HydrophobicContact CE2-CD2 3.54Å; F234-L267 HydrophobicContact CE2-CG 3.96Å; F234-L267 HydrophobicContact CZ-CD1 3.71Å
235M59.4Low56.4Low55 Ų5599 Ų9927%0.27146%0.464SS..PPolyproline II helixtrans-64121.5169.1-173160.659.800108.4W215 P233 R244 T247W215-M235 HydrophobicContact CH2-CB 4.42Å; W215-M235 HydrophobicContact CH2-CG 3.73Å; W215-M235 HydrophobicContact CH2-SD 4.01Å; W215-M235 HydrophobicContact CZ2-CG 4.31Å; W215-M235 HydrophobicContact CZ2-SD 3.97Å; W215-M235 HydrophobicContact CZ3-CG 4.26Å; P233-M235 PolarHBondContact O-N 2.94Å; M235-R244 HydrophobicContact CE-CB 3.7Å; M235-R244 HydrophobicContact CE-CG 3.74Å; M235-R244 HydrophobicContact SD-CB 4.32Å; M235-R244 HydrophobicContact SD-CG 4.09Å; M235-T247 HydrophobicContact SD-CG2 3.69Å
236P61.2Low57.4Low25 Ų2595 Ų9516%0.16245%0.449CS..PPolyproline II helixtrans-65.1138.7-177.2-23.134.4000111.8Q195 F234 N238 W239Q195-P236 HydrophobicContact CG-CG 4.21Å; F234-P236 VanDerWaalsContact O-CD 3.3Å; F234-P236 WeakPolarHBondContact O-CD 3.25Å; P236-N238 WeakPolarHBondContact CB-OD1 3.14Å; P236-N238 PolarHBondContact O-N 2.79Å; P236-W239 PolarHBondContact O-N 3.22Å; P236-W239 VanDerWaalsContact O-N 3.14Å
237Y63.6Low58.1Low155 Ų15587.9 Ų87.961%0.60842%0.423SS*.THydrogen-bonded Turntrans-65.6-8.5179.4-67.3-81.4000114.4R244 H264Y237-R244 PolarHBondContact O-NH2 3.08Å; Y237-H264 AromaticContact CE2-CD2 3.46Å; Y237-H264 VanDerWaalsContact CE2-CD2 3.46Å; Y237-H264 WeakPolarHBondContact CE2-CD2 3.5Å; Y237-H264 AromaticContact CE2-NE2 3.21Å; Y237-H264 WeakPolarHBondContact CE2-NE2 3.13Å; Y237-H264 AromaticContact CZ-CD2 3.61Å; Y237-H264 AromaticContact CZ-NE2 3.58Å; Y237-H264 PolarHBondContact OH-CD2 2.76Å; Y237-H264 PolarHBondContact OH-NE2 3.04Å
238N68.8Low58.6Low126 Ų12687.8 Ų87.867%0.67442%0.423SS*.THydrogen-bonded Turntrans-91.84.3176.366.1-12.4000113.3P236P236-N238 WeakPolarHBondContact CB-OD1 3.14Å; P236-N238 PolarHBondContact O-N 2.79Å
239W63.7Low58.8Low8 Ų881.5 Ų81.53%0.0340%0.397CS..SBendtrans-76.2145.1-179.6-83.143.7000112.7L179 Q195 P213 W215 P236 V243 R244L179-W239 HydrophobicContact CD1-CH2 3.79Å; L179-W239 HydrophobicContact CD1-CZ2 4.43Å; L179-W239 HydrophobicContact CD1-CZ3 4.15Å; L179-W239 HydrophobicContact CD2-CE3 3.86Å; L179-W239 HydrophobicContact CD2-CH2 3.96Å; L179-W239 HydrophobicContact CD2-CZ3 3.42Å; L179-W239 VanDerWaalsContact CD2-CZ3 3.42Å; L179-W239 HydrophobicContact CG-CH2 4.15Å; L179-W239 HydrophobicContact CG-CZ3 4.03Å; Q195-W239 HydrophobicContact CB-CZ2 4.38Å; P213-W239 HydrophobicContact CB-CH2 3.57Å; P213-W239 HydrophobicContact CB-CZ3 3.91Å; P213-W239 HydrophobicContact CG-CH2 3.99Å; P213-W239 HydrophobicContact CG-CZ3 3.92Å; W215-W239 AromaticContact CH2-CD2 3.82Å; W215-W239 HydrophobicContact CH2-CD2 3.82Å; W215-W239 AromaticContact CH2-CE2 3.93Å; W215-W239 AromaticContact CH2-CE3 3.4Å; W215-W239 HydrophobicContact CH2-CE3 3.4Å; W215-W239 VanDerWaalsContact CH2-CE3 3.4Å; W215-W239 AromaticContact CH2-CH2 3.33Å; W215-W239 HydrophobicContact CH2-CH2 3.33Å; W215-W239 AromaticContact CH2-CZ2 3.73Å; W215-W239 HydrophobicContact CH2-CZ2 3.73Å; W215-W239 AromaticContact CH2-CZ3 3.12Å; W215-W239 HydrophobicContact CH2-CZ3 3.12Å; W215-W239 AromaticContact CZ2-CE3 3.84Å; W215-W239 HydrophobicContact CZ2-CE3 3.84Å; W215-W239 AromaticContact CZ2-CH2 3.89Å; W215-W239 HydrophobicContact CZ2-CH2 3.89Å; W215-W239 AromaticContact CZ2-CZ3 3.38Å; W215-W239 HydrophobicContact CZ2-CZ3 3.38Å; W215-W239 AromaticContact CZ3-CH2 3.9Å; W215-W239 HydrophobicContact CZ3-CH2 3.9Å; W215-W239 HydrophobicContact CZ3-CZ2 4.01Å; W215-W239 HydrophobicContact CZ3-CZ3 4.13Å; P236-W239 PolarHBondContact O-N 3.22Å; P236-W239 VanDerWaalsContact O-N 3.14Å; W239-V243 HydrophobicContact CE3-CB 3.89Å; W239-V243 HydrophobicContact CE3-CG1 3.32Å; W239-V243 HydrophobicContact CE3-CG2 4.35Å; W239-V243 HydrophobicContact CZ3-CB 4.46Å; W239-V243 HydrophobicContact CZ3-CG1 3.47Å; W239-V243 VanDerWaalsContact CZ3-CG1 3.47Å; W239-R244 PolarHBondContact O-NE 3.14Å; W239-R244 PolarHBondContact O-NH2 3.2Å
240P67.2Low58.9Low53 Ų5375.4 Ų75.434%0.34439%0.385SS..  trans-56.3141.3178.4-24.132.4000112.5W242 V243 R244P240-W242 VanDerWaalsContact CB-CD1 3.45Å; P240-W242 HydrophobicContact CB-CD2 4.49Å; P240-W242 HydrophobicContact CB-CG 4.25Å; P240-W242 PolarHBondContact O-N 3.11Å; P240-W242 VanDerWaalsContact O-N 3.14Å; P240-V243 HydrophobicContact CB-CG2 4.08Å; P240-V243 HydrophobicContact CG-CG2 4.2Å; P240-V243 WeakPolarHBondContact O-CB 3.5Å; P240-V243 PolarHBondContact O-N 2.95Å; P240-R244 PolarHBondContact O-N 3.35Å
241P67Low58.5Low101 Ų10175.7 Ų75.766%0.65638%0.379SS*.Hα-helixtrans-55-36.3-176.3-27.634.4000113.9V243 R244 A245P241-V243 VanDerWaalsContact C-N 3.25Å; P241-V243 PolarHBondContact O-N 2.87Å; P241-R244 PolarHBondContact O-N 2.95Å; P241-A245 PolarHBondContact O-N 3.34Å
242W66.8Low58.4Low105 Ų10574.8 Ų74.840%0.39839%0.385SS..Hα-helixtrans-66.6-25.4179.767.2-100.3000113L179 P240 R246L179-W242 VanDerWaalsContact C-CH2 3.5Å; L179-W242 HydrophobicContact CD2-CH2 4.48Å; L179-W242 WeakPolarHBondContact O-CH2 3.38Å; P240-W242 VanDerWaalsContact CB-CD1 3.45Å; P240-W242 HydrophobicContact CB-CD2 4.49Å; P240-W242 HydrophobicContact CB-CG 4.25Å; P240-W242 PolarHBondContact O-N 3.11Å; P240-W242 VanDerWaalsContact O-N 3.14Å; W242-R246 WeakPolarHBondContact O-CG 3.23Å; W242-R246 PolarHBondContact O-N 3.29Å
243V64Low57.7Low2 Ų278.1 Ų78.11%0.01240%0.404CS..Hα-helixtrans-78.1-42.2174.6-1700000110.4L179 W239 P240 P241 A245 R246 T247L179-V243 HydrophobicContact CD2-CB 4.25Å; L179-V243 HydrophobicContact CD2-CG1 3.79Å; L179-V243 HydrophobicContact CD2-CG2 3.46Å; L179-V243 VanDerWaalsContact CD2-CG2 3.46Å; W239-V243 HydrophobicContact CE3-CB 3.89Å; W239-V243 HydrophobicContact CE3-CG1 3.32Å; W239-V243 HydrophobicContact CE3-CG2 4.35Å; W239-V243 HydrophobicContact CZ3-CB 4.46Å; W239-V243 HydrophobicContact CZ3-CG1 3.47Å; W239-V243 VanDerWaalsContact CZ3-CG1 3.47Å; P240-V243 HydrophobicContact CB-CG2 4.08Å; P240-V243 HydrophobicContact CG-CG2 4.2Å; P240-V243 WeakPolarHBondContact O-CB 3.5Å; P240-V243 PolarHBondContact O-N 2.95Å; P241-V243 VanDerWaalsContact C-N 3.25Å; P241-V243 PolarHBondContact O-N 2.87Å; V243-A245 VanDerWaalsContact C-N 3.26Å; V243-A245 PolarHBondContact O-N 3.06Å; V243-R246 PolarHBondContact O-N 3.14Å; V243-T247 PolarHBondContact O-N 3.36Å; V243-T247 VanDerWaalsContact O-N 3.15Å
244R63.3Low57Low88 Ų8877.9 Ų77.933%0.33241%0.407SS..Hα-helixtrans-57.2-43.8176.5-55.8-175.3-159.1171.35.4110.8M235 Y237 W239 P240 P241 R246 T247 G250M235-R244 HydrophobicContact CE-CB 3.7Å; M235-R244 HydrophobicContact CE-CG 3.74Å; M235-R244 HydrophobicContact SD-CB 4.32Å; M235-R244 HydrophobicContact SD-CG 4.09Å; Y237-R244 PolarHBondContact O-NH2 3.08Å; W239-R244 PolarHBondContact O-NE 3.14Å; W239-R244 PolarHBondContact O-NH2 3.2Å; P240-R244 PolarHBondContact O-N 3.35Å; P241-R244 PolarHBondContact O-N 2.95Å; R244-R246 VanDerWaalsContact C-N 3.26Å; R244-R246 PolarHBondContact O-N 3.35Å; R244-T247 PolarHBondContact O-N 3.25Å; R244-T247 PolarHBondContact O-OG1 3.33Å; R244-G250 WeakPolarHBondContact O-CA 3.36Å
245A62.9Low56.4Low74 Ų7481.1 Ų81.161%0.61243%0.433SS*.Hα-helixtrans-65.3-23.4178.200000114.4P241 V243P241-A245 PolarHBondContact O-N 3.34Å; V243-A245 VanDerWaalsContact C-N 3.26Å; V243-A245 PolarHBondContact O-N 3.06Å
246R59Low55.7Low152 Ų15284.2 Ų84.257%0.57444%0.443SS*.Hα-helixtrans-96.3-8.3179.8-71.9-179-173.1-179.83.3113.9A177 W242 V243 R244A177-R246 HydrophobicContact CB-CB 3.64Å; A177-R246 HydrophobicContact CB-CG 4.31Å; W242-R246 WeakPolarHBondContact O-CG 3.23Å; W242-R246 PolarHBondContact O-N 3.29Å; V243-R246 PolarHBondContact O-N 3.14Å; R244-R246 VanDerWaalsContact C-N 3.26Å; R244-R246 PolarHBondContact O-N 3.35Å
247T55.7Low54.8Low9 Ų985.6 Ų85.66%0.05546%0.456CS..SBendtrans-74.2139.7169.159.70000109.5W215 M235 V243 R244 W249 G250W215-T247 HydrophobicContact CZ2-CG2 3.52Å; M235-T247 HydrophobicContact SD-CG2 3.69Å; V243-T247 PolarHBondContact O-N 3.36Å; V243-T247 VanDerWaalsContact O-N 3.15Å; R244-T247 PolarHBondContact O-N 3.25Å; R244-T247 PolarHBondContact O-OG1 3.33Å; T247-W249 PolarHBondContact O-N 3.05Å; T247-G250 PolarHBondContact O-N 3.15Å; T247-G250 PolarHBondContact OG1-N 2.7Å
248P53.2Low53.9Low82 Ų8288.1 Ų88.153%0.53247%0.471SS..THydrogen-bonded Turntrans-54.9-17175.6-24.332.3000114
249W49.7Very low52.9Low95 Ų9585.5 Ų85.536%0.3646%0.459SS..THydrogen-bonded Turntrans-95.5-5.3-178.2-49.6111.6000113.9Y232 T247 L251 Y256Y232-W249 HydrophobicContact CD1-CZ2 4.19Å; Y232-W249 AromaticContact CE1-CZ2 3.53Å; Y232-W249 HydrophobicContact CE1-CZ2 3.53Å; Y232-W249 HydrophobicContact CE2-CZ2 4.44Å; Y232-W249 AromaticContact CZ-CZ2 3.67Å; T247-W249 PolarHBondContact O-N 3.05Å; W249-L251 VanDerWaalsContact C-N 3.25Å; W249-L251 PolarHBondContact O-N 3.4Å; W249-Y256 HydrophobicContact CE3-CD2 4.14Å; W249-Y256 AromaticContact CH2-CD2 3.93Å; W249-Y256 HydrophobicContact CH2-CD2 3.93Å; W249-Y256 AromaticContact CH2-CE2 3.82Å; W249-Y256 HydrophobicContact CH2-CE2 3.82Å; W249-Y256 HydrophobicContact CH2-CG 4.48Å; W249-Y256 AromaticContact CZ3-CD2 3.22Å; W249-Y256 HydrophobicContact CZ3-CD2 3.22Å; W249-Y256 AromaticContact CZ3-CE2 3.54Å; W249-Y256 HydrophobicContact CZ3-CE2 3.54Å; W249-Y256 AromaticContact CZ3-CG 3.83Å; W249-Y256 HydrophobicContact CZ3-CG 3.83Å
250G43.7Very low52Low37 Ų3790.1 Ų90.138%0.38148%0.481SS..  trans-79.92.2178.500000115R244 T247R244-G250 WeakPolarHBondContact O-CA 3.36Å; T247-G250 PolarHBondContact O-N 3.15Å; T247-G250 PolarHBondContact OG1-N 2.7Å
251L44.1Very low51.2Low118 Ų11896.2 Ų96.262%0.61850%0.502SS*.SBendtrans-91.1128.4178.3-74.1164.3000110.5W249 H253 G254W249-L251 VanDerWaalsContact C-N 3.25Å; W249-L251 PolarHBondContact O-N 3.4Å; L251-H253 PolarHBondContact O-N 3.08Å; L251-G254 PolarHBondContact O-N 2.77Å
252P45.3Very low50.4Low98 Ų9899.5 Ų99.564%0.63651%0.506SS*.THydrogen-bonded Turntrans-63.3-1.2-179.521.2-28.8000115
253H40.8Very low49.5Very low175 Ų17598.4 Ų98.481%0.8151%0.505SS*.THydrogen-bonded Turntrans-12710.9-172.4-59.8-64.7000114.8L251L251-H253 PolarHBondContact O-N 3.08Å
254G40.4Very low48.6Very low25 Ų25101.4 Ų101.426%0.25852%0.519SS..SBendtrans-71.4149.7172.500000112.2L251 Y256 A257L251-G254 PolarHBondContact O-N 2.77Å; G254-Y256 PolarHBondContact O-N 3.47Å; G254-A257 PolarHBondContact O-N 2.94Å
255P44Very low48Very low120 Ų120102.4 Ų102.478%0.77953%0.531SS*.THydrogen-bonded Turntrans-63.52.5-171.612.2-16.1000115.9
256Y45.9Very low47.2Very low120 Ų120104.7 Ų104.747%0.47153%0.533SS..THydrogen-bonded Turntrans-119.24.1-172.9-52.1-92.4000113.3W249 G254 K258 T259W249-Y256 HydrophobicContact CE3-CD2 4.14Å; W249-Y256 AromaticContact CH2-CD2 3.93Å; W249-Y256 HydrophobicContact CH2-CD2 3.93Å; W249-Y256 AromaticContact CH2-CE2 3.82Å; W249-Y256 HydrophobicContact CH2-CE2 3.82Å; W249-Y256 HydrophobicContact CH2-CG 4.48Å; W249-Y256 AromaticContact CZ3-CD2 3.22Å; W249-Y256 HydrophobicContact CZ3-CD2 3.22Å; W249-Y256 AromaticContact CZ3-CE2 3.54Å; W249-Y256 HydrophobicContact CZ3-CE2 3.54Å; W249-Y256 AromaticContact CZ3-CG 3.83Å; W249-Y256 HydrophobicContact CZ3-CG 3.83Å; G254-Y256 PolarHBondContact O-N 3.47Å; Y256-K258 PolarHBondContact O-N 3.31Å; Y256-K258 VanDerWaalsContact O-N 3.14Å; Y256-T259 PolarHBondContact O-N 3.31Å; Y256-T259 PolarHBondContact O-OG1 2.9Å
257A42.8Very low46.6Very low54 Ų54101.4 Ų101.445%0.44653%0.526SS..THydrogen-bonded Turntrans-60.5-24.2177.200000113.1G254G254-A257 PolarHBondContact O-N 2.94Å
258K44.5Very low46.3Very low208 Ų208104.2 Ų104.290%0.90454%0.543SS*.THydrogen-bonded Turntrans-79.3-15.5-178.4-64.8-174.4-179-179.70114Y256Y256-K258 PolarHBondContact O-N 3.31Å; Y256-K258 VanDerWaalsContact O-N 3.14Å
259T46.9Very low45.8Very low71 Ų71104.9 Ų104.944%0.43655%0.549SS..THydrogen-bonded Turntrans-91.6-15.417913.40000113.8Y256 K261 K262 Q263Y256-T259 PolarHBondContact O-N 3.31Å; Y256-T259 PolarHBondContact O-OG1 2.9Å; T259-K261 VanDerWaalsContact C-N 3.35Å; T259-K261 PolarHBondContact O-N 3.39Å; T259-K262 PolarHBondContact O-N 3.26Å; T259-Q263 PolarHBondContact O-N 3.4Å
260H45.7Very low45.4Very low105 Ų105104.2 Ų104.249%0.48656%0.56SS.*Hα-helixtrans-59.4-37.3-175.5-98.9-106.3000114.4
261K49Very low45.1Very low182 Ų182107.2 Ų107.279%0.79158%0.575SS**Hα-helixtrans-79.8-26.5-176-155.8169.6-174.5175.40113T259T259-K261 VanDerWaalsContact C-N 3.35Å; T259-K261 PolarHBondContact O-N 3.39Å
262K50.3Low44.6Very low170 Ų170106.8 Ų106.874%0.73958%0.577SS**Hα-helixtrans-81.2-38.1-176-126.2176.2-176-178.20111.9T259 L266T259-K262 PolarHBondContact O-N 3.26Å; K262-L266 WeakPolarHBondContact O-CD1 3.47Å
263Q48.1Very low43.9Very low81 Ų81110.7 Ų110.738%0.37959%0.587SS.*Hα-helixtrans-78.2-29.7-179.9-66.2-176.2-42.200113.6F234 T259 N265 L266 L267F234-Q263 HydrophobicContact CE1-CB 3.52Å; F234-Q263 HydrophobicContact CZ-CB 3.35Å; F234-Q263 HydrophobicContact CZ-CG 4.18Å; T259-Q263 PolarHBondContact O-N 3.4Å; Q263-N265 VanDerWaalsContact C-N 3.28Å; Q263-N265 PolarHBondContact O-N 2.89Å; Q263-L266 PolarHBondContact O-N 3.05Å; Q263-L267 VanDerWaalsContact O-CD1 3.25Å; Q263-L267 WeakPolarHBondContact O-CD1 3.41Å; Q263-L267 PolarHBondContact O-N 3.49Å
264H45.1Very low43.5Very low66 Ų66110 Ų11031%0.30658%0.584SS.*Hα-helixtrans-57.9-40.8174.5-170.5-96.3000111.9Y237 L266 L267 T268Y237-H264 AromaticContact CE2-CD2 3.46Å; Y237-H264 VanDerWaalsContact CE2-CD2 3.46Å; Y237-H264 WeakPolarHBondContact CE2-CD2 3.5Å; Y237-H264 AromaticContact CE2-NE2 3.21Å; Y237-H264 WeakPolarHBondContact CE2-NE2 3.13Å; Y237-H264 AromaticContact CZ-CD2 3.61Å; Y237-H264 AromaticContact CZ-NE2 3.58Å; Y237-H264 PolarHBondContact OH-CD2 2.76Å; Y237-H264 PolarHBondContact OH-NE2 3.04Å; H264-L266 VanDerWaalsContact C-N 3.3Å; H264-L266 PolarHBondContact O-N 3.06Å; H264-L267 PolarHBondContact O-N 3.01Å; H264-T268 PolarHBondContact CE1-OG1 3.46Å; H264-T268 VanDerWaalsContact CE1-OG1 3.32Å; H264-T268 PolarHBondContact ND1-OG1 3.21Å; H264-T268 VanDerWaalsContact O-CB 3.29Å; H264-T268 WeakPolarHBondContact O-CB 3.35Å; H264-T268 PolarHBondContact O-N 2.88Å; H264-T268 PolarHBondContact O-OG1 2.63Å
265N50.2Low43Very low108 Ų108116.1 Ų116.158%0.57861%0.61SS**Hα-helixtrans-72.3-19.7177.5-82-5.9000114.2Q263 S269Q263-N265 VanDerWaalsContact C-N 3.28Å; Q263-N265 PolarHBondContact O-N 2.89Å; N265-S269 VanDerWaalsContact O-CB 3.3Å; N265-S269 WeakPolarHBondContact O-CB 3.31Å; N265-S269 PolarHBondContact O-N 2.89Å; N265-S269 PolarHBondContact O-OG 3.19Å
266L47.7Very low42.6Very low123 Ų123119.9 Ų119.964%0.64461%0.61SS**Hα-helixtrans-81.5-31.9177.4-84147.7000112.2K262 Q263 H264 S270K262-L266 WeakPolarHBondContact O-CD1 3.47Å; Q263-L266 PolarHBondContact O-N 3.05Å; H264-L266 VanDerWaalsContact C-N 3.3Å; H264-L266 PolarHBondContact O-N 3.06Å; L266-S270 PolarHBondContact O-OG 3.14Å
267L46.1Very low42.1Very low82 Ų82119.5 Ų119.543%0.42963%0.625SS.*Hα-helixtrans-93.9-27.8177.2-73.989.6000113.5F234 Q263 H264 S269 S270F234-L267 HydrophobicContact CD2-CD1 4.07Å; F234-L267 HydrophobicContact CD2-CD2 3.68Å; F234-L267 HydrophobicContact CD2-CG 4.4Å; F234-L267 HydrophobicContact CE2-CD1 3.22Å; F234-L267 HydrophobicContact CE2-CD2 3.54Å; F234-L267 HydrophobicContact CE2-CG 3.96Å; F234-L267 HydrophobicContact CZ-CD1 3.71Å; Q263-L267 VanDerWaalsContact O-CD1 3.25Å; Q263-L267 WeakPolarHBondContact O-CD1 3.41Å; Q263-L267 PolarHBondContact O-N 3.49Å; H264-L267 PolarHBondContact O-N 3.01Å; L267-S269 VanDerWaalsContact C-N 3.29Å; L267-S270 PolarHBondContact O-N 2.94Å; L267-S270 PolarHBondContact O-OG 2.98Å
268T48.3Very low41.6Very low69 Ų69121.7 Ų121.742%0.42364%0.637SS.*Hα-helixtrans-73.3-26.4175-41.90000111.3H264 S270 S271H264-T268 PolarHBondContact CE1-OG1 3.46Å; H264-T268 VanDerWaalsContact CE1-OG1 3.32Å; H264-T268 PolarHBondContact ND1-OG1 3.21Å; H264-T268 VanDerWaalsContact O-CB 3.29Å; H264-T268 WeakPolarHBondContact O-CB 3.35Å; H264-T268 PolarHBondContact O-N 2.88Å; H264-T268 PolarHBondContact O-OG1 2.63Å; T268-S270 VanDerWaalsContact C-N 3.28Å; T268-S271 WeakPolarHBondContact O-CB 3.29Å; T268-S271 PolarHBondContact O-N 3.11Å; T268-S271 PolarHBondContact O-OG 2.93Å
269S43.6Very low41.4Very low95 Ų95117.1 Ų117.166%0.66463%0.629SS**THydrogen-bonded Turntrans-79.5-6.3170.8-55.90000113.5N265 L267 S271N265-S269 VanDerWaalsContact O-CB 3.3Å; N265-S269 WeakPolarHBondContact O-CB 3.31Å; N265-S269 PolarHBondContact O-N 2.89Å; N265-S269 PolarHBondContact O-OG 3.19Å; L267-S269 VanDerWaalsContact C-N 3.29Å; S269-S271 VanDerWaalsContact C-N 3.3Å
270S40.2Very low40.7Very low82 Ų82119.8 Ų119.857%0.57364%0.641SS**THydrogen-bonded Turntrans-90.79.2170.7-29.50000112.6L266 L267 T268 V272L266-S270 PolarHBondContact O-OG 3.14Å; L267-S270 PolarHBondContact O-N 2.94Å; L267-S270 PolarHBondContact O-OG 2.98Å; T268-S270 VanDerWaalsContact C-N 3.28Å; S270-V272 PolarHBondContact O-N 3.05Å
271S37.6Very low40.2Very low100 Ų100124.5 Ų124.570%0.69966%0.655SS**  trans-74.352.7170.261.20000111.5T268 S269T268-S271 WeakPolarHBondContact O-CB 3.29Å; T268-S271 PolarHBondContact O-N 3.11Å; T268-S271 PolarHBondContact O-OG 2.93Å; S269-S271 VanDerWaalsContact C-N 3.3Å
272V34.3Very low39.5Very low109 Ų109123 Ų12366%0.66165%0.651SS**SBendtrans-88.8119.3152.4176.10000105S270 Q274S270-V272 PolarHBondContact O-N 3.05Å; V272-Q274 PolarHBondContact O-N 2.99Å
273Q29.9Very low38.9Very low180 Ų180123.5 Ų123.584%0.84166%0.656SS**  trans-33.7109.1165.5-72.2155.7-68.400110.5
274Q33.2Very low38.4Very low161 Ų161127.5 Ų127.575%0.75268%0.675SS**  trans-118.381.4162.6-76.3-170.8-18.100107.4V272 Y276V272-Q274 PolarHBondContact O-N 2.99Å; Q274-Y276 HydrophobicContact CB-CD2 4.42Å; Q274-Y276 PolarHBondContact O-N 3.18Å
275D30.4Very low37.9Very low152 Ų152130.7 Ų130.781%0.81369%0.694SS**  trans-4394.7135.4-87.9-56.9000108.6
276Y35.6Very low37.2Very low200 Ų200136.4 Ų136.478%0.78471%0.709SS**  trans-147.994.7163.1-95.1-77.2000110.3Q274Q274-Y276 HydrophobicContact CB-CD2 4.42Å; Q274-Y276 PolarHBondContact O-N 3.18Å
277S34.1Very low36.5Very low111 Ų111133.6 Ų133.678%0.77671%0.709SS**  trans16.1126.6141.6-54.80000118.7
278S32.8Very low36Very low101 Ų101136.8 Ų136.871%0.70673%0.727SS**  trans-46.8139.1165.1-76.70000111.9N280S278-N280 PolarHBondContact O-N 3.23Å; S278-N280 VanDerWaalsContact O-N 3.14Å
279P39.7Very low35.4Very low111 Ų111143.5 Ų143.572%0.72175%0.746SS**  trans-69.1112163.627.3-27.8000108.2Y281P279-Y281 WeakPolarHBondContact O-CD1 3.36Å; P279-Y281 PolarHBondContact O-N 3.2Å
280N33.7Very low35.1Very low128 Ų128145.9 Ų145.968%0.68475%0.747SS**  trans-59.1119.9167.5-161.5-9.2000108S278 E282S278-N280 PolarHBondContact O-N 3.23Å; S278-N280 VanDerWaalsContact O-N 3.14Å; N280-E282 VanDerWaalsContact C-N 3.28Å; N280-E282 PolarHBondContact O-N 3.07Å
281Y33.9Very low34.9Very low204 Ų204147.5 Ų147.580%0.875%0.749SS**  trans-78.982.11756-91.5000107.6P279 E283P279-Y281 WeakPolarHBondContact O-CD1 3.36Å; P279-Y281 PolarHBondContact O-N 3.2Å; Y281-E283 VanDerWaalsContact C-N 3.31Å; Y281-E283 PolarHBondContact O-N 3.11Å
282E34.5Very low34.9Very low150 Ų150150.4 Ų150.470%0.70175%0.751SS**  trans-76.789.2167.5-85.6-177.4126.300110.1N280 H284N280-E282 VanDerWaalsContact C-N 3.28Å; N280-E282 PolarHBondContact O-N 3.07Å; E282-H284 PolarHBondContact O-N 3.23Å; E282-H284 PolarHBondContact O-ND1 3.38Å
283E37Very low35Very low180 Ų180150.7 Ų150.784%0.84175%0.753SS**  trans-16.7105146.8-158.5170.9151.600114.2Y281Y281-E283 VanDerWaalsContact C-N 3.31Å; Y281-E283 PolarHBondContact O-N 3.11Å
284H38.4Very low35.3Very low166 Ų166146.9 Ų146.977%0.76975%0.746SS**  trans-120.380.5165.4-78.467.2000109E282E282-H284 PolarHBondContact O-N 3.23Å; E282-H284 PolarHBondContact O-ND1 3.38Å
285N35.2Very low35.5Very low132 Ų132146.7 Ų146.771%0.70675%0.751SS**  trans176107.2146.9-116.9-52.7000109
286Y34.6Very low36Very low229 Ų229144.7 Ų144.790%0.89874%0.743SS**  -172.5100.5126.6-102.6-73.8000106.8
287G34.3Very low36Very low63 Ų63146.4 Ų146.465%0.64975%0.75SS**  trans-66.6148.5165.700000110.3
288N33.7Very low36.4Very low149 Ų149147.8 Ų147.880%0.79775%0.749SS**  trans76.6106.1153.6-134.7-7.9000116.1
289Y35.6Very low36.8Very low211 Ų211146.4 Ų146.483%0.82775%0.751SS**  trans170.390.5140.7-94-71.7000106.1
290Q37.3Very low36.8Very low145 Ų145146.3 Ų146.368%0.67875%0.748SS**  66.3112.6105.3-83.4-167.6-28.400115.2
291N36.7Very low37.1Very low115 Ų115148.4 Ų148.462%0.61576%0.758SS**  80.5130.3125.8-73.3-25.9000121.2
292H37.8Very low37.4Very low162 Ų162146.8 Ų146.875%0.7576%0.758SS**  trans72.4132156.2-60.1-59.1000115.1
293T36.3Very low37.6Very low114 Ų114149.5 Ų149.570%0.69977%0.767SS**  cis-178.2125.121.712.20000104.9
294S36.4Very low37.8Very low101 Ų101145.9 Ų145.971%0.70676%0.762SS**  49.5113.5101.4-41.90000116.1
295N37.5Very low37.7Very low157 Ų157143.8 Ų143.884%0.8476%0.761SS**  trans158.798.6145.3-81.1-25.1000108.1
296V40Very low38Very low109 Ų109147.8 Ų147.866%0.66177%0.767SS**  55.1103.471.2-171.50000113.9
297Y37.4Very low38.5Very low237 Ų237147.1 Ų147.193%0.92979%0.787SS**  trans-154.389.4147.2-108.5-84.2000106.7
298N40.8Very low38.8Very low140 Ų140151.4 Ų151.475%0.74979%0.793SS**  66.5126.580.8-105.3-12000116.8
299G41.3Very low39Very low72 Ų72151.5 Ų151.574%0.74279%0.793SS**  trans138.964170.500000112.1
300T39.6Very low39.2Very low109 Ų109148.2 Ų148.267%0.66979%0.791SS**  61.8102.771.4-39.80000114.6
301L41.4Very low39.3Very low172 Ų172148.4 Ų148.490%0.90180%0.798SS**  -157.8111.8129.9-115154.1000111.9
302H39Very low39.5Very low169 Ų169150.4 Ų150.478%0.78281%0.809SS**  trans-58154.3175.4-110.8-138.4000114.2
303K39.4Very low39.6Very low207 Ų207149.7 Ų149.790%0.981%0.813SS**  -170.7138.1127.5-103.1164-173.3-176.20112.8
304S40.3Very low39.8Very low104 Ų104152.2 Ų152.273%0.72782%0.822SS**  trans114.883.6166.9-157.80000112.4
305V36.7Very low40.1Very low123 Ų123156.2 Ų156.275%0.74583%0.83SS**  59110.686.1-178.60000112
306Y41.3Very low40.3Very low216 Ų216156.1 Ų156.185%0.84783%0.83SS**  trans-166.7124.5131.1-100.2-75.8000109.3
307V46.5Very low40.3Very low215 Ų215160.4 Ų160.4100%1.30385%0.845SS**  trans71.30176.9-158.90000117.1

Retrieved 307 of 307 residues in 101.8 ms (Link to these results)