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Growth-regulating factor 1

Transcription activator that plays a role in the regulation of cell expansion in developing leaves1. Component of a network formed by the microRNA396 (miRNA396), the GRFs and their interacting factors (GIFs) acting in the regulation of meristem function and the transition between cell division and cell expansion in growing leaves2.

AlphaFold DB , UniProt , Accession A0A060D764, Species MAIZE (Zea mays, Maize), Gene GRF1, Length 408 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
1M64.1Low53.2Low232 Ų232139.7 Ų139.7100%1.14384%0.836SS**  0103.50-65.667.717500106
2A49.8Very low52.3Low101 Ų101133.7 Ų133.784%0.83582%0.823SS**  80100.972.400000112
3M60.5Low51.6Low182 Ų182131.7 Ų131.790%0.89783%0.829SS**  trans-86.3162.7166.9-65.2-74.9-176.900109.9
4P67.7Low50.8Low120 Ų120128.7 Ų128.778%0.77982%0.823SS**  -139.7150.2111.134-20.1000112.6
5Y52.6Low50.1Low218 Ų218131 Ų13186%0.85583%0.826SS**  cis101.9103.736.6-148.1-74000113.3
6A53.8Low49.6Very low92 Ų92134.8 Ų134.876%0.7683%0.83SS**  trans172.396.5152.200000107.6
7S47.7Very low48.6Very low97 Ų97140 Ų14068%0.67883%0.831SS**  73.210375.2-167.30000114
8L52.2Low48.1Very low166 Ų166137.8 Ų137.887%0.86982%0.824SS**  -172.8138.9116.1-93.8164.7000111.5
9S43.1Very low47.6Very low109 Ų109135.6 Ų135.676%0.76282%0.816SS**  trans-153168.6173.9-103.70000105.4
10P48.2Very low47.3Very low116 Ų116135.1 Ų135.175%0.75381%0.813SS**  cis-147.1-172.83242.7-22.5000116.5
11A45.9Very low46.9Very low104 Ų104133.1 Ų133.186%0.8681%0.811SS**  trans63.4146.9155.500000118.7
12G41.5Very low45.9Very low67 Ų67128.3 Ų128.369%0.69180%0.795SS**  cis172.5172.1-4.200000111.1
13A43.6Very low45.4Very low108 Ų108127 Ų12789%0.89378%0.784SS**  trans62.5134.1172.500000118.3
14A40.1Very low44.5Very low90 Ų90123.6 Ų123.674%0.74478%0.778SS**  trans-82.9149.4169.600000110.7
15D40.6Very low43.4Very low163 Ų163125.3 Ų125.387%0.87278%0.78SS**  trans-161.2126.6141.5-105.5-33000111.9R17D15-R17 PolarHBondContact O-N 3.45Å; D15-R17 VanDerWaalsContact O-N 3.07Å
16H41.6Very low43.3Very low192 Ų192119.3 Ų119.389%0.88977%0.766SS**  trans-78.389.5178.5-99.8-86.5000110.7S18H16-S18 PolarHBondContact O-N 2.92Å
17R33.4Very low43Very low223 Ų223121.4 Ų121.484%0.84277%0.772SS**  trans-102.163.8179.7-154.6177.2-179.2-152-0.6113.7D15 S19D15-R17 PolarHBondContact O-N 3.45Å; D15-R17 VanDerWaalsContact O-N 3.07Å; R17-S19 PolarHBondContact O-N 3.16Å
18S40.1Very low42.8Very low101 Ų101125 Ų12571%0.70678%0.776SS**  trans-96.662.7163.9-62.50000110.5H16 T20H16-S18 PolarHBondContact O-N 2.92Å; S18-T20 PolarHBondContact O-N 3.23Å
19S37.5Very low42.4Very low96 Ų96122.8 Ų122.867%0.67177%0.773SS**  trans-77.374.6171.6-57.10000110.2R17 A21R17-S19 PolarHBondContact O-N 3.16Å; S19-A21 PolarHBondContact O-N 3.19Å
20T41.5Very low42.5Very low125 Ų125129 Ų12977%0.76778%0.779SS**  trans-69.586.4166.4-270000107.7S18 T22S18-T20 PolarHBondContact O-N 3.23Å; T20-T22 VanDerWaalsContact C-N 3.26Å; T20-T22 PolarHBondContact O-N 3.32Å
21A39.2Very low42.3Very low94 Ų94128.9 Ų128.978%0.77778%0.782SS**  trans-6985177.800000109.5S19 A23S19-A21 PolarHBondContact O-N 3.19Å; A21-A23 VanDerWaalsContact C-N 3.28Å; A21-A23 PolarHBondContact O-N 3.49Å
22T43Very low42.6Very low130 Ų130129.7 Ų129.780%0.79878%0.776SS**  trans-62.196.5160.746.20000107.3T20 S24T20-T22 VanDerWaalsContact C-N 3.26Å; T20-T22 PolarHBondContact O-N 3.32Å; T22-S24 PolarHBondContact O-N 2.96Å; T22-S24 VanDerWaalsContact O-N 3.08Å
23A39.3Very low42.8Very low74 Ų74132.3 Ų132.361%0.61278%0.781SS**  trans-55116.5177.500000108.8A21 L25A21-A23 VanDerWaalsContact C-N 3.28Å; A21-A23 PolarHBondContact O-N 3.49Å; A23-L25 HydrophobicContact CB-CG 4.37Å; A23-L25 PolarHBondContact O-N 3.32Å
24S41Very low43.1Very low110 Ų110135.6 Ų135.677%0.76978%0.782SS**  trans-71.880.1178.2-168.40000109.6T22 V26T22-S24 PolarHBondContact O-N 2.96Å; T22-S24 VanDerWaalsContact O-N 3.08Å; S24-V26 PolarHBondContact O-N 3.41Å
25L46Very low43.3Very low156 Ų156137.1 Ų137.182%0.81779%0.788SS**  trans-79.957.2178.5-76.4169.2000111.3A23A23-L25 HydrophobicContact CB-CG 4.37Å; A23-L25 PolarHBondContact O-N 3.32Å
26V49.2Very low43.6Very low93 Ų93134.3 Ų134.356%0.56479%0.787SS**  trans-148.9102.5164.9-90.30000110.7S24 F28S24-V26 PolarHBondContact O-N 3.41Å; V26-F28 PolarHBondContact O-N 2.85Å
27P47.2Very low43.7Very low136 Ų136128.8 Ų128.888%0.88378%0.782SS**  trans-80.564.7166.935-33.7000109.5
28F44.6Very low44Very low173 Ų173122.4 Ų122.476%0.75979%0.785SS**  trans-126.2130178.4-113.2-99.7000110.5V26V26-F28 PolarHBondContact O-N 2.85Å
29C43.2Very low44.5Very low118 Ų118121.2 Ų121.280%0.79779%0.789SS**  trans6368.1174.4-53.60000115.9
30R45.1Very low44.7Very low239 Ų239125.5 Ų125.590%0.90280%0.804SS**  trans-107.379.6161.6-155.3175.7-172.6-179.41110.6T32R30-T32 PolarHBondContact O-N 3.16Å; R30-T32 VanDerWaalsContact O-N 3.16Å
31S44.4Very low45.1Very low115 Ų115123.2 Ų123.280%0.80481%0.805SS**  trans-71.6101.6175.6-53.90000110.4
32T52.3Low45.3Very low121 Ų121127.8 Ų127.874%0.74281%0.81SS**  trans-78.2124.7169.914.80000110.3R30 L34R30-T32 PolarHBondContact O-N 3.16Å; R30-T32 VanDerWaalsContact O-N 3.16Å; T32-L34 PolarHBondContact O-N 3.49Å
33P46.2Very low45.7Very low122 Ų122131 Ų13179%0.79282%0.817SS**  trans-72.3120.8168.529.6-31.6000109.2S35P33-S35 PolarHBondContact O-N 3.2Å; P33-S35 VanDerWaalsContact O-N 3.16Å
34L48.9Very low45.8Very low176 Ų176135.5 Ų135.592%0.92183%0.83SS**  trans-74.9100.9170.1-79.7164.2000108.8T32 A36T32-L34 PolarHBondContact O-N 3.49Å; L34-A36 PolarHBondContact O-N 3.32Å
35S45.7Very low46.1Very low123 Ų123134.1 Ų134.186%0.8683%0.826SS**  trans-75.6118.3171.7-170.30000109.7P33P33-S35 PolarHBondContact O-N 3.2Å; P33-S35 VanDerWaalsContact O-N 3.16Å
36A45.3Very low46Very low104 Ų104136.1 Ų136.186%0.8683%0.831SS**  trans-105100.5177.100000110.4L34L34-A36 PolarHBondContact O-N 3.32Å
37G45.4Very low45.6Very low76 Ų76136.4 Ų136.478%0.78484%0.843SS**  trans-108.7141.7153.200000107.8
38G39.5Very low45.8Very low88 Ų88135.2 Ų135.291%0.90784%0.838SS**  cis113.96922.300000108.4
39G49Very low45.9Very low77 Ų77131.4 Ų131.479%0.79484%0.838SS**  trans-141.3116.7-17700000109.8
40L43.7Very low46.2Very low185 Ų185136.8 Ų136.897%0.96984%0.842SS**  trans-83.3145.8177.9-66160.9000109.7
41G48.2Very low46.7Very low78 Ų78136.3 Ų136.380%0.80484%0.84SS**  trans-174.294.5177.700000109.9
42E44Very low47Very low189 Ų189136.1 Ų136.188%0.88384%0.836SS**  trans-70.9136.7170.5-68.6151.384.500109.9
43E52.2Low47.1Very low199 Ų199135 Ų13593%0.9384%0.84SS**  trans-170.9148132.2-106.4179.1104.300111.4
44D41Very low47.7Very low168 Ų168133.2 Ų133.290%0.89884%0.835SS**  trans-68.6132-173.4-108.3-75.4000114
45A47.6Very low48.4Very low81 Ų81135.3 Ų135.367%0.66983%0.831SS**  trans-178.8108.2144.100000113.9A47A45-A47 PolarHBondContact O-N 3.31Å
46Q43.1Very low49.1Very low197 Ų197135 Ų13592%0.92183%0.826SS**  trans43.141.4135-154.984.510.600118.5S48Q46-S48 PolarHBondContact O-N 3.08Å
47A41.2Very low50.2Low99 Ų99136.1 Ų136.182%0.81882%0.822SS**  trans-87.293.5-17900000112.4A45A45-A47 PolarHBondContact O-N 3.31Å
48S50.6Low51.5Low112 Ų112137.3 Ų137.378%0.78381%0.813SS**  trans-49.2142162.71790000110.4Q46 R50Q46-S48 PolarHBondContact O-N 3.08Å; S48-R50 PolarHBondContact O-N 3.38Å
49A47.1Very low53.4Low93 Ų93137.1 Ų137.177%0.76980%0.796SS**  trans-60.767.5-165.300000115.4W51A49-W51 PolarHBondContact O-N 3.2Å
50R49.6Very low55Low230 Ų230137.4 Ų137.487%0.86878%0.776SS**  trans-85.191.4169.3-176.1178-71.4-174.1-1.7106.7S48S48-R50 PolarHBondContact O-N 3.38Å
51W55Low57.2Low229 Ų229132.1 Ų132.187%0.86775%0.751SS**  trans-41.2126.7161.4-7385.1000108.1A49 A53A49-W51 PolarHBondContact O-N 3.2Å; W51-A53 PolarHBondContact O-N 3.15Å; W51-A53 VanDerWaalsContact O-N 3.11Å
52P51.7Low59.1Low111 Ų111133.8 Ų133.872%0.72175%0.748SS**  trans-55127.7178.523.7-32.8000106.6A54P52-A54 PolarHBondContact O-N 3.09Å
53A55Low61.2Low99 Ų99128 Ų12882%0.81873%0.733SS**  trans-6388.5-170.900000109.3W51 R55W51-A53 PolarHBondContact O-N 3.15Å; W51-A53 VanDerWaalsContact O-N 3.11Å; A53-R55 PolarHBondContact O-N 3.22Å
54A58.9Low63Low84 Ų84123.1 Ų123.169%0.69471%0.71SS**  trans-60.9113.2-176.700000106.2P52 P56P52-A54 PolarHBondContact O-N 3.09Å; A54-P56 VanDerWaalsContact O-N 3.16Å
55R62.2Low65.4Low220 Ų220118.4 Ų118.483%0.8368%0.68SS**  trans-45.9127.3172-63.717465.6-136.60.6106.1A53 V57A53-R55 PolarHBondContact O-N 3.22Å; R55-V57 PolarHBondContact O-N 2.84Å
56P60.6Low67.4Low117 Ų117121.1 Ų121.176%0.7668%0.679SS**  trans-53.1111.2-171.519.4-31.9000108.4A54 V58A54-P56 VanDerWaalsContact O-N 3.16Å; P56-V58 PolarHBondContact O-N 3.15Å
57V68.4Low69.6Low127 Ų127115.5 Ų115.577%0.7765%0.652SS**  trans-71.391.8178.6178.50000104.8R55 P59R55-V57 PolarHBondContact O-N 2.84Å; V57-P59 WeakPolarHBondContact O-CD 3.39Å; V57-P59 VanDerWaalsContact O-N 3.08Å
58V72.4Confident72Confident100 Ų100113.3 Ų113.361%0.60663%0.627SS**  trans-62.5111.9171.8-170.50000105P56 F60 Y65P56-V58 PolarHBondContact O-N 3.15Å; V58-F60 WeakPolarHBondContact CG1-O 3.44Å; V58-F60 PolarHBondContact O-N 2.84Å; V58-F60 VanDerWaalsContact O-N 3.11Å; V58-Y65 HydrophobicContact CG1-CE2 4.15Å
59P80.1Confident74Confident85 Ų85111.3 Ų111.355%0.55261%0.605SS**SBendtrans-69.8-15.3-165.226.9-34.3000112.5V57V57-P59 WeakPolarHBondContact O-CD 3.39Å; V57-P59 VanDerWaalsContact O-N 3.08Å
60F82.6Confident76.1Confident82 Ų82108.7 Ų108.736%0.3658%0.577SS.*SBendtrans-137.1141.6-179.6-59.3-67.2000110.8V58 Q64 Y65 L68V58-F60 WeakPolarHBondContact CG1-O 3.44Å; V58-F60 PolarHBondContact O-N 2.84Å; V58-F60 VanDerWaalsContact O-N 3.11Å; F60-Q64 HydrophobicContact CB-CB 3.79Å; F60-Q64 HydrophobicContact CD1-CB 3.99Å; F60-Q64 HydrophobicContact CG-CB 4.3Å; F60-Y65 HydrophobicContact CB-CD2 3.71Å; F60-Y65 HydrophobicContact CB-CE1 4.43Å; F60-Y65 HydrophobicContact CB-CE2 3.63Å; F60-Y65 HydrophobicContact CB-CG 4.17Å; F60-Y65 HydrophobicContact CD2-CD1 4.49Å; F60-Y65 AromaticContact CD2-CE1 3.96Å; F60-Y65 HydrophobicContact CD2-CE1 3.96Å; F60-Y65 HydrophobicContact CD2-CE2 4.43Å; F60-Y65 AromaticContact CD2-CZ 3.92Å; F60-Y65 WeakPolarHBondContact O-CE2 3.35Å; F60-L68 HydrophobicContact CE2-CD2 4.4Å
61T89.3Confident78.2Confident74 Ų74102.3 Ų102.345%0.45456%0.557SS.*  trans-65.9159.1163.3590000110.5A63 Q64 Y65T61-A63 PolarHBondContact O-N 3.5Å; T61-Q64 WeakPolarHBondContact O-CA 3.46Å; T61-Q64 WeakPolarHBondContact O-CB 3.38Å; T61-Q64 PolarHBondContact O-N 3.46Å; T61-Q64 WeakPolarHBondContact OG1-CG 3.29Å; T61-Q64 PolarHBondContact OG1-N 3.28Å; T61-Q64 PolarHBondContact OG1-OE1 3.4Å; T61-Y65 PolarHBondContact O-N 3.04Å
62P88.9Confident80Confident114 Ų11492 Ų9274%0.7452%0.52SS*.Hα-helixtrans-54.1-37.8177.2-28.136000113.6Q64 Y65 Q66P62-Q64 PolarHBondContact O-N 2.89Å; P62-Y65 PolarHBondContact O-N 3.49Å; P62-Q66 PolarHBondContact O-N 2.9Å
63A87.5Confident82Confident68 Ų6890.6 Ų90.656%0.56251%0.506SS*.Hα-helixtrans-66.8-33.7175.400000113.3T61 Q66 E67T61-A63 PolarHBondContact O-N 3.5Å; A63-Q66 PolarHBondContact O-N 3.24Å; A63-E67 PolarHBondContact O-N 2.99Å
64Q90.5Very high83.8Confident96 Ų9686.8 Ų86.845%0.44947%0.472SS..Hα-helixtrans-72-33.3173.8-76.7166.9-53.600112.2F60 T61 P62 L68F60-Q64 HydrophobicContact CB-CB 3.79Å; F60-Q64 HydrophobicContact CD1-CB 3.99Å; F60-Q64 HydrophobicContact CG-CB 4.3Å; T61-Q64 WeakPolarHBondContact O-CA 3.46Å; T61-Q64 WeakPolarHBondContact O-CB 3.38Å; T61-Q64 PolarHBondContact O-N 3.46Å; T61-Q64 WeakPolarHBondContact OG1-CG 3.29Å; T61-Q64 PolarHBondContact OG1-N 3.28Å; T61-Q64 PolarHBondContact OG1-OE1 3.4Å; P62-Q64 PolarHBondContact O-N 2.89Å; Q64-L68 VanDerWaalsContact O-CB 3.31Å; Q64-L68 WeakPolarHBondContact O-CB 3.43Å; Q64-L68 PolarHBondContact O-N 3.45Å
65Y91.2Very high85.5Confident69 Ų6987.8 Ų87.827%0.27146%0.459SS..Hα-helixtrans-63.5-44.4170.5-84.8-68.5000111.5V58 F60 T61 P62 E67 L68 E69 L353V58-Y65 HydrophobicContact CG1-CE2 4.15Å; F60-Y65 HydrophobicContact CB-CD2 3.71Å; F60-Y65 HydrophobicContact CB-CE1 4.43Å; F60-Y65 HydrophobicContact CB-CE2 3.63Å; F60-Y65 HydrophobicContact CB-CG 4.17Å; F60-Y65 HydrophobicContact CD2-CD1 4.49Å; F60-Y65 AromaticContact CD2-CE1 3.96Å; F60-Y65 HydrophobicContact CD2-CE1 3.96Å; F60-Y65 HydrophobicContact CD2-CE2 4.43Å; F60-Y65 AromaticContact CD2-CZ 3.92Å; F60-Y65 WeakPolarHBondContact O-CE2 3.35Å; T61-Y65 PolarHBondContact O-N 3.04Å; P62-Y65 PolarHBondContact O-N 3.49Å; Y65-E67 PolarHBondContact O-N 3.23Å; Y65-L68 WeakPolarHBondContact O-CB 3.24Å; Y65-L68 PolarHBondContact O-N 3.42Å; Y65-E69 WeakPolarHBondContact O-CG 3.46Å; Y65-E69 PolarHBondContact O-N 3.07Å; Y65-L353 HydrophobicContact CD1-CD1 3.84Å; Y65-L353 HydrophobicContact CE1-CD1 4.32Å
66Q90.5Very high87Confident138 Ų13882.3 Ų82.365%0.64544%0.441SS*.Hα-helixtrans-62.1-41.3176.9-172.8-179.4000112.7P62 A63 E69 Q70P62-Q66 PolarHBondContact O-N 2.9Å; A63-Q66 PolarHBondContact O-N 3.24Å; Q66-E69 PolarHBondContact O-N 2.82Å; Q66-Q70 PolarHBondContact O-N 3.29Å
67E88.5Confident88.5Confident78 Ų7881 Ų8136%0.36442%0.421SS..Hα-helixtrans-65.1-41.3173.9178.359.7-152.700111.5A63 Y65 E69 Q70 Q71A63-E67 PolarHBondContact O-N 2.99Å; Y65-E67 PolarHBondContact O-N 3.23Å; E67-E69 PolarHBondContact O-N 3.44Å; E67-Q70 PolarHBondContact O-N 3.24Å; E67-Q70 PolarHBondContact OE2-NE2 3.07Å; E67-Q71 VanDerWaalsContact O-CG 3.3Å; E67-Q71 WeakPolarHBondContact O-CG 3.45Å; E67-Q71 PolarHBondContact O-N 3.49Å; E67-Q71 PolarHBondContact OE1-NE2 3.12Å
68L92.1Very high89.8Confident54 Ų5480.2 Ų80.228%0.28341%0.412SS..Hα-helixtrans-62.7-41175.9-174.368.7000111.8F60 Q64 Y65 Q71 A72 F357F60-L68 HydrophobicContact CE2-CD2 4.4Å; Q64-L68 VanDerWaalsContact O-CB 3.31Å; Q64-L68 WeakPolarHBondContact O-CB 3.43Å; Q64-L68 PolarHBondContact O-N 3.45Å; Y65-L68 WeakPolarHBondContact O-CB 3.24Å; Y65-L68 PolarHBondContact O-N 3.42Å; L68-Q71 PolarHBondContact O-N 3.31Å; L68-A72 WeakPolarHBondContact O-CB 3.4Å; L68-A72 PolarHBondContact O-N 2.88Å; L68-F357 HydrophobicContact CD2-CZ 4.4Å
69E92.5Very high90.9Very high69 Ų6980 Ų8032%0.32241%0.411SS..Hα-helixtrans-61-42.5173.3-76177.8-175.600112.2Y65 Q66 E67 A72 L73 L353Y65-E69 WeakPolarHBondContact O-CG 3.46Å; Y65-E69 PolarHBondContact O-N 3.07Å; Q66-E69 PolarHBondContact O-N 2.82Å; E67-E69 PolarHBondContact O-N 3.44Å; E69-A72 WeakPolarHBondContact O-CB 3.41Å; E69-A72 PolarHBondContact O-N 3.49Å; E69-L73 WeakPolarHBondContact O-CG 3.39Å; E69-L73 PolarHBondContact O-N 2.7Å; E69-L353 HydrophobicContact CG-CD2 3.57Å; E69-L353 HydrophobicContact CG-CG 4.23Å; E69-L353 WeakPolarHBondContact OE1-CD1 3.11Å; E69-L353 WeakPolarHBondContact OE1-CG 3.18Å
70Q91Very high91.5Very high38 Ų3879.1 Ų79.118%0.17841%0.411CS..Hα-helixtrans-64.3-44.9176.8-171-177.1-95.100111.4Q66 E67 L73 I74 L88Q66-Q70 PolarHBondContact O-N 3.29Å; E67-Q70 PolarHBondContact O-N 3.24Å; E67-Q70 PolarHBondContact OE2-NE2 3.07Å; Q70-L73 PolarHBondContact O-N 3.35Å; Q70-I74 HydrophobicContact CG-CD1 4.34Å; Q70-I74 VanDerWaalsContact O-CG1 3.29Å; Q70-I74 WeakPolarHBondContact O-CG1 3.25Å; Q70-I74 PolarHBondContact O-N 3.02Å; Q70-L88 HydrophobicContact CG-CD2 4.41Å
71Q92.5Very high92Very high96 Ų9678.6 Ų78.645%0.44943%0.428SS..Hα-helixtrans-62.8-42.3175.7-69.6173.85.900111.9E67 L68 I74 Y75E67-Q71 VanDerWaalsContact O-CG 3.3Å; E67-Q71 WeakPolarHBondContact O-CG 3.45Å; E67-Q71 PolarHBondContact O-N 3.49Å; E67-Q71 PolarHBondContact OE1-NE2 3.12Å; L68-Q71 PolarHBondContact O-N 3.31Å; Q71-I74 PolarHBondContact O-N 3.11Å; Q71-Y75 WeakPolarHBondContact O-CB 3.49Å; Q71-Y75 PolarHBondContact O-N 3.39Å
72A93.7Very high92.1Very high12 Ų1278.4 Ų78.410%0.09943%0.427CS..Hα-helixtrans-58.7-44.7174.200000113L68 E69 Y75 K76 F356L68-A72 WeakPolarHBondContact O-CB 3.4Å; L68-A72 PolarHBondContact O-N 2.88Å; E69-A72 WeakPolarHBondContact O-CB 3.41Å; E69-A72 PolarHBondContact O-N 3.49Å; A72-Y75 PolarHBondContact O-N 3.18Å; A72-K76 PolarHBondContact O-N 2.99Å; A72-F356 HydrophobicContact CB-CD1 4.27Å; A72-F356 HydrophobicContact CB-CD2 4.23Å; A72-F356 HydrophobicContact CB-CE1 3.61Å; A72-F356 HydrophobicContact CB-CE2 3.58Å; A72-F356 HydrophobicContact CB-CZ 3.22Å
73L93.2Very high92.2Very high82 Ų8278.6 Ų78.643%0.42943%0.429SS..Hα-helixtrans-63.3-47.1175.5-74.3170.8000111.4E69 Q70 Y75 K76 Y77 L88E69-L73 WeakPolarHBondContact O-CG 3.39Å; E69-L73 PolarHBondContact O-N 2.7Å; Q70-L73 PolarHBondContact O-N 3.35Å; L73-Y75 VanDerWaalsContact C-N 3.3Å; L73-Y75 PolarHBondContact O-N 3.2Å; L73-K76 WeakPolarHBondContact O-CB 3.37Å; L73-K76 PolarHBondContact O-N 3.19Å; L73-Y77 WeakPolarHBondContact O-CD2 3.28Å; L73-Y77 PolarHBondContact O-N 3.12Å; L73-L88 HydrophobicContact CB-CD1 4.06Å; L73-L88 HydrophobicContact CD1-CD2 4.38Å
74I93Very high92.3Very high19 Ų1977 Ų7710%0.09741%0.412CS..Hα-helixtrans-57.5-45.6177.3-67.4165.9000110.6Q70 Q71 K76 Y77 L78 V84 L88 I92Q70-I74 HydrophobicContact CG-CD1 4.34Å; Q70-I74 VanDerWaalsContact O-CG1 3.29Å; Q70-I74 WeakPolarHBondContact O-CG1 3.25Å; Q70-I74 PolarHBondContact O-N 3.02Å; Q71-I74 PolarHBondContact O-N 3.11Å; I74-K76 VanDerWaalsContact C-N 3.33Å; I74-K76 PolarHBondContact O-N 3.36Å; I74-Y77 PolarHBondContact O-N 3.2Å; I74-L78 HydrophobicContact CG2-CD1 3.96Å; I74-L78 HydrophobicContact CG2-CG 4.4Å; I74-L78 WeakPolarHBondContact O-CG 3.42Å; I74-L78 PolarHBondContact O-N 3.36Å; I74-V84 HydrophobicContact CB-CG1 4.36Å; I74-V84 HydrophobicContact CG1-CG1 3.95Å; I74-V84 HydrophobicContact CG2-CG1 4.13Å; I74-V84 HydrophobicContact CG2-CG2 4.33Å; I74-L88 HydrophobicContact CD1-CB 4.1Å; I74-L88 HydrophobicContact CG1-CB 3.74Å; I74-L88 HydrophobicContact CG1-CD1 4.16Å; I74-I92 HydrophobicContact CD1-CD1 3.35Å
75Y94Very high92.3Very high106 Ų10674.2 Ų74.242%0.41640%0.402SS..Hα-helixtrans-59.3-41.3175-179.2-105.4000112.4Q71 A72 L73 Y77 L78 V79 W360Q71-Y75 WeakPolarHBondContact O-CB 3.49Å; Q71-Y75 PolarHBondContact O-N 3.39Å; A72-Y75 PolarHBondContact O-N 3.18Å; L73-Y75 VanDerWaalsContact C-N 3.3Å; L73-Y75 PolarHBondContact O-N 3.2Å; Y75-Y77 PolarHBondContact O-N 3.33Å; Y75-L78 PolarHBondContact O-N 3.47Å; Y75-V79 HydrophobicContact CD1-CG2 4.12Å; Y75-V79 HydrophobicContact CD2-CG2 4.09Å; Y75-V79 HydrophobicContact CE1-CG2 3.68Å; Y75-V79 HydrophobicContact CE2-CG2 3.64Å; Y75-V79 HydrophobicContact CG-CG2 4.31Å; Y75-V79 VanDerWaalsContact CZ-CG2 3.41Å; Y75-V79 WeakPolarHBondContact O-CG2 3.21Å; Y75-V79 PolarHBondContact O-N 3.43Å; Y75-W360 HydrophobicContact CD1-CH2 4.48Å; Y75-W360 HydrophobicContact CD1-CZ3 4.4Å; Y75-W360 HydrophobicContact CE1-CH2 4.17Å; Y75-W360 HydrophobicContact CE1-CZ3 4.33Å
76K94Very high92Very high104 Ų10475 Ų7545%0.45242%0.415SS..Hα-helixtrans-60.9-41.3175.9-171.5163.3-175160.60112.3A72 L73 I74 A80 E359A72-K76 PolarHBondContact O-N 2.99Å; L73-K76 WeakPolarHBondContact O-CB 3.37Å; L73-K76 PolarHBondContact O-N 3.19Å; I74-K76 VanDerWaalsContact C-N 3.33Å; I74-K76 PolarHBondContact O-N 3.36Å; K76-A80 VanDerWaalsContact O-CB 3.24Å; K76-A80 WeakPolarHBondContact O-CB 3.49Å; K76-A80 PolarHBondContact O-N 3Å; K76-A80 VanDerWaalsContact O-N 3.08Å; K76-E359 IonicContact NZ-OE1 2.9Å; K76-E359 IonicContact NZ-OE2 2.69Å; K76-E359 PolarHBondContact NZ-OE2 3.06Å
77Y93.7Very high91.9Very high89 Ų8974.6 Ų74.635%0.34942%0.418SS..Hα-helixtrans-65.3-43.7173.9-76.2-80.3000112.3L73 I74 Y75 A80 G81 V82 P85 L88L73-Y77 WeakPolarHBondContact O-CD2 3.28Å; L73-Y77 PolarHBondContact O-N 3.12Å; I74-Y77 PolarHBondContact O-N 3.2Å; Y75-Y77 PolarHBondContact O-N 3.33Å; Y77-A80 PolarHBondContact O-N 3.31Å; Y77-G81 PolarHBondContact O-N 3.3Å; Y77-V82 HydrophobicContact CD1-CG2 3.67Å; Y77-V82 HydrophobicContact CG-CG2 4.45Å; Y77-V82 WeakPolarHBondContact O-CG2 3.14Å; Y77-V82 PolarHBondContact O-N 3.14Å; Y77-P85 HydrophobicContact CD1-CG 4.37Å; Y77-P85 HydrophobicContact CD2-CG 4.45Å; Y77-P85 HydrophobicContact CE1-CG 3.87Å; Y77-P85 HydrophobicContact CE2-CG 3.96Å; Y77-L88 HydrophobicContact CD2-CD1 3.89Å; Y77-L88 HydrophobicContact CE2-CD1 3.74Å
78L94.5Very high91.8Very high111 Ų11172.4 Ų72.458%0.58141%0.408SS*.Hα-helixtrans-62.5-45.8178.8-69.1172.1000112.5I74 Y75 A80 G81 V84I74-L78 HydrophobicContact CG2-CD1 3.96Å; I74-L78 HydrophobicContact CG2-CG 4.4Å; I74-L78 WeakPolarHBondContact O-CG 3.42Å; I74-L78 PolarHBondContact O-N 3.36Å; Y75-L78 PolarHBondContact O-N 3.47Å; L78-A80 VanDerWaalsContact C-N 3.32Å; L78-A80 PolarHBondContact O-N 2.94Å; L78-G81 PolarHBondContact O-N 3.35Å; L78-G81 VanDerWaalsContact O-N 3.16Å; L78-V84 HydrophobicContact CD2-CG2 3.78Å; L78-V84 HydrophobicContact CG-CG2 3.96Å
79V94.8Very high91.5Very high96 Ų9672 Ų7258%0.58241%0.408SS*.Hα-helixtrans-66.1-35177172.70000111.7Y75 G81Y75-V79 HydrophobicContact CD1-CG2 4.12Å; Y75-V79 HydrophobicContact CD2-CG2 4.09Å; Y75-V79 HydrophobicContact CE1-CG2 3.68Å; Y75-V79 HydrophobicContact CE2-CG2 3.64Å; Y75-V79 HydrophobicContact CG-CG2 4.31Å; Y75-V79 VanDerWaalsContact CZ-CG2 3.41Å; Y75-V79 WeakPolarHBondContact O-CG2 3.21Å; Y75-V79 PolarHBondContact O-N 3.43Å; V79-G81 PolarHBondContact O-N 3.27Å
80A94Very high91.2Very high67 Ų6771 Ų7155%0.55441%0.406SS*.THydrogen-bonded Turntrans-76.40175.500000114K76 Y77 L78 V82K76-A80 VanDerWaalsContact O-CB 3.24Å; K76-A80 WeakPolarHBondContact O-CB 3.49Å; K76-A80 PolarHBondContact O-N 3Å; K76-A80 VanDerWaalsContact O-N 3.08Å; Y77-A80 PolarHBondContact O-N 3.31Å; L78-A80 VanDerWaalsContact C-N 3.32Å; L78-A80 PolarHBondContact O-N 2.94Å; A80-V82 HydrophobicContact CB-CG2 3.79Å; A80-V82 PolarHBondContact O-N 3.04Å
81G92.5Very high90.8Very high70 Ų7071.4 Ų71.472%0.72241%0.412SS*.THydrogen-bonded Turntrans67.114.717700000114.9Y77 L78 V79Y77-G81 PolarHBondContact O-N 3.3Å; L78-G81 PolarHBondContact O-N 3.35Å; L78-G81 VanDerWaalsContact O-N 3.16Å; V79-G81 PolarHBondContact O-N 3.27Å
82V91.3Very high90.3Very high70 Ų7070.3 Ų70.342%0.42441%0.409SS..SBendtrans-102.5149.4-177.8-77.90000111Y77 A80 V84Y77-V82 HydrophobicContact CD1-CG2 3.67Å; Y77-V82 HydrophobicContact CG-CG2 4.45Å; Y77-V82 WeakPolarHBondContact O-CG2 3.14Å; Y77-V82 PolarHBondContact O-N 3.14Å; A80-V82 HydrophobicContact CB-CG2 3.79Å; A80-V82 PolarHBondContact O-N 3.04Å; V82-V84 PolarHBondContact O-N 3.23Å
83P90.6Very high89.8Confident119 Ų11977.4 Ų77.477%0.77343%0.433SS*.PPolyproline II helixtrans-61.5128.7179.925.5-34.4000110.8P85P83-P85 WeakPolarHBondContact O-CD 3.48Å
84V89.9Confident89.2Confident34 Ų3481.2 Ų81.221%0.20644%0.442CS..PPolyproline II helixtrans-65.4127.1177.7-173.10000109.3I74 L78 V82 L88 V89I74-V84 HydrophobicContact CB-CG1 4.36Å; I74-V84 HydrophobicContact CG1-CG1 3.95Å; I74-V84 HydrophobicContact CG2-CG1 4.13Å; I74-V84 HydrophobicContact CG2-CG2 4.33Å; L78-V84 HydrophobicContact CD2-CG2 3.78Å; L78-V84 HydrophobicContact CG-CG2 3.96Å; V82-V84 PolarHBondContact O-N 3.23Å; V84-L88 HydrophobicContact CG1-CB 4.24Å; V84-L88 HydrophobicContact CG1-CD1 4.33Å; V84-V89 HydrophobicContact CB-CG1 4.31Å; V84-V89 HydrophobicContact CG1-CG1 3.79Å
85P90.1Very high88.5Confident38 Ų3881.8 Ų81.825%0.24745%0.452CS..PPolyproline II helixtrans-53.4137.4176.8-29.234.9000112.8Y77 P83 D87 L88Y77-P85 HydrophobicContact CD1-CG 4.37Å; Y77-P85 HydrophobicContact CD2-CG 4.45Å; Y77-P85 HydrophobicContact CE1-CG 3.87Å; Y77-P85 HydrophobicContact CE2-CG 3.96Å; P83-P85 WeakPolarHBondContact O-CD 3.48Å; P85-D87 PolarHBondContact O-N 3.31Å; P85-D87 VanDerWaalsContact O-N 3.16Å; P85-L88 HydrophobicContact CB-CG 4.46Å; P85-L88 HydrophobicContact CG-CD1 4.38Å; P85-L88 PolarHBondContact O-N 3.38Å; P85-L88 VanDerWaalsContact O-N 3.11Å
86P85.6Confident87.9Confident85 Ų8582 Ų8255%0.55246%0.46SS*.Hα-helixtrans-58.4-33.8-17623.1-33.4000112.3L88 V89 V90P86-L88 PolarHBondContact O-N 3.06Å; P86-V89 VanDerWaalsContact O-CG2 3.25Å; P86-V89 WeakPolarHBondContact O-CG2 3.31Å; P86-V89 PolarHBondContact O-N 2.93Å; P86-V89 VanDerWaalsContact O-N 3.13Å; P86-V90 WeakPolarHBondContact O-CB 3.22Å; P86-V90 VanDerWaalsContact O-CG2 3.25Å; P86-V90 WeakPolarHBondContact O-CG2 3.28Å; P86-V90 PolarHBondContact O-N 3.48Å
87D87.8Confident87.1Confident130 Ų13081.2 Ų81.270%0.69546%0.461SS*.Hα-helixtrans-63.6-26.9-178.6-57.5-46.4000113.5P85 P91P85-D87 PolarHBondContact O-N 3.31Å; P85-D87 VanDerWaalsContact O-N 3.16Å; D87-P91 WeakPolarHBondContact O-CD 3.3Å
88L87.8Confident86.2Confident31 Ų3179.6 Ų79.616%0.16246%0.462CS..Hα-helixtrans-79.5-32.2175.4-61.1179.5000112.4Q70 L73 I74 Y77 V84 P85 P86Q70-L88 HydrophobicContact CG-CD2 4.41Å; L73-L88 HydrophobicContact CB-CD1 4.06Å; L73-L88 HydrophobicContact CD1-CD2 4.38Å; I74-L88 HydrophobicContact CD1-CB 4.1Å; I74-L88 HydrophobicContact CG1-CB 3.74Å; I74-L88 HydrophobicContact CG1-CD1 4.16Å; Y77-L88 HydrophobicContact CD2-CD1 3.89Å; Y77-L88 HydrophobicContact CE2-CD1 3.74Å; V84-L88 HydrophobicContact CG1-CB 4.24Å; V84-L88 HydrophobicContact CG1-CD1 4.33Å; P85-L88 HydrophobicContact CB-CG 4.46Å; P85-L88 HydrophobicContact CG-CD1 4.38Å; P85-L88 PolarHBondContact O-N 3.38Å; P85-L88 VanDerWaalsContact O-N 3.11Å; P86-L88 PolarHBondContact O-N 3.06Å
89V85.3Confident85.3Confident47 Ų4777.6 Ų77.629%0.28545%0.452SS..Hα-helixtrans-90.6-21.5-179-63.70000113.3V84 P86 I92 R93V84-V89 HydrophobicContact CB-CG1 4.31Å; V84-V89 HydrophobicContact CG1-CG1 3.79Å; P86-V89 VanDerWaalsContact O-CG2 3.25Å; P86-V89 WeakPolarHBondContact O-CG2 3.31Å; P86-V89 PolarHBondContact O-N 2.93Å; P86-V89 VanDerWaalsContact O-N 3.13Å; V89-I92 PolarHBondContact O-N 3.36Å; V89-R93 WeakPolarHBondContact O-CB 3.44Å; V89-R93 WeakPolarHBondContact O-CG 3.29Å; V89-R93 PolarHBondContact O-N 3.48Å
90V84.9Confident84.2Confident46 Ų4674.8 Ų74.828%0.27944%0.439SS..Hα-helixtrans-58.4-44.6177160.70000113P86 I92 R93 R94P86-V90 WeakPolarHBondContact O-CB 3.22Å; P86-V90 VanDerWaalsContact O-CG2 3.25Å; P86-V90 WeakPolarHBondContact O-CG2 3.28Å; P86-V90 PolarHBondContact O-N 3.48Å; V90-I92 PolarHBondContact O-N 2.67Å; V90-R93 PolarHBondContact O-N 3.42Å; V90-R94 VanDerWaalsContact CG1-NH2 3.34Å; V90-R94 WeakPolarHBondContact O-CG 3.49Å; V90-R94 PolarHBondContact O-N 3.23Å
91P82.8Confident82.9Confident47 Ų4773.5 Ų73.531%0.30542%0.424SS..Hα-helixtrans-58.2-44.4173.7-26.636000112.8D87 R94 G95D87-P91 WeakPolarHBondContact O-CD 3.3Å; P91-R94 PolarHBondContact O-N 3.42Å; P91-G95 PolarHBondContact O-N 2.93Å
92I83.8Confident81.6Confident74 Ų7478.4 Ų78.438%0.37942%0.421SS..Hα-helixtrans-64.6-45.2178.1-60.3179.9000110.7I74 V89 V90 G95 L96I74-I92 HydrophobicContact CD1-CD1 3.35Å; V89-I92 PolarHBondContact O-N 3.36Å; V90-I92 PolarHBondContact O-N 2.67Å; I92-G95 CarbonylContact O-C 3.58Å; I92-G95 WeakPolarHBondContact O-CA 3.42Å; I92-G95 PolarHBondContact O-N 3.33Å; I92-G95 VanDerWaalsContact O-N 3.16Å; I92-L96 WeakPolarHBondContact O-CB 3.35Å; I92-L96 PolarHBondContact O-N 3.5Å
93R82.5Confident80.3Confident161 Ų16181.9 Ų81.961%0.60843%0.43SS*.Hα-helixtrans-59.9-49.5176-73-178.566.3-172.50.5111.2V89 V90 G95 L96 D97V89-R93 WeakPolarHBondContact O-CB 3.44Å; V89-R93 WeakPolarHBondContact O-CG 3.29Å; V89-R93 PolarHBondContact O-N 3.48Å; V90-R93 PolarHBondContact O-N 3.42Å; R93-G95 VanDerWaalsContact C-N 3.26Å; R93-G95 PolarHBondContact O-N 3.17Å; R93-L96 CarbonylContact O-C 3.57Å; R93-L96 PolarHBondContact O-N 3.22Å; R93-L96 VanDerWaalsContact O-N 3.14Å; R93-D97 WeakPolarHBondContact O-CB 3.21Å; R93-D97 PolarHBondContact O-N 2.95Å; R93-D97 VanDerWaalsContact O-OD2 3.06Å
94R79.6Confident79Confident161 Ų16185.2 Ų85.261%0.60843%0.429SS*.Hα-helixtrans-59.9-35.9174.2-68.5-166.5-143.9127.4-1.2112.5V90 P91 S98V90-R94 VanDerWaalsContact CG1-NH2 3.34Å; V90-R94 WeakPolarHBondContact O-CG 3.49Å; V90-R94 PolarHBondContact O-N 3.23Å; P91-R94 PolarHBondContact O-N 3.42Å; R94-S98 VanDerWaalsContact O-CB 3.24Å; R94-S98 WeakPolarHBondContact O-CB 3.25Å; R94-S98 PolarHBondContact O-N 3.25Å; R94-S98 PolarHBondContact O-OG 3.06Å
95G78.9Confident77.2Confident31 Ų3186 Ų8632%0.3245%0.445SS..Hα-helixtrans-63.7-46.2174.400000112.1P91 I92 R93 S98 L99P91-G95 PolarHBondContact O-N 2.93Å; I92-G95 CarbonylContact O-C 3.58Å; I92-G95 WeakPolarHBondContact O-CA 3.42Å; I92-G95 PolarHBondContact O-N 3.33Å; I92-G95 VanDerWaalsContact O-N 3.16Å; R93-G95 VanDerWaalsContact C-N 3.26Å; R93-G95 PolarHBondContact O-N 3.17Å; G95-S98 WeakPolarHBondContact O-CB 3.22Å; G95-S98 PolarHBondContact O-N 3.49Å; G95-L99 WeakPolarHBondContact O-CG 3.46Å; G95-L99 PolarHBondContact O-N 3.44Å
96L82.3Confident75.3Confident112 Ų11290.6 Ų90.659%0.58646%0.462SS*.Hα-helixtrans-65.6-43.7175-177.662000111.8I92 R93 S98 L99 A100I92-L96 WeakPolarHBondContact O-CB 3.35Å; I92-L96 PolarHBondContact O-N 3.5Å; R93-L96 CarbonylContact O-C 3.57Å; R93-L96 PolarHBondContact O-N 3.22Å; R93-L96 VanDerWaalsContact O-N 3.14Å; L96-S98 VanDerWaalsContact C-N 3.27Å; L96-S98 PolarHBondContact O-N 2.78Å; L96-L99 CarbonylContact O-C 3.59Å; L96-L99 PolarHBondContact O-N 3.41Å; L96-A100 VanDerWaalsContact O-CB 3.3Å; L96-A100 WeakPolarHBondContact O-CB 3.25Å; L96-A100 PolarHBondContact O-N 2.85Å
97D77.4Confident73.4Confident87 Ų8791.1 Ų91.147%0.46547%0.466SS..Hα-helixtrans-61.5-36.5174-64.7-36.6000110.8R93 T101R93-D97 WeakPolarHBondContact O-CB 3.21Å; R93-D97 PolarHBondContact O-N 2.95Å; R93-D97 VanDerWaalsContact O-OD2 3.06Å; D97-T101 WeakPolarHBondContact O-CB 3.47Å; D97-T101 PolarHBondContact O-N 3.49Å; D97-T101 PolarHBondContact O-OG1 3.41Å
98S74.5Confident71.7Confident54 Ų5489.6 Ų89.638%0.37846%0.462SS..Hα-helixtrans-71.5-37.8174.9-61.40000112.4R94 G95 L96 T101 R102R94-S98 VanDerWaalsContact O-CB 3.24Å; R94-S98 WeakPolarHBondContact O-CB 3.25Å; R94-S98 PolarHBondContact O-N 3.25Å; R94-S98 PolarHBondContact O-OG 3.06Å; G95-S98 WeakPolarHBondContact O-CB 3.22Å; G95-S98 PolarHBondContact O-N 3.49Å; L96-S98 VanDerWaalsContact C-N 3.27Å; L96-S98 PolarHBondContact O-N 2.78Å; S98-T101 WeakPolarHBondContact O-CB 3.44Å; S98-T101 PolarHBondContact O-N 3.44Å; S98-R102 WeakPolarHBondContact O-CG 3.48Å; S98-R102 PolarHBondContact O-N 3.13Å; S98-R102 VanDerWaalsContact O-N 3.07Å
99L74.6Confident70.1Confident70 Ų7096.2 Ų96.237%0.36650%0.496SS..Hα-helixtrans-66.9-44.5172-72.1165.9000110.5G95 L96 T101 R102 F103G95-L99 WeakPolarHBondContact O-CG 3.46Å; G95-L99 PolarHBondContact O-N 3.44Å; L96-L99 CarbonylContact O-C 3.59Å; L96-L99 PolarHBondContact O-N 3.41Å; L99-T101 VanDerWaalsContact C-N 3.29Å; L99-T101 PolarHBondContact O-N 2.87Å; L99-R102 VanDerWaalsContact CD2-NH2 3.33Å; L99-R102 CarbonylContact O-C 3.59Å; L99-R102 WeakPolarHBondContact O-CA 3.49Å; L99-R102 PolarHBondContact O-N 3.49Å; L99-F103 HydrophobicContact CB-CD2 4.3Å; L99-F103 HydrophobicContact CB-CE2 4.46Å; L99-F103 HydrophobicContact CD2-CE2 4.04Å; L99-F103 WeakPolarHBondContact O-CD2 3.34Å; L99-F103 PolarHBondContact O-N 3.11Å
100A71.5Confident68Low36 Ų3697.6 Ų97.630%0.29852%0.52SS..Hα-helixtrans-61.9-35.9172.800000111.7L96 R102 F103 Y104 G105L96-A100 VanDerWaalsContact O-CB 3.3Å; L96-A100 WeakPolarHBondContact O-CB 3.25Å; L96-A100 PolarHBondContact O-N 2.85Å; A100-R102 VanDerWaalsContact C-N 3.28Å; A100-R102 PolarHBondContact O-N 3.26Å; A100-F103 PolarHBondContact O-N 3.16Å; A100-Y104 HydrophobicContact CB-CD2 4.17Å; A100-Y104 CarbonylContact O-C 3.54Å; A100-Y104 VanDerWaalsContact O-CA 3.27Å; A100-Y104 WeakPolarHBondContact O-CA 3.4Å; A100-Y104 VanDerWaalsContact O-CB 3.27Å; A100-Y104 WeakPolarHBondContact O-CB 3.47Å; A100-Y104 PolarHBondContact O-N 2.87Å; A100-G105 PolarHBondContact O-N 3.29Å
101T66.6Low66.1Low40 Ų40107 Ų10725%0.24555%0.552CS.*Iπ-helixtrans-62.6-36171.8-59.80000111.8D97 S98 L99 G105 P107D97-T101 WeakPolarHBondContact O-CB 3.47Å; D97-T101 PolarHBondContact O-N 3.49Å; D97-T101 PolarHBondContact O-OG1 3.41Å; S98-T101 WeakPolarHBondContact O-CB 3.44Å; S98-T101 PolarHBondContact O-N 3.44Å; L99-T101 VanDerWaalsContact C-N 3.29Å; L99-T101 PolarHBondContact O-N 2.87Å; T101-G105 VanDerWaalsContact O-CA 3.24Å; T101-G105 WeakPolarHBondContact O-CA 3.42Å; T101-G105 PolarHBondContact O-N 3.46Å; T101-G105 VanDerWaalsContact O-N 3.14Å; T101-P107 WeakPolarHBondContact OG1-CD 3.47Å; T101-P107 VanDerWaalsContact OG1-CG 3.31Å; T101-P107 WeakPolarHBondContact OG1-CG 3.3Å
102R65.4Low64.2Low174 Ų174107.6 Ų107.666%0.65757%0.567SS**Iπ-helixtrans-79.6-35.7177.9-72.7-169.3-70.3-113.24.9113.9S98 L99 A100S98-R102 WeakPolarHBondContact O-CG 3.48Å; S98-R102 PolarHBondContact O-N 3.13Å; S98-R102 VanDerWaalsContact O-N 3.07Å; L99-R102 VanDerWaalsContact CD2-NH2 3.33Å; L99-R102 CarbonylContact O-C 3.59Å; L99-R102 WeakPolarHBondContact O-CA 3.49Å; L99-R102 PolarHBondContact O-N 3.49Å; A100-R102 VanDerWaalsContact C-N 3.28Å; A100-R102 PolarHBondContact O-N 3.26Å
103F63.7Low62.4Low143 Ų143109.7 Ų109.763%0.62759%0.585SS**Iπ-helixtrans-92.7-29.7-178.1-71.6-65.1000114L99 A100L99-F103 HydrophobicContact CB-CD2 4.3Å; L99-F103 HydrophobicContact CB-CE2 4.46Å; L99-F103 HydrophobicContact CD2-CE2 4.04Å; L99-F103 WeakPolarHBondContact O-CD2 3.34Å; L99-F103 PolarHBondContact O-N 3.11Å; A100-F103 PolarHBondContact O-N 3.16Å
104Y63.2Low60.8Low188 Ų188111 Ų11174%0.73759%0.591SS**Iπ-helixtrans-119.9-3.3-176.3-59.2-65.3000114.7A100A100-Y104 HydrophobicContact CB-CD2 4.17Å; A100-Y104 CarbonylContact O-C 3.54Å; A100-Y104 VanDerWaalsContact O-CA 3.27Å; A100-Y104 WeakPolarHBondContact O-CA 3.4Å; A100-Y104 VanDerWaalsContact O-CB 3.27Å; A100-Y104 WeakPolarHBondContact O-CB 3.47Å; A100-Y104 PolarHBondContact O-N 2.87Å
105G53.5Low59.4Low52 Ų52112 Ų11254%0.53661%0.608SS.*Iπ-helixtrans75.5101164.900000116.1A100 T101A100-G105 PolarHBondContact O-N 3.29Å; T101-G105 VanDerWaalsContact O-CA 3.24Å; T101-G105 WeakPolarHBondContact O-CA 3.42Å; T101-G105 PolarHBondContact O-N 3.46Å; T101-G105 VanDerWaalsContact O-N 3.14Å
106Q48.7Very low58.1Low133 Ų133114.2 Ų114.262%0.62163%0.631SS**  trans62.998.3159.4-72.4-71.6-3800118.6T108Q106-T108 PolarHBondContact O-N 3.16Å; Q106-T108 VanDerWaalsContact OE1-CG2 3.23Å
107P46.6Very low56.6Low97 Ų97117.6 Ų117.663%0.6364%0.636SS**  trans-8673.6162.435.9-33000110.8T101T101-P107 WeakPolarHBondContact OG1-CD 3.47Å; T101-P107 VanDerWaalsContact OG1-CG 3.31Å; T101-P107 WeakPolarHBondContact OG1-CG 3.3Å
108T52.7Low55.6Low98 Ų98122.3 Ų122.360%0.60165%0.652SS**  trans-95.496.8170.151.30000111.4Q106Q106-T108 PolarHBondContact O-N 3.16Å; Q106-T108 VanDerWaalsContact OE1-CG2 3.23Å
109L53.7Low54.8Low170 Ų170127.8 Ų127.889%0.8968%0.676SS**  trans5698.4147.3-67.9154000116.4
110G42.1Very low53.8Low75 Ų75125.7 Ų125.777%0.77367%0.665SS**  trans-59.8147.3-17500000117.3
111Y44Very low53.5Low244 Ų244129.6 Ų129.696%0.95769%0.688SS**  -169.1139.2123.8-122.5-99.1000108.9
112G43.7Very low53.3Low60 Ų60133.2 Ų133.262%0.61970%0.702SS**  trans107.2139.515700000118.3
113P44.7Very low53.2Low118 Ų118130.9 Ų130.977%0.76671%0.709SS**  trans-94.6110.3-16935.3-33.4000114.2
114Y49.4Very low53.5Low187 Ų187125.8 Ų125.873%0.73370%0.697SS**  trans-135.839.8168-68.5-73.9000113.3G116Y114-G116 PolarHBondContact O-N 3.24Å
115L49.5Very low54.4Low182 Ų182120.9 Ų120.995%0.95368%0.677SS**THydrogen-bonded Turntrans-55.3124.7167.8-98.473.9000110
116G51.3Low55.9Low78 Ų78118.4 Ų118.480%0.80465%0.652SS**THydrogen-bonded Turntrans124.8-13.7175.800000115.4Y114 K118Y114-G116 PolarHBondContact O-N 3.24Å; G116-K118 PolarHBondContact O-N 2.64Å
117R52.3Low57.4Low184 Ų184115.9 Ų115.969%0.69464%0.636SS**SBendtrans-89.699.1172.6-54.8-67.9-92.6-76.1-0.8108.7L119R117-L119 PolarHBondContact O-N 3.09Å
118K56.3Low59Low186 Ų186115 Ų11581%0.80962%0.621SS**  trans-42.4111.2172.6-68.2-179.2-178.6-72.30109.6G116 D120G116-K118 PolarHBondContact O-N 2.64Å; K118-D120 PolarHBondContact O-N 3.26Å
119L56.7Low60Low169 Ų169114.3 Ų114.389%0.88562%0.616SS**  trans-56.2123.7177.3-71.2166.1000107.1R117 P121R117-L119 PolarHBondContact O-N 3.09Å; L119-P121 WeakPolarHBondContact O-CD 3.33Å
120D53.8Low60.8Low26 Ų26108.5 Ų108.514%0.13959%0.586CS.*  trans-82125.1177.2-161-1.4000107.5K118 E122 P123 R127 R135K118-D120 PolarHBondContact O-N 3.26Å; D120-E122 PolarHBondContact O-N 3.11Å; D120-P123 WeakPolarHBondContact O-CD 3.08Å; D120-R127 WeakPolarHBondContact OD2-CD 3.19Å; D120-R127 IonicContact OD2-NE 3.1Å; D120-R135 IonicContact OD1-CZ 2.67Å; D120-R135 IonicContact OD1-NH1 3.8Å; D120-R135 PolarHBondContact OD1-NH1 3.47Å; D120-R135 VanDerWaalsContact OD1-NH1 3.07Å; D120-R135 IonicContact OD1-NH2 3.05Å; D120-R135 PolarHBondContact OD1-NH2 3.48Å; D120-R135 IonicContact OD2-CZ 3.55Å; D120-R135 VanDerWaalsContact OD2-CZ 3.3Å; D120-R135 IonicContact OD2-NH1 3.99Å; D120-R135 PolarHBondContact OD2-NH1 3.06Å; D120-R135 IonicContact OD2-NH2 3.22Å; D120-R135 PolarHBondContact OD2-NH2 3.07Å
121P65.9Low62.2Low118 Ų118108 Ų10877%0.76658%0.582SS**SBendtrans-57.4-14.9179.5-28.537000114.6L119L119-P121 WeakPolarHBondContact O-CD 3.33Å
122E61.5Low62.6Low115 Ų115105.4 Ų105.454%0.53758%0.575SS.*SBendtrans-127.183.3176-68.7-76.1143.200109.9D120 G124 R125D120-E122 PolarHBondContact O-N 3.11Å; E122-G124 PolarHBondContact O-N 3.03Å; E122-R125 HydrophobicContact CB-CB 3.88Å; E122-R125 PolarHBondContact O-N 3.29Å; E122-R125 VanDerWaalsContact O-N 3.12Å
123P64.7Low64Low125 Ų125112.9 Ų112.981%0.81259%0.591SS**THydrogen-bonded Turntrans-63109.1175.6-18.532000110D120D120-P123 WeakPolarHBondContact O-CD 3.08Å
124G70.3Confident65.6Low36 Ų36113.6 Ų113.637%0.37158%0.578SS.*THydrogen-bonded Turntrans120.6-12.7-175.500000114.1E122 E139 A140E122-G124 PolarHBondContact O-N 3.03Å; G124-E139 CarbonylContact O-C 3.43Å; G124-E139 WeakPolarHBondContact O-CA 3.33Å; G124-E139 WeakPolarHBondContact O-CG 3.47Å; G124-A140 WeakPolarHBondContact O-CB 3.24Å; G124-A140 PolarHBondContact O-N 3.36Å
125R80.5Confident67Low86 Ų86107.7 Ų107.733%0.32555%0.554SS.*BIsolated β-bridgetrans-88.7140.8178.1-171.6172.7171.8-178.16.1113E122 R127 R135 C136E122-R125 HydrophobicContact CB-CB 3.88Å; E122-R125 PolarHBondContact O-N 3.29Å; E122-R125 VanDerWaalsContact O-N 3.12Å; R125-R127 PolarHBondContact O-N 3.26Å; R125-R127 VanDerWaalsContact O-N 3.15Å; R125-R135 PolarHBondContact NH2-O 3.35Å; R125-C136 WeakPolarHBondContact CG-O 3.47Å; R125-C136 PolarHBondContact NE-O 3.42Å
126C85.8Confident68.7Low0 Ų099.4 Ų99.40%051%0.511CS..  trans-56119.7177.5169.80000112.6R128 C136 K138 C147 H150C126-R128 PolarHBondContact O-N 2.74Å; C126-C136 HydrophobicContact CB-CB 3.81Å; C126-K138 WeakPolarHBondContact CB-O 3.27Å; C126-K138 PolarHBondContact N-O 2.95Å; C126-C147 HydrophobicContact CB-CB 3.81Å; C126-C147 PolarHBondContact SG-N 3.38Å; C126-C147 VanDerWaalsContact SG-SG 3.64Å; C126-H150 PolarHBondContact SG-ND1 2.99Å; C126-H150 VanDerWaalsContact SG-ND1 3.39Å
127R80.2Confident70.2Confident80 Ų80100.6 Ų100.630%0.30251%0.507SS..  trans-71.10-173.3-148103.571.6125.9-12.5115.6D120 R125 T129 K145 Y146D120-R127 WeakPolarHBondContact OD2-CD 3.19Å; D120-R127 IonicContact OD2-NE 3.1Å; R125-R127 PolarHBondContact O-N 3.26Å; R125-R127 VanDerWaalsContact O-N 3.15Å; R127-T129 PolarHBondContact O-N 3.2Å; R127-T129 VanDerWaalsContact O-N 3.14Å; R127-K145 HydrophobicContact CB-CD 4.24Å; R127-K145 HydrophobicContact CB-CG 3.53Å; R127-K145 WeakPolarHBondContact CB-O 3.27Å; R127-K145 HydrophobicContact CG-CD 4.48Å; R127-K145 VanDerWaalsContact CG-CE 3.5Å; R127-K145 HydrophobicContact CG-CG 4.2Å; R127-K145 PolarHBondContact N-O 2.75Å; R127-Y146 HydrophobicContact CB-CE1 4.38Å
128R80.4Confident71.8Confident78 Ų7896.6 Ų96.629%0.29450%0.495SS..  trans-79.4101.5-180-168.7179.6-112.2-94.72.9108.6C126 D130 C136 Y146 H150C126-R128 PolarHBondContact O-N 2.74Å; R128-D130 PolarHBondContact O-N 3.39Å; R128-C136 PolarHBondContact O-N 2.9Å; R128-C136 VanDerWaalsContact O-N 3.11Å; R128-Y146 HydrophobicContact CB-CD1 3.87Å; R128-Y146 HydrophobicContact CB-CE1 4.04Å; R128-H150 HydrophobicContact CB-CB 4.31Å; R128-H150 VanDerWaalsContact CD-CG 3.47Å
129T72.7Confident73Confident83 Ų8395.1 Ų95.151%0.50949%0.491SS..EExtended strand (participates in β ladder)trans-63.9121.9159.4-21.10000107.6R127 W134 R135R127-T129 PolarHBondContact O-N 3.2Å; R127-T129 VanDerWaalsContact O-N 3.14Å; T129-W134 WeakPolarHBondContact CA-O 3.33Å; T129-W134 VanDerWaalsContact CG2-O 3.24Å; T129-W134 WeakPolarHBondContact CG2-O 3.36Å; T129-R135 HydrophobicContact CG2-CG 4.32Å
130D71.2Confident74.3Confident48 Ų4888.2 Ų88.226%0.25746%0.458SS..EExtended strand (participates in β ladder)trans-98.9133.4170.3-157.583.7000105.7R128 K132 W134 R153R128-D130 PolarHBondContact O-N 3.39Å; D130-K132 PolarHBondContact O-N 2.81Å; D130-W134 HydrophobicContact CB-CD2 4.19Å; D130-W134 HydrophobicContact CB-CE3 4.36Å; D130-W134 HydrophobicContact CB-CH2 3.62Å; D130-W134 HydrophobicContact CB-CZ2 3.41Å; D130-W134 VanDerWaalsContact CB-CZ2 3.41Å; D130-W134 HydrophobicContact CB-CZ3 4.09Å; D130-W134 PolarHBondContact N-O 3.16Å; D130-W134 VanDerWaalsContact N-O 3.15Å; D130-W134 WeakPolarHBondContact OD2-CZ2 3.47Å; D130-R153 IonicContact OD1-CZ 3.08Å; D130-R153 IonicContact OD1-NH1 3.3Å; D130-R153 PolarHBondContact OD1-NH1 2.73Å
131G70.5Confident75.5Confident66 Ų6688.1 Ų88.168%0.6846%0.462SS*.THydrogen-bonded Turntrans-44127.2-149.400000116.6
132K53.3Low76.2Confident189 Ų18989.6 Ų89.682%0.82247%0.471SS*.THydrogen-bonded Turntrans75.3104.7179.6-53.3178.8-178.5-179.80114.6D130 W134D130-K132 PolarHBondContact O-N 2.81Å; K132-W134 PolarHBondContact O-N 3.14Å
133K73.5Confident76.9Confident217 Ų21790.8 Ų90.894%0.94348%0.481SS*.THydrogen-bonded Turntrans56.1-2.116563.4176.8174.51790120.1
134W78.8Confident77.7Confident133 Ų13385.9 Ų85.950%0.50445%0.449SS..EExtended strand (participates in β ladder)trans-114.7141.7171.375.6-86.1000114T129 D130 K132T129-W134 WeakPolarHBondContact CA-O 3.33Å; T129-W134 VanDerWaalsContact CG2-O 3.24Å; T129-W134 WeakPolarHBondContact CG2-O 3.36Å; D130-W134 HydrophobicContact CB-CD2 4.19Å; D130-W134 HydrophobicContact CB-CE3 4.36Å; D130-W134 HydrophobicContact CB-CH2 3.62Å; D130-W134 HydrophobicContact CB-CZ2 3.41Å; D130-W134 VanDerWaalsContact CB-CZ2 3.41Å; D130-W134 HydrophobicContact CB-CZ3 4.09Å; D130-W134 PolarHBondContact N-O 3.16Å; D130-W134 VanDerWaalsContact N-O 3.15Å; D130-W134 WeakPolarHBondContact OD2-CZ2 3.47Å; K132-W134 PolarHBondContact O-N 3.14Å
135R78.5Confident78.3Confident63 Ų6389.4 Ų89.424%0.23846%0.455CS..EExtended strand (participates in β ladder)trans-105.7147.9174.2-64.6171.5123.5-117.911109.2D120 R125 T129 S137D120-R135 IonicContact OD1-CZ 2.67Å; D120-R135 IonicContact OD1-NH1 3.8Å; D120-R135 PolarHBondContact OD1-NH1 3.47Å; D120-R135 VanDerWaalsContact OD1-NH1 3.07Å; D120-R135 IonicContact OD1-NH2 3.05Å; D120-R135 PolarHBondContact OD1-NH2 3.48Å; D120-R135 IonicContact OD2-CZ 3.55Å; D120-R135 VanDerWaalsContact OD2-CZ 3.3Å; D120-R135 IonicContact OD2-NH1 3.99Å; D120-R135 PolarHBondContact OD2-NH1 3.06Å; D120-R135 IonicContact OD2-NH2 3.22Å; D120-R135 PolarHBondContact OD2-NH2 3.07Å; R125-R135 PolarHBondContact NH2-O 3.35Å; T129-R135 HydrophobicContact CG2-CG 4.32Å; R135-S137 PolarHBondContact O-N 3.21Å
136C84.9Confident78.4Confident7 Ų789.1 Ų89.15%0.04745%0.454CS..  trans-53.8131.9174.4-172.10000111.3R125 C126 R128 K138 C147 H150R125-C136 WeakPolarHBondContact CG-O 3.47Å; R125-C136 PolarHBondContact NE-O 3.42Å; C126-C136 HydrophobicContact CB-CB 3.81Å; R128-C136 PolarHBondContact O-N 2.9Å; R128-C136 VanDerWaalsContact O-N 3.11Å; C136-K138 VanDerWaalsContact C-N 3.34Å; C136-C147 VanDerWaalsContact SG-SG 3.66Å; C136-H150 PolarHBondContact SG-CE1 2.84Å; C136-H150 PolarHBondContact SG-ND1 3.3Å
137S83.5Confident78.4Confident103 Ų10389.3 Ų89.372%0.7246%0.456SS*.  trans-76.8-17-178.450.90000114.1R135R135-S137 PolarHBondContact O-N 3.21Å
138K84.1Confident78.6Confident101 Ų10192.5 Ų92.544%0.43947%0.474SS..SBendtrans-71.8147.9179.2-76.2-176.2165.3-73.30111.7C126 C136 C147C126-K138 WeakPolarHBondContact CB-O 3.27Å; C126-K138 PolarHBondContact N-O 2.95Å; C136-K138 VanDerWaalsContact C-N 3.34Å; K138-C147 HydrophobicContact CB-CB 3.56Å; K138-C147 HydrophobicContact CD-CB 4.45Å
139E81.9Confident78.7Confident154 Ų15496.8 Ų96.872%0.7249%0.49SS*.BIsolated β-bridgetrans-58.8146.2172.8-151.2174.8174.600111.6G124 C147G124-E139 CarbonylContact O-C 3.43Å; G124-E139 WeakPolarHBondContact O-CA 3.33Å; G124-E139 WeakPolarHBondContact O-CG 3.47Å; E139-C147 WeakPolarHBondContact O-CA 3.42Å; E139-C147 WeakPolarHBondContact O-CB 3.49Å
140A84.8Confident79.4Confident24 Ų2493.3 Ų93.320%0.19847%0.468CS..PPolyproline II helixtrans-65.9141166.400000108.7G124 S144G124-A140 WeakPolarHBondContact O-CB 3.24Å; G124-A140 PolarHBondContact O-N 3.36Å; A140-S144 WeakPolarHBondContact CB-O 3.24Å
141A79.4Confident80Confident25 Ų2594.7 Ų94.721%0.20747%0.474CS..BIsolated β-bridgetrans-62.9150.2170.800000109.5D143 S144 Y146A141-D143 PolarHBondContact O-N 3.47Å; A141-S144 PolarHBondContact N-O 2.83Å; A141-S144 PolarHBondContact O-N 3.24Å; A141-Y146 PolarHBondContact N-O 2.87Å; A141-Y146 VanDerWaalsContact N-O 3.1Å
142P79.4Confident80.3Confident149 Ų14996.2 Ų96.297%0.96846%0.463SS*.THydrogen-bonded Turntrans-58.8-21.5-17122.5-34.6000114.2
143D76.8Confident80.9Confident140 Ų14091.5 Ų91.575%0.74944%0.44SS*.THydrogen-bonded Turntrans-109.3-7.5177.665.9-23.1000114A141A141-D143 PolarHBondContact O-N 3.47Å
144S81.2Confident80.4Confident21 Ų2184.8 Ų84.815%0.14743%0.433CS..BIsolated β-bridgetrans-131.8134.3-165.9138.90000113.7A140 A141 Y146A140-S144 WeakPolarHBondContact CB-O 3.24Å; A141-S144 PolarHBondContact N-O 2.83Å; A141-S144 PolarHBondContact O-N 3.24Å; S144-Y146 PolarHBondContact O-N 3.45Å; S144-Y146 PolarHBondContact OG-N 3.08Å; S144-Y146 VanDerWaalsContact OG-N 3.12Å; S144-Y146 PolarHBondContact OG-O 2.87Å
145K82Confident79.7Confident111 Ų11188.8 Ų88.848%0.48345%0.448SS..SBendtrans-55.2-12.1174.5179173.5175.5-175.90114.7R127R127-K145 HydrophobicContact CB-CD 4.24Å; R127-K145 HydrophobicContact CB-CG 3.53Å; R127-K145 WeakPolarHBondContact CB-O 3.27Å; R127-K145 HydrophobicContact CG-CD 4.48Å; R127-K145 VanDerWaalsContact CG-CE 3.5Å; R127-K145 HydrophobicContact CG-CG 4.2Å; R127-K145 PolarHBondContact N-O 2.75Å
146Y83.8Confident78.5Confident80 Ų8092.3 Ų92.331%0.31447%0.471SS..SBendtrans-124.7151.6-176.2-55.4-66.4000111.3R127 R128 A141 S144 H150R127-Y146 HydrophobicContact CB-CE1 4.38Å; R128-Y146 HydrophobicContact CB-CD1 3.87Å; R128-Y146 HydrophobicContact CB-CE1 4.04Å; A141-Y146 PolarHBondContact N-O 2.87Å; A141-Y146 VanDerWaalsContact N-O 3.1Å; S144-Y146 PolarHBondContact O-N 3.45Å; S144-Y146 PolarHBondContact OG-N 3.08Å; S144-Y146 VanDerWaalsContact OG-N 3.12Å; S144-Y146 PolarHBondContact OG-O 2.87Å; Y146-H150 HydrophobicContact CD1-CB 4.49Å; Y146-H150 HydrophobicContact CG-CB 4.46Å
147C86.4Confident77.1Confident4 Ų4100.9 Ų100.93%0.02750%0.503CS..  trans-63.4155.7163.765.70000109.3C126 C136 K138 E139 R149 H150 M151C126-C147 HydrophobicContact CB-CB 3.81Å; C126-C147 PolarHBondContact SG-N 3.38Å; C126-C147 VanDerWaalsContact SG-SG 3.64Å; C136-C147 VanDerWaalsContact SG-SG 3.66Å; K138-C147 HydrophobicContact CB-CB 3.56Å; K138-C147 HydrophobicContact CD-CB 4.45Å; E139-C147 WeakPolarHBondContact O-CA 3.42Å; E139-C147 WeakPolarHBondContact O-CB 3.49Å; C147-R149 VanDerWaalsContact C-N 3.28Å; C147-R149 PolarHBondContact O-N 3.29Å; C147-R149 VanDerWaalsContact O-N 3.13Å; C147-H150 CarbonylContact O-C 3.46Å; C147-H150 WeakPolarHBondContact O-CA 2.95Å; C147-H150 PolarHBondContact O-N 3.11Å; C147-M151 PolarHBondContact O-N 2.85Å
148E83.5Confident76.1Confident147 Ų147101.5 Ų101.569%0.68751%0.507SS*.Hα-helixtrans-41.3-50.6177.4-176-173.6-159.300113.6H150 M151 H152E148-H150 PolarHBondContact O-N 2.65Å; E148-H150 VanDerWaalsContact O-N 3.1Å; E148-M151 PolarHBondContact O-N 2.82Å; E148-H152 PolarHBondContact O-CD2 2.93Å
149R83Confident75.1Confident168 Ų168108 Ų10863%0.63453%0.529SS*.Hα-helixtrans-55.4-28.9176.3-175.4-175-68.7177.3-3.9113.9C147C147-R149 VanDerWaalsContact C-N 3.28Å; C147-R149 PolarHBondContact O-N 3.29Å; C147-R149 VanDerWaalsContact O-N 3.13Å
150H87Confident74.1Confident10 Ų10109 Ų1095%0.04653%0.531CS..Hα-helixtrans-105.5-20.1-177.2-73.2165.4000114.1C126 R128 C136 Y146 C147 E148 H152 R153C126-H150 PolarHBondContact SG-ND1 2.99Å; C126-H150 VanDerWaalsContact SG-ND1 3.39Å; R128-H150 HydrophobicContact CB-CB 4.31Å; R128-H150 VanDerWaalsContact CD-CG 3.47Å; C136-H150 PolarHBondContact SG-CE1 2.84Å; C136-H150 PolarHBondContact SG-ND1 3.3Å; Y146-H150 HydrophobicContact CD1-CB 4.49Å; Y146-H150 HydrophobicContact CG-CB 4.46Å; C147-H150 CarbonylContact O-C 3.46Å; C147-H150 WeakPolarHBondContact O-CA 2.95Å; C147-H150 PolarHBondContact O-N 3.11Å; E148-H150 PolarHBondContact O-N 2.65Å; E148-H150 VanDerWaalsContact O-N 3.1Å; H150-H152 VanDerWaalsContact C-N 3.32Å; H150-R153 PolarHBondContact O-N 3.26Å
151M84Confident72.7Confident76 Ų76114.5 Ų114.537%0.37456%0.564SS.*Hα-helixtrans-60.1-42.6172.2-166.5174.978.900110.8C147 E148C147-M151 PolarHBondContact O-N 2.85Å; E148-M151 PolarHBondContact O-N 2.82Å
152H75.7Confident71.8Confident99 Ų99118.3 Ų118.346%0.45859%0.585SS.*THydrogen-bonded Turntrans-88.5-0.9-177.3-60.5-59.6000116E148 H150 G154 R155E148-H152 PolarHBondContact O-CD2 2.93Å; H150-H152 VanDerWaalsContact C-N 3.32Å; H152-G154 PolarHBondContact O-N 3.48Å; H152-R155 PolarHBondContact O-N 2.81Å; H152-R155 VanDerWaalsContact O-N 3.08Å
153R66.7Low70.4Confident89 Ų89119.2 Ų119.234%0.33658%0.576SS.*THydrogen-bonded Turntrans-63.3-6.1-175.5-99.3-168.7179.9-174.54.4115D130 H150D130-R153 IonicContact OD1-CZ 3.08Å; D130-R153 IonicContact OD1-NH1 3.3Å; D130-R153 PolarHBondContact OD1-NH1 2.73Å; H150-R153 PolarHBondContact O-N 3.26Å
154G63.4Low69.1Low77 Ų77118.8 Ų118.879%0.79458%0.579SS**THydrogen-bonded Turntrans-95.5-19.2174.200000116H152H152-G154 PolarHBondContact O-N 3.48Å
155R63.2Low67.4Low216 Ų216126.1 Ų126.182%0.81561%0.611SS**THydrogen-bonded Turntrans-99.3-28.5-164.4-167173.2172-176.3-5115.6H152H152-R155 PolarHBondContact O-N 2.81Å; H152-R155 VanDerWaalsContact O-N 3.08Å
156N54.6Low66.1Low137 Ų137128.8 Ų128.873%0.73363%0.63SS**  trans-121.230.7-167.5-72.959000114.9S158N156-S158 PolarHBondContact O-N 3.02Å; N156-S158 VanDerWaalsContact O-N 3.08Å
157R55.5Low64.5Low187 Ų187128.9 Ų128.971%0.70665%0.647SS**  trans-83.164.3164-66.2-174.1-170.2-91.53.7110.4R159R157-R159 PolarHBondContact O-N 3.4Å; R157-R159 VanDerWaalsContact O-N 3.13Å
158S61.6Low62.5Low117 Ų117134.6 Ų134.682%0.81868%0.684SS**PPolyproline II helixtrans-56.8119.8160.1-170.80000106.9N156N156-S158 PolarHBondContact O-N 3.02Å; N156-S158 VanDerWaalsContact O-N 3.08Å
159R64.5Low61Low236 Ų236136.7 Ų136.789%0.89169%0.693SS**PPolyproline II helixtrans-68.5147.5-179.3-70.7178.5175.7-123.83.4108.2R157R157-R159 PolarHBondContact O-N 3.4Å; R157-R159 VanDerWaalsContact O-N 3.13Å
160K60.8Low59.2Low177 Ų177133.7 Ų133.777%0.7770%0.698SS**PPolyproline II helixtrans-48.3147.2-169.6-59.1172.3178.5-178.60112.1V162K160-V162 PolarHBondContact O-N 3.39Å; K160-V162 VanDerWaalsContact O-N 3.16Å
161P54.1Low57.5Low138 Ų138142.6 Ų142.690%0.89674%0.74SS**PPolyproline II helixtrans-60.2117.3154.5-6.121.7000107.4
162V60.4Low56Low106 Ų106144.5 Ų144.564%0.64276%0.758SS**  trans-149.6119170.462.60000108.7K160K160-V162 PolarHBondContact O-N 3.39Å; K160-V162 VanDerWaalsContact O-N 3.16Å
163E49.6Very low54.5Low167 Ų167146 Ų14678%0.7878%0.777SS**  trans36102.1158.9-62.5168.6127.800118.6
164T50.7Low53.5Low131 Ų131146.4 Ų146.480%0.80480%0.799SS**  -135.3106.7127.7-54.90000108.2L166T164-L166 PolarHBondContact O-N 2.94Å
165Q44.6Very low52.7Low176 Ų176147.3 Ų147.382%0.82280%0.799SS**  trans-70.7117.2167.4-64-126.234.900108
166L55.1Low51.9Low167 Ų167142.1 Ų142.187%0.87480%0.802SS**  trans-85.5107.5160-80170000107.4T164T164-L166 PolarHBondContact O-N 2.94Å
167A51.2Low51.5Low81 Ų81139.2 Ų139.267%0.66980%0.797SS**  trans-62.8142.8-17600000111.9Q169A167-Q169 PolarHBondContact O-N 3.49Å
168P44Very low51.4Low125 Ų125137 Ų13781%0.81280%0.804SS**  trans-77.7120.5-18030.6-33.4000111.4S170P168-S170 PolarHBondContact O-N 3.18Å
169Q52.3Low50.7Low190 Ų190136.5 Ų136.589%0.88880%0.801SS**  trans-89.389.6169.8-73-169.6-11.100111.4A167A167-Q169 PolarHBondContact O-N 3.49Å
170S43.9Very low49.9Very low105 Ų105129.8 Ų129.873%0.73480%0.796SS**  trans26.1113.8135.157.30000120.2P168P168-S170 PolarHBondContact O-N 3.18Å
171Q52.8Low49.3Very low197 Ų197126 Ų12692%0.92180%0.798SS**  trans-155.2158134.8-108171.81.700110.1
172P50.9Low49.7Very low117 Ų117125.1 Ų125.176%0.7679%0.792SS**  trans-97.7168.7-141.737.3-40.1000117.1
173P44.9Very low49.6Very low130 Ų130125.4 Ų125.484%0.84480%0.796SS**  trans-101.8145.8-179.138.1-32.6000115.2
174A45.2Very low49.6Very low98 Ų98125.6 Ų125.681%0.8180%0.801SS**  trans-160.9111.7154.300000106.9
175A46.4Very low49.4Very low95 Ų95124 Ų12479%0.78580%0.801SS**  92.711273.800000112.8
176A47.8Very low49.5Very low107 Ų107119.9 Ų119.988%0.88480%0.798SS**  trans60.8164.7166.100000117.4
177A45.6Very low49Very low77 Ų77116.8 Ų116.864%0.63680%0.796SS**  cis-172156.2-37.100000106.3
178V52.8Low48.7Very low140 Ų140117.4 Ų117.485%0.84880%0.801SS**  trans57164.8168.9-56.10000116.5
179S48.1Very low48.5Very low106 Ų106116.2 Ų116.274%0.74180%0.802SS**  cis-161.8162.1-37.1-91.50000108
180A46Very low48Very low96 Ų96112 Ų11279%0.79380%0.799SS**  trans71112.9156.100000121.8
181A49.5Very low47.7Very low97 Ų97113.9 Ų113.980%0.80281%0.807SS**  66.6126.2129.300000123.1
182P61.2Low47.2Very low119 Ų119110.2 Ų110.277%0.77380%0.798SS**  trans-100.1168.3157.339.3-32000112.1
183P59.7Low46.7Very low112 Ų112112.3 Ų112.373%0.72780%0.803SS**  -155.7150.2121.834.5-14.8000119.3
184L49.1Very low46.7Very low171 Ų171110 Ų11090%0.89580%0.802SS**  trans72.4148.5133.8-69.1168.9000125
185A46.1Very low46.6Very low97 Ų97110.4 Ų110.480%0.80280%0.799SS**  trans76.6140.8157.700000119.5
186A46.2Very low46.5Very low91 Ų91109.5 Ų109.575%0.75280%0.799SS**  cis-167.7153.6-19.900000110.2
187A45.3Very low46.3Very low102 Ų102112.7 Ų112.784%0.84379%0.793SS**  trans49.5143.6147.800000121.5
188A44.5Very low46.5Very low94 Ų94116.5 Ų116.578%0.77780%0.798SS**  cis-166.2168.7-8.900000111.1
189A40.2Very low46Very low100 Ų100117.1 Ų117.183%0.82680%0.796SS**  trans65.593.2152.400000120.6
190A40.7Very low45.9Very low100 Ų100120.3 Ų120.383%0.82680%0.799SS**  -164.7104.5124.600000109.7
191T38.1Very low45.6Very low146 Ų146121 Ų12190%0.89680%0.798SS**  trans-85.1114.1-174-57.10000111.9
192T43.6Very low45.3Very low120 Ų120124.8 Ų124.874%0.73680%0.804SS**  trans-142.6119.4165.5-55.50000110.8
193N38.9Very low44.5Very low161 Ų161129.5 Ų129.586%0.86181%0.808SS**  trans38.398.5158.6-58.6-11.8000119.4
194G45Very low44.2Very low80 Ų80129.4 Ų129.483%0.82581%0.808SS**  trans-117.8129.8159.100000110.8
195S44.2Very low43.7Very low108 Ų108126.1 Ų126.176%0.75581%0.805SS**  trans-70.4135.8-169.852.30000115.2
196G43.8Very low43.8Very low75 Ų75129.9 Ų129.977%0.77381%0.81SS**  trans-120.6130161.600000110.8
197F43Very low43.6Very low175 Ų175130.6 Ų130.677%0.76882%0.815SS**  trans-83.8130.4-167.7-37.8-90.5000113.2
198Q50.9Low43.5Very low157 Ų157129.4 Ų129.473%0.73481%0.813SS**  trans-158.593.3156.1-65.8-54.9-25.900112H200Q198-H200 PolarHBondContact O-ND1 3.35Å; Q198-H200 VanDerWaalsContact O-ND1 3.12Å
199N41.5Very low43.5Very low153 Ų153129.9 Ų129.982%0.81881%0.811SS**  trans60.5-167.3175.2-59.1-81000112.7
200H46.1Very low43.7Very low173 Ų173131.5 Ų131.580%0.80181%0.811SS**  cis-150.9175.26.721.6-77.4000112Q198Q198-H200 PolarHBondContact O-ND1 3.35Å; Q198-H200 VanDerWaalsContact O-ND1 3.12Å
201S40.4Very low43.8Very low111 Ų111130.9 Ų130.978%0.77681%0.814SS**  trans-61.5149.8-174-51.60000115.9
202L43.7Very low44Very low176 Ų176127.8 Ų127.892%0.92181%0.811SS**  -175.8162.7119.4-96.2162.2000113.2
203Y43.2Very low43.9Very low217 Ų217126.2 Ų126.285%0.85182%0.819SS**PPolyproline II helixtrans-67.8156.4-175.4-115.3-107.3000114.4
204P53Low44Very low111 Ų111122.5 Ų122.572%0.72182%0.819SS**PPolyproline II helixtrans-85.5141.6159.234.7-30.9000111.6
205A39.6Very low43.9Very low102 Ų102121.9 Ų121.984%0.84381%0.812SS**PPolyproline II helixtrans-101.2152.6170.500000111.1
206I48.9Very low44Very low176 Ų176124.2 Ų124.290%0.90382%0.821SS**  trans-136.9148.7169.1-15.8177000109.1
207A41.1Very low43.9Very low105 Ų105124.5 Ų124.587%0.86883%0.825SS**  trans-104.9168.1-158.600000115.8
208G43.8Very low43.8Very low78 Ų78120.2 Ų120.280%0.80483%0.83SS**  trans115.4142173.300000112.9
209S44.9Very low43.5Very low104 Ų104119.1 Ų119.173%0.72784%0.84SS**  cis-160.9144.1-6.9-175.10000110.7
210T43.3Very low43.7Very low134 Ų134115.6 Ų115.682%0.82284%0.839SS**  trans47.3120.4150.149.10000122.7
211G43.1Very low43.6Very low87 Ų87114.8 Ų114.890%0.89784%0.841SS**  trans107.1133.4152.800000115.3
212G42.1Very low43.9Very low80 Ų80116.7 Ų116.783%0.82584%0.841SS**  cis175.1140.2-800000111.8
213G42.4Very low43.9Very low88 Ų88113.6 Ų113.691%0.90783%0.834SS**  trans76.9148.5178.300000115.6
214G41.3Very low43.9Very low83 Ų83108.7 Ų108.786%0.85683%0.831SS**  cis153.7116.4-7.100000112.8
215G41.8Very low43.8Very low67 Ų67108.6 Ų108.669%0.69183%0.83SS**  trans97.8112.1174.800000114
216V46Very low43.9Very low156 Ų156112.2 Ų112.295%0.94583%0.828SS**  51.7126.874.4-42.40000113.6
217G43Very low43.5Very low82 Ų82108 Ų10885%0.84581%0.814SS**  cis174.5176.5-4.500000109.8
218G40.9Very low43.6Very low85 Ų85108.4 Ų108.488%0.87681%0.81SS**  trans128.799.2168.300000115.8
219S43.8Very low43.2Very low134 Ų134110.4 Ų110.494%0.93781%0.812SS**  trans-83.1143.5169.5-54.40000111.3
220G44.9Very low43.3Very low78 Ų78114.8 Ų114.880%0.80482%0.823SS**  trans-160.899.8174.300000111.3
221N44Very low43.1Very low156 Ų156112.5 Ų112.583%0.83483%0.826SS**  trans-92170.5-173.7-118.80.5000112.3
222I47Very low42.9Very low151 Ų151112 Ų11277%0.77482%0.821SS**  trans61.6112.715960.7163.5000120.1
223S45Very low42.9Very low112 Ų112114.1 Ų114.178%0.78382%0.823SS**  158.9115.2105-670000112.9
224S41.6Very low43Very low113 Ų113115.6 Ų115.679%0.7982%0.82SS**  trans-83.1165.4154.4-32.20000108.6
225P52Low42.8Very low109 Ų109120.1 Ų120.171%0.70882%0.818SS**  -149.8178.95931.7-6.6000117.4
226F41.8Very low43.1Very low179 Ų179124.6 Ų124.679%0.78583%0.826SS**  trans42.2124.7153.992.7-56.2000120.5
227S40.5Very low42.7Very low88 Ų88123.4 Ų123.462%0.61581%0.81SS**  -165.9145.872-68.60000115.5
228S42.4Very low43.2Very low113 Ų113127.9 Ų127.979%0.7981%0.811SS**  trans62.782140.9-53.70000122.4
229S36.3Very low43.4Very low119 Ų119130.1 Ų130.183%0.83280%0.803SS**  30.4110.5121.9174.90000120.7
230M47.5Very low43.1Very low196 Ų196129.6 Ų129.697%0.96680%0.799SS**  -144.3146.1128.7-86.5-150.8170.400110.7
231G38.1Very low43Very low86 Ų86130 Ų13089%0.88780%0.795SS**  trans-77.4-178.9-162.800000118.1
232G37.9Very low42.9Very low76 Ų76126.7 Ų126.778%0.78479%0.789SS**  trans14390172.600000112.7
233S43.8Very low42.7Very low126 Ų126124.3 Ų124.388%0.88179%0.786SS**  trans-62.9136176-63.40000111.8Q235S233-Q235 PolarHBondContact O-N 3.4Å; S233-Q235 VanDerWaalsContact O-N 3.17Å
234S42.9Very low42.4Very low119 Ų119129.4 Ų129.483%0.83279%0.789SS**  trans-59.9113.7179.4-47.40000112.4
235Q37.2Very low42.5Very low177 Ų177129.8 Ų129.883%0.82779%0.792SS**  trans-83118.5164.2-171.7-167.442.400108.3S233 H237S233-Q235 PolarHBondContact O-N 3.4Å; S233-Q235 VanDerWaalsContact O-N 3.17Å; Q235-H237 PolarHBondContact O-N 2.76Å
236L47.9Very low41.9Very low162 Ų162135.5 Ų135.585%0.84880%0.801SS**  trans-82.8107170.8-74.8174.7000109.7
237H38.1Very low41.8Very low130 Ų130130.5 Ų130.560%0.60279%0.793SS**  trans-72.4133.4170.4-167.9-118.4000110Q235 D239Q235-H237 PolarHBondContact O-N 2.76Å; H237-D239 IonicContact CE1-OD1 2.97Å; H237-D239 PolarHBondContact CE1-OD1 2.86Å; H237-D239 IonicContact CE1-OD2 2.79Å; H237-D239 PolarHBondContact CE1-OD2 3.3Å; H237-D239 IonicContact ND1-OD1 3.77Å; H237-D239 IonicContact ND1-OD2 3.07Å; H237-D239 PolarHBondContact ND1-OD2 2.86Å; H237-D239 IonicContact NE2-OD1 3.96Å
238M53Low41.7Very low176 Ų176131.1 Ų131.187%0.86780%0.803SS**  trans-134.6112.5166.6-81.7-71.7161.500107.7
239D45.2Very low41.6Very low133 Ų133134.4 Ų134.471%0.71181%0.811SS**  trans-65.9142.9-172.7-76.2-86.4000113.6H237H237-D239 IonicContact CE1-OD1 2.97Å; H237-D239 PolarHBondContact CE1-OD1 2.86Å; H237-D239 IonicContact CE1-OD2 2.79Å; H237-D239 PolarHBondContact CE1-OD2 3.3Å; H237-D239 IonicContact ND1-OD1 3.77Å; H237-D239 IonicContact ND1-OD2 3.07Å; H237-D239 PolarHBondContact ND1-OD2 2.86Å; H237-D239 IonicContact NE2-OD1 3.96Å
240S38.3Very low41.6Very low123 Ų123132.5 Ų132.586%0.8681%0.81SS**  trans-100.9111.4176.7-176.60000110.4
241A43.7Very low41Very low86 Ų86127.4 Ų127.471%0.71181%0.808SS**  trans-150.972.5173.500000111.8S243A241-S243 PolarHBondContact O-N 2.67Å; A241-S243 VanDerWaalsContact O-N 3.16Å
242A40.2Very low41Very low86 Ų86126.7 Ų126.771%0.71180%0.8SS**  trans-82.580.2168.500000110.3Y244A242-Y244 PolarHBondContact O-N 2.69Å
243S43.1Very low40.9Very low101 Ų101130 Ų13071%0.70681%0.806SS**  trans-78.8117.6175.9-67.50000111.8A241 S245A241-S243 PolarHBondContact O-N 2.67Å; A241-S243 VanDerWaalsContact O-N 3.16Å; S243-S245 PolarHBondContact O-N 3.05Å
244Y39.9Very low40.9Very low220 Ų220128.9 Ų128.986%0.86380%0.804SS**  trans-58.2124.8171.5-16.1-92.8000111A242A242-Y244 PolarHBondContact O-N 2.69Å
245S42.4Very low41.1Very low121 Ų121132.8 Ų132.885%0.84681%0.806SS**  trans-145.8125.2169.7-77.30000110.7S243S243-S245 PolarHBondContact O-N 3.05Å
246Y39.1Very low41.5Very low228 Ų228131.5 Ų131.589%0.89481%0.805SS**  trans-97.9137.7-178164.9-92.6000111
247A39.6Very low41.5Very low75 Ų75131.4 Ų131.462%0.6280%0.804SS**  trans42.4117.3161.200000120.6
248A39.2Very low41.5Very low101 Ų101137 Ų13784%0.83582%0.82SS**  trans-151.8143.3136.600000110.1
249L39.4Very low40.9Very low182 Ų182138.4 Ų138.495%0.95382%0.817SS**  trans-82.8150.8179.3-58.287.5000110.9
250G36.7Very low40.8Very low79 Ų79137.2 Ų137.281%0.81481%0.811SS**  trans164.18216100000119.7
251G35.4Very low40.8Very low89 Ų89135.5 Ų135.592%0.91880%0.804SS**  trans73.5163.2143.400000120
252G37.1Very low40.9Very low70 Ų70142.3 Ų142.372%0.72281%0.813SS**  trans123.937.6158.300000120.2
253T37.7Very low41Very low146 Ų146141.8 Ų141.890%0.89682%0.816SS**  trans37.2100.7148.259.70000120.1
254A43.8Very low41.2Very low103 Ų103145.3 Ų145.385%0.85183%0.825SS**  trans-145.4134.4145.500000109.5
255K45.4Very low41.6Very low201 Ų201142.3 Ų142.387%0.87481%0.812SS**  trans-93.1125.3-177.7-56.4162.9-175.6171.40107.9
256D45.3Very low41.6Very low149 Ų149140.5 Ų140.580%0.79780%0.8SS**  177.4157.3119.9-108.1-45000114.9
257L48.4Very low42.4Very low160 Ų160137.3 Ų137.384%0.83880%0.797SS**  trans59.6106.3170.1-80.976000119.7
258R39.3Very low42.9Very low248 Ų248137 Ų13794%0.93680%0.795SS**  trans-78.2132.8155.1-59.6177.2-177173.40.3110.6
259Y39.1Very low43.4Very low206 Ų206136.3 Ų136.381%0.80878%0.777SS**  trans-163.4133140.4-150.2-115.5000111.3
260N43.2Very low43.9Very low108 Ų108133 Ų13358%0.57876%0.757SS**  trans41.9109.8168.5-61.15.1000117.8
261A38.8Very low44.5Very low86 Ų86135.3 Ų135.371%0.71175%0.746SS**  cis51.586.34600000113.8
262Y46.2Very low45.3Very low230 Ų230136.6 Ų136.690%0.90273%0.732SS**  -161146.1126.9-85.7-63.2000108.5
263G41.4Very low46.2Very low75 Ų75137.7 Ų137.777%0.77372%0.718SS**  trans-76147.4-162.600000115.5R265G263-R265 PolarHBondContact O-N 3.22Å
264I48.5Very low46.9Very low175 Ų175136.1 Ų136.190%0.89770%0.704SS**  trans-81.8107174.1-43.1178.5000108.2
265R47.5Very low47.5Very low156 Ų156135.3 Ų135.359%0.58968%0.684SS**  trans-78.7152.7167.8-77.2-179.766.1-149.51.3110.2G263 D269G263-R265 PolarHBondContact O-N 3.22Å; R265-D269 IonicContact NH2-OD2 3.92Å
266S43.3Very low47.9Very low84 Ų84128.5 Ų128.559%0.58767%0.665SS**  trans-67.8136.5-175.9-169.30000112.1A268 D269S266-A268 PolarHBondContact O-N 3.1Å; S266-D269 PolarHBondContact O-N 3.48Å
267L54.4Low48.1Very low160 Ų160127.9 Ų127.984%0.83866%0.658SS**THydrogen-bonded Turntrans-68-4.8-171.2-171.8134000114.6
268A51.1Low48.3Very low70 Ų70122.2 Ų122.258%0.57963%0.634SS**THydrogen-bonded Turntrans-76.8-35.4179.100000113.6S266S266-A268 PolarHBondContact O-N 3.1Å
269D49.8Very low49.1Very low85 Ų85115.9 Ų115.946%0.45562%0.617SS.*Hα-helixtrans-79.2-24.2-170.5-66.8-29.6000113.6R265 S266 H271 Q273R265-D269 IonicContact NH2-OD2 3.92Å; S266-D269 PolarHBondContact O-N 3.48Å; D269-H271 PolarHBondContact O-N 2.93Å; D269-Q273 PolarHBondContact O-NE2 3.14Å
270E49.5Very low49.6Very low114 Ų114112 Ų11253%0.53361%0.61SS.*Hα-helixtrans-75.7-23.3-174.8-58.9-151.2137.200113L274E270-L274 WeakPolarHBondContact O-CG 3.44Å; E270-L274 PolarHBondContact O-N 3.02Å; E270-L274 VanDerWaalsContact O-N 3.14Å
271H49.1Very low50.1Low126 Ų126110.3 Ų110.358%0.58361%0.607SS**Hα-helixtrans-67.2-39.8179.2-169.253000112.3D269 I275D269-H271 PolarHBondContact O-N 2.93Å; H271-I275 WeakPolarHBondContact O-CG1 3.38Å; H271-I275 PolarHBondContact O-N 3.39Å
272N52.8Low50.3Low116 Ų116109.3 Ų109.362%0.6260%0.595SS**Hα-helixtrans-72.9-35.4179.2-71.4-17.1000112.4I275 A276N272-I275 PolarHBondContact O-N 2.9Å; N272-A276 PolarHBondContact O-N 2.94Å; N272-A276 VanDerWaalsContact O-N 3.12Å
273Q56Low50.4Low94 Ų94103.4 Ų103.444%0.43958%0.578SS.*Hα-helixtrans-67.7-43.3177.4-7516495.300111.9D269 I275 A276 E277D269-Q273 PolarHBondContact O-NE2 3.14Å; Q273-I275 VanDerWaalsContact C-N 3.29Å; Q273-I275 PolarHBondContact O-N 3.37Å; Q273-A276 PolarHBondContact O-N 3.15Å; Q273-E277 PolarHBondContact O-N 3.44Å
274L53.1Low50.5Low113 Ų113105.1 Ų105.159%0.59257%0.566SS**Hα-helixtrans-64.5-30.7177.1-76.7168.7000113.3E270 A278E270-L274 WeakPolarHBondContact O-CG 3.44Å; E270-L274 PolarHBondContact O-N 3.02Å; E270-L274 VanDerWaalsContact O-N 3.14Å; L274-A278 VanDerWaalsContact O-CB 3.28Å; L274-A278 WeakPolarHBondContact O-CB 3.47Å; L274-A278 PolarHBondContact O-N 2.69Å
275I55.2Low50.1Low85 Ų85101.1 Ų101.144%0.43655%0.554SS.*Hα-helixtrans-71.9-43173.8-67168.2000110.3H271 N272 Q273 A278 I279H271-I275 WeakPolarHBondContact O-CG1 3.38Å; H271-I275 PolarHBondContact O-N 3.39Å; N272-I275 PolarHBondContact O-N 2.9Å; Q273-I275 VanDerWaalsContact C-N 3.29Å; Q273-I275 PolarHBondContact O-N 3.37Å; I275-A278 PolarHBondContact O-N 3.07Å; I275-I279 HydrophobicContact CG2-CD1 4.01Å; I275-I279 WeakPolarHBondContact O-CD1 3.09Å; I275-I279 VanDerWaalsContact O-CG1 3.28Å; I275-I279 WeakPolarHBondContact O-CG1 3.24Å; I275-I279 PolarHBondContact O-N 2.79Å
276A55.1Low49.9Very low58 Ų58100.1 Ų100.148%0.47956%0.556SS.*Hα-helixtrans-59.1-50.117700000112.3N272 Q273 A278 I279 D280N272-A276 PolarHBondContact O-N 2.94Å; N272-A276 VanDerWaalsContact O-N 3.12Å; Q273-A276 PolarHBondContact O-N 3.15Å; A276-A278 VanDerWaalsContact C-N 3.3Å; A276-A278 PolarHBondContact O-N 3.07Å; A276-I279 PolarHBondContact O-N 3.39Å; A276-D280 PolarHBondContact O-N 3.35Å
277E48.3Very low49.7Very low137 Ų137105.5 Ų105.564%0.6456%0.563SS**Hα-helixtrans-64.9-31.3178.9-68.5-172.7167.900113.1Q273 I279 D280 S281Q273-E277 PolarHBondContact O-N 3.44Å; E277-I279 VanDerWaalsContact C-N 3.34Å; E277-D280 PolarHBondContact O-N 3.32Å; E277-S281 WeakPolarHBondContact O-CB 3.31Å; E277-S281 PolarHBondContact O-N 3.14Å; E277-S281 PolarHBondContact O-OG 3.23Å
278A53.5Low48.9Very low41 Ų41106.6 Ų106.634%0.33956%0.556SS.*Hα-helixtrans-70.8-28176.400000113.2L274 I275 A276 S282L274-A278 VanDerWaalsContact O-CB 3.28Å; L274-A278 WeakPolarHBondContact O-CB 3.47Å; L274-A278 PolarHBondContact O-N 2.69Å; I275-A278 PolarHBondContact O-N 3.07Å; A276-A278 VanDerWaalsContact C-N 3.3Å; A276-A278 PolarHBondContact O-N 3.07Å; A278-S282 VanDerWaalsContact O-CB 3.22Å; A278-S282 WeakPolarHBondContact O-CB 3.37Å; A278-S282 PolarHBondContact O-N 3.37Å
279I56.1Low48.2Very low114 Ų114110.9 Ų110.959%0.58557%0.568SS**Hα-helixtrans-75-44.5174.2-58.8156.1000109.6I275 A276 E277 S281 S282 I283I275-I279 HydrophobicContact CG2-CD1 4.01Å; I275-I279 WeakPolarHBondContact O-CD1 3.09Å; I275-I279 VanDerWaalsContact O-CG1 3.28Å; I275-I279 WeakPolarHBondContact O-CG1 3.24Å; I275-I279 PolarHBondContact O-N 2.79Å; A276-I279 PolarHBondContact O-N 3.39Å; E277-I279 VanDerWaalsContact C-N 3.34Å; I279-S281 PolarHBondContact O-N 3.45Å; I279-S282 PolarHBondContact O-N 3.16Å; I279-I283 PolarHBondContact O-N 3.16Å
280D49.8Very low47.7Very low124 Ų124112.6 Ų112.666%0.66358%0.584SS**Hα-helixtrans-71.5-30.1-175.8-146.733.3000113.1A276 E277 I283A276-D280 PolarHBondContact O-N 3.35Å; E277-D280 PolarHBondContact O-N 3.32Å; D280-I283 WeakPolarHBondContact O-CG2 3.33Å
281S52Low47Very low74 Ų74112.9 Ų112.952%0.51760%0.599SS.*Hα-helixtrans-82-18.4172.354.20000114.2E277 I279 S285E277-S281 WeakPolarHBondContact O-CB 3.31Å; E277-S281 PolarHBondContact O-N 3.14Å; E277-S281 PolarHBondContact O-OG 3.23Å; I279-S281 PolarHBondContact O-N 3.45Å; S281-S285 PolarHBondContact O-OG 3.49Å
282S43Very low46.2Very low65 Ų65112.1 Ų112.146%0.45561%0.608SS.*Hα-helixtrans-80.6-39.8177-174.70000112.4A278 I279 E284 S285A278-S282 VanDerWaalsContact O-CB 3.22Å; A278-S282 WeakPolarHBondContact O-CB 3.37Å; A278-S282 PolarHBondContact O-N 3.37Å; I279-S282 PolarHBondContact O-N 3.16Å; S282-E284 PolarHBondContact O-N 3.13Å; S282-S285 PolarHBondContact O-N 3.08Å
283I48.9Very low45.5Very low105 Ų105112.1 Ų112.154%0.53862%0.617SS.*Hα-helixtrans-64.4-37.3-177.3-164.570.8000112.9I279 D280 S285I279-I283 PolarHBondContact O-N 3.16Å; D280-I283 WeakPolarHBondContact O-CG2 3.33Å; I283-S285 VanDerWaalsContact C-N 3.34Å; I283-S285 PolarHBondContact O-N 2.97Å
284E43.1Very low44.6Very low111 Ų111117.5 Ų117.552%0.51964%0.639SS.*THydrogen-bonded Turntrans-76.4-20.3-178.3-168.857.5-143.300113.2S282 R288S282-E284 PolarHBondContact O-N 3.13Å; E284-R288 IonicContact OE1-CZ 2.82Å; E284-R288 IonicContact OE1-NH1 3.42Å; E284-R288 IonicContact OE1-NH2 3.69Å; E284-R288 PolarHBondContact OE1-NH2 3.11Å
285S41.7Very low44.1Very low92 Ų92118.1 Ų118.164%0.64365%0.65SS**THydrogen-bonded Turntrans-96.8-20.7-168.7-61.10000114.9S281 S282 I283S281-S285 PolarHBondContact O-OG 3.49Å; S282-S285 PolarHBondContact O-N 3.08Å; I283-S285 VanDerWaalsContact C-N 3.34Å; I283-S285 PolarHBondContact O-N 2.97Å
286Q43Very low43Very low135 Ų135122.6 Ų122.663%0.63167%0.674SS**SBendtrans-94.4-9.1-169.3-157.2169-99.100115.1
287W39.2Very low42.1Very low197 Ų197125.4 Ų125.475%0.74669%0.69SS**  trans-105.82.1-175.5-62.9110.5000115.2L289W287-L289 PolarHBondContact O-N 3.29Å; W287-L289 VanDerWaalsContact O-N 3.09Å
288R37.2Very low41.7Very low183 Ų183124.4 Ų124.469%0.69170%0.698SS**  trans-80.984.8174-62.4-74.9-165.1-103.8-9.6110.2E284E284-R288 IonicContact OE1-CZ 2.82Å; E284-R288 IonicContact OE1-NH1 3.42Å; E284-R288 IonicContact OE1-NH2 3.69Å; E284-R288 PolarHBondContact OE1-NH2 3.11Å
289L35.5Very low40.8Very low159 Ų159133.4 Ų133.483%0.83273%0.725SS**PPolyproline II helixtrans-54.1130.1168.1-74.6163.7000110.2W287 S291W287-L289 PolarHBondContact O-N 3.29Å; W287-L289 VanDerWaalsContact O-N 3.09Å; L289-S291 PolarHBondContact O-N 2.76Å
290P40.3Very low40.5Very low122 Ų122133.9 Ų133.979%0.79274%0.736SS**PPolyproline II helixtrans-71.1118.9170.728.4-31.7000109.4
291S34Very low39.9Very low120 Ų120136 Ų13684%0.83974%0.741SS**PPolyproline II helixtrans-55.7140.7178.2-53.60000112.2L289L289-S291 PolarHBondContact O-N 2.76Å
292S32.3Very low39.4Very low109 Ų109140.3 Ų140.376%0.76276%0.757SS**PPolyproline II helixtrans-52.3129.3-174.8520000115.4
293S38.4Very low39.1Very low117 Ų117140 Ų14082%0.81876%0.764SS**  trans-167.891.4150.4-81.40000110.5
294F37.3Very low38.6Very low207 Ų207139.4 Ų139.491%0.90878%0.775SS**PPolyproline II helixtrans-102.2130.7169.7-70.5-74.2000110.3
295P42Very low38.5Very low126 Ų126142.8 Ų142.882%0.81880%0.796SS**PPolyproline II helixtrans-80.4136160.831.8-30.2000110.6
296L31.5Very low38.2Very low179 Ų179141.8 Ų141.894%0.93780%0.8SS**PPolyproline II helixtrans-72.5132.1-177.2-168.678.8000112.2
297S37.1Very low38.1Very low116 Ų116142.5 Ų142.581%0.81181%0.808SS**  trans-160.5119.4157.3-1590000115
298S38.8Very low38.2Very low116 Ų116140.7 Ų140.781%0.81181%0.812SS**  trans7.8130.6164.5-66.60000124.1
299Y36Very low38.1Very low230 Ų230135.7 Ų135.790%0.90282%0.818SS**  trans-103.9150.4146.7-97-97.4000110.5
300P49.4Very low38Very low125 Ų125131.6 Ų131.681%0.81281%0.814SS**  trans-102.7166.5156.235.2-27.8000112.8
301H37.3Very low38.1Very low169 Ų169134.6 Ų134.678%0.78282%0.818SS**  trans-133.6139.2-155142.2-59000113.6
302L41Very low38.2Very low164 Ų164136.2 Ų136.286%0.85982%0.817SS**  trans-162.7148.4157.4-74.7-173.5000107.5
303G37.2Very low38.5Very low58 Ų58136.4 Ų136.460%0.59882%0.818SS**  cis96.6125.5-9.700000115.2
304A38Very low38.4Very low93 Ų93137 Ų13777%0.76982%0.817SS**  cis-164.8-173.1-13.300000108.6
305L40.7Very low38.6Very low182 Ų182134 Ų13495%0.95382%0.816SS**  trans78.1144.9175.2-48.8169.3000116.5
306G36.8Very low38.2Very low71 Ų71133.4 Ų133.473%0.73281%0.814SS**  cis148.3123.9-10.600000115.2
307D39.2Very low38.5Very low149 Ų149130.7 Ų130.780%0.79781%0.81SS**  trans90.1151.6147.2-148.716.5000122.7
308L42Very low38.5Very low159 Ų159133 Ų13383%0.83281%0.812SS**  trans66.7137.7168.4-46.8175.6000118.3
309G35.8Very low38.9Very low78 Ų78132.8 Ų132.880%0.80481%0.809SS**  cis160.3131-8.200000113.3
310G34Very low38.8Very low74 Ų74131.3 Ų131.376%0.76381%0.807SS**  trans102.2146.4135.300000122.6
311Q41.1Very low38.5Very low185 Ų185134.1 Ų134.186%0.86481%0.811SS**  trans84.680.9145.187.1-154.12700124.8
312N35.4Very low38.3Very low154 Ų154133 Ų13382%0.82481%0.807SS**  19.3134.3120.5-53.1-8.1000123.4
313S39.8Very low38Very low113 Ų113133.7 Ų133.779%0.7980%0.802SS**  trans161122.2130.644.10000109.1
314T35.2Very low38.1Very low128 Ų128140.1 Ų140.179%0.78582%0.817SS**  71.1105.253.4-48.90000114.6
315V41.6Very low37.9Very low146 Ų146144.1 Ų144.189%0.88582%0.82SS**  -173.8155.3121.9-89.60000112.9
316S34Very low38.4Very low113 Ų113140.2 Ų140.279%0.7981%0.805SS**  trans-85.4164.1-172.1-40.60000115.4
317S38.5Very low38.9Very low121 Ų121142 Ų14285%0.84680%0.804SS**  trans178.1128.4131-78.70000114.7
318L37.2Very low38.8Very low164 Ų164140 Ų14086%0.85980%0.802SS**  trans-105.7171.4155.8-119.979.8000107.2
319P46.1Very low38.8Very low113 Ų113137.7 Ų137.773%0.73480%0.799SS**  cis-156.616740.643.6-21.1000120.6
320K34.2Very low39Very low198 Ų198142.6 Ų142.686%0.86180%0.798SS**  trans49.9124.1130.1-163.5172.8-172.5173.40124.1
321M43.8Very low39.4Very low184 Ų184147 Ų14791%0.90680%0.803SS**  trans-167.7172148.159.6178.472.600110
322E33.4Very low39.6Very low147 Ų147141.5 Ų141.569%0.68780%0.796SS**  -156.5146.4-68.4168.6167.3123.800109.7
323K33.7Very low39.7Very low177 Ų177141.5 Ų141.577%0.7780%0.796SS**  trans57.8139.1167.1-76.3166.6-177.4137.40117.6
324Q38.6Very low39.8Very low193 Ų193142.8 Ų142.890%0.90279%0.794SS**  -153.2169.756.1-74.9176.8-13.500112.4
325Q34.6Very low40.2Very low178 Ų178143.7 Ų143.783%0.83280%0.8SS**  trans-149.4-169.8-169.9-152.1-154.8-12.500110.8
326P51.9Low40.2Very low99 Ų99140.5 Ų140.564%0.64380%0.796SS**  -99.8-146.9-107.641.1-22.1000113.4
327P46.9Very low40.2Very low108 Ų108140.6 Ų140.670%0.70180%0.804SS**  -156.5177.462.442.2-19.4000120.2
328S36.9Very low40.1Very low109 Ų109138.4 Ų138.476%0.76280%0.801SS**  trans68.8140.1155.569.10000118.4
329S42.9Very low40.2Very low109 Ų109139.7 Ų139.776%0.76281%0.805SS**  cis-165.4173.735.3-89.30000110.6
330F38.3Very low40Very low181 Ų181139.1 Ų139.179%0.79481%0.81SS**  cis-173.7163.1-29.8-153.9-102.5000108.8
331L43.9Very low40.2Very low167 Ų167139.2 Ų139.287%0.87482%0.815SS**  trans65.7141.2-178.3-59.1112.1000117.6
332G45.5Very low39.8Very low69 Ų69133.6 Ų133.671%0.71181%0.805SS**  cis-174.1150.1-7.300000112
333N36Very low40.1Very low155 Ų155132.1 Ų132.183%0.82981%0.811SS**  trans-78.5176.2170-828.9000109.6
334D43.1Very low40Very low140 Ų140129 Ų12975%0.74982%0.818SS**  cis-154.715240.8-36.8-64.7000109
335T44Very low39.8Very low146 Ų146124.6 Ų124.690%0.89681%0.809SS**  177.3166.256.928.90000107.8
336G39.9Very low39.8Very low79 Ų79121.1 Ų121.181%0.81481%0.81SS**  trans124.491.1157.800000117.2
337A35.7Very low39.1Very low115 Ų115124.4 Ų124.495%0.9582%0.815SS**  trans-57.2151.4-179.500000116.9
338G35.7Very low38.9Very low76 Ų76127.2 Ų127.278%0.78482%0.818SS**  trans177.978.8171.700000116
339M39.7Very low39.3Very low191 Ų191131.1 Ų131.194%0.94183%0.825SS**  trans-29.4129.6172.9-58.9-73.3-163.700117.7
340A40.7Very low39.7Very low101 Ų101128.7 Ų128.784%0.83582%0.816SS**  171.2135.9116.100000112.6
341M39.3Very low40.5Very low199 Ų199126.1 Ų126.198%0.9881%0.807SS**  trans-84.1145.4174.5-63.2-133.7-66.400111.9
342G36.3Very low41.1Very low67 Ų67122.5 Ų122.569%0.69179%0.792SS**  trans177.583.1172.300000117.1
343S38.3Very low41.6Very low116 Ų116121.1 Ų121.181%0.81177%0.768SS**  trans47.7109.8154.459.50000119.8
344A32Very low42.7Very low110 Ų110122.3 Ų122.391%0.90976%0.761SS**  trans-63.4136.2155.200000111.1
345S34.4Very low43.9Very low102 Ų102121.8 Ų121.871%0.71375%0.754SS**  trans-152.8129.3164-161.90000110.4K347S345-K347 PolarHBondContact O-N 3.16Å; S345-K347 VanDerWaalsContact O-N 3.08Å
346A33.6Very low44.5Very low105 Ų105117.1 Ų117.187%0.86872%0.721SS**  trans-68.1104.9-176.300000111.4
347K38.6Very low45.7Very low168 Ų168118.3 Ų118.373%0.7370%0.704SS**  trans-143.949.3176-81.9-168.6172.2-179.30112.5S345 Q351S345-K347 PolarHBondContact O-N 3.16Å; S345-K347 VanDerWaalsContact O-N 3.08Å; K347-Q351 PolarHBondContact O-NE2 2.91Å
348Q41.9Very low47.4Very low167 Ų167117.2 Ų117.278%0.7868%0.682SS**  trans-102.2-17.4178.6-120.1-179.8-6.400114.9G350Q348-G350 PolarHBondContact O-N 3.08Å
349E46Very low48.9Very low191 Ų191119.1 Ų119.189%0.89367%0.671SS**THydrogen-bonded Turntrans-79.2-15.9-174.2-154.4169.6158.200114.1
350G50.1Low50.2Low57 Ų57115.7 Ų115.759%0.58865%0.647SS**THydrogen-bonded Turntrans-101.81.4-179.200000115.9Q348Q348-G350 PolarHBondContact O-N 3.08Å
351Q54.9Low51Low128 Ų128115.2 Ų115.260%0.59864%0.636SS**SBendtrans-94.4-26.9-174.1-67.6-172.4400113.8K347 L353 R354 H355K347-Q351 PolarHBondContact O-NE2 2.91Å; Q351-L353 PolarHBondContact O-N 3.48Å; Q351-R354 PolarHBondContact O-N 3.39Å; Q351-H355 PolarHBondContact O-N 3.03Å
352T58.1Low51.9Low91 Ų91113 Ų11356%0.55862%0.62SS**Hα-helixtrans-58.1-49.1179.943.50000112.3R354 H355 F356T352-R354 PolarHBondContact O-N 2.88Å; T352-H355 PolarHBondContact O-N 3.15Å; T352-F356 PolarHBondContact O-N 3.31Å
353L54.8Low52.2Low40 Ų40112.2 Ų112.221%0.20961%0.607CS.*Hα-helixtrans-68-32.4178.3-79.6173.6000113.9Y65 E69 Q351 F356 F357Y65-L353 HydrophobicContact CD1-CD1 3.84Å; Y65-L353 HydrophobicContact CE1-CD1 4.32Å; E69-L353 HydrophobicContact CG-CD2 3.57Å; E69-L353 HydrophobicContact CG-CG 4.23Å; E69-L353 WeakPolarHBondContact OE1-CD1 3.11Å; E69-L353 WeakPolarHBondContact OE1-CG 3.18Å; Q351-L353 PolarHBondContact O-N 3.48Å; L353-F356 PolarHBondContact O-N 2.91Å; L353-F357 HydrophobicContact CD2-CE2 4.08Å; L353-F357 VanDerWaalsContact O-CD2 3.25Å; L353-F357 WeakPolarHBondContact O-CD2 3.4Å; L353-F357 PolarHBondContact O-N 2.79Å
354R60.1Low52.7Low180 Ų180117.2 Ų117.268%0.67961%0.608SS**Hα-helixtrans-60.6-50176.9-80.9-76.4175.9171.5-3.1110.3Q351 T352 F356 F357 D358Q351-R354 PolarHBondContact O-N 3.39Å; T352-R354 PolarHBondContact O-N 2.88Å; R354-F356 PolarHBondContact O-N 3.24Å; R354-F357 PolarHBondContact O-N 3.12Å; R354-D358 VanDerWaalsContact O-CB 3.29Å; R354-D358 WeakPolarHBondContact O-CB 3.47Å; R354-D358 PolarHBondContact O-N 2.87Å
355H67.6Low53.6Low129 Ų129118.7 Ų118.760%0.59760%0.601SS**Hα-helixtrans-59.9-34.6176.9-161.3-53.7000112.7Q351 T352 E359Q351-H355 PolarHBondContact O-N 3.03Å; T352-H355 PolarHBondContact O-N 3.15Å; H355-E359 PolarHBondContact O-N 3.12Å
356F56.9Low54.2Low48 Ų48118.9 Ų118.921%0.21160%0.602CS.*Hα-helixtrans-67.1-49.7176.8-176.9-97.9000112.9A72 T352 L353 R354 D358 W360A72-F356 HydrophobicContact CB-CD1 4.27Å; A72-F356 HydrophobicContact CB-CD2 4.23Å; A72-F356 HydrophobicContact CB-CE1 3.61Å; A72-F356 HydrophobicContact CB-CE2 3.58Å; A72-F356 HydrophobicContact CB-CZ 3.22Å; T352-F356 PolarHBondContact O-N 3.31Å; L353-F356 PolarHBondContact O-N 2.91Å; R354-F356 PolarHBondContact O-N 3.24Å; F356-D358 VanDerWaalsContact C-N 3.29Å; F356-D358 PolarHBondContact O-N 2.85Å; F356-W360 AromaticContact CE1-CE3 3.94Å; F356-W360 HydrophobicContact CE1-CE3 3.94Å; F356-W360 HydrophobicContact CE1-CZ3 4Å; F356-W360 AromaticContact CZ-CE3 3.94Å; F356-W360 HydrophobicContact CZ-CE3 3.94Å; F356-W360 AromaticContact CZ-CZ3 3.81Å; F356-W360 HydrophobicContact CZ-CZ3 3.81Å; F356-W360 PolarHBondContact O-N 2.99Å
357F65.8Low54.7Low104 Ų104123.4 Ų123.446%0.45660%0.597SS.*Hα-helixtrans-72.2-23.2178.3-72.1-67.1000113.1L68 L353 R354 W360L68-F357 HydrophobicContact CD2-CZ 4.4Å; L353-F357 HydrophobicContact CD2-CE2 4.08Å; L353-F357 VanDerWaalsContact O-CD2 3.25Å; L353-F357 WeakPolarHBondContact O-CD2 3.4Å; L353-F357 PolarHBondContact O-N 2.79Å; R354-F357 PolarHBondContact O-N 3.12Å; F357-W360 WeakPolarHBondContact O-CB 2.99Å
358D70.6Confident55.2Low91 Ų91121.1 Ų121.149%0.48760%0.6SS.*Hα-helixtrans-77-32179.2-80.9-43.2000113.9R354 F356 K362R354-D358 VanDerWaalsContact O-CB 3.29Å; R354-D358 WeakPolarHBondContact O-CB 3.47Å; R354-D358 PolarHBondContact O-N 2.87Å; F356-D358 VanDerWaalsContact C-N 3.29Å; F356-D358 PolarHBondContact O-N 2.85Å; D358-K362 PolarHBondContact O-NZ 3Å; D358-K362 IonicContact OD1-NZ 3.15Å; D358-K362 PolarHBondContact OD1-NZ 3.17Å; D358-K362 VanDerWaalsContact OD1-NZ 3.15Å
359E67.6Low54.9Low117 Ų117116.6 Ų116.655%0.54760%0.597SS.*SBendtrans-83.7-7.1174.9-161.3-178.7-169.200113K76 H355K76-E359 IonicContact NZ-OE1 2.9Å; K76-E359 IonicContact NZ-OE2 2.69Å; K76-E359 PolarHBondContact NZ-OE2 3.06Å; H355-E359 PolarHBondContact O-N 3.12Å
360W65.4Low54.9Low119 Ų119116 Ų11645%0.45160%0.6SS.*SBendtrans-57.9138.6177.5-168-89.2000111.3Y75 F356 F357 K362Y75-W360 HydrophobicContact CD1-CH2 4.48Å; Y75-W360 HydrophobicContact CD1-CZ3 4.4Å; Y75-W360 HydrophobicContact CE1-CH2 4.17Å; Y75-W360 HydrophobicContact CE1-CZ3 4.33Å; F356-W360 AromaticContact CE1-CE3 3.94Å; F356-W360 HydrophobicContact CE1-CE3 3.94Å; F356-W360 HydrophobicContact CE1-CZ3 4Å; F356-W360 AromaticContact CZ-CE3 3.94Å; F356-W360 HydrophobicContact CZ-CE3 3.94Å; F356-W360 AromaticContact CZ-CZ3 3.81Å; F356-W360 HydrophobicContact CZ-CZ3 3.81Å; F356-W360 PolarHBondContact O-N 2.99Å; F357-W360 WeakPolarHBondContact O-CB 2.99Å; W360-K362 WeakPolarHBondContact O-CG 3.18Å; W360-K362 PolarHBondContact O-N 2.91Å
361P59.2Low54.4Low91 Ų91118.5 Ų118.559%0.59161%0.608SS**  trans-61.4101.2179.223-33.1000111.2A363P361-A363 VanDerWaalsContact C-N 3.29Å; P361-A363 PolarHBondContact O-N 3.46Å
362K57.7Low53.6Low151 Ų151119.5 Ų119.566%0.65762%0.617SS**  trans-81.92.7-174.8-81.4158178.2167.20114.3D358 W360D358-K362 PolarHBondContact O-NZ 3Å; D358-K362 IonicContact OD1-NZ 3.15Å; D358-K362 PolarHBondContact OD1-NZ 3.17Å; D358-K362 VanDerWaalsContact OD1-NZ 3.15Å; W360-K362 WeakPolarHBondContact O-CG 3.18Å; W360-K362 PolarHBondContact O-N 2.91Å
363A43.3Very low52.9Low51 Ų51124.3 Ų124.342%0.42163%0.634SS.*  trans-138.5144.2175.900000110.1P361 D365P361-A363 VanDerWaalsContact C-N 3.29Å; P361-A363 PolarHBondContact O-N 3.46Å; A363-D365 PolarHBondContact O-N 2.77Å
364R48Very low52.1Low221 Ų221129 Ų12983%0.83466%0.664SS**THydrogen-bonded Turntrans-84.97.1-178.4-145.916878.2174.76.4112.4
365D50.6Low51.1Low141 Ų141125.4 Ų125.475%0.75467%0.673SS**THydrogen-bonded Turntrans-116.82.3-158.5-41.6-68.9000112.8A363A363-D365 PolarHBondContact O-N 2.77Å
366S46.6Very low49.7Very low106 Ų106124.1 Ų124.174%0.74168%0.678SS**  trans-101.416.2177.3-590000114.2P368S366-P368 WeakPolarHBondContact O-CD 3.22Å
367W45.5Very low49.1Very low201 Ų201129.2 Ų129.276%0.76171%0.707SS**SBendtrans-69.8119.6166.7-69.797.3000108.7G369W367-G369 PolarHBondContact O-N 3.1Å
368P49Very low47.7Very low120 Ų120128.8 Ų128.878%0.77972%0.722SS**PPolyproline II helixtrans-62.9123.1176.224.3-30.2000108.6S366 L370S366-P368 WeakPolarHBondContact O-CD 3.22Å; P368-L370 PolarHBondContact O-N 3.13Å
369G34.3Very low46.1Very low71 Ų71130 Ų13073%0.73274%0.738SS**PPolyproline II helixtrans-61.2120.4-169.300000112.7W367 S371W367-G369 PolarHBondContact O-N 3.1Å; G369-S371 PolarHBondContact O-N 3.46Å; G369-S371 VanDerWaalsContact O-N 3.16Å
370L45.9Very low45Very low180 Ų180133.7 Ų133.794%0.94275%0.753SS**  trans-68.3102.2149.5-71.9168000106.1P368P368-L370 PolarHBondContact O-N 3.13Å
371S41.4Very low44.4Very low109 Ų109133.3 Ų133.376%0.76277%0.766SS**  trans-62.6150.1-173.448.10000113.3G369 E373G369-S371 PolarHBondContact O-N 3.46Å; G369-S371 VanDerWaalsContact O-N 3.16Å; S371-E373 PolarHBondContact O-N 3.1Å
372D37.8Very low44Very low149 Ų149135.1 Ų135.180%0.79778%0.777SS**  trans-43.8127.9172.6-66.4-71.5000113.9
373E43.5Very low43.7Very low192 Ų192132.3 Ų132.390%0.89778%0.782SS**  trans-159.67.7150.5-96.6-142.6106.900115.2S371S371-E373 PolarHBondContact O-N 3.1Å
374T38.2Very low43.9Very low137 Ų137136.1 Ų136.184%0.8480%0.801SS**  trans-125.935.7-179.751.60000114.9S376T374-S376 PolarHBondContact O-N 3.37Å
375A37.7Very low44.2Very low105 Ų105133.6 Ų133.687%0.86880%0.798SS**  trans-7645.8171.100000113.6
376S38.1Very low43.6Very low102 Ų102134.9 Ų134.971%0.71380%0.804SS**  trans-166.598.9164.6-171.70000110.7T374T374-S376 PolarHBondContact O-N 3.37Å
377L44.1Very low44Very low155 Ų155132.8 Ų132.881%0.81279%0.79SS**SBendtrans162.6102.9142.7-88176.3000109.8
378A38.1Very low43.8Very low95 Ų95132.9 Ų132.979%0.78580%0.801SS**  trans13.2130.6158.700000121.5
379S35.2Very low44Very low116 Ų116131.5 Ų131.581%0.81179%0.794SS**  trans80.166.8144.5-165.60000118.9
380F45.9Very low44.8Very low195 Ų195135.7 Ų135.786%0.85580%0.798SS**PPolyproline II helixtrans-83.3139.1152.1-68.2-77.2000110.8
381P52.2Low45.3Very low112 Ų112132.7 Ų132.773%0.72779%0.79SS**PPolyproline II helixtrans-70.2153.7175.530.5-34.7000111.3
382P51.7Low46.3Very low128 Ų128135.7 Ų135.783%0.83179%0.794SS**PPolyproline II helixtrans-66.9144.8-175.528.1-34.9000112
383A51.8Low46.7Very low92 Ų92133.3 Ų133.376%0.7680%0.795SS**PPolyproline II helixtrans-55.1139.9-174.100000113.7Q385A383-Q385 PolarHBondContact O-N 2.71Å
384T46.3Very low46.9Very low132 Ų132129.3 Ų129.381%0.8179%0.788SS**  trans-60.897.5172.923.50000111.4L386T384-L386 PolarHBondContact O-N 2.8Å; T384-L386 VanDerWaalsContact O-N 3.09Å
385Q55Low47.3Very low167 Ų167127.7 Ų127.778%0.7878%0.782SS**  trans-72.597.1168.5-74.9-134.134.800110.4A383 S387A383-Q385 PolarHBondContact O-N 2.71Å; Q385-S387 PolarHBondContact O-N 2.97Å; Q385-S387 VanDerWaalsContact O-N 3.15Å; Q385-S387 PolarHBondContact OE1-OG 3.08Å
386L38.4Very low47.9Very low169 Ų169129.8 Ų129.889%0.88578%0.779SS**  trans-84.866.9167.4-65.1178.3000110.3T384T384-L386 PolarHBondContact O-N 2.8Å; T384-L386 VanDerWaalsContact O-N 3.09Å
387S55.1Low48.3Very low62 Ų62133.9 Ų133.943%0.43478%0.784SS.*  trans-118.8104.5174.240.80000109.5Q385 S389Q385-S387 PolarHBondContact O-N 2.97Å; Q385-S387 VanDerWaalsContact O-N 3.15Å; Q385-S387 PolarHBondContact OE1-OG 3.08Å; S387-S389 PolarHBondContact O-N 2.9Å
388M39.8Very low48.6Very low203 Ų203132.2 Ų132.2100%179%0.785SS**  trans-77.262.4176.9-64.4179.168.600111.4
389S53.6Low49Very low91 Ų91134.2 Ų134.264%0.63679%0.787SS**  trans-100.7124.4167.846.10000109.6S387 P391S387-S389 PolarHBondContact O-N 2.9Å; S389-P391 WeakPolarHBondContact O-CD 3.15Å
390I51.6Low49.6Very low159 Ų159133.2 Ų133.282%0.81579%0.786SS**  trans-60.3122.1176.8-58.8168000108.1M392I390-M392 PolarHBondContact O-N 2.83Å; I390-M392 VanDerWaalsContact O-N 3.12Å
391P56Low49.6Very low117 Ų117129.2 Ų129.276%0.7678%0.783SS**  trans-68.3113.317427.4-32.2000109S389 A393S389-P391 WeakPolarHBondContact O-CD 3.15Å; P391-A393 PolarHBondContact O-N 2.98Å
392M62.1Low49.7Very low172 Ų172129.3 Ų129.385%0.84779%0.786SS**  trans-60.5128.7161.4-83.7167.750.900108.1I390 S394I390-M392 PolarHBondContact O-N 2.83Å; I390-M392 VanDerWaalsContact O-N 3.12Å; M392-S394 PolarHBondContact O-N 2.86Å; M392-S394 VanDerWaalsContact O-N 3.11Å
393A47Very low49.8Very low99 Ų99132 Ų13282%0.81879%0.787SS**  trans-67.1110.2178.900000110.2P391 S395P391-A393 PolarHBondContact O-N 2.98Å; A393-S395 PolarHBondContact O-N 3.12Å
394S47Very low50.2Low108 Ų108132.7 Ų132.776%0.75579%0.787SS**  trans-76.9106.5168.7-59.70000109.4M392 D396M392-S394 PolarHBondContact O-N 2.86Å; M392-S394 VanDerWaalsContact O-N 3.11Å; S394-D396 PolarHBondContact O-N 3.48Å
395S47.1Very low50.8Low102 Ų102131.6 Ų131.671%0.71378%0.782SS**  trans-89.883.2175.257.20000110.6A393A393-S395 PolarHBondContact O-N 3.12Å
396D50.6Low51Low150 Ų150131.3 Ų131.380%0.80279%0.785SS**  trans-99.7119.8172.3-76.2-51.3000111.2S394S394-D396 PolarHBondContact O-N 3.48Å
397F46.5Very low51.9Low187 Ų187130.3 Ų130.382%0.8278%0.781SS**  trans-71.1139.1175.7-77.9-107.7000110.4
398S49.7Very low52Low120 Ų120138.9 Ų138.984%0.83982%0.822SS**  trans-134.491.6161.5-77.80000109.5A400S398-A400 PolarHBondContact O-N 3.47Å
399V47Very low52.6Low137 Ų137135.7 Ų135.783%0.8381%0.813SS**  trans-73109.2167.4172.30000107.6
400A47Very low52.5Low95 Ų95138 Ų13879%0.78582%0.822SS**  trans-115.4113.6168.500000108.8S398 S402S398-A400 PolarHBondContact O-N 3.47Å; A400-S402 PolarHBondContact O-N 3.07Å
401S45.8Very low52.6Low112 Ų112136.8 Ų136.878%0.78382%0.823SS**  trans-65.5127.8-178.3-177.50000111.8
402S55.5Low52.4Low113 Ų113138 Ų13879%0.7983%0.826SS**  trans-109.396160.6620000109A400A400-S402 PolarHBondContact O-N 3.07Å
403Q52.5Low51.8Low184 Ų184135.9 Ų135.986%0.8683%0.825SS**  trans-72.5126.9179-167174.429.900110.1
404S61.2Low52.1Low108 Ų108138.3 Ų138.376%0.75583%0.826SS**  trans-119.8120.9169.457.90000109.5
405P58.7Low52.5Low109 Ų109140.5 Ų140.571%0.70883%0.831SS**  trans-87.9143.1179.334.7-32.9000111.7
406N58.1Low52.9Low160 Ų160143.5 Ų143.586%0.85684%0.84SS**  trans-170.8143131.3-100-20.8000110.8
407D57.1Low53.1Low148 Ų148142.9 Ų142.979%0.79184%0.843SS**  trans-76.3138.8-179.9-51.3-109.1000112.7
408D58Low53.7Low242 Ų242138.9 Ų138.9100%1.29485%0.845SS**  -173.80127.2-110.9-49.9000109.7

Retrieved 408 of 408 residues in 168.6 ms (Link to these results)