A0A087XV39_POEFO Loading...

Ribosomal protein L3 like

AlphaFold DB , UniProt , Accession A0A087XV39, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 409 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
1M62.6Low92.2Very high246 Ų246140.5 Ų140.5100%1.21269%0.689SS**  0126.20-78.7-149.8-73.900108.3
2S87.4Confident92.5Very high113 Ų113131.8 Ų131.879%0.7966%0.663SS**  trans-85.1-111.3-178.755.50000110.9
3H91.8Very high92.8Very high152 Ų152131.2 Ų131.270%0.70466%0.656SS**SBendtrans-81.3166.8179.267.2-84000111.9K5H3-K5 PolarHBondContact O-N 2.88Å
4R93.9Very high93.1Very high154 Ų154125.5 Ų125.558%0.58163%0.627SS**  trans-70.6116.1177.5-174.7-175.7175.4-174.9-1.7110F6 A8R4-F6 VanDerWaalsContact C-N 3.3Å; R4-F6 VanDerWaalsContact CD-O 3.31Å; R4-F6 WeakPolarHBondContact CD-O 3.5Å; R4-F6 WeakPolarHBondContact CG-O 3.48Å; R4-F6 PolarHBondContact NE-O 3.39Å; R4-F6 PolarHBondContact O-N 3.08Å; R4-A8 PolarHBondContact NH1-O 3.39Å
5K96.4Very high93.3Very high171 Ų171121.2 Ų121.274%0.74363%0.627SS**SBendtrans-52.5-37.6-177.9-172.3172.2-177.4172.50115.3H3H3-K5 PolarHBondContact O-N 2.88Å
6F97.4Very high93.5Very high151 Ų151119.8 Ų119.866%0.66262%0.615SS**SBendtrans-127.6126.3178.6-61.1-74.8000111.1R4R4-F6 VanDerWaalsContact C-N 3.3Å; R4-F6 VanDerWaalsContact CD-O 3.31Å; R4-F6 WeakPolarHBondContact CD-O 3.5Å; R4-F6 WeakPolarHBondContact CG-O 3.48Å; R4-F6 PolarHBondContact NE-O 3.39Å; R4-F6 PolarHBondContact O-N 3.08Å
7H96.9Very high93.6Very high184 Ų184116.1 Ų116.185%0.85260%0.596SS**  trans-65.3141.7175-66.4-82.8000111
8A97Very high93.7Very high51 Ų51114.5 Ų114.542%0.42160%0.595SS.*  trans-153.3152.5166.300000109.8R4R4-A8 PolarHBondContact NH1-O 3.39Å
9P97.7Very high93.8Very high115 Ų115110.5 Ų110.575%0.74757%0.571SS**  trans-63.1157.5179.127.2-35.6000111.7
10R96.1Very high93.9Very high117 Ų117112.4 Ų112.444%0.44257%0.571SS.*  trans-68.1141.8176.7177.5-178.6165.270.523.3111.4G12 M14 T265R10-G12 PolarHBondContact O-N 3.39Å; R10-M14 PolarHBondContact NH2-SD 3.06Å; R10-T265 PolarHBondContact NH1-O 2.81Å; R10-T265 PolarHBondContact NH2-O 3.03Å
11H97.2Very high94.1Very high91 Ų91114.5 Ų114.542%0.42157%0.572SS.*SBendtrans-77.3110.9171.2-70-66.1000112.3H236 T237H11-H236 PolarHBondContact ND1-O 3.37Å; H11-T237 HydrophobicContact CB-CG2 4.32Å
12G95.3Very high95.8Very high37 Ų37103.9 Ų103.938%0.38152%0.522SS..SBendtrans81.3155.4172.300000115R10R10-G12 PolarHBondContact O-N 3.39Å
13H96.7Very high96.2Very high123 Ų123107.4 Ų107.457%0.56952%0.523SS*.  trans-94.3131.3-169.9-173.2-75.6000112.7G15 F16H13-G15 PolarHBondContact CE1-N 3.41Å; H13-G15 PolarHBondContact ND1-N 3Å; H13-F16 HydrophobicContact CB-CD2 3.92Å; H13-F16 HydrophobicContact CB-CE2 4.35Å; H13-F16 AromaticContact CG-CD2 3.87Å; H13-F16 AromaticContact ND1-CD2 3.49Å; H13-F16 WeakPolarHBondContact ND1-CD2 3.41Å; H13-F16 AromaticContact ND1-CE2 3.75Å
14M96.5Very high96.4Very high52 Ų52105.5 Ų105.526%0.25651%0.512SS..G310 helixtrans-78.4-30.6-172.7-69.4-60-74.800114.3R10 F16 L17 F264 T265R10-M14 PolarHBondContact NH2-SD 3.06Å; M14-F16 PolarHBondContact O-N 3.5Å; M14-L17 HydrophobicContact CE-CD1 3.25Å; M14-L17 WeakPolarHBondContact O-CB 3.26Å; M14-L17 PolarHBondContact O-N 2.92Å; M14-L17 HydrophobicContact SD-CD1 3.54Å; M14-L17 VanDerWaalsContact SD-CD1 3.54Å; M14-L17 HydrophobicContact SD-CG 4.43Å; M14-F264 HydrophobicContact CE-CD2 3.59Å; M14-F264 HydrophobicContact CE-CE2 3.26Å; M14-F264 HydrophobicContact CE-CZ 4.18Å; M14-T265 HydrophobicContact CE-CG2 3.59Å
15G97.2Very high96.5Very high61 Ų61101.7 Ų101.763%0.62950%0.501SS*.G310 helixtrans-63.5-5.7175.700000115H13H13-G15 PolarHBondContact CE1-N 3.41Å; H13-G15 PolarHBondContact ND1-N 3Å
16F96.5Very high96.5Very high99 Ų9996 Ų9643%0.43448%0.475SS..G310 helixtrans-104.89.5173.3-64.7-64.8000113.7H13 M14 R19 R277H13-F16 HydrophobicContact CB-CD2 3.92Å; H13-F16 HydrophobicContact CB-CE2 4.35Å; H13-F16 AromaticContact CG-CD2 3.87Å; H13-F16 AromaticContact ND1-CD2 3.49Å; H13-F16 WeakPolarHBondContact ND1-CD2 3.41Å; H13-F16 AromaticContact ND1-CE2 3.75Å; M14-F16 PolarHBondContact O-N 3.5Å; F16-R19 WeakPolarHBondContact O-CG 3.45Å; F16-R277 VanDerWaalsContact CD1-CZ 3.47Å
17L94.9Very high96.4Very high56 Ų5688.8 Ų88.829%0.29344%0.443SS..  trans-75.9147.4161.3-72.3173.1000109.9M14 R19 W235 F264M14-L17 HydrophobicContact CE-CD1 3.25Å; M14-L17 WeakPolarHBondContact O-CB 3.26Å; M14-L17 PolarHBondContact O-N 2.92Å; M14-L17 HydrophobicContact SD-CD1 3.54Å; M14-L17 VanDerWaalsContact SD-CD1 3.54Å; M14-L17 HydrophobicContact SD-CG 4.43Å; L17-R19 HydrophobicContact CD2-CB 4.34Å; L17-R19 HydrophobicContact CD2-CG 4.05Å; L17-W235 HydrophobicContact CD2-CH2 4.04Å; L17-W235 HydrophobicContact CD2-CZ2 4.23Å; L17-W235 HydrophobicContact CG-CH2 4.45Å; L17-F264 HydrophobicContact CD1-CD2 4.09Å
18P95.3Very high96.4Very high88 Ų8887 Ų8757%0.57143%0.429SS*.SBendcis-74.3133.5-429.4-34.6000112.9R20P18-R20 VanDerWaalsContact C-N 3.26Å; P18-R20 HydrophobicContact CB-CG 4.36Å; P18-R20 HydrophobicContact CG-CG 4.35Å; P18-R20 PolarHBondContact O-N 3.3Å
19R95.3Very high96.5Very high39 Ų3985.2 Ų85.215%0.14741%0.413CS..  trans-83.265.3176.9-72.5-177.584.1-1692.4111.8F16 L17 R234F16-R19 WeakPolarHBondContact O-CG 3.45Å; L17-R19 HydrophobicContact CD2-CB 4.34Å; L17-R19 HydrophobicContact CD2-CG 4.05Å; R19-R234 PolarHBondContact NH1-O 3.13Å; R19-R234 PolarHBondContact NH2-O 2.95Å; R19-R234 PolarHBondContact O-NH2 3.39Å
20R96.4Very high96.4Very high147 Ų14788.5 Ų88.556%0.55541%0.41SS*.  trans-111.1170.7178.965.3178.6176.8-170.8-4.4112.9P18 Q275P18-R20 VanDerWaalsContact C-N 3.26Å; P18-R20 HydrophobicContact CB-CG 4.36Å; P18-R20 HydrophobicContact CG-CG 4.35Å; P18-R20 PolarHBondContact O-N 3.3Å; R20-Q275 WeakPolarHBondContact O-CG 3.02Å
21R98.1Very high96.5Very high158 Ų15886.8 Ų86.860%0.59641%0.413SS*.  trans-61.9135.7171-72-179.668.8177-0.8109.8K23 Q271 Y274R21-K23 PolarHBondContact O-N 3.45Å; R21-Q271 HydrophobicContact CG-CG 3.83Å; R21-Y274 CarbonylContact C-O 3.53Å; R21-Y274 WeakPolarHBondContact CA-O 3.15Å; R21-Y274 HydrophobicContact CB-CD1 3.87Å; R21-Y274 HydrophobicContact CG-CD1 4.1Å
22S97.6Very high96.5Very high23 Ų2383.8 Ų83.816%0.16140%0.398CS..  trans-62.3131.4171.7-178.10000109.9K24 Y274S22-K24 VanDerWaalsContact C-N 3.31Å; S22-K24 WeakPolarHBondContact CB-O 3.42Å; S22-K24 PolarHBondContact OG-N 3.38Å; S22-K24 PolarHBondContact OG-O 2.97Å; S22-Y274 PolarHBondContact N-O 2.97Å; S22-Y274 WeakPolarHBondContact O-CE1 3.46Å
23K96.3Very high96.6Very high186 Ų18682.7 Ų82.781%0.80938%0.384SS*.SBendtrans-66.5-34.9175.4-66.1-172.8176.2-171.90111.9R21R21-K23 PolarHBondContact O-N 3.45Å
24K95.1Very high96.6Very high112 Ų11286.3 Ų86.349%0.48740%0.398SS..  trans-98.2139.1177-63.7-168.4178.2-169.50110S22 V222S22-K24 VanDerWaalsContact C-N 3.31Å; S22-K24 WeakPolarHBondContact CB-O 3.42Å; S22-K24 PolarHBondContact OG-N 3.38Å; S22-K24 PolarHBondContact OG-O 2.97Å; K24-V222 WeakPolarHBondContact O-CG2 3.3Å
25H96.1Very high96.6Very high74 Ų7486.3 Ų86.334%0.34340%0.399SS..SBendtrans-74.7-37.8173.5-174.282.6000112.2V222 Y274 R343H25-V222 VanDerWaalsContact O-CG2 3.25Å; H25-V222 WeakPolarHBondContact O-CG2 3.32Å; H25-Y274 PolarHBondContact ND1-OH 2.71Å; H25-Y274 VanDerWaalsContact ND1-OH 3.16Å; H25-R343 PolarHBondContact CE1-NH1 3.25Å; H25-R343 PolarHBondContact ND1-NH1 2.8Å
26R96.7Very high96.5Very high51 Ų5186.6 Ų86.619%0.19239%0.386CS..SBendtrans-79.8145.4174.7-177.217668.789.5-12.4110.9R28 L47 I180 V344R26-R28 PolarHBondContact O-N 2.69Å; R26-L47 HydrophobicContact CG-CD2 4.47Å; R26-I180 VanDerWaalsContact CZ-O 3.27Å; R26-I180 PolarHBondContact NE-O 2.96Å; R26-I180 VanDerWaalsContact NE-O 3.09Å; R26-I180 PolarHBondContact NH2-O 2.92Å; R26-V344 HydrophobicContact CB-CG1 4.1Å; R26-V344 HydrophobicContact CG-CG1 4.27Å
27G96Very high96.5Very high0 Ų085.8 Ų85.80%039%0.391CS..PPolyproline II helixtrans-61.7117.4167.900000111.4T346G27-T346 PolarHBondContact O-OG1 2.88Å; G27-T346 VanDerWaalsContact O-OG1 3.12Å
28R97.1Very high96.5Very high148 Ų14887.6 Ų87.656%0.55841%0.408SS*.PPolyproline II helixtrans-82.2127.5172.3-179.2-178.3-178.3-176.42.1108.9R26 R30 H276R26-R28 PolarHBondContact O-N 2.69Å; R28-R30 PolarHBondContact O-N 3.13Å; R28-H276 PolarHBondContact N-NE2 3.39Å; R28-H276 PolarHBondContact O-NE2 3.47Å
29V97.9Very high96.6Very high12 Ų1288.1 Ų88.17%0.07340%0.403CS..PPolyproline II helixtrans-69.7119.3163.5-1740000107.9T31 W32 M181 I220 T346 R348V29-T31 WeakPolarHBondContact CG1-O 3.32Å; V29-W32 HydrophobicContact CB-CD2 4.41Å; V29-W32 HydrophobicContact CB-CH2 3.83Å; V29-W32 HydrophobicContact CB-CZ2 3.62Å; V29-W32 HydrophobicContact CB-CZ3 4.33Å; V29-W32 HydrophobicContact CG1-CD2 3.6Å; V29-W32 HydrophobicContact CG1-CE3 3.8Å; V29-W32 HydrophobicContact CG1-CG 4.22Å; V29-W32 HydrophobicContact CG1-CH2 3.94Å; V29-W32 HydrophobicContact CG1-CZ2 3.77Å; V29-W32 HydrophobicContact CG1-CZ3 3.98Å; V29-W32 HydrophobicContact CG2-CH2 3.68Å; V29-W32 HydrophobicContact CG2-CZ2 4Å; V29-W32 HydrophobicContact CG2-CZ3 4.13Å; V29-M181 HydrophobicContact CG2-CE 4.12Å; V29-I220 HydrophobicContact CG2-CD1 4.14Å; V29-T346 HydrophobicContact CG2-CG2 3.54Å; V29-R348 HydrophobicContact CG1-CG 4.5Å
30R96.4Very high96.6Very high185 Ų18591.2 Ų91.270%0.69843%0.428SS*.  trans-95.1-29.1179.3-64.6-175.9-173.3-171.94.2112.5R28 H276R28-R30 PolarHBondContact O-N 3.13Å; R30-H276 PolarHBondContact NH2-ND1 3.11Å
31T97.6Very high96.7Very high80 Ų8086.3 Ų86.349%0.49141%0.412SS..SBendtrans-137.7136-177.3-46.90000107.3V29 R348 L351V29-T31 WeakPolarHBondContact CG1-O 3.32Å; T31-R348 WeakPolarHBondContact O-CD 3Å; T31-R348 PolarHBondContact O-NH1 2.64Å; T31-L351 HydrophobicContact CG2-CD1 3.99Å; T31-L351 HydrophobicContact CG2-CD2 4.4Å
32W97.9Very high96.7Very high28 Ų2881.3 Ų81.311%0.10640%0.396CS..PPolyproline II helixtrans-102.6156.9177.4-64.8101.5000109.6V29 T44 A45 R161 M181 E182 V183 Q184 L351V29-W32 HydrophobicContact CB-CD2 4.41Å; V29-W32 HydrophobicContact CB-CH2 3.83Å; V29-W32 HydrophobicContact CB-CZ2 3.62Å; V29-W32 HydrophobicContact CB-CZ3 4.33Å; V29-W32 HydrophobicContact CG1-CD2 3.6Å; V29-W32 HydrophobicContact CG1-CE3 3.8Å; V29-W32 HydrophobicContact CG1-CG 4.22Å; V29-W32 HydrophobicContact CG1-CH2 3.94Å; V29-W32 HydrophobicContact CG1-CZ2 3.77Å; V29-W32 HydrophobicContact CG1-CZ3 3.98Å; V29-W32 HydrophobicContact CG2-CH2 3.68Å; V29-W32 HydrophobicContact CG2-CZ2 4Å; V29-W32 HydrophobicContact CG2-CZ3 4.13Å; W32-T44 WeakPolarHBondContact CZ3-OG1 3.43Å; W32-A45 HydrophobicContact CH2-CB 3.99Å; W32-A45 HydrophobicContact CZ3-CB 3.48Å; W32-A45 VanDerWaalsContact CZ3-CB 3.48Å; W32-R161 VanDerWaalsContact NE1-CZ 3.35Å; W32-M181 HydrophobicContact CH2-CE 3.81Å; W32-E182 WeakPolarHBondContact CH2-O 3.33Å; W32-E182 WeakPolarHBondContact CZ2-O 3.39Å; W32-V183 HydrophobicContact CZ3-CG1 4.33Å; W32-Q184 HydrophobicContact CB-CB 4.17Å; W32-Q184 HydrophobicContact CB-CG 4.49Å; W32-Q184 VanDerWaalsContact CB-OE1 3.29Å; W32-Q184 HydrophobicContact CD2-CB 3.64Å; W32-Q184 HydrophobicContact CE3-CB 3.81Å; W32-Q184 HydrophobicContact CG-CB 3.8Å; W32-Q184 HydrophobicContact CG-CG 4.46Å; W32-Q184 VanDerWaalsContact CG-OE1 3.27Å; W32-Q184 HydrophobicContact CZ3-CB 4.4Å; W32-L351 WeakPolarHBondContact O-CD2 3.41Å
33P97.4Very high96.7Very high15 Ų1580.4 Ų80.410%0.09739%0.389CS..PPolyproline II helixtrans-52.8143.7169.4-22.533.4000110.2D35 T44 N186 K349 L351P33-D35 PolarHBondContact O-N 3.03Å; P33-T44 HydrophobicContact CG-CG2 4.13Å; P33-N186 PolarHBondContact O-ND2 3.18Å; P33-K349 HydrophobicContact CG-CB 3.96Å; P33-L351 HydrophobicContact CG-CD2 4.28Å
34K95.8Very high96.8Very high198 Ų19871.6 Ų71.686%0.86135%0.351SS*.PPolyproline II helixtrans-61.2138.6177.2-168.5176.8177.4-173.60108.6N186K34-N186 PolarHBondContact O-ND2 2.67Å; K34-N186 VanDerWaalsContact O-ND2 3.15Å
35D96.6Very high97Very high52 Ų5266.3 Ų66.328%0.27833%0.328SS..PPolyproline II helixtrans-82.1142.5-179.9-172.632000110.4P33 N186 G187 K193P33-D35 PolarHBondContact O-N 3.03Å; D35-N186 WeakPolarHBondContact OD1-CA 3.27Å; D35-N186 WeakPolarHBondContact OD1-CB 3.5Å; D35-G187 PolarHBondContact OD1-N 2.74Å; D35-K193 IonicContact OD1-NZ 3.68Å; D35-K193 PolarHBondContact OD1-NZ 3.15Å; D35-K193 IonicContact OD2-NZ 3.98Å; D35-K193 PolarHBondContact OD2-NZ 3.05Å
36D95.3Very high97.1Very high68 Ų6862.8 Ų62.836%0.36431%0.312SS..  trans-140.7108.4178.7-177.7-13.1000108.3S38 H39 G187D36-S38 PolarHBondContact O-N 2.72Å; D36-S38 VanDerWaalsContact O-N 3.15Å; D36-S38 WeakPolarHBondContact OD1-CB 3.38Å; D36-S38 PolarHBondContact OD1-N 2.57Å; D36-S38 PolarHBondContact OD1-OG 3Å; D36-S38 PolarHBondContact OD2-OG 3.45Å; D36-H39 VanDerWaalsContact CG-ND1 3.31Å; D36-H39 PolarHBondContact O-N 3.31Å; D36-H39 IonicContact OD1-ND1 2.73Å; D36-H39 IonicContact OD2-CE1 3.1Å; D36-H39 PolarHBondContact OD2-CE1 3.27Å; D36-H39 IonicContact OD2-ND1 3.2Å; D36-H39 PolarHBondContact OD2-ND1 2.98Å; D36-H39 VanDerWaalsContact OD2-ND1 3.11Å; D36-G187 WeakPolarHBondContact O-CA 3.44Å
37P95.8Very high97.2Very high82 Ų8260.4 Ų60.453%0.53230%0.303SS..THydrogen-bonded Turntrans-62.2-17.9-176.7-24.434.6000115.2H39 G188P37-H39 VanDerWaalsContact C-N 3.28Å; P37-H39 PolarHBondContact O-N 3.03Å; P37-G188 WeakPolarHBondContact O-CA 3.29Å; P37-G188 PolarHBondContact O-N 3.31Å
38S96.8Very high97.3Very high94 Ų9460.4 Ų60.466%0.65730%0.303SS*.THydrogen-bonded Turntrans-70.3-24.5179.564.20000113.4D36D36-S38 PolarHBondContact O-N 2.72Å; D36-S38 VanDerWaalsContact O-N 3.15Å; D36-S38 WeakPolarHBondContact OD1-CB 3.38Å; D36-S38 PolarHBondContact OD1-N 2.57Å; D36-S38 PolarHBondContact OD1-OG 3Å; D36-S38 PolarHBondContact OD2-OG 3.45Å
39H95.8Very high97.4Very high99 Ų9953.4 Ų53.446%0.45828%0.276SS..SBendtrans-81.7154.3-179.3-6973.3000111D36 P37 G187 G188D36-H39 VanDerWaalsContact CG-ND1 3.31Å; D36-H39 PolarHBondContact O-N 3.31Å; D36-H39 IonicContact OD1-ND1 2.73Å; D36-H39 IonicContact OD2-CE1 3.1Å; D36-H39 PolarHBondContact OD2-CE1 3.27Å; D36-H39 IonicContact OD2-ND1 3.2Å; D36-H39 PolarHBondContact OD2-ND1 2.98Å; D36-H39 VanDerWaalsContact OD2-ND1 3.11Å; P37-H39 VanDerWaalsContact C-N 3.28Å; P37-H39 PolarHBondContact O-N 3.03Å; H39-G187 CarbonylContact O-C 3.48Å; H39-G187 VanDerWaalsContact O-C 3.29Å; H39-G187 WeakPolarHBondContact O-CA 3.48Å; H39-G188 PolarHBondContact O-N 3Å
40P97Very high97.4Very high104 Ų10453.9 Ų53.968%0.67528%0.277SS*.PPolyproline II helixtrans-62.5152.5172.227.3-35.3000111.3H42P40-H42 PolarHBondContact O-N 3.09Å; P40-H42 PolarHBondContact O-ND1 3.35Å
41I97.9Very high97.5Very high43 Ų4345 Ų4522%0.22124%0.244CC..PPolyproline II helixtrans-62.9126.2179.3-58.7164.4000109.5L185 N186 G187 D192 K193 W196I41-L185 HydrophobicContact CG2-CD2 4.34Å; I41-N186 CarbonylContact C-O 3.18Å; I41-N186 VanDerWaalsContact CA-O 3.3Å; I41-N186 WeakPolarHBondContact CA-O 3.38Å; I41-G187 WeakPolarHBondContact CG1-O 3.45Å; I41-D192 HydrophobicContact CD1-CB 3.69Å; I41-D192 WeakPolarHBondContact CD1-O 2.99Å; I41-K193 HydrophobicContact CG1-CG 4.37Å; I41-K193 HydrophobicContact CG2-CG 4.43Å; I41-W196 HydrophobicContact CB-CG 4.28Å; I41-W196 HydrophobicContact CD1-CB 3.86Å; I41-W196 HydrophobicContact CD1-CG 4.3Å; I41-W196 HydrophobicContact CG2-CB 4.05Å; I41-W196 HydrophobicContact CG2-CD2 3.85Å; I41-W196 HydrophobicContact CG2-CE3 4.39Å; I41-W196 HydrophobicContact CG2-CG 3.66Å
42H97.4Very high97.5Very high53 Ų5341.3 Ų41.325%0.24522%0.221CC..EExtended strand (participates in β ladder)trans-149.5159.7179.963.7-81.4000112.6P40 N186P40-H42 PolarHBondContact O-N 3.09Å; P40-H42 PolarHBondContact O-ND1 3.35Å; H42-N186 PolarHBondContact N-O 3.03Å; H42-N186 PolarHBondContact ND1-O 2.79Å; H42-N186 PolarHBondContact O-N 2.86Å; H42-N186 VanDerWaalsContact O-N 3.1Å
43L98Very high97.5Very high5 Ų543.3 Ų43.33%0.02623%0.233CC..EExtended strand (participates in β ladder)trans-82.2146.4172.7-70166000111.1V162 V183 L185 W196 V205 V210L43-V162 HydrophobicContact CD2-CG2 3.4Å; L43-V162 VanDerWaalsContact CD2-CG2 3.4Å; L43-V183 HydrophobicContact CB-CG1 4.02Å; L43-V183 HydrophobicContact CD2-CB 3.94Å; L43-V183 HydrophobicContact CD2-CG1 3.55Å; L43-V183 HydrophobicContact CG-CG1 4.37Å; L43-L185 HydrophobicContact CD2-CD2 3.47Å; L43-L185 VanDerWaalsContact CD2-CD2 3.47Å; L43-L185 HydrophobicContact CD2-CG 4.49Å; L43-L185 HydrophobicContact CG-CD2 4.02Å; L43-W196 HydrophobicContact CD1-CH2 4.1Å; L43-W196 HydrophobicContact CD2-CH2 4.39Å; L43-W196 HydrophobicContact CD2-CZ3 4.44Å; L43-W196 HydrophobicContact CG-CH2 4.02Å; L43-V205 HydrophobicContact CD1-CB 4.37Å; L43-V205 HydrophobicContact CD1-CG1 3.73Å; L43-V205 HydrophobicContact CD1-CG2 4.27Å; L43-V210 HydrophobicContact CB-CG1 4Å; L43-V210 HydrophobicContact CB-CG2 3.91Å; L43-V210 HydrophobicContact CD1-CG2 3.88Å
44T98.3Very high97.6Very high0 Ų043.1 Ų43.10%023%0.231CC..  trans-107.1-5.9-174.954.50000114.3W32 P33 Q184 N186 R348 K349W32-T44 WeakPolarHBondContact CZ3-OG1 3.43Å; P33-T44 HydrophobicContact CG-CG2 4.13Å; T44-Q184 WeakPolarHBondContact CG2-O 3.04Å; T44-Q184 PolarHBondContact N-O 3.3Å; T44-Q184 PolarHBondContact OG1-O 3.41Å; T44-N186 HydrophobicContact CG2-CB 3.86Å; T44-R348 WeakPolarHBondContact O-CA 3.41Å; T44-K349 PolarHBondContact O-N 3.13Å
45A98.5Very high97.7Very high1 Ų137 Ų371%0.00821%0.205CC..EExtended strand (participates in β ladder)trans-155.8163.2179.100000113.1W32 M181 V183 T346 L347 R348W32-A45 HydrophobicContact CH2-CB 3.99Å; W32-A45 HydrophobicContact CZ3-CB 3.48Å; W32-A45 VanDerWaalsContact CZ3-CB 3.48Å; A45-M181 HydrophobicContact CB-CE 3.71Å; A45-V183 HydrophobicContact CB-CG1 4.2Å; A45-V183 WeakPolarHBondContact O-CG1 3.24Å; A45-T346 HydrophobicContact CB-CG2 4.46Å; A45-L347 CarbonylContact C-O 3.18Å; A45-L347 WeakPolarHBondContact CA-O 3.43Å; A45-L347 WeakPolarHBondContact CB-O 3.41Å; A45-R348 HydrophobicContact CB-CB 4.38Å; A45-R348 HydrophobicContact CB-CG 4.45Å
46F98.7Very high97.8Very high1 Ų134.5 Ų34.50%0.00419%0.192CC..EExtended strand (participates in β ladder)trans-144.6164.2179.8-156.3-91.6000111.6T81 V84 V205 I207 V210 F211 T346 L347F46-T81 HydrophobicContact CD1-CG2 4.1Å; F46-T81 HydrophobicContact CE1-CG2 4.14Å; F46-V84 HydrophobicContact CD1-CG1 4.33Å; F46-V84 HydrophobicContact CD2-CG1 4.38Å; F46-V84 HydrophobicContact CD2-CG2 4.01Å; F46-V84 HydrophobicContact CE1-CG1 3.89Å; F46-V84 HydrophobicContact CE2-CB 4.3Å; F46-V84 HydrophobicContact CE2-CG1 3.98Å; F46-V84 HydrophobicContact CE2-CG2 3.56Å; F46-V84 HydrophobicContact CZ-CB 4.33Å; F46-V84 HydrophobicContact CZ-CG1 3.71Å; F46-V84 HydrophobicContact CZ-CG2 4.07Å; F46-V205 WeakPolarHBondContact CE2-O 3.42Å; F46-I207 HydrophobicContact CB-CD1 3.7Å; F46-I207 HydrophobicContact CD1-CD1 3.4Å; F46-I207 HydrophobicContact CD2-CD1 3.93Å; F46-I207 HydrophobicContact CE1-CB 4.21Å; F46-I207 HydrophobicContact CE1-CD1 3.94Å; F46-I207 HydrophobicContact CE2-CB 4.39Å; F46-I207 HydrophobicContact CE2-CD1 4.37Å; F46-I207 HydrophobicContact CG-CD1 3.41Å; F46-I207 VanDerWaalsContact CG-CD1 3.41Å; F46-I207 HydrophobicContact CZ-CB 4.12Å; F46-I207 HydrophobicContact CZ-CD1 4.37Å; F46-V210 HydrophobicContact CD2-CB 4.37Å; F46-V210 HydrophobicContact CD2-CG2 3.91Å; F46-V210 HydrophobicContact CE2-CG2 4.41Å; F46-F211 HydrophobicContact CB-CD2 4.42Å; F46-F211 HydrophobicContact CB-CE2 3.67Å; F46-T346 WeakPolarHBondContact O-CA 3.42Å; F46-L347 PolarHBondContact N-O 3.37Å; F46-L347 PolarHBondContact O-N 3.22Å
47L98.4Very high97.9Very high0 Ų033 Ų330%018%0.184CC..EExtended strand (participates in β ladder)trans-108.1126.2173.5-66.6177.6000111.3R26 V84 H179 M181 V344 T346R26-L47 HydrophobicContact CG-CD2 4.47Å; L47-V84 HydrophobicContact CB-CG1 4.43Å; L47-H179 HydrophobicContact CD1-CB 4.03Å; L47-H179 WeakPolarHBondContact CD1-O 3.18Å; L47-M181 HydrophobicContact CD1-CB 4.31Å; L47-M181 HydrophobicContact CD1-CG 3.94Å; L47-M181 HydrophobicContact CD1-SD 4.05Å; L47-M181 HydrophobicContact CD2-CB 4.49Å; L47-M181 HydrophobicContact CD2-CG 4.19Å; L47-M181 HydrophobicContact CD2-SD 3.31Å; L47-M181 WeakPolarHBondContact CD2-SD 3.32Å; L47-M181 HydrophobicContact CG-CG 3.95Å; L47-M181 HydrophobicContact CG-SD 3.37Å; L47-M181 WeakPolarHBondContact CG-SD 3.5Å; L47-V344 HydrophobicContact CD2-CG2 4.17Å; L47-T346 WeakPolarHBondContact CD2-OG1 3.23Å
48G98.3Very high97.8Very high0 Ų029.2 Ų29.20%016%0.159CC..EExtended strand (participates in β ladder)trans-128.1169.4173.800000112.5E80 V344 L345G48-E80 CarbonylContact C-O 3.45Å; G48-E80 WeakPolarHBondContact CA-O 3.32Å; G48-V344 CarbonylContact O-C 3.59Å; G48-V344 WeakPolarHBondContact O-CA 3.46Å; G48-L345 PolarHBondContact N-O 2.64Å; G48-L345 PolarHBondContact O-N 2.8Å
49Y98.7Very high97.7Very high2 Ų227 Ų271%0.00814%0.139CC..EExtended strand (participates in β ladder)trans-124.9120.6-178.6-65.3-93.9000109.8A51 I79 E80 S166 M168 L171 I173 H179 R343 V344Y49-A51 PolarHBondContact O-N 3.12Å; Y49-I79 CarbonylContact O-C 3.6Å; Y49-I79 WeakPolarHBondContact O-CA 3.43Å; Y49-E80 PolarHBondContact N-O 3.45Å; Y49-E80 PolarHBondContact O-N 3.39Å; Y49-S166 WeakPolarHBondContact OH-CB 3.34Å; Y49-S166 PolarHBondContact OH-OG 3.01Å; Y49-M168 HydrophobicContact CE1-CE 4.23Å; Y49-M168 HydrophobicContact CE1-SD 3.85Å; Y49-M168 VanDerWaalsContact CZ-SD 3.59Å; Y49-M168 PolarHBondContact OH-SD 2.83Å; Y49-L171 HydrophobicContact CD1-CD1 3.94Å; Y49-L171 HydrophobicContact CD2-CD1 3.33Å; Y49-L171 HydrophobicContact CD2-CD2 4.23Å; Y49-L171 HydrophobicContact CD2-CG 4.42Å; Y49-L171 HydrophobicContact CE1-CD1 3.96Å; Y49-L171 HydrophobicContact CE2-CD1 3.37Å; Y49-L171 HydrophobicContact CG-CD1 3.64Å; Y49-I173 HydrophobicContact CD1-CD1 4.01Å; Y49-I173 HydrophobicContact CG-CD1 4.5Å; Y49-H179 AromaticContact CE1-CE1 3.93Å; Y49-H179 AromaticContact CE1-ND1 3.67Å; Y49-H179 AromaticContact CZ-ND1 3.66Å; Y49-H179 PolarHBondContact OH-ND1 3.18Å; Y49-R343 WeakPolarHBondContact CA-O 3.35Å; Y49-V344 HydrophobicContact CD1-CB 4.19Å; Y49-V344 HydrophobicContact CE1-CB 3.81Å; Y49-V344 HydrophobicContact CE1-CG2 4.08Å
50K98.7Very high97.6Very high21 Ų2122.3 Ų22.39%0.09112%0.117CC..EExtended strand (participates in β ladder)trans-65.1108.2-179.9-173.9175.4-178.5177.10110.3T77 V337 G339 K341 K342 R343 L345K50-T77 HydrophobicContact CD-CG2 4.32Å; K50-T77 HydrophobicContact CG-CG2 3.93Å; K50-V337 HydrophobicContact CD-CG2 3.83Å; K50-V337 HydrophobicContact CG-CG2 4.4Å; K50-V337 PolarHBondContact NZ-O 2.86Å; K50-G339 PolarHBondContact NZ-O 3.03Å; K50-K341 CarbonylContact O-C 3.44Å; K50-K341 WeakPolarHBondContact O-CA 3.19Å; K50-K342 PolarHBondContact O-N 2.97Å; K50-R343 PolarHBondContact N-O 2.75Å; K50-L345 HydrophobicContact CB-CD1 3.89Å; K50-L345 HydrophobicContact CB-CG 4.44Å
51A98.3Very high97.2Very high0 Ų022 Ų220%011%0.106CC..EExtended strand (participates in β ladder)trans-81.3-56.9-179.900000111.3Y49 I78 F320 Y323 V326Y49-A51 PolarHBondContact O-N 3.12Å; A51-I78 HydrophobicContact CB-CB 4.49Å; A51-I78 HydrophobicContact CB-CG2 4.37Å; A51-I78 PolarHBondContact N-O 2.95Å; A51-F320 HydrophobicContact CB-CD2 4.26Å; A51-Y323 VanDerWaalsContact CA-CD2 3.49Å; A51-Y323 HydrophobicContact CB-CD1 3.7Å; A51-Y323 HydrophobicContact CB-CD2 4.2Å; A51-Y323 HydrophobicContact CB-CE1 3.61Å; A51-Y323 HydrophobicContact CB-CE2 4.12Å; A51-Y323 HydrophobicContact CB-CG 3.99Å; A51-Y323 WeakPolarHBondContact O-CB 3.04Å; A51-V326 HydrophobicContact CB-CG2 3.57Å
52G98.1Very high96.8Very high1 Ų122 Ų221%0.0110%0.103CC..EExtended strand (participates in β ladder)trans-176.6-163.2-17700000112.3T77 I78G52-T77 VanDerWaalsContact O-CG2 3.29Å; G52-T77 WeakPolarHBondContact O-CG2 3.3Å; G52-I78 PolarHBondContact N-O 2.89Å; G52-I78 PolarHBondContact O-N 2.92Å
53M98.6Very high96.4Very high71 Ų7124.3 Ų24.335%0.3512%0.123SC..EExtended strand (participates in β ladder)trans-133.3148.3176.9-66.1-176.968.300108.9A75 V76 T77 C336M53-A75 HydrophobicContact CE-CB 4.47Å; M53-V76 WeakPolarHBondContact CA-O 3.35Å; M53-V76 WeakPolarHBondContact CB-O 2.75Å; M53-T77 HydrophobicContact CG-CG2 4.15Å; M53-C336 HydrophobicContact CE-CB 3.97Å; M53-C336 HydrophobicContact SD-CB 4.33Å
54T98.3Very high96Very high10 Ų1028.2 Ų28.26%0.06116%0.164CC..EExtended strand (participates in β ladder)trans-140.9-171.2168.6-163.80000108.7V76 I368 D369 K373T54-V76 HydrophobicContact CG2-CG2 3.62Å; T54-V76 PolarHBondContact N-O 3.29Å; T54-V76 WeakPolarHBondContact O-CG2 3.46Å; T54-V76 PolarHBondContact O-N 3.21Å; T54-V76 VanDerWaalsContact O-O 3.09Å; T54-I368 HydrophobicContact CG2-CG2 4.31Å; T54-D369 PolarHBondContact OG1-O 2.87Å; T54-K373 VanDerWaalsContact OG1-CE 3.27Å; T54-K373 WeakPolarHBondContact OG1-CE 3.33Å
55H98.4Very high95.6Very high70 Ų7032.3 Ų32.332%0.32419%0.186SC..EExtended strand (participates in β ladder)trans-124.1157.6170.263-87.3000110.6V73 E74 D369H55-V73 HydrophobicContact CB-CG1 3.88Å; H55-E74 WeakPolarHBondContact CA-O 3.44Å; H55-D369 VanDerWaalsContact CE1-CB 3.43Å; H55-D369 WeakPolarHBondContact CE1-CB 3.2Å; H55-D369 IonicContact CE1-OD2 2.91Å; H55-D369 PolarHBondContact CE1-OD2 3.25Å; H55-D369 IonicContact ND1-OD2 3.32Å; H55-D369 PolarHBondContact ND1-OD2 3.06Å; H55-D369 WeakPolarHBondContact NE2-CB 3.34Å; H55-D369 IonicContact NE2-OD2 3.76Å; H55-D369 PolarHBondContact O-N 3.21Å; H55-D369 VanDerWaalsContact O-N 3.13Å
56T97.9Very high95.3Very high0 Ų041.8 Ų41.80%023%0.227CC..EExtended strand (participates in β ladder)trans-128.5153.6178.657.10000109.8V73 E74 V76 M332 L365 F367 I368T56-V73 CarbonylContact O-C 3.08Å; T56-V73 WeakPolarHBondContact O-CA 3.49Å; T56-E74 PolarHBondContact N-O 3.35Å; T56-E74 PolarHBondContact O-N 3.1Å; T56-E74 PolarHBondContact OG1-O 2.87Å; T56-V76 HydrophobicContact CG2-CG1 4.03Å; T56-V76 HydrophobicContact CG2-CG2 3.83Å; T56-M332 HydrophobicContact CG2-CE 4.08Å; T56-M332 HydrophobicContact CG2-SD 3.68Å; T56-L365 HydrophobicContact CG2-CD1 4.42Å; T56-L365 HydrophobicContact CG2-CD2 4.46Å; T56-F367 CarbonylContact C-O 3.6Å; T56-F367 VanDerWaalsContact CA-O 3.23Å; T56-F367 WeakPolarHBondContact CA-O 3.35Å; T56-F367 WeakPolarHBondContact CB-O 3.37Å; T56-I368 HydrophobicContact CG2-CG1 3.97Å; T56-I368 HydrophobicContact CG2-CG2 4.46Å
57L97.4Very high95Very high37 Ų3744.4 Ų44.419%0.19424%0.24CC..EExtended strand (participates in β ladder)trans-103.3133.6167.8-164.375.4000108.3E71 V73 K366 F367L57-E71 HydrophobicContact CD1-CB 3.97Å; L57-E71 WeakPolarHBondContact CD2-OE2 3.49Å; L57-E71 HydrophobicContact CG-CB 4.17Å; L57-V73 HydrophobicContact CD1-CG2 3.6Å; L57-K366 HydrophobicContact CD2-CB 4.35Å; L57-K366 PolarHBondContact O-N 3.3Å; L57-F367 HydrophobicContact CB-CB 3.77Å; L57-F367 HydrophobicContact CB-CD1 4.39Å; L57-F367 HydrophobicContact CD2-CB 4.3Å; L57-F367 PolarHBondContact N-O 3.15Å; L57-F367 PolarHBondContact O-N 3.49Å
58R95.1Very high94.7Very high2 Ų245.8 Ų45.81%0.00825%0.25CC..EExtended strand (participates in β ladder)trans-146.5158.3169.765.9175.1-1719012.9110.3R62 E71 E72 E74 E361 E364 L365R58-R62 VanDerWaalsContact NH2-NH2 3.19Å; R58-E71 CarbonylContact O-C 3.36Å; R58-E71 WeakPolarHBondContact O-CA 3.31Å; R58-E72 PolarHBondContact N-O 3.25Å; R58-E72 IonicContact NH2-OE2 3.06Å; R58-E72 PolarHBondContact O-N 3.21Å; R58-E74 IonicContact CZ-OE1 2.78Å; R58-E74 IonicContact CZ-OE2 3.86Å; R58-E74 IonicContact NE-OE1 3.45Å; R58-E74 IonicContact NE-OE2 3.38Å; R58-E74 PolarHBondContact NE-OE2 2.85Å; R58-E74 IonicContact NH2-OE1 3.46Å; R58-E74 PolarHBondContact NH2-OE1 3.42Å; R58-E74 IonicContact NH2-OE2 2.84Å; R58-E74 PolarHBondContact NH2-OE2 3.03Å; R58-E361 IonicContact CZ-OE1 3.47Å; R58-E361 IonicContact NH1-OE1 2.78Å; R58-E361 PolarHBondContact NH1-OE1 2.91Å; R58-E361 IonicContact NH2-OE1 3.85Å; R58-E364 WeakPolarHBondContact CB-O 3.38Å; R58-L365 HydrophobicContact CB-CD2 4.28Å
59E94.3Very high94.3Very high48 Ų4853.6 Ų53.622%0.22428%0.284CS..EExtended strand (participates in β ladder)trans-80.8144.3166.7-166.9168.5150.400110.5H61 K69 K366E59-H61 IonicContact OE1-CE1 3.84Å; E59-H61 PolarHBondContact OE1-CE1 3.44Å; E59-H61 VanDerWaalsContact OE1-CE1 3.29Å; E59-H61 IonicContact OE1-NE2 2.85Å; E59-K69 WeakPolarHBondContact OE1-CA 3.42Å; E59-K366 WeakPolarHBondContact OE2-CE 3.34Å; E59-K366 IonicContact OE2-NZ 2.87Å; E59-K366 PolarHBondContact OE2-NZ 2.9Å
60V92.9Very high94.1Very high0 Ų061.6 Ų61.60%031%0.314CS..  trans-103.5118.7-179.8-175.90000110.1R62 I67 S68 K69 R70 E72V60-R62 HydrophobicContact CG1-CB 4.1Å; V60-R62 HydrophobicContact CG1-CG 3.76Å; V60-I67 HydrophobicContact CB-CG2 4.45Å; V60-I67 HydrophobicContact CG1-CG2 4.2Å; V60-S68 CarbonylContact O-C 3.53Å; V60-S68 WeakPolarHBondContact O-CA 3.32Å; V60-K69 PolarHBondContact O-N 3Å; V60-R70 PolarHBondContact N-O 3.21Å; V60-R70 VanDerWaalsContact N-O 3.09Å; V60-E72 HydrophobicContact CG2-CB 3.59Å; V60-E72 VanDerWaalsContact CG2-OE2 3.28Å; V60-E72 WeakPolarHBondContact CG2-OE2 3.46Å
61H89.1Confident94Very high96 Ų9665.4 Ų65.444%0.44433%0.332SS..  trans-103.380.2175.9-62-70.7000110.4E59E59-H61 IonicContact OE1-CE1 3.84Å; E59-H61 PolarHBondContact OE1-CE1 3.44Å; E59-H61 VanDerWaalsContact OE1-CE1 3.29Å; E59-H61 IonicContact OE1-NE2 2.85Å
62R89.7Confident93.8Very high45 Ų4568 Ų6817%0.1734%0.344CS..  trans-132.491.6178.9-68-176.2-170.8140.613.9110.5R58 V60 G64 L65 S68 E361R58-R62 VanDerWaalsContact NH2-NH2 3.19Å; V60-R62 HydrophobicContact CG1-CB 4.1Å; V60-R62 HydrophobicContact CG1-CG 3.76Å; R62-G64 PolarHBondContact O-N 3.31Å; R62-L65 HydrophobicContact CB-CB 4.45Å; R62-L65 HydrophobicContact CB-CD1 3.64Å; R62-L65 HydrophobicContact CB-CG 4.05Å; R62-L65 HydrophobicContact CG-CD1 4.3Å; R62-L65 PolarHBondContact O-N 2.83Å; R62-L65 VanDerWaalsContact O-N 3.16Å; R62-S68 PolarHBondContact N-OG 3.15Å; R62-S68 VanDerWaalsContact O-CB 3.25Å; R62-S68 WeakPolarHBondContact O-CB 3.44Å; R62-S68 PolarHBondContact O-OG 2.91Å; R62-E361 IonicContact CZ-OE1 3.26Å; R62-E361 IonicContact CZ-OE2 3.94Å; R62-E361 IonicContact NE-OE1 3.98Å; R62-E361 IonicContact NE-OE2 2.57Å; R62-E361 PolarHBondContact NE-OE2 3.32Å; R62-E361 IonicContact NH2-OE1 3.29Å; R62-E361 IonicContact NH2-OE2 3.3Å; R62-E361 PolarHBondContact NH2-OE2 2.98Å
63P88.6Confident93.8Very high100 Ų10072.3 Ų72.365%0.64937%0.37SS*.THydrogen-bonded Turntrans-51.2135.4-179.1-2734000112.2
64G88.9Confident93.8Very high87 Ų8769.4 Ų69.490%0.89736%0.356SS*.THydrogen-bonded Turntrans87.6-7.2-179.400000115.6R62R62-G64 PolarHBondContact O-N 3.31Å
65L90.9Very high93.8Very high87 Ų8771.4 Ų71.446%0.45537%0.373SS..SBendtrans-91.8142.8172.2-61.9-173.2000111.6R62 I67 S68R62-L65 HydrophobicContact CB-CB 4.45Å; R62-L65 HydrophobicContact CB-CD1 3.64Å; R62-L65 HydrophobicContact CB-CG 4.05Å; R62-L65 HydrophobicContact CG-CD1 4.3Å; R62-L65 PolarHBondContact O-N 2.83Å; R62-L65 VanDerWaalsContact O-N 3.16Å; L65-I67 HydrophobicContact CB-CG2 4.19Å; L65-I67 HydrophobicContact CD1-CG2 4.45Å; L65-I67 PolarHBondContact O-N 3.45Å; L65-I67 VanDerWaalsContact O-N 3.13Å; L65-S68 WeakPolarHBondContact O-CB 3.35Å; L65-S68 PolarHBondContact O-N 3.32Å
66K92.3Very high93.8Very high200 Ų20068.1 Ų68.187%0.8736%0.358SS*.THydrogen-bonded Turntrans-56.9-27.4173.5-67.8-173.7177.7-175.50113.6
67I91.8Very high93.9Very high56 Ų5668.1 Ų68.129%0.28736%0.358SS..THydrogen-bonded Turntrans-88.5-1.2179.2-158.6159.8000113.1V60 L65 K69 R70 E72V60-I67 HydrophobicContact CB-CG2 4.45Å; V60-I67 HydrophobicContact CG1-CG2 4.2Å; L65-I67 HydrophobicContact CB-CG2 4.19Å; L65-I67 HydrophobicContact CD1-CG2 4.45Å; L65-I67 PolarHBondContact O-N 3.45Å; L65-I67 VanDerWaalsContact O-N 3.13Å; I67-K69 PolarHBondContact O-N 2.9Å; I67-R70 HydrophobicContact CG1-CB 4.28Å; I67-R70 WeakPolarHBondContact O-CB 3.36Å; I67-R70 PolarHBondContact O-N 3.07Å; I67-R70 VanDerWaalsContact O-N 3.14Å; I67-E72 HydrophobicContact CD1-CB 3.94Å; I67-E72 HydrophobicContact CD1-CG 3.81Å
68S91.9Very high93.9Very high29 Ų2966.3 Ų66.320%0.20335%0.349CS..THydrogen-bonded Turntrans-62.4139.1178.4-164.90000110.5V60 R62 L65 R70V60-S68 CarbonylContact O-C 3.53Å; V60-S68 WeakPolarHBondContact O-CA 3.32Å; R62-S68 PolarHBondContact N-OG 3.15Å; R62-S68 VanDerWaalsContact O-CB 3.25Å; R62-S68 WeakPolarHBondContact O-CB 3.44Å; R62-S68 PolarHBondContact O-OG 2.91Å; L65-S68 WeakPolarHBondContact O-CB 3.35Å; L65-S68 PolarHBondContact O-N 3.32Å; S68-R70 PolarHBondContact O-N 3.25Å
69K91.1Very high94.1Very high164 Ų16466.2 Ų66.271%0.71335%0.348SS*.THydrogen-bonded Turntrans58.523.9-175.1-52.1-179.6178.5-176.50113.6E59 V60 I67E59-K69 WeakPolarHBondContact OE1-CA 3.42Å; V60-K69 PolarHBondContact O-N 3Å; I67-K69 PolarHBondContact O-N 2.9Å
70R94.1Very high94.3Very high170 Ų17064 Ų6464%0.64234%0.337SS*.SBendtrans-120157.7171.7-61.1-174.9179.4-170.1-1.3109.6V60 I67 S68V60-R70 PolarHBondContact N-O 3.21Å; V60-R70 VanDerWaalsContact N-O 3.09Å; I67-R70 HydrophobicContact CG1-CB 4.28Å; I67-R70 WeakPolarHBondContact O-CB 3.36Å; I67-R70 PolarHBondContact O-N 3.07Å; I67-R70 VanDerWaalsContact O-N 3.14Å; S68-R70 PolarHBondContact O-N 3.25Å
71E95.8Very high94.6Very high101 Ų10164 Ų6447%0.47234%0.337SS..EExtended strand (participates in β ladder)trans-81.8133.3178.9-58.1-174.4156.800110.6L57 R58 K366L57-E71 HydrophobicContact CD1-CB 3.97Å; L57-E71 WeakPolarHBondContact CD2-OE2 3.49Å; L57-E71 HydrophobicContact CG-CB 4.17Å; R58-E71 CarbonylContact O-C 3.36Å; R58-E71 WeakPolarHBondContact O-CA 3.31Å; E71-K366 HydrophobicContact CG-CD 4.35Å; E71-K366 WeakPolarHBondContact OE1-CD 3.27Å; E71-K366 IonicContact OE1-NZ 3.79Å; E71-K366 PolarHBondContact OE1-NZ 2.63Å
72E95.7Very high95Very high55 Ų5559.4 Ų59.426%0.25732%0.317SS..EExtended strand (participates in β ladder)trans-121.2132.7177.1-169.6178.9-171.600109.2R58 V60 I67 E74R58-E72 PolarHBondContact N-O 3.25Å; R58-E72 IonicContact NH2-OE2 3.06Å; R58-E72 PolarHBondContact O-N 3.21Å; V60-E72 HydrophobicContact CG2-CB 3.59Å; V60-E72 VanDerWaalsContact CG2-OE2 3.28Å; V60-E72 WeakPolarHBondContact CG2-OE2 3.46Å; I67-E72 HydrophobicContact CD1-CB 3.94Å; I67-E72 HydrophobicContact CD1-CG 3.81Å; E72-E74 HydrophobicContact CB-CG 4.45Å; E72-E74 HydrophobicContact CG-CG 3.86Å
73V97.9Very high95.3Very high91 Ų9158.8 Ų58.855%0.55232%0.318SS*.EExtended strand (participates in β ladder)trans-87.4114.4170.7178.80000108.8H55 T56 L57H55-V73 HydrophobicContact CB-CG1 3.88Å; T56-V73 CarbonylContact O-C 3.08Å; T56-V73 WeakPolarHBondContact O-CA 3.49Å; L57-V73 HydrophobicContact CD1-CG2 3.6Å
74E97.9Very high95.8Very high10 Ų1054.1 Ų54.15%0.04729%0.288CS..EExtended strand (participates in β ladder)trans-117.1132-179.1-66.8-175.314700111H55 T56 R58 E72 F285 K334H55-E74 WeakPolarHBondContact CA-O 3.44Å; T56-E74 PolarHBondContact N-O 3.35Å; T56-E74 PolarHBondContact O-N 3.1Å; T56-E74 PolarHBondContact OG1-O 2.87Å; R58-E74 IonicContact CZ-OE1 2.78Å; R58-E74 IonicContact CZ-OE2 3.86Å; R58-E74 IonicContact NE-OE1 3.45Å; R58-E74 IonicContact NE-OE2 3.38Å; R58-E74 PolarHBondContact NE-OE2 2.85Å; R58-E74 IonicContact NH2-OE1 3.46Å; R58-E74 PolarHBondContact NH2-OE1 3.42Å; R58-E74 IonicContact NH2-OE2 2.84Å; R58-E74 PolarHBondContact NH2-OE2 3.03Å; E72-E74 HydrophobicContact CB-CG 4.45Å; E72-E74 HydrophobicContact CG-CG 3.86Å; E74-F285 HydrophobicContact CB-CE2 4.24Å; E74-F285 WeakPolarHBondContact OE2-CE2 3.28Å; E74-F285 WeakPolarHBondContact OE2-CZ 3.2Å; E74-K334 WeakPolarHBondContact OE1-CE 3.2Å; E74-K334 IonicContact OE1-NZ 3.44Å; E74-K334 PolarHBondContact OE1-NZ 3.19Å; E74-K334 IonicContact OE2-NZ 3.93Å; E74-K334 PolarHBondContact OE2-NZ 2.79Å
75A98.5Very high96.2Very high52 Ų5251.2 Ų51.243%0.4325%0.252SS..EExtended strand (participates in β ladder)trans-70.1139.6173.600000110.5M53 G335M53-A75 HydrophobicContact CE-CB 4.47Å; A75-G335 VanDerWaalsContact O-CA 3.22Å; A75-G335 WeakPolarHBondContact O-CA 3.04Å; A75-G335 PolarHBondContact O-N 3.49Å
76V98.7Very high96.6Very high0 Ų047.1 Ų47.10%023%0.23CC..EExtended strand (participates in β ladder)trans-130.8149.5179-63.70000111.1M53 T54 T56 I78 F285 M332 V333M53-V76 WeakPolarHBondContact CA-O 3.35Å; M53-V76 WeakPolarHBondContact CB-O 2.75Å; T54-V76 HydrophobicContact CG2-CG2 3.62Å; T54-V76 PolarHBondContact N-O 3.29Å; T54-V76 WeakPolarHBondContact O-CG2 3.46Å; T54-V76 PolarHBondContact O-N 3.21Å; T54-V76 VanDerWaalsContact O-O 3.09Å; T56-V76 HydrophobicContact CG2-CG1 4.03Å; T56-V76 HydrophobicContact CG2-CG2 3.83Å; V76-I78 HydrophobicContact CG2-CD1 4.37Å; V76-F285 HydrophobicContact CG1-CD2 3.6Å; V76-F285 HydrophobicContact CG1-CE2 4.03Å; V76-F285 HydrophobicContact CG1-CG 4.41Å; V76-M332 HydrophobicContact CB-CG 3.65Å; V76-M332 HydrophobicContact CB-SD 4.23Å; V76-M332 HydrophobicContact CG1-CG 3.93Å; V76-M332 HydrophobicContact CG1-SD 4.09Å; V76-M332 HydrophobicContact CG2-CE 4.37Å; V76-M332 HydrophobicContact CG2-CG 3.8Å; V76-M332 HydrophobicContact CG2-SD 3.98Å; V76-V333 CarbonylContact C-O 3.35Å; V76-V333 WeakPolarHBondContact CA-O 3.33Å
77T98.8Very high96.9Very high0 Ų037.6 Ų37.60%019%0.189CC..EExtended strand (participates in β ladder)trans-103.2133.1168.8-56.20000109.8K50 G52 M53 I79 V333 G335 V337K50-T77 HydrophobicContact CD-CG2 4.32Å; K50-T77 HydrophobicContact CG-CG2 3.93Å; G52-T77 VanDerWaalsContact O-CG2 3.29Å; G52-T77 WeakPolarHBondContact O-CG2 3.3Å; M53-T77 HydrophobicContact CG-CG2 4.15Å; T77-I79 HydrophobicContact CG2-CG1 4.22Å; T77-V333 PolarHBondContact N-O 2.91Å; T77-V333 PolarHBondContact O-N 3.42Å; T77-G335 PolarHBondContact N-O 2.85Å; T77-G335 PolarHBondContact OG1-O 3.16Å; T77-V337 HydrophobicContact CG2-CG2 3.71Å
78I98.7Very high97.2Very high0 Ų035 Ų350%018%0.175CC..EExtended strand (participates in β ladder)trans-93.6124.4172.2-52-53000109.4A51 G52 V76 I314 F320 V326 F330 M332A51-I78 HydrophobicContact CB-CB 4.49Å; A51-I78 HydrophobicContact CB-CG2 4.37Å; A51-I78 PolarHBondContact N-O 2.95Å; G52-I78 PolarHBondContact N-O 2.89Å; G52-I78 PolarHBondContact O-N 2.92Å; V76-I78 HydrophobicContact CG2-CD1 4.37Å; I78-I314 HydrophobicContact CD1-CD1 3.79Å; I78-I314 HydrophobicContact CD1-CG1 3.81Å; I78-I314 HydrophobicContact CG1-CD1 4.21Å; I78-I314 HydrophobicContact CG1-CG1 3.89Å; I78-I314 HydrophobicContact CG2-CG1 4.11Å; I78-F320 HydrophobicContact CB-CE2 4.45Å; I78-F320 HydrophobicContact CB-CZ 4.12Å; I78-F320 HydrophobicContact CG1-CE2 4.45Å; I78-F320 HydrophobicContact CG1-CZ 3.79Å; I78-F320 HydrophobicContact CG2-CE2 4.45Å; I78-V326 HydrophobicContact CG2-CG2 4.49Å; I78-F330 HydrophobicContact CD1-CD2 4.44Å; I78-F330 HydrophobicContact CD1-CE2 4.45Å; I78-F330 HydrophobicContact CG2-CB 4.08Å; I78-F330 HydrophobicContact CG2-CD2 3.91Å; I78-F330 HydrophobicContact CG2-CG 4.12Å; I78-M332 HydrophobicContact CD1-CB 3.94Å; I78-M332 HydrophobicContact CD1-CE 3.79Å; I78-M332 HydrophobicContact CD1-CG 3.75Å
79I98.8Very high97.5Very high0 Ų033.6 Ų33.60%017%0.166CC..EExtended strand (participates in β ladder)trans-118.6109.4177.9-54.5178.2000107.3Y49 T77 T81 F330 V331 V333 L345 L347Y49-I79 CarbonylContact O-C 3.6Å; Y49-I79 WeakPolarHBondContact O-CA 3.43Å; T77-I79 HydrophobicContact CG2-CG1 4.22Å; I79-T81 HydrophobicContact CG2-CG2 4.25Å; I79-F330 CarbonylContact O-C 3.5Å; I79-F330 VanDerWaalsContact O-CA 3.25Å; I79-F330 WeakPolarHBondContact O-CA 3.36Å; I79-F330 WeakPolarHBondContact O-CB 3.33Å; I79-V331 PolarHBondContact N-O 2.87Å; I79-V331 PolarHBondContact O-N 2.9Å; I79-V333 HydrophobicContact CD1-CG2 3.93Å; I79-L345 HydrophobicContact CD1-CD1 3.84Å; I79-L345 HydrophobicContact CG1-CD1 4.26Å; I79-L347 HydrophobicContact CD1-CD2 3.89Å
80E98.6Very high97.8Very high0 Ų025.9 Ų25.90%013%0.132CC..EExtended strand (participates in β ladder)trans-73.7130.4175.9-171.8171.6-158.800109.7G48 Y49 L171 Y323 V326 N327 N328G48-E80 CarbonylContact C-O 3.45Å; G48-E80 WeakPolarHBondContact CA-O 3.32Å; Y49-E80 PolarHBondContact N-O 3.45Å; Y49-E80 PolarHBondContact O-N 3.39Å; E80-L171 HydrophobicContact CB-CD2 4.39Å; E80-L171 HydrophobicContact CG-CD2 3.84Å; E80-L171 WeakPolarHBondContact OE2-CD2 3.48Å; E80-Y323 WeakPolarHBondContact OE2-CE1 3.47Å; E80-Y323 VanDerWaalsContact OE2-CZ 3.23Å; E80-Y323 PolarHBondContact OE2-OH 3.3Å; E80-V326 HydrophobicContact CB-CG1 4.13Å; E80-V326 HydrophobicContact CG-CG1 3.96Å; E80-N327 PolarHBondContact OE1-N 2.86Å; E80-N327 VanDerWaalsContact OE1-N 3.15Å; E80-N328 HydrophobicContact CG-CB 3.96Å; E80-N328 PolarHBondContact OE1-N 2.83Å; E80-N328 VanDerWaalsContact OE1-N 3.11Å; E80-N328 PolarHBondContact OE1-ND2 3.19Å
81T98.2Very high98Very high0 Ų017.8 Ų17.80%010%0.102CC..  trans-130.773.9-170.145.80000109F46 I79 I207 D329 F330 V331 L347F46-T81 HydrophobicContact CD1-CG2 4.1Å; F46-T81 HydrophobicContact CE1-CG2 4.14Å; I79-T81 HydrophobicContact CG2-CG2 4.25Å; T81-I207 HydrophobicContact CG2-CD1 4.06Å; T81-I207 HydrophobicContact CG2-CG1 4.29Å; T81-D329 CarbonylContact C-O 3.58Å; T81-D329 WeakPolarHBondContact CA-O 3.17Å; T81-D329 PolarHBondContact N-O 2.75Å; T81-D329 PolarHBondContact OG1-O 3.47Å; T81-D329 VanDerWaalsContact OG1-O 3.05Å; T81-F330 WeakPolarHBondContact OG1-CA 3.17Å; T81-V331 HydrophobicContact CG2-CG2 4.01Å; T81-L347 HydrophobicContact CG2-CD1 4.16Å
82P97.5Very high98.2Very high1 Ų114 Ų141%0.0068%0.083CC..PPolyproline II helixtrans-58.1151.2170.128.4-35000109.2V84 L170 L171 N328P82-V84 PolarHBondContact O-N 2.95Å; P82-L170 HydrophobicContact CB-CB 4.27Å; P82-L170 HydrophobicContact CB-CD1 4.06Å; P82-L171 HydrophobicContact CG-CD1 4.24Å; P82-L171 HydrophobicContact CG-CD2 3.93Å; P82-L171 HydrophobicContact CG-CG 4.1Å; P82-N328 HydrophobicContact CB-CB 4.27Å
83P97.8Very high98.3Very high32 Ų3213.2 Ų13.221%0.2088%0.08CC..PPolyproline II helixtrans-51.1143.2177.2-25.934.4000111.9Q167 A204 V205P83-Q167 PolarHBondContact O-OE1 3.15Å; P83-A204 HydrophobicContact CB-CB 3.99Å; P83-V205 WeakPolarHBondContact CA-O 3.33Å
84V98Very high98.2Very high2 Ų215.2 Ų15.21%0.0128%0.083CC..EExtended strand (participates in β ladder)trans-97137.8173.2-63.30000109.1F46 L47 P82 V164 H165 V205F46-V84 HydrophobicContact CD1-CG1 4.33Å; F46-V84 HydrophobicContact CD2-CG1 4.38Å; F46-V84 HydrophobicContact CD2-CG2 4.01Å; F46-V84 HydrophobicContact CE1-CG1 3.89Å; F46-V84 HydrophobicContact CE2-CB 4.3Å; F46-V84 HydrophobicContact CE2-CG1 3.98Å; F46-V84 HydrophobicContact CE2-CG2 3.56Å; F46-V84 HydrophobicContact CZ-CB 4.33Å; F46-V84 HydrophobicContact CZ-CG1 3.71Å; F46-V84 HydrophobicContact CZ-CG2 4.07Å; L47-V84 HydrophobicContact CB-CG1 4.43Å; P82-V84 PolarHBondContact O-N 2.95Å; V84-V164 HydrophobicContact CB-CB 4.14Å; V84-V164 HydrophobicContact CB-CG2 4.3Å; V84-V164 HydrophobicContact CG2-CB 4.12Å; V84-V164 HydrophobicContact CG2-CG1 4.38Å; V84-V164 HydrophobicContact CG2-CG2 4.31Å; V84-H165 CarbonylContact C-O 3.49Å; V84-H165 WeakPolarHBondContact CA-O 3.17Å; V84-V205 HydrophobicContact CG2-CB 4.13Å; V84-V205 PolarHBondContact N-O 3.34Å; V84-V205 PolarHBondContact O-N 3.16Å
85I98.4Very high98.2Very high26 Ų2616.7 Ų16.713%0.1339%0.093CC..EExtended strand (participates in β ladder)trans-95.3128.6176.6-59.8171.9000108.3V87 V164 H165 Q167I85-V87 HydrophobicContact CG2-CG1 3.88Å; I85-V164 CarbonylContact O-C 3.53Å; I85-V164 VanDerWaalsContact O-CA 3.26Å; I85-V164 WeakPolarHBondContact O-CA 3.2Å; I85-H165 PolarHBondContact N-O 2.87Å; I85-H165 PolarHBondContact O-N 2.73Å; I85-Q167 HydrophobicContact CD1-CG 3.8Å; I85-Q167 HydrophobicContact CG1-CG 4.08Å
86V98.2Very high98.1Very high0 Ų021.6 Ų21.60%012%0.118CC..EExtended strand (participates in β ladder)trans-79.4126.1172.9-179.70000108.4V162 V164 H200 L201 E202 K203 V205V86-V162 HydrophobicContact CG1-CB 3.99Å; V86-V162 HydrophobicContact CG1-CG1 4.17Å; V86-V164 HydrophobicContact CG2-CG1 4.02Å; V86-H200 VanDerWaalsContact CB-O 3.27Å; V86-H200 WeakPolarHBondContact CB-O 3.47Å; V86-L201 HydrophobicContact CG1-CD2 4.27Å; V86-E202 WeakPolarHBondContact O-CA 3.48Å; V86-E202 PolarHBondContact O-N 2.8Å; V86-K203 PolarHBondContact N-O 3.1Å; V86-V205 HydrophobicContact CG2-CG2 3.84Å
87V97.9Very high98Very high1 Ų133.1 Ų33.11%0.00616%0.161CC..EExtended strand (participates in β ladder)trans-130.62.8-172.2-72.30000114I85 F106 A107 L110 I163 H165I85-V87 HydrophobicContact CG2-CG1 3.88Å; V87-F106 WeakPolarHBondContact O-CA 3.43Å; V87-F106 WeakPolarHBondContact O-CD1 3.5Å; V87-A107 PolarHBondContact O-N 3.44Å; V87-L110 HydrophobicContact CB-CD2 3.54Å; V87-L110 HydrophobicContact CG1-CD2 3.76Å; V87-L110 HydrophobicContact CG2-CD2 4.47Å; V87-I163 HydrophobicContact CG2-CB 4.33Å; V87-I163 HydrophobicContact CG2-CG2 3.88Å; V87-I163 WeakPolarHBondContact CG2-O 3.48Å; V87-I163 PolarHBondContact N-O 2.97Å; V87-H165 WeakPolarHBondContact CG1-CD2 3.46Å
88G97.9Very high97.8Very high0 Ų034.5 Ų34.50%018%0.175CC..EExtended strand (participates in β ladder)trans-179.4175.1175.100000113.5I105 V162 I163G88-I105 CarbonylContact C-O 3.55Å; G88-I105 WeakPolarHBondContact CA-O 3.35Å; G88-V162 CarbonylContact O-C 3.56Å; G88-V162 VanDerWaalsContact O-CA 3.3Å; G88-V162 WeakPolarHBondContact O-CA 3.39Å; G88-I163 PolarHBondContact N-O 2.8Å; G88-I163 PolarHBondContact O-N 2.87Å
89I98.4Very high97.7Very high0 Ų038.2 Ų38.20%020%0.195CC..EExtended strand (participates in β ladder)trans-133.2135.2-175.5-45.5176.4000107T104 I105 L150 M153 I160 R161 A197 K198 L201I89-T104 CarbonylContact O-C 3.29Å; I89-T104 VanDerWaalsContact O-CA 3.27Å; I89-T104 WeakPolarHBondContact O-CA 3.39Å; I89-I105 PolarHBondContact N-O 3.04Å; I89-I105 PolarHBondContact O-N 2.96Å; I89-L150 HydrophobicContact CD1-CD2 4.26Å; I89-M153 HydrophobicContact CG2-SD 3.97Å; I89-I160 HydrophobicContact CG2-CG2 3.77Å; I89-R161 CarbonylContact C-O 3.53Å; I89-R161 WeakPolarHBondContact CA-O 3.08Å; I89-A197 HydrophobicContact CD1-CB 3.64Å; I89-A197 HydrophobicContact CG1-CB 3.86Å; I89-A197 HydrophobicContact CG2-CB 4.09Å; I89-K198 HydrophobicContact CD1-CB 4.46Å; I89-L201 HydrophobicContact CD1-CD1 4.41Å; I89-L201 HydrophobicContact CD1-CD2 4.44Å; I89-L201 HydrophobicContact CD1-CG 4.49Å; I89-L201 HydrophobicContact CG1-CD2 4.05Å
90V98.6Very high97.7Very high3 Ų344.6 Ų44.62%0.01822%0.219CC..EExtended strand (participates in β ladder)trans-123.9119.9175.1-173.50000107.9Y92 T101 T104 R161 I163 E182V90-Y92 HydrophobicContact CB-CE2 4.03Å; V90-Y92 HydrophobicContact CG1-CD2 4.06Å; V90-Y92 HydrophobicContact CG1-CE2 3.45Å; V90-Y92 VanDerWaalsContact CG1-CE2 3.45Å; V90-T101 HydrophobicContact CG1-CG2 4.05Å; V90-T104 HydrophobicContact CG2-CG2 3.93Å; V90-R161 PolarHBondContact N-O 3.09Å; V90-R161 PolarHBondContact O-N 2.97Å; V90-I163 HydrophobicContact CG2-CD1 3.64Å; V90-I163 HydrophobicContact CG2-CG1 3.65Å; V90-E182 HydrophobicContact CG2-CG 4.43Å
91G98.4Very high97.6Very high0 Ų048.1 Ų48.10%024%0.24CC..EExtended strand (participates in β ladder)trans-92132172.400000111L102 K103 C157G91-L102 PolarHBondContact O-N 2.89Å; G91-K103 PolarHBondContact N-O 2.9Å; G91-C157 VanDerWaalsContact C-SG 3.51Å; G91-C157 WeakPolarHBondContact CA-SG 3.41Å
92Y98.5Very high97.6Very high21 Ų2150.3 Ų50.38%0.08225%0.252CS..EExtended strand (participates in β ladder)trans-113.5131.8174.1-71.7-93000110.7V90 L99 R100 T101 C157 S158 V159 R161 E182V90-Y92 HydrophobicContact CB-CE2 4.03Å; V90-Y92 HydrophobicContact CG1-CD2 4.06Å; V90-Y92 HydrophobicContact CG1-CE2 3.45Å; V90-Y92 VanDerWaalsContact CG1-CE2 3.45Å; Y92-L99 HydrophobicContact CD1-CB 4.13Å; Y92-R100 WeakPolarHBondContact CA-O 3.27Å; Y92-T101 HydrophobicContact CD1-CG2 4.01Å; Y92-T101 HydrophobicContact CE1-CG2 3.31Å; Y92-C157 CarbonylContact O-C 3.5Å; Y92-C157 VanDerWaalsContact O-CA 3.26Å; Y92-C157 WeakPolarHBondContact O-CA 3.02Å; Y92-C157 WeakPolarHBondContact O-CB 3.35Å; Y92-S158 PolarHBondContact O-N 3.21Å; Y92-S158 PolarHBondContact O-OG 3.3Å; Y92-V159 PolarHBondContact N-O 3.3Å; Y92-V159 PolarHBondContact O-N 3.45Å; Y92-R161 HydrophobicContact CD2-CG 4.09Å; Y92-R161 HydrophobicContact CE2-CB 4.31Å; Y92-R161 HydrophobicContact CE2-CG 3.83Å; Y92-R161 PolarHBondContact OH-NH1 3.17Å; Y92-E182 VanDerWaalsContact OH-CD 3.3Å; Y92-E182 PolarHBondContact OH-OE1 3.31Å; Y92-E182 PolarHBondContact OH-OE2 2.99Å
93I97.9Very high97.6Very high38 Ų3854 Ų5420%0.19527%0.268CS..EExtended strand (participates in β ladder)trans-99.9139.5171.6-174.9166.7000109.8T95 L99 R100 L102 Y156I93-T95 HydrophobicContact CG2-CG2 4.14Å; I93-L99 WeakPolarHBondContact O-CA 3.19Å; I93-R100 HydrophobicContact CG2-CB 4.25Å; I93-R100 PolarHBondContact N-O 2.9Å; I93-R100 PolarHBondContact O-N 2.96Å; I93-L102 HydrophobicContact CB-CB 4.46Å; I93-L102 HydrophobicContact CG2-CB 4.22Å; I93-L102 HydrophobicContact CG2-CD1 4.35Å; I93-Y156 WeakPolarHBondContact CG1-O 3.46Å
94H96.8Very high97.6Very high133 Ų13355.4 Ų55.462%0.61628%0.275SS*.EExtended strand (participates in β ladder)trans-78.1124.7171.7-169.2-95.2000109.9L99 S158H94-L99 HydrophobicContact CB-CD2 4.3Å; H94-S158 PolarHBondContact N-OG 2.95Å
95T96.8Very high97.6Very high41 Ų4155.3 Ų55.325%0.25228%0.275SS..EExtended strand (participates in β ladder)trans-124.5166.8175.473.40000109.1I93 R97 G98 R100I93-T95 HydrophobicContact CG2-CG2 4.14Å; T95-R97 PolarHBondContact O-N 2.95Å; T95-R97 VanDerWaalsContact O-N 3.08Å; T95-R97 PolarHBondContact OG1-N 3.45Å; T95-G98 WeakPolarHBondContact CB-O 3.45Å; T95-G98 PolarHBondContact N-O 3.46Å; T95-G98 WeakPolarHBondContact O-CA 3.34Å; T95-G98 PolarHBondContact O-N 2.84Å; T95-G98 PolarHBondContact OG1-O 3.01Å; T95-R100 HydrophobicContact CG2-CB 4.16Å
96V97.1Very high97.6Very high155 Ų15555.6 Ų55.694%0.93928%0.276SS*.THydrogen-bonded Turntrans-57.6-23.4175.4-61.40000113.6
97R96.1Very high97.5Very high243 Ų24355.7 Ų55.792%0.91728%0.276SS*.THydrogen-bonded Turntrans-93.87.8176-60.5-175.8-179177.50.1113.4T95T95-R97 PolarHBondContact O-N 2.95Å; T95-R97 VanDerWaalsContact O-N 3.08Å; T95-R97 PolarHBondContact OG1-N 3.45Å
98G95.8Very high97.4Very high28 Ų2857.8 Ų57.829%0.28929%0.286SS..EExtended strand (participates in β ladder)trans103-163.7-176.400000113.8T95 R100T95-G98 WeakPolarHBondContact CB-O 3.45Å; T95-G98 PolarHBondContact N-O 3.46Å; T95-G98 WeakPolarHBondContact O-CA 3.34Å; T95-G98 PolarHBondContact O-N 2.84Å; T95-G98 PolarHBondContact OG1-O 3.01Å; G98-R100 PolarHBondContact O-N 3.32Å
99L96.7Very high97.3Very high79 Ų7963 Ų6341%0.41431%0.31SS..EExtended strand (participates in β ladder)trans-74.5124.1-177.7-67173.2000111.6Y92 I93 H94 V159Y92-L99 HydrophobicContact CD1-CB 4.13Å; I93-L99 WeakPolarHBondContact O-CA 3.19Å; H94-L99 HydrophobicContact CB-CD2 4.3Å; L99-V159 HydrophobicContact CD1-CG2 4.32Å; L99-V159 HydrophobicContact CD2-CG2 4.27Å
100R97.2Very high97.2Very high133 Ų13364 Ų6450%0.50232%0.315SS..EExtended strand (participates in β ladder)trans-113.3140.9173.7-17417764.485.9-5.2110Y92 I93 T95 G98 L102Y92-R100 WeakPolarHBondContact CA-O 3.27Å; I93-R100 HydrophobicContact CG2-CB 4.25Å; I93-R100 PolarHBondContact N-O 2.9Å; I93-R100 PolarHBondContact O-N 2.96Å; T95-R100 HydrophobicContact CG2-CB 4.16Å; G98-R100 PolarHBondContact O-N 3.32Å; R100-L102 PolarHBondContact O-N 3.44Å
101T97.9Very high97.1Very high74 Ų7465.6 Ų65.645%0.45433%0.327SS..EExtended strand (participates in β ladder)trans-65.7121.6171.750.10000109.4V90 Y92V90-T101 HydrophobicContact CG1-CG2 4.05Å; Y92-T101 HydrophobicContact CD1-CG2 4.01Å; Y92-T101 HydrophobicContact CE1-CG2 3.31Å
102L97.1Very high97Very high46 Ų4668.8 Ų68.824%0.24134%0.344CS..EExtended strand (participates in β ladder)trans-87.4-58.4176.6-175.266.4000110.6G91 I93 R100 C157G91-L102 PolarHBondContact O-N 2.89Å; I93-L102 HydrophobicContact CB-CB 4.46Å; I93-L102 HydrophobicContact CG2-CB 4.22Å; I93-L102 HydrophobicContact CG2-CD1 4.35Å; R100-L102 PolarHBondContact O-N 3.44Å; L102-C157 VanDerWaalsContact CD2-SG 3.56Å
103K97.6Very high96.9Very high80 Ų8068.3 Ų68.335%0.34834%0.342SS..EExtended strand (participates in β ladder)trans-143.4155.9-179.7-75-67.2-174.6158.70110.7G91 D149 M153G91-K103 PolarHBondContact N-O 2.9Å; K103-D149 VanDerWaalsContact CE-OD1 3.31Å; K103-D149 WeakPolarHBondContact CE-OD1 3.07Å; K103-D149 IonicContact NZ-OD1 3.64Å; K103-D149 PolarHBondContact NZ-OD1 3.15Å; K103-D149 VanDerWaalsContact NZ-OD1 3.15Å; K103-M153 HydrophobicContact CB-CE 3.5Å; K103-M153 HydrophobicContact CB-CG 4.4Å; K103-M153 WeakPolarHBondContact O-CE 3.45Å
104T97.9Very high96.8Very high60 Ų6066.5 Ų66.537%0.36833%0.333SS..EExtended strand (participates in β ladder)trans-131.4127.5171.5-57.80000108.4I89 V90 F106 I163I89-T104 CarbonylContact O-C 3.29Å; I89-T104 VanDerWaalsContact O-CA 3.27Å; I89-T104 WeakPolarHBondContact O-CA 3.39Å; V90-T104 HydrophobicContact CG2-CG2 3.93Å; T104-F106 HydrophobicContact CG2-CD2 3.88Å; T104-F106 HydrophobicContact CG2-CE2 3.47Å; T104-F106 VanDerWaalsContact CG2-CE2 3.47Å; T104-F106 HydrophobicContact CG2-CZ 4.15Å; T104-I163 HydrophobicContact CG2-CD1 3.85Å
105I98Very high96.8Very high1 Ų162 Ų621%0.00531%0.31CS..EExtended strand (participates in β ladder)trans-115.3126176.4-64.9168.5000106.9G88 I89 Y133 W137 L146 D149 L150 M153G88-I105 CarbonylContact C-O 3.55Å; G88-I105 WeakPolarHBondContact CA-O 3.35Å; I89-I105 PolarHBondContact N-O 3.04Å; I89-I105 PolarHBondContact O-N 2.96Å; I105-Y133 WeakPolarHBondContact CA-OH 3.42Å; I105-W137 HydrophobicContact CG2-CZ2 3.92Å; I105-L146 HydrophobicContact CG2-CD2 4.04Å; I105-D149 HydrophobicContact CD1-CB 3.89Å; I105-D149 HydrophobicContact CG1-CB 4.22Å; I105-L150 HydrophobicContact CD1-CB 4.47Å; I105-L150 HydrophobicContact CD1-CD2 3.49Å; I105-L150 VanDerWaalsContact CD1-CD2 3.49Å; I105-L150 HydrophobicContact CD1-CG 3.64Å; I105-M153 HydrophobicContact CB-CE 4.29Å; I105-M153 HydrophobicContact CD1-CE 3.57Å; I105-M153 HydrophobicContact CD1-SD 4.04Å; I105-M153 HydrophobicContact CG1-CE 3.62Å
106F97.9Very high96.8Very high32 Ų3263.2 Ų63.214%0.1431%0.31CS..EExtended strand (participates in β ladder)trans-97.1159.4170.9-77.3-92.1000110.7V87 T104 L110 F118 F130 Y133 W137 I163V87-F106 WeakPolarHBondContact O-CA 3.43Å; V87-F106 WeakPolarHBondContact O-CD1 3.5Å; T104-F106 HydrophobicContact CG2-CD2 3.88Å; T104-F106 HydrophobicContact CG2-CE2 3.47Å; T104-F106 VanDerWaalsContact CG2-CE2 3.47Å; T104-F106 HydrophobicContact CG2-CZ 4.15Å; F106-L110 HydrophobicContact CD1-CD1 4.34Å; F106-F118 HydrophobicContact CE1-CZ 4.35Å; F106-F130 HydrophobicContact CB-CD1 4.23Å; F106-F130 HydrophobicContact CB-CE1 3.88Å; F106-F130 AromaticContact CD1-CE1 3.79Å; F106-F130 HydrophobicContact CD1-CE1 3.79Å; F106-F130 AromaticContact CD1-CZ 3.94Å; F106-F130 HydrophobicContact CD1-CZ 3.94Å; F106-F130 AromaticContact CD2-CE1 3.45Å; F106-F130 HydrophobicContact CD2-CE1 3.45Å; F106-F130 VanDerWaalsContact CD2-CE1 3.45Å; F106-F130 AromaticContact CD2-CZ 3.98Å; F106-F130 HydrophobicContact CD2-CZ 3.98Å; F106-F130 HydrophobicContact CE1-CE1 4.15Å; F106-F130 AromaticContact CE1-CZ 3.86Å; F106-F130 HydrophobicContact CE1-CZ 3.86Å; F106-F130 AromaticContact CE2-CE1 3.82Å; F106-F130 HydrophobicContact CE2-CE1 3.82Å; F106-F130 AromaticContact CE2-CZ 3.88Å; F106-F130 HydrophobicContact CE2-CZ 3.88Å; F106-F130 HydrophobicContact CG-CD1 4.23Å; F106-F130 AromaticContact CG-CE1 3.41Å; F106-F130 HydrophobicContact CG-CE1 3.41Å; F106-F130 VanDerWaalsContact CG-CE1 3.41Å; F106-F130 AromaticContact CG-CZ 4Å; F106-F130 HydrophobicContact CG-CZ 4Å; F106-F130 HydrophobicContact CZ-CE1 4.16Å; F106-F130 AromaticContact CZ-CZ 3.83Å; F106-F130 HydrophobicContact CZ-CZ 3.83Å; F106-Y133 HydrophobicContact CB-CD1 4.17Å; F106-Y133 HydrophobicContact CB-CE1 3.7Å; F106-Y133 PolarHBondContact N-OH 3.01Å; F106-Y133 VanDerWaalsContact O-CE1 3.24Å; F106-Y133 WeakPolarHBondContact O-CE1 3.5Å; F106-Y133 PolarHBondContact O-OH 3.19Å; F106-W137 VanDerWaalsContact O-CZ2 3.32Å; F106-W137 WeakPolarHBondContact O-CZ2 3.35Å; F106-W137 PolarHBondContact O-NE1 3.34Å; F106-I163 HydrophobicContact CE1-CD1 3.76Å; F106-I163 HydrophobicContact CE2-CD1 4.31Å; F106-I163 HydrophobicContact CZ-CD1 3.64Å
107A96.7Very high96.8Very high2 Ų259.5 Ų59.52%0.01728%0.28CS..  trans-66.1167.5169.600000112.1V87 L110 L201 E202V87-A107 PolarHBondContact O-N 3.44Å; A107-L110 HydrophobicContact CB-CD2 4.37Å; A107-L201 HydrophobicContact CB-CB 4.35Å; A107-L201 HydrophobicContact CB-CD2 4.24Å; A107-E202 HydrophobicContact CB-CG 3.53Å; A107-E202 WeakPolarHBondContact CB-OE1 3.38Å
108E95.9Very high96.9Very high44 Ų4452.2 Ų52.221%0.20626%0.255CS..SBendtrans-72.8-53178.3-178.6174.1172.600110.4S134 W137 Q138 E202E108-S134 WeakPolarHBondContact O-CB 3.41Å; E108-W137 HydrophobicContact CB-CB 3.83Å; E108-W137 HydrophobicContact CB-CD2 4.29Å; E108-W137 HydrophobicContact CB-CG 3.72Å; E108-W137 HydrophobicContact CG-CB 3.73Å; E108-W137 HydrophobicContact CG-CG 4.15Å; E108-Q138 VanDerWaalsContact OE1-CG 3.32Å; E108-Q138 WeakPolarHBondContact OE1-CG 3.23Å; E108-Q138 PolarHBondContact OE1-NE2 3.01Å; E108-E202 WeakPolarHBondContact CA-OE1 3.41Å; E108-E202 PolarHBondContact N-OE1 2.99Å
109H96Very high97Very high109 Ų10953.3 Ų53.351%0.50525%0.25SS..  trans-101.3104.3-175.3-55.9-56.4000111.1E202H109-E202 IonicContact CD2-OE1 3.63Å; H109-E202 IonicContact CD2-OE2 2.98Å; H109-E202 PolarHBondContact CD2-OE2 3.05Å; H109-E202 IonicContact CG-OE2 2.75Å; H109-E202 PolarHBondContact N-OE1 3.2Å
110L96.1Very high96.9Very high21 Ų2159.9 Ų59.911%0.1128%0.276CS..  trans-97.3124.3172.6-62.8-177000111.2V87 F106 A107 R115 F130V87-L110 HydrophobicContact CB-CD2 3.54Å; V87-L110 HydrophobicContact CG1-CD2 3.76Å; V87-L110 HydrophobicContact CG2-CD2 4.47Å; F106-L110 HydrophobicContact CD1-CD1 4.34Å; A107-L110 HydrophobicContact CB-CD2 4.37Å; L110-R115 HydrophobicContact CB-CG 3.93Å; L110-R115 VanDerWaalsContact O-CD 3.29Å; L110-R115 WeakPolarHBondContact O-CD 3.41Å; L110-F130 HydrophobicContact CD1-CB 3.8Å; L110-F130 HydrophobicContact CD1-CD1 3.66Å; L110-F130 HydrophobicContact CD1-CD2 3.43Å; L110-F130 VanDerWaalsContact CD1-CD2 3.43Å; L110-F130 HydrophobicContact CD1-CE1 4.06Å; L110-F130 HydrophobicContact CD1-CE2 3.85Å; L110-F130 HydrophobicContact CD1-CG 3.33Å; L110-F130 HydrophobicContact CD1-CZ 4.14Å
111S95.9Very high96.9Very high38 Ų3857.6 Ų57.627%0.26627%0.273SS..  trans-56.9147.8174.171.20000112.4E113 C114 R115 H165S111-E113 PolarHBondContact O-N 3.36Å; S111-E113 WeakPolarHBondContact OG-CG 3.41Å; S111-C114 WeakPolarHBondContact O-CA 3.34Å; S111-C114 WeakPolarHBondContact O-CB 3.43Å; S111-C114 PolarHBondContact O-N 3.25Å; S111-C114 WeakPolarHBondContact OG-CB 3.22Å; S111-C114 PolarHBondContact OG-N 3.37Å; S111-R115 WeakPolarHBondContact O-CG 3.49Å; S111-R115 PolarHBondContact O-N 2.83Å; S111-H165 PolarHBondContact OG-CE1 3.47Å; S111-H165 PolarHBondContact OG-NE2 3.41Å; S111-H165 VanDerWaalsContact OG-NE2 3.08Å
112D96.1Very high96.8Very high66 Ų6655.6 Ų55.635%0.35326%0.258SS..Hα-helixtrans-60.4-31.2179.1-93-5.1000113.6C114 R115 R116 W122D112-C114 VanDerWaalsContact C-N 3.34Å; D112-R115 PolarHBondContact O-N 3.3Å; D112-R115 IonicContact OD1-NH1 2.64Å; D112-R115 PolarHBondContact OD1-NH1 3.25Å; D112-R115 VanDerWaalsContact OD1-NH1 3.1Å; D112-R116 WeakPolarHBondContact O-CB 3.41Å; D112-R116 VanDerWaalsContact O-CG 3.23Å; D112-R116 WeakPolarHBondContact O-CG 3.11Å; D112-R116 PolarHBondContact O-N 3.39Å; D112-W122 HydrophobicContact CB-CH2 4.28Å; D112-W122 HydrophobicContact CB-CZ2 4.1Å
113E96.3Very high96.8Very high11 Ų1157 Ų575%0.05128%0.276CS..Hα-helixtrans-68.5-33.6175.359.1174.3-175.700112.8S111 R116 H165 Q167 M168 R169 K176 A178S111-E113 PolarHBondContact O-N 3.36Å; S111-E113 WeakPolarHBondContact OG-CG 3.41Å; E113-R116 WeakPolarHBondContact O-CB 3.29Å; E113-H165 IonicContact OE1-CE1 2.96Å; E113-H165 PolarHBondContact OE1-CE1 3.2Å; E113-H165 IonicContact OE1-ND1 3.44Å; E113-Q167 VanDerWaalsContact OE1-CA 3.28Å; E113-Q167 WeakPolarHBondContact OE1-CA 3.34Å; E113-M168 PolarHBondContact OE2-N 2.84Å; E113-R169 PolarHBondContact OE2-N 3.09Å; E113-K176 WeakPolarHBondContact CB-O 3.4Å; E113-A178 HydrophobicContact CB-CB 4.07Å; E113-A178 HydrophobicContact CG-CB 4.09Å; E113-A178 VanDerWaalsContact O-CB 3.24Å; E113-A178 WeakPolarHBondContact O-CB 3.44Å; E113-A178 PolarHBondContact O-N 2.65Å
114C96.9Very high96.7Very high0 Ų062 Ų620%030%0.297CS..Hα-helixtrans-68.8-48.1170.1-174.80000110.3S111 D112 R116 R117S111-C114 WeakPolarHBondContact O-CA 3.34Å; S111-C114 WeakPolarHBondContact O-CB 3.43Å; S111-C114 PolarHBondContact O-N 3.25Å; S111-C114 WeakPolarHBondContact OG-CB 3.22Å; S111-C114 PolarHBondContact OG-N 3.37Å; D112-C114 VanDerWaalsContact C-N 3.34Å; C114-R116 PolarHBondContact O-N 2.78Å; C114-R117 WeakPolarHBondContact O-CA 3.49Å; C114-R117 WeakPolarHBondContact O-CB 3.42Å; C114-R117 PolarHBondContact O-N 2.88Å
115R96.9Very high96.7Very high38 Ų3860 Ų6014%0.14329%0.286CS..Hα-helixtrans-58.3-36.3177.9-65.217474.1-148.911.9112.1L110 S111 D112 R117 F118 Y119 W122 K127 A129L110-R115 HydrophobicContact CB-CG 3.93Å; L110-R115 VanDerWaalsContact O-CD 3.29Å; L110-R115 WeakPolarHBondContact O-CD 3.41Å; S111-R115 WeakPolarHBondContact O-CG 3.49Å; S111-R115 PolarHBondContact O-N 2.83Å; D112-R115 PolarHBondContact O-N 3.3Å; D112-R115 IonicContact OD1-NH1 2.64Å; D112-R115 PolarHBondContact OD1-NH1 3.25Å; D112-R115 VanDerWaalsContact OD1-NH1 3.1Å; R115-R117 PolarHBondContact O-N 3.1Å; R115-R117 VanDerWaalsContact O-N 3.12Å; R115-F118 PolarHBondContact O-N 3.35Å; R115-Y119 WeakPolarHBondContact O-CD2 3.49Å; R115-W122 HydrophobicContact CB-CH2 3.77Å; R115-W122 HydrophobicContact CB-CZ3 3.69Å; R115-K127 PolarHBondContact NH2-O 3.01Å; R115-A129 PolarHBondContact NE-O 2.79Å; R115-A129 VanDerWaalsContact NE-O 3.12Å; R115-A129 PolarHBondContact NH2-O 2.85Å
116R97.6Very high96.6Very high67 Ų6768.5 Ų68.525%0.25332%0.323SS..G310 helixtrans-54.9-27.8171.4-80.5170.7-176.9-93.54113.2D112 E113 C114 F118 Y119 W122 K176 K177D112-R116 WeakPolarHBondContact O-CB 3.41Å; D112-R116 VanDerWaalsContact O-CG 3.23Å; D112-R116 WeakPolarHBondContact O-CG 3.11Å; D112-R116 PolarHBondContact O-N 3.39Å; E113-R116 WeakPolarHBondContact O-CB 3.29Å; C114-R116 PolarHBondContact O-N 2.78Å; R116-F118 PolarHBondContact O-N 2.91Å; R116-Y119 PolarHBondContact O-N 2.73Å; R116-Y119 VanDerWaalsContact O-O 3.09Å; R116-W122 HydrophobicContact CB-CD2 4.42Å; R116-W122 HydrophobicContact CB-CE3 4.09Å; R116-W122 HydrophobicContact CB-CZ3 4.46Å; R116-W122 HydrophobicContact CG-CB 4.16Å; R116-W122 HydrophobicContact CG-CD2 3.3Å; R116-W122 HydrophobicContact CG-CE3 3.39Å; R116-W122 HydrophobicContact CG-CG 3.69Å; R116-W122 HydrophobicContact CG-CH2 4.27Å; R116-W122 HydrophobicContact CG-CZ2 4.23Å; R116-W122 HydrophobicContact CG-CZ3 3.89Å; R116-W122 VanDerWaalsContact NH1-CD1 3.3Å; R116-W122 VanDerWaalsContact NH2-CD1 3.26Å; R116-K176 WeakPolarHBondContact CD-O 3.49Å; R116-K177 HydrophobicContact CB-CB 4.39Å; R116-K177 HydrophobicContact CB-CG 4.18Å; R116-K177 WeakPolarHBondContact O-CE 3.4Å
117R96.6Very high96.6Very high78 Ų7870.7 Ų70.729%0.29433%0.333SS..G310 helixtrans-58.4-37.4177.1-171.948.559.2-179.93.3111.7C114 R115 Y119 K177 A178 H179 I180C114-R117 WeakPolarHBondContact O-CA 3.49Å; C114-R117 WeakPolarHBondContact O-CB 3.42Å; C114-R117 PolarHBondContact O-N 2.88Å; R115-R117 PolarHBondContact O-N 3.1Å; R115-R117 VanDerWaalsContact O-N 3.12Å; R117-Y119 VanDerWaalsContact C-N 3.33Å; R117-K177 PolarHBondContact NH2-O 3.37Å; R117-K177 VanDerWaalsContact NH2-O 3.16Å; R117-K177 VanDerWaalsContact O-CE 3.29Å; R117-K177 WeakPolarHBondContact O-CE 3.32Å; R117-K177 PolarHBondContact O-NZ 3.34Å; R117-A178 PolarHBondContact NE-O 2.7Å; R117-A178 PolarHBondContact NH2-O 3.23Å; R117-H179 PolarHBondContact NH2-CD2 2.72Å; R117-H179 VanDerWaalsContact NH2-CD2 3.34Å; R117-I180 HydrophobicContact CB-CD1 3.55Å; R117-I180 HydrophobicContact CB-CG1 4.08Å; R117-I180 HydrophobicContact CG-CB 4.41Å; R117-I180 HydrophobicContact CG-CD1 3.59Å; R117-I180 HydrophobicContact CG-CG1 3.88Å
118F97.1Very high96.5Very high90 Ų9077.3 Ų77.340%0.39536%0.361SS..G310 helixtrans-81.6-8.4-176.5-54.8-80.3000114.1F106 R115 R116 A129 F130 I180F106-F118 HydrophobicContact CE1-CZ 4.35Å; R115-F118 PolarHBondContact O-N 3.35Å; R116-F118 PolarHBondContact O-N 2.91Å; F118-A129 HydrophobicContact CB-CB 4.49Å; F118-F130 HydrophobicContact CD1-CE2 4.17Å; F118-F130 HydrophobicContact CD2-CD2 4.45Å; F118-F130 AromaticContact CD2-CE2 3.85Å; F118-F130 HydrophobicContact CD2-CE2 3.85Å; F118-F130 AromaticContact CE1-CE2 3.87Å; F118-F130 HydrophobicContact CE1-CE2 3.87Å; F118-F130 HydrophobicContact CE1-CZ 4.13Å; F118-F130 HydrophobicContact CE2-CD2 4.31Å; F118-F130 AromaticContact CE2-CE2 3.52Å; F118-F130 HydrophobicContact CE2-CE2 3.52Å; F118-F130 HydrophobicContact CE2-CZ 4.29Å; F118-F130 HydrophobicContact CG-CE2 4.16Å; F118-F130 AromaticContact CZ-CE2 3.53Å; F118-F130 HydrophobicContact CZ-CE2 3.53Å; F118-F130 AromaticContact CZ-CZ 3.86Å; F118-F130 HydrophobicContact CZ-CZ 3.86Å; F118-I180 HydrophobicContact CE2-CD1 4.05Å; F118-I180 HydrophobicContact CZ-CD1 3.95Å
119Y97.5Very high96.5Very high50 Ų5076 Ų7620%0.19636%0.358CS..  trans-109141.6175.3-68.1-78.2000112R115 R116 R117 W122 K128 A129 K177R115-Y119 WeakPolarHBondContact O-CD2 3.49Å; R116-Y119 PolarHBondContact O-N 2.73Å; R116-Y119 VanDerWaalsContact O-O 3.09Å; R117-Y119 VanDerWaalsContact C-N 3.33Å; Y119-W122 AromaticContact CD2-CE3 3.51Å; Y119-W122 HydrophobicContact CD2-CE3 3.51Å; Y119-W122 AromaticContact CD2-CZ3 3.61Å; Y119-W122 HydrophobicContact CD2-CZ3 3.61Å; Y119-W122 HydrophobicContact CE2-CE3 4.16Å; Y119-W122 AromaticContact CE2-CZ3 3.88Å; Y119-W122 HydrophobicContact CE2-CZ3 3.88Å; Y119-W122 HydrophobicContact CG-CE3 4.16Å; Y119-K128 PolarHBondContact OH-N 3.35Å; Y119-A129 HydrophobicContact CE2-CB 3.61Å; Y119-A129 PolarHBondContact OH-N 3.4Å; Y119-K177 PolarHBondContact O-NZ 3.31Å
120K95.8Very high96.6Very high218 Ų21873 Ų7395%0.94834%0.343SS*.SBendtrans-79.2-47.3164.6-71.2-176-179.4174.50110.5
121N96.8Very high96.5Very high84 Ų8474.9 Ų74.945%0.44936%0.356SS..SBendtrans-116.5100.1175.6-170.4-17.3000110.4A123 K124 S125N121-A123 PolarHBondContact OD1-N 2.99Å; N121-K124 PolarHBondContact OD1-N 3.23Å; N121-S125 WeakPolarHBondContact O-CB 3.21Å
122W96.4Very high96.5Very high32 Ų3281.8 Ų81.812%0.12138%0.381CS..SBendtrans-70.3-45.6-178176.3-93.1000112.8D112 R115 R116 Y119 K124 S125 K127D112-W122 HydrophobicContact CB-CH2 4.28Å; D112-W122 HydrophobicContact CB-CZ2 4.1Å; R115-W122 HydrophobicContact CB-CH2 3.77Å; R115-W122 HydrophobicContact CB-CZ3 3.69Å; R116-W122 HydrophobicContact CB-CD2 4.42Å; R116-W122 HydrophobicContact CB-CE3 4.09Å; R116-W122 HydrophobicContact CB-CZ3 4.46Å; R116-W122 HydrophobicContact CG-CB 4.16Å; R116-W122 HydrophobicContact CG-CD2 3.3Å; R116-W122 HydrophobicContact CG-CE3 3.39Å; R116-W122 HydrophobicContact CG-CG 3.69Å; R116-W122 HydrophobicContact CG-CH2 4.27Å; R116-W122 HydrophobicContact CG-CZ2 4.23Å; R116-W122 HydrophobicContact CG-CZ3 3.89Å; R116-W122 VanDerWaalsContact NH1-CD1 3.3Å; R116-W122 VanDerWaalsContact NH2-CD1 3.26Å; Y119-W122 AromaticContact CD2-CE3 3.51Å; Y119-W122 HydrophobicContact CD2-CE3 3.51Å; Y119-W122 AromaticContact CD2-CZ3 3.61Å; Y119-W122 HydrophobicContact CD2-CZ3 3.61Å; Y119-W122 HydrophobicContact CE2-CE3 4.16Å; Y119-W122 AromaticContact CE2-CZ3 3.88Å; Y119-W122 HydrophobicContact CE2-CZ3 3.88Å; Y119-W122 HydrophobicContact CG-CE3 4.16Å; W122-K124 PolarHBondContact O-N 3.45Å; W122-S125 PolarHBondContact O-N 3.15Å; W122-S125 VanDerWaalsContact O-N 3.15Å; W122-S125 PolarHBondContact O-OG 2.64Å; W122-K127 HydrophobicContact CD2-CG 4.23Å; W122-K127 HydrophobicContact CE3-CG 4.35Å; W122-K127 HydrophobicContact CH2-CB 4.21Å; W122-K127 HydrophobicContact CH2-CG 3.94Å; W122-K127 HydrophobicContact CZ2-CB 4.44Å; W122-K127 HydrophobicContact CZ2-CG 3.77Å; W122-K127 HydrophobicContact CZ3-CG 4.21Å; W122-K127 VanDerWaalsContact O-CE 3.28Å; W122-K127 WeakPolarHBondContact O-CE 3.33Å
123A95.8Very high96.4Very high75 Ų7581 Ų8162%0.6237%0.374SS*.THydrogen-bonded Turntrans-60.7-47.6-171.200000111.9N121 S125 K127N121-A123 PolarHBondContact OD1-N 2.99Å; A123-S125 VanDerWaalsContact C-N 3.3Å; A123-S125 PolarHBondContact O-N 2.84Å; A123-K127 PolarHBondContact O-NZ 2.85Å
124K97.1Very high96.4Very high185 Ų18581.8 Ų81.880%0.80438%0.38SS*.THydrogen-bonded Turntrans-77.3-9.7179.3-61.3-166.4178.6-1710114.4N121 W122N121-K124 PolarHBondContact OD1-N 3.23Å; W122-K124 PolarHBondContact O-N 3.45Å
125S97.1Very high96.3Very high20 Ų2088 Ų8814%0.1441%0.407CS..SBendtrans-79.1156.6-179.4740000111.8N121 W122 A123 K127N121-S125 WeakPolarHBondContact O-CB 3.21Å; W122-S125 PolarHBondContact O-N 3.15Å; W122-S125 VanDerWaalsContact O-N 3.15Å; W122-S125 PolarHBondContact O-OG 2.64Å; A123-S125 VanDerWaalsContact C-N 3.3Å; A123-S125 PolarHBondContact O-N 2.84Å; S125-K127 WeakPolarHBondContact O-CD 3.39Å; S125-K127 WeakPolarHBondContact O-CE 3.3Å; S125-K127 PolarHBondContact O-N 3.46Å; S125-K127 PolarHBondContact O-NZ 2.73Å; S125-K127 PolarHBondContact OG-N 2.69Å
126K96.9Very high96.2Very high178 Ų17888.4 Ų88.477%0.77441%0.41SS*.  trans-77.52.9170.6-62.7-173.3178.9-1770113.7K128K126-K128 VanDerWaalsContact C-N 3.35Å; K126-K128 HydrophobicContact CB-CG 4.12Å; K126-K128 PolarHBondContact O-N 3.29Å
127K96.4Very high96Very high79 Ų7987.4 Ų87.434%0.34341%0.406SS..  trans4652.4-179.3-50.997.9-171.1162.30112.9R115 W122 A123 S125R115-K127 PolarHBondContact NH2-O 3.01Å; W122-K127 HydrophobicContact CD2-CG 4.23Å; W122-K127 HydrophobicContact CE3-CG 4.35Å; W122-K127 HydrophobicContact CH2-CB 4.21Å; W122-K127 HydrophobicContact CH2-CG 3.94Å; W122-K127 HydrophobicContact CZ2-CB 4.44Å; W122-K127 HydrophobicContact CZ2-CG 3.77Å; W122-K127 HydrophobicContact CZ3-CG 4.21Å; W122-K127 VanDerWaalsContact O-CE 3.28Å; W122-K127 WeakPolarHBondContact O-CE 3.33Å; A123-K127 PolarHBondContact O-NZ 2.85Å; S125-K127 WeakPolarHBondContact O-CD 3.39Å; S125-K127 WeakPolarHBondContact O-CE 3.3Å; S125-K127 PolarHBondContact O-N 3.46Å; S125-K127 PolarHBondContact O-NZ 2.73Å; S125-K127 PolarHBondContact OG-N 2.69Å
128K96.3Very high95.9Very high140 Ų14088.9 Ų88.961%0.60942%0.417SS*.  trans-97.24.4179.4-68.7-165.9173.7-170.60115Y119 K126 F130 T131Y119-K128 PolarHBondContact OH-N 3.35Å; K126-K128 VanDerWaalsContact C-N 3.35Å; K126-K128 HydrophobicContact CB-CG 4.12Å; K126-K128 PolarHBondContact O-N 3.29Å; K128-F130 PolarHBondContact O-N 2.75Å; K128-T131 PolarHBondContact O-N 2.88Å; K128-T131 PolarHBondContact O-OG1 2.9Å; K128-T131 VanDerWaalsContact O-OG1 3.09Å
129A95.9Very high95.8Very high17 Ų1788.7 Ų88.714%0.1442%0.42CS..THydrogen-bonded Turntrans-61.7132.2178.500000110R115 F118 Y119 T131R115-A129 PolarHBondContact NE-O 2.79Å; R115-A129 VanDerWaalsContact NE-O 3.12Å; R115-A129 PolarHBondContact NH2-O 2.85Å; F118-A129 HydrophobicContact CB-CB 4.49Å; Y119-A129 HydrophobicContact CE2-CB 3.61Å; Y119-A129 PolarHBondContact OH-N 3.4Å; A129-T131 PolarHBondContact O-N 2.94Å
130F96.6Very high95.7Very high45 Ų4591.8 Ų91.820%0.19744%0.436CS..THydrogen-bonded Turntrans62.77.2179.4-65.2-90.5000117F106 L110 F118 K128 K132 Y133 S134F106-F130 HydrophobicContact CB-CD1 4.23Å; F106-F130 HydrophobicContact CB-CE1 3.88Å; F106-F130 AromaticContact CD1-CE1 3.79Å; F106-F130 HydrophobicContact CD1-CE1 3.79Å; F106-F130 AromaticContact CD1-CZ 3.94Å; F106-F130 HydrophobicContact CD1-CZ 3.94Å; F106-F130 AromaticContact CD2-CE1 3.45Å; F106-F130 HydrophobicContact CD2-CE1 3.45Å; F106-F130 VanDerWaalsContact CD2-CE1 3.45Å; F106-F130 AromaticContact CD2-CZ 3.98Å; F106-F130 HydrophobicContact CD2-CZ 3.98Å; F106-F130 HydrophobicContact CE1-CE1 4.15Å; F106-F130 AromaticContact CE1-CZ 3.86Å; F106-F130 HydrophobicContact CE1-CZ 3.86Å; F106-F130 AromaticContact CE2-CE1 3.82Å; F106-F130 HydrophobicContact CE2-CE1 3.82Å; F106-F130 AromaticContact CE2-CZ 3.88Å; F106-F130 HydrophobicContact CE2-CZ 3.88Å; F106-F130 HydrophobicContact CG-CD1 4.23Å; F106-F130 AromaticContact CG-CE1 3.41Å; F106-F130 HydrophobicContact CG-CE1 3.41Å; F106-F130 VanDerWaalsContact CG-CE1 3.41Å; F106-F130 AromaticContact CG-CZ 4Å; F106-F130 HydrophobicContact CG-CZ 4Å; F106-F130 HydrophobicContact CZ-CE1 4.16Å; F106-F130 AromaticContact CZ-CZ 3.83Å; F106-F130 HydrophobicContact CZ-CZ 3.83Å; L110-F130 HydrophobicContact CD1-CB 3.8Å; L110-F130 HydrophobicContact CD1-CD1 3.66Å; L110-F130 HydrophobicContact CD1-CD2 3.43Å; L110-F130 VanDerWaalsContact CD1-CD2 3.43Å; L110-F130 HydrophobicContact CD1-CE1 4.06Å; L110-F130 HydrophobicContact CD1-CE2 3.85Å; L110-F130 HydrophobicContact CD1-CG 3.33Å; L110-F130 HydrophobicContact CD1-CZ 4.14Å; F118-F130 HydrophobicContact CD1-CE2 4.17Å; F118-F130 HydrophobicContact CD2-CD2 4.45Å; F118-F130 AromaticContact CD2-CE2 3.85Å; F118-F130 HydrophobicContact CD2-CE2 3.85Å; F118-F130 AromaticContact CE1-CE2 3.87Å; F118-F130 HydrophobicContact CE1-CE2 3.87Å; F118-F130 HydrophobicContact CE1-CZ 4.13Å; F118-F130 HydrophobicContact CE2-CD2 4.31Å; F118-F130 AromaticContact CE2-CE2 3.52Å; F118-F130 HydrophobicContact CE2-CE2 3.52Å; F118-F130 HydrophobicContact CE2-CZ 4.29Å; F118-F130 HydrophobicContact CG-CE2 4.16Å; F118-F130 AromaticContact CZ-CE2 3.53Å; F118-F130 HydrophobicContact CZ-CE2 3.53Å; F118-F130 AromaticContact CZ-CZ 3.86Å; F118-F130 HydrophobicContact CZ-CZ 3.86Å; K128-F130 PolarHBondContact O-N 2.75Å; F130-K132 PolarHBondContact O-N 2.74Å; F130-Y133 HydrophobicContact CD1-CD1 4.27Å; F130-Y133 HydrophobicContact CD1-CG 4.15Å; F130-Y133 PolarHBondContact O-N 3.39Å; F130-Y133 VanDerWaalsContact O-N 3.17Å; F130-S134 WeakPolarHBondContact O-CB 3.46Å; F130-S134 PolarHBondContact O-N 2.93Å
131T95.2Very high95.7Very high62 Ų6286.9 Ų86.938%0.3842%0.424SS..Hα-helixtrans-65.2-43-179.456.50000112.8K128 A129 Y133 K135K128-T131 PolarHBondContact O-N 2.88Å; K128-T131 PolarHBondContact O-OG1 2.9Å; K128-T131 VanDerWaalsContact O-OG1 3.09Å; A129-T131 PolarHBondContact O-N 2.94Å; T131-Y133 VanDerWaalsContact C-N 3.3Å; T131-K135 PolarHBondContact O-N 3.46Å
132K94.7Very high95.6Very high183 Ų18383.1 Ų83.180%0.79641%0.406SS*.Hα-helixtrans-67.2-33.6173.4-65.4-171.8177-170.60112.3F130 K135 K136F130-K132 PolarHBondContact O-N 2.74Å; K132-K135 PolarHBondContact O-N 3.08Å; K132-K136 PolarHBondContact O-N 2.96Å
133Y95.6Very high95.5Very high50 Ų5085.8 Ų85.820%0.19642%0.418CS..Hα-helixtrans-73.1-37.7-178.3-169.7-81.7000111.6I105 F106 F130 T131 K135 K136 W137 L146I105-Y133 WeakPolarHBondContact CA-OH 3.42Å; F106-Y133 HydrophobicContact CB-CD1 4.17Å; F106-Y133 HydrophobicContact CB-CE1 3.7Å; F106-Y133 PolarHBondContact N-OH 3.01Å; F106-Y133 VanDerWaalsContact O-CE1 3.24Å; F106-Y133 WeakPolarHBondContact O-CE1 3.5Å; F106-Y133 PolarHBondContact O-OH 3.19Å; F130-Y133 HydrophobicContact CD1-CD1 4.27Å; F130-Y133 HydrophobicContact CD1-CG 4.15Å; F130-Y133 PolarHBondContact O-N 3.39Å; F130-Y133 VanDerWaalsContact O-N 3.17Å; T131-Y133 VanDerWaalsContact C-N 3.3Å; Y133-K135 VanDerWaalsContact C-N 3.34Å; Y133-K136 VanDerWaalsContact O-CB 3.22Å; Y133-K136 WeakPolarHBondContact O-CB 3.46Å; Y133-K136 PolarHBondContact O-N 3.41Å; Y133-K136 VanDerWaalsContact O-N 3.17Å; Y133-W137 AromaticContact CE1-CD1 3.87Å; Y133-W137 AromaticContact CE1-NE1 3.43Å; Y133-L146 WeakPolarHBondContact OH-CD2 3.5Å
134S94.9Very high95.6Very high26 Ų2687.8 Ų87.818%0.18241%0.413CS..Hα-helixtrans-60.7-42.2172.4168.30000111.4E108 F130 K136 W137E108-S134 WeakPolarHBondContact O-CB 3.41Å; F130-S134 WeakPolarHBondContact O-CB 3.46Å; F130-S134 PolarHBondContact O-N 2.93Å; S134-K136 PolarHBondContact O-N 2.99Å; S134-W137 WeakPolarHBondContact O-CB 2.86Å; S134-W137 PolarHBondContact O-N 3.24Å
135K95Very high95.6Very high131 Ų13182.5 Ų82.557%0.5739%0.391SS*.Hα-helixtrans-58.2-34.4173.5-67.5-174.3174.6-159.70113.5T131 K132 Y133 W137 Q138 D139T131-K135 PolarHBondContact O-N 3.46Å; K132-K135 PolarHBondContact O-N 3.08Å; Y133-K135 VanDerWaalsContact C-N 3.34Å; K135-W137 PolarHBondContact O-N 3.17Å; K135-Q138 WeakPolarHBondContact O-CA 3.22Å; K135-Q138 WeakPolarHBondContact O-CB 3.41Å; K135-Q138 PolarHBondContact O-N 3.38Å; K135-D139 VanDerWaalsContact O-CG 3.27Å; K135-D139 PolarHBondContact O-N 3.48Å
136K94.1Very high95.5Very high47 Ų4781.7 Ų81.720%0.20439%0.385CS..Hα-helixtrans-59.2-28.6175.2-168.3-171173.9-164.30112.9K132 Y133 S134 Q138 G142 K143 L146 D149K132-K136 PolarHBondContact O-N 2.96Å; Y133-K136 VanDerWaalsContact O-CB 3.22Å; Y133-K136 WeakPolarHBondContact O-CB 3.46Å; Y133-K136 PolarHBondContact O-N 3.41Å; Y133-K136 VanDerWaalsContact O-N 3.17Å; S134-K136 PolarHBondContact O-N 2.99Å; K136-Q138 VanDerWaalsContact C-N 3.28Å; K136-G142 WeakPolarHBondContact CE-O 3.24Å; K136-G142 VanDerWaalsContact CG-CA 3.41Å; K136-G142 CarbonylContact O-C 3.52Å; K136-G142 VanDerWaalsContact O-CA 3.23Å; K136-G142 WeakPolarHBondContact O-CA 2.99Å; K136-K143 PolarHBondContact O-N 2.6Å; K136-L146 HydrophobicContact CD-CD2 4.38Å; K136-L146 HydrophobicContact CD-CG 4.3Å; K136-D149 IonicContact NZ-OD2 3.68Å; K136-D149 PolarHBondContact NZ-OD2 2.93Å
137W94.3Very high95.5Very high45 Ų4578.2 Ų78.217%0.1737%0.371CS..Hα-helixtrans-75.3-19.5175.1-80.198.2000113I105 F106 E108 Y133 S134 K135 K143 L146 L201I105-W137 HydrophobicContact CG2-CZ2 3.92Å; F106-W137 VanDerWaalsContact O-CZ2 3.32Å; F106-W137 WeakPolarHBondContact O-CZ2 3.35Å; F106-W137 PolarHBondContact O-NE1 3.34Å; E108-W137 HydrophobicContact CB-CB 3.83Å; E108-W137 HydrophobicContact CB-CD2 4.29Å; E108-W137 HydrophobicContact CB-CG 3.72Å; E108-W137 HydrophobicContact CG-CB 3.73Å; E108-W137 HydrophobicContact CG-CG 4.15Å; Y133-W137 AromaticContact CE1-CD1 3.87Å; Y133-W137 AromaticContact CE1-NE1 3.43Å; S134-W137 WeakPolarHBondContact O-CB 2.86Å; S134-W137 PolarHBondContact O-N 3.24Å; K135-W137 PolarHBondContact O-N 3.17Å; W137-K143 WeakPolarHBondContact O-CE 3.44Å; W137-K143 WeakPolarHBondContact O-CG 3.41Å; W137-L146 HydrophobicContact CD2-CD1 3.4Å; W137-L146 VanDerWaalsContact CD2-CD1 3.4Å; W137-L146 HydrophobicContact CE3-CD1 3.68Å; W137-L146 HydrophobicContact CG-CD1 3.79Å; W137-L146 HydrophobicContact CH2-CD1 4.23Å; W137-L146 HydrophobicContact CZ2-CD1 4Å; W137-L146 HydrophobicContact CZ2-CD2 4.28Å; W137-L146 HydrophobicContact CZ3-CD1 4.09Å; W137-L201 HydrophobicContact CH2-CD1 4.14Å; W137-L201 HydrophobicContact CZ2-CD1 4.19Å
138Q94.1Very high95.5Very high110 Ų11080.6 Ų80.651%0.51438%0.382SS..Hα-helixtrans-93.3-40.5179.7-59.7178.4-12.400111E108 K135 K136E108-Q138 VanDerWaalsContact OE1-CG 3.32Å; E108-Q138 WeakPolarHBondContact OE1-CG 3.23Å; E108-Q138 PolarHBondContact OE1-NE2 3.01Å; K135-Q138 WeakPolarHBondContact O-CA 3.22Å; K135-Q138 WeakPolarHBondContact O-CB 3.41Å; K135-Q138 PolarHBondContact O-N 3.38Å; K136-Q138 VanDerWaalsContact C-N 3.28Å
139D95.1Very high95.6Very high86 Ų8674.4 Ų74.446%0.4636%0.356SS..SBendtrans-67.8133.6180-59.5-28.1000112.3K135 T141 G142 K143K135-D139 VanDerWaalsContact O-CG 3.27Å; K135-D139 PolarHBondContact O-N 3.48Å; D139-T141 PolarHBondContact O-N 2.86Å; D139-G142 WeakPolarHBondContact O-CA 3.32Å; D139-G142 PolarHBondContact O-N 3.27Å; D139-K143 PolarHBondContact O-N 2.99Å
140E95.2Very high95.7Very high115 Ų11574 Ų7454%0.53735%0.351SS..Hα-helixtrans-60.1-42.1-178.6-173.457-149.700112.8G142 K143 K144E140-G142 VanDerWaalsContact C-N 3.29Å; E140-G142 PolarHBondContact O-N 3.18Å; E140-K143 PolarHBondContact O-N 2.79Å; E140-K144 WeakPolarHBondContact O-CG 3.47Å; E140-K144 PolarHBondContact O-N 2.94Å; E140-K144 VanDerWaalsContact O-N 3.1Å; E140-K144 WeakPolarHBondContact OE1-CE 3.49Å
141T95.8Very high95.7Very high114 Ų11476.5 Ų76.570%0.69937%0.366SS*.Hα-helixtrans-65.2-35.4174.957.10000111.8D139 Q145D139-T141 PolarHBondContact O-N 2.86Å; T141-Q145 PolarHBondContact O-N 2.98Å; T141-Q145 VanDerWaalsContact O-N 3.07Å
142G95.3Very high95.8Very high6 Ų676.6 Ų76.66%0.06236%0.364CS..Hα-helixtrans-68-43.7177.500000112.6K136 D139 E140 Q145 L146K136-G142 WeakPolarHBondContact CE-O 3.24Å; K136-G142 VanDerWaalsContact CG-CA 3.41Å; K136-G142 CarbonylContact O-C 3.52Å; K136-G142 VanDerWaalsContact O-CA 3.23Å; K136-G142 WeakPolarHBondContact O-CA 2.99Å; D139-G142 WeakPolarHBondContact O-CA 3.32Å; D139-G142 PolarHBondContact O-N 3.27Å; E140-G142 VanDerWaalsContact C-N 3.29Å; E140-G142 PolarHBondContact O-N 3.18Å; G142-Q145 WeakPolarHBondContact O-CB 3.31Å; G142-Q145 PolarHBondContact O-N 3.44Å; G142-L146 WeakPolarHBondContact O-CG 3.44Å; G142-L146 PolarHBondContact O-N 3.18Å
143K95.3Very high96Very high88 Ų8867.9 Ų67.938%0.38333%0.326SS..Hα-helixtrans-59.1-49.4173.2-70.2177.2-175.4172.70111.7K136 W137 D139 E140 Q145 L146 E147K136-K143 PolarHBondContact O-N 2.6Å; W137-K143 WeakPolarHBondContact O-CE 3.44Å; W137-K143 WeakPolarHBondContact O-CG 3.41Å; D139-K143 PolarHBondContact O-N 2.99Å; E140-K143 PolarHBondContact O-N 2.79Å; K143-Q145 VanDerWaalsContact C-N 3.25Å; K143-Q145 PolarHBondContact O-N 3.06Å; K143-L146 WeakPolarHBondContact O-CA 3.4Å; K143-L146 WeakPolarHBondContact O-CB 3.41Å; K143-L146 PolarHBondContact O-N 3.08Å; K143-E147 PolarHBondContact O-N 2.93Å
144K96.6Very high96.1Very high116 Ų11668.5 Ų68.550%0.50433%0.33SS..Hα-helixtrans-56.2-39.9174.6-72176.8-177.7177.40112.1E140 K148E140-K144 WeakPolarHBondContact O-CG 3.47Å; E140-K144 PolarHBondContact O-N 2.94Å; E140-K144 VanDerWaalsContact O-N 3.1Å; E140-K144 WeakPolarHBondContact OE1-CE 3.49Å; K144-K148 VanDerWaalsContact O-CG 3.32Å; K144-K148 WeakPolarHBondContact O-CG 3.47Å; K144-K148 PolarHBondContact O-N 3.06Å
145Q96.4Very high96.2Very high74 Ų7474.7 Ų74.735%0.34635%0.354SS..Hα-helixtrans-68.7-38175.6-1765940.900112.6T141 G142 K143 K148 D149T141-Q145 PolarHBondContact O-N 2.98Å; T141-Q145 VanDerWaalsContact O-N 3.07Å; G142-Q145 WeakPolarHBondContact O-CB 3.31Å; G142-Q145 PolarHBondContact O-N 3.44Å; K143-Q145 VanDerWaalsContact C-N 3.25Å; K143-Q145 PolarHBondContact O-N 3.06Å; Q145-K148 PolarHBondContact O-N 2.84Å; Q145-D149 PolarHBondContact NE2-OD1 3.44Å; Q145-D149 WeakPolarHBondContact O-CB 3.19Å; Q145-D149 VanDerWaalsContact O-CG 3.27Å; Q145-D149 PolarHBondContact O-N 2.86Å
146L96.3Very high96.3Very high3 Ų374 Ų742%0.01635%0.348CS..Hα-helixtrans-65-41.3176-72.1165.7000111.5I105 Y133 K136 W137 G142 K143 D149 L150I105-L146 HydrophobicContact CG2-CD2 4.04Å; Y133-L146 WeakPolarHBondContact OH-CD2 3.5Å; K136-L146 HydrophobicContact CD-CD2 4.38Å; K136-L146 HydrophobicContact CD-CG 4.3Å; W137-L146 HydrophobicContact CD2-CD1 3.4Å; W137-L146 VanDerWaalsContact CD2-CD1 3.4Å; W137-L146 HydrophobicContact CE3-CD1 3.68Å; W137-L146 HydrophobicContact CG-CD1 3.79Å; W137-L146 HydrophobicContact CH2-CD1 4.23Å; W137-L146 HydrophobicContact CZ2-CD1 4Å; W137-L146 HydrophobicContact CZ2-CD2 4.28Å; W137-L146 HydrophobicContact CZ3-CD1 4.09Å; G142-L146 WeakPolarHBondContact O-CG 3.44Å; G142-L146 PolarHBondContact O-N 3.18Å; K143-L146 WeakPolarHBondContact O-CA 3.4Å; K143-L146 WeakPolarHBondContact O-CB 3.41Å; K143-L146 PolarHBondContact O-N 3.08Å; L146-D149 PolarHBondContact O-N 3.19Å; L146-L150 WeakPolarHBondContact O-CG 2.89Å; L146-L150 PolarHBondContact O-N 3.38Å
147E96.6Very high96.5Very high105 Ų10572.2 Ų72.249%0.49134%0.342SS..Hα-helixtrans-63.5-42.9174.4-70.9-179167.600111.9K143 D149 L150 N151K143-E147 PolarHBondContact O-N 2.93Å; E147-D149 VanDerWaalsContact C-N 3.33Å; E147-D149 PolarHBondContact O-N 3.25Å; E147-L150 PolarHBondContact O-N 3.3Å; E147-N151 WeakPolarHBondContact O-CB 3.24Å; E147-N151 VanDerWaalsContact O-CG 3.25Å; E147-N151 PolarHBondContact O-N 2.9Å; E147-N151 PolarHBondContact O-ND2 2.82Å
148K97.4Very high96.6Very high129 Ų12972.3 Ų72.356%0.56135%0.349SS*.Hα-helixtrans-57.4-45.8170.6-74.1176.9-177.5-177.20111.6K144 Q145 L150 N151 L152K144-K148 VanDerWaalsContact O-CG 3.32Å; K144-K148 WeakPolarHBondContact O-CG 3.47Å; K144-K148 PolarHBondContact O-N 3.06Å; Q145-K148 PolarHBondContact O-N 2.84Å; K148-L150 PolarHBondContact O-N 2.82Å; K148-N151 PolarHBondContact O-N 3.22Å; K148-L152 WeakPolarHBondContact O-CG 3.44Å; K148-L152 PolarHBondContact O-N 3.18Å
149D97.5Very high96.8Very high11 Ų1168.1 Ų68.16%0.05933%0.331CS..Hα-helixtrans-63.8-38.7178.6-71.4-40.7000111.6K103 I105 K136 Q145 L146 E147 L152 M153K103-D149 VanDerWaalsContact CE-OD1 3.31Å; K103-D149 WeakPolarHBondContact CE-OD1 3.07Å; K103-D149 IonicContact NZ-OD1 3.64Å; K103-D149 PolarHBondContact NZ-OD1 3.15Å; K103-D149 VanDerWaalsContact NZ-OD1 3.15Å; I105-D149 HydrophobicContact CD1-CB 3.89Å; I105-D149 HydrophobicContact CG1-CB 4.22Å; K136-D149 IonicContact NZ-OD2 3.68Å; K136-D149 PolarHBondContact NZ-OD2 2.93Å; Q145-D149 PolarHBondContact NE2-OD1 3.44Å; Q145-D149 WeakPolarHBondContact O-CB 3.19Å; Q145-D149 VanDerWaalsContact O-CG 3.27Å; Q145-D149 PolarHBondContact O-N 2.86Å; L146-D149 PolarHBondContact O-N 3.19Å; E147-D149 VanDerWaalsContact C-N 3.33Å; E147-D149 PolarHBondContact O-N 3.25Å; D149-L152 PolarHBondContact O-N 2.77Å; D149-M153 WeakPolarHBondContact O-CG 2.98Å; D149-M153 PolarHBondContact O-N 2.9Å; D149-M153 VanDerWaalsContact O-N 3.12Å
150L97.4Very high97Very high8 Ų864.1 Ų64.14%0.04231%0.309CS..Hα-helixtrans-65-45.8174.1-72.6167.7000111.5I89 I105 L146 E147 K148 L152 M153 K154 V194 K198I89-L150 HydrophobicContact CD1-CD2 4.26Å; I105-L150 HydrophobicContact CD1-CB 4.47Å; I105-L150 HydrophobicContact CD1-CD2 3.49Å; I105-L150 VanDerWaalsContact CD1-CD2 3.49Å; I105-L150 HydrophobicContact CD1-CG 3.64Å; L146-L150 WeakPolarHBondContact O-CG 2.89Å; L146-L150 PolarHBondContact O-N 3.38Å; E147-L150 PolarHBondContact O-N 3.3Å; K148-L150 PolarHBondContact O-N 2.82Å; L150-L152 VanDerWaalsContact C-N 3.31Å; L150-L152 PolarHBondContact O-N 2.98Å; L150-M153 WeakPolarHBondContact O-CA 3.34Å; L150-M153 WeakPolarHBondContact O-CB 3.48Å; L150-M153 PolarHBondContact O-N 2.99Å; L150-K154 WeakPolarHBondContact O-CG 3.49Å; L150-K154 PolarHBondContact O-N 2.8Å; L150-V194 HydrophobicContact CB-CG1 4.42Å; L150-V194 HydrophobicContact CD2-CG1 3.66Å; L150-K198 HydrophobicContact CD1-CD 3.8Å; L150-K198 HydrophobicContact CD1-CG 4.45Å
151N97.8Very high97.1Very high97 Ų9760.2 Ų60.252%0.51929%0.29SS..Hα-helixtrans-63.6-37.4178.3-70.7-20.1000111.8E147 K148 M153 K154 K155E147-N151 WeakPolarHBondContact O-CB 3.24Å; E147-N151 VanDerWaalsContact O-CG 3.25Å; E147-N151 PolarHBondContact O-N 2.9Å; E147-N151 PolarHBondContact O-ND2 2.82Å; K148-N151 PolarHBondContact O-N 3.22Å; N151-M153 VanDerWaalsContact C-N 3.31Å; N151-M153 PolarHBondContact O-N 3.44Å; N151-K154 PolarHBondContact O-N 2.87Å; N151-K155 WeakPolarHBondContact O-CB 3.12Å; N151-K155 PolarHBondContact O-N 2.8Å
152L97.4Very high97.3Very high65 Ų6554.8 Ų54.834%0.3426%0.256SS..Hα-helixtrans-60.5-39.8170.7-75.2173.2000112K148 D149 L150 Y156K148-L152 WeakPolarHBondContact O-CG 3.44Å; K148-L152 PolarHBondContact O-N 3.18Å; D149-L152 PolarHBondContact O-N 2.77Å; L150-L152 VanDerWaalsContact C-N 3.31Å; L150-L152 PolarHBondContact O-N 2.98Å; L152-Y156 HydrophobicContact CD2-CD2 3.78Å; L152-Y156 HydrophobicContact CD2-CE2 3.6Å; L152-Y156 PolarHBondContact O-N 2.94Å
153M97.8Very high97.4Very high0 Ų055.1 Ų55.10%026%0.257CS..Hα-helixtrans-63.5-47175-68.4-176.2-174.800111.4I89 K103 I105 D149 L150 N151 K155 C157 I160 V194I89-M153 HydrophobicContact CG2-SD 3.97Å; K103-M153 HydrophobicContact CB-CE 3.5Å; K103-M153 HydrophobicContact CB-CG 4.4Å; K103-M153 WeakPolarHBondContact O-CE 3.45Å; I105-M153 HydrophobicContact CB-CE 4.29Å; I105-M153 HydrophobicContact CD1-CE 3.57Å; I105-M153 HydrophobicContact CD1-SD 4.04Å; I105-M153 HydrophobicContact CG1-CE 3.62Å; D149-M153 WeakPolarHBondContact O-CG 2.98Å; D149-M153 PolarHBondContact O-N 2.9Å; D149-M153 VanDerWaalsContact O-N 3.12Å; L150-M153 WeakPolarHBondContact O-CA 3.34Å; L150-M153 WeakPolarHBondContact O-CB 3.48Å; L150-M153 PolarHBondContact O-N 2.99Å; N151-M153 VanDerWaalsContact C-N 3.31Å; N151-M153 PolarHBondContact O-N 3.44Å; M153-K155 VanDerWaalsContact C-N 3.3Å; M153-K155 PolarHBondContact O-N 2.75Å; M153-C157 WeakPolarHBondContact O-CB 3.27Å; M153-C157 PolarHBondContact O-N 2.84Å; M153-I160 HydrophobicContact CB-CD1 4.3Å; M153-V194 HydrophobicContact CB-CG2 3.99Å
154K97.9Very high97.6Very high63 Ų6350.9 Ų50.927%0.27424%0.238SC..Hα-helixtrans-59.2-40.5178.9-63.2-170.2-178.8-171.70112.4L150 N151 A191 V194 D195L150-K154 WeakPolarHBondContact O-CG 3.49Å; L150-K154 PolarHBondContact O-N 2.8Å; N151-K154 PolarHBondContact O-N 2.87Å; K154-A191 HydrophobicContact CB-CB 4.4Å; K154-A191 HydrophobicContact CD-CB 4.05Å; K154-A191 HydrophobicContact CG-CB 4.3Å; K154-V194 HydrophobicContact CG-CB 3.9Å; K154-V194 HydrophobicContact CG-CG1 3.99Å; K154-V194 HydrophobicContact CG-CG2 4.04Å; K154-D195 WeakPolarHBondContact CE-OD1 3.26Å; K154-D195 WeakPolarHBondContact CE-OD2 3.32Å; K154-D195 IonicContact NZ-OD1 3.13Å; K154-D195 PolarHBondContact NZ-OD1 2.9Å; K154-D195 IonicContact NZ-OD2 2.82Å; K154-D195 PolarHBondContact NZ-OD2 3.36Å
155K97.4Very high97.6Very high156 Ų15645.4 Ų45.468%0.67821%0.214SC*.Hα-helixtrans-78.3-43.4-175.5-173.1173.6-179.1178.10113.8N151 M153N151-K155 WeakPolarHBondContact O-CB 3.12Å; N151-K155 PolarHBondContact O-N 2.8Å; M153-K155 VanDerWaalsContact C-N 3.3Å; M153-K155 PolarHBondContact O-N 2.75Å
156Y97.4Very high97.7Very high117 Ų11741.9 Ų41.946%0.45920%0.198SC..Hα-helixtrans-113.2-18.1-166.3-64.8-64.9000115I93 L152I93-Y156 WeakPolarHBondContact CG1-O 3.46Å; L152-Y156 HydrophobicContact CD2-CD2 3.78Å; L152-Y156 HydrophobicContact CD2-CE2 3.6Å; L152-Y156 PolarHBondContact O-N 2.94Å
157C97.6Very high97.7Very high9 Ų943.7 Ų43.76%0.06121%0.206CC..  trans-80.6141.5-178.7-64.60000111G91 Y92 L102 M153 I160 V190G91-C157 VanDerWaalsContact C-SG 3.51Å; G91-C157 WeakPolarHBondContact CA-SG 3.41Å; Y92-C157 CarbonylContact O-C 3.5Å; Y92-C157 VanDerWaalsContact O-CA 3.26Å; Y92-C157 WeakPolarHBondContact O-CA 3.02Å; Y92-C157 WeakPolarHBondContact O-CB 3.35Å; L102-C157 VanDerWaalsContact CD2-SG 3.56Å; M153-C157 WeakPolarHBondContact O-CB 3.27Å; M153-C157 PolarHBondContact O-N 2.84Å; C157-I160 HydrophobicContact CB-CD1 3.81Å; C157-V190 WeakPolarHBondContact O-CG1 3.37Å
158S96.6Very high97.8Very high46 Ų4638.8 Ų38.832%0.32218%0.184SC..SBendtrans-95.9-25.317160.70000111.9Y92 H94Y92-S158 PolarHBondContact O-N 3.21Å; Y92-S158 PolarHBondContact O-OG 3.3Å; H94-S158 PolarHBondContact N-OG 2.95Å
159V97.9Very high97.7Very high23 Ų2341.4 Ų41.414%0.13919%0.19CC..EExtended strand (participates in β ladder)trans-134.9130.4-178.3176.20000109.9Y92 L99 R161 Q184Y92-V159 PolarHBondContact N-O 3.3Å; Y92-V159 PolarHBondContact O-N 3.45Å; L99-V159 HydrophobicContact CD1-CG2 4.32Å; L99-V159 HydrophobicContact CD2-CG2 4.27Å; V159-R161 HydrophobicContact CG1-CG 4.27Å; V159-Q184 HydrophobicContact CG1-CG 3.84Å
160I98.5Very high97.6Very high1 Ų144.5 Ų44.51%0.00521%0.206CC..EExtended strand (participates in β ladder)trans-107.6133.9173.4-56.8-58.4000109.3I89 M153 C157 L185 V190 K193 V194I89-I160 HydrophobicContact CG2-CG2 3.77Å; M153-I160 HydrophobicContact CB-CD1 4.3Å; C157-I160 HydrophobicContact CB-CD1 3.81Å; I160-L185 HydrophobicContact CG2-CD1 4.22Å; I160-L185 PolarHBondContact O-N 2.84Å; I160-L185 VanDerWaalsContact O-N 3.1Å; I160-V190 HydrophobicContact CD1-CG1 4.15Å; I160-V190 HydrophobicContact CG1-CG1 3.97Å; I160-K193 HydrophobicContact CB-CB 4.24Å; I160-K193 HydrophobicContact CG1-CB 4.25Å; I160-V194 HydrophobicContact CD1-CG2 3.62Å; I160-V194 HydrophobicContact CG1-CG2 3.82Å
161R98.7Very high97.6Very high33 Ų3344.7 Ų44.713%0.12521%0.207CC..EExtended strand (participates in β ladder)trans-125.4142.1170.6-55.8-161.7179.4137.18.8110.3W32 I89 V90 Y92 V159 E182 V183 Q184W32-R161 VanDerWaalsContact NE1-CZ 3.35Å; I89-R161 CarbonylContact C-O 3.53Å; I89-R161 WeakPolarHBondContact CA-O 3.08Å; V90-R161 PolarHBondContact N-O 3.09Å; V90-R161 PolarHBondContact O-N 2.97Å; Y92-R161 HydrophobicContact CD2-CG 4.09Å; Y92-R161 HydrophobicContact CE2-CB 4.31Å; Y92-R161 HydrophobicContact CE2-CG 3.83Å; Y92-R161 PolarHBondContact OH-NH1 3.17Å; V159-R161 HydrophobicContact CG1-CG 4.27Å; R161-E182 HydrophobicContact CB-CB 4.18Å; R161-E182 WeakPolarHBondContact CD-OE2 3.47Å; R161-E182 IonicContact CZ-OE2 3.11Å; R161-E182 IonicContact NH1-OE2 3.89Å; R161-E182 PolarHBondContact NH1-OE2 3.47Å; R161-V183 CarbonylContact C-O 3.57Å; R161-V183 WeakPolarHBondContact CA-O 3.13Å; R161-V183 WeakPolarHBondContact CB-O 3.25Å; R161-Q184 HydrophobicContact CG-CB 4.2Å; R161-Q184 HydrophobicContact CG-CG 4.39Å
162V98.6Very high97.5Very high0 Ų042.7 Ų42.70%020%0.199CC..EExtended strand (participates in β ladder)trans-94.5143.1168.8-67.80000110.5L43 V86 G88 V164 E182 V183 L185 A197L43-V162 HydrophobicContact CD2-CG2 3.4Å; L43-V162 VanDerWaalsContact CD2-CG2 3.4Å; V86-V162 HydrophobicContact CG1-CB 3.99Å; V86-V162 HydrophobicContact CG1-CG1 4.17Å; G88-V162 CarbonylContact O-C 3.56Å; G88-V162 VanDerWaalsContact O-CA 3.3Å; G88-V162 WeakPolarHBondContact O-CA 3.39Å; V162-V164 HydrophobicContact CG2-CG1 3.91Å; V162-E182 CarbonylContact O-C 3.58Å; V162-E182 VanDerWaalsContact O-CA 3.22Å; V162-E182 WeakPolarHBondContact O-CA 3.43Å; V162-V183 HydrophobicContact CG2-CB 4.09Å; V162-V183 PolarHBondContact N-O 3.27Å; V162-V183 PolarHBondContact O-N 3.02Å; V162-L185 HydrophobicContact CG1-CD1 3.78Å; V162-L185 HydrophobicContact CG1-CG 4.18Å; V162-A197 HydrophobicContact CG1-CB 3.66Å
163I98.6Very high97.5Very high13 Ų1341 Ų417%0.06719%0.19CC..EExtended strand (participates in β ladder)trans-89117.5170.4-56.7178.5000106.8V87 G88 V90 T104 F106 I180 E182V87-I163 HydrophobicContact CG2-CB 4.33Å; V87-I163 HydrophobicContact CG2-CG2 3.88Å; V87-I163 WeakPolarHBondContact CG2-O 3.48Å; V87-I163 PolarHBondContact N-O 2.97Å; G88-I163 PolarHBondContact N-O 2.8Å; G88-I163 PolarHBondContact O-N 2.87Å; V90-I163 HydrophobicContact CG2-CD1 3.64Å; V90-I163 HydrophobicContact CG2-CG1 3.65Å; T104-I163 HydrophobicContact CG2-CD1 3.85Å; F106-I163 HydrophobicContact CE1-CD1 3.76Å; F106-I163 HydrophobicContact CE2-CD1 4.31Å; F106-I163 HydrophobicContact CZ-CD1 3.64Å; I163-I180 HydrophobicContact CG2-CG2 3.39Å; I163-E182 HydrophobicContact CG1-CG 4.44Å
164V98.4Very high97.4Very high0 Ų052.8 Ų52.80%024%0.235CC..EExtended strand (participates in β ladder)trans-115150.7175.9-50.80000110.5V84 I85 V86 V162 I180 M181 V183V84-V164 HydrophobicContact CB-CB 4.14Å; V84-V164 HydrophobicContact CB-CG2 4.3Å; V84-V164 HydrophobicContact CG2-CB 4.12Å; V84-V164 HydrophobicContact CG2-CG1 4.38Å; V84-V164 HydrophobicContact CG2-CG2 4.31Å; I85-V164 CarbonylContact O-C 3.53Å; I85-V164 VanDerWaalsContact O-CA 3.26Å; I85-V164 WeakPolarHBondContact O-CA 3.2Å; V86-V164 HydrophobicContact CG2-CG1 4.02Å; V162-V164 HydrophobicContact CG2-CG1 3.91Å; V164-I180 CarbonylContact O-C 3.48Å; V164-I180 WeakPolarHBondContact O-CA 3.31Å; V164-M181 HydrophobicContact CG2-CG 3.46Å; V164-M181 VanDerWaalsContact CG2-CG 3.46Å; V164-M181 HydrophobicContact CG2-SD 4.45Å; V164-M181 PolarHBondContact N-O 3.33Å; V164-M181 PolarHBondContact O-N 2.87Å; V164-V183 HydrophobicContact CG1-CG2 4.19Å; V164-V183 HydrophobicContact CG2-CG2 3.67Å
165H98.1Very high97.4Very high0 Ų053.1 Ų53.10%024%0.237CC..EExtended strand (participates in β ladder)trans-126.5147.3167.279.281.4000112.3V84 I85 V87 S111 E113 A178 H179 I180V84-H165 CarbonylContact C-O 3.49Å; V84-H165 WeakPolarHBondContact CA-O 3.17Å; I85-H165 PolarHBondContact N-O 2.87Å; I85-H165 PolarHBondContact O-N 2.73Å; V87-H165 WeakPolarHBondContact CG1-CD2 3.46Å; S111-H165 PolarHBondContact OG-CE1 3.47Å; S111-H165 PolarHBondContact OG-NE2 3.41Å; S111-H165 VanDerWaalsContact OG-NE2 3.08Å; E113-H165 IonicContact OE1-CE1 2.96Å; E113-H165 PolarHBondContact OE1-CE1 3.2Å; E113-H165 IonicContact OE1-ND1 3.44Å; H165-A178 HydrophobicContact CB-CB 4.11Å; H165-H179 VanDerWaalsContact CA-O 3.23Å; H165-H179 WeakPolarHBondContact CA-O 3.37Å; H165-I180 HydrophobicContact CB-CG1 3.91Å
166S97.4Very high97.4Very high0 Ų052 Ų520%023%0.233CC..EExtended strand (participates in β ladder)trans-76.2152.8172.263.30000111.7Y49 A178 H179Y49-S166 WeakPolarHBondContact OH-CB 3.34Å; Y49-S166 PolarHBondContact OH-OG 3.01Å; S166-A178 VanDerWaalsContact O-CB 3.24Å; S166-A178 WeakPolarHBondContact O-CB 3.26Å; S166-H179 PolarHBondContact N-O 3.35Å; S166-H179 PolarHBondContact OG-N 3.12Å
167Q97.3Very high97.4Very high41 Ų4149.3 Ų49.319%0.19222%0.223CC..  trans-90.6105.6171.2-62.5175.4-70.600111.6P83 I85 E113 L170P83-Q167 PolarHBondContact O-OE1 3.15Å; I85-Q167 HydrophobicContact CD1-CG 3.8Å; I85-Q167 HydrophobicContact CG1-CG 4.08Å; E113-Q167 VanDerWaalsContact OE1-CA 3.28Å; E113-Q167 WeakPolarHBondContact OE1-CA 3.34Å; Q167-L170 HydrophobicContact CB-CD1 3.81Å; Q167-L170 HydrophobicContact CB-CG 4.02Å; Q167-L170 HydrophobicContact CG-CD1 4.47Å
168M97.2Very high97.4Very high3 Ų348.9 Ų48.92%0.01522%0.22CC..SBendtrans-80.6-26.7-175.8-68.9-64.8-49.500112.9Y49 E113 L170 L171 I173 Q175Y49-M168 HydrophobicContact CE1-CE 4.23Å; Y49-M168 HydrophobicContact CE1-SD 3.85Å; Y49-M168 VanDerWaalsContact CZ-SD 3.59Å; Y49-M168 PolarHBondContact OH-SD 2.83Å; E113-M168 PolarHBondContact OE2-N 2.84Å; M168-L170 PolarHBondContact O-N 3.07Å; M168-L171 HydrophobicContact CE-CD1 4.18Å; M168-L171 PolarHBondContact O-N 3.01Å; M168-L171 VanDerWaalsContact O-N 3.15Å; M168-L171 HydrophobicContact SD-CD1 4.1Å; M168-I173 HydrophobicContact CE-CB 4.37Å; M168-I173 HydrophobicContact CE-CG2 4.44Å; M168-Q175 WeakPolarHBondContact CB-O 3.46Å; M168-Q175 HydrophobicContact CE-CB 3.9Å; M168-Q175 HydrophobicContact CE-CG 3.98Å; M168-Q175 WeakPolarHBondContact CE-O 3.34Å
169R96.1Very high97.5Very high184 Ų18447.3 Ų47.369%0.69421%0.208SC*.THydrogen-bonded Turntrans-62.7-27.5179.2-67.3-178.6177.8-173.40.1112.7E113 L171E113-R169 PolarHBondContact OE2-N 3.09Å; R169-L171 VanDerWaalsContact C-N 3.27Å; R169-L171 PolarHBondContact O-N 3.04Å
170L96.4Very high97.5Very high75 Ų7547.8 Ų47.839%0.39321%0.209SC..THydrogen-bonded Turntrans-77.6-12.2179-57.9-177.4000113.1P82 Q167 M168 N328P82-L170 HydrophobicContact CB-CB 4.27Å; P82-L170 HydrophobicContact CB-CD1 4.06Å; Q167-L170 HydrophobicContact CB-CD1 3.81Å; Q167-L170 HydrophobicContact CB-CG 4.02Å; Q167-L170 HydrophobicContact CG-CD1 4.47Å; M168-L170 PolarHBondContact O-N 3.07Å; L170-N328 WeakPolarHBondContact CB-OD1 3.17Å; L170-N328 PolarHBondContact O-ND2 3.33Å
171L97Very high97.4Very high12 Ų1247.8 Ų47.86%0.06321%0.209CC..SBendtrans-100.2146.9-175.6-63.1170.1000111.3Y49 E80 P82 M168 R169 I173Y49-L171 HydrophobicContact CD1-CD1 3.94Å; Y49-L171 HydrophobicContact CD2-CD1 3.33Å; Y49-L171 HydrophobicContact CD2-CD2 4.23Å; Y49-L171 HydrophobicContact CD2-CG 4.42Å; Y49-L171 HydrophobicContact CE1-CD1 3.96Å; Y49-L171 HydrophobicContact CE2-CD1 3.37Å; Y49-L171 HydrophobicContact CG-CD1 3.64Å; E80-L171 HydrophobicContact CB-CD2 4.39Å; E80-L171 HydrophobicContact CG-CD2 3.84Å; E80-L171 WeakPolarHBondContact OE2-CD2 3.48Å; P82-L171 HydrophobicContact CG-CD1 4.24Å; P82-L171 HydrophobicContact CG-CD2 3.93Å; P82-L171 HydrophobicContact CG-CG 4.1Å; M168-L171 HydrophobicContact CE-CD1 4.18Å; M168-L171 PolarHBondContact O-N 3.01Å; M168-L171 VanDerWaalsContact O-N 3.15Å; M168-L171 HydrophobicContact SD-CD1 4.1Å; R169-L171 VanDerWaalsContact C-N 3.27Å; R169-L171 PolarHBondContact O-N 3.04Å; L171-I173 HydrophobicContact CB-CB 4.48Å; L171-I173 HydrophobicContact CB-CD1 4.22Å; L171-I173 HydrophobicContact CB-CG1 4.12Å; L171-I173 HydrophobicContact CD1-CD1 4.27Å; L171-I173 PolarHBondContact O-N 3.04Å
172P95.9Very high97.4Very high56 Ų5649.6 Ų49.636%0.36422%0.219SC..SBendtrans-77.448.2175.336.4-40.7000112.1Y323 E325P172-Y323 HydrophobicContact CG-CD1 4.12Å; P172-Y323 HydrophobicContact CG-CE1 3.78Å; P172-E325 WeakPolarHBondContact CG-O 3.34Å
173I96.3Very high97.4Very high29 Ų2949.6 Ų49.615%0.14922%0.219CC..SBendtrans-125.3133.5-175.5-52.7176.6000109.1Y49 M168 L171 Q175 Y323 K342Y49-I173 HydrophobicContact CD1-CD1 4.01Å; Y49-I173 HydrophobicContact CG-CD1 4.5Å; M168-I173 HydrophobicContact CE-CB 4.37Å; M168-I173 HydrophobicContact CE-CG2 4.44Å; L171-I173 HydrophobicContact CB-CB 4.48Å; L171-I173 HydrophobicContact CB-CD1 4.22Å; L171-I173 HydrophobicContact CB-CG1 4.12Å; L171-I173 HydrophobicContact CD1-CD1 4.27Å; L171-I173 PolarHBondContact O-N 3.04Å; I173-Q175 HydrophobicContact CG2-CB 4.23Å; I173-Q175 PolarHBondContact O-N 2.77Å; I173-Y323 HydrophobicContact CD1-CE2 4.16Å; I173-K342 HydrophobicContact CD1-CB 4.07Å; I173-K342 HydrophobicContact CD1-CG 4.22Å; I173-K342 HydrophobicContact CG1-CB 4.46Å; I173-K342 HydrophobicContact CG1-CD 4.4Å; I173-K342 HydrophobicContact CG1-CG 4.15Å
174R96.6Very high97.4Very high248 Ų24849.8 Ų49.894%0.93622%0.22SC*.SBendtrans-54.5-26.9179.4-177.1178175.4-174.40.5114.4K176R174-K176 PolarHBondContact O-N 3.46Å
175Q97.1Very high97.4Very high70 Ų7049.8 Ų49.833%0.32722%0.22SC..  trans-71.2120.4-176.4174.4178.7-24.700110.8M168 I173 K177 H179M168-Q175 WeakPolarHBondContact CB-O 3.46Å; M168-Q175 HydrophobicContact CE-CB 3.9Å; M168-Q175 HydrophobicContact CE-CG 3.98Å; M168-Q175 WeakPolarHBondContact CE-O 3.34Å; I173-Q175 HydrophobicContact CG2-CB 4.23Å; I173-Q175 PolarHBondContact O-N 2.77Å; Q175-K177 HydrophobicContact CG-CB 4.14Å; Q175-K177 PolarHBondContact NE2-O 2.95Å; Q175-H179 PolarHBondContact NE2-CE1 3.05Å; Q175-H179 PolarHBondContact NE2-NE2 3.35Å
176K97.1Very high97.4Very high133 Ų13350 Ų5058%0.57822%0.221SC*.  trans-93.8-1.7174-57.4-176.3178.8-174.30114.3E113 R116 R174E113-K176 WeakPolarHBondContact CB-O 3.4Å; R116-K176 WeakPolarHBondContact CD-O 3.49Å; R174-K176 PolarHBondContact O-N 3.46Å
177K97.8Very high97.4Very high59 Ų5950 Ų5026%0.25722%0.221SC..SBendtrans-90.9108.6-173.1-173.9174.5-176.7161.30110.1R116 R117 Y119 Q175R116-K177 HydrophobicContact CB-CB 4.39Å; R116-K177 HydrophobicContact CB-CG 4.18Å; R116-K177 WeakPolarHBondContact O-CE 3.4Å; R117-K177 PolarHBondContact NH2-O 3.37Å; R117-K177 VanDerWaalsContact NH2-O 3.16Å; R117-K177 VanDerWaalsContact O-CE 3.29Å; R117-K177 WeakPolarHBondContact O-CE 3.32Å; R117-K177 PolarHBondContact O-NZ 3.34Å; Y119-K177 PolarHBondContact O-NZ 3.31Å; Q175-K177 HydrophobicContact CG-CB 4.14Å; Q175-K177 PolarHBondContact NE2-O 2.95Å
178A97.9Very high97.3Very high0 Ų048.7 Ų48.70%022%0.218CC..PPolyproline II helixtrans-60.1141.3-17700000112.4E113 R117 H165 S166E113-A178 HydrophobicContact CB-CB 4.07Å; E113-A178 HydrophobicContact CG-CB 4.09Å; E113-A178 VanDerWaalsContact O-CB 3.24Å; E113-A178 WeakPolarHBondContact O-CB 3.44Å; E113-A178 PolarHBondContact O-N 2.65Å; R117-A178 PolarHBondContact NE-O 2.7Å; R117-A178 PolarHBondContact NH2-O 3.23Å; H165-A178 HydrophobicContact CB-CB 4.11Å; S166-A178 VanDerWaalsContact O-CB 3.24Å; S166-A178 WeakPolarHBondContact O-CB 3.26Å
179H98.4Very high97.3Very high13 Ų1357.4 Ų57.46%0.0625%0.251CS..PPolyproline II helixtrans-84127.6171.6-68.6100.9000109.3L47 Y49 R117 H165 S166 Q175 V344L47-H179 HydrophobicContact CD1-CB 4.03Å; L47-H179 WeakPolarHBondContact CD1-O 3.18Å; Y49-H179 AromaticContact CE1-CE1 3.93Å; Y49-H179 AromaticContact CE1-ND1 3.67Å; Y49-H179 AromaticContact CZ-ND1 3.66Å; Y49-H179 PolarHBondContact OH-ND1 3.18Å; R117-H179 PolarHBondContact NH2-CD2 2.72Å; R117-H179 VanDerWaalsContact NH2-CD2 3.34Å; H165-H179 VanDerWaalsContact CA-O 3.23Å; H165-H179 WeakPolarHBondContact CA-O 3.37Å; S166-H179 PolarHBondContact N-O 3.35Å; S166-H179 PolarHBondContact OG-N 3.12Å; Q175-H179 PolarHBondContact NE2-CE1 3.05Å; Q175-H179 PolarHBondContact NE2-NE2 3.35Å; H179-V344 HydrophobicContact CB-CG2 4.37Å
180I97.8Very high97.4Very high33 Ų3350.3 Ų50.317%0.16923%0.228CC..EExtended strand (participates in β ladder)trans-103.9137.8178.7-59.7-177.3000109.8R26 R117 F118 I163 V164 H165R26-I180 VanDerWaalsContact CZ-O 3.27Å; R26-I180 PolarHBondContact NE-O 2.96Å; R26-I180 VanDerWaalsContact NE-O 3.09Å; R26-I180 PolarHBondContact NH2-O 2.92Å; R117-I180 HydrophobicContact CB-CD1 3.55Å; R117-I180 HydrophobicContact CB-CG1 4.08Å; R117-I180 HydrophobicContact CG-CB 4.41Å; R117-I180 HydrophobicContact CG-CD1 3.59Å; R117-I180 HydrophobicContact CG-CG1 3.88Å; F118-I180 HydrophobicContact CE2-CD1 4.05Å; F118-I180 HydrophobicContact CZ-CD1 3.95Å; I163-I180 HydrophobicContact CG2-CG2 3.39Å; V164-I180 CarbonylContact O-C 3.48Å; V164-I180 WeakPolarHBondContact O-CA 3.31Å; H165-I180 HydrophobicContact CB-CG1 3.91Å
181M97.5Very high97.5Very high2 Ų248.3 Ų48.31%0.0122%0.222CC..EExtended strand (participates in β ladder)trans-141149168.576.3176.7-75.200112.5V29 W32 A45 L47 V164 V183 T346V29-M181 HydrophobicContact CG2-CE 4.12Å; W32-M181 HydrophobicContact CH2-CE 3.81Å; A45-M181 HydrophobicContact CB-CE 3.71Å; L47-M181 HydrophobicContact CD1-CB 4.31Å; L47-M181 HydrophobicContact CD1-CG 3.94Å; L47-M181 HydrophobicContact CD1-SD 4.05Å; L47-M181 HydrophobicContact CD2-CB 4.49Å; L47-M181 HydrophobicContact CD2-CG 4.19Å; L47-M181 HydrophobicContact CD2-SD 3.31Å; L47-M181 WeakPolarHBondContact CD2-SD 3.32Å; L47-M181 HydrophobicContact CG-CG 3.95Å; L47-M181 HydrophobicContact CG-SD 3.37Å; L47-M181 WeakPolarHBondContact CG-SD 3.5Å; V164-M181 HydrophobicContact CG2-CG 3.46Å; V164-M181 VanDerWaalsContact CG2-CG 3.46Å; V164-M181 HydrophobicContact CG2-SD 4.45Å; V164-M181 PolarHBondContact N-O 3.33Å; V164-M181 PolarHBondContact O-N 2.87Å; M181-V183 HydrophobicContact CE-CG2 3.76Å; M181-V183 HydrophobicContact CG-CG2 3.87Å; M181-V183 HydrophobicContact SD-CG2 3.99Å; M181-T346 HydrophobicContact CE-CG2 3.61Å; M181-T346 HydrophobicContact SD-CG2 4.06Å
182E98.3Very high97.5Very high70 Ų7051 Ų5133%0.32724%0.237SC..EExtended strand (participates in β ladder)trans-76.4139.9157.4-68.4160.1-145.400109.1W32 V90 Y92 R161 V162 I163W32-E182 WeakPolarHBondContact CH2-O 3.33Å; W32-E182 WeakPolarHBondContact CZ2-O 3.39Å; V90-E182 HydrophobicContact CG2-CG 4.43Å; Y92-E182 VanDerWaalsContact OH-CD 3.3Å; Y92-E182 PolarHBondContact OH-OE1 3.31Å; Y92-E182 PolarHBondContact OH-OE2 2.99Å; R161-E182 HydrophobicContact CB-CB 4.18Å; R161-E182 WeakPolarHBondContact CD-OE2 3.47Å; R161-E182 IonicContact CZ-OE2 3.11Å; R161-E182 IonicContact NH1-OE2 3.89Å; R161-E182 PolarHBondContact NH1-OE2 3.47Å; V162-E182 CarbonylContact O-C 3.58Å; V162-E182 VanDerWaalsContact O-CA 3.22Å; V162-E182 WeakPolarHBondContact O-CA 3.43Å; I163-E182 HydrophobicContact CG1-CG 4.44Å
183V98.5Very high97.6Very high1 Ų148.5 Ų48.51%0.00622%0.22CC..EExtended strand (participates in β ladder)trans-121.4129.9168.9-177.30000107.7W32 L43 A45 R161 V162 V164 M181W32-V183 HydrophobicContact CZ3-CG1 4.33Å; L43-V183 HydrophobicContact CB-CG1 4.02Å; L43-V183 HydrophobicContact CD2-CB 3.94Å; L43-V183 HydrophobicContact CD2-CG1 3.55Å; L43-V183 HydrophobicContact CG-CG1 4.37Å; A45-V183 HydrophobicContact CB-CG1 4.2Å; A45-V183 WeakPolarHBondContact O-CG1 3.24Å; R161-V183 CarbonylContact C-O 3.57Å; R161-V183 WeakPolarHBondContact CA-O 3.13Å; R161-V183 WeakPolarHBondContact CB-O 3.25Å; V162-V183 HydrophobicContact CG2-CB 4.09Å; V162-V183 PolarHBondContact N-O 3.27Å; V162-V183 PolarHBondContact O-N 3.02Å; V164-V183 HydrophobicContact CG1-CG2 4.19Å; V164-V183 HydrophobicContact CG2-CG2 3.67Å; M181-V183 HydrophobicContact CE-CG2 3.76Å; M181-V183 HydrophobicContact CG-CG2 3.87Å; M181-V183 HydrophobicContact SD-CG2 3.99Å
184Q98.6Very high97.7Very high17 Ų1747.1 Ų47.18%0.07921%0.213CC..EExtended strand (participates in β ladder)trans-76.2135.2176.6-170.9173.4-60.800110.8W32 T44 V159 R161 N186W32-Q184 HydrophobicContact CB-CB 4.17Å; W32-Q184 HydrophobicContact CB-CG 4.49Å; W32-Q184 VanDerWaalsContact CB-OE1 3.29Å; W32-Q184 HydrophobicContact CD2-CB 3.64Å; W32-Q184 HydrophobicContact CE3-CB 3.81Å; W32-Q184 HydrophobicContact CG-CB 3.8Å; W32-Q184 HydrophobicContact CG-CG 4.46Å; W32-Q184 VanDerWaalsContact CG-OE1 3.27Å; W32-Q184 HydrophobicContact CZ3-CB 4.4Å; T44-Q184 WeakPolarHBondContact CG2-O 3.04Å; T44-Q184 PolarHBondContact N-O 3.3Å; T44-Q184 PolarHBondContact OG1-O 3.41Å; V159-Q184 HydrophobicContact CG1-CG 3.84Å; R161-Q184 HydrophobicContact CG-CB 4.2Å; R161-Q184 HydrophobicContact CG-CG 4.39Å; Q184-N186 WeakPolarHBondContact CG-OD1 3.33Å; Q184-N186 PolarHBondContact NE2-OD1 2.78Å
185L98.3Very high97.7Very high0 Ų038.5 Ų38.50%019%0.186CC..EExtended strand (participates in β ladder)trans-88.8125.2169.5-68.9176.9000109.6I41 L43 I160 V162 K193 W196 A197I41-L185 HydrophobicContact CG2-CD2 4.34Å; L43-L185 HydrophobicContact CD2-CD2 3.47Å; L43-L185 VanDerWaalsContact CD2-CD2 3.47Å; L43-L185 HydrophobicContact CD2-CG 4.49Å; L43-L185 HydrophobicContact CG-CD2 4.02Å; I160-L185 HydrophobicContact CG2-CD1 4.22Å; I160-L185 PolarHBondContact O-N 2.84Å; I160-L185 VanDerWaalsContact O-N 3.1Å; V162-L185 HydrophobicContact CG1-CD1 3.78Å; V162-L185 HydrophobicContact CG1-CG 4.18Å; L185-K193 HydrophobicContact CB-CD 4.35Å; L185-K193 HydrophobicContact CB-CG 4.34Å; L185-K193 HydrophobicContact CD1-CB 4.42Å; L185-K193 WeakPolarHBondContact CD1-O 2.98Å; L185-K193 PolarHBondContact O-NZ 2.91Å; L185-W196 HydrophobicContact CD1-CE3 3.64Å; L185-W196 HydrophobicContact CD1-CZ3 4.07Å; L185-W196 HydrophobicContact CD2-CE3 3.68Å; L185-W196 HydrophobicContact CD2-CH2 4.12Å; L185-W196 HydrophobicContact CD2-CZ3 3.46Å; L185-W196 VanDerWaalsContact CD2-CZ3 3.46Å; L185-W196 HydrophobicContact CG-CE3 4.34Å; L185-W196 HydrophobicContact CG-CZ3 4.4Å; L185-A197 HydrophobicContact CD1-CB 3.85Å
186N98.1Very high97.8Very high4 Ų437.5 Ų37.52%0.02118%0.179CC..EExtended strand (participates in β ladder)trans-115158.6174.8-7616.8000109.9P33 K34 D35 I41 H42 T44 Q184P33-N186 PolarHBondContact O-ND2 3.18Å; K34-N186 PolarHBondContact O-ND2 2.67Å; K34-N186 VanDerWaalsContact O-ND2 3.15Å; D35-N186 WeakPolarHBondContact OD1-CA 3.27Å; D35-N186 WeakPolarHBondContact OD1-CB 3.5Å; I41-N186 CarbonylContact C-O 3.18Å; I41-N186 VanDerWaalsContact CA-O 3.3Å; I41-N186 WeakPolarHBondContact CA-O 3.38Å; H42-N186 PolarHBondContact N-O 3.03Å; H42-N186 PolarHBondContact ND1-O 2.79Å; H42-N186 PolarHBondContact O-N 2.86Å; H42-N186 VanDerWaalsContact O-N 3.1Å; T44-N186 HydrophobicContact CG2-CB 3.86Å; Q184-N186 WeakPolarHBondContact CG-OD1 3.33Å; Q184-N186 PolarHBondContact NE2-OD1 2.78Å
187G97Very high97.8Very high0 Ų031.2 Ų31.20%015%0.151CC..SBendtrans87146.7-17800000113.8D35 D36 H39 I41 K193D35-G187 PolarHBondContact OD1-N 2.74Å; D36-G187 WeakPolarHBondContact O-CA 3.44Å; H39-G187 CarbonylContact O-C 3.48Å; H39-G187 VanDerWaalsContact O-C 3.29Å; H39-G187 WeakPolarHBondContact O-CA 3.48Å; I41-G187 WeakPolarHBondContact CG1-O 3.45Å; G187-K193 WeakPolarHBondContact O-CE 3.2Å; G187-K193 WeakPolarHBondContact O-CG 3.27Å
188G96.8Very high97.8Very high13 Ų1332.4 Ų32.413%0.13416%0.157CC..SBendtrans68.4177.7-176.900000114.7P37 H39 K193P37-G188 WeakPolarHBondContact O-CA 3.29Å; P37-G188 PolarHBondContact O-N 3.31Å; H39-G188 PolarHBondContact O-N 3Å; G188-K193 WeakPolarHBondContact O-CE 3.3Å
189R97.2Very high97.8Very high187 Ų18737.8 Ų37.871%0.70618%0.182SC*.  trans-78.4163.7176.8-55.717671.1-179.31.6110.2A191 D192 K193R189-A191 VanDerWaalsContact C-N 3.27Å; R189-A191 PolarHBondContact O-N 2.89Å; R189-D192 VanDerWaalsContact CB-OD2 3.29Å; R189-D192 WeakPolarHBondContact CB-OD2 3.33Å; R189-D192 PolarHBondContact N-OD2 2.82Å; R189-D192 PolarHBondContact O-N 2.86Å; R189-K193 WeakPolarHBondContact O-CG 3.39Å; R189-K193 PolarHBondContact O-N 3.49Å
190V97.3Very high97.7Very high34 Ų3439.1 Ų39.121%0.20619%0.188CC..Hα-helixtrans-58.7-39.3179.51740000111.9C157 I160 K193 V194C157-V190 WeakPolarHBondContact O-CG1 3.37Å; I160-V190 HydrophobicContact CD1-CG1 4.15Å; I160-V190 HydrophobicContact CG1-CG1 3.97Å; V190-K193 PolarHBondContact O-N 2.91Å; V190-V194 WeakPolarHBondContact O-CG2 3.23Å; V190-V194 PolarHBondContact O-N 3.38Å; V190-V194 VanDerWaalsContact O-N 3.09Å
191A97.4Very high97.7Very high33 Ų3338.6 Ų38.627%0.27319%0.186SC..Hα-helixtrans-59.3-51.7177.700000111.4K154 R189 K193 V194 D195K154-A191 HydrophobicContact CB-CB 4.4Å; K154-A191 HydrophobicContact CD-CB 4.05Å; K154-A191 HydrophobicContact CG-CB 4.3Å; R189-A191 VanDerWaalsContact C-N 3.27Å; R189-A191 PolarHBondContact O-N 2.89Å; A191-K193 VanDerWaalsContact C-N 3.27Å; A191-K193 PolarHBondContact O-N 3.36Å; A191-V194 WeakPolarHBondContact O-CB 3.43Å; A191-V194 PolarHBondContact O-N 2.8Å; A191-D195 PolarHBondContact O-N 3.12Å
192D97.4Very high97.6Very high70 Ų7042.2 Ų42.237%0.37420%0.202SC..Hα-helixtrans-59.2-39.3179.1-40.3-29.1000111.2I41 R189 V194 D195 W196I41-D192 HydrophobicContact CD1-CB 3.69Å; I41-D192 WeakPolarHBondContact CD1-O 2.99Å; R189-D192 VanDerWaalsContact CB-OD2 3.29Å; R189-D192 WeakPolarHBondContact CB-OD2 3.33Å; R189-D192 PolarHBondContact N-OD2 2.82Å; R189-D192 PolarHBondContact O-N 2.86Å; D192-V194 VanDerWaalsContact C-N 3.35Å; D192-V194 PolarHBondContact O-N 3.06Å; D192-D195 PolarHBondContact O-N 3.08Å; D192-W196 VanDerWaalsContact O-CB 3.32Å; D192-W196 WeakPolarHBondContact O-CB 3.45Å; D192-W196 PolarHBondContact O-N 3.45Å
193K98.4Very high97.5Very high2 Ų243.4 Ų43.41%0.00921%0.207CC..Hα-helixtrans-62.7-38.7174.5-69.8174.1-177.5-167.10113D35 I41 I160 L185 G187 G188 R189 V190 A191 A197D35-K193 IonicContact OD1-NZ 3.68Å; D35-K193 PolarHBondContact OD1-NZ 3.15Å; D35-K193 IonicContact OD2-NZ 3.98Å; D35-K193 PolarHBondContact OD2-NZ 3.05Å; I41-K193 HydrophobicContact CG1-CG 4.37Å; I41-K193 HydrophobicContact CG2-CG 4.43Å; I160-K193 HydrophobicContact CB-CB 4.24Å; I160-K193 HydrophobicContact CG1-CB 4.25Å; L185-K193 HydrophobicContact CB-CD 4.35Å; L185-K193 HydrophobicContact CB-CG 4.34Å; L185-K193 HydrophobicContact CD1-CB 4.42Å; L185-K193 WeakPolarHBondContact CD1-O 2.98Å; L185-K193 PolarHBondContact O-NZ 2.91Å; G187-K193 WeakPolarHBondContact O-CE 3.2Å; G187-K193 WeakPolarHBondContact O-CG 3.27Å; G188-K193 WeakPolarHBondContact O-CE 3.3Å; R189-K193 WeakPolarHBondContact O-CG 3.39Å; R189-K193 PolarHBondContact O-N 3.49Å; V190-K193 PolarHBondContact O-N 2.91Å; A191-K193 VanDerWaalsContact C-N 3.27Å; A191-K193 PolarHBondContact O-N 3.36Å; K193-A197 WeakPolarHBondContact O-CB 3.36Å; K193-A197 PolarHBondContact O-N 3.07Å
194V98.2Very high97.5Very high0 Ų046.2 Ų46.20%023%0.229CC..Hα-helixtrans-67.8-41.5176.9173.10000110.1L150 M153 K154 I160 V190 A191 D192 A197 K198L150-V194 HydrophobicContact CB-CG1 4.42Å; L150-V194 HydrophobicContact CD2-CG1 3.66Å; M153-V194 HydrophobicContact CB-CG2 3.99Å; K154-V194 HydrophobicContact CG-CB 3.9Å; K154-V194 HydrophobicContact CG-CG1 3.99Å; K154-V194 HydrophobicContact CG-CG2 4.04Å; I160-V194 HydrophobicContact CD1-CG2 3.62Å; I160-V194 HydrophobicContact CG1-CG2 3.82Å; V190-V194 WeakPolarHBondContact O-CG2 3.23Å; V190-V194 PolarHBondContact O-N 3.38Å; V190-V194 VanDerWaalsContact O-N 3.09Å; A191-V194 WeakPolarHBondContact O-CB 3.43Å; A191-V194 PolarHBondContact O-N 2.8Å; D192-V194 VanDerWaalsContact C-N 3.35Å; D192-V194 PolarHBondContact O-N 3.06Å; V194-A197 PolarHBondContact O-N 3.36Å; V194-K198 WeakPolarHBondContact O-CB 3.46Å; V194-K198 PolarHBondContact O-N 2.9Å
195D97.9Very high97.4Very high68 Ų6845.8 Ų45.836%0.36423%0.228SC..Hα-helixtrans-66.4-46.9178.5-69.6-36.7000111.6K154 A191 D192 A197 K198 E199K154-D195 WeakPolarHBondContact CE-OD1 3.26Å; K154-D195 WeakPolarHBondContact CE-OD2 3.32Å; K154-D195 IonicContact NZ-OD1 3.13Å; K154-D195 PolarHBondContact NZ-OD1 2.9Å; K154-D195 IonicContact NZ-OD2 2.82Å; K154-D195 PolarHBondContact NZ-OD2 3.36Å; A191-D195 PolarHBondContact O-N 3.12Å; D192-D195 PolarHBondContact O-N 3.08Å; D195-A197 VanDerWaalsContact C-N 3.28Å; D195-A197 PolarHBondContact O-N 2.83Å; D195-K198 WeakPolarHBondContact O-CB 3.37Å; D195-K198 PolarHBondContact O-N 3.02Å; D195-K198 VanDerWaalsContact O-N 3.15Å; D195-E199 WeakPolarHBondContact O-CB 3.12Å; D195-E199 PolarHBondContact O-N 3.33Å
196W98Very high97.4Very high49 Ų4948 Ų4819%0.18624%0.242CC..Hα-helixtrans-55.1-46.2171.8-173.596000111.2I41 L43 L185 D192 K198 E199 H200I41-W196 HydrophobicContact CB-CG 4.28Å; I41-W196 HydrophobicContact CD1-CB 3.86Å; I41-W196 HydrophobicContact CD1-CG 4.3Å; I41-W196 HydrophobicContact CG2-CB 4.05Å; I41-W196 HydrophobicContact CG2-CD2 3.85Å; I41-W196 HydrophobicContact CG2-CE3 4.39Å; I41-W196 HydrophobicContact CG2-CG 3.66Å; L43-W196 HydrophobicContact CD1-CH2 4.1Å; L43-W196 HydrophobicContact CD2-CH2 4.39Å; L43-W196 HydrophobicContact CD2-CZ3 4.44Å; L43-W196 HydrophobicContact CG-CH2 4.02Å; L185-W196 HydrophobicContact CD1-CE3 3.64Å; L185-W196 HydrophobicContact CD1-CZ3 4.07Å; L185-W196 HydrophobicContact CD2-CE3 3.68Å; L185-W196 HydrophobicContact CD2-CH2 4.12Å; L185-W196 HydrophobicContact CD2-CZ3 3.46Å; L185-W196 VanDerWaalsContact CD2-CZ3 3.46Å; L185-W196 HydrophobicContact CG-CE3 4.34Å; L185-W196 HydrophobicContact CG-CZ3 4.4Å; D192-W196 VanDerWaalsContact O-CB 3.32Å; D192-W196 WeakPolarHBondContact O-CB 3.45Å; D192-W196 PolarHBondContact O-N 3.45Å; W196-K198 VanDerWaalsContact C-N 3.35Å; W196-K198 PolarHBondContact O-N 2.91Å; W196-E199 PolarHBondContact O-N 3.39Å; W196-H200 AromaticContact CD1-CE1 3.72Å; W196-H200 AromaticContact CD1-ND1 3.97Å; W196-H200 AromaticContact CD2-CE1 3.88Å; W196-H200 AromaticContact CD2-ND1 3.55Å; W196-H200 AromaticContact CE2-CD2 3.97Å; W196-H200 AromaticContact CE2-CE1 3.34Å; W196-H200 AromaticContact CE2-CG 3.86Å; W196-H200 AromaticContact CE2-ND1 3.46Å; W196-H200 AromaticContact CE2-NE2 3.65Å; W196-H200 HydrophobicContact CE3-CB 4.29Å; W196-H200 AromaticContact CE3-ND1 3.99Å; W196-H200 AromaticContact CG-ND1 3.9Å; W196-H200 HydrophobicContact CH2-CB 4.16Å; W196-H200 AromaticContact CH2-CD2 3.79Å; W196-H200 AromaticContact CH2-CG 3.77Å; W196-H200 AromaticContact CZ2-CD2 3.54Å; W196-H200 AromaticContact CZ2-CE1 3.71Å; W196-H200 AromaticContact CZ2-CG 3.74Å; W196-H200 AromaticContact CZ2-ND1 3.83Å; W196-H200 AromaticContact CZ2-NE2 3.51Å; W196-H200 HydrophobicContact CZ3-CB 3.99Å; W196-H200 AromaticContact CZ3-CG 3.95Å; W196-H200 AromaticContact NE1-CE1 3.25Å; W196-H200 PolarHBondContact NE1-CE1 2.74Å; W196-H200 VanDerWaalsContact NE1-CE1 3.25Å; W196-H200 AromaticContact NE1-ND1 3.74Å; W196-H200 AromaticContact NE1-NE2 3.77Å; W196-H200 WeakPolarHBondContact O-CB 3.37Å; W196-H200 PolarHBondContact O-N 3.34Å; W196-H200 PolarHBondContact O-ND1 2.74Å
197A97.9Very high97.4Very high0 Ų047.8 Ų47.80%024%0.241CC..Hα-helixtrans-64.7-37.4179.800000112.7I89 V162 L185 K193 V194 D195 L201I89-A197 HydrophobicContact CD1-CB 3.64Å; I89-A197 HydrophobicContact CG1-CB 3.86Å; I89-A197 HydrophobicContact CG2-CB 4.09Å; V162-A197 HydrophobicContact CG1-CB 3.66Å; L185-A197 HydrophobicContact CD1-CB 3.85Å; K193-A197 WeakPolarHBondContact O-CB 3.36Å; K193-A197 PolarHBondContact O-N 3.07Å; V194-A197 PolarHBondContact O-N 3.36Å; D195-A197 VanDerWaalsContact C-N 3.28Å; D195-A197 PolarHBondContact O-N 2.83Å; A197-L201 WeakPolarHBondContact O-CG 3.33Å; A197-L201 PolarHBondContact O-N 3.23Å
198K97.1Very high97.4Very high85 Ų8551.3 Ų51.337%0.3727%0.266SS..Hα-helixtrans-65.4-46.8175.4-174.6-172.9-177.4-177.50110.5I89 L150 V194 D195 W196 H200 L201I89-K198 HydrophobicContact CD1-CB 4.46Å; L150-K198 HydrophobicContact CD1-CD 3.8Å; L150-K198 HydrophobicContact CD1-CG 4.45Å; V194-K198 WeakPolarHBondContact O-CB 3.46Å; V194-K198 PolarHBondContact O-N 2.9Å; D195-K198 WeakPolarHBondContact O-CB 3.37Å; D195-K198 PolarHBondContact O-N 3.02Å; D195-K198 VanDerWaalsContact O-N 3.15Å; W196-K198 VanDerWaalsContact C-N 3.35Å; W196-K198 PolarHBondContact O-N 2.91Å; K198-H200 PolarHBondContact O-N 3.4Å; K198-L201 WeakPolarHBondContact O-CB 3.25Å; K198-L201 WeakPolarHBondContact O-CG 3.24Å; K198-L201 PolarHBondContact O-N 3.21Å
199E97.4Very high97.4Very high113 Ų11354 Ų5453%0.52829%0.287SS..Hα-helixtrans-64.3-31.2179.7-162.7-154.8145.200112.5D195 W196 K203D195-E199 WeakPolarHBondContact O-CB 3.12Å; D195-E199 PolarHBondContact O-N 3.33Å; W196-E199 PolarHBondContact O-N 3.39Å; E199-K203 WeakPolarHBondContact O-CD 3.29Å; E199-K203 WeakPolarHBondContact O-CE 3.17Å; E199-K203 PolarHBondContact O-NZ 3.38Å; E199-K203 IonicContact OE1-NZ 2.8Å; E199-K203 PolarHBondContact OE1-NZ 2.77Å
200H97.1Very high97.4Very high41 Ų4145.4 Ų45.419%0.1926%0.255CS..THydrogen-bonded Turntrans-89-0.6179.9-72.171.4000113.8V86 W196 K198 E202 K203V86-H200 VanDerWaalsContact CB-O 3.27Å; V86-H200 WeakPolarHBondContact CB-O 3.47Å; W196-H200 AromaticContact CD1-CE1 3.72Å; W196-H200 AromaticContact CD1-ND1 3.97Å; W196-H200 AromaticContact CD2-CE1 3.88Å; W196-H200 AromaticContact CD2-ND1 3.55Å; W196-H200 AromaticContact CE2-CD2 3.97Å; W196-H200 AromaticContact CE2-CE1 3.34Å; W196-H200 AromaticContact CE2-CG 3.86Å; W196-H200 AromaticContact CE2-ND1 3.46Å; W196-H200 AromaticContact CE2-NE2 3.65Å; W196-H200 HydrophobicContact CE3-CB 4.29Å; W196-H200 AromaticContact CE3-ND1 3.99Å; W196-H200 AromaticContact CG-ND1 3.9Å; W196-H200 HydrophobicContact CH2-CB 4.16Å; W196-H200 AromaticContact CH2-CD2 3.79Å; W196-H200 AromaticContact CH2-CG 3.77Å; W196-H200 AromaticContact CZ2-CD2 3.54Å; W196-H200 AromaticContact CZ2-CE1 3.71Å; W196-H200 AromaticContact CZ2-CG 3.74Å; W196-H200 AromaticContact CZ2-ND1 3.83Å; W196-H200 AromaticContact CZ2-NE2 3.51Å; W196-H200 HydrophobicContact CZ3-CB 3.99Å; W196-H200 AromaticContact CZ3-CG 3.95Å; W196-H200 AromaticContact NE1-CE1 3.25Å; W196-H200 PolarHBondContact NE1-CE1 2.74Å; W196-H200 VanDerWaalsContact NE1-CE1 3.25Å; W196-H200 AromaticContact NE1-ND1 3.74Å; W196-H200 AromaticContact NE1-NE2 3.77Å; W196-H200 WeakPolarHBondContact O-CB 3.37Å; W196-H200 PolarHBondContact O-N 3.34Å; W196-H200 PolarHBondContact O-ND1 2.74Å; K198-H200 PolarHBondContact O-N 3.4Å; H200-E202 PolarHBondContact O-N 3.17Å; H200-K203 PolarHBondContact O-N 3.34Å
201L96.8Very high97.5Very high22 Ų2244 Ų4412%0.11525%0.246CC..THydrogen-bonded Turntrans-57137.2173-71.5177.5000110.5V86 I89 A107 W137 A197 K198 K203V86-L201 HydrophobicContact CG1-CD2 4.27Å; I89-L201 HydrophobicContact CD1-CD1 4.41Å; I89-L201 HydrophobicContact CD1-CD2 4.44Å; I89-L201 HydrophobicContact CD1-CG 4.49Å; I89-L201 HydrophobicContact CG1-CD2 4.05Å; A107-L201 HydrophobicContact CB-CB 4.35Å; A107-L201 HydrophobicContact CB-CD2 4.24Å; W137-L201 HydrophobicContact CH2-CD1 4.14Å; W137-L201 HydrophobicContact CZ2-CD1 4.19Å; A197-L201 WeakPolarHBondContact O-CG 3.33Å; A197-L201 PolarHBondContact O-N 3.23Å; K198-L201 WeakPolarHBondContact O-CB 3.25Å; K198-L201 WeakPolarHBondContact O-CG 3.24Å; K198-L201 PolarHBondContact O-N 3.21Å; L201-K203 PolarHBondContact O-N 2.74Å
202E95.6Very high97.4Very high77 Ų7749.4 Ų49.436%0.3626%0.261SS..THydrogen-bonded Turntrans66.1-6.4-179.4-49.6-176.4-17500115.3V86 A107 E108 H109 H200V86-E202 WeakPolarHBondContact O-CA 3.48Å; V86-E202 PolarHBondContact O-N 2.8Å; A107-E202 HydrophobicContact CB-CG 3.53Å; A107-E202 WeakPolarHBondContact CB-OE1 3.38Å; E108-E202 WeakPolarHBondContact CA-OE1 3.41Å; E108-E202 PolarHBondContact N-OE1 2.99Å; H109-E202 IonicContact CD2-OE1 3.63Å; H109-E202 IonicContact CD2-OE2 2.98Å; H109-E202 PolarHBondContact CD2-OE2 3.05Å; H109-E202 IonicContact CG-OE2 2.75Å; H109-E202 PolarHBondContact N-OE1 3.2Å; H200-E202 PolarHBondContact O-N 3.17Å
203K97.3Very high97.4Very high96 Ų9649.4 Ų49.442%0.41726%0.259SS..  trans-80.3147.2176-60.4-173.8-176.6164.20111.2V86 E199 H200 L201V86-K203 PolarHBondContact N-O 3.1Å; E199-K203 WeakPolarHBondContact O-CD 3.29Å; E199-K203 WeakPolarHBondContact O-CE 3.17Å; E199-K203 PolarHBondContact O-NZ 3.38Å; E199-K203 IonicContact OE1-NZ 2.8Å; E199-K203 PolarHBondContact OE1-NZ 2.77Å; H200-K203 PolarHBondContact O-N 3.34Å; L201-K203 PolarHBondContact O-N 2.74Å
204A97.1Very high97.3Very high59 Ų5951 Ų5149%0.48827%0.267SS..EExtended strand (participates in β ladder)trans-84.8131.717300000110P83P83-A204 HydrophobicContact CB-CB 3.99Å
205V97.9Very high97.2Very high9 Ų951.7 Ų51.76%0.05527%0.27CS..EExtended strand (participates in β ladder)trans-109117.7175.5-178.80000108.8L43 F46 P83 V84 V86 A209 V210L43-V205 HydrophobicContact CD1-CB 4.37Å; L43-V205 HydrophobicContact CD1-CG1 3.73Å; L43-V205 HydrophobicContact CD1-CG2 4.27Å; F46-V205 WeakPolarHBondContact CE2-O 3.42Å; P83-V205 WeakPolarHBondContact CA-O 3.33Å; V84-V205 HydrophobicContact CG2-CB 4.13Å; V84-V205 PolarHBondContact N-O 3.34Å; V84-V205 PolarHBondContact O-N 3.16Å; V86-V205 HydrophobicContact CG2-CG2 3.84Å; V205-A209 HydrophobicContact CG1-CB 4.16Å; V205-V210 HydrophobicContact CG1-CG2 3.91Å
206P97.9Very high97.2Very high45 Ų4549.4 Ų49.429%0.29226%0.258SS..  trans-76.7161.5175.232.8-34.8000111.2S208 A209P206-S208 VanDerWaalsContact C-N 3.27Å; P206-S208 PolarHBondContact O-N 3.06Å; P206-A209 HydrophobicContact CG-CB 4.07Å; P206-A209 PolarHBondContact O-N 3.26Å
207I97.8Very high97.2Very high0 Ų047.1 Ų47.10%025%0.249CC..G310 helixtrans-63.2-33.7179.7-174.170.9000112.8F46 T81 A209 V210 F211 I287 D329 V331 L347F46-I207 HydrophobicContact CB-CD1 3.7Å; F46-I207 HydrophobicContact CD1-CD1 3.4Å; F46-I207 HydrophobicContact CD2-CD1 3.93Å; F46-I207 HydrophobicContact CE1-CB 4.21Å; F46-I207 HydrophobicContact CE1-CD1 3.94Å; F46-I207 HydrophobicContact CE2-CB 4.39Å; F46-I207 HydrophobicContact CE2-CD1 4.37Å; F46-I207 HydrophobicContact CG-CD1 3.41Å; F46-I207 VanDerWaalsContact CG-CD1 3.41Å; F46-I207 HydrophobicContact CZ-CB 4.12Å; F46-I207 HydrophobicContact CZ-CD1 4.37Å; T81-I207 HydrophobicContact CG2-CD1 4.06Å; T81-I207 HydrophobicContact CG2-CG1 4.29Å; I207-A209 PolarHBondContact O-N 3.12Å; I207-V210 PolarHBondContact O-N 3.26Å; I207-F211 HydrophobicContact CD1-CD2 3.48Å; I207-F211 VanDerWaalsContact CD1-CD2 3.48Å; I207-F211 HydrophobicContact CD1-CE2 3.93Å; I207-F211 HydrophobicContact CG1-CD2 4.27Å; I207-F211 PolarHBondContact O-N 2.88Å; I207-I287 HydrophobicContact CG2-CG2 3.8Å; I207-D329 HydrophobicContact CG2-CB 3.94Å; I207-V331 HydrophobicContact CD1-CG2 4.01Å; I207-V331 HydrophobicContact CG1-CG2 3.52Å; I207-L347 HydrophobicContact CD1-CD1 4.26Å
208S97.2Very high97.2Very high75 Ų7547.2 Ų47.252%0.52425%0.25SC..G310 helixtrans-65.6-22.1179.951.50000113.6P206 V210P206-S208 VanDerWaalsContact C-N 3.27Å; P206-S208 PolarHBondContact O-N 3.06Å; S208-V210 VanDerWaalsContact C-N 3.3Å
209A96.8Very high97.3Very high69 Ų6943.1 Ų43.157%0.5723%0.232SC*.G310 helixtrans-79.9-13.2173.900000112.7V205 P206 I207V205-A209 HydrophobicContact CG1-CB 4.16Å; P206-A209 HydrophobicContact CG-CB 4.07Å; P206-A209 PolarHBondContact O-N 3.26Å; I207-A209 PolarHBondContact O-N 3.12Å
210V97.8Very high97.4Very high7 Ų737.8 Ų37.84%0.04221%0.207CC..THydrogen-bonded Turntrans-109-44.5-175.2-1770000111.7L43 F46 V205 I207 S208 K349L43-V210 HydrophobicContact CB-CG1 4Å; L43-V210 HydrophobicContact CB-CG2 3.91Å; L43-V210 HydrophobicContact CD1-CG2 3.88Å; F46-V210 HydrophobicContact CD2-CB 4.37Å; F46-V210 HydrophobicContact CD2-CG2 3.91Å; F46-V210 HydrophobicContact CE2-CG2 4.41Å; V205-V210 HydrophobicContact CG1-CG2 3.91Å; I207-V210 PolarHBondContact O-N 3.26Å; S208-V210 VanDerWaalsContact C-N 3.3Å; V210-K349 WeakPolarHBondContact O-CE 3.29Å; V210-K349 PolarHBondContact O-NZ 3.28Å
211F98.2Very high97.4Very high4 Ų435.8 Ų35.82%0.01820%0.198CC..  trans-119.1151.8178.8-61.1-76.9000110.4F46 I207 E215 I217 I284 I287 L347 K349F46-F211 HydrophobicContact CB-CD2 4.42Å; F46-F211 HydrophobicContact CB-CE2 3.67Å; I207-F211 HydrophobicContact CD1-CD2 3.48Å; I207-F211 VanDerWaalsContact CD1-CD2 3.48Å; I207-F211 HydrophobicContact CD1-CE2 3.93Å; I207-F211 HydrophobicContact CG1-CD2 4.27Å; I207-F211 PolarHBondContact O-N 2.88Å; F211-E215 WeakPolarHBondContact CA-OE2 3.43Å; F211-E215 WeakPolarHBondContact CD1-OE2 3.31Å; F211-I217 HydrophobicContact CD1-CG2 3.38Å; F211-I217 HydrophobicContact CE1-CB 4.27Å; F211-I217 HydrophobicContact CE1-CG2 3.47Å; F211-I217 VanDerWaalsContact CE1-CG2 3.47Å; F211-I217 HydrophobicContact CG-CG2 4.24Å; F211-I217 HydrophobicContact CZ-CG2 4.39Å; F211-I284 HydrophobicContact CB-CD1 3.83Å; F211-I284 HydrophobicContact CG-CD1 4.29Å; F211-I287 HydrophobicContact CB-CD1 4.19Å; F211-I287 WeakPolarHBondContact O-CD1 3.19Å; F211-L347 HydrophobicContact CE2-CB 3.8Å; F211-L347 HydrophobicContact CZ-CB 3.85Å; F211-K349 HydrophobicContact CD1-CG 4.07Å; F211-K349 HydrophobicContact CE1-CB 4.4Å; F211-K349 HydrophobicContact CE1-CG 3.61Å
212Y96.1Very high97.5Very high147 Ų14734.8 Ų34.858%0.57619%0.192SC*.  trans-112.1162.9175.460.1-85.4000111.3E215Y212-E215 HydrophobicContact CD1-CB 4.04Å; Y212-E215 HydrophobicContact CD1-CG 4.15Å; Y212-E215 WeakPolarHBondContact CD1-OE2 3.47Å; Y212-E215 HydrophobicContact CD2-CB 3.92Å; Y212-E215 HydrophobicContact CE1-CB 3.83Å; Y212-E215 HydrophobicContact CE1-CG 3.57Å; Y212-E215 WeakPolarHBondContact CE1-OE2 3.31Å; Y212-E215 HydrophobicContact CE2-CB 3.69Å; Y212-E215 HydrophobicContact CE2-CG 4.18Å; Y212-E215 HydrophobicContact CG-CB 4.07Å; Y212-E215 PolarHBondContact N-OE2 2.86Å; Y212-E215 VanDerWaalsContact N-OE2 3.15Å; Y212-E215 VanDerWaalsContact O-CB 3.27Å; Y212-E215 WeakPolarHBondContact O-CB 3.13Å; Y212-E215 PolarHBondContact O-N 3.35Å
213Q96.4Very high97.7Very high70 Ų7032.4 Ų32.433%0.32718%0.183SC..THydrogen-bonded Turntrans-58.2142.6176.2-177.457.340.200110.3E215 F285Q213-E215 PolarHBondContact O-N 2.65Å; Q213-F285 PolarHBondContact NE2-O 3.1Å
214D96.3Very high97.7Very high36 Ų3633.7 Ų33.719%0.19319%0.189CC..THydrogen-bonded Turntrans653.7-179.4-50.2-26.6000115.6K283 I284 S362 I363D214-K283 WeakPolarHBondContact O-CD 3.29Å; D214-K283 VanDerWaalsContact O-CE 3.27Å; D214-K283 WeakPolarHBondContact O-CE 3.33Å; D214-K283 PolarHBondContact O-NZ 3.38Å; D214-I284 WeakPolarHBondContact CA-O 3.36Å; D214-I284 PolarHBondContact N-O 3.4Å; D214-S362 VanDerWaalsContact OD2-CA 3.3Å; D214-S362 WeakPolarHBondContact OD2-CA 3.14Å; D214-I363 VanDerWaalsContact CG-N 3.3Å; D214-I363 WeakPolarHBondContact OD1-CB 3.41Å; D214-I363 WeakPolarHBondContact OD1-CG1 3.27Å; D214-I363 PolarHBondContact OD1-N 2.54Å; D214-I363 PolarHBondContact OD2-N 2.69Å
215E96.6Very high97.8Very high13 Ų1332.7 Ų32.76%0.06118%0.184CC..  trans-65.8147.7171.6-169.7176.3177.800110.9F211 Y212 Q213 I217 I284 K349F211-E215 WeakPolarHBondContact CA-OE2 3.43Å; F211-E215 WeakPolarHBondContact CD1-OE2 3.31Å; Y212-E215 HydrophobicContact CD1-CB 4.04Å; Y212-E215 HydrophobicContact CD1-CG 4.15Å; Y212-E215 WeakPolarHBondContact CD1-OE2 3.47Å; Y212-E215 HydrophobicContact CD2-CB 3.92Å; Y212-E215 HydrophobicContact CE1-CB 3.83Å; Y212-E215 HydrophobicContact CE1-CG 3.57Å; Y212-E215 WeakPolarHBondContact CE1-OE2 3.31Å; Y212-E215 HydrophobicContact CE2-CB 3.69Å; Y212-E215 HydrophobicContact CE2-CG 4.18Å; Y212-E215 HydrophobicContact CG-CB 4.07Å; Y212-E215 PolarHBondContact N-OE2 2.86Å; Y212-E215 VanDerWaalsContact N-OE2 3.15Å; Y212-E215 VanDerWaalsContact O-CB 3.27Å; Y212-E215 WeakPolarHBondContact O-CB 3.13Å; Y212-E215 PolarHBondContact O-N 3.35Å; Q213-E215 PolarHBondContact O-N 2.65Å; E215-I217 HydrophobicContact CG-CG2 4.25Å; E215-I284 HydrophobicContact CB-CD1 4.44Å; E215-I284 PolarHBondContact O-N 2.8Å; E215-K349 VanDerWaalsContact CD-NZ 3.35Å; E215-K349 WeakPolarHBondContact OE1-CG 3.4Å; E215-K349 IonicContact OE1-NZ 3.15Å; E215-K349 PolarHBondContact OE1-NZ 3.04Å; E215-K349 IonicContact OE2-NZ 3.45Å; E215-K349 PolarHBondContact OE2-NZ 2.81Å
216M97.9Very high97.8Very high21 Ų2136.5 Ų36.510%0.10320%0.201CC..EExtended strand (participates in β ladder)trans-98.2123.2170.9-73.6-80.9-92.100109.3N281 K283 L354 A359M216-N281 HydrophobicContact CE-CB 3.54Å; M216-N281 WeakPolarHBondContact CE-O 3.41Å; M216-K283 HydrophobicContact CG-CD 3.89Å; M216-K283 WeakPolarHBondContact SD-CA 3.44Å; M216-K283 HydrophobicContact SD-CB 3.53Å; M216-K283 VanDerWaalsContact SD-CB 3.53Å; M216-K283 HydrophobicContact SD-CD 3.63Å; M216-K283 HydrophobicContact SD-CG 4.16Å; M216-K283 PolarHBondContact SD-N 3.34Å; M216-K283 VanDerWaalsContact SD-N 3.35Å; M216-L354 HydrophobicContact CB-CD1 3.16Å; M216-L354 HydrophobicContact CG-CD1 3.81Å; M216-A359 HydrophobicContact CE-CB 4.23Å; M216-A359 HydrophobicContact CG-CB 4.09Å
217I98.2Very high97.8Very high0 Ų036 Ų360%020%0.203CC..EExtended strand (participates in β ladder)trans-119.1164.8-175.662.8164.7000111.7F211 E215 V219 N281 K282 I284 V333 L347F211-I217 HydrophobicContact CD1-CG2 3.38Å; F211-I217 HydrophobicContact CE1-CB 4.27Å; F211-I217 HydrophobicContact CE1-CG2 3.47Å; F211-I217 VanDerWaalsContact CE1-CG2 3.47Å; F211-I217 HydrophobicContact CG-CG2 4.24Å; F211-I217 HydrophobicContact CZ-CG2 4.39Å; E215-I217 HydrophobicContact CG-CG2 4.25Å; I217-V219 HydrophobicContact CD1-CG2 4.33Å; I217-N281 PolarHBondContact O-N 2.93Å; I217-K282 HydrophobicContact CG1-CB 4.3Å; I217-K282 VanDerWaalsContact CG1-O 3.3Å; I217-K282 WeakPolarHBondContact CG1-O 3.33Å; I217-K282 PolarHBondContact N-O 2.8Å; I217-K282 WeakPolarHBondContact O-CB 3.38Å; I217-K282 PolarHBondContact O-N 3.15Å; I217-I284 HydrophobicContact CD1-CD1 4.14Å; I217-I284 HydrophobicContact CD1-CG1 4.04Å; I217-I284 HydrophobicContact CG1-CD1 4.4Å; I217-I284 HydrophobicContact CG1-CG1 4.09Å; I217-I284 HydrophobicContact CG2-CD1 3.73Å; I217-I284 HydrophobicContact CG2-CG1 4.18Å; I217-V333 HydrophobicContact CD1-CG2 4.25Å; I217-L347 HydrophobicContact CD1-CB 4.22Å; I217-L347 HydrophobicContact CD1-CD1 4.32Å; I217-L347 HydrophobicContact CD1-CD2 4.01Å; I217-L347 HydrophobicContact CD1-CG 4.4Å
218D98.6Very high97.8Very high2 Ų243.3 Ų43.31%0.01124%0.236CC..EExtended strand (participates in β ladder)trans-105130.1171.7-59.8-25.6000109.8T278 E279 I280 N281 R348D218-T278 HydrophobicContact CB-CG2 4.3Å; D218-E279 CarbonylContact C-O 3.45Å; D218-E279 WeakPolarHBondContact CA-O 3.4Å; D218-I280 WeakPolarHBondContact OD1-CA 3.04Å; D218-I280 VanDerWaalsContact OD1-CB 3.26Å; D218-I280 WeakPolarHBondContact OD1-CB 3.4Å; D218-I280 WeakPolarHBondContact OD1-CG2 3.2Å; D218-N281 PolarHBondContact OD1-N 3.44Å; D218-R348 HydrophobicContact CB-CB 4.43Å; D218-R348 PolarHBondContact N-O 2.9Å; D218-R348 PolarHBondContact O-N 3Å; D218-R348 IonicContact OD2-CZ 2.72Å; D218-R348 IonicContact OD2-NE 2.64Å; D218-R348 PolarHBondContact OD2-NE 2.67Å; D218-R348 IonicContact OD2-NH2 2.57Å; D218-R348 PolarHBondContact OD2-NH2 3.38Å
219V98.8Very high97.9Very high0 Ų043.8 Ų43.80%023%0.228CC..EExtended strand (participates in β ladder)trans-104.9115.7178.5-175.70000109.4I217 E279 K282 V337 L345 L347I217-V219 HydrophobicContact CD1-CG2 4.33Å; V219-E279 PolarHBondContact N-O 3.16Å; V219-E279 PolarHBondContact O-N 2.87Å; V219-K282 HydrophobicContact CG2-CB 4.19Å; V219-K282 HydrophobicContact CG2-CG 4.01Å; V219-V337 HydrophobicContact CB-CG1 4.48Å; V219-V337 HydrophobicContact CG1-CB 4.07Å; V219-V337 HydrophobicContact CG1-CG1 4.3Å; V219-V337 HydrophobicContact CG2-CG1 4.18Å; V219-L345 HydrophobicContact CG1-CB 4.24Å; V219-L345 HydrophobicContact CG1-CD1 3.96Å; V219-L345 HydrophobicContact CG1-CD2 4.35Å; V219-L345 HydrophobicContact CG1-CG 4.42Å; V219-L347 HydrophobicContact CG1-CD2 4.2Å; V219-L347 HydrophobicContact CG2-CD2 3.92Å
220I98.8Very high97.9Very high0 Ų042.2 Ų42.20%022%0.219CC..EExtended strand (participates in β ladder)trans-110.5127.4-176.7-51.8177.7000109.2V29 H276 R277 T278 T346 R348V29-I220 HydrophobicContact CG2-CD1 4.14Å; I220-H276 WeakPolarHBondContact CG2-NE2 3.25Å; I220-R277 WeakPolarHBondContact CA-O 3.44Å; I220-T278 HydrophobicContact CD1-CG2 4.33Å; I220-T278 HydrophobicContact CG1-CG2 3.82Å; I220-T346 PolarHBondContact N-O 3.5Å; I220-T346 PolarHBondContact O-N 3.01Å; I220-R348 HydrophobicContact CD1-CB 4.22Å
221G98.4Very high97.9Very high0 Ų042.4 Ų42.40%022%0.22CC..EExtended strand (participates in β ladder)trans-164.8-174.9-178.100000113.9H276 R277G221-H276 WeakPolarHBondContact O-CA 3.18Å; G221-R277 PolarHBondContact N-O 3.3Å; G221-R277 PolarHBondContact O-N 2.9Å
222V98.4Very high97.9Very high0 Ų043.2 Ų43.20%023%0.225CC..EExtended strand (participates in β ladder)trans-107.6125.7173.21780000108.5K24 H25 Y274 Q275 G339K24-V222 WeakPolarHBondContact O-CG2 3.3Å; H25-V222 VanDerWaalsContact O-CG2 3.25Å; H25-V222 WeakPolarHBondContact O-CG2 3.32Å; V222-Y274 HydrophobicContact CG1-CD1 4.13Å; V222-Y274 HydrophobicContact CG1-CD2 3.77Å; V222-Y274 HydrophobicContact CG1-CE1 4.35Å; V222-Y274 HydrophobicContact CG1-CE2 4.02Å; V222-Y274 HydrophobicContact CG1-CG 3.84Å; V222-Q275 WeakPolarHBondContact CA-O 3.28Å; V222-G339 WeakPolarHBondContact O-CA 3.42Å
223T98.5Very high98Very high27 Ų2738.1 Ų38.117%0.16621%0.211CC..PPolyproline II helixtrans-63.1163.6-177.760.10000112.5G225 Y274 Q275 R277 V338T223-G225 PolarHBondContact O-N 2.77Å; T223-Y274 VanDerWaalsContact O-CA 3.31Å; T223-Y274 WeakPolarHBondContact O-CA 3.46Å; T223-Y274 PolarHBondContact O-N 3.11Å; T223-Y274 PolarHBondContact OG1-N 2.81Å; T223-Q275 PolarHBondContact N-O 3.43Å; T223-Q275 PolarHBondContact OG1-N 3.18Å; T223-Q275 PolarHBondContact OG1-O 3.16Å; T223-R277 HydrophobicContact CG2-CB 4.17Å; T223-R277 HydrophobicContact CG2-CG 3.64Å; T223-V338 HydrophobicContact CG2-CB 4.22Å; T223-V338 HydrophobicContact CG2-CG1 3.9Å
224K98.4Very high98.1Very high124 Ų12436.1 Ų36.154%0.53920%0.201SC..PPolyproline II helixtrans-58.2135.9172.5-170.2174.6179.5-178.60109.7G273 Y274K224-G273 CarbonylContact O-C 3.59Å; K224-G273 WeakPolarHBondContact O-CA 3.43Å; K224-Y274 PolarHBondContact O-N 3.16Å
225G98Very high98.2Very high37 Ų3734.9 Ų34.938%0.38119%0.193SC..EExtended strand (participates in β ladder)trans-80.4139.6176.200000111.1T223T223-G225 PolarHBondContact O-N 2.77Å
226H98.1Very high98.2Very high90 Ų9040.4 Ų40.442%0.41722%0.219SC..EExtended strand (participates in β ladder)trans-123.42.8174.7-58.6-75.1000113K229 K272H226-K229 HydrophobicContact CB-CG 4.44Å; H226-K229 WeakPolarHBondContact O-CE 3.2Å; H226-K272 WeakPolarHBondContact CA-O 3.47Å; H226-K272 HydrophobicContact CB-CB 4.23Å; H226-K272 HydrophobicContact CB-CD 4.46Å; H226-K272 HydrophobicContact CB-CG 4.34Å; H226-K272 WeakPolarHBondContact CB-O 3.42Å; H226-K272 PolarHBondContact N-O 3.17Å
227G98Very high98.2Very high33 Ų3340 Ų4034%0.3422%0.218SC..EExtended strand (participates in β ladder)trans70.4-155.9-179.500000113.4Q271 K272G227-Q271 PolarHBondContact O-OE1 2.76Å; G227-K272 PolarHBondContact N-O 3.07Å; G227-K272 PolarHBondContact O-N 2.97Å
228F98.5Very high98.2Very high155 Ų15548.7 Ų48.768%0.6826%0.255SS*.EExtended strand (participates in β ladder)trans-72.3129.1175.6-165-83.3000110.3A269F228-A269 HydrophobicContact CE1-CB 3.9Å; F228-A269 HydrophobicContact CZ-CB 3.99Å
229K98.6Very high98.2Very high84 Ų8454.1 Ų54.137%0.36528%0.279SS..EExtended strand (participates in β ladder)trans-136.4144.1179.8-68-62.7179.4-161.60111.3H226 R234 A269 G270 K272H226-K229 HydrophobicContact CB-CG 4.44Å; H226-K229 WeakPolarHBondContact O-CE 3.2Å; K229-R234 HydrophobicContact CB-CB 4.42Å; K229-A269 WeakPolarHBondContact O-CA 3.23Å; K229-G270 PolarHBondContact N-O 2.73Å; K229-G270 PolarHBondContact O-N 2.74Å; K229-K272 HydrophobicContact CB-CB 3.9Å; K229-K272 HydrophobicContact CB-CD 4.34Å; K229-K272 HydrophobicContact CG-CB 3.76Å; K229-K272 HydrophobicContact CG-CD 4.07Å
230G98.1Very high98.1Very high36 Ų3656 Ų5637%0.37129%0.288SS..  trans-66.6167.6172.300000113.3T232 S233 R234G230-T232 VanDerWaalsContact C-N 3.33Å; G230-T232 PolarHBondContact O-N 3.34Å; G230-S233 PolarHBondContact O-N 2.93Å; G230-S233 VanDerWaalsContact O-N 3.16Å; G230-R234 VanDerWaalsContact O-CB 3.31Å; G230-R234 WeakPolarHBondContact O-CB 2.97Å; G230-R234 PolarHBondContact O-N 2.83Å
231V98.1Very high98.1Very high12 Ų1260.5 Ų60.57%0.07332%0.318CS..Hα-helixtrans-58.4-38.6-174.5-65.50000113.5S233 R234 W235 H236 T237 V251 A267 R268V231-S233 VanDerWaalsContact C-N 3.34Å; V231-S233 PolarHBondContact O-N 3.46Å; V231-R234 PolarHBondContact O-N 2.89Å; V231-W235 WeakPolarHBondContact O-CA 3.35Å; V231-W235 WeakPolarHBondContact O-CB 3.48Å; V231-W235 PolarHBondContact O-N 3.27Å; V231-H236 PolarHBondContact O-N 2.73Å; V231-T237 HydrophobicContact CB-CG2 4.47Å; V231-V251 HydrophobicContact CB-CG2 4.13Å; V231-V251 HydrophobicContact CG1-CG2 4.2Å; V231-V251 HydrophobicContact CG2-CG2 4.03Å; V231-A267 VanDerWaalsContact CG1-O 3.24Å; V231-A267 WeakPolarHBondContact CG1-O 3.28Å; V231-R268 VanDerWaalsContact CG1-C 3.43Å
232T98.1Very high98.1Very high20 Ų2070 Ų7012%0.12335%0.354CS..Hα-helixtrans-61-40.7178.2-50.30000112G230 H236 K239G230-T232 VanDerWaalsContact C-N 3.33Å; G230-T232 PolarHBondContact O-N 3.34Å; T232-H236 WeakPolarHBondContact O-CA 3.38Å; T232-H236 PolarHBondContact O-N 2.82Å; T232-H236 VanDerWaalsContact O-N 3.17Å; T232-K239 HydrophobicContact CG2-CG 3.93Å
233S98.1Very high98Very high40 Ų4078.6 Ų78.628%0.2839%0.391SS..Hα-helixtrans-84.1-38.7178-173.50000111.9G230 V231 K272G230-S233 PolarHBondContact O-N 2.93Å; G230-S233 VanDerWaalsContact O-N 3.16Å; V231-S233 VanDerWaalsContact C-N 3.34Å; V231-S233 PolarHBondContact O-N 3.46Å; S233-K272 VanDerWaalsContact O-CE 3.28Å; S233-K272 WeakPolarHBondContact O-CE 3.41Å; S233-K272 PolarHBondContact O-NZ 2.78Å; S233-K272 PolarHBondContact OG-NZ 2.8Å
234R97.9Very high97.9Very high29 Ų2979.3 Ų79.311%0.10940%0.395CS..Hα-helixtrans-73.5-41.3-175-170.4179.2-175.6-144.63.5112R19 K229 G230 V231 R268 A269 Q271 K272R19-R234 PolarHBondContact NH1-O 3.13Å; R19-R234 PolarHBondContact NH2-O 2.95Å; R19-R234 PolarHBondContact O-NH2 3.39Å; K229-R234 HydrophobicContact CB-CB 4.42Å; G230-R234 VanDerWaalsContact O-CB 3.31Å; G230-R234 WeakPolarHBondContact O-CB 2.97Å; G230-R234 PolarHBondContact O-N 2.83Å; V231-R234 PolarHBondContact O-N 2.89Å; R234-R268 WeakPolarHBondContact CD-O 3.47Å; R234-R268 PolarHBondContact NH1-O 3.16Å; R234-A269 PolarHBondContact NH1-O 3.26Å; R234-Q271 PolarHBondContact NE-O 3.5Å; R234-K272 HydrophobicContact CG-CB 4.39Å
235W97.8Very high97.8Very high10 Ų1080.6 Ų80.64%0.03840%0.403CS..Hα-helixtrans-118.2-4-172.6-66.9100.9000113.9L17 V231 T237 A267 R268L17-W235 HydrophobicContact CD2-CH2 4.04Å; L17-W235 HydrophobicContact CD2-CZ2 4.23Å; L17-W235 HydrophobicContact CG-CH2 4.45Å; V231-W235 WeakPolarHBondContact O-CA 3.35Å; V231-W235 WeakPolarHBondContact O-CB 3.48Å; V231-W235 PolarHBondContact O-N 3.27Å; W235-T237 VanDerWaalsContact C-N 3.25Å; W235-T237 HydrophobicContact CB-CG2 4.01Å; W235-T237 PolarHBondContact O-N 2.75Å; W235-A267 HydrophobicContact CB-CB 3.76Å; W235-A267 HydrophobicContact CD2-CB 4.05Å; W235-A267 HydrophobicContact CG-CB 3.57Å; W235-R268 PolarHBondContact NE1-O 3.41Å
236H97.8Very high97.6Very high129 Ų12987 Ų8760%0.59742%0.421SS*.  trans60.935-180-53.6-83.6000112.9H11 V231 T232H11-H236 PolarHBondContact ND1-O 3.37Å; V231-H236 PolarHBondContact O-N 2.73Å; T232-H236 WeakPolarHBondContact O-CA 3.38Å; T232-H236 PolarHBondContact O-N 2.82Å; T232-H236 VanDerWaalsContact O-N 3.17Å
237T97.5Very high97.5Very high13 Ų1384.8 Ų84.88%0.0842%0.421CS..PPolyproline II helixtrans-69.7145.4173.7620000110.5H11 V231 W235 V251 A267H11-T237 HydrophobicContact CB-CG2 4.32Å; V231-T237 HydrophobicContact CB-CG2 4.47Å; W235-T237 VanDerWaalsContact C-N 3.25Å; W235-T237 HydrophobicContact CB-CG2 4.01Å; W235-T237 PolarHBondContact O-N 2.75Å; T237-V251 HydrophobicContact CG2-CG2 4.06Å; T237-A267 HydrophobicContact CG2-CB 3.89Å
238K97.7Very high97.5Very high182 Ų18285.5 Ų85.579%0.79142%0.417SS*.PPolyproline II helixtrans-56.7141.2174.1-166.2174.4179.3176.20110.2
239K98.1Very high97.4Very high115 Ų11585.6 Ų85.650%0.541%0.413SS..PPolyproline II helixtrans-70.4146.3171-68.8170.862.6-170.40109T232 L248T232-K239 HydrophobicContact CG2-CG 3.93Å; K239-L248 HydrophobicContact CB-CD1 4.13Å; K239-L248 HydrophobicContact CD-CD1 4.25Å; K239-L248 HydrophobicContact CG-CD1 4.21Å
240L98.2Very high97.4Very high39 Ų3985.1 Ų85.120%0.20441%0.411CS..PPolyproline II helixtrans-72.4163.1171.4-57.6-179.1000110.7T244 L248 K250 A252L240-T244 HydrophobicContact CB-CG2 4.2Å; L240-T244 WeakPolarHBondContact CB-OG1 3.28Å; L240-T244 HydrophobicContact CD1-CG2 3.86Å; L240-L248 HydrophobicContact CB-CB 4.28Å; L240-L248 PolarHBondContact N-O 2.98Å; L240-K250 HydrophobicContact CD1-CD 4.26Å; L240-K250 HydrophobicContact CD1-CG 3.55Å; L240-A252 HydrophobicContact CD1-CB 4.34Å; L240-A252 HydrophobicContact CD2-CB 3.95Å
241P98.4Very high97.4Very high96 Ų9685.4 Ų85.462%0.62341%0.406SS*.PPolyproline II helixtrans-53.4154.3176.9-27.436.4000113.1K243 T244P241-K243 VanDerWaalsContact C-N 3.3Å; P241-K243 PolarHBondContact O-N 3.2Å; P241-T244 WeakPolarHBondContact O-CB 3.32Å; P241-T244 PolarHBondContact O-N 3.3Å; P241-T244 PolarHBondContact O-OG1 3.41Å
242R97.6Very high97.3Very high199 Ų19988.7 Ų88.775%0.75143%0.434SS*.THydrogen-bonded Turntrans-55.5-43.1-176.9-173.1-175.26476.6-7.8112.5T244R242-T244 PolarHBondContact O-N 3.07Å; R242-T244 VanDerWaalsContact O-N 3.11Å
243K96.8Very high97.2Very high180 Ų18092.3 Ų92.378%0.78346%0.459SS*.THydrogen-bonded Turntrans-82.633.9-178.7-60.7-174.7177.5-1770113.3P241P241-K243 VanDerWaalsContact C-N 3.3Å; P241-K243 PolarHBondContact O-N 3.2Å
244T96.9Very high97.2Very high42 Ų4293.8 Ų93.826%0.25846%0.463SS..  trans-88125.2177.6-560000110.5L240 P241 R242L240-T244 HydrophobicContact CB-CG2 4.2Å; L240-T244 WeakPolarHBondContact CB-OG1 3.28Å; L240-T244 HydrophobicContact CD1-CG2 3.86Å; P241-T244 WeakPolarHBondContact O-CB 3.32Å; P241-T244 PolarHBondContact O-N 3.3Å; P241-T244 PolarHBondContact O-OG1 3.41Å; R242-T244 PolarHBondContact O-N 3.07Å; R242-T244 VanDerWaalsContact O-N 3.11Å
245H95.4Very high97Very high151 Ų15194.2 Ų94.270%0.69948%0.476SS*.THydrogen-bonded Turntrans-69145.3174.3-170.5-131.6000112.2G247 K250H245-G247 VanDerWaalsContact C-N 3.35Å; H245-G247 PolarHBondContact O-N 2.75Å; H245-K250 PolarHBondContact O-NZ 2.57Å; H245-K250 VanDerWaalsContact O-NZ 3.08Å
246K94.4Very high96.9Very high173 Ų17397.4 Ų97.475%0.75251%0.505SS*.THydrogen-bonded Turntrans56.742.6-179.1-58.5177-179.5-178.90113.5K250K246-K250 PolarHBondContact O-NZ 2.81Å
247G95.8Very high96.8Very high42 Ų42101.5 Ų101.543%0.43352%0.516SS..  trans87.3144.2167.300000115.9H245 K250H245-G247 VanDerWaalsContact C-N 3.35Å; H245-G247 PolarHBondContact O-N 2.75Å; G247-K250 WeakPolarHBondContact O-CD 3.24Å; G247-K250 WeakPolarHBondContact O-CE 3.37Å; G247-K250 PolarHBondContact O-NZ 3.35Å
248L97.4Very high96.7Very high49 Ų49107.6 Ų107.626%0.25754%0.543SS..SBendtrans-102-9.5-171.663.586.4000115.1K239 L240 K250K239-L248 HydrophobicContact CB-CD1 4.13Å; K239-L248 HydrophobicContact CD-CD1 4.25Å; K239-L248 HydrophobicContact CG-CD1 4.21Å; L240-L248 HydrophobicContact CB-CB 4.28Å; L240-L248 PolarHBondContact N-O 2.98Å; L248-K250 PolarHBondContact O-N 3.26Å
249R97.8Very high96.6Very high156 Ų156103 Ų10359%0.58953%0.531SS*.SBendtrans-9949.4-175.2-57.2-172.679.2130.63.1112.2
250K97.6Very high96.5Very high75 Ų75102 Ų10233%0.32655%0.545SS..SBendtrans-133167.5-176.265.4-171.1179.4-166.60111.3L240 H245 K246 G247 L248L240-K250 HydrophobicContact CD1-CD 4.26Å; L240-K250 HydrophobicContact CD1-CG 3.55Å; H245-K250 PolarHBondContact O-NZ 2.57Å; H245-K250 VanDerWaalsContact O-NZ 3.08Å; K246-K250 PolarHBondContact O-NZ 2.81Å; G247-K250 WeakPolarHBondContact O-CD 3.24Å; G247-K250 WeakPolarHBondContact O-CE 3.37Å; G247-K250 PolarHBondContact O-NZ 3.35Å; L248-K250 PolarHBondContact O-N 3.26Å
251V97.7Very high96.4Very high42 Ų42109.7 Ų109.726%0.25557%0.571SS.*  trans-85.6130.9163.6179.90000106.4V231 T237 C253 I254 A267V231-V251 HydrophobicContact CB-CG2 4.13Å; V231-V251 HydrophobicContact CG1-CG2 4.2Å; V231-V251 HydrophobicContact CG2-CG2 4.03Å; T237-V251 HydrophobicContact CG2-CG2 4.06Å; V251-C253 VanDerWaalsContact CG1-O 3.25Å; V251-C253 WeakPolarHBondContact CG1-O 3.03Å; V251-I254 HydrophobicContact CB-CG2 4.39Å; V251-I254 HydrophobicContact CG1-CG2 4.42Å; V251-A267 HydrophobicContact CG2-CB 4.09Å
252A96.8Very high96.4Very high81 Ų81108.4 Ų108.467%0.66956%0.561SS**SBendtrans-68.5-58.3-17700000112L240L240-A252 HydrophobicContact CD1-CB 4.34Å; L240-A252 HydrophobicContact CD2-CB 3.95Å
253C95.8Very high96.3Very high95 Ų95100.7 Ų100.764%0.64254%0.54SS*.  trans-107.2125.9178.1175.50000110.2V251 G255V251-C253 VanDerWaalsContact CG1-O 3.25Å; V251-C253 WeakPolarHBondContact CG1-O 3.03Å; C253-G255 PolarHBondContact SG-O 2.75Å
254I97.1Very high96.3Very high71 Ų71100 Ų10036%0.36454%0.537SS..  trans-107.121.5-177.862.3166.7000113.4V251 V262 I266V251-I254 HydrophobicContact CB-CG2 4.39Å; V251-I254 HydrophobicContact CG1-CG2 4.42Å; I254-V262 HydrophobicContact CD1-CG2 3.94Å; I254-V262 HydrophobicContact CG1-CG2 4.48Å; I254-I266 VanDerWaalsContact C-CD1 3.41Å; I254-I266 HydrophobicContact CB-CG2 4.18Å; I254-I266 HydrophobicContact CG2-CG2 4.32Å; I254-I266 WeakPolarHBondContact O-CD1 3.46Å
255G95.6Very high96.3Very high38 Ų38100.1 Ų100.139%0.39254%0.538SS..  trans147.7156.7-179.700000111.3C253C253-G255 PolarHBondContact SG-O 2.75Å
256A95.4Very high96.3Very high78 Ų7894.6 Ų94.665%0.64551%0.513SS*.  trans-74.9172.6165.200000110.1
257W95Very high96.5Very high215 Ų21587 Ų8781%0.81448%0.483SS*.SBendtrans-62.4-51.4173.3-174.4-8.5000110.8P259 A260W257-P259 CarbonylContact O-C 3.55Å; W257-A260 VanDerWaalsContact O-CA 3.29Å; W257-A260 WeakPolarHBondContact O-CA 3.46Å; W257-A260 PolarHBondContact O-N 2.91Å
258H94.7Very high96.6Very high141 Ų14191 Ų9165%0.65349%0.485SS*.SBendtrans-108.1122.6174.6-6392.1000108.8
259P95.3Very high96.6Very high85 Ų8590.8 Ų90.855%0.55249%0.49SS*.SBendcis-75.5142.75.231.3-35.7000113.5W257 R261W257-P259 CarbonylContact O-C 3.55Å; P259-R261 HydrophobicContact CB-CG 4.4Å; P259-R261 PolarHBondContact O-N 3.39Å
260A96.6Very high96.7Very high94 Ų9483.7 Ų83.778%0.77747%0.465SS*.SBendtrans-74.445.4-177.400000113.8W257W257-A260 VanDerWaalsContact O-CA 3.29Å; W257-A260 WeakPolarHBondContact O-CA 3.46Å; W257-A260 PolarHBondContact O-N 2.91Å
261R97Very high96.7Very high201 Ų20182.1 Ų82.176%0.75846%0.459SS*.SBendtrans-151.4145.2176.765.1-176.1-175.7179.9-1.4110.8P259 A263P259-R261 HydrophobicContact CB-CG 4.4Å; P259-R261 PolarHBondContact O-N 3.39Å; R261-A263 PolarHBondContact O-N 2.91Å
262V97.3Very high96.7Very high69 Ų6982 Ų8242%0.41846%0.455SS..  trans-72.9118.3172.8-1770000109.5I254 I266I254-V262 HydrophobicContact CD1-CG2 3.94Å; I254-V262 HydrophobicContact CG1-CG2 4.48Å; V262-I266 HydrophobicContact CG1-CB 4.3Å; V262-I266 HydrophobicContact CG1-CD1 4.17Å
263A96.6Very high96.8Very high37 Ų3778.4 Ų78.431%0.30643%0.426SS..  trans-65.9142.4178.400000112.1R261 T265 I266R261-A263 PolarHBondContact O-N 2.91Å; A263-T265 PolarHBondContact O-N 3.05Å; A263-I266 HydrophobicContact CB-CD1 4.06Å; A263-I266 HydrophobicContact CB-CG1 4.15Å; A263-I266 WeakPolarHBondContact O-CB 3.48Å; A263-I266 PolarHBondContact O-N 2.76Å
264F96.3Very high96.9Very high164 Ų16475.9 Ų75.972%0.71940%0.403SS*.THydrogen-bonded Turntrans-61.1-18.4175.973.8-83.8000113.3M14 L17 I266M14-F264 HydrophobicContact CE-CD2 3.59Å; M14-F264 HydrophobicContact CE-CE2 3.26Å; M14-F264 HydrophobicContact CE-CZ 4.18Å; L17-F264 HydrophobicContact CD1-CD2 4.09Å; F264-I266 PolarHBondContact O-N 2.94Å
265T96.4Very high97Very high45 Ų4573 Ų7328%0.27639%0.389SS..THydrogen-bonded Turntrans-76.4-8.3176.775.40000111.9R10 M14 A263R10-T265 PolarHBondContact NH1-O 2.81Å; R10-T265 PolarHBondContact NH2-O 3.03Å; M14-T265 HydrophobicContact CE-CG2 3.59Å; A263-T265 PolarHBondContact O-N 3.05Å
266I96.8Very high97.1Very high36 Ų3672.5 Ų72.519%0.18538%0.376CS..SBendtrans-84.1138.3-174.8-62.8177.4000110.1I254 V262 A263 F264 R268I254-I266 VanDerWaalsContact C-CD1 3.41Å; I254-I266 HydrophobicContact CB-CG2 4.18Å; I254-I266 HydrophobicContact CG2-CG2 4.32Å; I254-I266 WeakPolarHBondContact O-CD1 3.46Å; V262-I266 HydrophobicContact CG1-CB 4.3Å; V262-I266 HydrophobicContact CG1-CD1 4.17Å; A263-I266 HydrophobicContact CB-CD1 4.06Å; A263-I266 HydrophobicContact CB-CG1 4.15Å; A263-I266 WeakPolarHBondContact O-CB 3.48Å; A263-I266 PolarHBondContact O-N 2.76Å; F264-I266 PolarHBondContact O-N 2.94Å; I266-R268 PolarHBondContact O-N 3.14Å
267A97.6Very high97.2Very high13 Ų1371.4 Ų71.411%0.10736%0.355CS..  trans-65.9111.2179.900000110.1V231 W235 T237 V251V231-A267 VanDerWaalsContact CG1-O 3.24Å; V231-A267 WeakPolarHBondContact CG1-O 3.28Å; W235-A267 HydrophobicContact CB-CB 3.76Å; W235-A267 HydrophobicContact CD2-CB 4.05Å; W235-A267 HydrophobicContact CG-CB 3.57Å; T237-A267 HydrophobicContact CG2-CB 3.89Å; V251-A267 HydrophobicContact CG2-CB 4.09Å
268R98.1Very high97.4Very high126 Ų12664 Ų6448%0.47533%0.333SS..  trans-114.8153.4175.1-58.7-60.2-68.1-96.11.4111.9V231 R234 W235 I266V231-R268 VanDerWaalsContact CG1-C 3.43Å; R234-R268 WeakPolarHBondContact CD-O 3.47Å; R234-R268 PolarHBondContact NH1-O 3.16Å; W235-R268 PolarHBondContact NE1-O 3.41Å; I266-R268 PolarHBondContact O-N 3.14Å
269A98.3Very high97.6Very high44 Ų4459.6 Ų59.636%0.36431%0.313SS..  trans-61.9158.8170.800000110.6F228 K229 R234F228-A269 HydrophobicContact CE1-CB 3.9Å; F228-A269 HydrophobicContact CZ-CB 3.99Å; K229-A269 WeakPolarHBondContact O-CA 3.23Å; R234-A269 PolarHBondContact NH1-O 3.26Å
270G98.3Very high97.7Very high7 Ų759.6 Ų59.67%0.07231%0.308CS..EExtended strand (participates in β ladder)trans154.3-164.117900000113.2K229 K272K229-G270 PolarHBondContact N-O 2.73Å; K229-G270 PolarHBondContact O-N 2.74Å; G270-K272 PolarHBondContact O-N 2.74Å
271Q98.3Very high97.7Very high42 Ų4258.2 Ų58.220%0.19629%0.288CS..EExtended strand (participates in β ladder)trans-56.6129.1179.7178.365.324.300112.3R21 G227 R234 G273R21-Q271 HydrophobicContact CG-CG 3.83Å; G227-Q271 PolarHBondContact O-OE1 2.76Å; R234-Q271 PolarHBondContact NE-O 3.5Å; Q271-G273 PolarHBondContact NE2-O 3.27Å
272K98.4Very high97.8Very high40 Ų4050.3 Ų50.317%0.17426%0.258CS..EExtended strand (participates in β ladder)trans-117.3132.1167.9-173.8-176.5-179.5176.40110.1H226 G227 K229 S233 R234 G270H226-K272 WeakPolarHBondContact CA-O 3.47Å; H226-K272 HydrophobicContact CB-CB 4.23Å; H226-K272 HydrophobicContact CB-CD 4.46Å; H226-K272 HydrophobicContact CB-CG 4.34Å; H226-K272 WeakPolarHBondContact CB-O 3.42Å; H226-K272 PolarHBondContact N-O 3.17Å; G227-K272 PolarHBondContact N-O 3.07Å; G227-K272 PolarHBondContact O-N 2.97Å; K229-K272 HydrophobicContact CB-CB 3.9Å; K229-K272 HydrophobicContact CB-CD 4.34Å; K229-K272 HydrophobicContact CG-CB 3.76Å; K229-K272 HydrophobicContact CG-CD 4.07Å; S233-K272 VanDerWaalsContact O-CE 3.28Å; S233-K272 WeakPolarHBondContact O-CE 3.41Å; S233-K272 PolarHBondContact O-NZ 2.78Å; S233-K272 PolarHBondContact OG-NZ 2.8Å; R234-K272 HydrophobicContact CG-CB 4.39Å; G270-K272 PolarHBondContact O-N 2.74Å
273G97.9Very high97.8Very high6 Ų647.5 Ų47.56%0.06224%0.241CC..EExtended strand (participates in β ladder)trans74.1-177.1179.700000113.9K224 Q271 Q275K224-G273 CarbonylContact O-C 3.59Å; K224-G273 WeakPolarHBondContact O-CA 3.43Å; Q271-G273 PolarHBondContact NE2-O 3.27Å; G273-Q275 VanDerWaalsContact C-N 3.3Å
274Y98.4Very high97.9Very high41 Ų4145.7 Ų45.716%0.16123%0.226CC..  trans57.942.2-167.6-156.1-99.9000112.3R21 S22 H25 V222 T223 K224R21-Y274 CarbonylContact C-O 3.53Å; R21-Y274 WeakPolarHBondContact CA-O 3.15Å; R21-Y274 HydrophobicContact CB-CD1 3.87Å; R21-Y274 HydrophobicContact CG-CD1 4.1Å; S22-Y274 PolarHBondContact N-O 2.97Å; S22-Y274 WeakPolarHBondContact O-CE1 3.46Å; H25-Y274 PolarHBondContact ND1-OH 2.71Å; H25-Y274 VanDerWaalsContact ND1-OH 3.16Å; V222-Y274 HydrophobicContact CG1-CD1 4.13Å; V222-Y274 HydrophobicContact CG1-CD2 3.77Å; V222-Y274 HydrophobicContact CG1-CE1 4.35Å; V222-Y274 HydrophobicContact CG1-CE2 4.02Å; V222-Y274 HydrophobicContact CG1-CG 3.84Å; T223-Y274 VanDerWaalsContact O-CA 3.31Å; T223-Y274 WeakPolarHBondContact O-CA 3.46Å; T223-Y274 PolarHBondContact O-N 3.11Å; T223-Y274 PolarHBondContact OG1-N 2.81Å; K224-Y274 PolarHBondContact O-N 3.16Å
275Q98.4Very high98Very high12 Ų1238 Ų386%0.05619%0.192CC..  trans-111.9145.6-177.7-71.4163.2-2.400109.8R20 V222 T223 G273R20-Q275 WeakPolarHBondContact O-CG 3.02Å; V222-Q275 WeakPolarHBondContact CA-O 3.28Å; T223-Q275 PolarHBondContact N-O 3.43Å; T223-Q275 PolarHBondContact OG1-N 3.18Å; T223-Q275 PolarHBondContact OG1-O 3.16Å; G273-Q275 VanDerWaalsContact C-N 3.3Å
276H98.4Very high98Very high27 Ų2738.1 Ų38.113%0.12519%0.188CC..EExtended strand (participates in β ladder)trans-70.9131.3173.4175.2-88.9000109.9R28 R30 I220 G221R28-H276 PolarHBondContact N-NE2 3.39Å; R28-H276 PolarHBondContact O-NE2 3.47Å; R30-H276 PolarHBondContact NH2-ND1 3.11Å; I220-H276 WeakPolarHBondContact CG2-NE2 3.25Å; G221-H276 WeakPolarHBondContact O-CA 3.18Å
277R98.1Very high98.1Very high54 Ų5438.1 Ų38.120%0.20419%0.188CC..EExtended strand (participates in β ladder)trans-143.3152179-70.5-62.9-179.6-91.80.9110.1F16 I220 G221 T223 V338F16-R277 VanDerWaalsContact CD1-CZ 3.47Å; I220-R277 WeakPolarHBondContact CA-O 3.44Å; G221-R277 PolarHBondContact N-O 3.3Å; G221-R277 PolarHBondContact O-N 2.9Å; T223-R277 HydrophobicContact CG2-CB 4.17Å; T223-R277 HydrophobicContact CG2-CG 3.64Å; R277-V338 HydrophobicContact CB-CG1 3.98Å
278T98.3Very high98Very high59 Ų5937.8 Ų37.836%0.36219%0.185SC..EExtended strand (participates in β ladder)trans-121.1116.6171-62.40000106.3D218 I220 I280D218-T278 HydrophobicContact CB-CG2 4.3Å; I220-T278 HydrophobicContact CD1-CG2 4.33Å; I220-T278 HydrophobicContact CG1-CG2 3.82Å; T278-I280 HydrophobicContact CG2-CG2 4.01Å
279E98.3Very high97.8Very high49 Ų4940 Ų4023%0.22919%0.194CC..EExtended strand (participates in β ladder)trans-98116.7169.6-66.5-177.6-167.800107.6D218 V219 K282 V338D218-E279 CarbonylContact C-O 3.45Å; D218-E279 WeakPolarHBondContact CA-O 3.4Å; V219-E279 PolarHBondContact N-O 3.16Å; V219-E279 PolarHBondContact O-N 2.87Å; E279-K282 WeakPolarHBondContact OE2-CE 3.44Å; E279-K282 IonicContact OE2-NZ 3.95Å; E279-K282 PolarHBondContact OE2-NZ 2.98Å; E279-V338 HydrophobicContact CG-CG1 3.94Å; E279-V338 WeakPolarHBondContact OE1-CG1 3.4Å; E279-V338 PolarHBondContact OE1-N 3.5Å
280I97.9Very high97.5Very high86 Ų8638.3 Ų38.344%0.44118%0.18SC..EExtended strand (participates in β ladder)trans-88.4167.7-178.864.3173.7000111.6D218 T278 K282D218-I280 WeakPolarHBondContact OD1-CA 3.04Å; D218-I280 VanDerWaalsContact OD1-CB 3.26Å; D218-I280 WeakPolarHBondContact OD1-CB 3.4Å; D218-I280 WeakPolarHBondContact OD1-CG2 3.2Å; T278-I280 HydrophobicContact CG2-CG2 4.01Å; I280-K282 PolarHBondContact O-N 3.42Å
281N97Very high97Very high65 Ų6540.2 Ų40.235%0.34819%0.19SC..EExtended strand (participates in β ladder)trans59.844.9167.2-66.5-18.5000113.6M216 I217 D218M216-N281 HydrophobicContact CE-CB 3.54Å; M216-N281 WeakPolarHBondContact CE-O 3.41Å; I217-N281 PolarHBondContact O-N 2.93Å; D218-N281 PolarHBondContact OD1-N 3.44Å
282K98.2Very high96.5Very high34 Ų3440.8 Ų40.815%0.14819%0.193CC..EExtended strand (participates in β ladder)trans-95.6110.6174.9-62.7-66179.7164.80109.7I217 V219 E279 I280 V333 C336I217-K282 HydrophobicContact CG1-CB 4.3Å; I217-K282 VanDerWaalsContact CG1-O 3.3Å; I217-K282 WeakPolarHBondContact CG1-O 3.33Å; I217-K282 PolarHBondContact N-O 2.8Å; I217-K282 WeakPolarHBondContact O-CB 3.38Å; I217-K282 PolarHBondContact O-N 3.15Å; V219-K282 HydrophobicContact CG2-CB 4.19Å; V219-K282 HydrophobicContact CG2-CG 4.01Å; E279-K282 WeakPolarHBondContact OE2-CE 3.44Å; E279-K282 IonicContact OE2-NZ 3.95Å; E279-K282 PolarHBondContact OE2-NZ 2.98Å; I280-K282 PolarHBondContact O-N 3.42Å; K282-V333 HydrophobicContact CB-CG1 3.5Å; K282-V333 VanDerWaalsContact CB-CG1 3.5Å; K282-V333 HydrophobicContact CD-CG1 4.41Å; K282-V333 HydrophobicContact CG-CG1 4.25Å; K282-C336 PolarHBondContact NZ-O 2.65Å
283K98Very high96Very high10 Ų1044.8 Ų44.84%0.04322%0.215CC..EExtended strand (participates in β ladder)trans-69130.1179.3-166.684.6168.8162.10110.1D214 M216 F285 K334 A359 E361 I363D214-K283 WeakPolarHBondContact O-CD 3.29Å; D214-K283 VanDerWaalsContact O-CE 3.27Å; D214-K283 WeakPolarHBondContact O-CE 3.33Å; D214-K283 PolarHBondContact O-NZ 3.38Å; M216-K283 HydrophobicContact CG-CD 3.89Å; M216-K283 WeakPolarHBondContact SD-CA 3.44Å; M216-K283 HydrophobicContact SD-CB 3.53Å; M216-K283 VanDerWaalsContact SD-CB 3.53Å; M216-K283 HydrophobicContact SD-CD 3.63Å; M216-K283 HydrophobicContact SD-CG 4.16Å; M216-K283 PolarHBondContact SD-N 3.34Å; M216-K283 VanDerWaalsContact SD-N 3.35Å; K283-F285 HydrophobicContact CB-CD1 4.2Å; K283-F285 HydrophobicContact CB-CE1 3.95Å; K283-F285 HydrophobicContact CG-CD1 3.94Å; K283-F285 HydrophobicContact CG-CE1 3.79Å; K283-K334 HydrophobicContact CB-CB 4.16Å; K283-K334 PolarHBondContact O-N 3.03Å; K283-A359 PolarHBondContact NZ-O 3.45Å; K283-E361 WeakPolarHBondContact CE-O 3.44Å; K283-E361 PolarHBondContact NZ-O 2.79Å; K283-I363 HydrophobicContact CG-CD1 4.45Å; K283-I363 HydrophobicContact CG-CG1 4.19Å
284I98.5Very high95.4Very high0 Ų049.3 Ų49.30%023%0.234CC..EExtended strand (participates in β ladder)trans-76.5124.7166-63.5-179.8000107.9F211 D214 E215 I217 I287 V331F211-I284 HydrophobicContact CB-CD1 3.83Å; F211-I284 HydrophobicContact CG-CD1 4.29Å; D214-I284 WeakPolarHBondContact CA-O 3.36Å; D214-I284 PolarHBondContact N-O 3.4Å; E215-I284 HydrophobicContact CB-CD1 4.44Å; E215-I284 PolarHBondContact O-N 2.8Å; I217-I284 HydrophobicContact CD1-CD1 4.14Å; I217-I284 HydrophobicContact CD1-CG1 4.04Å; I217-I284 HydrophobicContact CG1-CD1 4.4Å; I217-I284 HydrophobicContact CG1-CG1 4.09Å; I217-I284 HydrophobicContact CG2-CD1 3.73Å; I217-I284 HydrophobicContact CG2-CG1 4.18Å; I284-I287 HydrophobicContact CG2-CD1 4.44Å; I284-I287 HydrophobicContact CG2-CG1 3.73Å; I284-V331 HydrophobicContact CB-CG1 4.38Å; I284-V331 HydrophobicContact CD1-CG1 3.97Å; I284-V331 HydrophobicContact CG1-CG1 3.79Å; I284-V331 HydrophobicContact CG2-CG1 3.9Å
285F97.9Very high94.6Very high2 Ų254.4 Ų54.41%0.00926%0.264CS..EExtended strand (participates in β ladder)trans-98.4-26.9177.4-84.218.4000112.6E74 V76 Q213 K283 M332 K334 I363 L365E74-F285 HydrophobicContact CB-CE2 4.24Å; E74-F285 WeakPolarHBondContact OE2-CE2 3.28Å; E74-F285 WeakPolarHBondContact OE2-CZ 3.2Å; V76-F285 HydrophobicContact CG1-CD2 3.6Å; V76-F285 HydrophobicContact CG1-CE2 4.03Å; V76-F285 HydrophobicContact CG1-CG 4.41Å; Q213-F285 PolarHBondContact NE2-O 3.1Å; K283-F285 HydrophobicContact CB-CD1 4.2Å; K283-F285 HydrophobicContact CB-CE1 3.95Å; K283-F285 HydrophobicContact CG-CD1 3.94Å; K283-F285 HydrophobicContact CG-CE1 3.79Å; F285-M332 HydrophobicContact CB-CB 4.43Å; F285-M332 HydrophobicContact CB-CG 4.05Å; F285-M332 HydrophobicContact CB-SD 3.94Å; F285-M332 PolarHBondContact N-O 3.41Å; F285-K334 HydrophobicContact CD1-CB 4.11Å; F285-K334 HydrophobicContact CE1-CB 3.62Å; F285-K334 HydrophobicContact CE1-CD 3.86Å; F285-K334 HydrophobicContact CE1-CG 3.97Å; F285-K334 HydrophobicContact CE2-CB 4.37Å; F285-K334 HydrophobicContact CE2-CG 4.3Å; F285-K334 HydrophobicContact CZ-CB 3.75Å; F285-K334 HydrophobicContact CZ-CD 3.62Å; F285-K334 HydrophobicContact CZ-CG 3.64Å; F285-I363 HydrophobicContact CB-CG2 4.25Å; F285-I363 HydrophobicContact CD1-CB 4.46Å; F285-I363 HydrophobicContact CD1-CD1 4.35Å; F285-I363 HydrophobicContact CD1-CG1 3.94Å; F285-I363 HydrophobicContact CD1-CG2 3.97Å; F285-I363 HydrophobicContact CD2-CG2 4.27Å; F285-I363 HydrophobicContact CE1-CD1 3.93Å; F285-I363 HydrophobicContact CE1-CG1 4.04Å; F285-I363 HydrophobicContact CE1-CG2 4.32Å; F285-I363 HydrophobicContact CG-CG2 3.93Å; F285-L365 HydrophobicContact CB-CD2 4.44Å; F285-L365 HydrophobicContact CD2-CD2 3.99Å
286R97.6Very high94Very high47 Ų4757.2 Ų57.218%0.17730%0.296CS..EExtended strand (participates in β ladder)trans-159133.7175.2-171.3169.3-78-166.8-5.1109.9N302 S304 M332 L365 I368R286-N302 PolarHBondContact NH1-O 2.84Å; R286-S304 PolarHBondContact NH1-O 2.75Å; R286-S304 PolarHBondContact NH2-O 2.77Å; R286-M332 HydrophobicContact CB-CB 3.97Å; R286-M332 HydrophobicContact CB-SD 4.27Å; R286-M332 PolarHBondContact O-N 3.42Å; R286-L365 HydrophobicContact CB-CD1 4.23Å; R286-I368 VanDerWaalsContact NH1-CD1 3.27Å
287I97.7Very high93.3Very high37 Ų3763.7 Ų63.719%0.1932%0.324CS..EExtended strand (participates in β ladder)trans-98.5101.3157.4-56-177.5000106.6I207 F211 I284I207-I287 HydrophobicContact CG2-CG2 3.8Å; F211-I287 HydrophobicContact CB-CD1 4.19Å; F211-I287 WeakPolarHBondContact O-CD1 3.19Å; I284-I287 HydrophobicContact CG2-CD1 4.44Å; I284-I287 HydrophobicContact CG2-CG1 3.73Å
288G95.5Very high92.8Very high5 Ų564.7 Ų64.75%0.05234%0.336CS..EExtended strand (participates in β ladder)trans-92.9134.8-177.200000110.9D329 F330G288-D329 CarbonylContact O-C 3.49Å; G288-D329 VanDerWaalsContact O-CA 3.28Å; G288-D329 WeakPolarHBondContact O-CA 3.18Å; G288-F330 PolarHBondContact N-O 3.08Å; G288-F330 PolarHBondContact O-N 3.41Å
289R94.4Very high92.2Very high174 Ų17463.1 Ų63.166%0.65733%0.326SS*.  trans-69.6145.3170.6-68.1-173.9179-176.20110.4N302 D329R289-N302 WeakPolarHBondContact O-CB 3.49Å; R289-N302 PolarHBondContact O-ND2 3.36Å; R289-D329 WeakPolarHBondContact CA-OD1 3.35Å
290G91.7Very high91.5Very high7 Ų768.1 Ų68.17%0.07234%0.343CS..  trans-62.1178170.400000112.3H292 N327 N328 D329G290-H292 PolarHBondContact O-N 2.82Å; G290-H292 VanDerWaalsContact O-N 3.16Å; G290-H292 PolarHBondContact O-ND1 3.29Å; G290-N327 CarbonylContact C-O 3.55Å; G290-N327 WeakPolarHBondContact CA-O 3.43Å; G290-N328 WeakPolarHBondContact CA-O 3.23Å; G290-D329 PolarHBondContact N-OD1 2.95Å
291V88.9Confident91Very high47 Ų4767.2 Ų67.229%0.28534%0.339SS..SBendtrans-65.5116.1169.4179.20000107.2V298 R300 N327V291-V298 HydrophobicContact CG1-CG1 3.43Å; V291-V298 VanDerWaalsContact CG1-CG1 3.43Å; V291-R300 HydrophobicContact CG1-CG 3.93Å; V291-R300 HydrophobicContact CG2-CG 4.34Å; V291-N327 PolarHBondContact N-O 2.85Å
292H87.3Confident90.7Very high54 Ų5464.8 Ų64.825%0.2533%0.326CS..EExtended strand (participates in β ladder)trans-131.2163.2-176.859.8-76.3000110.3G290 V299G290-H292 PolarHBondContact O-N 2.82Å; G290-H292 VanDerWaalsContact O-N 3.16Å; G290-H292 PolarHBondContact O-ND1 3.29Å; H292-V299 PolarHBondContact O-N 3.09Å
293I87.8Confident90.5Very high125 Ų12563.2 Ų63.264%0.64132%0.319SS*.EExtended strand (participates in β ladder)trans-100125.4175.5-57.4175.3000106.8K297 V298I293-K297 WeakPolarHBondContact CA-O 3.28Å; I293-V298 HydrophobicContact CG1-CG2 4.36Å
294Q84.5Confident90.2Very high101 Ų10163.5 Ų63.547%0.47232%0.323SS..EExtended strand (participates in β ladder)trans-128.4127172-169.2176.3-000106.9G296 K297 V299Q294-G296 VanDerWaalsContact C-N 3.25Å; Q294-G296 PolarHBondContact O-N 3.14Å; Q294-K297 PolarHBondContact N-O 3.25Å; Q294-K297 PolarHBondContact O-N 3.49Å; Q294-V299 HydrophobicContact CB-CG2 3.68Å
295D83.1Confident89.9Confident147 Ų14764.3 Ų64.379%0.78633%0.328SS*.THydrogen-bonded Turntrans52.741.7-179.7-47.2-39.1000113.2K297D295-K297 PolarHBondContact O-N 2.81Å; D295-K297 VanDerWaalsContact O-N 3.13Å
296G83.9Confident89.6Confident71 Ų7167.6 Ų67.673%0.73236%0.362SS*.THydrogen-bonded Turntrans72.8-3.7-177.800000115.3Q294Q294-G296 VanDerWaalsContact C-N 3.25Å; Q294-G296 PolarHBondContact O-N 3.14Å
297K85.6Confident89.3Confident163 Ų16371.7 Ų71.771%0.70938%0.379SS*.EExtended strand (participates in β ladder)trans-102.8136.7-179.6-65.7177.9-176.1172.70111.2I293 Q294 D295 V299I293-K297 WeakPolarHBondContact CA-O 3.28Å; Q294-K297 PolarHBondContact N-O 3.25Å; Q294-K297 PolarHBondContact O-N 3.49Å; D295-K297 PolarHBondContact O-N 2.81Å; D295-K297 VanDerWaalsContact O-N 3.13Å; K297-V299 PolarHBondContact O-N 2.78Å
298V86.3Confident88.9Confident75 Ų7571.2 Ų71.246%0.45538%0.376SS..EExtended strand (participates in β ladder)trans-76.4106.6175.9-174.10000109.2V291 I293 R300V291-V298 HydrophobicContact CG1-CG1 3.43Å; V291-V298 VanDerWaalsContact CG1-CG1 3.43Å; I293-V298 HydrophobicContact CG1-CG2 4.36Å; V298-R300 HydrophobicContact CG1-CG 3.95Å; V298-R300 PolarHBondContact O-N 2.83Å
299V86.1Confident88.5Confident26 Ų2678 Ų7816%0.15841%0.411CS..EExtended strand (participates in β ladder)trans-80.8117.9178.8-179.50000109.6H292 Q294 K297 N301H292-V299 PolarHBondContact O-N 3.09Å; Q294-V299 HydrophobicContact CB-CG2 3.68Å; K297-V299 PolarHBondContact O-N 2.78Å; V299-N301 HydrophobicContact CG1-CB 4.47Å; V299-N301 WeakPolarHBondContact CG1-OD1 3.22Å
300R83.9Confident88.3Confident155 Ų15571.5 Ų71.559%0.58539%0.392SS*.  trans-124.631.5-175.5-68.9-172178.2179.51.2112.9V291 V298 K312 T313V291-R300 HydrophobicContact CG1-CG 3.93Å; V291-R300 HydrophobicContact CG2-CG 4.34Å; V298-R300 HydrophobicContact CG1-CG 3.95Å; V298-R300 PolarHBondContact O-N 2.83Å; R300-K312 CarbonylContact O-C 3.53Å; R300-K312 VanDerWaalsContact O-O 3.12Å; R300-T313 HydrophobicContact CB-CG2 3.66Å; R300-T313 HydrophobicContact CG-CG2 4.28Å; R300-T313 WeakPolarHBondContact O-CG2 3.34Å; R300-T313 PolarHBondContact O-N 3.15Å
301N86.8Confident88.2Confident66 Ų6677.8 Ų77.835%0.35342%0.419SS..  trans-107.119.4-166.372.8-13.6000113.9V299 A303 S304 K312V299-N301 HydrophobicContact CG1-CB 4.47Å; V299-N301 WeakPolarHBondContact CG1-OD1 3.22Å; N301-A303 PolarHBondContact O-N 2.93Å; N301-A303 VanDerWaalsContact O-N 3.1Å; N301-S304 WeakPolarHBondContact CA-OG 3.43Å; N301-S304 WeakPolarHBondContact CB-OG 3.29Å; N301-S304 WeakPolarHBondContact O-CB 3.25Å; N301-S304 PolarHBondContact O-N 2.9Å; N301-S304 PolarHBondContact O-OG 2.7Å; N301-K312 CarbonylContact C-O 3.55Å
302N91.1Very high88.3Confident15 Ų1576 Ų768%0.0841%0.408CS..THydrogen-bonded Turntrans-68.8-9.9-170.964.214.8000115.3R286 R289 K312 T313 I314 F330R286-N302 PolarHBondContact NH1-O 2.84Å; R289-N302 WeakPolarHBondContact O-CB 3.49Å; R289-N302 PolarHBondContact O-ND2 3.36Å; N302-K312 PolarHBondContact N-O 2.84Å; N302-T313 WeakPolarHBondContact OD1-CA 3.41Å; N302-I314 PolarHBondContact OD1-N 2.92Å; N302-F330 HydrophobicContact CB-CE1 3.93Å; N302-F330 HydrophobicContact CB-CZ 4.43Å
303A93.6Very high88.7Confident0 Ų075 Ų750%041%0.406CS..THydrogen-bonded Turntrans-110.37.3169.900000114.3N301 K312 T313 I314 I368 T370N301-A303 PolarHBondContact O-N 2.93Å; N301-A303 VanDerWaalsContact O-N 3.1Å; A303-K312 HydrophobicContact CB-CG 4.17Å; A303-K312 PolarHBondContact N-O 2.84Å; A303-T313 VanDerWaalsContact CB-C 3.42Å; A303-I314 HydrophobicContact CB-CB 4.24Å; A303-I314 HydrophobicContact CB-CD1 4.17Å; A303-I368 HydrophobicContact CB-CB 4.4Å; A303-I368 HydrophobicContact CB-CD1 4.26Å; A303-I368 HydrophobicContact CB-CG2 4.19Å; A303-T370 HydrophobicContact CB-CG2 4.11Å
304S92Very high89.1Confident17 Ų1769.2 Ų69.212%0.11938%0.376CS..  trans-75.5156.3169.9-26.70000109.7R286 N301 S310R286-S304 PolarHBondContact NH1-O 2.75Å; R286-S304 PolarHBondContact NH2-O 2.77Å; N301-S304 WeakPolarHBondContact CA-OG 3.43Å; N301-S304 WeakPolarHBondContact CB-OG 3.29Å; N301-S304 WeakPolarHBondContact O-CB 3.25Å; N301-S304 PolarHBondContact O-N 2.9Å; N301-S304 PolarHBondContact O-OG 2.7Å; S304-S310 WeakPolarHBondContact CB-O 3.48Å; S304-S310 PolarHBondContact OG-O 3.3Å; S304-S310 VanDerWaalsContact OG-O 3.04Å
305T92.6Very high89.7Confident16 Ų1665.3 Ų65.310%0.09836%0.359CS..  trans-130.2176.6179.474.80000110Y307 D308 L365 K366 I368T305-Y307 PolarHBondContact O-N 2.92Å; T305-Y307 PolarHBondContact OG1-N 3.02Å; T305-D308 PolarHBondContact N-O 3.5Å; T305-D308 VanDerWaalsContact N-O 3.13Å; T305-D308 CarbonylContact O-C 3.57Å; T305-D308 VanDerWaalsContact O-O 3.09Å; T305-D308 VanDerWaalsContact OG1-CB 3.29Å; T305-D308 WeakPolarHBondContact OG1-CB 3.18Å; T305-D308 PolarHBondContact OG1-N 2.86Å; T305-L365 VanDerWaalsContact CB-O 3.24Å; T305-L365 WeakPolarHBondContact CB-O 3.43Å; T305-L365 HydrophobicContact CG2-CB 4.31Å; T305-L365 WeakPolarHBondContact CG2-O 3.27Å; T305-K366 PolarHBondContact OG1-O 3.26Å; T305-I368 HydrophobicContact CG2-CD1 4.25Å; T305-I368 HydrophobicContact CG2-CG1 4.27Å
306G90.3Very high90.4Very high72 Ų7258.5 Ų58.574%0.74232%0.323SS*.SBendtrans-64.9-25.5173.100000113.3
307Y91.9Very high91Very high133 Ų13357 Ų5752%0.52230%0.297SS..SBendtrans-96.6-24.5-179.4-62.1-95.6000112.7T305 E364 K366T305-Y307 PolarHBondContact O-N 2.92Å; T305-Y307 PolarHBondContact OG1-N 3.02Å; Y307-E364 HydrophobicContact CE2-CG 4.42Å; Y307-E364 WeakPolarHBondContact CE2-OE1 3.46Å; Y307-K366 HydrophobicContact CD1-CG 4.49Å; Y307-K366 HydrophobicContact CD2-CB 4.19Å; Y307-K366 HydrophobicContact CD2-CG 3.77Å; Y307-K366 HydrophobicContact CE2-CG 3.93Å; Y307-K366 HydrophobicContact CG-CB 4.31Å; Y307-K366 HydrophobicContact CG-CG 4.07Å
308D90.1Very high91.4Very high26 Ų2653.4 Ų53.414%0.13931%0.307CS..  trans-112.397.5-178.6-175.7-2.8000109.7T305 S310 K312 F367T305-D308 PolarHBondContact N-O 3.5Å; T305-D308 VanDerWaalsContact N-O 3.13Å; T305-D308 CarbonylContact O-C 3.57Å; T305-D308 VanDerWaalsContact O-O 3.09Å; T305-D308 VanDerWaalsContact OG1-CB 3.29Å; T305-D308 WeakPolarHBondContact OG1-CB 3.18Å; T305-D308 PolarHBondContact OG1-N 2.86Å; D308-S310 VanDerWaalsContact CG-OG 3.29Å; D308-S310 PolarHBondContact O-N 2.93Å; D308-S310 VanDerWaalsContact OD1-CB 3.22Å; D308-S310 WeakPolarHBondContact OD1-CB 3.34Å; D308-S310 PolarHBondContact OD1-N 2.52Å; D308-S310 PolarHBondContact OD1-OG 2.82Å; D308-S310 PolarHBondContact OD2-OG 2.78Å; D308-K312 WeakPolarHBondContact OD2-CE 3.39Å; D308-K312 IonicContact OD2-NZ 2.64Å; D308-K312 PolarHBondContact OD2-NZ 2.95Å; D308-F367 WeakPolarHBondContact OD2-CD2 3.18Å
309L87.7Confident91.9Very high149 Ų14950.3 Ų50.378%0.7829%0.29SS*.  trans-72.5-6.3-179.5-59.8173.2000113.3Q311L309-Q311 PolarHBondContact O-N 2.79Å
310S88.5Confident92.4Very high37 Ų3749.3 Ų49.326%0.25928%0.284SS..  trans-64.6123.7-179.967.50000110.8S304 D308 K312S304-S310 WeakPolarHBondContact CB-O 3.48Å; S304-S310 PolarHBondContact OG-O 3.3Å; S304-S310 VanDerWaalsContact OG-O 3.04Å; D308-S310 VanDerWaalsContact CG-OG 3.29Å; D308-S310 PolarHBondContact O-N 2.93Å; D308-S310 VanDerWaalsContact OD1-CB 3.22Å; D308-S310 WeakPolarHBondContact OD1-CB 3.34Å; D308-S310 PolarHBondContact OD1-N 2.52Å; D308-S310 PolarHBondContact OD1-OG 2.82Å; D308-S310 PolarHBondContact OD2-OG 2.78Å; S310-K312 PolarHBondContact O-N 3.01Å; S310-K312 WeakPolarHBondContact OG-CD 3.36Å; S310-K312 VanDerWaalsContact OG-CE 3.31Å; S310-K312 WeakPolarHBondContact OG-CE 3.5Å
311Q89.4Confident93.1Very high138 Ų13842.9 Ų42.965%0.64526%0.262SS*.  trans-7692.8178.5-62.9-66.1-36.500109.5L309L309-Q311 PolarHBondContact O-N 2.79Å
312K92.8Very high93.6Very high9 Ų950.4 Ų50.44%0.03929%0.285CS..  trans-134.6150.2-176.961.4-177.7172.2-178.70113.3R300 N301 N302 A303 D308 S310 I368 T370 T381R300-K312 CarbonylContact O-C 3.53Å; R300-K312 VanDerWaalsContact O-O 3.12Å; N301-K312 CarbonylContact C-O 3.55Å; N302-K312 PolarHBondContact N-O 2.84Å; A303-K312 HydrophobicContact CB-CG 4.17Å; A303-K312 PolarHBondContact N-O 2.84Å; D308-K312 WeakPolarHBondContact OD2-CE 3.39Å; D308-K312 IonicContact OD2-NZ 2.64Å; D308-K312 PolarHBondContact OD2-NZ 2.95Å; S310-K312 PolarHBondContact O-N 3.01Å; S310-K312 WeakPolarHBondContact OG-CD 3.36Å; S310-K312 VanDerWaalsContact OG-CE 3.31Å; S310-K312 WeakPolarHBondContact OG-CE 3.5Å; K312-I368 PolarHBondContact NZ-O 2.78Å; K312-T370 HydrophobicContact CD-CG2 3.87Å; K312-T370 WeakPolarHBondContact CD-OG1 3.39Å; K312-T370 HydrophobicContact CG-CG2 4.38Å; K312-T381 HydrophobicContact CB-CG2 4.2Å
313T95.1Very high93.9Very high35 Ų3549.9 Ų49.922%0.21528%0.283CS..  trans-90.5160.7173.763.10000111R300 N302 A303 T315 T370R300-T313 HydrophobicContact CB-CG2 3.66Å; R300-T313 HydrophobicContact CG-CG2 4.28Å; R300-T313 WeakPolarHBondContact O-CG2 3.34Å; R300-T313 PolarHBondContact O-N 3.15Å; N302-T313 WeakPolarHBondContact OD1-CA 3.41Å; A303-T313 VanDerWaalsContact CB-C 3.42Å; T313-T315 PolarHBondContact O-N 3.48Å; T313-T315 VanDerWaalsContact O-N 3.15Å; T313-T370 VanDerWaalsContact O-CG2 3.27Å; T313-T370 WeakPolarHBondContact O-CG2 3.49Å
314I97Very high94Very high3 Ų351.1 Ų51.12%0.01530%0.295CS..SBendtrans-65.1-15.5174.9-164.557.5000113.1I78 N302 A303 P316 F320 V326 F330 M332 I368I78-I314 HydrophobicContact CD1-CD1 3.79Å; I78-I314 HydrophobicContact CD1-CG1 3.81Å; I78-I314 HydrophobicContact CG1-CD1 4.21Å; I78-I314 HydrophobicContact CG1-CG1 3.89Å; I78-I314 HydrophobicContact CG2-CG1 4.11Å; N302-I314 PolarHBondContact OD1-N 2.92Å; A303-I314 HydrophobicContact CB-CB 4.24Å; A303-I314 HydrophobicContact CB-CD1 4.17Å; I314-P316 WeakPolarHBondContact O-CD 3.19Å; I314-F320 WeakPolarHBondContact O-CE2 3.42Å; I314-V326 HydrophobicContact CG2-CB 3.96Å; I314-V326 HydrophobicContact CG2-CG1 3.89Å; I314-F330 HydrophobicContact CB-CD1 4.49Å; I314-F330 HydrophobicContact CB-CE1 3.84Å; I314-F330 HydrophobicContact CB-CE2 4.25Å; I314-F330 HydrophobicContact CB-CZ 3.7Å; I314-F330 HydrophobicContact CD1-CE2 4.28Å; I314-F330 HydrophobicContact CD1-CZ 4.32Å; I314-F330 HydrophobicContact CG1-CD2 4.35Å; I314-F330 HydrophobicContact CG1-CE1 4.31Å; I314-F330 HydrophobicContact CG1-CE2 3.82Å; I314-F330 HydrophobicContact CG1-CZ 3.79Å; I314-F330 HydrophobicContact CG2-CD1 3.8Å; I314-F330 HydrophobicContact CG2-CE1 3.56Å; I314-F330 HydrophobicContact CG2-CE2 4.48Å; I314-F330 HydrophobicContact CG2-CG 4.35Å; I314-F330 HydrophobicContact CG2-CZ 3.93Å; I314-M332 HydrophobicContact CD1-CE 3.71Å; I314-I368 HydrophobicContact CD1-CG2 3.69Å
315T96.9Very high94.2Very high19 Ų1955.8 Ų55.812%0.11732%0.315CS..SBendtrans-72.5116176-63.50000108.8T313 E325 V326T313-T315 PolarHBondContact O-N 3.48Å; T313-T315 VanDerWaalsContact O-N 3.15Å; T315-E325 HydrophobicContact CG2-CB 4.09Å; T315-E325 HydrophobicContact CG2-CG 4.1Å; T315-V326 PolarHBondContact OG1-N 2.85Å; T315-V326 PolarHBondContact OG1-O 2.87Å
316P96.9Very high94.4Very high3 Ų355 Ų552%0.01931%0.311CS..  trans-66.3163179.227.9-34000111I314 G318 G319 F320 T370 T371 K373I314-P316 WeakPolarHBondContact O-CD 3.19Å; P316-G318 PolarHBondContact O-N 3.31Å; P316-G319 WeakPolarHBondContact O-CA 3.48Å; P316-G319 PolarHBondContact O-N 3.49Å; P316-F320 VanDerWaalsContact CD-CE2 3.45Å; P316-F320 HydrophobicContact CG-CD1 3.96Å; P316-F320 HydrophobicContact CG-CD2 4.34Å; P316-F320 HydrophobicContact CG-CE1 4.07Å; P316-F320 HydrophobicContact CG-CE2 4.42Å; P316-F320 HydrophobicContact CG-CG 4.11Å; P316-F320 HydrophobicContact CG-CZ 4.29Å; P316-T370 CarbonylContact C-O 3.56Å; P316-T370 WeakPolarHBondContact CA-O 3.43Å; P316-T370 WeakPolarHBondContact CB-O 3.32Å; P316-T371 WeakPolarHBondContact CB-O 3.36Å; P316-K373 HydrophobicContact CB-CG 4.09Å; P316-K373 HydrophobicContact CG-CG 4.04Å
317M95.8Very high94.6Very high39 Ų3955.1 Ų55.119%0.19229%0.294CS..THydrogen-bonded Turntrans-53127.2175.2-64.5-159.6-49.500111.5G319 T370 S372 F379M317-G319 VanDerWaalsContact C-N 3.29Å; M317-T370 PolarHBondContact N-O 2.84Å; M317-S372 WeakPolarHBondContact O-CA 3.2Å; M317-S372 WeakPolarHBondContact O-CB 3.45Å; M317-F379 HydrophobicContact CE-CB 4.01Å; M317-F379 WeakPolarHBondContact CE-O 3.47Å; M317-F379 HydrophobicContact SD-CB 4.24Å
318G94.1Very high94.8Very high89 Ų8950 Ų5092%0.91828%0.275SS*.THydrogen-bonded Turntrans79.16.6-175.700000114.9P316P316-G318 PolarHBondContact O-N 3.31Å
319G96.8Very high95.2Very high10 Ų1050.3 Ų50.310%0.10328%0.277CS..  trans81.4166.8178.600000114.1P316 M317 P321P316-G319 WeakPolarHBondContact O-CA 3.48Å; P316-G319 PolarHBondContact O-N 3.49Å; M317-G319 VanDerWaalsContact C-N 3.29Å; G319-P321 WeakPolarHBondContact O-CD 3.07Å
320F97.9Very high95.7Very high5 Ų543.2 Ų43.22%0.02224%0.24CC..BIsolated β-bridgetrans-68.1124.1173.2-85-72.1000109.9A51 I78 I314 P316 R322 Y323 G324 V326A51-F320 HydrophobicContact CB-CD2 4.26Å; I78-F320 HydrophobicContact CB-CE2 4.45Å; I78-F320 HydrophobicContact CB-CZ 4.12Å; I78-F320 HydrophobicContact CG1-CE2 4.45Å; I78-F320 HydrophobicContact CG1-CZ 3.79Å; I78-F320 HydrophobicContact CG2-CE2 4.45Å; I314-F320 WeakPolarHBondContact O-CE2 3.42Å; P316-F320 VanDerWaalsContact CD-CE2 3.45Å; P316-F320 HydrophobicContact CG-CD1 3.96Å; P316-F320 HydrophobicContact CG-CD2 4.34Å; P316-F320 HydrophobicContact CG-CE1 4.07Å; P316-F320 HydrophobicContact CG-CE2 4.42Å; P316-F320 HydrophobicContact CG-CG 4.11Å; P316-F320 HydrophobicContact CG-CZ 4.29Å; F320-R322 PolarHBondContact O-N 3.19Å; F320-Y323 HydrophobicContact CB-CD1 4.42Å; F320-Y323 HydrophobicContact CB-CG 4.46Å; F320-Y323 WeakPolarHBondContact O-CA 3.24Å; F320-Y323 PolarHBondContact O-N 3.36Å; F320-G324 PolarHBondContact N-O 3.31Å; F320-G324 PolarHBondContact O-N 3.28Å; F320-V326 HydrophobicContact CD2-CG2 3.76Å; F320-V326 HydrophobicContact CE2-CG2 3.91Å
321P97.3Very high96.2Very high20 Ų2041.5 Ų41.513%0.1323%0.228CC..THydrogen-bonded Turntrans-61.1126.9-171.1-22.227.3000112G319 Y323 K341 K373 F374G319-P321 WeakPolarHBondContact O-CD 3.07Å; P321-Y323 PolarHBondContact O-N 3.22Å; P321-K341 WeakPolarHBondContact O-CD 3.37Å; P321-K341 WeakPolarHBondContact O-CE 3.49Å; P321-K341 PolarHBondContact O-NZ 3.43Å; P321-K373 HydrophobicContact CG-CB 3.8Å; P321-K373 WeakPolarHBondContact CG-O 3.17Å; P321-F374 HydrophobicContact CB-CD2 4.34Å; P321-F374 HydrophobicContact CG-CB 4.33Å
322R96.8Very high96.6Very high223 Ų22334.9 Ų34.984%0.84220%0.197SC*.THydrogen-bonded Turntrans65.36.4-175.4-44.6-179.7-166.5-173.71.9115F320 K342F320-R322 PolarHBondContact O-N 3.19Å; R322-K342 WeakPolarHBondContact O-CD 3.36Å; R322-K342 WeakPolarHBondContact O-CE 3.47Å; R322-K342 PolarHBondContact O-NZ 3.11Å
323Y97.8Very high96.9Very high5 Ų534.5 Ų34.52%0.0220%0.195CC..THydrogen-bonded Turntrans-104.6-67.4170.7-171.2-98.3000110.4A51 E80 P172 I173 F320 P321 V326 K342A51-Y323 VanDerWaalsContact CA-CD2 3.49Å; A51-Y323 HydrophobicContact CB-CD1 3.7Å; A51-Y323 HydrophobicContact CB-CD2 4.2Å; A51-Y323 HydrophobicContact CB-CE1 3.61Å; A51-Y323 HydrophobicContact CB-CE2 4.12Å; A51-Y323 HydrophobicContact CB-CG 3.99Å; A51-Y323 WeakPolarHBondContact O-CB 3.04Å; E80-Y323 WeakPolarHBondContact OE2-CE1 3.47Å; E80-Y323 VanDerWaalsContact OE2-CZ 3.23Å; E80-Y323 PolarHBondContact OE2-OH 3.3Å; P172-Y323 HydrophobicContact CG-CD1 4.12Å; P172-Y323 HydrophobicContact CG-CE1 3.78Å; I173-Y323 HydrophobicContact CD1-CE2 4.16Å; F320-Y323 HydrophobicContact CB-CD1 4.42Å; F320-Y323 HydrophobicContact CB-CG 4.46Å; F320-Y323 WeakPolarHBondContact O-CA 3.24Å; F320-Y323 PolarHBondContact O-N 3.36Å; P321-Y323 PolarHBondContact O-N 3.22Å; Y323-V326 HydrophobicContact CD1-CG2 4.28Å; Y323-V326 HydrophobicContact CE1-CG2 3.94Å; Y323-K342 HydrophobicContact CD2-CB 4.34Å; Y323-K342 HydrophobicContact CD2-CG 3.49Å; Y323-K342 VanDerWaalsContact CD2-CG 3.49Å; Y323-K342 HydrophobicContact CE2-CG 4Å; Y323-K342 HydrophobicContact CG-CG 4.45Å; Y323-K342 VanDerWaalsContact O-CE 3.23Å; Y323-K342 WeakPolarHBondContact O-CE 2.96Å; Y323-K342 PolarHBondContact O-NZ 2.89Å
324G96.4Very high97Very high26 Ų2634.7 Ų34.727%0.26819%0.193SC..BIsolated β-bridgetrans126.6-156.8-16900000110.6F320F320-G324 PolarHBondContact N-O 3.31Å; F320-G324 PolarHBondContact O-N 3.28Å
325E96.2Very high97.1Very high115 Ų11535.6 Ų35.654%0.53720%0.203SC..  trans-84.1150.5175.2-54.1-177.2158.400111.1P172 T315 N327P172-E325 WeakPolarHBondContact CG-O 3.34Å; T315-E325 HydrophobicContact CG2-CB 4.09Å; T315-E325 HydrophobicContact CG2-CG 4.1Å; E325-N327 PolarHBondContact OE2-ND2 3.2Å
326V97Very high97.2Very high0 Ų038.3 Ų38.30%022%0.223CC..  trans-105.6105.1171.9175.50000107.1A51 I78 E80 I314 T315 F320 Y323 F330A51-V326 HydrophobicContact CB-CG2 3.57Å; I78-V326 HydrophobicContact CG2-CG2 4.49Å; E80-V326 HydrophobicContact CB-CG1 4.13Å; E80-V326 HydrophobicContact CG-CG1 3.96Å; I314-V326 HydrophobicContact CG2-CB 3.96Å; I314-V326 HydrophobicContact CG2-CG1 3.89Å; T315-V326 PolarHBondContact OG1-N 2.85Å; T315-V326 PolarHBondContact OG1-O 2.87Å; F320-V326 HydrophobicContact CD2-CG2 3.76Å; F320-V326 HydrophobicContact CE2-CG2 3.91Å; Y323-V326 HydrophobicContact CD1-CG2 4.28Å; Y323-V326 HydrophobicContact CE1-CG2 3.94Å; V326-F330 HydrophobicContact CG1-CB 4.08Å; V326-F330 HydrophobicContact CG1-CD1 4.26Å; V326-F330 HydrophobicContact CG1-CG 4.42Å
327N94.9Very high97.2Very high73 Ų7338.5 Ų38.539%0.3922%0.224SC..  trans-110.6-17.8-174.2-69.3-22.3000112.5E80 G290 V291 E325E80-N327 PolarHBondContact OE1-N 2.86Å; E80-N327 VanDerWaalsContact OE1-N 3.15Å; G290-N327 CarbonylContact C-O 3.55Å; G290-N327 WeakPolarHBondContact CA-O 3.43Å; V291-N327 PolarHBondContact N-O 2.85Å; E325-N327 PolarHBondContact OE2-ND2 3.2Å
328N96.3Very high97.3Very high25 Ų2537 Ų3713%0.13422%0.217CC..SBendtrans-91.8175.5175.4-55-79.1000111.4E80 P82 L170 G290E80-N328 HydrophobicContact CG-CB 3.96Å; E80-N328 PolarHBondContact OE1-N 2.83Å; E80-N328 VanDerWaalsContact OE1-N 3.11Å; E80-N328 PolarHBondContact OE1-ND2 3.19Å; P82-N328 HydrophobicContact CB-CB 4.27Å; L170-N328 WeakPolarHBondContact CB-OD1 3.17Å; L170-N328 PolarHBondContact O-ND2 3.33Å; G290-N328 WeakPolarHBondContact CA-O 3.23Å
329D97.6Very high97.5Very high34 Ų3433.3 Ų33.318%0.18218%0.178CC..  trans-51.5146.6168.8-65.6-7.1000110.7T81 I207 G288 R289 G290T81-D329 CarbonylContact C-O 3.58Å; T81-D329 WeakPolarHBondContact CA-O 3.17Å; T81-D329 PolarHBondContact N-O 2.75Å; T81-D329 PolarHBondContact OG1-O 3.47Å; T81-D329 VanDerWaalsContact OG1-O 3.05Å; I207-D329 HydrophobicContact CG2-CB 3.94Å; G288-D329 CarbonylContact O-C 3.49Å; G288-D329 VanDerWaalsContact O-CA 3.28Å; G288-D329 WeakPolarHBondContact O-CA 3.18Å; R289-D329 WeakPolarHBondContact CA-OD1 3.35Å; G290-D329 PolarHBondContact N-OD1 2.95Å
330F98.3Very high97.5Very high0 Ų034.4 Ų34.40%019%0.187CC..EExtended strand (participates in β ladder)trans-140.9155.417968-88.2000112I78 I79 T81 G288 N302 I314 V326 M332I78-F330 HydrophobicContact CD1-CD2 4.44Å; I78-F330 HydrophobicContact CD1-CE2 4.45Å; I78-F330 HydrophobicContact CG2-CB 4.08Å; I78-F330 HydrophobicContact CG2-CD2 3.91Å; I78-F330 HydrophobicContact CG2-CG 4.12Å; I79-F330 CarbonylContact O-C 3.5Å; I79-F330 VanDerWaalsContact O-CA 3.25Å; I79-F330 WeakPolarHBondContact O-CA 3.36Å; I79-F330 WeakPolarHBondContact O-CB 3.33Å; T81-F330 WeakPolarHBondContact OG1-CA 3.17Å; G288-F330 PolarHBondContact N-O 3.08Å; G288-F330 PolarHBondContact O-N 3.41Å; N302-F330 HydrophobicContact CB-CE1 3.93Å; N302-F330 HydrophobicContact CB-CZ 4.43Å; I314-F330 HydrophobicContact CB-CD1 4.49Å; I314-F330 HydrophobicContact CB-CE1 3.84Å; I314-F330 HydrophobicContact CB-CE2 4.25Å; I314-F330 HydrophobicContact CB-CZ 3.7Å; I314-F330 HydrophobicContact CD1-CE2 4.28Å; I314-F330 HydrophobicContact CD1-CZ 4.32Å; I314-F330 HydrophobicContact CG1-CD2 4.35Å; I314-F330 HydrophobicContact CG1-CE1 4.31Å; I314-F330 HydrophobicContact CG1-CE2 3.82Å; I314-F330 HydrophobicContact CG1-CZ 3.79Å; I314-F330 HydrophobicContact CG2-CD1 3.8Å; I314-F330 HydrophobicContact CG2-CE1 3.56Å; I314-F330 HydrophobicContact CG2-CE2 4.48Å; I314-F330 HydrophobicContact CG2-CG 4.35Å; I314-F330 HydrophobicContact CG2-CZ 3.93Å; V326-F330 HydrophobicContact CG1-CB 4.08Å; V326-F330 HydrophobicContact CG1-CD1 4.26Å; V326-F330 HydrophobicContact CG1-CG 4.42Å; F330-M332 HydrophobicContact CE2-CB 4.3Å; F330-M332 HydrophobicContact CE2-CE 4.48Å
331V98.4Very high97.5Very high0 Ų038.2 Ų38.20%020%0.203CC..EExtended strand (participates in β ladder)trans-107.9124.1168.6-172.70000108.6I79 T81 I207 I284 V333 L347I79-V331 PolarHBondContact N-O 2.87Å; I79-V331 PolarHBondContact O-N 2.9Å; T81-V331 HydrophobicContact CG2-CG2 4.01Å; I207-V331 HydrophobicContact CD1-CG2 4.01Å; I207-V331 HydrophobicContact CG1-CG2 3.52Å; I284-V331 HydrophobicContact CB-CG1 4.38Å; I284-V331 HydrophobicContact CD1-CG1 3.97Å; I284-V331 HydrophobicContact CG1-CG1 3.79Å; I284-V331 HydrophobicContact CG2-CG1 3.9Å; V331-V333 HydrophobicContact CB-CG2 4.41Å; V331-V333 HydrophobicContact CG1-CG2 3.63Å; V331-L347 HydrophobicContact CG2-CD1 4.22Å
332M98.6Very high97.5Very high0 Ų041.3 Ų41.30%022%0.215CC..EExtended strand (participates in β ladder)trans-90.7117.1168.1-176.7-174.7-73.100108.6T56 V76 I78 F285 R286 I314 F330 L365 I368T56-M332 HydrophobicContact CG2-CE 4.08Å; T56-M332 HydrophobicContact CG2-SD 3.68Å; V76-M332 HydrophobicContact CB-CG 3.65Å; V76-M332 HydrophobicContact CB-SD 4.23Å; V76-M332 HydrophobicContact CG1-CG 3.93Å; V76-M332 HydrophobicContact CG1-SD 4.09Å; V76-M332 HydrophobicContact CG2-CE 4.37Å; V76-M332 HydrophobicContact CG2-CG 3.8Å; V76-M332 HydrophobicContact CG2-SD 3.98Å; I78-M332 HydrophobicContact CD1-CB 3.94Å; I78-M332 HydrophobicContact CD1-CE 3.79Å; I78-M332 HydrophobicContact CD1-CG 3.75Å; F285-M332 HydrophobicContact CB-CB 4.43Å; F285-M332 HydrophobicContact CB-CG 4.05Å; F285-M332 HydrophobicContact CB-SD 3.94Å; F285-M332 PolarHBondContact N-O 3.41Å; R286-M332 HydrophobicContact CB-CB 3.97Å; R286-M332 HydrophobicContact CB-SD 4.27Å; R286-M332 PolarHBondContact O-N 3.42Å; I314-M332 HydrophobicContact CD1-CE 3.71Å; F330-M332 HydrophobicContact CE2-CB 4.3Å; F330-M332 HydrophobicContact CE2-CE 4.48Å; M332-L365 HydrophobicContact CE-CD1 4.42Å; M332-L365 HydrophobicContact SD-CD1 3.74Å; M332-I368 HydrophobicContact CE-CD1 3.84Å; M332-I368 HydrophobicContact CE-CG1 4.14Å; M332-I368 HydrophobicContact CE-CG2 4.1Å
333V98.4Very high97.6Very high0 Ų032.1 Ų32.10%018%0.18CC..EExtended strand (participates in β ladder)trans-114.6136-175.9179.60000110V76 T77 I79 I217 K282 V331 G335 V337V76-V333 CarbonylContact C-O 3.35Å; V76-V333 WeakPolarHBondContact CA-O 3.33Å; T77-V333 PolarHBondContact N-O 2.91Å; T77-V333 PolarHBondContact O-N 3.42Å; I79-V333 HydrophobicContact CD1-CG2 3.93Å; I217-V333 HydrophobicContact CD1-CG2 4.25Å; K282-V333 HydrophobicContact CB-CG1 3.5Å; K282-V333 VanDerWaalsContact CB-CG1 3.5Å; K282-V333 HydrophobicContact CD-CG1 4.41Å; K282-V333 HydrophobicContact CG-CG1 4.25Å; V331-V333 HydrophobicContact CB-CG2 4.41Å; V331-V333 HydrophobicContact CG1-CG2 3.63Å; V333-G335 PolarHBondContact O-N 2.92Å; V333-V337 HydrophobicContact CG1-CG1 4.23Å
334K98.3Very high97.6Very high39 Ų3931.9 Ų31.917%0.1718%0.179CC..EExtended strand (participates in β ladder)trans-57.6130.5176.4-172.6177.9-175146.50112.2E74 K283 F285E74-K334 WeakPolarHBondContact OE1-CE 3.2Å; E74-K334 IonicContact OE1-NZ 3.44Å; E74-K334 PolarHBondContact OE1-NZ 3.19Å; E74-K334 IonicContact OE2-NZ 3.93Å; E74-K334 PolarHBondContact OE2-NZ 2.79Å; K283-K334 HydrophobicContact CB-CB 4.16Å; K283-K334 PolarHBondContact O-N 3.03Å; F285-K334 HydrophobicContact CD1-CB 4.11Å; F285-K334 HydrophobicContact CE1-CB 3.62Å; F285-K334 HydrophobicContact CE1-CD 3.86Å; F285-K334 HydrophobicContact CE1-CG 3.97Å; F285-K334 HydrophobicContact CE2-CB 4.37Å; F285-K334 HydrophobicContact CE2-CG 4.3Å; F285-K334 HydrophobicContact CZ-CB 3.75Å; F285-K334 HydrophobicContact CZ-CD 3.62Å; F285-K334 HydrophobicContact CZ-CG 3.64Å
335G98.1Very high97.7Very high22 Ų2230.7 Ų30.723%0.22717%0.166CC..SBendtrans74.4-162.1172.700000113.8A75 T77 V333A75-G335 VanDerWaalsContact O-CA 3.22Å; A75-G335 WeakPolarHBondContact O-CA 3.04Å; A75-G335 PolarHBondContact O-N 3.49Å; T77-G335 PolarHBondContact N-O 2.85Å; T77-G335 PolarHBondContact OG1-O 3.16Å; V333-G335 PolarHBondContact O-N 2.92Å
336C98.3Very high97.8Very high77 Ų7725.2 Ų25.252%0.5214%0.141SC..  trans-81.6155.5175.966.30000111.4M53 K282M53-C336 HydrophobicContact CE-CB 3.97Å; M53-C336 HydrophobicContact SD-CB 4.33Å; K282-C336 PolarHBondContact NZ-O 2.65Å
337V98.5Very high97.9Very high7 Ų725.2 Ų25.24%0.04214%0.141CC..  trans-130.2160.2168.7-53.40000110.7K50 T77 V219 V333 L345K50-V337 HydrophobicContact CD-CG2 3.83Å; K50-V337 HydrophobicContact CG-CG2 4.4Å; K50-V337 PolarHBondContact NZ-O 2.86Å; T77-V337 HydrophobicContact CG2-CG2 3.71Å; V219-V337 HydrophobicContact CB-CG1 4.48Å; V219-V337 HydrophobicContact CG1-CB 4.07Å; V219-V337 HydrophobicContact CG1-CG1 4.3Å; V219-V337 HydrophobicContact CG2-CG1 4.18Å; V333-V337 HydrophobicContact CG1-CG1 4.23Å; V337-L345 HydrophobicContact CG2-CD1 3.64Å
338V97.7Very high98.1Very high8 Ų822.2 Ų22.25%0.04812%0.124CC..SBendtrans-56.2156.3178-63.90000114.3T223 R277 E279 L345T223-V338 HydrophobicContact CG2-CB 4.22Å; T223-V338 HydrophobicContact CG2-CG1 3.9Å; R277-V338 HydrophobicContact CB-CG1 3.98Å; E279-V338 HydrophobicContact CG-CG1 3.94Å; E279-V338 WeakPolarHBondContact OE1-CG1 3.4Å; E279-V338 PolarHBondContact OE1-N 3.5Å; V338-L345 HydrophobicContact CG2-CD2 3.95Å
339G97.4Very high98.2Very high11 Ų1122.3 Ų22.311%0.11312%0.123CC..SBendtrans89.4164.8170.300000114.5K50 V222K50-G339 PolarHBondContact NZ-O 3.03Å; V222-G339 WeakPolarHBondContact O-CA 3.42Å
340A97.4Very high98.1Very high33 Ų3321.6 Ų21.627%0.27312%0.121SC..  trans-81.7172.5174.100000111R343A340-R343 WeakPolarHBondContact O-CB 3.12Å; A340-R343 PolarHBondContact O-N 3.15Å
341K97.1Very high98.1Very high85 Ų8524.9 Ų24.937%0.3714%0.138SC..THydrogen-bonded Turntrans-56.6152.7167.2-53.2-177.7-173.8-171.60110.1K50 P321 R343K50-K341 CarbonylContact O-C 3.44Å; K50-K341 WeakPolarHBondContact O-CA 3.19Å; P321-K341 WeakPolarHBondContact O-CD 3.37Å; P321-K341 WeakPolarHBondContact O-CE 3.49Å; P321-K341 PolarHBondContact O-NZ 3.43Å; K341-R343 PolarHBondContact O-N 3.11Å
342K98Very high97.8Very high85 Ų8529.8 Ų29.837%0.3716%0.164SC..THydrogen-bonded Turntrans64.17.4-174.2-59.6176.5153.7146.70114.9K50 I173 R322 Y323K50-K342 PolarHBondContact O-N 2.97Å; I173-K342 HydrophobicContact CD1-CB 4.07Å; I173-K342 HydrophobicContact CD1-CG 4.22Å; I173-K342 HydrophobicContact CG1-CB 4.46Å; I173-K342 HydrophobicContact CG1-CD 4.4Å; I173-K342 HydrophobicContact CG1-CG 4.15Å; R322-K342 WeakPolarHBondContact O-CD 3.36Å; R322-K342 WeakPolarHBondContact O-CE 3.47Å; R322-K342 PolarHBondContact O-NZ 3.11Å; Y323-K342 HydrophobicContact CD2-CB 4.34Å; Y323-K342 HydrophobicContact CD2-CG 3.49Å; Y323-K342 VanDerWaalsContact CD2-CG 3.49Å; Y323-K342 HydrophobicContact CE2-CG 4Å; Y323-K342 HydrophobicContact CG-CG 4.45Å; Y323-K342 VanDerWaalsContact O-CE 3.23Å; Y323-K342 WeakPolarHBondContact O-CE 2.96Å; Y323-K342 PolarHBondContact O-NZ 2.89Å
343R98.3Very high97.5Very high29 Ų2936.1 Ų36.111%0.10920%0.203CC..  trans-80131.8179.3-176.46057.9129.55.5110.1H25 Y49 K50 A340 K341 L345H25-R343 PolarHBondContact CE1-NH1 3.25Å; H25-R343 PolarHBondContact ND1-NH1 2.8Å; Y49-R343 WeakPolarHBondContact CA-O 3.35Å; K50-R343 PolarHBondContact N-O 2.75Å; A340-R343 WeakPolarHBondContact O-CB 3.12Å; A340-R343 PolarHBondContact O-N 3.15Å; K341-R343 PolarHBondContact O-N 3.11Å; R343-L345 HydrophobicContact CG-CD2 4.32Å; R343-L345 PolarHBondContact O-N 3.32Å
344V98.4Very high97.2Very high1 Ų138.4 Ų38.41%0.00622%0.215CC..EExtended strand (participates in β ladder)trans-67.1129.2166.9660000110.4R26 L47 G48 Y49 H179R26-V344 HydrophobicContact CB-CG1 4.1Å; R26-V344 HydrophobicContact CG-CG1 4.27Å; L47-V344 HydrophobicContact CD2-CG2 4.17Å; G48-V344 CarbonylContact O-C 3.59Å; G48-V344 WeakPolarHBondContact O-CA 3.46Å; Y49-V344 HydrophobicContact CD1-CB 4.19Å; Y49-V344 HydrophobicContact CE1-CB 3.81Å; Y49-V344 HydrophobicContact CE1-CG2 4.08Å; H179-V344 HydrophobicContact CB-CG2 4.37Å
345L98.8Very high97Very high0 Ų041.7 Ų41.70%024%0.238CC..EExtended strand (participates in β ladder)trans-118.1144175.7-61.5178.6000108.4G48 K50 I79 V219 V337 V338 R343G48-L345 PolarHBondContact N-O 2.64Å; G48-L345 PolarHBondContact O-N 2.8Å; K50-L345 HydrophobicContact CB-CD1 3.89Å; K50-L345 HydrophobicContact CB-CG 4.44Å; I79-L345 HydrophobicContact CD1-CD1 3.84Å; I79-L345 HydrophobicContact CG1-CD1 4.26Å; V219-L345 HydrophobicContact CG1-CB 4.24Å; V219-L345 HydrophobicContact CG1-CD1 3.96Å; V219-L345 HydrophobicContact CG1-CD2 4.35Å; V219-L345 HydrophobicContact CG1-CG 4.42Å; V337-L345 HydrophobicContact CG2-CD1 3.64Å; V338-L345 HydrophobicContact CG2-CD2 3.95Å; R343-L345 HydrophobicContact CG-CD2 4.32Å; R343-L345 PolarHBondContact O-N 3.32Å
346T98.8Very high96.8Very high0 Ų043.7 Ų43.70%025%0.248CC..EExtended strand (participates in β ladder)trans-103.7115.5171.1-62.10000107.5G27 V29 A45 F46 L47 M181 I220G27-T346 PolarHBondContact O-OG1 2.88Å; G27-T346 VanDerWaalsContact O-OG1 3.12Å; V29-T346 HydrophobicContact CG2-CG2 3.54Å; A45-T346 HydrophobicContact CB-CG2 4.46Å; F46-T346 WeakPolarHBondContact O-CA 3.42Å; L47-T346 WeakPolarHBondContact CD2-OG1 3.23Å; M181-T346 HydrophobicContact CE-CG2 3.61Å; M181-T346 HydrophobicContact SD-CG2 4.06Å; I220-T346 PolarHBondContact N-O 3.5Å; I220-T346 PolarHBondContact O-N 3.01Å
347L98.6Very high96.4Very high0 Ų049.7 Ų49.70%026%0.26CS..EExtended strand (participates in β ladder)trans-88.5131174.4-51.2-178.7000106.9A45 F46 I79 T81 I207 F211 I217 V219 V331A45-L347 CarbonylContact C-O 3.18Å; A45-L347 WeakPolarHBondContact CA-O 3.43Å; A45-L347 WeakPolarHBondContact CB-O 3.41Å; F46-L347 PolarHBondContact N-O 3.37Å; F46-L347 PolarHBondContact O-N 3.22Å; I79-L347 HydrophobicContact CD1-CD2 3.89Å; T81-L347 HydrophobicContact CG2-CD1 4.16Å; I207-L347 HydrophobicContact CD1-CD1 4.26Å; F211-L347 HydrophobicContact CE2-CB 3.8Å; F211-L347 HydrophobicContact CZ-CB 3.85Å; I217-L347 HydrophobicContact CD1-CB 4.22Å; I217-L347 HydrophobicContact CD1-CD1 4.32Å; I217-L347 HydrophobicContact CD1-CD2 4.01Å; I217-L347 HydrophobicContact CD1-CG 4.4Å; V219-L347 HydrophobicContact CG1-CD2 4.2Å; V219-L347 HydrophobicContact CG2-CD2 3.92Å; V331-L347 HydrophobicContact CG2-CD1 4.22Å
348R98.6Very high96Very high10 Ų1056.7 Ų56.74%0.03829%0.286CS..EExtended strand (participates in β ladder)trans-128.8144.1178.6-172.9-166.461.6-167.2-5.9108.4V29 T31 T44 A45 D218 I220 L351V29-R348 HydrophobicContact CG1-CG 4.5Å; T31-R348 WeakPolarHBondContact O-CD 3Å; T31-R348 PolarHBondContact O-NH1 2.64Å; T44-R348 WeakPolarHBondContact O-CA 3.41Å; A45-R348 HydrophobicContact CB-CB 4.38Å; A45-R348 HydrophobicContact CB-CG 4.45Å; D218-R348 HydrophobicContact CB-CB 4.43Å; D218-R348 PolarHBondContact N-O 2.9Å; D218-R348 PolarHBondContact O-N 3Å; D218-R348 IonicContact OD2-CZ 2.72Å; D218-R348 IonicContact OD2-NE 2.64Å; D218-R348 PolarHBondContact OD2-NE 2.67Å; D218-R348 IonicContact OD2-NH2 2.57Å; D218-R348 PolarHBondContact OD2-NH2 3.38Å; I220-R348 HydrophobicContact CD1-CB 4.22Å; R348-L351 VanDerWaalsContact CZ-CG 3.49Å; R348-L351 VanDerWaalsContact NH2-CG 3.34Å
349K98.1Very high95.9Very high28 Ų2856.7 Ų56.712%0.12229%0.287CS..EExtended strand (participates in β ladder)trans-56.4150.1165.8-69.4-169172.9-76.30110.2P33 T44 V210 F211 E215P33-K349 HydrophobicContact CG-CB 3.96Å; T44-K349 PolarHBondContact O-N 3.13Å; V210-K349 WeakPolarHBondContact O-CE 3.29Å; V210-K349 PolarHBondContact O-NZ 3.28Å; F211-K349 HydrophobicContact CD1-CG 4.07Å; F211-K349 HydrophobicContact CE1-CB 4.4Å; F211-K349 HydrophobicContact CE1-CG 3.61Å; E215-K349 VanDerWaalsContact CD-NZ 3.35Å; E215-K349 WeakPolarHBondContact OE1-CG 3.4Å; E215-K349 IonicContact OE1-NZ 3.15Å; E215-K349 PolarHBondContact OE1-NZ 3.04Å; E215-K349 IonicContact OE2-NZ 3.45Å; E215-K349 PolarHBondContact OE2-NZ 2.81Å
350S97.1Very high95.6Very high19 Ų1963 Ų6313%0.13331%0.311CS..  trans-56.9145.4178.61780000110.8L352S350-L352 VanDerWaalsContact C-N 3.33Å; S350-L352 PolarHBondContact OG-N 2.96Å; S350-L352 PolarHBondContact OG-O 3.1Å
351L96.6Very high95.4Very high69 Ų6962.3 Ų62.336%0.36130%0.302SS..SBendtrans-83.4-16.6168.5-59.9-178.7000112.7T31 W32 P33 R348T31-L351 HydrophobicContact CG2-CD1 3.99Å; T31-L351 HydrophobicContact CG2-CD2 4.4Å; W32-L351 WeakPolarHBondContact O-CD2 3.41Å; P33-L351 HydrophobicContact CG-CD2 4.28Å; R348-L351 VanDerWaalsContact CZ-CG 3.49Å; R348-L351 VanDerWaalsContact NH2-CG 3.34Å
352L93.6Very high95.3Very high103 Ų10362.2 Ų62.254%0.53931%0.312SS..SBendtrans-102.7141.9-175-56.4176000109.1S350 L354S350-L352 VanDerWaalsContact C-N 3.33Å; S350-L352 PolarHBondContact OG-N 2.96Å; S350-L352 PolarHBondContact OG-O 3.1Å; L352-L354 HydrophobicContact CB-CD2 4.32Å
353T91.3Very high95.2Very high133 Ų13359 Ų5982%0.81630%0.299SS*.  trans-69.5126.7163.547.30000108.8
354L92.4Very high95Very high48 Ų4863.1 Ų63.125%0.25132%0.319SS..  trans-106.7101.9-171.1-64.8174.2000110.6M216 L352 A359 K360M216-L354 HydrophobicContact CB-CD1 3.16Å; M216-L354 HydrophobicContact CG-CD1 3.81Å; L352-L354 HydrophobicContact CB-CD2 4.32Å; L354-A359 HydrophobicContact CB-CB 3.87Å; L354-A359 HydrophobicContact CD1-CB 4.49Å; L354-K360 WeakPolarHBondContact O-CE 3.34Å
355T93.9Very high94.9Very high108 Ų10863.4 Ų63.466%0.66332%0.321SS*.  trans-102.4-18.7-176.153.60000113.4
356S93.4Very high94.8Very high63 Ų6364.9 Ų64.944%0.44133%0.327SS..SBendtrans-62.3143.7-176.174.60000112.8R358 A359 K360S356-R358 VanDerWaalsContact C-N 3.26Å; S356-R358 PolarHBondContact O-N 2.91Å; S356-A359 WeakPolarHBondContact O-CA 3.36Å; S356-A359 WeakPolarHBondContact O-CB 3.34Å; S356-A359 PolarHBondContact O-N 3.13Å; S356-A359 VanDerWaalsContact OG-CB 3.24Å; S356-A359 WeakPolarHBondContact OG-CB 3.36Å; S356-A359 PolarHBondContact OG-N 2.87Å; S356-K360 PolarHBondContact O-N 3.27Å; S356-K360 VanDerWaalsContact O-N 3.08Å
357R90.8Very high94.7Very high204 Ų20467.5 Ų67.577%0.7734%0.339SS*.Hα-helixtrans-53.2-42.8176.5-66.3-177.1-177.3175.50.2112.2A359 K360 E361R357-A359 VanDerWaalsContact C-N 3.28Å; R357-A359 PolarHBondContact O-N 3.21Å; R357-K360 PolarHBondContact O-N 3.5Å; R357-E361 PolarHBondContact O-N 3.13Å
358R90.8Very high94.7Very high153 Ų15367.5 Ų67.558%0.57734%0.339SS*.Hα-helixtrans-60.4-34.3176-179.1178.3175.7173.32.2113.2S356S356-R358 VanDerWaalsContact C-N 3.26Å; S356-R358 PolarHBondContact O-N 2.91Å
359A93.9Very high94.7Very high8 Ų867.4 Ų67.47%0.06634%0.339CS..Hα-helixtrans-78.1-31.5178.400000112.2M216 K283 L354 S356 R357M216-A359 HydrophobicContact CE-CB 4.23Å; M216-A359 HydrophobicContact CG-CB 4.09Å; K283-A359 PolarHBondContact NZ-O 3.45Å; L354-A359 HydrophobicContact CB-CB 3.87Å; L354-A359 HydrophobicContact CD1-CB 4.49Å; S356-A359 WeakPolarHBondContact O-CA 3.36Å; S356-A359 WeakPolarHBondContact O-CB 3.34Å; S356-A359 PolarHBondContact O-N 3.13Å; S356-A359 VanDerWaalsContact OG-CB 3.24Å; S356-A359 WeakPolarHBondContact OG-CB 3.36Å; S356-A359 PolarHBondContact OG-N 2.87Å; R357-A359 VanDerWaalsContact C-N 3.28Å; R357-A359 PolarHBondContact O-N 3.21Å
360K93Very high94.6Very high145 Ų14566.2 Ų66.263%0.6333%0.334SS*.Hα-helixtrans-90-7.4-179.9-67.6-177.7170.2179.70114.8L354 S356 R357 S362L354-K360 WeakPolarHBondContact O-CE 3.34Å; S356-K360 PolarHBondContact O-N 3.27Å; S356-K360 VanDerWaalsContact O-N 3.08Å; R357-K360 PolarHBondContact O-N 3.5Å; K360-S362 PolarHBondContact O-N 3.2Å
361E93.1Very high94.7Very high17 Ų1766 Ų668%0.07933%0.332CS..  trans-54.9124.9178.8-176179.7-17700111.9R58 R62 K283 R357 I363R58-E361 IonicContact CZ-OE1 3.47Å; R58-E361 IonicContact NH1-OE1 2.78Å; R58-E361 PolarHBondContact NH1-OE1 2.91Å; R58-E361 IonicContact NH2-OE1 3.85Å; R62-E361 IonicContact CZ-OE1 3.26Å; R62-E361 IonicContact CZ-OE2 3.94Å; R62-E361 IonicContact NE-OE1 3.98Å; R62-E361 IonicContact NE-OE2 2.57Å; R62-E361 PolarHBondContact NE-OE2 3.32Å; R62-E361 IonicContact NH2-OE1 3.29Å; R62-E361 IonicContact NH2-OE2 3.3Å; R62-E361 PolarHBondContact NH2-OE2 2.98Å; K283-E361 WeakPolarHBondContact CE-O 3.44Å; K283-E361 PolarHBondContact NZ-O 2.79Å; R357-E361 PolarHBondContact O-N 3.13Å; E361-I363 HydrophobicContact CG-CD1 4.3Å
362S94.4Very high94.7Very high84 Ų8463.9 Ų63.959%0.58732%0.323SS*.  trans-70.3142.3170.549.50000110.3D214 K360D214-S362 VanDerWaalsContact OD2-CA 3.3Å; D214-S362 WeakPolarHBondContact OD2-CA 3.14Å; K360-S362 PolarHBondContact O-N 3.2Å
363I95.2Very high94.9Very high18 Ų1861.7 Ų61.79%0.09231%0.309CS..  trans-110.6112-178.2-52.3-62.4000110.1D214 K283 F285 E361 L365D214-I363 VanDerWaalsContact CG-N 3.3Å; D214-I363 WeakPolarHBondContact OD1-CB 3.41Å; D214-I363 WeakPolarHBondContact OD1-CG1 3.27Å; D214-I363 PolarHBondContact OD1-N 2.54Å; D214-I363 PolarHBondContact OD2-N 2.69Å; K283-I363 HydrophobicContact CG-CD1 4.45Å; K283-I363 HydrophobicContact CG-CG1 4.19Å; F285-I363 HydrophobicContact CB-CG2 4.25Å; F285-I363 HydrophobicContact CD1-CB 4.46Å; F285-I363 HydrophobicContact CD1-CD1 4.35Å; F285-I363 HydrophobicContact CD1-CG1 3.94Å; F285-I363 HydrophobicContact CD1-CG2 3.97Å; F285-I363 HydrophobicContact CD2-CG2 4.27Å; F285-I363 HydrophobicContact CE1-CD1 3.93Å; F285-I363 HydrophobicContact CE1-CG1 4.04Å; F285-I363 HydrophobicContact CE1-CG2 4.32Å; F285-I363 HydrophobicContact CG-CG2 3.93Å; E361-I363 HydrophobicContact CG-CD1 4.3Å; I363-L365 HydrophobicContact CG2-CD2 3.75Å; I363-L365 HydrophobicContact CG2-CG 4.33Å
364E95Very high95.1Very high114 Ų11463.7 Ų63.753%0.53331%0.307SS..  trans-108.7117.5169.9-169.3178.2179.800109.7R58 Y307R58-E364 WeakPolarHBondContact CB-O 3.38Å; Y307-E364 HydrophobicContact CE2-CG 4.42Å; Y307-E364 WeakPolarHBondContact CE2-OE1 3.46Å
365L96.6Very high95.2Very high8 Ų864.2 Ų64.24%0.04232%0.324CS..EExtended strand (participates in β ladder)trans-89.9127.5-179.2-58.4179.4000109.7T56 R58 F285 R286 T305 M332 I363 I368T56-L365 HydrophobicContact CG2-CD1 4.42Å; T56-L365 HydrophobicContact CG2-CD2 4.46Å; R58-L365 HydrophobicContact CB-CD2 4.28Å; F285-L365 HydrophobicContact CB-CD2 4.44Å; F285-L365 HydrophobicContact CD2-CD2 3.99Å; R286-L365 HydrophobicContact CB-CD1 4.23Å; T305-L365 VanDerWaalsContact CB-O 3.24Å; T305-L365 WeakPolarHBondContact CB-O 3.43Å; T305-L365 HydrophobicContact CG2-CB 4.31Å; T305-L365 WeakPolarHBondContact CG2-O 3.27Å; M332-L365 HydrophobicContact CE-CD1 4.42Å; M332-L365 HydrophobicContact SD-CD1 3.74Å; I363-L365 HydrophobicContact CG2-CD2 3.75Å; I363-L365 HydrophobicContact CG2-CG 4.33Å; L365-I368 HydrophobicContact CD1-CD1 4.02Å; L365-I368 HydrophobicContact CD1-CG1 4.17Å
366K96.7Very high95.3Very high30 Ų3068 Ų6813%0.1333%0.334CS..EExtended strand (participates in β ladder)trans-85.2-39172.7-67.3-170.1175.1-179.40111.7L57 E59 E71 T305 Y307L57-K366 HydrophobicContact CD2-CB 4.35Å; L57-K366 PolarHBondContact O-N 3.3Å; E59-K366 WeakPolarHBondContact OE2-CE 3.34Å; E59-K366 IonicContact OE2-NZ 2.87Å; E59-K366 PolarHBondContact OE2-NZ 2.9Å; E71-K366 HydrophobicContact CG-CD 4.35Å; E71-K366 WeakPolarHBondContact OE1-CD 3.27Å; E71-K366 IonicContact OE1-NZ 3.79Å; E71-K366 PolarHBondContact OE1-NZ 2.63Å; T305-K366 PolarHBondContact OG1-O 3.26Å; Y307-K366 HydrophobicContact CD1-CG 4.49Å; Y307-K366 HydrophobicContact CD2-CB 4.19Å; Y307-K366 HydrophobicContact CD2-CG 3.77Å; Y307-K366 HydrophobicContact CE2-CG 3.93Å; Y307-K366 HydrophobicContact CG-CB 4.31Å; Y307-K366 HydrophobicContact CG-CG 4.07Å
367F96.8Very high95.4Very high55 Ų5566.2 Ų66.224%0.24133%0.325CS..EExtended strand (participates in β ladder)trans-148.5146.3-177.3171.4-99.9000112.3T56 L57 D308 D369 Q380T56-F367 CarbonylContact C-O 3.6Å; T56-F367 VanDerWaalsContact CA-O 3.23Å; T56-F367 WeakPolarHBondContact CA-O 3.35Å; T56-F367 WeakPolarHBondContact CB-O 3.37Å; L57-F367 HydrophobicContact CB-CB 3.77Å; L57-F367 HydrophobicContact CB-CD1 4.39Å; L57-F367 HydrophobicContact CD2-CB 4.3Å; L57-F367 PolarHBondContact N-O 3.15Å; L57-F367 PolarHBondContact O-N 3.49Å; D308-F367 WeakPolarHBondContact OD2-CD2 3.18Å; F367-D369 HydrophobicContact CE1-CB 3.76Å; F367-D369 HydrophobicContact CZ-CB 4.25Å; F367-Q380 HydrophobicContact CE2-CG 4.19Å; F367-Q380 VanDerWaalsContact CZ-CD 3.48Å; F367-Q380 HydrophobicContact CZ-CG 4.17Å
368I97.9Very high95.6Very high0 Ų066.8 Ų66.80%033%0.327CS..EExtended strand (participates in β ladder)trans-125.2123.2173.3-60.3166.8000108T54 T56 R286 A303 T305 K312 I314 M332 L365 T370T54-I368 HydrophobicContact CG2-CG2 4.31Å; T56-I368 HydrophobicContact CG2-CG1 3.97Å; T56-I368 HydrophobicContact CG2-CG2 4.46Å; R286-I368 VanDerWaalsContact NH1-CD1 3.27Å; A303-I368 HydrophobicContact CB-CB 4.4Å; A303-I368 HydrophobicContact CB-CD1 4.26Å; A303-I368 HydrophobicContact CB-CG2 4.19Å; T305-I368 HydrophobicContact CG2-CD1 4.25Å; T305-I368 HydrophobicContact CG2-CG1 4.27Å; K312-I368 PolarHBondContact NZ-O 2.78Å; I314-I368 HydrophobicContact CD1-CG2 3.69Å; M332-I368 HydrophobicContact CE-CD1 3.84Å; M332-I368 HydrophobicContact CE-CG1 4.14Å; M332-I368 HydrophobicContact CE-CG2 4.1Å; L365-I368 HydrophobicContact CD1-CD1 4.02Å; L365-I368 HydrophobicContact CD1-CG1 4.17Å; I368-T370 PolarHBondContact O-N 3.46Å
369D97.8Very high95.9Very high9 Ų961 Ų615%0.04831%0.306CS..  trans-78.4120.9-179.7176.146.2000111.5T54 H55 F367 T371 K373 Q380T54-D369 PolarHBondContact OG1-O 2.87Å; H55-D369 VanDerWaalsContact CE1-CB 3.43Å; H55-D369 WeakPolarHBondContact CE1-CB 3.2Å; H55-D369 IonicContact CE1-OD2 2.91Å; H55-D369 PolarHBondContact CE1-OD2 3.25Å; H55-D369 IonicContact ND1-OD2 3.32Å; H55-D369 PolarHBondContact ND1-OD2 3.06Å; H55-D369 WeakPolarHBondContact NE2-CB 3.34Å; H55-D369 IonicContact NE2-OD2 3.76Å; H55-D369 PolarHBondContact O-N 3.21Å; H55-D369 VanDerWaalsContact O-N 3.13Å; F367-D369 HydrophobicContact CE1-CB 3.76Å; F367-D369 HydrophobicContact CZ-CB 4.25Å; D369-T371 VanDerWaalsContact CG-OG1 3.22Å; D369-T371 WeakPolarHBondContact OD1-CB 3.36Å; D369-T371 VanDerWaalsContact OD1-CG2 3.27Å; D369-T371 WeakPolarHBondContact OD1-CG2 3.22Å; D369-T371 PolarHBondContact OD1-N 3.05Å; D369-T371 PolarHBondContact OD1-OG1 2.92Å; D369-T371 PolarHBondContact OD2-OG1 2.99Å; D369-K373 IonicContact OD1-NZ 3.81Å; D369-K373 WeakPolarHBondContact OD2-CE 3.31Å; D369-K373 IonicContact OD2-NZ 2.54Å; D369-K373 PolarHBondContact OD2-NZ 3.03Å; D369-Q380 PolarHBondContact OD1-NE2 3.18Å; D369-Q380 PolarHBondContact OD1-OE1 2.57Å
370T97.1Very high95.9Very high3 Ų362.3 Ų62.32%0.01831%0.311CS..  trans-117.613.8178.8590000112.1A303 K312 T313 P316 M317 I368 Q380A303-T370 HydrophobicContact CB-CG2 4.11Å; K312-T370 HydrophobicContact CD-CG2 3.87Å; K312-T370 WeakPolarHBondContact CD-OG1 3.39Å; K312-T370 HydrophobicContact CG-CG2 4.38Å; T313-T370 VanDerWaalsContact O-CG2 3.27Å; T313-T370 WeakPolarHBondContact O-CG2 3.49Å; P316-T370 CarbonylContact C-O 3.56Å; P316-T370 WeakPolarHBondContact CA-O 3.43Å; P316-T370 WeakPolarHBondContact CB-O 3.32Å; M317-T370 PolarHBondContact N-O 2.84Å; I368-T370 PolarHBondContact O-N 3.46Å; T370-Q380 PolarHBondContact OG1-O 3.26Å; T370-Q380 PolarHBondContact OG1-OE1 3.13Å
371T97.6Very high96Very high15 Ų1556.6 Ų56.69%0.09229%0.288CS..SBendtrans-55.3153.5170.853.20000112.4P316 D369 K373 G377 F379P316-T371 WeakPolarHBondContact CB-O 3.36Å; D369-T371 VanDerWaalsContact CG-OG1 3.22Å; D369-T371 WeakPolarHBondContact OD1-CB 3.36Å; D369-T371 VanDerWaalsContact OD1-CG2 3.27Å; D369-T371 WeakPolarHBondContact OD1-CG2 3.22Å; D369-T371 PolarHBondContact OD1-N 3.05Å; D369-T371 PolarHBondContact OD1-OG1 2.92Å; D369-T371 PolarHBondContact OD2-OG1 2.99Å; T371-K373 PolarHBondContact O-N 2.96Å; T371-K373 PolarHBondContact O-NZ 3.29Å; T371-K373 PolarHBondContact OG1-NZ 2.81Å; T371-G377 WeakPolarHBondContact CG2-O 3.29Å; T371-F379 WeakPolarHBondContact CA-O 3.39Å; T371-F379 VanDerWaalsContact CG2-O 3.29Å; T371-F379 WeakPolarHBondContact CG2-O 3.37Å
372S97.4Very high95.9Very high24 Ų2458.6 Ų58.617%0.16831%0.308CS..  trans-53.7126.2174.5175.50000111.1M317 F374 G377M317-S372 WeakPolarHBondContact O-CA 3.2Å; M317-S372 WeakPolarHBondContact O-CB 3.45Å; S372-F374 VanDerWaalsContact C-N 3.29Å; S372-F374 PolarHBondContact OG-N 3.2Å; S372-F374 VanDerWaalsContact OG-N 3.13Å; S372-F374 PolarHBondContact OG-O 2.83Å; S372-G377 PolarHBondContact O-N 3.21Å
373K97.3Very high95.7Very high57 Ų5761.3 Ų61.325%0.24831%0.311CS..THydrogen-bonded Turntrans-92.26.5173.1-54.5-62.8176.2-99.20112.4T54 P316 P321 D369 T371T54-K373 VanDerWaalsContact OG1-CE 3.27Å; T54-K373 WeakPolarHBondContact OG1-CE 3.33Å; P316-K373 HydrophobicContact CB-CG 4.09Å; P316-K373 HydrophobicContact CG-CG 4.04Å; P321-K373 HydrophobicContact CG-CB 3.8Å; P321-K373 WeakPolarHBondContact CG-O 3.17Å; D369-K373 IonicContact OD1-NZ 3.81Å; D369-K373 WeakPolarHBondContact OD2-CE 3.31Å; D369-K373 IonicContact OD2-NZ 2.54Å; D369-K373 PolarHBondContact OD2-NZ 3.03Å; T371-K373 PolarHBondContact O-N 2.96Å; T371-K373 PolarHBondContact O-NZ 3.29Å; T371-K373 PolarHBondContact OG1-NZ 2.81Å
374F95.8Very high95.6Very high175 Ų17564.3 Ų64.377%0.76833%0.325SS*.THydrogen-bonded Turntrans-105.889.6172.3-165.8-101.3000108.2P321 S372P321-F374 HydrophobicContact CB-CD2 4.34Å; P321-F374 HydrophobicContact CG-CB 4.33Å; S372-F374 VanDerWaalsContact C-N 3.29Å; S372-F374 PolarHBondContact OG-N 3.2Å; S372-F374 VanDerWaalsContact OG-N 3.13Å; S372-F374 PolarHBondContact OG-O 2.83Å
375G95Very high95.5Very high59 Ų5963.6 Ų63.661%0.60832%0.32SS*.THydrogen-bonded Turntrans93.8-153.4-168.200000112.2
376H96.2Very high95.3Very high188 Ų18870.7 Ų70.787%0.8735%0.346SS*.THydrogen-bonded Turntrans-105.886.7178.6-57.2145000109.9
377G94.8Very high95Very high25 Ų2572.5 Ų72.526%0.25837%0.366SS..  trans-67.2135.1177.400000112.1T371 S372T371-G377 WeakPolarHBondContact CG2-O 3.29Å; S372-G377 PolarHBondContact O-N 3.21Å
378R95.3Very high94.7Very high216 Ų21675.1 Ų75.182%0.81538%0.378SS*.  trans-106.7-18.4-179.7-64.6-175.6-179.9179.9-1.3114.9
379F96.2Very high94.3Very high30 Ų3079.2 Ų79.213%0.13240%0.398CS..  trans-117144.8-175.2-51.7-76.2000109.9M317 T371 E384 K385 F388M317-F379 HydrophobicContact CE-CB 4.01Å; M317-F379 WeakPolarHBondContact CE-O 3.47Å; M317-F379 HydrophobicContact SD-CB 4.24Å; T371-F379 WeakPolarHBondContact CA-O 3.39Å; T371-F379 VanDerWaalsContact CG2-O 3.29Å; T371-F379 WeakPolarHBondContact CG2-O 3.37Å; F379-E384 HydrophobicContact CB-CG 4.47Å; F379-E384 HydrophobicContact CD1-CG 4.11Å; F379-K385 HydrophobicContact CB-CB 3.89Å; F379-K385 HydrophobicContact CD1-CB 4.4Å; F379-K385 HydrophobicContact CD2-CB 3.67Å; F379-K385 HydrophobicContact CD2-CD 4.05Å; F379-K385 HydrophobicContact CD2-CG 3.57Å; F379-K385 HydrophobicContact CE2-CB 4.31Å; F379-K385 HydrophobicContact CE2-CD 4.5Å; F379-K385 HydrophobicContact CE2-CG 3.86Å; F379-K385 HydrophobicContact CG-CB 3.71Å; F379-K385 HydrophobicContact CG-CG 4.16Å; F379-F388 HydrophobicContact CD1-CB 4.46Å; F379-F388 HydrophobicContact CE1-CB 3.6Å; F379-F388 AromaticContact CE1-CD1 3.74Å; F379-F388 HydrophobicContact CE1-CD1 3.74Å; F379-F388 HydrophobicContact CE1-CD2 4.12Å; F379-F388 HydrophobicContact CE1-CE1 4.46Å; F379-F388 AromaticContact CE1-CG 3.54Å; F379-F388 HydrophobicContact CE1-CG 3.54Å; F379-F388 HydrophobicContact CZ-CB 4.04Å; F379-F388 AromaticContact CZ-CD1 3.43Å; F379-F388 HydrophobicContact CZ-CD1 3.43Å; F379-F388 VanDerWaalsContact CZ-CD1 3.43Å; F379-F388 HydrophobicContact CZ-CE1 4.02Å; F379-F388 AromaticContact CZ-CG 3.77Å; F379-F388 HydrophobicContact CZ-CG 3.77Å
380Q95Very high93.4Very high36 Ų3682.2 Ų82.217%0.16842%0.417CS..SBendtrans-81.1-36.3178.5-59.9-59.3-34.500111.5F367 D369 T370 E384F367-Q380 HydrophobicContact CE2-CG 4.19Å; F367-Q380 VanDerWaalsContact CZ-CD 3.48Å; F367-Q380 HydrophobicContact CZ-CG 4.17Å; D369-Q380 PolarHBondContact OD1-NE2 3.18Å; D369-Q380 PolarHBondContact OD1-OE1 2.57Å; T370-Q380 PolarHBondContact OG1-O 3.26Å; T370-Q380 PolarHBondContact OG1-OE1 3.13Å; Q380-E384 WeakPolarHBondContact CA-OE2 3.22Å; Q380-E384 VanDerWaalsContact CB-OE2 3.32Å; Q380-E384 WeakPolarHBondContact CB-OE2 3.42Å; Q380-E384 PolarHBondContact N-OE2 3.33Å
381T94.4Very high92.2Very high26 Ų2684.8 Ų84.816%0.1644%0.435CS..SBendtrans-127.8157.2-178.371.90000113K312 Q383 E384 K385K312-T381 HydrophobicContact CB-CG2 4.2Å; T381-Q383 PolarHBondContact O-N 3.06Å; T381-E384 PolarHBondContact N-OE2 2.88Å; T381-E384 PolarHBondContact O-N 3.06Å; T381-E384 WeakPolarHBondContact OG1-CB 3.43Å; T381-E384 PolarHBondContact OG1-N 2.98Å; T381-K385 PolarHBondContact O-N 2.76Å
382A91.5Very high91Very high58 Ų5886.4 Ų86.448%0.47945%0.445SS..Hα-helixtrans-68.1-24.5174.200000112.8R386A382-R386 WeakPolarHBondContact O-CB 3.4Å; A382-R386 WeakPolarHBondContact O-CG 3.33Å; A382-R386 PolarHBondContact O-N 3.41Å; A382-R386 VanDerWaalsContact O-N 3.17Å; A382-R386 PolarHBondContact O-NE 3.23Å; A382-R386 VanDerWaalsContact O-NE 3.15Å
383Q91.1Very high89.6Confident141 Ų14190.8 Ų90.866%0.65947%0.465SS*.Hα-helixtrans-72.3-48.9175-71173.4-9.100110.5T381 K385 R386 A387T381-Q383 PolarHBondContact O-N 3.06Å; Q383-K385 VanDerWaalsContact C-N 3.34Å; Q383-K385 PolarHBondContact O-N 3.47Å; Q383-R386 PolarHBondContact O-N 3.4Å; Q383-R386 VanDerWaalsContact O-N 3.1Å; Q383-A387 PolarHBondContact O-N 2.93Å
384E92.9Very high87.8Confident81 Ų8194.9 Ų94.938%0.37948%0.483SS..Hα-helixtrans-55.5-47.7174.2-177.5-162.1158.400111.6F379 Q380 T381 R386 A387 F388F379-E384 HydrophobicContact CB-CG 4.47Å; F379-E384 HydrophobicContact CD1-CG 4.11Å; Q380-E384 WeakPolarHBondContact CA-OE2 3.22Å; Q380-E384 VanDerWaalsContact CB-OE2 3.32Å; Q380-E384 WeakPolarHBondContact CB-OE2 3.42Å; Q380-E384 PolarHBondContact N-OE2 3.33Å; T381-E384 PolarHBondContact N-OE2 2.88Å; T381-E384 PolarHBondContact O-N 3.06Å; T381-E384 WeakPolarHBondContact OG1-CB 3.43Å; T381-E384 PolarHBondContact OG1-N 2.98Å; E384-R386 VanDerWaalsContact C-N 3.33Å; E384-R386 PolarHBondContact O-N 3.4Å; E384-A387 PolarHBondContact O-N 3.38Å; E384-F388 WeakPolarHBondContact O-CB 3.46Å; E384-F388 PolarHBondContact O-N 3.15Å
385K92.8Very high86.1Confident100 Ų10091.7 Ų91.744%0.43547%0.474SS..Hα-helixtrans-57.5-45175.1-179.1177.7178-172.50112F379 T381 Q383 M389F379-K385 HydrophobicContact CB-CB 3.89Å; F379-K385 HydrophobicContact CD1-CB 4.4Å; F379-K385 HydrophobicContact CD2-CB 3.67Å; F379-K385 HydrophobicContact CD2-CD 4.05Å; F379-K385 HydrophobicContact CD2-CG 3.57Å; F379-K385 HydrophobicContact CE2-CB 4.31Å; F379-K385 HydrophobicContact CE2-CD 4.5Å; F379-K385 HydrophobicContact CE2-CG 3.86Å; F379-K385 HydrophobicContact CG-CB 3.71Å; F379-K385 HydrophobicContact CG-CG 4.16Å; T381-K385 PolarHBondContact O-N 2.76Å; Q383-K385 VanDerWaalsContact C-N 3.34Å; Q383-K385 PolarHBondContact O-N 3.47Å; K385-M389 HydrophobicContact CG-CG 4.21Å; K385-M389 WeakPolarHBondContact O-CB 3.48Å; K385-M389 WeakPolarHBondContact O-CG 3.2Å; K385-M389 PolarHBondContact O-N 3.1Å
386R90.9Very high84.8Confident156 Ų15692.4 Ų92.459%0.58946%0.464SS*.Hα-helixtrans-65.5-45.9180-81.7-177.9-74.9157-8.6111.3A382 Q383 E384 F388 M389 V390A382-R386 WeakPolarHBondContact O-CB 3.4Å; A382-R386 WeakPolarHBondContact O-CG 3.33Å; A382-R386 PolarHBondContact O-N 3.41Å; A382-R386 VanDerWaalsContact O-N 3.17Å; A382-R386 PolarHBondContact O-NE 3.23Å; A382-R386 VanDerWaalsContact O-NE 3.15Å; Q383-R386 PolarHBondContact O-N 3.4Å; Q383-R386 VanDerWaalsContact O-N 3.1Å; E384-R386 VanDerWaalsContact C-N 3.33Å; E384-R386 PolarHBondContact O-N 3.4Å; R386-F388 VanDerWaalsContact C-N 3.31Å; R386-F388 PolarHBondContact O-N 3.45Å; R386-M389 PolarHBondContact O-N 3.35Å; R386-V390 WeakPolarHBondContact O-CB 3.42Å; R386-V390 VanDerWaalsContact O-CG2 3.23Å; R386-V390 WeakPolarHBondContact O-CG2 3.23Å; R386-V390 PolarHBondContact O-N 3.33Å
387A91.1Very high83.4Confident68 Ų6890.2 Ų90.256%0.56245%0.452SS*.Hα-helixtrans-57.1-45.6177.300000111.5Q383 E384 S391Q383-A387 PolarHBondContact O-N 2.93Å; E384-A387 PolarHBondContact O-N 3.38Å; A387-S391 PolarHBondContact O-N 3.17Å; A387-S391 PolarHBondContact O-OG 2.93Å
388F91.6Very high81.9Confident111 Ų11193.8 Ų93.849%0.48747%0.465SS..Hα-helixtrans-66.4-43.5176.8-174.8-87.5000113.2F379 E384 R386 S391 V392F379-F388 HydrophobicContact CD1-CB 4.46Å; F379-F388 HydrophobicContact CE1-CB 3.6Å; F379-F388 AromaticContact CE1-CD1 3.74Å; F379-F388 HydrophobicContact CE1-CD1 3.74Å; F379-F388 HydrophobicContact CE1-CD2 4.12Å; F379-F388 HydrophobicContact CE1-CE1 4.46Å; F379-F388 AromaticContact CE1-CG 3.54Å; F379-F388 HydrophobicContact CE1-CG 3.54Å; F379-F388 HydrophobicContact CZ-CB 4.04Å; F379-F388 AromaticContact CZ-CD1 3.43Å; F379-F388 HydrophobicContact CZ-CD1 3.43Å; F379-F388 VanDerWaalsContact CZ-CD1 3.43Å; F379-F388 HydrophobicContact CZ-CE1 4.02Å; F379-F388 AromaticContact CZ-CG 3.77Å; F379-F388 HydrophobicContact CZ-CG 3.77Å; E384-F388 WeakPolarHBondContact O-CB 3.46Å; E384-F388 PolarHBondContact O-N 3.15Å; R386-F388 VanDerWaalsContact C-N 3.31Å; R386-F388 PolarHBondContact O-N 3.45Å; F388-S391 PolarHBondContact O-OG 3.45Å; F388-V392 HydrophobicContact CD1-CG2 4.3Å; F388-V392 HydrophobicContact CE1-CG2 3.97Å; F388-V392 HydrophobicContact CZ-CG2 4.44Å; F388-V392 WeakPolarHBondContact O-CG2 3.23Å; F388-V392 PolarHBondContact O-N 2.79Å
389M88Confident80.2Confident86 Ų8690.7 Ų90.742%0.42446%0.458SS..Hα-helixtrans-74.4-33.4-176.6-67-65-69.100112.6K385 R386 V392 L393K385-M389 HydrophobicContact CG-CG 4.21Å; K385-M389 WeakPolarHBondContact O-CB 3.48Å; K385-M389 WeakPolarHBondContact O-CG 3.2Å; K385-M389 PolarHBondContact O-N 3.1Å; R386-M389 PolarHBondContact O-N 3.35Å; M389-V392 PolarHBondContact O-N 2.91Å; M389-L393 WeakPolarHBondContact O-CG 3.36Å; M389-L393 PolarHBondContact O-N 2.92Å
390V79.3Confident78.6Confident72 Ų7297.5 Ų97.544%0.43648%0.483SS..Hα-helixtrans-66.9-38.81771700000111R386 V392 L393 K394R386-V390 WeakPolarHBondContact O-CB 3.42Å; R386-V390 VanDerWaalsContact O-CG2 3.23Å; R386-V390 WeakPolarHBondContact O-CG2 3.23Å; R386-V390 PolarHBondContact O-N 3.33Å; V390-V392 VanDerWaalsContact C-N 3.33Å; V390-L393 PolarHBondContact O-N 2.92Å; V390-K394 HydrophobicContact CG1-CD 4.34Å; V390-K394 HydrophobicContact CG1-CG 4.5Å; V390-K394 WeakPolarHBondContact O-CB 3.41Å; V390-K394 WeakPolarHBondContact O-CG 3.48Å; V390-K394 PolarHBondContact O-N 3.48Å
391S72.3Confident76.9Confident57 Ų57101.4 Ų101.440%0.39950%0.5SS..Hα-helixtrans-63.8-40.3174.463.20000111.4A387 F388 K394 L395A387-S391 PolarHBondContact O-N 3.17Å; A387-S391 PolarHBondContact O-OG 2.93Å; F388-S391 PolarHBondContact O-OG 3.45Å; S391-K394 PolarHBondContact O-N 3.28Å; S391-L395 WeakPolarHBondContact O-CB 3.44Å; S391-L395 VanDerWaalsContact O-CG 3.23Å; S391-L395 WeakPolarHBondContact O-CG 3.46Å; S391-L395 PolarHBondContact O-N 3.31Å
392V71.3Confident75.3Confident49 Ų49102.6 Ų102.630%0.29751%0.512SS..Hα-helixtrans-62.9-44.8173.9174.10000112.1F388 M389 V390 L395 N396F388-V392 HydrophobicContact CD1-CG2 4.3Å; F388-V392 HydrophobicContact CE1-CG2 3.97Å; F388-V392 HydrophobicContact CZ-CG2 4.44Å; F388-V392 WeakPolarHBondContact O-CG2 3.23Å; F388-V392 PolarHBondContact O-N 2.79Å; M389-V392 PolarHBondContact O-N 2.91Å; V390-V392 VanDerWaalsContact C-N 3.33Å; V392-L395 PolarHBondContact O-N 3.41Å; V392-N396 WeakPolarHBondContact O-CB 3.37Å; V392-N396 VanDerWaalsContact O-CG 3.31Å; V392-N396 PolarHBondContact O-N 2.92Å; V392-N396 PolarHBondContact O-ND2 3.36Å
393L68.9Low73.7Confident115 Ų115108.6 Ų108.660%0.60252%0.523SS*.Hα-helixtrans-65.6-40.8178.4-73.4171.1000112.1M389 V390 N396 F397M389-L393 WeakPolarHBondContact O-CG 3.36Å; M389-L393 PolarHBondContact O-N 2.92Å; V390-L393 PolarHBondContact O-N 2.92Å; L393-N396 PolarHBondContact O-N 3.42Å; L393-F397 WeakPolarHBondContact O-CB 3.36Å; L393-F397 PolarHBondContact O-N 2.87Å
394K60.3Low72.1Confident143 Ų143104.8 Ų104.862%0.62251%0.511SS*.Hα-helixtrans-62.6-41.9173.1-77-176.9177.1-175.70112.1V390 S391 F397 N398V390-K394 HydrophobicContact CG1-CD 4.34Å; V390-K394 HydrophobicContact CG1-CG 4.5Å; V390-K394 WeakPolarHBondContact O-CB 3.41Å; V390-K394 WeakPolarHBondContact O-CG 3.48Å; V390-K394 PolarHBondContact O-N 3.48Å; S391-K394 PolarHBondContact O-N 3.28Å; K394-F397 PolarHBondContact O-N 3.33Å; K394-N398 WeakPolarHBondContact O-CB 3.45Å; K394-N398 VanDerWaalsContact O-CG 3.3Å; K394-N398 PolarHBondContact O-N 2.94Å
395L59.4Low70.4Confident109 Ų109107.9 Ų107.957%0.57152%0.524SS*.Hα-helixtrans-62.3-43.3175.1-76.1167.4000112S391 V392 N398 K399S391-L395 WeakPolarHBondContact O-CB 3.44Å; S391-L395 VanDerWaalsContact O-CG 3.23Å; S391-L395 WeakPolarHBondContact O-CG 3.46Å; S391-L395 PolarHBondContact O-N 3.31Å; V392-L395 PolarHBondContact O-N 3.41Å; L395-N398 PolarHBondContact O-N 2.91Å; L395-K399 PolarHBondContact O-N 3.19Å
396N67.3Low68.6Low74 Ų74111.1 Ų111.140%0.39654%0.538SS..Hα-helixtrans-65.7-45176.9-72.4-18.4000111.1V392 L393 N398 K399 Y400V392-N396 WeakPolarHBondContact O-CB 3.37Å; V392-N396 VanDerWaalsContact O-CG 3.31Å; V392-N396 PolarHBondContact O-N 2.92Å; V392-N396 PolarHBondContact O-ND2 3.36Å; L393-N396 PolarHBondContact O-N 3.42Å; N396-N398 VanDerWaalsContact C-N 3.34Å; N396-N398 PolarHBondContact O-N 3.37Å; N396-K399 WeakPolarHBondContact O-CB 3.5Å; N396-K399 PolarHBondContact O-N 3Å; N396-Y400 VanDerWaalsContact O-CD2 3.25Å; N396-Y400 WeakPolarHBondContact O-CD2 3.25Å; N396-Y400 PolarHBondContact O-N 3.48Å
397F66.4Low66.8Low141 Ų141110.4 Ų110.462%0.61854%0.544SS*.Hα-helixtrans-59.8-42.7176.7-170.4-97.6000112.2L393 K394 Y400 K401L393-F397 WeakPolarHBondContact O-CB 3.36Å; L393-F397 PolarHBondContact O-N 2.87Å; K394-F397 PolarHBondContact O-N 3.33Å; F397-Y400 PolarHBondContact O-N 3.41Å; F397-K401 WeakPolarHBondContact O-CB 3.48Å; F397-K401 PolarHBondContact O-N 2.85Å
398N64.6Low64.9Low100 Ų100113 Ų11354%0.53555%0.554SS.*Hα-helixtrans-65.8-37.3175.7-72.4-12.3000112.5K394 L395 N396 K401 A402K394-N398 WeakPolarHBondContact O-CB 3.45Å; K394-N398 VanDerWaalsContact O-CG 3.3Å; K394-N398 PolarHBondContact O-N 2.94Å; L395-N398 PolarHBondContact O-N 2.91Å; N396-N398 VanDerWaalsContact C-N 3.34Å; N396-N398 PolarHBondContact O-N 3.37Å; N398-K401 PolarHBondContact O-N 3.28Å; N398-A402 WeakPolarHBondContact O-CB 3.38Å; N398-A402 PolarHBondContact O-N 2.98Å
399K58.9Low62.6Low152 Ų152114.4 Ų114.466%0.66158%0.577SS**Hα-helixtrans-64.1-40.5172-84.4-176.6175.8-179.40112.6L395 N396 A402 R403L395-K399 PolarHBondContact O-N 3.19Å; N396-K399 WeakPolarHBondContact O-CB 3.5Å; N396-K399 PolarHBondContact O-N 3Å; K399-A402 PolarHBondContact O-N 3.47Å; K399-R403 PolarHBondContact O-N 2.91Å
400Y62.2Low61.3Low172 Ų172115.9 Ų115.968%0.67559%0.585SS**Hα-helixtrans-64.5-43.6174.5-88-78.3000111.6N396 F397 A402 R403 S404N396-Y400 VanDerWaalsContact O-CD2 3.25Å; N396-Y400 WeakPolarHBondContact O-CD2 3.25Å; N396-Y400 PolarHBondContact O-N 3.48Å; F397-Y400 PolarHBondContact O-N 3.41Å; Y400-A402 VanDerWaalsContact C-N 3.34Å; Y400-A402 PolarHBondContact O-N 3.47Å; Y400-R403 PolarHBondContact O-N 3.3Å; Y400-S404 PolarHBondContact O-N 3.03Å; Y400-S404 PolarHBondContact O-OG 2.91Å
401K60.1Low60.4Low118 Ų118118.2 Ų118.251%0.51359%0.593SS.*Hα-helixtrans-66-33.6177.1-163.3174.1-176177.10113F397 N398 S404 K405F397-K401 WeakPolarHBondContact O-CB 3.48Å; F397-K401 PolarHBondContact O-N 2.85Å; N398-K401 PolarHBondContact O-N 3.28Å; K401-S404 WeakPolarHBondContact CA-OG 3.44Å; K401-S404 PolarHBondContact O-OG 3.34Å; K401-K405 WeakPolarHBondContact O-CG 3.39Å; K401-K405 PolarHBondContact O-N 3.24Å
402A61.2Low59.7Low51 Ų51121.6 Ų121.642%0.42160%0.604SS.*Hα-helixtrans-68.5-45.3172.200000111.3N398 K399 Y400 K405 F406N398-A402 WeakPolarHBondContact O-CB 3.38Å; N398-A402 PolarHBondContact O-N 2.98Å; K399-A402 PolarHBondContact O-N 3.47Å; Y400-A402 VanDerWaalsContact C-N 3.34Å; Y400-A402 PolarHBondContact O-N 3.47Å; A402-K405 PolarHBondContact O-N 3.32Å; A402-F406 WeakPolarHBondContact O-CD2 3.44Å; A402-F406 PolarHBondContact O-N 3.27Å
403R58.1Low59.1Low184 Ų184125.8 Ų125.869%0.69462%0.622SS**Hα-helixtrans-64.8-38.1176.2-82.1-177171.1-177.3-4.7113.5K399 Y400 K405 F406 I407K399-R403 PolarHBondContact O-N 2.91Å; Y400-R403 PolarHBondContact O-N 3.3Å; R403-K405 VanDerWaalsContact C-N 3.3Å; R403-K405 PolarHBondContact O-N 3.32Å; R403-F406 PolarHBondContact O-N 3.46Å; R403-I407 WeakPolarHBondContact O-CG1 3.42Å; R403-I407 PolarHBondContact O-N 3.34Å
404S57.1Low58.4Low61 Ų61126.5 Ų126.543%0.42762%0.623SS.*Hα-helixtrans-66.8-33.4177.364.60000112Y400 K401 F406 I407 T408Y400-S404 PolarHBondContact O-N 3.03Å; Y400-S404 PolarHBondContact O-OG 2.91Å; K401-S404 WeakPolarHBondContact CA-OG 3.44Å; K401-S404 PolarHBondContact O-OG 3.34Å; S404-F406 VanDerWaalsContact C-N 3.32Å; S404-I407 PolarHBondContact O-N 3.28Å; S404-T408 PolarHBondContact O-N 3.46Å; S404-T408 PolarHBondContact O-OG1 3.44Å
405K57.1Low58.3Low146 Ų146125.4 Ų125.464%0.63562%0.623SS**Hα-helixtrans-67.8-28.8173.8-79.7-174.8172.5-165.50113.5K401 A402 R403 T408K401-K405 WeakPolarHBondContact O-CG 3.39Å; K401-K405 PolarHBondContact O-N 3.24Å; A402-K405 PolarHBondContact O-N 3.32Å; R403-K405 VanDerWaalsContact C-N 3.3Å; R403-K405 PolarHBondContact O-N 3.32Å; K405-T408 PolarHBondContact O-OG1 3.19Å
406F54.2Low58.2Low168 Ų168126.6 Ų126.674%0.73763%0.627SS**Hα-helixtrans-80.3-13.3175.5-91.6-78.9000114.1A402 R403 S404A402-F406 WeakPolarHBondContact O-CD2 3.44Å; A402-F406 PolarHBondContact O-N 3.27Å; R403-F406 PolarHBondContact O-N 3.46Å; S404-F406 VanDerWaalsContact C-N 3.32Å
407I54.1Low57.5Low141 Ų141130.6 Ų130.672%0.72365%0.645SS**Hα-helixtrans-96.7-12.7178.1-64.9166.9000110.9R403 S404R403-I407 WeakPolarHBondContact O-CG1 3.42Å; R403-I407 PolarHBondContact O-N 3.34Å; S404-I407 PolarHBondContact O-N 3.28Å
408T51.2Low56.8Low123 Ų123129.8 Ų129.876%0.75565%0.647SS**  trans-109.219178.157.50000113.3S404 K405S404-T408 PolarHBondContact O-N 3.46Å; S404-T408 PolarHBondContact O-OG1 3.44Å; K405-T408 PolarHBondContact O-OG1 3.19Å
409S43Very low56.1Low141 Ų141132.5 Ų132.599%0.98666%0.657SS**  trans-125.70168.360.90000107.6

Retrieved 409 of 409 residues in 540.5 ms (Link to these results)

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