A0A3Q0KFH7_SCHMA Loading...

Putative 60s ribosomal protein L3

AlphaFold DB , UniProt , Accession A0A3Q0KFH7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 419 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
1M61.4Low91.2Very high226 Ų226133.3 Ų133.3100%1.11368%0.678SS**  0118.80-73.2-172.2-153.300107.3
2S85.9Confident91.5Very high103 Ų103124.8 Ų124.872%0.7265%0.648SS**  trans-63.6173.5169.9-172.20000110.5
3H91.5Very high91.9Very high152 Ų152120.5 Ų120.570%0.70464%0.635SS**SBendtrans-51.8159.5170.969.9-84.2000111.1K5H3-K5 PolarHBondContact O-N 2.98Å
4R93.1Very high92.2Very high154 Ų154115.6 Ų115.658%0.58161%0.609SS**  trans-61.1113.5-179.9-179.2-176.71781792.3110.2F6 A8R4-F6 VanDerWaalsContact C-N 3.29Å; R4-F6 WeakPolarHBondContact CD-O 3.42Å; R4-F6 WeakPolarHBondContact CG-O 3.49Å; R4-F6 PolarHBondContact NE-O 2.95Å; R4-F6 PolarHBondContact O-N 2.93Å; R4-F6 VanDerWaalsContact O-N 3.14Å; R4-A8 PolarHBondContact NH1-O 3.36Å; R4-A8 VanDerWaalsContact NH2-CB 3.26Å
5K95Very high92.6Very high172 Ų172112.6 Ų112.675%0.74862%0.618SS**SBendtrans-48.1-42.6-177.6-172.7173.9-177.9171.10114.8H3H3-K5 PolarHBondContact O-N 2.98Å
6F95.8Very high92.8Very high156 Ų156112.3 Ų112.368%0.68461%0.609SS**SBendtrans-128.3116.6177.1-59.7-70000111R4R4-F6 VanDerWaalsContact C-N 3.29Å; R4-F6 WeakPolarHBondContact CD-O 3.42Å; R4-F6 WeakPolarHBondContact CG-O 3.49Å; R4-F6 PolarHBondContact NE-O 2.95Å; R4-F6 PolarHBondContact O-N 2.93Å; R4-F6 VanDerWaalsContact O-N 3.14Å
7S95.4Very high92.9Very high120 Ų120108.4 Ų108.484%0.83959%0.589SS**  trans-65.5135.8174-73.60000110.8
8A95.7Very high93Very high51 Ų51107.6 Ų107.642%0.42159%0.59SS.*  trans-145.4154.917100000109.8R4R4-A8 PolarHBondContact NH1-O 3.36Å; R4-A8 VanDerWaalsContact NH2-CB 3.26Å
9P97.2Very high93.2Very high117 Ų117103.5 Ų103.576%0.7657%0.566SS**  trans-56152.5178.6-24.733.9000112.6
10R95.5Very high93.3Very high127 Ų127104.6 Ų104.648%0.47957%0.565SS.*  trans-66.2136.1177.3-179.8175.5176.168.225.6111.7G12 S265R10-G12 PolarHBondContact O-N 2.8Å; R10-S265 VanDerWaalsContact NH2-C 3.32Å; R10-S265 PolarHBondContact NH2-O 3.27Å
11H96.4Very high93.5Very high88 Ų88107.1 Ų107.141%0.40757%0.566SS.*SBendtrans-71.698.7173.2-71.8-68.8000112.1W235 H236 T237H11-W235 VanDerWaalsContact O-CE3 3.28Å; H11-H236 PolarHBondContact CE1-O 2.9Å; H11-H236 PolarHBondContact ND1-O 3.17Å; H11-T237 HydrophobicContact CB-CG2 4.18Å
12G94.8Very high95.2Very high31 Ų3197.8 Ų97.832%0.3252%0.523SS..SBendtrans83.9142.5171.500000115R10R10-G12 PolarHBondContact O-N 2.8Å
13S96.9Very high95.7Very high69 Ų69104 Ų10448%0.48353%0.531SS..  trans-71.9135.7-179.6166.90000113G15S13-G15 PolarHBondContact OG-N 3.31Å
14L96.9Very high95.8Very high52 Ų52103 Ų10327%0.27252%0.521SS..G310 helixtrans-78.5-21.4175.9-68.6-179.6000113.3F16 T17L14-F16 PolarHBondContact O-N 3.49Å; L14-T17 HydrophobicContact CD2-CG2 4.04Å; L14-T17 WeakPolarHBondContact O-CB 3.09Å; L14-T17 PolarHBondContact O-N 3.31Å; L14-T17 PolarHBondContact O-OG1 3.3Å
15G97Very high95.8Very high71 Ų7199.4 Ų99.473%0.73251%0.513SS*.G310 helixtrans-63.5-13.7176.500000113.9S13S13-G15 PolarHBondContact OG-N 3.31Å
16F96.4Very high95.7Very high108 Ų10893.6 Ų93.647%0.47449%0.486SS..G310 helixtrans-10311.5174.4-63.7-69.3000113.9L14L14-F16 PolarHBondContact O-N 3.49Å
17T94.5Very high95.6Very high46 Ų4686.3 Ų86.328%0.28245%0.454SS..  trans-85.7148166.165.30000109.8L14 W235L14-T17 HydrophobicContact CD2-CG2 4.04Å; L14-T17 WeakPolarHBondContact O-CB 3.09Å; L14-T17 PolarHBondContact O-N 3.31Å; L14-T17 PolarHBondContact O-OG1 3.3Å; T17-W235 HydrophobicContact CG2-CH2 3.89Å
18P95.3Very high95.7Very high93 Ų9385.6 Ų85.660%0.60444%0.436SS*.SBendcis-71.9135.6-2.929.7-35000113K20P18-K20 HydrophobicContact CB-CD 4.45Å; P18-K20 HydrophobicContact CB-CG 4.38Å; P18-K20 HydrophobicContact CG-CD 4.3Å; P18-K20 HydrophobicContact CG-CG 4.36Å; P18-K20 PolarHBondContact O-N 3.45Å
19K95.6Very high95.7Very high31 Ų3183.7 Ų83.714%0.13542%0.42CS..  trans-82.961.4175.3-74.2-176.4176.1173.40111.5R234 W235 F275K19-R234 PolarHBondContact NZ-O 2.79Å; K19-R234 PolarHBondContact O-NH2 2.89Å; K19-R234 VanDerWaalsContact O-NH2 3.09Å; K19-W235 HydrophobicContact CD-CH2 3.9Å; K19-W235 HydrophobicContact CD-CZ2 3.75Å; K19-W235 HydrophobicContact CD-CZ3 4.43Å; K19-W235 VanDerWaalsContact NZ-CD2 3.32Å; K19-F275 HydrophobicContact CB-CE1 4.15Å; K19-F275 HydrophobicContact CB-CE2 4.46Å; K19-F275 HydrophobicContact CB-CZ 3.8Å; K19-F275 HydrophobicContact CG-CE2 4.38Å; K19-F275 HydrophobicContact CG-CZ 4.2Å
20K96.5Very high95.6Very high125 Ų12586.1 Ų86.154%0.54342%0.418SS..  trans-107.8161.5176.467.5-177.3179.5-172.70112P18 C22 F275P18-K20 HydrophobicContact CB-CD 4.45Å; P18-K20 HydrophobicContact CB-CG 4.38Å; P18-K20 HydrophobicContact CG-CD 4.3Å; P18-K20 HydrophobicContact CG-CG 4.36Å; P18-K20 PolarHBondContact O-N 3.45Å; K20-C22 PolarHBondContact O-N 3.08Å; K20-F275 VanDerWaalsContact O-CD1 3.23Å; K20-F275 WeakPolarHBondContact O-CD1 3.16Å
21R97.7Very high95.6Very high157 Ų15782.3 Ų82.359%0.59241%0.414SS*.  trans-55.6136.9173.1-76.8-176.852.3176.5-8.5110.4Q271 Y274R21-Q271 HydrophobicContact CG-CG 3.9Å; R21-Y274 HydrophobicContact CB-CD1 3.88Å; R21-Y274 HydrophobicContact CG-CD1 4.02Å; R21-Y274 HydrophobicContact CG-CG 4.46Å
22C96.5Very high95.7Very high31 Ų3179.2 Ų79.221%0.20940%0.4CS..  trans-65.2141.8171.5-167.70000110.4K20 R24 V222 Y274 H276K20-C22 PolarHBondContact O-N 3.08Å; C22-R24 PolarHBondContact SG-O 3.41Å; C22-V222 HydrophobicContact CB-CG2 4.14Å; C22-Y274 HydrophobicContact CB-CD1 4.5Å; C22-Y274 PolarHBondContact N-O 3.02Å; C22-Y274 WeakPolarHBondContact O-CE1 3.21Å; C22-H276 HydrophobicContact CB-CB 4.42Å
23R95.7Very high95.7Very high232 Ų23278.4 Ų78.488%0.87539%0.389SS*.SBendtrans-71.9-29.1176.2-68.7-177172.1176.1-2.4113
24R93.4Very high95.7Very high131 Ų13185.8 Ų85.849%0.49441%0.406SS..  trans-110.7139-178.6-64.5-178.5179.1-171.5-1.8109.3C22 V222C22-R24 PolarHBondContact SG-O 3.41Å; R24-V222 WeakPolarHBondContact O-CG2 3.43Å
25I93.2Very high95.6Very high80 Ų8086.2 Ų86.241%0.4141%0.409SS..SBendtrans-74.3-31.5175-167.8166.6000112.3V222I25-V222 VanDerWaalsContact O-CG2 3.23Å; I25-V222 WeakPolarHBondContact O-CG2 3.47Å
26R93.9Very high95.5Very high50 Ų5089.6 Ų89.619%0.18940%0.399CS..SBendtrans-80.4150.8174.686.8-177.8108.3-140.719.5111.5K28 I180 V360R26-K28 PolarHBondContact O-N 3.43Å; R26-I180 PolarHBondContact NH1-O 3.25Å; R26-I180 PolarHBondContact NH2-O 3.33Å; R26-V360 HydrophobicContact CB-CG1 3.94Å
27G93.9Very high95.4Very high2 Ų293.9 Ų93.92%0.02141%0.412CS..  trans-64.6113166.600000111.2C29 T362G27-C29 PolarHBondContact O-N 3.11Å; G27-T362 PolarHBondContact O-OG1 3.31Å; G27-T362 VanDerWaalsContact O-OG1 3.04Å
28K96.2Very high95.4Very high105 Ų10597 Ų9746%0.45744%0.436SS..  trans-75.6123.1170-174.8-178-179.5-177.40108.5R26 K30 H276R26-K28 PolarHBondContact O-N 3.43Å; K28-K30 PolarHBondContact O-N 3.16Å; K28-H276 PolarHBondContact N-NE2 3.3Å; K28-H276 PolarHBondContact O-CE1 2.83Å; K28-H276 PolarHBondContact O-NE2 3.14Å
29C95.4Very high95.4Very high12 Ų1296.2 Ų96.28%0.08143%0.427CS..  trans-68.1109.9163-1720000108.6G27 A31 F32 I220 R364G27-C29 PolarHBondContact O-N 3.11Å; C29-A31 PolarHBondContact SG-O 3.3Å; C29-F32 HydrophobicContact CB-CE1 3.91Å; C29-F32 HydrophobicContact CB-CE2 4.15Å; C29-F32 HydrophobicContact CB-CZ 3.67Å; C29-F32 VanDerWaalsContact SG-CD1 3.54Å; C29-F32 WeakPolarHBondContact SG-CE1 3.46Å; C29-I220 HydrophobicContact CB-CD1 4.32Å; C29-R364 WeakPolarHBondContact SG-CD 3.46Å
30K95.4Very high95.5Very high167 Ų16799.4 Ų99.473%0.72645%0.45SS*.  trans-88.2-26.1-179.5-66.6-175.7-178.1-179.70112.9K28K28-K30 PolarHBondContact O-N 3.16Å
31A96.5Very high95.6Very high48 Ų4894.5 Ų94.540%0.39743%0.431SS..SBendtrans-140135.5177.300000107.5C29 R364 L367C29-A31 PolarHBondContact SG-O 3.3Å; A31-R364 VanDerWaalsContact O-CD 3.3Å; A31-R364 WeakPolarHBondContact O-CD 3.41Å; A31-R364 PolarHBondContact O-NH1 2.69Å; A31-L367 HydrophobicContact CB-CD2 4.12Å
32F97.1Very high95.5Very high23 Ų2389.2 Ų89.210%0.10141%0.413CS..PPolyproline II helixtrans-98.1162.2172.4-72-84.9000109.5C29 T44 A45 E182 Q184 L367C29-F32 HydrophobicContact CB-CE1 3.91Å; C29-F32 HydrophobicContact CB-CE2 4.15Å; C29-F32 HydrophobicContact CB-CZ 3.67Å; C29-F32 VanDerWaalsContact SG-CD1 3.54Å; C29-F32 WeakPolarHBondContact SG-CE1 3.46Å; F32-T44 WeakPolarHBondContact CD1-OG1 3.28Å; F32-A45 HydrophobicContact CE1-CB 4.11Å; F32-E182 WeakPolarHBondContact CZ-O 3.3Å; F32-Q184 HydrophobicContact CB-CB 3.91Å; F32-Q184 HydrophobicContact CB-CG 4.43Å; F32-Q184 HydrophobicContact CD1-CB 3.74Å; F32-Q184 HydrophobicContact CD2-CB 3.8Å; F32-Q184 HydrophobicContact CE1-CB 4.15Å; F32-Q184 HydrophobicContact CE2-CB 4.23Å; F32-Q184 HydrophobicContact CG-CB 3.53Å; F32-Q184 HydrophobicContact CG-CG 4.47Å; F32-Q184 HydrophobicContact CZ-CB 4.38Å; F32-L367 WeakPolarHBondContact O-CD2 3.37Å
33P96.8Very high95.6Very high14 Ų1488.2 Ų88.29%0.09141%0.406CS..PPolyproline II helixtrans-51.6149.4171.3-22.631.7000111.3D35 T44 N186 K365P33-D35 PolarHBondContact O-N 3.44Å; P33-T44 HydrophobicContact CG-CG2 4.3Å; P33-N186 PolarHBondContact O-ND2 2.93Å; P33-K365 HydrophobicContact CG-CB 3.84Å
34R95.2Very high95.7Very high223 Ų22377.1 Ų77.184%0.84236%0.364SS*.PPolyproline II helixtrans-59.8137.1175.4-70.4-171.3177.7-170.40.3109.7N186R34-N186 PolarHBondContact O-ND2 3.39Å
35D96.1Very high95.9Very high62 Ų6270.9 Ų70.933%0.33234%0.34SS..PPolyproline II helixtrans-76.9139.2-179.7-176.436.1000110.9P33 N186 G187 K193P33-D35 PolarHBondContact O-N 3.44Å; D35-N186 WeakPolarHBondContact OD1-CA 3.47Å; D35-N186 WeakPolarHBondContact OD1-CB 3.23Å; D35-G187 PolarHBondContact OD1-N 3.5Å; D35-K193 IonicContact OD1-NZ 3.74Å; D35-K193 PolarHBondContact OD1-NZ 3.09Å; D35-K193 VanDerWaalsContact OD1-NZ 3.12Å; D35-K193 IonicContact OD2-NZ 3.4Å; D35-K193 PolarHBondContact OD2-NZ 3.37Å
36R94.1Very high96.2Very high141 Ų14167.1 Ų67.153%0.53232%0.321SS..  trans-132.2111.4-179.3-69.9-176.5175.5-169.9-6.4108.8S38 L39 G187R36-S38 PolarHBondContact O-N 3.34Å; R36-L39 HydrophobicContact CB-CD1 4.25Å; R36-L39 HydrophobicContact CB-CG 4.43Å; R36-L39 PolarHBondContact O-N 3.04Å; R36-G187 VanDerWaalsContact O-CA 3.31Å; R36-G187 WeakPolarHBondContact O-CA 3.27Å
37R94.2Very high96.4Very high198 Ų19864.8 Ų64.875%0.74731%0.312SS*.THydrogen-bonded Turntrans-65.5-24.5-174.8-65.6-175-178.81781.2114L39 G188R37-L39 VanDerWaalsContact C-N 3.26Å; R37-L39 PolarHBondContact O-N 3.02Å; R37-G188 WeakPolarHBondContact O-CA 3.43Å; R37-G188 PolarHBondContact O-N 3.35Å; R37-G188 VanDerWaalsContact O-N 3.16Å
38S95.6Very high96.5Very high112 Ų11264.7 Ų64.778%0.78331%0.311SS*.THydrogen-bonded Turntrans-69.1-19.5-179.954.70000114.5R36R36-S38 PolarHBondContact O-N 3.34Å
39L95.5Very high96.6Very high77 Ų7759.7 Ų59.740%0.40329%0.29SS..SBendtrans-89.3151.3177.4-62.5176000110.4R36 R37 G187 G188R36-L39 HydrophobicContact CB-CD1 4.25Å; R36-L39 HydrophobicContact CB-CG 4.43Å; R36-L39 PolarHBondContact O-N 3.04Å; R37-L39 VanDerWaalsContact C-N 3.26Å; R37-L39 PolarHBondContact O-N 3.02Å; L39-G187 CarbonylContact O-C 3.59Å; L39-G187 VanDerWaalsContact O-C 3.25Å; L39-G187 WeakPolarHBondContact O-CA 3.28Å; L39-G188 PolarHBondContact O-N 3.25Å
40P96.8Very high96.8Very high97 Ų9759.8 Ų59.863%0.6329%0.288SS*.PPolyproline II helixtrans-62.9153.317127.1-34.7000111.3H42P40-H42 PolarHBondContact O-N 2.89Å; P40-H42 PolarHBondContact O-ND1 2.85Å
41P97.6Very high96.9Very high23 Ų2351.8 Ų51.815%0.14925%0.254CS..PPolyproline II helixtrans-53.1125.8174.4-27.235.2000112.5V185 N186 Q192 W196P41-V185 HydrophobicContact CB-CG1 3.93Å; P41-N186 CarbonylContact C-O 3.57Å; P41-N186 VanDerWaalsContact CA-O 3.24Å; P41-N186 WeakPolarHBondContact CA-O 3.43Å; P41-Q192 HydrophobicContact CG-CB 4.03Å; P41-W196 HydrophobicContact CB-CB 3.85Å; P41-W196 HydrophobicContact CB-CD2 4.22Å; P41-W196 HydrophobicContact CB-CG 3.7Å; P41-W196 HydrophobicContact CG-CB 4.32Å; P41-W196 PolarHBondContact O-NE1 2.96Å
42H97.1Very high96.9Very high45 Ų4549.6 Ų49.621%0.20824%0.236CC..EExtended strand (participates in β ladder)trans-147.1156.7-17961.2-84.5000111.9P40 V185 N186P40-H42 PolarHBondContact O-N 2.89Å; P40-H42 PolarHBondContact O-ND1 2.85Å; H42-V185 WeakPolarHBondContact O-CA 3.41Å; H42-N186 PolarHBondContact N-O 2.69Å; H42-N186 PolarHBondContact ND1-O 3.16Å; H42-N186 PolarHBondContact O-N 2.81Å; H42-N186 VanDerWaalsContact O-N 3.07Å
43L97.8Very high97Very high10 Ų1051.8 Ų51.85%0.05225%0.247CC..EExtended strand (participates in β ladder)trans-77.9147.1174.3-68.5174.8000111.8A162 V183 V185 W196 I205 V210L43-A162 HydrophobicContact CD2-CB 4.13Å; L43-V183 HydrophobicContact CB-CG1 3.96Å; L43-V183 HydrophobicContact CD2-CB 3.93Å; L43-V183 HydrophobicContact CD2-CG1 3.59Å; L43-V183 HydrophobicContact CG-CG1 4.31Å; L43-V185 HydrophobicContact CD2-CG2 3.94Å; L43-W196 HydrophobicContact CD1-CH2 4.17Å; L43-W196 HydrophobicContact CD2-CH2 4.22Å; L43-W196 HydrophobicContact CD2-CZ3 4.05Å; L43-W196 HydrophobicContact CG-CH2 3.73Å; L43-W196 HydrophobicContact CG-CZ3 4.08Å; L43-I205 HydrophobicContact CD1-CD1 3.58Å; L43-I205 HydrophobicContact CD1-CG2 3.95Å; L43-V210 HydrophobicContact CB-CG1 4.15Å; L43-V210 HydrophobicContact CB-CG2 3.96Å; L43-V210 HydrophobicContact CD1-CG2 3.99Å
44T97.9Very high97.1Very high0 Ų051.6 Ų51.60%025%0.245CC..  trans-108.5-7.1-175.254.10000114.3F32 P33 Q184 N186 R364 K365F32-T44 WeakPolarHBondContact CD1-OG1 3.28Å; P33-T44 HydrophobicContact CG-CG2 4.3Å; T44-Q184 WeakPolarHBondContact CB-O 3.47Å; T44-Q184 VanDerWaalsContact CG2-O 3.32Å; T44-Q184 WeakPolarHBondContact CG2-O 3.18Å; T44-Q184 PolarHBondContact N-O 3.08Å; T44-Q184 PolarHBondContact OG1-O 3.08Å; T44-N186 HydrophobicContact CG2-CB 3.84Å; T44-N186 WeakPolarHBondContact CG2-ND2 3.43Å; T44-R364 WeakPolarHBondContact O-CA 3.32Å; T44-K365 PolarHBondContact O-N 2.81Å
45A98.2Very high97.2Very high0 Ų044.2 Ų44.20%022%0.22CC..EExtended strand (participates in β ladder)trans-156.2158.3-175.600000112.2F32 M181 V183 L363 R364F32-A45 HydrophobicContact CE1-CB 4.11Å; A45-M181 HydrophobicContact CB-CE 3.75Å; A45-V183 HydrophobicContact CB-CG1 4.08Å; A45-V183 WeakPolarHBondContact O-CG1 3.35Å; A45-L363 CarbonylContact C-O 3.46Å; A45-L363 WeakPolarHBondContact CA-O 3.47Å; A45-L363 WeakPolarHBondContact CB-O 3.19Å; A45-R364 HydrophobicContact CB-CB 4.41Å; A45-R364 HydrophobicContact CB-CG 4.44Å
46F98.4Very high97.3Very high1 Ų141.2 Ų41.20%0.00421%0.205CC..EExtended strand (participates in β ladder)trans-143166.4178.1-156.8-96.4000110.2C81 P82 M84 I205 V207 V210 F211 T362 L363F46-C81 HydrophobicContact CD1-CB 4.28Å; F46-C81 HydrophobicContact CE1-CB 3.79Å; F46-P82 WeakPolarHBondContact CZ-O 3.5Å; F46-M84 HydrophobicContact CB-SD 4.38Å; F46-M84 HydrophobicContact CD1-SD 3.98Å; F46-M84 HydrophobicContact CD2-CB 4.49Å; F46-M84 HydrophobicContact CD2-CG 4.18Å; F46-M84 HydrophobicContact CD2-SD 3.65Å; F46-M84 HydrophobicContact CE1-CG 4.03Å; F46-M84 HydrophobicContact CE1-SD 4.11Å; F46-M84 HydrophobicContact CE2-CB 3.82Å; F46-M84 HydrophobicContact CE2-CG 3.7Å; F46-M84 HydrophobicContact CE2-SD 3.83Å; F46-M84 HydrophobicContact CG-SD 3.73Å; F46-M84 HydrophobicContact CZ-CB 4.05Å; F46-M84 HydrophobicContact CZ-CG 3.61Å; F46-M84 HydrophobicContact CZ-SD 4.06Å; F46-I205 WeakPolarHBondContact CE2-O 3.19Å; F46-V207 HydrophobicContact CD1-CB 4.19Å; F46-V207 HydrophobicContact CD1-CG2 4Å; F46-V207 HydrophobicContact CE1-CB 4Å; F46-V207 HydrophobicContact CE1-CG2 4.32Å; F46-V207 HydrophobicContact CE2-CB 4.48Å; F46-V207 HydrophobicContact CG-CG2 4.23Å; F46-V207 HydrophobicContact CZ-CB 4.14Å; F46-V210 HydrophobicContact CD2-CG2 3.93Å; F46-F211 HydrophobicContact CB-CD2 4.39Å; F46-F211 HydrophobicContact CB-CE2 3.63Å; F46-T362 CarbonylContact O-C 3.52Å; F46-T362 WeakPolarHBondContact O-CA 3.46Å; F46-L363 PolarHBondContact N-O 3.47Å; F46-L363 PolarHBondContact O-N 2.9Å
47M98Very high97.5Very high0 Ų035.6 Ų35.60%019%0.186CC..EExtended strand (participates in β ladder)trans-118.6124.2171.2-84178.9-55.700110.6M84 T166 H179 M181 V360 I361M47-M84 HydrophobicContact CB-SD 4Å; M47-M84 HydrophobicContact CE-CE 4.03Å; M47-M84 HydrophobicContact CE-SD 4.4Å; M47-M84 PolarHBondContact N-SD 3.34Å; M47-T166 HydrophobicContact CB-CG2 3.55Å; M47-T166 HydrophobicContact CE-CG2 3.91Å; M47-H179 HydrophobicContact CE-CB 4.07Å; M47-H179 WeakPolarHBondContact CE-O 3.48Å; M47-H179 HydrophobicContact SD-CB 3.9Å; M47-M181 HydrophobicContact CB-SD 4.44Å; M47-M181 HydrophobicContact CE-CB 3.74Å; M47-M181 HydrophobicContact CE-CG 3.46Å; M47-M181 VanDerWaalsContact CE-CG 3.46Å; M47-M181 HydrophobicContact CE-SD 3.73Å; M47-M181 HydrophobicContact CG-SD 3.55Å; M47-M181 VanDerWaalsContact CG-SD 3.55Å; M47-M181 HydrophobicContact SD-CB 4.03Å; M47-M181 HydrophobicContact SD-CG 4.15Å; M47-M181 HydrophobicContact SD-SD 3.93Å; M47-V360 HydrophobicContact CB-CG2 4.24Å; M47-V360 HydrophobicContact CG-CG2 4.16Å; M47-V360 HydrophobicContact SD-CG2 4.07Å; M47-I361 WeakPolarHBondContact CA-O 3.34Å
48G97.7Very high97.6Very high0 Ų026.2 Ų26.20%015%0.15CC..EExtended strand (participates in β ladder)trans-116177.1168.800000111.8E80 V360 I361G48-E80 CarbonylContact C-O 3.56Å; G48-E80 VanDerWaalsContact CA-O 3.29Å; G48-E80 WeakPolarHBondContact CA-O 3.31Å; G48-V360 CarbonylContact O-C 3.45Å; G48-V360 WeakPolarHBondContact O-CA 3.44Å; G48-I361 PolarHBondContact N-O 3.4Å; G48-I361 PolarHBondContact O-N 2.91Å; G48-I361 VanDerWaalsContact O-O 3.14Å
49Y98.1Very high97.6Very high1 Ų124.2 Ų24.20%0.00413%0.129CC..EExtended strand (participates in β ladder)trans-125.1126.3178.1-63.1-94.6000108.8A51 M79 E80 P82 T166 M168 M171 H179 R359 V360Y49-A51 PolarHBondContact O-N 2.86Å; Y49-M79 CarbonylContact O-C 3.49Å; Y49-M79 VanDerWaalsContact O-CA 3.26Å; Y49-M79 WeakPolarHBondContact O-CA 3.4Å; Y49-E80 PolarHBondContact N-O 3.02Å; Y49-E80 PolarHBondContact O-N 3.25Å; Y49-P82 HydrophobicContact CD2-CG 4.21Å; Y49-P82 HydrophobicContact CE2-CG 4.02Å; Y49-T166 HydrophobicContact CE2-CG2 3.89Å; Y49-T166 WeakPolarHBondContact OH-CB 3.24Å; Y49-T166 PolarHBondContact OH-OG1 2.91Å; Y49-M168 HydrophobicContact CE1-CE 4.34Å; Y49-M168 HydrophobicContact CE1-SD 3.64Å; Y49-M168 HydrophobicContact CE2-SD 4.33Å; Y49-M168 PolarHBondContact OH-SD 3.37Å; Y49-M171 HydrophobicContact CD1-CE 3.94Å; Y49-M171 HydrophobicContact CD1-SD 4.23Å; Y49-M171 HydrophobicContact CD2-CE 3.41Å; Y49-M171 VanDerWaalsContact CD2-CE 3.41Å; Y49-M171 HydrophobicContact CD2-SD 3.29Å; Y49-M171 WeakPolarHBondContact CD2-SD 3.33Å; Y49-M171 HydrophobicContact CE1-CE 3.75Å; Y49-M171 HydrophobicContact CE2-CE 3.21Å; Y49-M171 HydrophobicContact CE2-SD 3.77Å; Y49-M171 HydrophobicContact CG-CE 3.78Å; Y49-M171 HydrophobicContact CG-SD 3.57Å; Y49-M171 VanDerWaalsContact CG-SD 3.57Å; Y49-H179 AromaticContact CE1-CE1 3.82Å; Y49-H179 AromaticContact CE1-ND1 3.65Å; Y49-H179 AromaticContact CZ-ND1 3.63Å; Y49-H179 PolarHBondContact OH-ND1 2.77Å; Y49-R359 WeakPolarHBondContact CA-O 3.29Å; Y49-V360 HydrophobicContact CD1-CB 4Å; Y49-V360 HydrophobicContact CD1-CG2 4.49Å; Y49-V360 HydrophobicContact CE1-CB 3.63Å; Y49-V360 HydrophobicContact CE1-CG2 3.94Å
50K98.2Very high97.6Very high13 Ų1320.6 Ų20.66%0.05711%0.11CC..EExtended strand (participates in β ladder)trans-65.9108.3-179.9-173.6176.7-173.7172.20110T77 C353 G355 R357 K358 R359 I361K50-T77 HydrophobicContact CD-CG2 4.19Å; K50-T77 HydrophobicContact CG-CG2 3.84Å; K50-C353 PolarHBondContact NZ-O 3.05Å; K50-G355 PolarHBondContact NZ-O 3Å; K50-G355 VanDerWaalsContact NZ-O 3.11Å; K50-R357 CarbonylContact O-C 3.54Å; K50-R357 VanDerWaalsContact O-CA 3.26Å; K50-R357 WeakPolarHBondContact O-CA 3.43Å; K50-K358 PolarHBondContact O-N 3.27Å; K50-R359 PolarHBondContact N-O 2.56Å; K50-I361 HydrophobicContact CB-CG1 4.29Å
51A97.8Very high97.4Very high0 Ų020.7 Ų20.70%011%0.105CC..EExtended strand (participates in β ladder)trans-77.7-58.6178.800000110.7Y49 I78 F336 Y339 V342 R357Y49-A51 PolarHBondContact O-N 2.86Å; A51-I78 HydrophobicContact CB-CB 4.48Å; A51-I78 HydrophobicContact CB-CG2 4.38Å; A51-I78 PolarHBondContact N-O 3.31Å; A51-F336 HydrophobicContact CB-CD2 4.22Å; A51-Y339 HydrophobicContact CB-CD1 3.62Å; A51-Y339 HydrophobicContact CB-CD2 4.32Å; A51-Y339 HydrophobicContact CB-CE1 3.45Å; A51-Y339 VanDerWaalsContact CB-CE1 3.45Å; A51-Y339 HydrophobicContact CB-CE2 4.19Å; A51-Y339 HydrophobicContact CB-CG 4.05Å; A51-Y339 WeakPolarHBondContact O-CB 3.38Å; A51-V342 HydrophobicContact CB-CG2 3.59Å; A51-R357 WeakPolarHBondContact O-CG 3.13Å
52G97.7Very high97.3Very high1 Ų122 Ų221%0.0111%0.107CC..EExtended strand (participates in β ladder)trans-174-162-176.500000112.2T77 I78G52-T77 WeakPolarHBondContact O-CG2 3.26Å; G52-I78 PolarHBondContact N-O 3.49Å; G52-I78 PolarHBondContact O-N 2.93Å
53M98.4Very high97.1Very high69 Ų6924.9 Ų24.934%0.3413%0.13SC..EExtended strand (participates in β ladder)trans-134.3147.9175.5-67.9-176.46800108.4P75 V76 T77 C352M53-P75 HydrophobicContact CE-CB 4.43Å; M53-V76 WeakPolarHBondContact CA-O 3.3Å; M53-V76 VanDerWaalsContact CB-O 3.3Å; M53-V76 WeakPolarHBondContact CB-O 3.41Å; M53-T77 HydrophobicContact CG-CG2 4.21Å; M53-T77 WeakPolarHBondContact CG-OG1 3.15Å; M53-C352 HydrophobicContact CE-CB 3.92Å; M53-C352 HydrophobicContact SD-CB 4.25Å
54T98Very high96.9Very high10 Ų1028.7 Ų28.76%0.06117%0.172CC..EExtended strand (participates in β ladder)trans-139.4-172.9169-165.30000108.4V76 I78 I384 D385T54-V76 HydrophobicContact CG2-CG2 3.53Å; T54-V76 PolarHBondContact N-O 3.33Å; T54-V76 WeakPolarHBondContact O-CG2 3.24Å; T54-V76 PolarHBondContact O-N 3.1Å; T54-V76 VanDerWaalsContact O-O 3.12Å; T54-I78 HydrophobicContact CG2-CD1 4.37Å; T54-I78 HydrophobicContact CG2-CG1 4.41Å; T54-I384 HydrophobicContact CG2-CG2 4.38Å; T54-D385 PolarHBondContact OG1-O 2.82Å; T54-D385 PolarHBondContact OG1-OD2 2.98Å
55H98.4Very high96.8Very high68 Ų6831 Ų3132%0.31519%0.188SC..EExtended strand (participates in β ladder)trans-120.4159.6168.463.4-81000110.2V73 E74 D385H55-V73 HydrophobicContact CB-CG1 3.9Å; H55-E74 WeakPolarHBondContact CA-O 3.29Å; H55-D385 VanDerWaalsContact CE1-CB 3.5Å; H55-D385 WeakPolarHBondContact CE1-CB 3.44Å; H55-D385 IonicContact CE1-OD1 2.75Å; H55-D385 IonicContact CE1-OD2 3.44Å; H55-D385 PolarHBondContact CE1-OD2 2.97Å; H55-D385 IonicContact ND1-OD2 2.82Å; H55-D385 PolarHBondContact ND1-OD2 3.34Å; H55-D385 VanDerWaalsContact ND1-OD2 3.11Å; H55-D385 IonicContact NE2-OD2 3.22Å; H55-D385 WeakPolarHBondContact O-CB 3.46Å; H55-D385 PolarHBondContact O-N 3.19Å; H55-D385 VanDerWaalsContact O-N 3.14Å
56I98.1Very high96.7Very high0 Ų040.4 Ų40.40%023%0.229CC..EExtended strand (participates in β ladder)trans-123.316117558.5148.6000109.5R58 V73 E74 V76 Y285 M348 L381 F383 I384I56-R58 HydrophobicContact CD1-CB 4.04Å; I56-R58 HydrophobicContact CD1-CG 3.9Å; I56-V73 VanDerWaalsContact O-CA 3.26Å; I56-V73 WeakPolarHBondContact O-CA 3.28Å; I56-E74 HydrophobicContact CG1-CB 4.21Å; I56-E74 WeakPolarHBondContact CG1-O 3.46Å; I56-E74 PolarHBondContact N-O 2.96Å; I56-E74 PolarHBondContact O-N 2.95Å; I56-V76 HydrophobicContact CD1-CG1 4.34Å; I56-V76 HydrophobicContact CG1-CG1 3.91Å; I56-V76 HydrophobicContact CG2-CG1 4.02Å; I56-V76 HydrophobicContact CG2-CG2 3.91Å; I56-Y285 HydrophobicContact CD1-CD2 3.46Å; I56-Y285 VanDerWaalsContact CD1-CD2 3.46Å; I56-Y285 HydrophobicContact CD1-CE2 3.58Å; I56-Y285 HydrophobicContact CG1-CD2 4.37Å; I56-Y285 HydrophobicContact CG1-CE2 4.48Å; I56-M348 HydrophobicContact CG2-CE 4.06Å; I56-M348 HydrophobicContact CG2-SD 3.67Å; I56-L381 HydrophobicContact CB-CD2 4.34Å; I56-L381 HydrophobicContact CD1-CD2 3.27Å; I56-L381 HydrophobicContact CG1-CD2 4.39Å; I56-L381 HydrophobicContact CG2-CD2 4.46Å; I56-F383 CarbonylContact C-O 3.46Å; I56-F383 WeakPolarHBondContact CA-O 3.28Å; I56-F383 WeakPolarHBondContact CB-O 3.32Å; I56-I384 HydrophobicContact CG2-CG1 4.06Å
57V98Very high96.6Very high23 Ų2343 Ų4314%0.13924%0.244CC..EExtended strand (participates in β ladder)trans-106.9131.8156.4-171.90000107.8E71 V72 V73 K382 F383V57-E71 HydrophobicContact CG1-CB 3.79Å; V57-E71 HydrophobicContact CG1-CG 4.31Å; V57-V72 WeakPolarHBondContact CA-O 3.41Å; V57-V73 HydrophobicContact CG2-CG2 4.26Å; V57-K382 HydrophobicContact CB-CB 4.46Å; V57-K382 HydrophobicContact CG1-CB 4.42Å; V57-K382 PolarHBondContact O-N 3.39Å; V57-F383 HydrophobicContact CB-CB 3.88Å; V57-F383 HydrophobicContact CG2-CB 3.98Å; V57-F383 HydrophobicContact CG2-CD1 4.09Å; V57-F383 HydrophobicContact CG2-CG 4.49Å; V57-F383 PolarHBondContact N-O 3.08Å; V57-F383 PolarHBondContact O-N 2.98Å; V57-F383 VanDerWaalsContact O-N 3.09Å
58R96.3Very high96.5Very high0 Ų045.5 Ų45.50%026%0.256CS..EExtended strand (participates in β ladder)trans-134.3153.7171.157.1171.4-91.194.5-8.9109.7I56 E71 V72 E377 I379 V380 L381I56-R58 HydrophobicContact CD1-CB 4.04Å; I56-R58 HydrophobicContact CD1-CG 3.9Å; R58-E71 WeakPolarHBondContact O-CA 3.42Å; R58-V72 HydrophobicContact CG-CG2 3.77Å; R58-V72 PolarHBondContact N-O 3.1Å; R58-V72 VanDerWaalsContact N-O 3.11Å; R58-V72 PolarHBondContact O-N 2.95Å; R58-E377 IonicContact CZ-OE1 3.77Å; R58-E377 IonicContact NH2-OE1 3.11Å; R58-E377 PolarHBondContact NH2-OE1 3.27Å; R58-I379 VanDerWaalsContact CZ-CD1 3.43Å; R58-I379 VanDerWaalsContact NH1-CG2 3.35Å; R58-V380 WeakPolarHBondContact CB-O 3.34Å; R58-L381 HydrophobicContact CB-CD2 4.29Å
59E95.4Very high96.3Very high70 Ų7052.5 Ų52.533%0.32729%0.286SS..EExtended strand (participates in β ladder)trans-82.3137.5164.7-167.5170.3147.800110.2K382E59-K382 WeakPolarHBondContact OE2-CE 3.43Å; E59-K382 IonicContact OE2-NZ 2.8Å; E59-K382 PolarHBondContact OE2-NZ 3.46Å
60V95.1Very high96.2Very high1 Ų160.3 Ų60.31%0.00632%0.316CS..  trans-97.1113-179.3-178.90000110.8R62 V67 H68 K69 R70 V72V60-R62 HydrophobicContact CG1-CB 3.94Å; V60-R62 HydrophobicContact CG1-CG 3.61Å; V60-R62 PolarHBondContact O-N 3.42Å; V60-V67 HydrophobicContact CB-CG2 4.43Å; V60-V67 WeakPolarHBondContact CB-O 3.31Å; V60-V67 HydrophobicContact CG1-CG2 4.16Å; V60-V67 HydrophobicContact CG2-CG2 4.48Å; V60-H68 CarbonylContact O-C 3.49Å; V60-H68 WeakPolarHBondContact O-CA 3.42Å; V60-K69 PolarHBondContact O-N 2.98Å; V60-R70 PolarHBondContact N-O 3.09Å; V60-V72 HydrophobicContact CG2-CB 3.99Å; V60-V72 HydrophobicContact CG2-CG1 3.54Å; V60-V72 HydrophobicContact CG2-CG2 3.2Å
61D93.6Very high96.1Very high100 Ų10065.3 Ų65.354%0.53534%0.339SS..  trans-94.883.6169.8-174.518000111.1H68D61-H68 IonicContact OD1-CE1 3.84Å; D61-H68 PolarHBondContact OD1-CE1 3.41Å; D61-H68 VanDerWaalsContact OD1-CE1 3.24Å; D61-H68 IonicContact OD1-ND1 2.9Å
62R94.2Very high96.1Very high50 Ų5066.6 Ų66.619%0.18935%0.347CS..  trans-136.889.5173.7-62.9180-170.7140.112.7111.6V60 G64 S65 H68 E377V60-R62 HydrophobicContact CG1-CB 3.94Å; V60-R62 HydrophobicContact CG1-CG 3.61Å; V60-R62 PolarHBondContact O-N 3.42Å; R62-G64 PolarHBondContact O-N 2.85Å; R62-S65 WeakPolarHBondContact O-CB 3.27Å; R62-S65 PolarHBondContact O-N 3.13Å; R62-H68 VanDerWaalsContact C-ND1 3.29Å; R62-H68 PolarHBondContact N-ND1 2.82Å; R62-H68 WeakPolarHBondContact O-CB 3.27Å; R62-H68 PolarHBondContact O-ND1 3.12Å; R62-E377 IonicContact CZ-OE1 3.16Å; R62-E377 IonicContact CZ-OE2 2.72Å; R62-E377 VanDerWaalsContact NE-CD 3.29Å; R62-E377 IonicContact NE-OE1 2.58Å; R62-E377 PolarHBondContact NE-OE1 3.1Å; R62-E377 IonicContact NE-OE2 2.78Å; R62-E377 PolarHBondContact NE-OE2 2.67Å; R62-E377 IonicContact NH2-OE1 3.43Å; R62-E377 PolarHBondContact NH2-OE1 3.08Å; R62-E377 IonicContact NH2-OE2 2.68Å; R62-E377 PolarHBondContact NH2-OE2 3.23Å
63P94.1Very high96.1Very high106 Ų10671.2 Ų71.269%0.68838%0.375SS*.THydrogen-bonded Turntrans-49.9136.9175.5-28.135.5000111.9S65P63-S65 VanDerWaalsContact C-N 3.32Å; P63-S65 PolarHBondContact O-N 2.99Å
64G94.3Very high96.1Very high90 Ų9069.1 Ų69.193%0.92836%0.364SS*.THydrogen-bonded Turntrans82.8-4.2-175.500000115.6R62R62-G64 PolarHBondContact O-N 2.85Å
65S94.6Very high96.1Very high48 Ų4872.2 Ų72.234%0.33638%0.384SS..SBendtrans-88.7142.9173.2-165.90000111.9R62 P63 V67 H68R62-S65 WeakPolarHBondContact O-CB 3.27Å; R62-S65 PolarHBondContact O-N 3.13Å; P63-S65 VanDerWaalsContact C-N 3.32Å; P63-S65 PolarHBondContact O-N 2.99Å; S65-V67 PolarHBondContact O-N 3.35Å; S65-V67 WeakPolarHBondContact OG-CG2 3.48Å; S65-H68 VanDerWaalsContact O-CB 3.25Å; S65-H68 WeakPolarHBondContact O-CB 3.38Å; S65-H68 PolarHBondContact O-N 3.37Å
66K96.6Very high96.1Very high198 Ų19869 Ų6986%0.86137%0.369SS*.THydrogen-bonded Turntrans-57.9-20.5171.4-65-171.7178-172.40114
67V95.2Very high96.2Very high54 Ų5469 Ų6933%0.32737%0.369SS..THydrogen-bonded Turntrans-103.711.4178.3-62.40000113V60 S65 K69 R70 V72V60-V67 HydrophobicContact CB-CG2 4.43Å; V60-V67 WeakPolarHBondContact CB-O 3.31Å; V60-V67 HydrophobicContact CG1-CG2 4.16Å; V60-V67 HydrophobicContact CG2-CG2 4.48Å; S65-V67 PolarHBondContact O-N 3.35Å; S65-V67 WeakPolarHBondContact OG-CG2 3.48Å; V67-K69 PolarHBondContact O-N 3.37Å; V67-R70 WeakPolarHBondContact O-CB 3.46Å; V67-R70 PolarHBondContact O-N 2.77Å; V67-R70 VanDerWaalsContact O-N 3.1Å; V67-V72 HydrophobicContact CB-CG1 4.09Å; V67-V72 HydrophobicContact CG1-CG1 4.35Å; V67-V72 HydrophobicContact CG2-CG1 4.44Å
68H95.7Very high96.2Very high54 Ų5467.9 Ų67.925%0.2536%0.363CS..THydrogen-bonded Turntrans-58.9133.8175.8-177.753.6000111V60 D61 R62 S65 R70V60-H68 CarbonylContact O-C 3.49Å; V60-H68 WeakPolarHBondContact O-CA 3.42Å; D61-H68 IonicContact OD1-CE1 3.84Å; D61-H68 PolarHBondContact OD1-CE1 3.41Å; D61-H68 VanDerWaalsContact OD1-CE1 3.24Å; D61-H68 IonicContact OD1-ND1 2.9Å; R62-H68 VanDerWaalsContact C-ND1 3.29Å; R62-H68 PolarHBondContact N-ND1 2.82Å; R62-H68 WeakPolarHBondContact O-CB 3.27Å; R62-H68 PolarHBondContact O-ND1 3.12Å; S65-H68 VanDerWaalsContact O-CB 3.25Å; S65-H68 WeakPolarHBondContact O-CB 3.38Å; S65-H68 PolarHBondContact O-N 3.37Å; H68-R70 PolarHBondContact O-N 3.2Å
69K94.8Very high96.3Very high146 Ų14667.9 Ų67.964%0.63536%0.363SS*.THydrogen-bonded Turntrans53.722.7-175.1-60.1-179.4-180-176.10113.7V60 V67V60-K69 PolarHBondContact O-N 2.98Å; V67-K69 PolarHBondContact O-N 3.37Å
70R95.9Very high96.4Very high166 Ų16664.7 Ų64.763%0.62635%0.348SS*.  trans-108153.3172.1-60.3-168.4-178.7-164-1.3110.3V60 V67 H68V60-R70 PolarHBondContact N-O 3.09Å; V67-R70 WeakPolarHBondContact O-CB 3.46Å; V67-R70 PolarHBondContact O-N 2.77Å; V67-R70 VanDerWaalsContact O-N 3.1Å; H68-R70 PolarHBondContact O-N 3.2Å
71E96.6Very high96.5Very high118 Ų11864.6 Ų64.655%0.55135%0.347SS*.EExtended strand (participates in β ladder)trans-77.3133.2173.7-60.9-168.5171.100110.3V57 R58 K382V57-E71 HydrophobicContact CG1-CB 3.79Å; V57-E71 HydrophobicContact CG1-CG 4.31Å; R58-E71 WeakPolarHBondContact O-CA 3.42Å; E71-K382 HydrophobicContact CG-CD 4.08Å; E71-K382 WeakPolarHBondContact OE1-CD 3.32Å; E71-K382 WeakPolarHBondContact OE1-CE 3.29Å; E71-K382 IonicContact OE1-NZ 2.7Å; E71-K382 PolarHBondContact OE1-NZ 3.07Å
72V97.5Very high96.7Very high26 Ų2659.9 Ų59.916%0.15832%0.322CS..EExtended strand (participates in β ladder)trans-127.1140.4174.9-59.80000110V57 R58 V60 V67 E74V57-V72 WeakPolarHBondContact CA-O 3.41Å; R58-V72 HydrophobicContact CG-CG2 3.77Å; R58-V72 PolarHBondContact N-O 3.1Å; R58-V72 VanDerWaalsContact N-O 3.11Å; R58-V72 PolarHBondContact O-N 2.95Å; V60-V72 HydrophobicContact CG2-CB 3.99Å; V60-V72 HydrophobicContact CG2-CG1 3.54Å; V60-V72 HydrophobicContact CG2-CG2 3.2Å; V67-V72 HydrophobicContact CB-CG1 4.09Å; V67-V72 HydrophobicContact CG1-CG1 4.35Å; V67-V72 HydrophobicContact CG2-CG1 4.44Å; V72-E74 HydrophobicContact CG2-CG 4.01Å
73V98Very high96.8Very high99 Ų9958.4 Ų58.460%0.632%0.319SS*.EExtended strand (participates in β ladder)trans-86.8122.1169.1-175.80000108.7H55 I56 V57H55-V73 HydrophobicContact CB-CG1 3.9Å; I56-V73 VanDerWaalsContact O-CA 3.26Å; I56-V73 WeakPolarHBondContact O-CA 3.28Å; V57-V73 HydrophobicContact CG2-CG2 4.26Å
74E98.1Very high97Very high24 Ų2453.6 Ų53.611%0.11229%0.287CS..EExtended strand (participates in β ladder)trans-124.6135.7175.7-72-168.8167.900112H55 I56 V72 Y285 K350H55-E74 WeakPolarHBondContact CA-O 3.29Å; I56-E74 HydrophobicContact CG1-CB 4.21Å; I56-E74 WeakPolarHBondContact CG1-O 3.46Å; I56-E74 PolarHBondContact N-O 2.96Å; I56-E74 PolarHBondContact O-N 2.95Å; V72-E74 HydrophobicContact CG2-CG 4.01Å; E74-Y285 VanDerWaalsContact OE2-CE2 3.3Å; E74-Y285 WeakPolarHBondContact OE2-CE2 3.46Å; E74-Y285 VanDerWaalsContact OE2-CZ 3.25Å; E74-Y285 PolarHBondContact OE2-OH 3.4Å; E74-K350 IonicContact OE1-NZ 2.86Å; E74-K350 PolarHBondContact OE1-NZ 3.41Å; E74-K350 WeakPolarHBondContact OE2-CE 3.49Å; E74-K350 IonicContact OE2-NZ 2.7Å; E74-K350 PolarHBondContact OE2-NZ 3.01Å
75P98.4Very high97.2Very high75 Ų7549.7 Ų49.749%0.48725%0.246SC..EExtended strand (participates in β ladder)trans-71.2141.8174.129.8-33.6000109.9M53 G351M53-P75 HydrophobicContact CE-CB 4.43Å; P75-G351 WeakPolarHBondContact O-CA 3.49Å; P75-G351 PolarHBondContact O-N 2.92Å
76V98.6Very high97.4Very high0 Ų047.5 Ų47.50%023%0.23CC..EExtended strand (participates in β ladder)trans-130.5150.9177.5-65.80000111.1M53 T54 I56 I78 Y285 M348 I349 G351M53-V76 WeakPolarHBondContact CA-O 3.3Å; M53-V76 VanDerWaalsContact CB-O 3.3Å; M53-V76 WeakPolarHBondContact CB-O 3.41Å; T54-V76 HydrophobicContact CG2-CG2 3.53Å; T54-V76 PolarHBondContact N-O 3.33Å; T54-V76 WeakPolarHBondContact O-CG2 3.24Å; T54-V76 PolarHBondContact O-N 3.1Å; T54-V76 VanDerWaalsContact O-O 3.12Å; I56-V76 HydrophobicContact CD1-CG1 4.34Å; I56-V76 HydrophobicContact CG1-CG1 3.91Å; I56-V76 HydrophobicContact CG2-CG1 4.02Å; I56-V76 HydrophobicContact CG2-CG2 3.91Å; V76-I78 HydrophobicContact CG2-CD1 4.24Å; V76-Y285 HydrophobicContact CG1-CD2 3.66Å; V76-Y285 HydrophobicContact CG1-CE2 4.14Å; V76-M348 HydrophobicContact CB-CG 3.65Å; V76-M348 HydrophobicContact CB-SD 4.18Å; V76-M348 HydrophobicContact CG1-CG 3.88Å; V76-M348 HydrophobicContact CG1-SD 4Å; V76-M348 HydrophobicContact CG2-CE 4.31Å; V76-M348 HydrophobicContact CG2-CG 3.87Å; V76-M348 HydrophobicContact CG2-SD 3.98Å; V76-I349 CarbonylContact C-O 3.42Å; V76-I349 VanDerWaalsContact CA-O 3.27Å; V76-I349 WeakPolarHBondContact CA-O 3.1Å; V76-I349 WeakPolarHBondContact CB-O 3.34Å; V76-G351 CarbonylContact C-O 3.43Å
77T98.7Very high97.4Very high0 Ų038.1 Ų38.10%019%0.189CC..EExtended strand (participates in β ladder)trans-106131.4169.3-58.30000109.4K50 G52 M53 M79 I349 G351 C352K50-T77 HydrophobicContact CD-CG2 4.19Å; K50-T77 HydrophobicContact CG-CG2 3.84Å; G52-T77 WeakPolarHBondContact O-CG2 3.26Å; M53-T77 HydrophobicContact CG-CG2 4.21Å; M53-T77 WeakPolarHBondContact CG-OG1 3.15Å; T77-M79 HydrophobicContact CG2-CG 4.3Å; T77-I349 PolarHBondContact N-O 3.45Å; T77-I349 WeakPolarHBondContact O-CG1 3.36Å; T77-I349 PolarHBondContact O-N 3.12Å; T77-G351 PolarHBondContact N-O 3.23Å; T77-G351 VanDerWaalsContact N-O 3.16Å; T77-G351 PolarHBondContact OG1-O 3.35Å; T77-C352 WeakPolarHBondContact OG1-CA 3.32Å
78I98.5Very high97.5Very high0 Ų035.5 Ų35.50%017%0.174CC..EExtended strand (participates in β ladder)trans-94.8125.8174.5-51.2-52.2000108.7A51 G52 T54 V76 I330 F336 V342 Y346 M348A51-I78 HydrophobicContact CB-CB 4.48Å; A51-I78 HydrophobicContact CB-CG2 4.38Å; A51-I78 PolarHBondContact N-O 3.31Å; G52-I78 PolarHBondContact N-O 3.49Å; G52-I78 PolarHBondContact O-N 2.93Å; T54-I78 HydrophobicContact CG2-CD1 4.37Å; T54-I78 HydrophobicContact CG2-CG1 4.41Å; V76-I78 HydrophobicContact CG2-CD1 4.24Å; I78-I330 HydrophobicContact CD1-CD1 3.8Å; I78-I330 HydrophobicContact CD1-CG1 3.96Å; I78-I330 HydrophobicContact CG1-CD1 4.18Å; I78-I330 HydrophobicContact CG1-CG1 3.98Å; I78-I330 HydrophobicContact CG2-CG1 3.95Å; I78-F336 HydrophobicContact CB-CE2 4.44Å; I78-F336 HydrophobicContact CB-CZ 4.1Å; I78-F336 HydrophobicContact CG1-CE2 4.5Å; I78-F336 HydrophobicContact CG1-CZ 3.79Å; I78-F336 HydrophobicContact CG2-CE2 4.42Å; I78-V342 HydrophobicContact CG2-CG2 4.31Å; I78-Y346 HydrophobicContact CG2-CD2 3.85Å; I78-Y346 HydrophobicContact CG2-CG 4.1Å; I78-M348 HydrophobicContact CD1-CB 3.88Å; I78-M348 HydrophobicContact CD1-CE 3.76Å; I78-M348 HydrophobicContact CD1-CG 3.72Å
79M98.1Very high97.6Very high0 Ų033 Ų330%016%0.162CC..EExtended strand (participates in β ladder)trans-118.5116.2174.8-63.7-178.7-61.400109.1Y49 T77 Y346 V347 I349 I361 L363Y49-M79 CarbonylContact O-C 3.49Å; Y49-M79 VanDerWaalsContact O-CA 3.26Å; Y49-M79 WeakPolarHBondContact O-CA 3.4Å; T77-M79 HydrophobicContact CG2-CG 4.3Å; M79-Y346 CarbonylContact O-C 3.52Å; M79-Y346 WeakPolarHBondContact O-CA 3.29Å; M79-Y346 WeakPolarHBondContact O-CB 3.47Å; M79-V347 HydrophobicContact CE-CB 4.34Å; M79-V347 HydrophobicContact CE-CG1 4.35Å; M79-V347 PolarHBondContact N-O 2.95Å; M79-V347 PolarHBondContact O-N 3.43Å; M79-I349 HydrophobicContact CE-CB 4.26Å; M79-I349 HydrophobicContact CE-CD1 3.64Å; M79-I349 HydrophobicContact CE-CG1 3.85Å; M79-I349 HydrophobicContact CE-CG2 3.42Å; M79-I349 VanDerWaalsContact CE-CG2 3.42Å; M79-I349 HydrophobicContact SD-CD1 3.96Å; M79-I361 HydrophobicContact SD-CB 4.34Å; M79-I361 HydrophobicContact SD-CG2 4.08Å; M79-L363 HydrophobicContact CE-CD1 3.9Å; M79-L363 HydrophobicContact CE-CD2 3.38Å; M79-L363 HydrophobicContact CE-CG 4.26Å; M79-L363 HydrophobicContact SD-CD2 3.75Å
80E97.9Very high97.8Very high3 Ų326.2 Ų26.21%0.01413%0.133CC..EExtended strand (participates in β ladder)trans-74.3128.8172.8-172.6169.3-173.700109.2G48 Y49 P82 Y339 V342 R343 N344G48-E80 CarbonylContact C-O 3.56Å; G48-E80 VanDerWaalsContact CA-O 3.29Å; G48-E80 WeakPolarHBondContact CA-O 3.31Å; Y49-E80 PolarHBondContact N-O 3.02Å; Y49-E80 PolarHBondContact O-N 3.25Å; E80-P82 WeakPolarHBondContact O-CD 3.31Å; E80-Y339 WeakPolarHBondContact CB-OH 3.41Å; E80-Y339 VanDerWaalsContact OE2-CE1 3.23Å; E80-Y339 WeakPolarHBondContact OE2-CE1 3.3Å; E80-Y339 PolarHBondContact OE2-OH 2.98Å; E80-V342 HydrophobicContact CB-CG1 4.11Å; E80-V342 HydrophobicContact CG-CG1 3.99Å; E80-R343 PolarHBondContact OE1-N 3.28Å; E80-N344 HydrophobicContact CG-CB 3.9Å; E80-N344 WeakPolarHBondContact OE1-CB 2.95Å; E80-N344 PolarHBondContact OE1-N 2.66Å; E80-N344 PolarHBondContact OE1-ND2 3.16Å
81C97.9Very high97.9Very high0 Ų018.3 Ų18.30%010%0.103CC..  trans-12475.6-171.5-76.20000108.5F46 V207 D345F46-C81 HydrophobicContact CD1-CB 4.28Å; F46-C81 HydrophobicContact CE1-CB 3.79Å; C81-V207 HydrophobicContact CB-CB 3.89Å; C81-V207 HydrophobicContact CB-CG1 3.95Å; C81-V207 HydrophobicContact CB-CG2 4.18Å; C81-D345 CarbonylContact C-O 3.49Å; C81-D345 WeakPolarHBondContact CA-O 3.38Å; C81-D345 PolarHBondContact N-O 2.88Å
82P96.9Very high98Very high0 Ų013.8 Ų13.80%08%0.081CC..PPolyproline II helixtrans-57.7146.317127.9-34.7000109.5F46 Y49 E80 M84 L170 M171 N344F46-P82 WeakPolarHBondContact CZ-O 3.5Å; Y49-P82 HydrophobicContact CD2-CG 4.21Å; Y49-P82 HydrophobicContact CE2-CG 4.02Å; E80-P82 WeakPolarHBondContact O-CD 3.31Å; P82-M84 PolarHBondContact O-N 2.88Å; P82-L170 HydrophobicContact CB-CB 4.44Å; P82-L170 HydrophobicContact CB-CD1 4.32Å; P82-M171 HydrophobicContact CG-CE 4.22Å; P82-M171 HydrophobicContact CG-CG 4.21Å; P82-M171 HydrophobicContact CG-SD 4.04Å; P82-N344 HydrophobicContact CB-CB 4.22Å
83P97.4Very high98Very high19 Ų1913 Ų1312%0.1238%0.077CC..PPolyproline II helixtrans-53.8143-179.620.6-32.2000111.3Q167 L170 Q204 I205P83-Q167 WeakPolarHBondContact O-CG 3.14Å; P83-L170 HydrophobicContact CG-CD1 3.87Å; P83-Q204 HydrophobicContact CB-CB 4.07Å; P83-I205 WeakPolarHBondContact CA-O 3.37Å
84M98Very high97.9Very high5 Ų511.9 Ų11.93%0.0257%0.072CC..EExtended strand (participates in β ladder)trans-97.6139.2175.9-75.3-178.150.300110.2F46 M47 P82 A164 H165 T166 M181 V183 I205F46-M84 HydrophobicContact CB-SD 4.38Å; F46-M84 HydrophobicContact CD1-SD 3.98Å; F46-M84 HydrophobicContact CD2-CB 4.49Å; F46-M84 HydrophobicContact CD2-CG 4.18Å; F46-M84 HydrophobicContact CD2-SD 3.65Å; F46-M84 HydrophobicContact CE1-CG 4.03Å; F46-M84 HydrophobicContact CE1-SD 4.11Å; F46-M84 HydrophobicContact CE2-CB 3.82Å; F46-M84 HydrophobicContact CE2-CG 3.7Å; F46-M84 HydrophobicContact CE2-SD 3.83Å; F46-M84 HydrophobicContact CG-SD 3.73Å; F46-M84 HydrophobicContact CZ-CB 4.05Å; F46-M84 HydrophobicContact CZ-CG 3.61Å; F46-M84 HydrophobicContact CZ-SD 4.06Å; M47-M84 HydrophobicContact CB-SD 4Å; M47-M84 HydrophobicContact CE-CE 4.03Å; M47-M84 HydrophobicContact CE-SD 4.4Å; M47-M84 PolarHBondContact N-SD 3.34Å; P82-M84 PolarHBondContact O-N 2.88Å; M84-A164 HydrophobicContact CE-CB 3.33Å; M84-H165 CarbonylContact C-O 3.25Å; M84-H165 VanDerWaalsContact CA-O 3.23Å; M84-H165 WeakPolarHBondContact CA-O 3.37Å; M84-T166 HydrophobicContact CG-CG2 4.02Å; M84-T166 HydrophobicContact SD-CG2 4.39Å; M84-M181 HydrophobicContact CE-CG 3.84Å; M84-M181 HydrophobicContact CE-SD 3.88Å; M84-V183 HydrophobicContact CE-CG2 4.29Å; M84-I205 PolarHBondContact N-O 3.47Å; M84-I205 PolarHBondContact O-N 2.98Å
85V97.9Very high97.9Very high9 Ų913.6 Ų13.66%0.0558%0.084CC..EExtended strand (participates in β ladder)trans-103128176.9-173.10000109.2V87 A164 H165 Q167 Q204V85-V87 HydrophobicContact CG1-CG1 4.15Å; V85-A164 CarbonylContact O-C 3.5Å; V85-A164 WeakPolarHBondContact O-CA 3.31Å; V85-H165 PolarHBondContact N-O 3.25Å; V85-H165 PolarHBondContact O-N 2.81Å; V85-Q167 HydrophobicContact CG2-CG 3.97Å; V85-Q204 HydrophobicContact CG2-CG 4.28Å
86I97.7Very high97.8Very high1 Ų115.6 Ų15.61%0.00511%0.107CC..EExtended strand (participates in β ladder)trans-79.9124169.4-63.3-176.4000108.5A162 A164 W196 I197 H200 F201 E202 I205I86-A162 HydrophobicContact CD1-CB 3.84Å; I86-A162 HydrophobicContact CG1-CB 4.25Å; I86-A162 HydrophobicContact CG2-CB 4.16Å; I86-A164 HydrophobicContact CG1-CB 4.26Å; I86-W196 HydrophobicContact CD1-CH2 4.48Å; I86-W196 HydrophobicContact CD1-CZ3 4.09Å; I86-I197 HydrophobicContact CG2-CG2 3.95Å; I86-H200 WeakPolarHBondContact CB-O 3.37Å; I86-H200 HydrophobicContact CD1-CB 3.9Å; I86-F201 HydrophobicContact CG2-CD1 3.83Å; I86-F201 HydrophobicContact CG2-CE1 4.17Å; I86-E202 PolarHBondContact O-N 3.05Å; I86-I205 HydrophobicContact CD1-CD1 3.29Å; I86-I205 HydrophobicContact CG1-CD1 3.64Å
87V97.2Very high97.7Very high1 Ų125.7 Ų25.71%0.00615%0.151CC..EExtended strand (participates in β ladder)trans-118.5-2.6-175.4-75.40000113.2V85 W106 A107 L110 F114 I163 H165V85-V87 HydrophobicContact CG1-CG1 4.15Å; V87-W106 HydrophobicContact CG2-CZ3 4.3Å; V87-A107 WeakPolarHBondContact O-CB 3.1Å; V87-A107 PolarHBondContact O-N 3.32Å; V87-L110 HydrophobicContact CB-CD2 3.55Å; V87-L110 HydrophobicContact CG1-CD2 3.76Å; V87-F114 HydrophobicContact CB-CE2 4.4Å; V87-F114 HydrophobicContact CG2-CD2 3.86Å; V87-F114 HydrophobicContact CG2-CE2 3.47Å; V87-F114 VanDerWaalsContact CG2-CE2 3.47Å; V87-F114 HydrophobicContact CG2-CZ 3.95Å; V87-I163 HydrophobicContact CG2-CB 4.37Å; V87-I163 HydrophobicContact CG2-CG2 4Å; V87-I163 VanDerWaalsContact CG2-O 3.29Å; V87-I163 WeakPolarHBondContact CG2-O 3.33Å; V87-I163 PolarHBondContact N-O 2.8Å; V87-H165 WeakPolarHBondContact CG1-CD2 3.49Å; V87-H165 WeakPolarHBondContact CG1-NE2 3.47Å
88G97.6Very high97.5Very high0 Ų027.4 Ų27.40%017%0.169CC..EExtended strand (participates in β ladder)trans177.1-177.3179.200000112V105 I163 F201G88-V105 CarbonylContact C-O 3.49Å; G88-V105 WeakPolarHBondContact CA-O 3.46Å; G88-I163 PolarHBondContact N-O 2.74Å; G88-I163 PolarHBondContact O-N 2.72Å; G88-F201 VanDerWaalsContact C-CE1 3.49Å
89M97.9Very high97.4Very high0 Ų031.7 Ų31.70%019%0.191CC..EExtended strand (participates in β ladder)trans-139.7152.2175.570.1177.180.500110.9T104 V105 L150 I153 R161 V194 I197 R198 F201M89-T104 CarbonylContact O-C 3.15Å; M89-T104 VanDerWaalsContact O-CA 3.29Å; M89-T104 WeakPolarHBondContact O-CA 3.4Å; M89-T104 WeakPolarHBondContact O-CG2 3.23Å; M89-V105 HydrophobicContact CG-CB 4.01Å; M89-V105 PolarHBondContact N-O 3.47Å; M89-V105 PolarHBondContact O-N 3.21Å; M89-L150 HydrophobicContact CE-CD2 3.75Å; M89-L150 HydrophobicContact SD-CD2 3.69Å; M89-I153 HydrophobicContact CG-CD1 4.5Å; M89-I153 HydrophobicContact SD-CD1 4.45Å; M89-R161 CarbonylContact C-O 3.54Å; M89-R161 VanDerWaalsContact CA-O 3.25Å; M89-R161 WeakPolarHBondContact CA-O 3.2Å; M89-V194 HydrophobicContact CE-CG1 4.3Å; M89-V194 HydrophobicContact SD-CG1 3.93Å; M89-I197 HydrophobicContact CB-CD1 4.24Å; M89-I197 HydrophobicContact CB-CG2 3.77Å; M89-I197 HydrophobicContact CE-CB 4.06Å; M89-I197 HydrophobicContact CE-CG2 4.01Å; M89-R198 HydrophobicContact CE-CB 4.06Å; M89-F201 HydrophobicContact CB-CE1 4.35Å; M89-F201 HydrophobicContact CB-CZ 4.42Å; M89-F201 HydrophobicContact CE-CE1 3.8Å; M89-F201 HydrophobicContact CE-CE2 4.27Å; M89-F201 HydrophobicContact CE-CZ 3.47Å; M89-F201 VanDerWaalsContact CE-CZ 3.47Å; M89-F201 HydrophobicContact CG-CZ 4.18Å
90V98.2Very high97.4Very high5 Ų538.4 Ų38.43%0.0322%0.217CC..EExtended strand (participates in β ladder)trans-123.5125.8172.6-172.50000108.9Y92 T101 K103 T104 R161 I163V90-Y92 HydrophobicContact CB-CD2 4.5Å; V90-Y92 HydrophobicContact CB-CE2 4.02Å; V90-Y92 HydrophobicContact CG1-CD2 4.06Å; V90-Y92 HydrophobicContact CG1-CE2 3.65Å; V90-T101 HydrophobicContact CG1-CG2 4.21Å; V90-K103 WeakPolarHBondContact CA-O 3.34Å; V90-T104 HydrophobicContact CG2-CG2 4.07Å; V90-R161 PolarHBondContact N-O 3.44Å; V90-R161 PolarHBondContact O-N 3.2Å; V90-I163 HydrophobicContact CG2-CD1 3.52Å; V90-I163 HydrophobicContact CG2-CG1 3.67Å
91G98.2Very high97.4Very high0 Ų042.1 Ų42.10%024%0.24CC..EExtended strand (participates in β ladder)trans-87.2136.7166.800000111F102 K103 C157G91-F102 WeakPolarHBondContact O-CB 3.37Å; G91-F102 PolarHBondContact O-N 3.47Å; G91-K103 PolarHBondContact N-O 2.89Å; G91-C157 VanDerWaalsContact C-SG 3.53Å; G91-C157 VanDerWaalsContact CA-SG 3.53Å
92Y98.4Very high97.3Very high22 Ų2244.7 Ų44.79%0.08625%0.251CS..EExtended strand (participates in β ladder)trans-115.7121.9174-76.1-94.1000110.2V90 L99 R100 T101 C157 T158 V159 R161 E182V90-Y92 HydrophobicContact CB-CD2 4.5Å; V90-Y92 HydrophobicContact CB-CE2 4.02Å; V90-Y92 HydrophobicContact CG1-CD2 4.06Å; V90-Y92 HydrophobicContact CG1-CE2 3.65Å; Y92-L99 HydrophobicContact CD1-CB 4.1Å; Y92-R100 WeakPolarHBondContact CA-O 3.42Å; Y92-T101 HydrophobicContact CD1-CG2 4.16Å; Y92-T101 HydrophobicContact CE1-CG2 3.43Å; Y92-T101 VanDerWaalsContact CE1-CG2 3.43Å; Y92-C157 CarbonylContact O-C 3.58Å; Y92-C157 VanDerWaalsContact O-CA 3.29Å; Y92-C157 WeakPolarHBondContact O-CA 3.47Å; Y92-C157 WeakPolarHBondContact O-CB 3.25Å; Y92-T158 PolarHBondContact O-N 3.44Å; Y92-V159 WeakPolarHBondContact CB-O 2.98Å; Y92-V159 PolarHBondContact N-O 3.19Å; Y92-V159 PolarHBondContact O-N 3.04Å; Y92-R161 HydrophobicContact CD2-CG 4.08Å; Y92-R161 HydrophobicContact CE2-CB 4.39Å; Y92-R161 HydrophobicContact CE2-CG 3.86Å; Y92-R161 PolarHBondContact OH-NH1 3.25Å; Y92-E182 WeakPolarHBondContact CE2-OE2 3.18Å; Y92-E182 PolarHBondContact OH-OE2 3.28Å
93A97.5Very high97.3Very high10 Ų1047.3 Ų47.38%0.08326%0.262CS..EExtended strand (participates in β ladder)trans-94.5139.517500000110.1R100 F102A93-R100 PolarHBondContact N-O 3.47Å; A93-R100 PolarHBondContact O-N 3.32Å; A93-F102 HydrophobicContact CB-CB 4.02Å; A93-F102 HydrophobicContact CB-CD2 4.04Å; A93-F102 HydrophobicContact CB-CG 4.25Å
94P96.7Very high97.4Very high76 Ų7649.1 Ų49.149%0.49427%0.273SS..EExtended strand (participates in β ladder)trans-69.8140171.332.6-34.3000109.6L99 T158P94-L99 HydrophobicContact CB-CD2 4.46Å; P94-T158 HydrophobicContact CB-CG2 4.48Å; P94-T158 HydrophobicContact CG-CG2 3.69Å
95T97.2Very high97.3Very high59 Ų5949.1 Ų49.136%0.36227%0.273SS..EExtended strand (participates in β ladder)trans-137.6164.4172.668.30000107.8K97 G98 R100T95-K97 PolarHBondContact O-N 3.03Å; T95-K97 VanDerWaalsContact O-N 3.11Å; T95-G98 WeakPolarHBondContact CA-O 3.14Å; T95-G98 WeakPolarHBondContact CB-O 3.02Å; T95-G98 PolarHBondContact N-O 3.04Å; T95-G98 PolarHBondContact O-N 3.09Å; T95-G98 PolarHBondContact OG1-O 3.13Å; T95-R100 HydrophobicContact CG2-CB 3.88Å
96A97Very high97.3Very high117 Ų11751.4 Ų51.497%0.96728%0.281SS*.THydrogen-bonded Turntrans-55.8-29.4176.200000113.1G98A96-G98 VanDerWaalsContact C-N 3.33Å
97K96.4Very high97.2Very high212 Ų21251.3 Ų51.392%0.92228%0.281SS*.THydrogen-bonded Turntrans-886.3177.9-59.5-176.9-178.2179.30113.8T95T95-K97 PolarHBondContact O-N 3.03Å; T95-K97 VanDerWaalsContact O-N 3.11Å
98G95.7Very high97.1Very high37 Ų3753.8 Ų53.838%0.38129%0.292SS..EExtended strand (participates in β ladder)trans109.7-160.6-176.600000113.7T95 A96T95-G98 WeakPolarHBondContact CA-O 3.14Å; T95-G98 WeakPolarHBondContact CB-O 3.02Å; T95-G98 PolarHBondContact N-O 3.04Å; T95-G98 PolarHBondContact O-N 3.09Å; T95-G98 PolarHBondContact OG1-O 3.13Å; A96-G98 VanDerWaalsContact C-N 3.33Å
99L96.5Very high97Very high89 Ų8959.5 Ų59.547%0.46632%0.319SS..EExtended strand (participates in β ladder)trans-79.1126.8-178.6-66.7173.8000110.8Y92 P94 V159Y92-L99 HydrophobicContact CD1-CB 4.1Å; P94-L99 HydrophobicContact CB-CD2 4.46Å; L99-V159 HydrophobicContact CD1-CB 4.42Å; L99-V159 HydrophobicContact CD1-CG2 4Å; L99-V159 HydrophobicContact CD2-CG2 4.4Å
100R97.4Very high96.8Very high142 Ų14260 Ų6054%0.53632%0.321SS..EExtended strand (participates in β ladder)trans-108.6139.3174.2-171.3176.567.5101.6-3.9110.3Y92 A93 T95 F102Y92-R100 WeakPolarHBondContact CA-O 3.42Å; A93-R100 PolarHBondContact N-O 3.47Å; A93-R100 PolarHBondContact O-N 3.32Å; T95-R100 HydrophobicContact CG2-CB 3.88Å; R100-F102 PolarHBondContact O-N 2.87Å
101T97.6Very high96.6Very high80 Ų8062.4 Ų62.449%0.49134%0.336SS..EExtended strand (participates in β ladder)trans-61.8118169.850.10000109.1V90 Y92V90-T101 HydrophobicContact CG1-CG2 4.21Å; Y92-T101 HydrophobicContact CD1-CG2 4.16Å; Y92-T101 HydrophobicContact CE1-CG2 3.43Å; Y92-T101 VanDerWaalsContact CE1-CG2 3.43Å
102F96.8Very high96.4Very high55 Ų5565.6 Ų65.624%0.24135%0.351CS..EExtended strand (participates in β ladder)trans-93.3-62.5-174.6-178.8-104.3000111.1G91 A93 R100 K152 Y156 C157G91-F102 WeakPolarHBondContact O-CB 3.37Å; G91-F102 PolarHBondContact O-N 3.47Å; A93-F102 HydrophobicContact CB-CB 4.02Å; A93-F102 HydrophobicContact CB-CD2 4.04Å; A93-F102 HydrophobicContact CB-CG 4.25Å; R100-F102 PolarHBondContact O-N 2.87Å; F102-K152 HydrophobicContact CE1-CB 3.74Å; F102-K152 HydrophobicContact CZ-CB 4.18Å; F102-Y156 HydrophobicContact CE1-CD2 4.11Å; F102-Y156 HydrophobicContact CE2-CD2 4.41Å; F102-Y156 HydrophobicContact CE2-CG 4.47Å; F102-Y156 AromaticContact CZ-CD2 3.59Å; F102-Y156 HydrophobicContact CZ-CD2 3.59Å; F102-Y156 HydrophobicContact CZ-CE2 4.46Å; F102-Y156 HydrophobicContact CZ-CG 4.02Å; F102-C157 VanDerWaalsContact CD1-SG 3.58Å
103K97Very high96.2Very high55 Ų5565 Ų6524%0.23935%0.349CS..EExtended strand (participates in β ladder)trans-144.2150.7177-77.3-176.7170.8-81.70111V90 G91 D149 K152 I153V90-K103 WeakPolarHBondContact CA-O 3.34Å; G91-K103 PolarHBondContact N-O 2.89Å; K103-D149 HydrophobicContact CD-CB 3.99Å; K103-D149 VanDerWaalsContact CD-OD1 3.29Å; K103-D149 WeakPolarHBondContact CD-OD1 3.13Å; K103-D149 WeakPolarHBondContact CE-OD1 3.44Å; K103-D149 IonicContact NZ-OD1 3.44Å; K103-D149 PolarHBondContact NZ-OD1 3.22Å; K103-D149 IonicContact NZ-OD2 2.67Å; K103-K152 HydrophobicContact CD-CB 4.29Å; K103-K152 HydrophobicContact CD-CD 4.37Å; K103-I153 HydrophobicContact CB-CD1 4.09Å; K103-I153 HydrophobicContact CB-CG1 3.96Å
104T97.5Very high96.2Very high56 Ų5664.6 Ų64.634%0.34435%0.345SS..EExtended strand (participates in β ladder)trans-121127.9174.1-56.80000108.7M89 V90 W106 I163M89-T104 CarbonylContact O-C 3.15Å; M89-T104 VanDerWaalsContact O-CA 3.29Å; M89-T104 WeakPolarHBondContact O-CA 3.4Å; M89-T104 WeakPolarHBondContact O-CG2 3.23Å; V90-T104 HydrophobicContact CG2-CG2 4.07Å; T104-W106 HydrophobicContact CG2-CD2 4.14Å; T104-W106 HydrophobicContact CG2-CH2 4.48Å; T104-W106 HydrophobicContact CG2-CZ2 3.73Å; T104-I163 HydrophobicContact CG2-CD1 3.69Å
105V97Very high96.2Very high6 Ų663.4 Ų63.44%0.03633%0.332CS..EExtended strand (participates in β ladder)trans-113.2127.7174.3178.90000107.5G88 M89 I146 D149 L150 I153 F201G88-V105 CarbonylContact C-O 3.49Å; G88-V105 WeakPolarHBondContact CA-O 3.46Å; M89-V105 HydrophobicContact CG-CB 4.01Å; M89-V105 PolarHBondContact N-O 3.47Å; M89-V105 PolarHBondContact O-N 3.21Å; V105-I146 HydrophobicContact CG1-CG2 4Å; V105-D149 HydrophobicContact CG2-CB 4.1Å; V105-L150 HydrophobicContact CB-CD2 4.45Å; V105-L150 HydrophobicContact CG1-CD2 4.34Å; V105-L150 HydrophobicContact CG2-CD2 4.12Å; V105-L150 HydrophobicContact CG2-CG 4.45Å; V105-I153 HydrophobicContact CG2-CD1 3.85Å; V105-F201 HydrophobicContact CG1-CE2 4.24Å; V105-F201 HydrophobicContact CG1-CZ 4.39Å
106W97.2Very high96.2Very high56 Ų5662.6 Ų62.621%0.21232%0.323CS..EExtended strand (participates in β ladder)trans-104.4147.8-179.8-64.3106000110.3V87 T104 F114 F130 W137 I163V87-W106 HydrophobicContact CG2-CZ3 4.3Å; T104-W106 HydrophobicContact CG2-CD2 4.14Å; T104-W106 HydrophobicContact CG2-CH2 4.48Å; T104-W106 HydrophobicContact CG2-CZ2 3.73Å; W106-F114 HydrophobicContact CE3-CZ 4.12Å; W106-F114 AromaticContact CH2-CZ 3.94Å; W106-F114 HydrophobicContact CH2-CZ 3.94Å; W106-F114 HydrophobicContact CZ3-CE1 4.29Å; W106-F114 HydrophobicContact CZ3-CE2 4.17Å; W106-F114 AromaticContact CZ3-CZ 3.43Å; W106-F114 HydrophobicContact CZ3-CZ 3.43Å; W106-F114 VanDerWaalsContact CZ3-CZ 3.43Å; W106-F130 AromaticContact CD1-CE1 3.95Å; W106-F130 HydrophobicContact CD2-CD1 4.4Å; W106-F130 AromaticContact CD2-CE1 3.6Å; W106-F130 HydrophobicContact CD2-CE1 3.6Å; W106-F130 HydrophobicContact CD2-CZ 4.38Å; W106-F130 AromaticContact CE2-CE1 3.58Å; W106-F130 HydrophobicContact CE3-CE1 4.09Å; W106-F130 HydrophobicContact CG-CD1 4.24Å; W106-F130 AromaticContact CG-CE1 3.86Å; W106-F130 HydrophobicContact CG-CE1 3.86Å; W106-F130 HydrophobicContact CH2-CE1 4.46Å; W106-F130 HydrophobicContact CH2-CZ 4.35Å; W106-F130 HydrophobicContact CZ2-CE1 4.03Å; W106-F130 HydrophobicContact CZ2-CZ 4.19Å; W106-F130 AromaticContact NE1-CE1 3.8Å; W106-W137 WeakPolarHBondContact O-CZ2 3.37Å; W106-W137 PolarHBondContact O-NE1 2.91Å; W106-W137 VanDerWaalsContact O-NE1 3.1Å; W106-I163 HydrophobicContact CE3-CD1 4.16Å; W106-I163 HydrophobicContact CH2-CD1 3.28Å; W106-I163 HydrophobicContact CH2-CG2 4.09Å; W106-I163 HydrophobicContact CZ2-CD1 3.84Å; W106-I163 HydrophobicContact CZ3-CB 4.19Å; W106-I163 HydrophobicContact CZ3-CD1 3.45Å; W106-I163 VanDerWaalsContact CZ3-CD1 3.45Å; W106-I163 HydrophobicContact CZ3-CG1 4.43Å; W106-I163 HydrophobicContact CZ3-CG2 3.81Å
107A96Very high96.1Very high0 Ų059.8 Ų59.80%029%0.287CS..  trans-65.9170.6171.300000112V87 L110 W137 F201 E202V87-A107 WeakPolarHBondContact O-CB 3.1Å; V87-A107 PolarHBondContact O-N 3.32Å; A107-L110 HydrophobicContact CB-CD2 4.42Å; A107-W137 PolarHBondContact O-NE1 3.5Å; A107-F201 HydrophobicContact CB-CB 4.11Å; A107-F201 HydrophobicContact CB-CD2 3.89Å; A107-F201 HydrophobicContact CB-CE2 4.47Å; A107-F201 HydrophobicContact CB-CG 4.04Å; A107-E202 HydrophobicContact CB-CG 3.71Å; A107-E202 WeakPolarHBondContact CB-OE1 3.21Å
108E94.9Very high96.1Very high53 Ų5354.6 Ų54.625%0.24827%0.265CS..SBendtrans-77.5-56.2-176.3-179.8171.6-17900110.7S134 W137 E202E108-S134 WeakPolarHBondContact O-CB 3.23Å; E108-S134 PolarHBondContact O-OG 2.71Å; E108-W137 VanDerWaalsContact CA-CD1 3.43Å; E108-W137 HydrophobicContact CB-CB 4.02Å; E108-W137 HydrophobicContact CB-CD2 4.06Å; E108-W137 HydrophobicContact CB-CG 3.64Å; E108-W137 HydrophobicContact CG-CB 3.7Å; E108-W137 HydrophobicContact CG-CG 3.88Å; E108-E202 WeakPolarHBondContact CA-OE1 3.27Å; E108-E202 WeakPolarHBondContact CB-OE1 3.34Å; E108-E202 PolarHBondContact N-OE1 3.02Å
109H95Very high96.1Very high120 Ų12055.2 Ų55.256%0.55626%0.256SS*.  trans-96.3109.3-176.6-55.4-59.9000110.7E202H109-E202 IonicContact CD2-OE2 3.25Å; H109-E202 PolarHBondContact CD2-OE2 2.93Å; H109-E202 VanDerWaalsContact CD2-OE2 3.28Å; H109-E202 IonicContact CG-OE2 3.8Å; H109-E202 PolarHBondContact N-OE1 3.11Å
110L95Very high96.1Very high9 Ų961.2 Ų61.25%0.04728%0.278CS..  trans-110.3120.7179.8-63.6173.8000110.5V87 A107 F114 K115 F130V87-L110 HydrophobicContact CB-CD2 3.55Å; V87-L110 HydrophobicContact CG1-CD2 3.76Å; A107-L110 HydrophobicContact CB-CD2 4.42Å; L110-F114 HydrophobicContact CB-CD1 4.09Å; L110-F114 HydrophobicContact CD1-CD1 4.44Å; L110-F114 HydrophobicContact CD1-CE1 4.05Å; L110-F114 HydrophobicContact CD2-CD1 4.17Å; L110-F114 HydrophobicContact CD2-CE1 4.06Å; L110-F114 HydrophobicContact CG-CD1 4.48Å; L110-F114 HydrophobicContact CG-CE1 4.46Å; L110-K115 WeakPolarHBondContact O-CE 3.33Å; L110-K115 PolarHBondContact O-NZ 3.34Å; L110-F130 HydrophobicContact CD1-CB 3.54Å; L110-F130 HydrophobicContact CD1-CD1 3.35Å; L110-F130 HydrophobicContact CD1-CD2 3.85Å; L110-F130 HydrophobicContact CD1-CE1 3.98Å; L110-F130 HydrophobicContact CD1-CE2 4.42Å; L110-F130 HydrophobicContact CD1-CG 3.27Å; L110-F130 HydrophobicContact CD1-CZ 4.48Å
111T94.4Very high96Very high57 Ų5758 Ų5835%0.3527%0.272SS..  trans-60.7152.3-177.963.30000112.7E113 F114 K115 H165T111-E113 VanDerWaalsContact C-N 3.31Å; T111-E113 PolarHBondContact O-N 2.67Å; T111-E113 WeakPolarHBondContact OG1-CG 3.11Å; T111-F114 WeakPolarHBondContact O-CB 3.05Å; T111-F114 PolarHBondContact O-N 3.37Å; T111-F114 WeakPolarHBondContact OG1-CB 3.37Å; T111-K115 PolarHBondContact O-N 2.88Å; T111-H165 PolarHBondContact OG1-CE1 3.45Å; T111-H165 VanDerWaalsContact OG1-CE1 3.24Å; T111-H165 PolarHBondContact OG1-NE2 3.02Å
112E93.9Very high95.9Very high67 Ų6755.2 Ų55.231%0.31325%0.252SS..Hα-helixtrans-60-40.9178.8-164.5-157.1125.900112.3F114 K115 R116 W122 R169E112-F114 VanDerWaalsContact C-N 3.26Å; E112-F114 PolarHBondContact O-N 2.89Å; E112-K115 PolarHBondContact O-N 3.28Å; E112-R116 WeakPolarHBondContact O-CG 3.41Å; E112-R116 PolarHBondContact O-N 2.82Å; E112-R116 IonicContact OE1-CZ 2.84Å; E112-R116 IonicContact OE1-NE 3.25Å; E112-R116 PolarHBondContact OE1-NE 3.18Å; E112-R116 IonicContact OE1-NH2 3.24Å; E112-R116 PolarHBondContact OE1-NH2 3.36Å; E112-W122 HydrophobicContact CG-CH2 3.67Å; E112-W122 HydrophobicContact CG-CZ2 3.15Å; E112-W122 PolarHBondContact OE1-NE1 2.9Å; E112-R169 IonicContact OE1-NH2 3.76Å; E112-R169 PolarHBondContact OE1-NH2 2.77Å; E112-R169 IonicContact OE2-CZ 3.97Å; E112-R169 IonicContact OE2-NH2 2.61Å; E112-R169 PolarHBondContact OE2-NH2 3.4Å
113E94.2Very high95.7Very high10 Ų1057.3 Ų57.35%0.04727%0.273CS..Hα-helixtrans-63.5-32179.955.3169.6-172.900112.9T111 H165 Q167 M168 R169 K176 S178T111-E113 VanDerWaalsContact C-N 3.31Å; T111-E113 PolarHBondContact O-N 2.67Å; T111-E113 WeakPolarHBondContact OG1-CG 3.11Å; E113-H165 IonicContact OE1-CE1 3.71Å; E113-H165 PolarHBondContact OE1-CE1 2.82Å; E113-H165 IonicContact OE1-ND1 3.05Å; E113-Q167 VanDerWaalsContact OE1-CA 3.32Å; E113-Q167 WeakPolarHBondContact OE1-CA 3.34Å; E113-Q167 WeakPolarHBondContact OE1-CG 3.37Å; E113-Q167 WeakPolarHBondContact OE2-CA 3.48Å; E113-M168 PolarHBondContact OE2-N 3.14Å; E113-R169 PolarHBondContact OE2-N 3.19Å; E113-K176 WeakPolarHBondContact CB-O 3.33Å; E113-S178 VanDerWaalsContact C-OG 3.29Å; E113-S178 PolarHBondContact O-N 2.74Å; E113-S178 PolarHBondContact O-OG 3.18Å
114F96.3Very high95.7Very high0 Ų063.6 Ų63.60%030%0.3CS..Hα-helixtrans-67.8-50.8169.7174.3-96.3000111.7V87 W106 L110 T111 E112 R116 R117 F118 F130 H165 S178 I180V87-F114 HydrophobicContact CB-CE2 4.4Å; V87-F114 HydrophobicContact CG2-CD2 3.86Å; V87-F114 HydrophobicContact CG2-CE2 3.47Å; V87-F114 VanDerWaalsContact CG2-CE2 3.47Å; V87-F114 HydrophobicContact CG2-CZ 3.95Å; W106-F114 HydrophobicContact CE3-CZ 4.12Å; W106-F114 AromaticContact CH2-CZ 3.94Å; W106-F114 HydrophobicContact CH2-CZ 3.94Å; W106-F114 HydrophobicContact CZ3-CE1 4.29Å; W106-F114 HydrophobicContact CZ3-CE2 4.17Å; W106-F114 AromaticContact CZ3-CZ 3.43Å; W106-F114 HydrophobicContact CZ3-CZ 3.43Å; W106-F114 VanDerWaalsContact CZ3-CZ 3.43Å; L110-F114 HydrophobicContact CB-CD1 4.09Å; L110-F114 HydrophobicContact CD1-CD1 4.44Å; L110-F114 HydrophobicContact CD1-CE1 4.05Å; L110-F114 HydrophobicContact CD2-CD1 4.17Å; L110-F114 HydrophobicContact CD2-CE1 4.06Å; L110-F114 HydrophobicContact CG-CD1 4.48Å; L110-F114 HydrophobicContact CG-CE1 4.46Å; T111-F114 WeakPolarHBondContact O-CB 3.05Å; T111-F114 PolarHBondContact O-N 3.37Å; T111-F114 WeakPolarHBondContact OG1-CB 3.37Å; E112-F114 VanDerWaalsContact C-N 3.26Å; E112-F114 PolarHBondContact O-N 2.89Å; F114-R116 PolarHBondContact O-N 2.8Å; F114-R117 VanDerWaalsContact O-CB 3.24Å; F114-R117 WeakPolarHBondContact O-CB 3.48Å; F114-R117 PolarHBondContact O-N 3.39Å; F114-F118 HydrophobicContact CD1-CE2 4.25Å; F114-F118 AromaticContact CE1-CE2 3.67Å; F114-F118 HydrophobicContact CE1-CE2 3.67Å; F114-F118 HydrophobicContact CE1-CZ 4.27Å; F114-F118 HydrophobicContact CE2-CE2 4.25Å; F114-F118 AromaticContact CZ-CE2 3.64Å; F114-F118 HydrophobicContact CZ-CE2 3.64Å; F114-F118 AromaticContact CZ-CZ 3.93Å; F114-F118 HydrophobicContact CZ-CZ 3.93Å; F114-F130 HydrophobicContact CD1-CE2 4.31Å; F114-F130 HydrophobicContact CE1-CD2 4.14Å; F114-F130 HydrophobicContact CE1-CE1 4.36Å; F114-F130 AromaticContact CE1-CE2 3.5Å; F114-F130 HydrophobicContact CE1-CE2 3.5Å; F114-F130 AromaticContact CE1-CZ 3.63Å; F114-F130 HydrophobicContact CE1-CZ 3.63Å; F114-F130 HydrophobicContact CZ-CE2 4.26Å; F114-F130 HydrophobicContact CZ-CZ 4.01Å; F114-H165 HydrophobicContact CD2-CB 4.04Å; F114-H165 AromaticContact CD2-CD2 3.57Å; F114-H165 AromaticContact CD2-CG 3.96Å; F114-H165 AromaticContact CG-CD2 3.97Å; F114-S178 WeakPolarHBondContact CA-OG 3.38Å; F114-S178 PolarHBondContact N-OG 2.8Å; F114-I180 HydrophobicContact CD2-CD1 3.55Å; F114-I180 HydrophobicContact CD2-CG1 3.67Å; F114-I180 HydrophobicContact CE2-CD1 3.17Å; F114-I180 HydrophobicContact CE2-CG1 3.6Å; F114-I180 HydrophobicContact CE2-CG2 4.14Å; F114-I180 HydrophobicContact CZ-CD1 3.9Å
115K96.8Very high95.6Very high51 Ų5162 Ų6222%0.22229%0.291CS..Hα-helixtrans-57.9-36.4177.8-68.5174.1177164.20112L110 T111 E112 R117 F118 Y119 W122 F130L110-K115 WeakPolarHBondContact O-CE 3.33Å; L110-K115 PolarHBondContact O-NZ 3.34Å; T111-K115 PolarHBondContact O-N 2.88Å; E112-K115 PolarHBondContact O-N 3.28Å; K115-R117 PolarHBondContact O-N 3.18Å; K115-F118 PolarHBondContact O-N 2.92Å; K115-Y119 WeakPolarHBondContact O-CD2 3.33Å; K115-W122 HydrophobicContact CB-CH2 3.82Å; K115-W122 HydrophobicContact CB-CZ3 3.65Å; K115-F130 HydrophobicContact CG-CD2 4.33Å
116R96.7Very high95.5Very high43 Ų4371 Ų7116%0.16233%0.33CS..G310 helixtrans-54.3-22.7172.6-78.1176.2179.5-96.85.2113.7E112 F114 F118 Y119 W122 K177E112-R116 WeakPolarHBondContact O-CG 3.41Å; E112-R116 PolarHBondContact O-N 2.82Å; E112-R116 IonicContact OE1-CZ 2.84Å; E112-R116 IonicContact OE1-NE 3.25Å; E112-R116 PolarHBondContact OE1-NE 3.18Å; E112-R116 IonicContact OE1-NH2 3.24Å; E112-R116 PolarHBondContact OE1-NH2 3.36Å; F114-R116 PolarHBondContact O-N 2.8Å; R116-F118 PolarHBondContact O-N 3.17Å; R116-Y119 PolarHBondContact O-N 2.73Å; R116-Y119 VanDerWaalsContact O-O 3.06Å; R116-W122 HydrophobicContact CB-CD2 4.48Å; R116-W122 HydrophobicContact CB-CE3 4.15Å; R116-W122 HydrophobicContact CG-CB 4.09Å; R116-W122 HydrophobicContact CG-CD2 3.37Å; R116-W122 HydrophobicContact CG-CE3 3.45Å; R116-W122 VanDerWaalsContact CG-CE3 3.45Å; R116-W122 HydrophobicContact CG-CG 3.67Å; R116-W122 HydrophobicContact CG-CZ3 4.07Å; R116-W122 VanDerWaalsContact NH2-NE1 3.2Å; R116-K177 HydrophobicContact CB-CB 4.26Å; R116-K177 HydrophobicContact CB-CG 4.16Å; R116-K177 PolarHBondContact O-NZ 3.36Å
117R95.3Very high95.4Very high57 Ų5773.5 Ų73.522%0.21534%0.342CS..G310 helixtrans-65.4-29.5177.5-171.355.759.3179.54112.4F114 K115 K177 S178 H179 I180F114-R117 VanDerWaalsContact O-CB 3.24Å; F114-R117 WeakPolarHBondContact O-CB 3.48Å; F114-R117 PolarHBondContact O-N 3.39Å; K115-R117 PolarHBondContact O-N 3.18Å; R117-K177 VanDerWaalsContact C-NZ 3.32Å; R117-K177 VanDerWaalsContact CD-CE 3.49Å; R117-K177 PolarHBondContact NH2-O 2.86Å; R117-K177 VanDerWaalsContact NH2-O 3.07Å; R117-K177 PolarHBondContact O-NZ 2.95Å; R117-S178 PolarHBondContact NE-O 2.93Å; R117-S178 PolarHBondContact NH2-O 3.49Å; R117-H179 PolarHBondContact NH2-CD2 2.91Å; R117-I180 HydrophobicContact CB-CD1 3.57Å; R117-I180 HydrophobicContact CB-CG1 4.16Å; R117-I180 HydrophobicContact CG-CD1 3.46Å; R117-I180 VanDerWaalsContact CG-CD1 3.46Å; R117-I180 HydrophobicContact CG-CG1 3.94Å
118F96.5Very high95.4Very high104 Ų10481.5 Ų81.546%0.45637%0.372SS..G310 helixtrans-85.5-11.8-177.7-60.8-91.4000113.7F114 K115 R116 A129 F130 I180F114-F118 HydrophobicContact CD1-CE2 4.25Å; F114-F118 AromaticContact CE1-CE2 3.67Å; F114-F118 HydrophobicContact CE1-CE2 3.67Å; F114-F118 HydrophobicContact CE1-CZ 4.27Å; F114-F118 HydrophobicContact CE2-CE2 4.25Å; F114-F118 AromaticContact CZ-CE2 3.64Å; F114-F118 HydrophobicContact CZ-CE2 3.64Å; F114-F118 AromaticContact CZ-CZ 3.93Å; F114-F118 HydrophobicContact CZ-CZ 3.93Å; K115-F118 PolarHBondContact O-N 2.92Å; R116-F118 PolarHBondContact O-N 3.17Å; F118-A129 HydrophobicContact CB-CB 4.39Å; F118-F130 HydrophobicContact CD1-CE2 4.35Å; F118-F130 AromaticContact CD2-CE2 3.61Å; F118-F130 HydrophobicContact CD2-CE2 3.61Å; F118-F130 HydrophobicContact CD2-CZ 4.32Å; F118-F130 HydrophobicContact CE1-CE2 4.1Å; F118-F130 AromaticContact CE1-CZ 3.91Å; F118-F130 HydrophobicContact CE1-CZ 3.91Å; F118-F130 AromaticContact CE2-CE2 3.35Å; F118-F130 HydrophobicContact CE2-CE2 3.35Å; F118-F130 AromaticContact CE2-CZ 3.67Å; F118-F130 HydrophobicContact CE2-CZ 3.67Å; F118-F130 HydrophobicContact CG-CE2 4.13Å; F118-F130 AromaticContact CZ-CE2 3.6Å; F118-F130 HydrophobicContact CZ-CE2 3.6Å; F118-F130 AromaticContact CZ-CZ 3.43Å; F118-F130 HydrophobicContact CZ-CZ 3.43Å; F118-F130 VanDerWaalsContact CZ-CZ 3.43Å; F118-I180 HydrophobicContact CE2-CD1 3.79Å; F118-I180 HydrophobicContact CZ-CD1 4.05Å
119Y96.8Very high95.4Very high49 Ų4979.8 Ų79.819%0.19237%0.367CS..  trans-106.5143.5174.8-63.9-77.8000111.6K115 R116 W122 S125 K127 R128 A129 K177K115-Y119 WeakPolarHBondContact O-CD2 3.33Å; R116-Y119 PolarHBondContact O-N 2.73Å; R116-Y119 VanDerWaalsContact O-O 3.06Å; Y119-W122 AromaticContact CD2-CE3 3.4Å; Y119-W122 HydrophobicContact CD2-CE3 3.4Å; Y119-W122 VanDerWaalsContact CD2-CE3 3.4Å; Y119-W122 AromaticContact CD2-CZ3 3.5Å; Y119-W122 HydrophobicContact CD2-CZ3 3.5Å; Y119-W122 HydrophobicContact CE2-CE3 4.02Å; Y119-W122 AromaticContact CE2-CZ3 3.68Å; Y119-W122 HydrophobicContact CE2-CZ3 3.68Å; Y119-W122 HydrophobicContact CG-CE3 4.09Å; Y119-S125 VanDerWaalsContact CD1-CB 3.44Å; Y119-K127 VanDerWaalsContact OH-C 3.29Å; Y119-R128 PolarHBondContact OH-N 3.32Å; Y119-A129 HydrophobicContact CE2-CB 3.52Å; Y119-A129 WeakPolarHBondContact OH-CB 3.5Å; Y119-A129 PolarHBondContact OH-N 2.61Å; Y119-K177 PolarHBondContact O-NZ 2.56Å
120K94.9Very high95.4Very high216 Ų21675.6 Ų75.694%0.93935%0.347SS*.SBendtrans-81.3-52.8166.8-69.6-68.9-172.7164.40109.8
121D95.3Very high95.3Very high74 Ų7479 Ų7940%0.39637%0.366SS..SBendtrans-106.7113.2167.9-168.5-24.1000108.8C123 K124 S125D121-C123 PolarHBondContact OD1-N 3.32Å; D121-K124 PolarHBondContact OD1-N 3.45Å; D121-K124 WeakPolarHBondContact OD2-CD 3.45Å; D121-K124 WeakPolarHBondContact OD2-CE 3.4Å; D121-K124 VanDerWaalsContact OD2-CG 3.25Å; D121-K124 WeakPolarHBondContact OD2-CG 3.17Å; D121-S125 WeakPolarHBondContact O-CB 3.35Å
122W95.4Very high95.2Very high22 Ų2284.7 Ų84.78%0.08339%0.385CS..SBendtrans-80.1-39179171.8-92.7000112E112 K115 R116 Y119 S125 K127E112-W122 HydrophobicContact CG-CH2 3.67Å; E112-W122 HydrophobicContact CG-CZ2 3.15Å; E112-W122 PolarHBondContact OE1-NE1 2.9Å; K115-W122 HydrophobicContact CB-CH2 3.82Å; K115-W122 HydrophobicContact CB-CZ3 3.65Å; R116-W122 HydrophobicContact CB-CD2 4.48Å; R116-W122 HydrophobicContact CB-CE3 4.15Å; R116-W122 HydrophobicContact CG-CB 4.09Å; R116-W122 HydrophobicContact CG-CD2 3.37Å; R116-W122 HydrophobicContact CG-CE3 3.45Å; R116-W122 VanDerWaalsContact CG-CE3 3.45Å; R116-W122 HydrophobicContact CG-CG 3.67Å; R116-W122 HydrophobicContact CG-CZ3 4.07Å; R116-W122 VanDerWaalsContact NH2-NE1 3.2Å; Y119-W122 AromaticContact CD2-CE3 3.4Å; Y119-W122 HydrophobicContact CD2-CE3 3.4Å; Y119-W122 VanDerWaalsContact CD2-CE3 3.4Å; Y119-W122 AromaticContact CD2-CZ3 3.5Å; Y119-W122 HydrophobicContact CD2-CZ3 3.5Å; Y119-W122 HydrophobicContact CE2-CE3 4.02Å; Y119-W122 AromaticContact CE2-CZ3 3.68Å; Y119-W122 HydrophobicContact CE2-CZ3 3.68Å; Y119-W122 HydrophobicContact CG-CE3 4.09Å; W122-S125 PolarHBondContact O-N 3.24Å; W122-S125 PolarHBondContact O-OG 3.11Å; W122-K127 HydrophobicContact CD2-CG 4.26Å; W122-K127 HydrophobicContact CE3-CG 4.42Å; W122-K127 HydrophobicContact CH2-CB 3.96Å; W122-K127 HydrophobicContact CH2-CD 4.35Å; W122-K127 HydrophobicContact CH2-CG 3.86Å; W122-K127 HydrophobicContact CZ2-CB 4.15Å; W122-K127 HydrophobicContact CZ2-CD 3.67Å; W122-K127 HydrophobicContact CZ2-CG 3.62Å; W122-K127 HydrophobicContact CZ3-CB 4.41Å; W122-K127 HydrophobicContact CZ3-CG 4.25Å
123C93.9Very high95.1Very high99 Ų9982.8 Ų82.867%0.66938%0.38SS*.THydrogen-bonded Turntrans-72.2-36.6-168.9-63.20000111D121 S125D121-C123 PolarHBondContact OD1-N 3.32Å; C123-S125 VanDerWaalsContact C-N 3.32Å
124K96Very high95Very high186 Ų18683.5 Ų83.581%0.80939%0.385SS*.THydrogen-bonded Turntrans-80.6-9.8175.1-61-172-172.3-171.80114.3D121D121-K124 PolarHBondContact OD1-N 3.45Å; D121-K124 WeakPolarHBondContact OD2-CD 3.45Å; D121-K124 WeakPolarHBondContact OD2-CE 3.4Å; D121-K124 VanDerWaalsContact OD2-CG 3.25Å; D121-K124 WeakPolarHBondContact OD2-CG 3.17Å
125S95.5Very high94.9Very high24 Ų2489.4 Ų89.417%0.16841%0.411CS..SBendtrans-82151.6-176.476.90000111.7Y119 D121 W122 C123 K127Y119-S125 VanDerWaalsContact CD1-CB 3.44Å; D121-S125 WeakPolarHBondContact O-CB 3.35Å; W122-S125 PolarHBondContact O-N 3.24Å; W122-S125 PolarHBondContact O-OG 3.11Å; C123-S125 VanDerWaalsContact C-N 3.32Å; S125-K127 PolarHBondContact O-N 2.64Å; S125-K127 VanDerWaalsContact O-N 3.14Å; S125-K127 PolarHBondContact OG-N 2.88Å
126K96.2Very high94.8Very high193 Ų19391.4 Ų91.484%0.83942%0.42SS*.  trans-71.23.5168.5-60.1-174.1-179.9-175.10113.6R128K126-R128 HydrophobicContact CB-CG 3.98Å; K126-R128 WeakPolarHBondContact O-CG 3.44Å; K126-R128 PolarHBondContact O-N 2.82Å
127K95.3Very high94.7Very high109 Ų10990.6 Ų90.647%0.47442%0.417SS..  trans53.127.1175.4-55.5162.6-167.9165.30116Y119 W122 S125 A129Y119-K127 VanDerWaalsContact OH-C 3.29Å; W122-K127 HydrophobicContact CD2-CG 4.26Å; W122-K127 HydrophobicContact CE3-CG 4.42Å; W122-K127 HydrophobicContact CH2-CB 3.96Å; W122-K127 HydrophobicContact CH2-CD 4.35Å; W122-K127 HydrophobicContact CH2-CG 3.86Å; W122-K127 HydrophobicContact CZ2-CB 4.15Å; W122-K127 HydrophobicContact CZ2-CD 3.67Å; W122-K127 HydrophobicContact CZ2-CG 3.62Å; W122-K127 HydrophobicContact CZ3-CB 4.41Å; W122-K127 HydrophobicContact CZ3-CG 4.25Å; S125-K127 PolarHBondContact O-N 2.64Å; S125-K127 VanDerWaalsContact O-N 3.14Å; S125-K127 PolarHBondContact OG-N 2.88Å; K127-A129 VanDerWaalsContact C-N 3.28Å; K127-A129 PolarHBondContact O-N 2.79Å
128R95.3Very high94.6Very high169 Ų16994.2 Ų94.264%0.63844%0.44SS*.  trans-73.83.9-176.6-55.9-17374.8-1786.5116.8Y119 K126 F130 L131Y119-R128 PolarHBondContact OH-N 3.32Å; K126-R128 HydrophobicContact CB-CG 3.98Å; K126-R128 WeakPolarHBondContact O-CG 3.44Å; K126-R128 PolarHBondContact O-N 2.82Å; R128-F130 PolarHBondContact O-N 2.75Å; R128-L131 WeakPolarHBondContact O-CB 3.19Å; R128-L131 PolarHBondContact O-N 3.14Å
129A94Very high94.5Very high17 Ų1792.2 Ų92.214%0.1444%0.438CS..THydrogen-bonded Turntrans-62.9132-177.600000110.9F118 Y119 K127 L131F118-A129 HydrophobicContact CB-CB 4.39Å; Y119-A129 HydrophobicContact CE2-CB 3.52Å; Y119-A129 WeakPolarHBondContact OH-CB 3.5Å; Y119-A129 PolarHBondContact OH-N 2.61Å; K127-A129 VanDerWaalsContact C-N 3.28Å; K127-A129 PolarHBondContact O-N 2.79Å; A129-L131 PolarHBondContact O-N 2.94Å
130F95.4Very high94.4Very high31 Ų3197.9 Ų97.914%0.13647%0.466CS..THydrogen-bonded Turntrans653.2-177.3-59.5-88000116.9W106 L110 F114 K115 F118 R128 K132 S133 S134W106-F130 AromaticContact CD1-CE1 3.95Å; W106-F130 HydrophobicContact CD2-CD1 4.4Å; W106-F130 AromaticContact CD2-CE1 3.6Å; W106-F130 HydrophobicContact CD2-CE1 3.6Å; W106-F130 HydrophobicContact CD2-CZ 4.38Å; W106-F130 AromaticContact CE2-CE1 3.58Å; W106-F130 HydrophobicContact CE3-CE1 4.09Å; W106-F130 HydrophobicContact CG-CD1 4.24Å; W106-F130 AromaticContact CG-CE1 3.86Å; W106-F130 HydrophobicContact CG-CE1 3.86Å; W106-F130 HydrophobicContact CH2-CE1 4.46Å; W106-F130 HydrophobicContact CH2-CZ 4.35Å; W106-F130 HydrophobicContact CZ2-CE1 4.03Å; W106-F130 HydrophobicContact CZ2-CZ 4.19Å; W106-F130 AromaticContact NE1-CE1 3.8Å; L110-F130 HydrophobicContact CD1-CB 3.54Å; L110-F130 HydrophobicContact CD1-CD1 3.35Å; L110-F130 HydrophobicContact CD1-CD2 3.85Å; L110-F130 HydrophobicContact CD1-CE1 3.98Å; L110-F130 HydrophobicContact CD1-CE2 4.42Å; L110-F130 HydrophobicContact CD1-CG 3.27Å; L110-F130 HydrophobicContact CD1-CZ 4.48Å; F114-F130 HydrophobicContact CD1-CE2 4.31Å; F114-F130 HydrophobicContact CE1-CD2 4.14Å; F114-F130 HydrophobicContact CE1-CE1 4.36Å; F114-F130 AromaticContact CE1-CE2 3.5Å; F114-F130 HydrophobicContact CE1-CE2 3.5Å; F114-F130 AromaticContact CE1-CZ 3.63Å; F114-F130 HydrophobicContact CE1-CZ 3.63Å; F114-F130 HydrophobicContact CZ-CE2 4.26Å; F114-F130 HydrophobicContact CZ-CZ 4.01Å; K115-F130 HydrophobicContact CG-CD2 4.33Å; F118-F130 HydrophobicContact CD1-CE2 4.35Å; F118-F130 AromaticContact CD2-CE2 3.61Å; F118-F130 HydrophobicContact CD2-CE2 3.61Å; F118-F130 HydrophobicContact CD2-CZ 4.32Å; F118-F130 HydrophobicContact CE1-CE2 4.1Å; F118-F130 AromaticContact CE1-CZ 3.91Å; F118-F130 HydrophobicContact CE1-CZ 3.91Å; F118-F130 AromaticContact CE2-CE2 3.35Å; F118-F130 HydrophobicContact CE2-CE2 3.35Å; F118-F130 AromaticContact CE2-CZ 3.67Å; F118-F130 HydrophobicContact CE2-CZ 3.67Å; F118-F130 HydrophobicContact CG-CE2 4.13Å; F118-F130 AromaticContact CZ-CE2 3.6Å; F118-F130 HydrophobicContact CZ-CE2 3.6Å; F118-F130 AromaticContact CZ-CZ 3.43Å; F118-F130 HydrophobicContact CZ-CZ 3.43Å; F118-F130 VanDerWaalsContact CZ-CZ 3.43Å; R128-F130 PolarHBondContact O-N 2.75Å; F130-K132 VanDerWaalsContact C-N 3.33Å; F130-K132 PolarHBondContact O-N 2.89Å; F130-S133 WeakPolarHBondContact O-CA 3.17Å; F130-S133 WeakPolarHBondContact O-CB 3.39Å; F130-S133 PolarHBondContact O-N 2.86Å; F130-S134 PolarHBondContact O-N 2.87Å; F130-S134 PolarHBondContact O-OG 2.92Å
131L93Very high94.4Very high82 Ų8291.3 Ų91.343%0.42945%0.452SS..Hα-helixtrans-53.5-49179.8-175.667.2000112.3R128 A129 S133 K135R128-L131 WeakPolarHBondContact O-CB 3.19Å; R128-L131 PolarHBondContact O-N 3.14Å; A129-L131 PolarHBondContact O-N 2.94Å; L131-S133 VanDerWaalsContact C-N 3.31Å; L131-S133 PolarHBondContact O-N 3.09Å; L131-K135 WeakPolarHBondContact O-CG 3.49Å; L131-K135 PolarHBondContact O-N 3.43Å
132K92.3Very high94.4Very high175 Ų17588.1 Ų88.176%0.76144%0.437SS*.Hα-helixtrans-68.6-28.7176.5-62.1-170.8177.9-173.30113.1F130F130-K132 VanDerWaalsContact C-N 3.33Å; F130-K132 PolarHBondContact O-N 2.89Å
133S92.2Very high94.4Very high28 Ų2890 Ų9020%0.19645%0.448CS..Hα-helixtrans-75.4-44-179.3-167.30000111.3F130 L131 K135 K136F130-S133 WeakPolarHBondContact O-CA 3.17Å; F130-S133 WeakPolarHBondContact O-CB 3.39Å; F130-S133 PolarHBondContact O-N 2.86Å; L131-S133 VanDerWaalsContact C-N 3.31Å; L131-S133 PolarHBondContact O-N 3.09Å; S133-K135 VanDerWaalsContact C-N 3.35Å; S133-K136 WeakPolarHBondContact O-CB 3.2Å; S133-K136 PolarHBondContact O-N 2.83Å
134S92.7Very high94.6Very high24 Ų2487.4 Ų87.417%0.16843%0.434CS..Hα-helixtrans-64.1-40.4175.7-63.30000110.9E108 F130 K136 W137E108-S134 WeakPolarHBondContact O-CB 3.23Å; E108-S134 PolarHBondContact O-OG 2.71Å; F130-S134 PolarHBondContact O-N 2.87Å; F130-S134 PolarHBondContact O-OG 2.92Å; S134-K136 PolarHBondContact O-N 2.9Å; S134-K136 VanDerWaalsContact O-N 3.08Å; S134-W137 WeakPolarHBondContact O-CB 3.45Å; S134-W137 PolarHBondContact O-N 3.11Å
135K93.6Very high94.6Very high125 Ų12580.9 Ų80.954%0.54341%0.406SS..G310 helixtrans-58.4-22.3175.5-76.2-174.1177.9-158.70114.6L131 S133 W137 L138 C139L131-K135 WeakPolarHBondContact O-CG 3.49Å; L131-K135 PolarHBondContact O-N 3.43Å; S133-K135 VanDerWaalsContact C-N 3.35Å; K135-W137 PolarHBondContact O-N 2.97Å; K135-L138 PolarHBondContact O-N 2.91Å; K135-C139 PolarHBondContact O-N 3.1Å
136K94.2Very high94.6Very high93 Ų9380.4 Ų80.440%0.40440%0.402SS..G310 helixtrans-66.8-21.7176-69.2-178.8177.5-173.20113.4S133 S134 L138 G142 L143 I146S133-K136 WeakPolarHBondContact O-CB 3.2Å; S133-K136 PolarHBondContact O-N 2.83Å; S134-K136 PolarHBondContact O-N 2.9Å; S134-K136 VanDerWaalsContact O-N 3.08Å; K136-L138 VanDerWaalsContact C-N 3.31Å; K136-G142 CarbonylContact O-C 3.53Å; K136-G142 WeakPolarHBondContact O-CA 3.45Å; K136-L143 PolarHBondContact O-N 3.06Å; K136-L143 VanDerWaalsContact O-N 3.12Å; K136-I146 HydrophobicContact CB-CD1 4.09Å
137W94.5Very high94.6Very high25 Ų2578.4 Ų78.410%0.09539%0.393CS..G310 helixtrans-77.7-22.4176.5-67.996.7000112.2W106 A107 E108 S134 K135 L143 I146 F201W106-W137 WeakPolarHBondContact O-CZ2 3.37Å; W106-W137 PolarHBondContact O-NE1 2.91Å; W106-W137 VanDerWaalsContact O-NE1 3.1Å; A107-W137 PolarHBondContact O-NE1 3.5Å; E108-W137 VanDerWaalsContact CA-CD1 3.43Å; E108-W137 HydrophobicContact CB-CB 4.02Å; E108-W137 HydrophobicContact CB-CD2 4.06Å; E108-W137 HydrophobicContact CB-CG 3.64Å; E108-W137 HydrophobicContact CG-CB 3.7Å; E108-W137 HydrophobicContact CG-CG 3.88Å; S134-W137 WeakPolarHBondContact O-CB 3.45Å; S134-W137 PolarHBondContact O-N 3.11Å; K135-W137 PolarHBondContact O-N 2.97Å; W137-L143 HydrophobicContact CE3-CD2 3.79Å; W137-L143 HydrophobicContact CZ3-CD2 4.36Å; W137-L143 WeakPolarHBondContact O-CD2 3.45Å; W137-I146 HydrophobicContact CD2-CD1 3.65Å; W137-I146 HydrophobicContact CE3-CD1 3.95Å; W137-I146 HydrophobicContact CG-CD1 4.08Å; W137-I146 HydrophobicContact CH2-CD1 4.24Å; W137-I146 HydrophobicContact CH2-CG2 3.84Å; W137-I146 HydrophobicContact CZ2-CD1 3.96Å; W137-I146 HydrophobicContact CZ2-CG2 4.22Å; W137-I146 HydrophobicContact CZ3-CD1 4.22Å; W137-I146 HydrophobicContact CZ3-CG2 4.26Å; W137-F201 HydrophobicContact CZ2-CE2 4.38Å
138L94Very high94.7Very high134 Ų13479.8 Ų79.870%0.70240%0.395SS*.THydrogen-bonded Turntrans-88.3-27.6-178.8-57.9174.8000113.2K135 K136K135-L138 PolarHBondContact O-N 2.91Å; K136-L138 VanDerWaalsContact C-N 3.31Å
139C93.4Very high94.8Very high62 Ų6272.8 Ų72.842%0.41937%0.37SS..SBendtrans-101.2142.3-179.466.50000112.5K135 A141 G142 L143K135-C139 PolarHBondContact O-N 3.1Å; C139-A141 PolarHBondContact O-N 3.34Å; C139-G142 WeakPolarHBondContact O-CA 3.23Å; C139-G142 PolarHBondContact O-N 2.82Å; C139-G142 PolarHBondContact SG-N 3.34Å; C139-L143 PolarHBondContact O-N 3.13Å
140E95.2Very high94.9Very high167 Ų16773.2 Ų73.278%0.7837%0.37SS*.Hα-helixtrans-59.3-46.5-177.7-171.4-177.2178.400112.7G142 L143 A144E140-G142 PolarHBondContact O-N 3.4Å; E140-L143 PolarHBondContact O-N 2.9Å; E140-L143 VanDerWaalsContact O-N 3.14Å; E140-A144 WeakPolarHBondContact O-CB 3.4Å; E140-A144 PolarHBondContact O-N 2.79Å
141A95.3Very high95Very high79 Ų7979.4 Ų79.465%0.65340%0.397SS*.Hα-helixtrans-57.8-34.3175.600000112.4C139 Q145C139-A141 PolarHBondContact O-N 3.34Å; A141-Q145 WeakPolarHBondContact O-CB 3.37Å; A141-Q145 PolarHBondContact O-N 3.37Å
142G95.2Very high95.2Very high6 Ų679.9 Ų79.96%0.06240%0.396CS..Hα-helixtrans-71.1-43.7176.100000112.7K136 C139 E140 Q145 I146K136-G142 CarbonylContact O-C 3.53Å; K136-G142 WeakPolarHBondContact O-CA 3.45Å; C139-G142 WeakPolarHBondContact O-CA 3.23Å; C139-G142 PolarHBondContact O-N 2.82Å; C139-G142 PolarHBondContact SG-N 3.34Å; E140-G142 PolarHBondContact O-N 3.4Å; G142-Q145 WeakPolarHBondContact O-CB 3.43Å; G142-Q145 PolarHBondContact O-N 2.75Å; G142-I146 WeakPolarHBondContact O-CG1 3.14Å; G142-I146 PolarHBondContact O-N 2.72Å
143L95.7Very high95.5Very high62 Ų6271.6 Ų71.633%0.32536%0.359SS..Hα-helixtrans-62.1-42.9173.8-69.9171.4000111.3K136 W137 C139 E140 Q145 I146 K147K136-L143 PolarHBondContact O-N 3.06Å; K136-L143 VanDerWaalsContact O-N 3.12Å; W137-L143 HydrophobicContact CE3-CD2 3.79Å; W137-L143 HydrophobicContact CZ3-CD2 4.36Å; W137-L143 WeakPolarHBondContact O-CD2 3.45Å; C139-L143 PolarHBondContact O-N 3.13Å; E140-L143 PolarHBondContact O-N 2.9Å; E140-L143 VanDerWaalsContact O-N 3.14Å; L143-Q145 VanDerWaalsContact C-N 3.32Å; L143-Q145 PolarHBondContact O-N 2.85Å; L143-I146 PolarHBondContact O-N 2.96Å; L143-K147 WeakPolarHBondContact O-CG 3.37Å; L143-K147 PolarHBondContact O-N 3.21Å
144A96.7Very high95.8Very high44 Ų4473.7 Ų73.736%0.36437%0.365SS..Hα-helixtrans-60.4-41.1174.200000111.7E140 R148E140-A144 WeakPolarHBondContact O-CB 3.4Å; E140-A144 PolarHBondContact O-N 2.79Å; A144-R148 WeakPolarHBondContact O-CB 3.4Å; A144-R148 VanDerWaalsContact O-CG 3.32Å; A144-R148 WeakPolarHBondContact O-CG 3.34Å; A144-R148 PolarHBondContact O-N 2.91Å
145Q96.1Very high96Very high50 Ų5079.6 Ų79.623%0.23439%0.388CS..Hα-helixtrans-62.9-43.6173.6-179.260.745.800112.2A141 G142 L143 R148 D149A141-Q145 WeakPolarHBondContact O-CB 3.37Å; A141-Q145 PolarHBondContact O-N 3.37Å; G142-Q145 WeakPolarHBondContact O-CB 3.43Å; G142-Q145 PolarHBondContact O-N 2.75Å; L143-Q145 VanDerWaalsContact C-N 3.32Å; L143-Q145 PolarHBondContact O-N 2.85Å; Q145-R148 PolarHBondContact O-N 2.89Å; Q145-R148 VanDerWaalsContact OE1-CZ 3.24Å; Q145-D149 VanDerWaalsContact NE2-CG 3.26Å; Q145-D149 PolarHBondContact NE2-OD1 3.06Å; Q145-D149 PolarHBondContact NE2-OD2 3.02Å; Q145-D149 WeakPolarHBondContact O-CB 3.11Å; Q145-D149 VanDerWaalsContact O-CG 3.26Å; Q145-D149 PolarHBondContact O-N 2.84Å
146I96Very high96.2Very high14 Ų1479.2 Ų79.27%0.07238%0.384CS..Hα-helixtrans-63.8-46.4178-68.3161.4000110.7V105 K136 W137 G142 L143 R148 D149 L150V105-I146 HydrophobicContact CG1-CG2 4Å; K136-I146 HydrophobicContact CB-CD1 4.09Å; W137-I146 HydrophobicContact CD2-CD1 3.65Å; W137-I146 HydrophobicContact CE3-CD1 3.95Å; W137-I146 HydrophobicContact CG-CD1 4.08Å; W137-I146 HydrophobicContact CH2-CD1 4.24Å; W137-I146 HydrophobicContact CH2-CG2 3.84Å; W137-I146 HydrophobicContact CZ2-CD1 3.96Å; W137-I146 HydrophobicContact CZ2-CG2 4.22Å; W137-I146 HydrophobicContact CZ3-CD1 4.22Å; W137-I146 HydrophobicContact CZ3-CG2 4.26Å; G142-I146 WeakPolarHBondContact O-CG1 3.14Å; G142-I146 PolarHBondContact O-N 2.72Å; L143-I146 PolarHBondContact O-N 2.96Å; I146-R148 VanDerWaalsContact C-N 3.34Å; I146-R148 PolarHBondContact O-N 3.03Å; I146-D149 PolarHBondContact O-N 2.85Å; I146-D149 VanDerWaalsContact O-N 3.16Å; I146-L150 HydrophobicContact CG2-CD1 4.08Å; I146-L150 HydrophobicContact CG2-CG 4.43Å; I146-L150 WeakPolarHBondContact O-CG 3.46Å; I146-L150 PolarHBondContact O-N 2.88Å
147K96.4Very high96.3Very high151 Ų15175.1 Ų75.166%0.65737%0.366SS*.Hα-helixtrans-58.1-45.1175.4-72.1177.1-177.5178.50111.2L143 D149 L150 K151L143-K147 WeakPolarHBondContact O-CG 3.37Å; L143-K147 PolarHBondContact O-N 3.21Å; K147-D149 PolarHBondContact O-N 3.41Å; K147-L150 PolarHBondContact O-N 3.44Å; K147-K151 PolarHBondContact O-N 3.41Å
148R96.9Very high96.4Very high138 Ų13877.2 Ų77.252%0.52138%0.382SS..Hα-helixtrans-59.9-43.5174.2-77.6-173.3-68.3160.1-6.3112.2A144 Q145 I146 K151 K152A144-R148 WeakPolarHBondContact O-CB 3.4Å; A144-R148 VanDerWaalsContact O-CG 3.32Å; A144-R148 WeakPolarHBondContact O-CG 3.34Å; A144-R148 PolarHBondContact O-N 2.91Å; Q145-R148 PolarHBondContact O-N 2.89Å; Q145-R148 VanDerWaalsContact OE1-CZ 3.24Å; I146-R148 VanDerWaalsContact C-N 3.34Å; I146-R148 PolarHBondContact O-N 3.03Å; R148-K151 PolarHBondContact O-N 3.06Å; R148-K152 WeakPolarHBondContact O-CG 3.26Å; R148-K152 PolarHBondContact O-N 2.8Å
149D97.1Very high96.6Very high21 Ų2172 Ų7211%0.11236%0.356CS..Hα-helixtrans-66.7-41.2179.9-73.6-21.9000112.2K103 V105 Q145 I146 K147 K152 I153K103-D149 HydrophobicContact CD-CB 3.99Å; K103-D149 VanDerWaalsContact CD-OD1 3.29Å; K103-D149 WeakPolarHBondContact CD-OD1 3.13Å; K103-D149 WeakPolarHBondContact CE-OD1 3.44Å; K103-D149 IonicContact NZ-OD1 3.44Å; K103-D149 PolarHBondContact NZ-OD1 3.22Å; K103-D149 IonicContact NZ-OD2 2.67Å; V105-D149 HydrophobicContact CG2-CB 4.1Å; Q145-D149 VanDerWaalsContact NE2-CG 3.26Å; Q145-D149 PolarHBondContact NE2-OD1 3.06Å; Q145-D149 PolarHBondContact NE2-OD2 3.02Å; Q145-D149 WeakPolarHBondContact O-CB 3.11Å; Q145-D149 VanDerWaalsContact O-CG 3.26Å; Q145-D149 PolarHBondContact O-N 2.84Å; I146-D149 PolarHBondContact O-N 2.85Å; I146-D149 VanDerWaalsContact O-N 3.16Å; K147-D149 PolarHBondContact O-N 3.41Å; D149-K152 PolarHBondContact O-N 3.37Å; D149-I153 WeakPolarHBondContact O-CG1 3.22Å; D149-I153 PolarHBondContact O-N 3.27Å
150L97.2Very high96.8Very high26 Ų2669 Ų6914%0.13634%0.336CS..Hα-helixtrans-61.2-45.3172.9-69.9171.3000111.5M89 V105 I146 K147 K152 I153 K154 V194M89-L150 HydrophobicContact CE-CD2 3.75Å; M89-L150 HydrophobicContact SD-CD2 3.69Å; V105-L150 HydrophobicContact CB-CD2 4.45Å; V105-L150 HydrophobicContact CG1-CD2 4.34Å; V105-L150 HydrophobicContact CG2-CD2 4.12Å; V105-L150 HydrophobicContact CG2-CG 4.45Å; I146-L150 HydrophobicContact CG2-CD1 4.08Å; I146-L150 HydrophobicContact CG2-CG 4.43Å; I146-L150 WeakPolarHBondContact O-CG 3.46Å; I146-L150 PolarHBondContact O-N 2.88Å; K147-L150 PolarHBondContact O-N 3.44Å; L150-K152 VanDerWaalsContact C-N 3.32Å; L150-K152 PolarHBondContact O-N 3.36Å; L150-I153 PolarHBondContact O-N 3.29Å; L150-K154 WeakPolarHBondContact O-CG 3.46Å; L150-K154 PolarHBondContact O-N 3.22Å; L150-V194 HydrophobicContact CD2-CG1 3.83Å
151K97.6Very high97Very high161 Ų16163 Ų6370%0.731%0.306SS*.Hα-helixtrans-58.6-43.4175.4-172.7175.4-177.7175.40111.5K147 R148 K154 K155K147-K151 PolarHBondContact O-N 3.41Å; R148-K151 PolarHBondContact O-N 3.06Å; K151-K154 PolarHBondContact O-N 3.5Å; K151-K155 WeakPolarHBondContact O-CB 3.31Å; K151-K155 PolarHBondContact O-N 3.07Å
152K97.7Very high97.1Very high93 Ų9359.3 Ų59.340%0.40428%0.275SS..Hα-helixtrans-65.8-38.2176.5-69.7-179.6171.6-176.30112.1F102 K103 R148 D149 L150 K155 Y156F102-K152 HydrophobicContact CE1-CB 3.74Å; F102-K152 HydrophobicContact CZ-CB 4.18Å; K103-K152 HydrophobicContact CD-CB 4.29Å; K103-K152 HydrophobicContact CD-CD 4.37Å; R148-K152 WeakPolarHBondContact O-CG 3.26Å; R148-K152 PolarHBondContact O-N 2.8Å; D149-K152 PolarHBondContact O-N 3.37Å; L150-K152 VanDerWaalsContact C-N 3.32Å; L150-K152 PolarHBondContact O-N 3.36Å; K152-K155 PolarHBondContact O-N 2.61Å; K152-Y156 HydrophobicContact CB-CD2 4.12Å; K152-Y156 HydrophobicContact CB-CE2 4.39Å; K152-Y156 HydrophobicContact CG-CD2 4.5Å; K152-Y156 HydrophobicContact CG-CE2 4.27Å; K152-Y156 VanDerWaalsContact O-CD2 3.28Å; K152-Y156 WeakPolarHBondContact O-CD2 3.35Å; K152-Y156 PolarHBondContact O-N 3.02Å
153I97.9Very high97.2Very high0 Ų059.4 Ų59.40%027%0.274CS..Hα-helixtrans-62.1-48.3174.4-68.7168.3000110.2M89 K103 V105 D149 L150 K155 C157 V160 V194M89-I153 HydrophobicContact CG-CD1 4.5Å; M89-I153 HydrophobicContact SD-CD1 4.45Å; K103-I153 HydrophobicContact CB-CD1 4.09Å; K103-I153 HydrophobicContact CB-CG1 3.96Å; V105-I153 HydrophobicContact CG2-CD1 3.85Å; D149-I153 WeakPolarHBondContact O-CG1 3.22Å; D149-I153 PolarHBondContact O-N 3.27Å; L150-I153 PolarHBondContact O-N 3.29Å; I153-K155 VanDerWaalsContact C-N 3.28Å; I153-K155 PolarHBondContact O-N 2.97Å; I153-C157 HydrophobicContact CG2-CB 4.22Å; I153-C157 WeakPolarHBondContact O-CB 2.87Å; I153-C157 PolarHBondContact O-N 3.24Å; I153-C157 VanDerWaalsContact O-N 3.09Å; I153-V160 HydrophobicContact CG2-CG2 4.3Å; I153-V194 HydrophobicContact CG2-CG2 3.66Å
154K97.7Very high97.3Very high72 Ų7256.5 Ų56.531%0.31326%0.259SS..Hα-helixtrans-58.2-38.9178.1-68.8-177.2175.4-165.60112.8L150 K151 S191 V194 D195L150-K154 WeakPolarHBondContact O-CG 3.46Å; L150-K154 PolarHBondContact O-N 3.22Å; K151-K154 PolarHBondContact O-N 3.5Å; K154-S191 WeakPolarHBondContact CD-OG 3.5Å; K154-S191 VanDerWaalsContact CE-OG 3.3Å; K154-S191 WeakPolarHBondContact CE-OG 3.49Å; K154-S191 PolarHBondContact NZ-OG 3.41Å; K154-V194 HydrophobicContact CD-CG1 4.46Å; K154-V194 HydrophobicContact CG-CB 3.98Å; K154-V194 HydrophobicContact CG-CG1 4.02Å; K154-V194 HydrophobicContact CG-CG2 3.94Å; K154-D195 WeakPolarHBondContact CE-OD1 3.43Å; K154-D195 IonicContact NZ-OD1 3.88Å; K154-D195 PolarHBondContact NZ-OD1 3.45Å; K154-D195 IonicContact NZ-OD2 3.12Å; K154-D195 PolarHBondContact NZ-OD2 2.7Å
155K97.6Very high97.4Very high149 Ų14954.4 Ų54.465%0.64824%0.242SC*.Hα-helixtrans-77.5-46.5-177.5-174.5173.2-179177.50114K151 K152 I153K151-K155 WeakPolarHBondContact O-CB 3.31Å; K151-K155 PolarHBondContact O-N 3.07Å; K152-K155 PolarHBondContact O-N 2.61Å; I153-K155 VanDerWaalsContact C-N 3.28Å; I153-K155 PolarHBondContact O-N 2.97Å
156Y97.1Very high97.4Very high117 Ų11752 Ų5246%0.45923%0.231SC..Hα-helixtrans-105.1-15.6-166.4-61.5-69.5000114.9F102 K152F102-Y156 HydrophobicContact CE1-CD2 4.11Å; F102-Y156 HydrophobicContact CE2-CD2 4.41Å; F102-Y156 HydrophobicContact CE2-CG 4.47Å; F102-Y156 AromaticContact CZ-CD2 3.59Å; F102-Y156 HydrophobicContact CZ-CD2 3.59Å; F102-Y156 HydrophobicContact CZ-CE2 4.46Å; F102-Y156 HydrophobicContact CZ-CG 4.02Å; K152-Y156 HydrophobicContact CB-CD2 4.12Å; K152-Y156 HydrophobicContact CB-CE2 4.39Å; K152-Y156 HydrophobicContact CG-CD2 4.5Å; K152-Y156 HydrophobicContact CG-CE2 4.27Å; K152-Y156 VanDerWaalsContact O-CD2 3.28Å; K152-Y156 WeakPolarHBondContact O-CD2 3.35Å; K152-Y156 PolarHBondContact O-N 3.02Å
157C97.4Very high97.4Very high6 Ų652.4 Ų52.44%0.04123%0.232CC..  trans-94.3143.1-175.3-60.20000111.7G91 Y92 F102 I153 V190G91-C157 VanDerWaalsContact C-SG 3.53Å; G91-C157 VanDerWaalsContact CA-SG 3.53Å; Y92-C157 CarbonylContact O-C 3.58Å; Y92-C157 VanDerWaalsContact O-CA 3.29Å; Y92-C157 WeakPolarHBondContact O-CA 3.47Å; Y92-C157 WeakPolarHBondContact O-CB 3.25Å; F102-C157 VanDerWaalsContact CD1-SG 3.58Å; I153-C157 HydrophobicContact CG2-CB 4.22Å; I153-C157 WeakPolarHBondContact O-CB 2.87Å; I153-C157 PolarHBondContact O-N 3.24Å; I153-C157 VanDerWaalsContact O-N 3.09Å; C157-V190 WeakPolarHBondContact O-CG1 3.34Å
158T96.1Very high97.3Very high70 Ų7045.3 Ų45.343%0.42920%0.201SC..SBendtrans-99.6-29.5171.851.80000112.1Y92 P94Y92-T158 PolarHBondContact O-N 3.44Å; P94-T158 HydrophobicContact CB-CG2 4.48Å; P94-T158 HydrophobicContact CG-CG2 3.69Å
159V97.7Very high97.1Very high23 Ų2345.4 Ų45.414%0.13920%0.201CC..EExtended strand (participates in β ladder)trans-121.3132-179.5176.30000109.4Y92 L99 R161 Q184Y92-V159 WeakPolarHBondContact CB-O 2.98Å; Y92-V159 PolarHBondContact N-O 3.19Å; Y92-V159 PolarHBondContact O-N 3.04Å; L99-V159 HydrophobicContact CD1-CB 4.42Å; L99-V159 HydrophobicContact CD1-CG2 4Å; L99-V159 HydrophobicContact CD2-CG2 4.4Å; V159-R161 HydrophobicContact CG1-CG 4.22Å; V159-Q184 HydrophobicContact CG1-CG 3.86Å
160V98.1Very high97Very high0 Ų046.7 Ų46.70%021%0.208CC..EExtended strand (participates in β ladder)trans-120.1134.4176-167.50000108.7I153 V185 V190 K193 V194 I197I153-V160 HydrophobicContact CG2-CG2 4.3Å; V160-V185 PolarHBondContact O-N 3.37Å; V160-V185 VanDerWaalsContact O-N 3.14Å; V160-V190 HydrophobicContact CG2-CG1 3.85Å; V160-K193 HydrophobicContact CB-CB 4.43Å; V160-V194 HydrophobicContact CG1-CG2 4.17Å; V160-V194 HydrophobicContact CG2-CG2 4.01Å; V160-I197 HydrophobicContact CB-CD1 4.34Å; V160-I197 HydrophobicContact CG1-CD1 3.48Å; V160-I197 VanDerWaalsContact CG1-CD1 3.48Å
161R98.5Very high96.7Very high42 Ų4245.7 Ų45.716%0.15820%0.203CC..EExtended strand (participates in β ladder)trans-124.6132.3178.4-55.1-162.1176.61461.6110.8M89 V90 Y92 V159 E182 V183 Q184M89-R161 CarbonylContact C-O 3.54Å; M89-R161 VanDerWaalsContact CA-O 3.25Å; M89-R161 WeakPolarHBondContact CA-O 3.2Å; V90-R161 PolarHBondContact N-O 3.44Å; V90-R161 PolarHBondContact O-N 3.2Å; Y92-R161 HydrophobicContact CD2-CG 4.08Å; Y92-R161 HydrophobicContact CE2-CB 4.39Å; Y92-R161 HydrophobicContact CE2-CG 3.86Å; Y92-R161 PolarHBondContact OH-NH1 3.25Å; V159-R161 HydrophobicContact CG1-CG 4.22Å; R161-E182 HydrophobicContact CB-CB 4.11Å; R161-E182 WeakPolarHBondContact CD-OE2 3.38Å; R161-E182 IonicContact NH1-OE2 2.67Å; R161-E182 PolarHBondContact NH1-OE2 2.95Å; R161-V183 CarbonylContact C-O 3.59Å; R161-V183 VanDerWaalsContact CA-O 3.23Å; R161-V183 WeakPolarHBondContact CA-O 3.34Å; R161-V183 WeakPolarHBondContact CB-O 3.4Å; R161-Q184 HydrophobicContact CG-CB 4.19Å; R161-Q184 HydrophobicContact CG-CG 4.38Å
162A98.2Very high96.3Very high0 Ų045.1 Ų45.10%020%0.2CC..EExtended strand (participates in β ladder)trans-74.1133.9167.300000109.4L43 I86 E182 V183 V185 I197L43-A162 HydrophobicContact CD2-CB 4.13Å; I86-A162 HydrophobicContact CD1-CB 3.84Å; I86-A162 HydrophobicContact CG1-CB 4.25Å; I86-A162 HydrophobicContact CG2-CB 4.16Å; A162-E182 CarbonylContact O-C 3.58Å; A162-E182 VanDerWaalsContact O-CA 3.31Å; A162-E182 WeakPolarHBondContact O-CA 3.5Å; A162-V183 PolarHBondContact N-O 2.7Å; A162-V183 PolarHBondContact O-N 2.81Å; A162-V185 HydrophobicContact CB-CG2 4.27Å; A162-I197 HydrophobicContact CB-CD1 4.31Å; A162-I197 HydrophobicContact CB-CG1 4.24Å; A162-I197 HydrophobicContact CB-CG2 4.09Å
163I98.1Very high96Very high9 Ų942.4 Ų42.45%0.04619%0.189CC..EExtended strand (participates in β ladder)trans-88.3113.2166.9-53.7178.5000106.7V87 G88 V90 T104 W106 I180 E182V87-I163 HydrophobicContact CG2-CB 4.37Å; V87-I163 HydrophobicContact CG2-CG2 4Å; V87-I163 VanDerWaalsContact CG2-O 3.29Å; V87-I163 WeakPolarHBondContact CG2-O 3.33Å; V87-I163 PolarHBondContact N-O 2.8Å; G88-I163 PolarHBondContact N-O 2.74Å; G88-I163 PolarHBondContact O-N 2.72Å; V90-I163 HydrophobicContact CG2-CD1 3.52Å; V90-I163 HydrophobicContact CG2-CG1 3.67Å; T104-I163 HydrophobicContact CG2-CD1 3.69Å; W106-I163 HydrophobicContact CE3-CD1 4.16Å; W106-I163 HydrophobicContact CH2-CD1 3.28Å; W106-I163 HydrophobicContact CH2-CG2 4.09Å; W106-I163 HydrophobicContact CZ2-CD1 3.84Å; W106-I163 HydrophobicContact CZ3-CB 4.19Å; W106-I163 HydrophobicContact CZ3-CD1 3.45Å; W106-I163 VanDerWaalsContact CZ3-CD1 3.45Å; W106-I163 HydrophobicContact CZ3-CG1 4.43Å; W106-I163 HydrophobicContact CZ3-CG2 3.81Å; I163-I180 HydrophobicContact CG2-CG2 3.47Å; I163-I180 VanDerWaalsContact CG2-CG2 3.47Å; I163-E182 HydrophobicContact CG1-CG 4.41Å
164A97.8Very high95.9Very high1 Ų154.6 Ų54.61%0.00824%0.235CC..EExtended strand (participates in β ladder)trans-122.4145.9-17900000111M84 V85 I86 I180 M181 V183M84-A164 HydrophobicContact CE-CB 3.33Å; V85-A164 CarbonylContact O-C 3.5Å; V85-A164 WeakPolarHBondContact O-CA 3.31Å; I86-A164 HydrophobicContact CG1-CB 4.26Å; A164-I180 CarbonylContact O-C 3.47Å; A164-I180 WeakPolarHBondContact O-CA 3.49Å; A164-M181 PolarHBondContact N-O 3.41Å; A164-M181 PolarHBondContact O-N 3.17Å; A164-M181 VanDerWaalsContact O-O 3.09Å; A164-V183 HydrophobicContact CB-CG2 4.48Å
165H97.6Very high95.7Very high0 Ų054.7 Ų54.70%024%0.237CC..EExtended strand (participates in β ladder)trans-123.5152172.675.383.8000112.2M84 V85 V87 T111 E113 F114 H179 I180M84-H165 CarbonylContact C-O 3.25Å; M84-H165 VanDerWaalsContact CA-O 3.23Å; M84-H165 WeakPolarHBondContact CA-O 3.37Å; V85-H165 PolarHBondContact N-O 3.25Å; V85-H165 PolarHBondContact O-N 2.81Å; V87-H165 WeakPolarHBondContact CG1-CD2 3.49Å; V87-H165 WeakPolarHBondContact CG1-NE2 3.47Å; T111-H165 PolarHBondContact OG1-CE1 3.45Å; T111-H165 VanDerWaalsContact OG1-CE1 3.24Å; T111-H165 PolarHBondContact OG1-NE2 3.02Å; E113-H165 IonicContact OE1-CE1 3.71Å; E113-H165 PolarHBondContact OE1-CE1 2.82Å; E113-H165 IonicContact OE1-ND1 3.05Å; F114-H165 HydrophobicContact CD2-CB 4.04Å; F114-H165 AromaticContact CD2-CD2 3.57Å; F114-H165 AromaticContact CD2-CG 3.96Å; F114-H165 AromaticContact CG-CD2 3.97Å; H165-H179 VanDerWaalsContact CA-O 3.24Å; H165-H179 WeakPolarHBondContact CA-O 3.45Å; H165-I180 HydrophobicContact CB-CG1 4.14Å
166T97.1Very high95.6Very high0 Ų053.5 Ų53.50%023%0.232CC..EExtended strand (participates in β ladder)trans-76.6155.417140.60000111M47 Y49 M84 S178 H179M47-T166 HydrophobicContact CB-CG2 3.55Å; M47-T166 HydrophobicContact CE-CG2 3.91Å; Y49-T166 HydrophobicContact CE2-CG2 3.89Å; Y49-T166 WeakPolarHBondContact OH-CB 3.24Å; Y49-T166 PolarHBondContact OH-OG1 2.91Å; M84-T166 HydrophobicContact CG-CG2 4.02Å; M84-T166 HydrophobicContact SD-CG2 4.39Å; T166-S178 WeakPolarHBondContact O-CB 3.46Å; T166-H179 PolarHBondContact N-O 2.9Å; T166-H179 WeakPolarHBondContact OG1-CB 3.43Å; T166-H179 PolarHBondContact OG1-N 3.49Å; T166-H179 PolarHBondContact OG1-O 2.88Å
167Q95.4Very high95.5Very high22 Ų2250.4 Ų50.410%0.10322%0.22CC..  trans-97103.1171.8-60.2-173.311.400110.6P83 V85 E113 L170P83-Q167 WeakPolarHBondContact O-CG 3.14Å; V85-Q167 HydrophobicContact CG2-CG 3.97Å; E113-Q167 VanDerWaalsContact OE1-CA 3.32Å; E113-Q167 WeakPolarHBondContact OE1-CA 3.34Å; E113-Q167 WeakPolarHBondContact OE1-CG 3.37Å; E113-Q167 WeakPolarHBondContact OE2-CA 3.48Å; Q167-L170 HydrophobicContact CB-CD1 3.91Å; Q167-L170 HydrophobicContact CB-CG 3.93Å
168M95Very high95.5Very high1 Ų150.1 Ų50.11%0.00522%0.218CC..SBendtrans-78.1-27.7-176.6-74.1-67.8-42.500112.2Y49 E113 L170 M171 H173 Q175 K177Y49-M168 HydrophobicContact CE1-CE 4.34Å; Y49-M168 HydrophobicContact CE1-SD 3.64Å; Y49-M168 HydrophobicContact CE2-SD 4.33Å; Y49-M168 PolarHBondContact OH-SD 3.37Å; E113-M168 PolarHBondContact OE2-N 3.14Å; M168-L170 VanDerWaalsContact C-N 3.26Å; M168-L170 PolarHBondContact O-N 3.24Å; M168-M171 HydrophobicContact CE-CE 3.38Å; M168-M171 HydrophobicContact CG-CE 4.37Å; M168-M171 PolarHBondContact O-N 3.26Å; M168-M171 VanDerWaalsContact O-N 3.13Å; M168-M171 HydrophobicContact SD-CE 3.22Å; M168-M171 WeakPolarHBondContact SD-CE 3.26Å; M168-H173 HydrophobicContact CE-CB 4.18Å; M168-Q175 WeakPolarHBondContact CB-O 3.29Å; M168-Q175 HydrophobicContact CE-CB 3.96Å; M168-Q175 HydrophobicContact CE-CG 4.02Å; M168-Q175 VanDerWaalsContact CE-O 3.31Å; M168-Q175 WeakPolarHBondContact CE-O 3.32Å; M168-K177 WeakPolarHBondContact CG-O 2.96Å
169R93.3Very high95.6Very high140 Ų14047 Ų4753%0.52820%0.199SC..THydrogen-bonded Turntrans-64.7-29.9179.8-69.1-174.3174.7-167.9-1.9113E112 E113 M171E112-R169 IonicContact OE1-NH2 3.76Å; E112-R169 PolarHBondContact OE1-NH2 2.77Å; E112-R169 IonicContact OE2-CZ 3.97Å; E112-R169 IonicContact OE2-NH2 2.61Å; E112-R169 PolarHBondContact OE2-NH2 3.4Å; E113-R169 PolarHBondContact OE2-N 3.19Å; R169-M171 PolarHBondContact O-N 2.81Å
170L93.4Very high95.5Very high48 Ų4847 Ų4725%0.25120%0.198SC..THydrogen-bonded Turntrans-66.6-23.3175.5-62.7-173.2000112.5P82 P83 Q167 M168 N344P82-L170 HydrophobicContact CB-CB 4.44Å; P82-L170 HydrophobicContact CB-CD1 4.32Å; P83-L170 HydrophobicContact CG-CD1 3.87Å; Q167-L170 HydrophobicContact CB-CD1 3.91Å; Q167-L170 HydrophobicContact CB-CG 3.93Å; M168-L170 VanDerWaalsContact C-N 3.26Å; M168-L170 PolarHBondContact O-N 3.24Å; L170-N344 WeakPolarHBondContact CB-OD1 3.42Å; L170-N344 PolarHBondContact O-ND2 3.48Å
171M91.7Very high95.5Very high5 Ų547.7 Ų47.73%0.02520%0.201CC..THydrogen-bonded Turntrans-94.2137.5174.1-58.8-175.3-71.400110.2Y49 P82 M168 R169 H173Y49-M171 HydrophobicContact CD1-CE 3.94Å; Y49-M171 HydrophobicContact CD1-SD 4.23Å; Y49-M171 HydrophobicContact CD2-CE 3.41Å; Y49-M171 VanDerWaalsContact CD2-CE 3.41Å; Y49-M171 HydrophobicContact CD2-SD 3.29Å; Y49-M171 WeakPolarHBondContact CD2-SD 3.33Å; Y49-M171 HydrophobicContact CE1-CE 3.75Å; Y49-M171 HydrophobicContact CE2-CE 3.21Å; Y49-M171 HydrophobicContact CE2-SD 3.77Å; Y49-M171 HydrophobicContact CG-CE 3.78Å; Y49-M171 HydrophobicContact CG-SD 3.57Å; Y49-M171 VanDerWaalsContact CG-SD 3.57Å; P82-M171 HydrophobicContact CG-CE 4.22Å; P82-M171 HydrophobicContact CG-CG 4.21Å; P82-M171 HydrophobicContact CG-SD 4.04Å; M168-M171 HydrophobicContact CE-CE 3.38Å; M168-M171 HydrophobicContact CG-CE 4.37Å; M168-M171 PolarHBondContact O-N 3.26Å; M168-M171 VanDerWaalsContact O-N 3.13Å; M168-M171 HydrophobicContact SD-CE 3.22Å; M168-M171 WeakPolarHBondContact SD-CE 3.26Å; R169-M171 PolarHBondContact O-N 2.81Å; M171-H173 PolarHBondContact O-N 3.28Å
172K89.1Confident95.4Very high150 Ų15049 Ų4965%0.65221%0.209SC*.THydrogen-bonded Turntrans-77.354.2175.4-66.6-177.8176.2174.80111.6
173H91.9Very high95.4Very high35 Ų3549 Ų4916%0.16221%0.209CC..SBendtrans-107.6152.7177.3-68.7-9.1000111.1M168 M171 Q175 Y339M168-H173 HydrophobicContact CE-CB 4.18Å; M171-H173 PolarHBondContact O-N 3.28Å; H173-Q175 PolarHBondContact O-N 2.9Å; H173-Y339 AromaticContact CE1-CD2 3.77Å; H173-Y339 AromaticContact CE1-CE2 3.33Å; H173-Y339 WeakPolarHBondContact CE1-CE2 3.32Å; H173-Y339 AromaticContact CE1-CZ 3.63Å; H173-Y339 AromaticContact NE2-CD2 3.99Å; H173-Y339 AromaticContact NE2-CE2 3.2Å; H173-Y339 WeakPolarHBondContact NE2-CE2 3.22Å; H173-Y339 AromaticContact NE2-CZ 3.62Å
174R94.7Very high95.4Very high256 Ų25649.5 Ų49.597%0.96621%0.212SC*.SBendtrans-57.9-31.9176.5-175.8178178-173.11112.9K176R174-K176 PolarHBondContact O-N 3.42Å
175Q94.6Very high95.4Very high74 Ų7449.5 Ų49.535%0.34621%0.211SC..  trans-77.1118.9-178173.8-179.5-5.900111M168 H173 K177 H179M168-Q175 WeakPolarHBondContact CB-O 3.29Å; M168-Q175 HydrophobicContact CE-CB 3.96Å; M168-Q175 HydrophobicContact CE-CG 4.02Å; M168-Q175 VanDerWaalsContact CE-O 3.31Å; M168-Q175 WeakPolarHBondContact CE-O 3.32Å; H173-Q175 PolarHBondContact O-N 2.9Å; Q175-K177 HydrophobicContact CG-CB 4.27Å; Q175-K177 PolarHBondContact NE2-O 2.94Å; Q175-H179 PolarHBondContact NE2-CE1 3Å; Q175-H179 PolarHBondContact NE2-NE2 2.86Å
176K94.8Very high95.4Very high125 Ų12549.6 Ų49.654%0.54321%0.212SC..  trans-93.8-7.7172.8-58.6-177.6179.7-177.10114.4E113 R174E113-K176 WeakPolarHBondContact CB-O 3.33Å; R174-K176 PolarHBondContact O-N 3.42Å
177K95.8Very high95.4Very high51 Ų5149.6 Ų49.622%0.22221%0.212CC..SBendtrans-88.4113.4-171.6179.7-179.3172.4107.70110.9R116 R117 Y119 M168 Q175R116-K177 HydrophobicContact CB-CB 4.26Å; R116-K177 HydrophobicContact CB-CG 4.16Å; R116-K177 PolarHBondContact O-NZ 3.36Å; R117-K177 VanDerWaalsContact C-NZ 3.32Å; R117-K177 VanDerWaalsContact CD-CE 3.49Å; R117-K177 PolarHBondContact NH2-O 2.86Å; R117-K177 VanDerWaalsContact NH2-O 3.07Å; R117-K177 PolarHBondContact O-NZ 2.95Å; Y119-K177 PolarHBondContact O-NZ 2.56Å; M168-K177 WeakPolarHBondContact CG-O 2.96Å; Q175-K177 HydrophobicContact CG-CB 4.27Å; Q175-K177 PolarHBondContact NE2-O 2.94Å
178S96.4Very high95.5Very high0 Ų048.7 Ų48.70%021%0.209CC..PPolyproline II helixtrans-66.9142.6-174.966.10000113.6E113 F114 R117 T166E113-S178 VanDerWaalsContact C-OG 3.29Å; E113-S178 PolarHBondContact O-N 2.74Å; E113-S178 PolarHBondContact O-OG 3.18Å; F114-S178 WeakPolarHBondContact CA-OG 3.38Å; F114-S178 PolarHBondContact N-OG 2.8Å; R117-S178 PolarHBondContact NE-O 2.93Å; R117-S178 PolarHBondContact NH2-O 3.49Å; T166-S178 WeakPolarHBondContact O-CB 3.46Å
179H97.5Very high95.6Very high6 Ų651.9 Ų51.93%0.02823%0.228CC..PPolyproline II helixtrans-82.4120.5172.7-64.398000109.7M47 Y49 R117 H165 T166 Q175 V360M47-H179 HydrophobicContact CE-CB 4.07Å; M47-H179 WeakPolarHBondContact CE-O 3.48Å; M47-H179 HydrophobicContact SD-CB 3.9Å; Y49-H179 AromaticContact CE1-CE1 3.82Å; Y49-H179 AromaticContact CE1-ND1 3.65Å; Y49-H179 AromaticContact CZ-ND1 3.63Å; Y49-H179 PolarHBondContact OH-ND1 2.77Å; R117-H179 PolarHBondContact NH2-CD2 2.91Å; H165-H179 VanDerWaalsContact CA-O 3.24Å; H165-H179 WeakPolarHBondContact CA-O 3.45Å; T166-H179 PolarHBondContact N-O 2.9Å; T166-H179 WeakPolarHBondContact OG1-CB 3.43Å; T166-H179 PolarHBondContact OG1-N 3.49Å; T166-H179 PolarHBondContact OG1-O 2.88Å; Q175-H179 PolarHBondContact NE2-CE1 3Å; Q175-H179 PolarHBondContact NE2-NE2 2.86Å; H179-V360 HydrophobicContact CB-CG2 4.43Å
180I97Very high95.8Very high22 Ų2246.7 Ų46.711%0.11321%0.212CC..EExtended strand (participates in β ladder)trans-93.8129.5176.4-53.8173.9000111.6R26 F114 R117 F118 I163 A164 H165R26-I180 PolarHBondContact NH1-O 3.25Å; R26-I180 PolarHBondContact NH2-O 3.33Å; F114-I180 HydrophobicContact CD2-CD1 3.55Å; F114-I180 HydrophobicContact CD2-CG1 3.67Å; F114-I180 HydrophobicContact CE2-CD1 3.17Å; F114-I180 HydrophobicContact CE2-CG1 3.6Å; F114-I180 HydrophobicContact CE2-CG2 4.14Å; F114-I180 HydrophobicContact CZ-CD1 3.9Å; R117-I180 HydrophobicContact CB-CD1 3.57Å; R117-I180 HydrophobicContact CB-CG1 4.16Å; R117-I180 HydrophobicContact CG-CD1 3.46Å; R117-I180 VanDerWaalsContact CG-CD1 3.46Å; R117-I180 HydrophobicContact CG-CG1 3.94Å; F118-I180 HydrophobicContact CE2-CD1 3.79Å; F118-I180 HydrophobicContact CZ-CD1 4.05Å; I163-I180 HydrophobicContact CG2-CG2 3.47Å; I163-I180 VanDerWaalsContact CG2-CG2 3.47Å; A164-I180 CarbonylContact O-C 3.47Å; A164-I180 WeakPolarHBondContact O-CA 3.49Å; H165-I180 HydrophobicContact CB-CG1 4.14Å
181M97.1Very high95.9Very high14 Ų1446.5 Ų46.57%0.06922%0.215CC..EExtended strand (participates in β ladder)trans-130.1155.5168.672.2177.9-65.900111A45 M47 M84 A164 V183 T362A45-M181 HydrophobicContact CB-CE 3.75Å; M47-M181 HydrophobicContact CB-SD 4.44Å; M47-M181 HydrophobicContact CE-CB 3.74Å; M47-M181 HydrophobicContact CE-CG 3.46Å; M47-M181 VanDerWaalsContact CE-CG 3.46Å; M47-M181 HydrophobicContact CE-SD 3.73Å; M47-M181 HydrophobicContact CG-SD 3.55Å; M47-M181 VanDerWaalsContact CG-SD 3.55Å; M47-M181 HydrophobicContact SD-CB 4.03Å; M47-M181 HydrophobicContact SD-CG 4.15Å; M47-M181 HydrophobicContact SD-SD 3.93Å; M84-M181 HydrophobicContact CE-CG 3.84Å; M84-M181 HydrophobicContact CE-SD 3.88Å; A164-M181 PolarHBondContact N-O 3.41Å; A164-M181 PolarHBondContact O-N 3.17Å; A164-M181 VanDerWaalsContact O-O 3.09Å; M181-V183 HydrophobicContact CE-CG2 3.71Å; M181-V183 HydrophobicContact CG-CG2 3.78Å; M181-V183 HydrophobicContact SD-CG2 3.77Å; M181-T362 HydrophobicContact CE-CG2 3.72Å; M181-T362 HydrophobicContact SD-CG2 4.36Å
182E97.7Very high96.2Very high70 Ų7051 Ų5133%0.32724%0.236SC..EExtended strand (participates in β ladder)trans-86.7131.8160.6-68.5164.7-133.800108.1F32 Y92 R161 A162 I163F32-E182 WeakPolarHBondContact CZ-O 3.3Å; Y92-E182 WeakPolarHBondContact CE2-OE2 3.18Å; Y92-E182 PolarHBondContact OH-OE2 3.28Å; R161-E182 HydrophobicContact CB-CB 4.11Å; R161-E182 WeakPolarHBondContact CD-OE2 3.38Å; R161-E182 IonicContact NH1-OE2 2.67Å; R161-E182 PolarHBondContact NH1-OE2 2.95Å; A162-E182 CarbonylContact O-C 3.58Å; A162-E182 VanDerWaalsContact O-CA 3.31Å; A162-E182 WeakPolarHBondContact O-CA 3.5Å; I163-E182 HydrophobicContact CG1-CG 4.41Å
183V97.9Very high96.7Very high0 Ų044.1 Ų44.10%021%0.206CC..EExtended strand (participates in β ladder)trans-114.6124.5171.7-176.40000107.4L43 A45 M84 R161 A162 A164 M181L43-V183 HydrophobicContact CB-CG1 3.96Å; L43-V183 HydrophobicContact CD2-CB 3.93Å; L43-V183 HydrophobicContact CD2-CG1 3.59Å; L43-V183 HydrophobicContact CG-CG1 4.31Å; A45-V183 HydrophobicContact CB-CG1 4.08Å; A45-V183 WeakPolarHBondContact O-CG1 3.35Å; M84-V183 HydrophobicContact CE-CG2 4.29Å; R161-V183 CarbonylContact C-O 3.59Å; R161-V183 VanDerWaalsContact CA-O 3.23Å; R161-V183 WeakPolarHBondContact CA-O 3.34Å; R161-V183 WeakPolarHBondContact CB-O 3.4Å; A162-V183 PolarHBondContact N-O 2.7Å; A162-V183 PolarHBondContact O-N 2.81Å; A164-V183 HydrophobicContact CB-CG2 4.48Å; M181-V183 HydrophobicContact CE-CG2 3.71Å; M181-V183 HydrophobicContact CG-CG2 3.78Å; M181-V183 HydrophobicContact SD-CG2 3.77Å
184Q98.1Very high97Very high20 Ų2042.4 Ų42.49%0.09320%0.198CC..EExtended strand (participates in β ladder)trans-71132.3175.9-170172.2-58.300110.1F32 T44 V159 R161 N186F32-Q184 HydrophobicContact CB-CB 3.91Å; F32-Q184 HydrophobicContact CB-CG 4.43Å; F32-Q184 HydrophobicContact CD1-CB 3.74Å; F32-Q184 HydrophobicContact CD2-CB 3.8Å; F32-Q184 HydrophobicContact CE1-CB 4.15Å; F32-Q184 HydrophobicContact CE2-CB 4.23Å; F32-Q184 HydrophobicContact CG-CB 3.53Å; F32-Q184 HydrophobicContact CG-CG 4.47Å; F32-Q184 HydrophobicContact CZ-CB 4.38Å; T44-Q184 WeakPolarHBondContact CB-O 3.47Å; T44-Q184 VanDerWaalsContact CG2-O 3.32Å; T44-Q184 WeakPolarHBondContact CG2-O 3.18Å; T44-Q184 PolarHBondContact N-O 3.08Å; T44-Q184 PolarHBondContact OG1-O 3.08Å; V159-Q184 HydrophobicContact CG1-CG 3.86Å; R161-Q184 HydrophobicContact CG-CB 4.19Å; R161-Q184 HydrophobicContact CG-CG 4.38Å; Q184-N186 WeakPolarHBondContact CG-OD1 3.26Å; Q184-N186 PolarHBondContact NE2-OD1 2.96Å
185V98.3Very high97.1Very high0 Ų033.1 Ų33.10%017%0.167CC..EExtended strand (participates in β ladder)trans-91.4118.6170.8-178.30000107.6P41 H42 L43 V160 A162 K193 W196 I197P41-V185 HydrophobicContact CB-CG1 3.93Å; H42-V185 WeakPolarHBondContact O-CA 3.41Å; L43-V185 HydrophobicContact CD2-CG2 3.94Å; V160-V185 PolarHBondContact O-N 3.37Å; V160-V185 VanDerWaalsContact O-N 3.14Å; A162-V185 HydrophobicContact CB-CG2 4.27Å; V185-K193 HydrophobicContact CG1-CB 4.22Å; V185-K193 HydrophobicContact CG1-CG 4.05Å; V185-K193 WeakPolarHBondContact O-CD 3.29Å; V185-K193 PolarHBondContact O-NZ 2.87Å; V185-W196 HydrophobicContact CG1-CE3 4.15Å; V185-W196 HydrophobicContact CG2-CE3 4.19Å; V185-W196 HydrophobicContact CG2-CZ3 4.1Å; V185-I197 HydrophobicContact CB-CD1 4.22Å; V185-I197 HydrophobicContact CB-CG1 4.44Å; V185-I197 HydrophobicContact CG2-CD1 3.59Å; V185-I197 HydrophobicContact CG2-CG1 3.59Å
186N97.5Very high97.3Very high2 Ų231.9 Ų31.91%0.01116%0.16CC..EExtended strand (participates in β ladder)trans-105.6158.5175.7-766.7000109.1P33 R34 D35 P41 H42 T44 Q184P33-N186 PolarHBondContact O-ND2 2.93Å; R34-N186 PolarHBondContact O-ND2 3.39Å; D35-N186 WeakPolarHBondContact OD1-CA 3.47Å; D35-N186 WeakPolarHBondContact OD1-CB 3.23Å; P41-N186 CarbonylContact C-O 3.57Å; P41-N186 VanDerWaalsContact CA-O 3.24Å; P41-N186 WeakPolarHBondContact CA-O 3.43Å; H42-N186 PolarHBondContact N-O 2.69Å; H42-N186 PolarHBondContact ND1-O 3.16Å; H42-N186 PolarHBondContact O-N 2.81Å; H42-N186 VanDerWaalsContact O-N 3.07Å; T44-N186 HydrophobicContact CG2-CB 3.84Å; T44-N186 WeakPolarHBondContact CG2-ND2 3.43Å; Q184-N186 WeakPolarHBondContact CG-OD1 3.26Å; Q184-N186 PolarHBondContact NE2-OD1 2.96Å
187G96.9Very high97.4Very high0 Ų026 Ų260%013%0.134CC..SBendtrans97.4144.5-178.100000113.7D35 R36 L39 K193D35-G187 PolarHBondContact OD1-N 3.5Å; R36-G187 VanDerWaalsContact O-CA 3.31Å; R36-G187 WeakPolarHBondContact O-CA 3.27Å; L39-G187 CarbonylContact O-C 3.59Å; L39-G187 VanDerWaalsContact O-C 3.25Å; L39-G187 WeakPolarHBondContact O-CA 3.28Å; G187-K193 WeakPolarHBondContact O-CE 3.38Å; G187-K193 WeakPolarHBondContact O-CG 3.3Å
188G96.6Very high97.4Very high4 Ų428.3 Ų28.34%0.04114%0.141CC..SBendtrans66-173.8178.600000115.2R37 L39R37-G188 WeakPolarHBondContact O-CA 3.43Å; R37-G188 PolarHBondContact O-N 3.35Å; R37-G188 VanDerWaalsContact O-N 3.16Å; L39-G188 PolarHBondContact O-N 3.25Å
189T97.2Very high97.5Very high67 Ų6734.1 Ų34.141%0.41117%0.168SC..  trans-74.9163.717369.20000111.4S191 Q192 K193T189-S191 PolarHBondContact O-N 3.13Å; T189-Q192 PolarHBondContact O-N 3.09Å; T189-Q192 WeakPolarHBondContact OG1-CG 3.39Å; T189-Q192 PolarHBondContact OG1-N 3.24Å; T189-K193 WeakPolarHBondContact O-CG 3.19Å; T189-K193 PolarHBondContact O-N 2.76Å
190V97.2Very high97.4Very high31 Ų3136.1 Ų36.119%0.18818%0.177CC..Hα-helixtrans-58.8-37.9177.4178.10000111.4C157 V160 K193 V194C157-V190 WeakPolarHBondContact O-CG1 3.34Å; V160-V190 HydrophobicContact CG2-CG1 3.85Å; V190-K193 PolarHBondContact O-N 2.87Å; V190-V194 WeakPolarHBondContact O-CG2 3.37Å; V190-V194 PolarHBondContact O-N 2.77Å
191S97.1Very high97.4Very high44 Ų4435.6 Ų35.631%0.30818%0.175SC..Hα-helixtrans-61.7-50.9175.6-169.80000111.3K154 T189 K193 V194 D195K154-S191 WeakPolarHBondContact CD-OG 3.5Å; K154-S191 VanDerWaalsContact CE-OG 3.3Å; K154-S191 WeakPolarHBondContact CE-OG 3.49Å; K154-S191 PolarHBondContact NZ-OG 3.41Å; T189-S191 PolarHBondContact O-N 3.13Å; S191-K193 PolarHBondContact O-N 2.97Å; S191-V194 PolarHBondContact O-N 3.36Å; S191-D195 VanDerWaalsContact O-CG 3.28Å; S191-D195 PolarHBondContact O-N 2.96Å; S191-D195 PolarHBondContact OG-OD2 2.87Å
192Q97.6Very high97.3Very high101 Ų10138.4 Ų38.447%0.47219%0.187SC..Hα-helixtrans-56.2-39.2178.7-72.6170.2-23.200111.7P41 T189 W196P41-Q192 HydrophobicContact CG-CB 4.03Å; T189-Q192 PolarHBondContact O-N 3.09Å; T189-Q192 WeakPolarHBondContact OG1-CG 3.39Å; T189-Q192 PolarHBondContact OG1-N 3.24Å; Q192-W196 WeakPolarHBondContact O-CB 3.27Å; Q192-W196 PolarHBondContact O-N 2.82Å
193K98.3Very high97.2Very high4 Ų440.8 Ų40.82%0.01720%0.197CC..Hα-helixtrans-64.1-45174.9-65.7172.8-176.6-173.40112.8D35 V160 V185 G187 T189 V190 S191 D195 I197D35-K193 IonicContact OD1-NZ 3.74Å; D35-K193 PolarHBondContact OD1-NZ 3.09Å; D35-K193 VanDerWaalsContact OD1-NZ 3.12Å; D35-K193 IonicContact OD2-NZ 3.4Å; D35-K193 PolarHBondContact OD2-NZ 3.37Å; V160-K193 HydrophobicContact CB-CB 4.43Å; V185-K193 HydrophobicContact CG1-CB 4.22Å; V185-K193 HydrophobicContact CG1-CG 4.05Å; V185-K193 WeakPolarHBondContact O-CD 3.29Å; V185-K193 PolarHBondContact O-NZ 2.87Å; G187-K193 WeakPolarHBondContact O-CE 3.38Å; G187-K193 WeakPolarHBondContact O-CG 3.3Å; T189-K193 WeakPolarHBondContact O-CG 3.19Å; T189-K193 PolarHBondContact O-N 2.76Å; V190-K193 PolarHBondContact O-N 2.87Å; S191-K193 PolarHBondContact O-N 2.97Å; K193-D195 VanDerWaalsContact C-N 3.35Å; K193-I197 WeakPolarHBondContact O-CG1 3.29Å; K193-I197 PolarHBondContact O-N 3.47Å
194V98Very high97.2Very high0 Ų046.2 Ų46.20%022%0.222CC..Hα-helixtrans-62.4-45.9178.5170.10000110.4M89 L150 I153 K154 V160 V190 S191 I197 R198M89-V194 HydrophobicContact CE-CG1 4.3Å; M89-V194 HydrophobicContact SD-CG1 3.93Å; L150-V194 HydrophobicContact CD2-CG1 3.83Å; I153-V194 HydrophobicContact CG2-CG2 3.66Å; K154-V194 HydrophobicContact CD-CG1 4.46Å; K154-V194 HydrophobicContact CG-CB 3.98Å; K154-V194 HydrophobicContact CG-CG1 4.02Å; K154-V194 HydrophobicContact CG-CG2 3.94Å; V160-V194 HydrophobicContact CG1-CG2 4.17Å; V160-V194 HydrophobicContact CG2-CG2 4.01Å; V190-V194 WeakPolarHBondContact O-CG2 3.37Å; V190-V194 PolarHBondContact O-N 2.77Å; S191-V194 PolarHBondContact O-N 3.36Å; V194-I197 PolarHBondContact O-N 3.09Å; V194-R198 WeakPolarHBondContact O-CB 3.35Å; V194-R198 PolarHBondContact O-N 2.75Å
195D97.8Very high97.1Very high60 Ų6045.5 Ų45.532%0.32122%0.219SC..Hα-helixtrans-65.6-44.1-179.3-64.3-34.8000111K154 S191 K193 I197 R198 Q199K154-D195 WeakPolarHBondContact CE-OD1 3.43Å; K154-D195 IonicContact NZ-OD1 3.88Å; K154-D195 PolarHBondContact NZ-OD1 3.45Å; K154-D195 IonicContact NZ-OD2 3.12Å; K154-D195 PolarHBondContact NZ-OD2 2.7Å; S191-D195 VanDerWaalsContact O-CG 3.28Å; S191-D195 PolarHBondContact O-N 2.96Å; S191-D195 PolarHBondContact OG-OD2 2.87Å; K193-D195 VanDerWaalsContact C-N 3.35Å; D195-I197 PolarHBondContact O-N 3.03Å; D195-R198 PolarHBondContact O-N 2.84Å; D195-Q199 WeakPolarHBondContact O-CG 2.81Å; D195-Q199 PolarHBondContact O-N 3.25Å
196W97.9Very high97Very high49 Ų4946.7 Ų46.719%0.18623%0.227CC..Hα-helixtrans-57.3-47.4174.1-17492.8000111.6P41 L43 I86 V185 Q192 R198 Q199 H200 I205P41-W196 HydrophobicContact CB-CB 3.85Å; P41-W196 HydrophobicContact CB-CD2 4.22Å; P41-W196 HydrophobicContact CB-CG 3.7Å; P41-W196 HydrophobicContact CG-CB 4.32Å; P41-W196 PolarHBondContact O-NE1 2.96Å; L43-W196 HydrophobicContact CD1-CH2 4.17Å; L43-W196 HydrophobicContact CD2-CH2 4.22Å; L43-W196 HydrophobicContact CD2-CZ3 4.05Å; L43-W196 HydrophobicContact CG-CH2 3.73Å; L43-W196 HydrophobicContact CG-CZ3 4.08Å; I86-W196 HydrophobicContact CD1-CH2 4.48Å; I86-W196 HydrophobicContact CD1-CZ3 4.09Å; V185-W196 HydrophobicContact CG1-CE3 4.15Å; V185-W196 HydrophobicContact CG2-CE3 4.19Å; V185-W196 HydrophobicContact CG2-CZ3 4.1Å; Q192-W196 WeakPolarHBondContact O-CB 3.27Å; Q192-W196 PolarHBondContact O-N 2.82Å; W196-R198 VanDerWaalsContact C-N 3.34Å; W196-R198 PolarHBondContact O-N 2.43Å; W196-Q199 PolarHBondContact O-N 3.05Å; W196-H200 AromaticContact CD1-CE1 3.88Å; W196-H200 AromaticContact CD2-CE1 3.88Å; W196-H200 AromaticContact CD2-ND1 3.71Å; W196-H200 AromaticContact CE2-CE1 3.33Å; W196-H200 AromaticContact CE2-ND1 3.61Å; W196-H200 AromaticContact CE2-NE2 3.92Å; W196-H200 AromaticContact CZ2-CE1 3.58Å; W196-H200 AromaticContact CZ2-ND1 3.88Å; W196-H200 AromaticContact CZ2-NE2 3.69Å; W196-H200 AromaticContact NE1-CE1 3.37Å; W196-H200 PolarHBondContact NE1-CE1 2.78Å; W196-H200 AromaticContact NE1-ND1 3.96Å; W196-H200 PolarHBondContact O-N 2.6Å; W196-H200 PolarHBondContact O-ND1 2.95Å; W196-I205 HydrophobicContact CH2-CD1 4.27Å
197I97.8Very high97Very high0 Ų046.6 Ų46.60%023%0.226CC..Hα-helixtrans-64.8-40.6178.6-62.4165.3000110.8I86 M89 V160 A162 V185 K193 V194 D195 Q199 H200 F201I86-I197 HydrophobicContact CG2-CG2 3.95Å; M89-I197 HydrophobicContact CB-CD1 4.24Å; M89-I197 HydrophobicContact CB-CG2 3.77Å; M89-I197 HydrophobicContact CE-CB 4.06Å; M89-I197 HydrophobicContact CE-CG2 4.01Å; V160-I197 HydrophobicContact CB-CD1 4.34Å; V160-I197 HydrophobicContact CG1-CD1 3.48Å; V160-I197 VanDerWaalsContact CG1-CD1 3.48Å; A162-I197 HydrophobicContact CB-CD1 4.31Å; A162-I197 HydrophobicContact CB-CG1 4.24Å; A162-I197 HydrophobicContact CB-CG2 4.09Å; V185-I197 HydrophobicContact CB-CD1 4.22Å; V185-I197 HydrophobicContact CB-CG1 4.44Å; V185-I197 HydrophobicContact CG2-CD1 3.59Å; V185-I197 HydrophobicContact CG2-CG1 3.59Å; K193-I197 WeakPolarHBondContact O-CG1 3.29Å; K193-I197 PolarHBondContact O-N 3.47Å; V194-I197 PolarHBondContact O-N 3.09Å; D195-I197 PolarHBondContact O-N 3.03Å; I197-Q199 VanDerWaalsContact C-N 3.32Å; I197-Q199 PolarHBondContact O-N 3.43Å; I197-H200 CarbonylContact O-C 3.52Å; I197-H200 PolarHBondContact O-N 2.92Å; I197-H200 VanDerWaalsContact O-N 3.09Å; I197-F201 HydrophobicContact CG2-CD1 4.1Å; I197-F201 HydrophobicContact CG2-CE1 3.65Å; I197-F201 WeakPolarHBondContact O-CD1 3.08Å; I197-F201 PolarHBondContact O-N 3.03Å; I197-F201 VanDerWaalsContact O-N 3.13Å
198R96.3Very high97Very high100 Ų10049.6 Ų49.638%0.37725%0.248SC..Hα-helixtrans-61.2-40.4178.9176.361.3-176.1107.5-4.4112M89 V194 D195 W196 H200 F201M89-R198 HydrophobicContact CE-CB 4.06Å; V194-R198 WeakPolarHBondContact O-CB 3.35Å; V194-R198 PolarHBondContact O-N 2.75Å; D195-R198 PolarHBondContact O-N 2.84Å; W196-R198 VanDerWaalsContact C-N 3.34Å; W196-R198 PolarHBondContact O-N 2.43Å; R198-H200 PolarHBondContact O-N 3.23Å; R198-F201 WeakPolarHBondContact O-CB 3.02Å; R198-F201 PolarHBondContact O-N 3.48Å
199Q97Very high97Very high123 Ų12355 Ų5558%0.57528%0.275SS*.Hα-helixtrans-66.7-24175.8-72.2172.6-500113.1D195 W196 I197 K203D195-Q199 WeakPolarHBondContact O-CG 2.81Å; D195-Q199 PolarHBondContact O-N 3.25Å; W196-Q199 PolarHBondContact O-N 3.05Å; I197-Q199 VanDerWaalsContact C-N 3.32Å; I197-Q199 PolarHBondContact O-N 3.43Å; Q199-K203 WeakPolarHBondContact O-CD 3.38Å; Q199-K203 WeakPolarHBondContact O-CE 3.45Å; Q199-K203 PolarHBondContact O-NZ 3.26Å
200H97Very high97Very high47 Ų4752 Ų5222%0.21826%0.257CS..THydrogen-bonded Turntrans-98.94.5179-69.579.8000113.7I86 W196 I197 R198 E202 K203 I205I86-H200 WeakPolarHBondContact CB-O 3.37Å; I86-H200 HydrophobicContact CD1-CB 3.9Å; W196-H200 AromaticContact CD1-CE1 3.88Å; W196-H200 AromaticContact CD2-CE1 3.88Å; W196-H200 AromaticContact CD2-ND1 3.71Å; W196-H200 AromaticContact CE2-CE1 3.33Å; W196-H200 AromaticContact CE2-ND1 3.61Å; W196-H200 AromaticContact CE2-NE2 3.92Å; W196-H200 AromaticContact CZ2-CE1 3.58Å; W196-H200 AromaticContact CZ2-ND1 3.88Å; W196-H200 AromaticContact CZ2-NE2 3.69Å; W196-H200 AromaticContact NE1-CE1 3.37Å; W196-H200 PolarHBondContact NE1-CE1 2.78Å; W196-H200 AromaticContact NE1-ND1 3.96Å; W196-H200 PolarHBondContact O-N 2.6Å; W196-H200 PolarHBondContact O-ND1 2.95Å; I197-H200 CarbonylContact O-C 3.52Å; I197-H200 PolarHBondContact O-N 2.92Å; I197-H200 VanDerWaalsContact O-N 3.09Å; R198-H200 PolarHBondContact O-N 3.23Å; H200-E202 PolarHBondContact O-N 3.44Å; H200-K203 PolarHBondContact O-N 3.19Å; H200-I205 HydrophobicContact CB-CD1 4.49Å
201F96.4Very high97.1Very high12 Ų1250.6 Ų50.65%0.05325%0.249CC..BIsolated β-bridgetrans-56.8134171.4-824.1000110.5I86 G88 M89 V105 A107 W137 I197 R198 K203I86-F201 HydrophobicContact CG2-CD1 3.83Å; I86-F201 HydrophobicContact CG2-CE1 4.17Å; G88-F201 VanDerWaalsContact C-CE1 3.49Å; M89-F201 HydrophobicContact CB-CE1 4.35Å; M89-F201 HydrophobicContact CB-CZ 4.42Å; M89-F201 HydrophobicContact CE-CE1 3.8Å; M89-F201 HydrophobicContact CE-CE2 4.27Å; M89-F201 HydrophobicContact CE-CZ 3.47Å; M89-F201 VanDerWaalsContact CE-CZ 3.47Å; M89-F201 HydrophobicContact CG-CZ 4.18Å; V105-F201 HydrophobicContact CG1-CE2 4.24Å; V105-F201 HydrophobicContact CG1-CZ 4.39Å; A107-F201 HydrophobicContact CB-CB 4.11Å; A107-F201 HydrophobicContact CB-CD2 3.89Å; A107-F201 HydrophobicContact CB-CE2 4.47Å; A107-F201 HydrophobicContact CB-CG 4.04Å; W137-F201 HydrophobicContact CZ2-CE2 4.38Å; I197-F201 HydrophobicContact CG2-CD1 4.1Å; I197-F201 HydrophobicContact CG2-CE1 3.65Å; I197-F201 WeakPolarHBondContact O-CD1 3.08Å; I197-F201 PolarHBondContact O-N 3.03Å; I197-F201 VanDerWaalsContact O-N 3.13Å; R198-F201 WeakPolarHBondContact O-CB 3.02Å; R198-F201 PolarHBondContact O-N 3.48Å; F201-K203 PolarHBondContact O-N 2.78Å
202E95.4Very high97Very high72 Ų7252.1 Ų52.134%0.33626%0.259SS..THydrogen-bonded Turntrans66.4-5.2177.6-53.3171.8-164.700114.6I86 A107 E108 H109 H200I86-E202 PolarHBondContact O-N 3.05Å; A107-E202 HydrophobicContact CB-CG 3.71Å; A107-E202 WeakPolarHBondContact CB-OE1 3.21Å; E108-E202 WeakPolarHBondContact CA-OE1 3.27Å; E108-E202 WeakPolarHBondContact CB-OE1 3.34Å; E108-E202 PolarHBondContact N-OE1 3.02Å; H109-E202 IonicContact CD2-OE2 3.25Å; H109-E202 PolarHBondContact CD2-OE2 2.93Å; H109-E202 VanDerWaalsContact CD2-OE2 3.28Å; H109-E202 IonicContact CG-OE2 3.8Å; H109-E202 PolarHBondContact N-OE1 3.11Å; H200-E202 PolarHBondContact O-N 3.44Å
203K96.2Very high96.9Very high120 Ų12051.9 Ų51.952%0.52226%0.258SS..  trans-79.9147.2174.5-61.6-173-177.5166.20111.2Q199 H200 F201Q199-K203 WeakPolarHBondContact O-CD 3.38Å; Q199-K203 WeakPolarHBondContact O-CE 3.45Å; Q199-K203 PolarHBondContact O-NZ 3.26Å; H200-K203 PolarHBondContact O-N 3.19Å; F201-K203 PolarHBondContact O-N 2.78Å
204Q96.1Very high96.8Very high114 Ų11453.3 Ų53.353%0.53327%0.266SS..EExtended strand (participates in β ladder)trans-82.7136.5173.4-59.4-162.222.500109.9P83 V85P83-Q204 HydrophobicContact CB-CB 4.07Å; V85-Q204 HydrophobicContact CG2-CG 4.28Å
205I96.8Very high96.8Very high6 Ų655.3 Ų55.33%0.03128%0.275CS..EExtended strand (participates in β ladder)trans-118.2117.9175.5-62.1176.5000107.8L43 F46 P83 M84 I86 W196 H200 N209 V210L43-I205 HydrophobicContact CD1-CD1 3.58Å; L43-I205 HydrophobicContact CD1-CG2 3.95Å; F46-I205 WeakPolarHBondContact CE2-O 3.19Å; P83-I205 WeakPolarHBondContact CA-O 3.37Å; M84-I205 PolarHBondContact N-O 3.47Å; M84-I205 PolarHBondContact O-N 2.98Å; I86-I205 HydrophobicContact CD1-CD1 3.29Å; I86-I205 HydrophobicContact CG1-CD1 3.64Å; W196-I205 HydrophobicContact CH2-CD1 4.27Å; H200-I205 HydrophobicContact CB-CD1 4.49Å; I205-N209 HydrophobicContact CG2-CB 4.04Å; I205-V210 HydrophobicContact CG2-CG2 3.98Å
206S96.8Very high96.8Very high24 Ų2453.5 Ų53.517%0.16827%0.265CS..  trans-71.6165173.164.10000110.9S208 N209S206-S208 VanDerWaalsContact C-N 3.32Å; S206-S208 PolarHBondContact OG-OG 3.24Å; S206-N209 PolarHBondContact O-N 3.19Å; S206-N209 PolarHBondContact OG-N 3.1Å; S206-N209 PolarHBondContact OG-OD1 2.81Å
207V97.7Very high96.7Very high0 Ų051.2 Ų51.20%026%0.256CS..SBendtrans-71.6-29.1176.167.50000112.5F46 C81 N209 V210 F211 I287 D345 V347F46-V207 HydrophobicContact CD1-CB 4.19Å; F46-V207 HydrophobicContact CD1-CG2 4Å; F46-V207 HydrophobicContact CE1-CB 4Å; F46-V207 HydrophobicContact CE1-CG2 4.32Å; F46-V207 HydrophobicContact CE2-CB 4.48Å; F46-V207 HydrophobicContact CG-CG2 4.23Å; F46-V207 HydrophobicContact CZ-CB 4.14Å; C81-V207 HydrophobicContact CB-CB 3.89Å; C81-V207 HydrophobicContact CB-CG1 3.95Å; C81-V207 HydrophobicContact CB-CG2 4.18Å; V207-N209 VanDerWaalsContact C-N 3.27Å; V207-N209 PolarHBondContact O-N 3.07Å; V207-V210 PolarHBondContact O-N 2.88Å; V207-V210 VanDerWaalsContact O-N 3.09Å; V207-F211 HydrophobicContact CG2-CD2 3.91Å; V207-F211 PolarHBondContact O-N 3.33Å; V207-I287 HydrophobicContact CG1-CG2 3.79Å; V207-D345 HydrophobicContact CG1-CB 4.06Å; V207-V347 HydrophobicContact CB-CG2 4.38Å; V207-V347 HydrophobicContact CG1-CG2 4.04Å; V207-V347 HydrophobicContact CG2-CG2 3.49Å; V207-V347 VanDerWaalsContact CG2-CG2 3.49Å
208S96.8Very high96.8Very high64 Ų6451.3 Ų51.345%0.44826%0.257SS..THydrogen-bonded Turntrans-65-28.4176.550.30000113.1S206 V210S206-S208 VanDerWaalsContact C-N 3.32Å; S206-S208 PolarHBondContact OG-OG 3.24Å; S208-V210 PolarHBondContact O-N 3.02Å
209N96.1Very high96.8Very high116 Ų11646.5 Ų46.562%0.6224%0.239SC*.THydrogen-bonded Turntrans-73-14.9174.5-67.7-0000112.9I205 S206 V207I205-N209 HydrophobicContact CG2-CB 4.04Å; S206-N209 PolarHBondContact O-N 3.19Å; S206-N209 PolarHBondContact OG-N 3.1Å; S206-N209 PolarHBondContact OG-OD1 2.81Å; V207-N209 VanDerWaalsContact C-N 3.27Å; V207-N209 PolarHBondContact O-N 3.07Å
210V97.6Very high96.9Very high5 Ų540.7 Ų40.73%0.0321%0.212CC..THydrogen-bonded Turntrans-106.2-46.4-177.3-176.60000111.5L43 F46 I205 V207 S208 K365L43-V210 HydrophobicContact CB-CG1 4.15Å; L43-V210 HydrophobicContact CB-CG2 3.96Å; L43-V210 HydrophobicContact CD1-CG2 3.99Å; F46-V210 HydrophobicContact CD2-CG2 3.93Å; I205-V210 HydrophobicContact CG2-CG2 3.98Å; V207-V210 PolarHBondContact O-N 2.88Å; V207-V210 VanDerWaalsContact O-N 3.09Å; S208-V210 PolarHBondContact O-N 3.02Å; V210-K365 WeakPolarHBondContact O-CE 3.41Å; V210-K365 PolarHBondContact O-NZ 3.25Å
211F97.8Very high97Very high2 Ų238.4 Ų38.41%0.00920%0.201CC..  trans-117.9145.2-177.2-61.7-68.6000111F46 V207 I217 I284 I287 L363 K365F46-F211 HydrophobicContact CB-CD2 4.39Å; F46-F211 HydrophobicContact CB-CE2 3.63Å; V207-F211 HydrophobicContact CG2-CD2 3.91Å; V207-F211 PolarHBondContact O-N 3.33Å; F211-I217 HydrophobicContact CD1-CG2 3.41Å; F211-I217 VanDerWaalsContact CD1-CG2 3.41Å; F211-I217 HydrophobicContact CE1-CB 4.33Å; F211-I217 HydrophobicContact CE1-CG2 3.53Å; F211-I217 HydrophobicContact CG-CG2 4.18Å; F211-I217 HydrophobicContact CZ-CG2 4.4Å; F211-I284 HydrophobicContact CB-CD1 3.69Å; F211-I284 HydrophobicContact CG-CD1 4.15Å; F211-I287 HydrophobicContact CB-CD1 4.21Å; F211-I287 WeakPolarHBondContact O-CD1 3.46Å; F211-L363 HydrophobicContact CE2-CB 3.58Å; F211-L363 HydrophobicContact CE2-CD1 4.29Å; F211-L363 HydrophobicContact CZ-CB 3.69Å; F211-K365 HydrophobicContact CD1-CG 4Å; F211-K365 HydrophobicContact CE1-CB 4.4Å; F211-K365 HydrophobicContact CE1-CG 3.58Å
212S96.5Very high97Very high76 Ų7637.9 Ų37.953%0.53120%0.199SC..  trans-96.6158.1173.3-57.90000111.1E215S212-E215 PolarHBondContact N-OE2 3.18Å; S212-E215 VanDerWaalsContact N-OE2 3.09Å; S212-E215 WeakPolarHBondContact O-CB 3.35Å; S212-E215 PolarHBondContact O-N 3.07Å
213Q95.6Very high97.2Very high96 Ų9635.9 Ų35.945%0.44919%0.191SC..THydrogen-bonded Turntrans-60149.2166.3-175161.9-25.900109.9E215 Y285Q213-E215 PolarHBondContact O-N 3.31Å; Q213-Y285 PolarHBondContact NE2-O 3.23Å
214D96.4Very high97.3Very high33 Ų3335.7 Ų35.718%0.17619%0.191CC..THydrogen-bonded Turntrans64.9-0.2-178-54-23.7000116.5K283 I284 K378 I379D214-K283 WeakPolarHBondContact O-CE 3.24Å; D214-K283 PolarHBondContact O-NZ 2.79Å; D214-I284 VanDerWaalsContact CA-O 3.29Å; D214-I284 WeakPolarHBondContact CA-O 3.47Å; D214-I284 PolarHBondContact N-O 3.01Å; D214-K378 VanDerWaalsContact OD2-CA 3.31Å; D214-K378 WeakPolarHBondContact OD2-CA 3.29Å; D214-I379 VanDerWaalsContact CG-N 3.32Å; D214-I379 WeakPolarHBondContact OD1-CB 3.42Å; D214-I379 VanDerWaalsContact OD1-CG1 3.22Å; D214-I379 WeakPolarHBondContact OD1-CG1 3.29Å; D214-I379 PolarHBondContact OD1-N 3.17Å; D214-I379 PolarHBondContact OD2-N 3Å
215E96.2Very high97.3Very high43 Ų4332.4 Ų32.420%0.20119%0.188CC..  trans-69.5146.4175.5-165.4-17616700111.4S212 Q213 I284S212-E215 PolarHBondContact N-OE2 3.18Å; S212-E215 VanDerWaalsContact N-OE2 3.09Å; S212-E215 WeakPolarHBondContact O-CB 3.35Å; S212-E215 PolarHBondContact O-N 3.07Å; Q213-E215 PolarHBondContact O-N 3.31Å; E215-I284 PolarHBondContact O-N 2.8Å
216M97.9Very high97.4Very high22 Ų2237.7 Ų37.711%0.10821%0.21CC..EExtended strand (participates in β ladder)trans-85.2129.6168.3-63.3-64.7-81.800109.8N281 K283 T366 Q370M216-N281 VanDerWaalsContact CE-C 3.47Å; M216-N281 HydrophobicContact CE-CB 3.56Å; M216-N281 WeakPolarHBondContact CE-O 3.5Å; M216-K283 HydrophobicContact SD-CB 3.56Å; M216-K283 VanDerWaalsContact SD-CB 3.56Å; M216-K283 HydrophobicContact SD-CD 3.83Å; M216-K283 HydrophobicContact SD-CG 3.92Å; M216-T366 HydrophobicContact CB-CG2 3.92Å; M216-T366 WeakPolarHBondContact O-CG2 3.33Å; M216-Q370 HydrophobicContact CB-CB 4.28Å; M216-Q370 HydrophobicContact CB-CG 3.93Å; M216-Q370 HydrophobicContact CG-CB 4.14Å; M216-Q370 HydrophobicContact CG-CG 4.19Å
217I97.6Very high97.4Very high0 Ų038.2 Ų38.20%022%0.22CC..EExtended strand (participates in β ladder)trans-126.2160.4178.263.9163.9000112F211 V219 N281 K282 I284 I349 L363F211-I217 HydrophobicContact CD1-CG2 3.41Å; F211-I217 VanDerWaalsContact CD1-CG2 3.41Å; F211-I217 HydrophobicContact CE1-CB 4.33Å; F211-I217 HydrophobicContact CE1-CG2 3.53Å; F211-I217 HydrophobicContact CG-CG2 4.18Å; F211-I217 HydrophobicContact CZ-CG2 4.4Å; I217-V219 HydrophobicContact CD1-CG2 4.24Å; I217-V219 HydrophobicContact CG1-CG2 4.39Å; I217-N281 PolarHBondContact O-N 3.21Å; I217-K282 HydrophobicContact CG1-CB 4.35Å; I217-K282 VanDerWaalsContact CG1-O 3.28Å; I217-K282 WeakPolarHBondContact CG1-O 3.47Å; I217-K282 PolarHBondContact N-O 3.37Å; I217-K282 PolarHBondContact O-N 2.76Å; I217-I284 HydrophobicContact CD1-CD1 4.07Å; I217-I284 HydrophobicContact CD1-CG1 3.94Å; I217-I284 HydrophobicContact CG1-CD1 4.35Å; I217-I284 HydrophobicContact CG1-CG1 4.04Å; I217-I284 HydrophobicContact CG2-CD1 3.67Å; I217-I284 HydrophobicContact CG2-CG1 4.14Å; I217-I349 HydrophobicContact CD1-CG2 3.98Å; I217-L363 HydrophobicContact CD1-CB 4.21Å; I217-L363 HydrophobicContact CD1-CD1 4.24Å; I217-L363 HydrophobicContact CD1-CD2 3.94Å; I217-L363 HydrophobicContact CD1-CG 4.34Å
218D98.1Very high97.5Very high2 Ų245.7 Ų45.71%0.01125%0.252CS..EExtended strand (participates in β ladder)trans-102.5133.4171.1-61.7-26.6000109.8T278 E279 L280 N281 R364 L367D218-T278 HydrophobicContact CB-CG2 4.3Å; D218-E279 WeakPolarHBondContact CA-O 3.45Å; D218-L280 HydrophobicContact CB-CD2 4.12Å; D218-L280 WeakPolarHBondContact OD1-CA 3.25Å; D218-L280 WeakPolarHBondContact OD1-CD2 3.47Å; D218-L280 WeakPolarHBondContact OD2-CD2 3.44Å; D218-N281 PolarHBondContact OD1-N 3.19Å; D218-N281 VanDerWaalsContact OD1-N 3.11Å; D218-R364 HydrophobicContact CB-CB 4.39Å; D218-R364 PolarHBondContact N-O 3.39Å; D218-R364 PolarHBondContact O-N 3.11Å; D218-R364 IonicContact OD2-CZ 3.28Å; D218-R364 IonicContact OD2-NE 2.8Å; D218-R364 PolarHBondContact OD2-NE 2.67Å; D218-R364 IonicContact OD2-NH2 3.78Å; D218-R364 PolarHBondContact OD2-NH2 3.02Å; D218-L367 PolarHBondContact OD2-N 2.97Å
219V98.1Very high97.5Very high0 Ų046.8 Ų46.80%025%0.249CC..EExtended strand (participates in β ladder)trans-109.5116.3-177.1-173.30000109.1I217 T278 E279 K282 I349 C353 M354 I361 L363I217-V219 HydrophobicContact CD1-CG2 4.24Å; I217-V219 HydrophobicContact CG1-CG2 4.39Å; V219-T278 WeakPolarHBondContact O-CA 3.27Å; V219-E279 PolarHBondContact N-O 3.5Å; V219-E279 PolarHBondContact O-N 3.21Å; V219-K282 HydrophobicContact CB-CG 4.4Å; V219-K282 HydrophobicContact CG2-CB 3.91Å; V219-K282 HydrophobicContact CG2-CG 3.71Å; V219-I349 HydrophobicContact CG2-CD1 4.12Å; V219-C353 HydrophobicContact CG1-CB 3.89Å; V219-M354 HydrophobicContact CB-CE 4.01Å; V219-M354 HydrophobicContact CG1-CE 3.78Å; V219-M354 HydrophobicContact CG1-SD 3.76Å; V219-M354 WeakPolarHBondContact O-CE 3.15Å; V219-I361 HydrophobicContact CG1-CG2 3.15Å; V219-L363 HydrophobicContact CG1-CD2 4.14Å; V219-L363 HydrophobicContact CG2-CD2 4.04Å
220I98.2Very high97.6Very high0 Ų043 Ų430%024%0.237CC..EExtended strand (participates in β ladder)trans-114.6124.8-173.6-49179000109.3C29 H276 R277 T278 T362 R364C29-I220 HydrophobicContact CB-CD1 4.32Å; I220-H276 WeakPolarHBondContact CG2-NE2 3.4Å; I220-R277 WeakPolarHBondContact CA-O 3.35Å; I220-T278 HydrophobicContact CD1-CG2 4.43Å; I220-T278 HydrophobicContact CG1-CG2 3.86Å; I220-T362 WeakPolarHBondContact CA-O 3.35Å; I220-T362 WeakPolarHBondContact CB-O 3.42Å; I220-T362 PolarHBondContact N-O 2.92Å; I220-T362 PolarHBondContact O-N 2.67Å; I220-R364 HydrophobicContact CD1-CB 4.09Å
221G97.9Very high97.6Very high0 Ų043.3 Ų43.30%024%0.239CC..EExtended strand (participates in β ladder)trans-163.7-172.9-178.100000113.8H276 R277G221-H276 WeakPolarHBondContact O-CA 3.03Å; G221-R277 PolarHBondContact N-O 2.76Å; G221-R277 PolarHBondContact O-N 2.8Å
222V98.1Very high97.6Very high0 Ų044 Ų440%024%0.244CC..EExtended strand (participates in β ladder)trans-103.1138.1172.5177.40000108.5C22 R24 I25 Y274 F275 G355 R359C22-V222 HydrophobicContact CB-CG2 4.14Å; R24-V222 WeakPolarHBondContact O-CG2 3.43Å; I25-V222 VanDerWaalsContact O-CG2 3.23Å; I25-V222 WeakPolarHBondContact O-CG2 3.47Å; V222-Y274 HydrophobicContact CG1-CD1 4.13Å; V222-Y274 HydrophobicContact CG1-CD2 3.84Å; V222-Y274 HydrophobicContact CG1-CE1 4.39Å; V222-Y274 HydrophobicContact CG1-CE2 4.12Å; V222-Y274 HydrophobicContact CG1-CG 3.84Å; V222-F275 CarbonylContact C-O 3.08Å; V222-F275 VanDerWaalsContact CA-O 3.26Å; V222-F275 WeakPolarHBondContact CA-O 3.24Å; V222-G355 WeakPolarHBondContact O-CA 3.48Å; V222-R359 VanDerWaalsContact C-NH1 3.3Å; V222-R359 WeakPolarHBondContact O-CD 3.35Å; V222-R359 PolarHBondContact O-NH1 3.36Å
223T98.3Very high97.6Very high30 Ų3042.1 Ų42.118%0.18423%0.23CC..PPolyproline II helixtrans-76.3156.9179600000112.5G225 Y274 F275 R277 M354 R359T223-G225 PolarHBondContact O-N 2.82Å; T223-Y274 VanDerWaalsContact O-CA 3.27Å; T223-Y274 WeakPolarHBondContact O-CA 3.15Å; T223-Y274 PolarHBondContact O-N 3.28Å; T223-Y274 VanDerWaalsContact O-N 3.12Å; T223-Y274 PolarHBondContact OG1-N 2.86Å; T223-Y274 VanDerWaalsContact OG1-N 3.16Å; T223-F275 PolarHBondContact N-O 2.68Å; T223-F275 PolarHBondContact OG1-N 2.86Å; T223-R277 HydrophobicContact CG2-CB 4.2Å; T223-R277 HydrophobicContact CG2-CG 3.53Å; T223-M354 HydrophobicContact CG2-CB 4.11Å; T223-R359 PolarHBondContact O-NH1 2.9Å
224K98.1Very high97.7Very high117 Ų11739.4 Ų39.451%0.50922%0.216SC..PPolyproline II helixtrans-51.4131.3175.7-69.9179.6176.9-179.90109.8G273 Y274 G355 P356K224-G273 VanDerWaalsContact O-CA 3.23Å; K224-G273 WeakPolarHBondContact O-CA 3.42Å; K224-Y274 PolarHBondContact O-N 3.04Å; K224-G355 WeakPolarHBondContact CE-O 3.49Å; K224-P356 HydrophobicContact CG-CB 4.15Å; K224-P356 HydrophobicContact CG-CG 4.46Å
225G97.5Very high97.7Very high45 Ų4538.4 Ų38.446%0.46421%0.21SC..EExtended strand (participates in β ladder)trans-74.9133.3176.200000109.7T223T223-G225 PolarHBondContact O-N 2.82Å
226K98.2Very high97.8Very high117 Ų11742.8 Ų42.851%0.50923%0.23SC..EExtended strand (participates in β ladder)trans-121.811.8176.9-59.1-174.3176.5-171.50112.3K229 K272K226-K229 HydrophobicContact CB-CG 4.5Å; K226-K229 WeakPolarHBondContact O-CE 3.45Å; K226-K272 WeakPolarHBondContact CA-O 3.36Å; K226-K272 HydrophobicContact CB-CB 4.24Å; K226-K272 HydrophobicContact CB-CG 4.28Å; K226-K272 WeakPolarHBondContact CB-O 3.05Å; K226-K272 HydrophobicContact CD-CD 4Å; K226-K272 HydrophobicContact CD-CG 4.23Å; K226-K272 PolarHBondContact N-O 3.24Å
227G97.8Very high97.7Very high35 Ų3542.3 Ų42.336%0.36123%0.229SC..EExtended strand (participates in β ladder)trans65.3-156.1-179.600000114.2K272G227-K272 PolarHBondContact O-N 3.03Å
228F98.3Very high97.6Very high156 Ų15650.8 Ų50.868%0.68427%0.265SS*.EExtended strand (participates in β ladder)trans-72.8130.6172.3-166-82.3000110A269F228-A269 HydrophobicContact CE1-CB 3.91Å; F228-A269 HydrophobicContact CZ-CB 4.01Å
229K98.1Very high97.6Very high87 Ų8756.3 Ų56.338%0.37829%0.289SS..EExtended strand (participates in β ladder)trans-136144.9179.2-69.2-64.9179.2-169.30111.4K226 A269 G270 K272K226-K229 HydrophobicContact CB-CG 4.5Å; K226-K229 WeakPolarHBondContact O-CE 3.45Å; K229-A269 WeakPolarHBondContact O-CA 3.24Å; K229-G270 PolarHBondContact N-O 3.07Å; K229-G270 PolarHBondContact O-N 2.9Å; K229-K272 HydrophobicContact CB-CB 3.86Å; K229-K272 HydrophobicContact CB-CD 4.26Å; K229-K272 HydrophobicContact CG-CB 3.73Å; K229-K272 HydrophobicContact CG-CD 4.01Å; K229-K272 HydrophobicContact CG-CG 4.46Å
230G97.5Very high97.6Very high37 Ų3758.2 Ų58.238%0.38130%0.299SS..  trans-64.3163.5172.500000113.5T232 S233 R234G230-T232 VanDerWaalsContact C-N 3.34Å; G230-T232 PolarHBondContact O-N 3.43Å; G230-S233 PolarHBondContact O-N 3.2Å; G230-S233 VanDerWaalsContact O-N 3.1Å; G230-R234 WeakPolarHBondContact O-CB 3.49Å; G230-R234 PolarHBondContact O-N 3.42Å
231V97.6Very high97.5Very high11 Ų1162.9 Ų62.97%0.06733%0.329CS..Hα-helixtrans-55.4-42.7-174.3-67.40000113.4S233 R234 W235 R249 V251 A267 A269V231-S233 VanDerWaalsContact C-N 3.31Å; V231-S233 PolarHBondContact O-N 3.33Å; V231-R234 PolarHBondContact O-N 2.7Å; V231-W235 WeakPolarHBondContact O-CA 3.33Å; V231-W235 WeakPolarHBondContact O-CB 3.47Å; V231-W235 PolarHBondContact O-N 2.74Å; V231-R249 WeakPolarHBondContact CG2-O 3.22Å; V231-V251 HydrophobicContact CB-CG2 4.13Å; V231-V251 HydrophobicContact CG1-CG2 4.23Å; V231-V251 HydrophobicContact CG2-CG2 4.02Å; V231-A267 VanDerWaalsContact CG1-O 3.28Å; V231-A267 WeakPolarHBondContact CG1-O 3.46Å; V231-A269 HydrophobicContact CG1-CB 4.43Å; V231-A269 VanDerWaalsContact CG1-N 3.25Å
232T97.1Very high97.5Very high17 Ų1772.7 Ų72.710%0.10437%0.367CS..Hα-helixtrans-57.5-42.8177.9-50.40000111.6G230 H236 T237 K239G230-T232 VanDerWaalsContact C-N 3.34Å; G230-T232 PolarHBondContact O-N 3.43Å; T232-H236 WeakPolarHBondContact O-CA 3.41Å; T232-H236 PolarHBondContact O-N 3.04Å; T232-H236 VanDerWaalsContact O-N 3.08Å; T232-T237 WeakPolarHBondContact CA-OG1 3.21Å; T232-T237 PolarHBondContact N-OG1 3.08Å; T232-K239 HydrophobicContact CG2-CG 3.92Å
233S97Very high97.4Very high36 Ų3681.7 Ų81.725%0.25241%0.406SS..Hα-helixtrans-80.3-39177.4-167.50000111.7G230 V231 K272G230-S233 PolarHBondContact O-N 3.2Å; G230-S233 VanDerWaalsContact O-N 3.1Å; V231-S233 VanDerWaalsContact C-N 3.31Å; V231-S233 PolarHBondContact O-N 3.33Å; S233-K272 VanDerWaalsContact O-CE 3.29Å; S233-K272 WeakPolarHBondContact O-CE 3.47Å; S233-K272 PolarHBondContact O-NZ 3.07Å; S233-K272 PolarHBondContact OG-NZ 3.12Å
234R97.6Very high97.3Very high39 Ų3982.1 Ų82.115%0.14741%0.408CS..Hα-helixtrans-75.4-33.2-172.7-170.7-178.1-174.7-150.15.7113.8K19 G230 V231 R268 A269 Q271K19-R234 PolarHBondContact NZ-O 2.79Å; K19-R234 PolarHBondContact O-NH2 2.89Å; K19-R234 VanDerWaalsContact O-NH2 3.09Å; G230-R234 WeakPolarHBondContact O-CB 3.49Å; G230-R234 PolarHBondContact O-N 3.42Å; V231-R234 PolarHBondContact O-N 2.7Å; R234-R268 WeakPolarHBondContact CD-O 3.19Å; R234-R268 PolarHBondContact NH1-O 3.42Å; R234-A269 VanDerWaalsContact NH1-C 3.3Å; R234-A269 PolarHBondContact NH1-O 3.01Å; R234-Q271 PolarHBondContact NE-O 2.83Å
235W97.2Very high97.2Very high13 Ų1384.9 Ų84.95%0.04942%0.423CS..Hα-helixtrans-122.5-6.9-174.2-67.4101.7000113.6H11 T17 K19 V231 T237 A267 R268H11-W235 VanDerWaalsContact O-CE3 3.28Å; T17-W235 HydrophobicContact CG2-CH2 3.89Å; K19-W235 HydrophobicContact CD-CH2 3.9Å; K19-W235 HydrophobicContact CD-CZ2 3.75Å; K19-W235 HydrophobicContact CD-CZ3 4.43Å; K19-W235 VanDerWaalsContact NZ-CD2 3.32Å; V231-W235 WeakPolarHBondContact O-CA 3.33Å; V231-W235 WeakPolarHBondContact O-CB 3.47Å; V231-W235 PolarHBondContact O-N 2.74Å; W235-T237 VanDerWaalsContact C-N 3.28Å; W235-T237 HydrophobicContact CB-CG2 4.02Å; W235-T237 PolarHBondContact O-N 2.78Å; W235-A267 HydrophobicContact CB-CB 3.8Å; W235-A267 HydrophobicContact CD2-CB 4.03Å; W235-A267 HydrophobicContact CG-CB 3.58Å; W235-R268 VanDerWaalsContact CD1-O 3.31Å; W235-R268 PolarHBondContact NE1-O 3.34Å
236H96.4Very high97Very high134 Ų13490.9 Ų90.962%0.6244%0.436SS*.  trans60.138.7-177.2-45106.2000112.2H11 T232H11-H236 PolarHBondContact CE1-O 2.9Å; H11-H236 PolarHBondContact ND1-O 3.17Å; T232-H236 WeakPolarHBondContact O-CA 3.41Å; T232-H236 PolarHBondContact O-N 3.04Å; T232-H236 VanDerWaalsContact O-N 3.08Å
237T96.3Very high96.9Very high13 Ų1387.1 Ų87.18%0.0843%0.43CS..PPolyproline II helixtrans-70.1147.617259.60000110.3H11 T232 W235 V251 A267H11-T237 HydrophobicContact CB-CG2 4.18Å; T232-T237 WeakPolarHBondContact CA-OG1 3.21Å; T232-T237 PolarHBondContact N-OG1 3.08Å; W235-T237 VanDerWaalsContact C-N 3.28Å; W235-T237 HydrophobicContact CB-CG2 4.02Å; W235-T237 PolarHBondContact O-N 2.78Å; T237-V251 HydrophobicContact CG2-CG2 4.07Å; T237-A267 HydrophobicContact CG2-CB 3.89Å
238K96.5Very high96.8Very high177 Ų17788.5 Ų88.577%0.7743%0.429SS*.PPolyproline II helixtrans-58.2142.5172.9-164177.3179.2176.70109.9
239K97.3Very high96.7Very high118 Ų11887.7 Ų87.751%0.51342%0.421SS..PPolyproline II helixtrans-71.1146.6169.5-65.6175.8-176.81750108.8T232 L248T232-K239 HydrophobicContact CG2-CG 3.92Å; K239-L248 HydrophobicContact CB-CD1 3.94Å; K239-L248 HydrophobicContact CD-CD1 3.8Å; K239-L248 HydrophobicContact CG-CD1 3.98Å
240L97.5Very high96.7Very high40 Ų4087 Ų8721%0.20942%0.418CS..PPolyproline II helixtrans-74.5164.4172.8-56.4-179.4000110.9T244 L248 K250 A252L240-T244 HydrophobicContact CB-CG2 4.46Å; L240-T244 WeakPolarHBondContact CB-OG1 3.38Å; L240-T244 HydrophobicContact CD1-CG2 4.03Å; L240-L248 HydrophobicContact CB-CB 4.48Å; L240-L248 PolarHBondContact N-O 2.86Å; L240-K250 HydrophobicContact CD1-CD 4.28Å; L240-K250 HydrophobicContact CD1-CG 3.57Å; L240-A252 HydrophobicContact CD1-CB 4.21Å; L240-A252 HydrophobicContact CD2-CB 3.85Å
241P97.8Very high96.6Very high98 Ų9887.2 Ų87.264%0.63641%0.412SS*.PPolyproline II helixtrans-55.4150.1176.9-26.336000112.8K243 T244P241-K243 PolarHBondContact O-N 2.85Å; P241-T244 WeakPolarHBondContact O-CB 3.29Å; P241-T244 PolarHBondContact O-N 3.02Å; P241-T244 VanDerWaalsContact O-N 3.07Å; P241-T244 PolarHBondContact O-OG1 3.45Å
242R97.1Very high96.6Very high207 Ų20790.4 Ų90.478%0.78144%0.44SS*.THydrogen-bonded Turntrans-55-37.1-177.5-173.7178.361.176.7-4.8113T244R242-T244 PolarHBondContact O-N 2.86Å; R242-T244 VanDerWaalsContact O-N 3.13Å
243K96.7Very high96.5Very high188 Ų18893.1 Ų93.182%0.81746%0.458SS*.THydrogen-bonded Turntrans-75.613.1179.7-61.2-173.4176.9-175.70114.4P241 H245P241-K243 PolarHBondContact O-N 2.85Å; K243-H245 PolarHBondContact O-N 3.1Å
244T96.2Very high96.5Very high39 Ų3994.9 Ų94.924%0.23946%0.464CS..  trans-75.1116.8177.7-56.20000110.8L240 P241 R242 G247L240-T244 HydrophobicContact CB-CG2 4.46Å; L240-T244 WeakPolarHBondContact CB-OG1 3.38Å; L240-T244 HydrophobicContact CD1-CG2 4.03Å; P241-T244 WeakPolarHBondContact O-CB 3.29Å; P241-T244 PolarHBondContact O-N 3.02Å; P241-T244 VanDerWaalsContact O-N 3.07Å; P241-T244 PolarHBondContact O-OG1 3.45Å; R242-T244 PolarHBondContact O-N 2.86Å; R242-T244 VanDerWaalsContact O-N 3.13Å; T244-G247 WeakPolarHBondContact CG2-O 3.18Å; T244-G247 PolarHBondContact O-N 2.74Å
245H95.2Very high96.3Very high175 Ų17595 Ų9581%0.8148%0.477SS*.THydrogen-bonded Turntrans-54.5-61.6-176.5-176.2-125.6000114.1K243 G247K243-H245 PolarHBondContact O-N 3.1Å; H245-G247 PolarHBondContact O-N 3.41Å
246K94.3Very high96.2Very high172 Ų17297.6 Ų97.675%0.74850%0.502SS*.THydrogen-bonded Turntrans-85.637.6-175.2-58.1-178.3-177.6-177.30113.6K250K246-K250 VanDerWaalsContact CB-NZ 3.32Å; K246-K250 PolarHBondContact O-NZ 2.99Å
247G94.5Very high96.1Very high37 Ų37101.2 Ų101.238%0.38151%0.51SS..  trans87.6145174.500000116.5T244 H245 K250T244-G247 WeakPolarHBondContact CG2-O 3.18Å; T244-G247 PolarHBondContact O-N 2.74Å; H245-G247 PolarHBondContact O-N 3.41Å; G247-K250 WeakPolarHBondContact O-CD 3.46Å; G247-K250 WeakPolarHBondContact O-CE 3.44Å
248L96.6Very high96Very high65 Ų65107.5 Ų107.534%0.3454%0.538SS..SBendtrans-92-13.6-170.666.292.8000115.5K239 L240 K250K239-L248 HydrophobicContact CB-CD1 3.94Å; K239-L248 HydrophobicContact CD-CD1 3.8Å; K239-L248 HydrophobicContact CG-CD1 3.98Å; L240-L248 HydrophobicContact CB-CB 4.48Å; L240-L248 PolarHBondContact N-O 2.86Å; L248-K250 PolarHBondContact O-N 2.83Å
249R96.8Very high96Very high138 Ų138103.3 Ų103.352%0.52153%0.529SS..SBendtrans-99.639.2-171.9-56.9-172.672.3107.72.4113.4V231V231-R249 WeakPolarHBondContact CG2-O 3.22Å
250K96.9Very high95.9Very high73 Ų73102.4 Ų102.432%0.31754%0.544SS..SBendtrans-124.7171.4-17866.5-172.4-179.1-173.30111.3L240 K246 G247 L248L240-K250 HydrophobicContact CD1-CD 4.28Å; L240-K250 HydrophobicContact CD1-CG 3.57Å; K246-K250 VanDerWaalsContact CB-NZ 3.32Å; K246-K250 PolarHBondContact O-NZ 2.99Å; G247-K250 WeakPolarHBondContact O-CD 3.46Å; G247-K250 WeakPolarHBondContact O-CE 3.44Å; L248-K250 PolarHBondContact O-N 2.83Å
251V96.6Very high95.9Very high42 Ų42110 Ų11026%0.25557%0.57SS.*  trans-89.1130.5165.1179.70000106.6V231 T237 C253 A267V231-V251 HydrophobicContact CB-CG2 4.13Å; V231-V251 HydrophobicContact CG1-CG2 4.23Å; V231-V251 HydrophobicContact CG2-CG2 4.02Å; T237-V251 HydrophobicContact CG2-CG2 4.07Å; V251-C253 WeakPolarHBondContact CG1-O 3.11Å; V251-A267 HydrophobicContact CG2-CB 4.18Å; V251-A267 WeakPolarHBondContact CG2-O 3.21Å
252A96.1Very high95.8Very high78 Ų78108.2 Ų108.265%0.64556%0.557SS**SBendtrans-67.1-54.2-177.300000112.3L240L240-A252 HydrophobicContact CD1-CB 4.21Å; L240-A252 HydrophobicContact CD2-CB 3.85Å
253C95.1Very high95.8Very high73 Ų73100.6 Ų100.649%0.49354%0.538SS..  trans-110.4122.2178176.10000110.2V251 G255V251-C253 WeakPolarHBondContact CG1-O 3.11Å; C253-G255 PolarHBondContact SG-O 2.79Å
254I96.7Very high95.7Very high73 Ų73101.8 Ų101.837%0.37454%0.537SS..SBendtrans-95.91.1-179.362.3174000113.6V262 V266I254-V262 HydrophobicContact CD1-CG2 3.79Å; I254-V262 HydrophobicContact CG1-CG2 4.23Å; I254-V266 HydrophobicContact CB-CG1 4.11Å; I254-V266 HydrophobicContact CG2-CG1 4.38Å; I254-V266 WeakPolarHBondContact O-CG2 3.16Å
255G94.9Very high95.7Very high41 Ų41101.5 Ų101.542%0.42354%0.537SS..  trans162.5157-178.500000110.6C253C253-G255 PolarHBondContact SG-O 2.79Å
256A94.9Very high95.8Very high68 Ų6894.5 Ų94.556%0.56251%0.507SS*.  trans-73.7173.4166.600000110.3
257W94.6Very high96Very high211 Ų21187 Ų8780%0.79948%0.477SS*.SBendtrans-59.2-53174.9-173.1-18.5000110.8P259 A260W257-P259 CarbonylContact O-C 3.53Å; W257-A260 WeakPolarHBondContact O-CA 3.4Å; W257-A260 PolarHBondContact O-N 3.44Å
258H94.7Very high96.1Very high145 Ų14591 Ų9167%0.67148%0.48SS*.SBendtrans-103.2123.6175.4-61.893.5000108.8
259P95Very high96.2Very high88 Ų8889.9 Ų89.957%0.57148%0.48SS*.SBendcis-77.4149.52.933.1-36.3000113.3W257 R261W257-P259 CarbonylContact O-C 3.53Å; P259-R261 HydrophobicContact CB-CG 4.3Å; P259-R261 PolarHBondContact O-N 2.83Å
260A96.3Very high96.2Very high100 Ų10083.7 Ų83.783%0.82646%0.46SS*.SBendtrans-72.539.2-17900000114.3W257W257-A260 WeakPolarHBondContact O-CA 3.4Å; W257-A260 PolarHBondContact O-N 3.44Å
261R96.8Very high96.3Very high199 Ų19982.2 Ų82.275%0.75145%0.454SS*.SBendtrans-151.7144.417862.3-172.3-69.6-155.64.9110.8P259 A263P259-R261 HydrophobicContact CB-CG 4.3Å; P259-R261 PolarHBondContact O-N 2.83Å; R261-A263 PolarHBondContact O-N 3.42Å
262V96.7Very high96.4Very high61 Ų6181.8 Ų81.837%0.3745%0.448SS..  trans-68.9120.4172.4-176.80000109.7I254 V266I254-V262 HydrophobicContact CD1-CG2 3.79Å; I254-V262 HydrophobicContact CG1-CG2 4.23Å; V262-V266 HydrophobicContact CG1-CB 3.83Å; V262-V266 HydrophobicContact CG1-CG1 4.15Å; V262-V266 HydrophobicContact CG1-CG2 3.93Å
263A96.2Very high96.4Very high46 Ų4678.4 Ų78.438%0.3842%0.421SS..  trans-64.1144.1178.200000112R261 S265 V266R261-A263 PolarHBondContact O-N 3.42Å; A263-S265 PolarHBondContact O-N 2.78Å; A263-V266 HydrophobicContact CB-CG2 4.12Å; A263-V266 WeakPolarHBondContact O-CB 3.43Å; A263-V266 WeakPolarHBondContact O-CG2 3.28Å; A263-V266 PolarHBondContact O-N 3.42Å
264R95.6Very high96.6Very high213 Ų21377 Ų7780%0.80441%0.406SS*.THydrogen-bonded Turntrans-55.9-20.6175.371.2179.4-179.198.5-1.8114
265S96.1Very high96.6Very high33 Ų3374.5 Ų74.523%0.23139%0.392CS..THydrogen-bonded Turntrans-79.1-23.2-179.771.30000111.3R10 A263 A267R10-S265 VanDerWaalsContact NH2-C 3.32Å; R10-S265 PolarHBondContact NH2-O 3.27Å; A263-S265 PolarHBondContact O-N 2.78Å; S265-A267 PolarHBondContact O-N 3.18Å
266V96.6Very high96.8Very high29 Ų2974.2 Ų74.218%0.17638%0.38CS..SBendtrans-62.3133.6-175.6178.10000110.6I254 V262 A263 R268I254-V266 HydrophobicContact CB-CG1 4.11Å; I254-V266 HydrophobicContact CG2-CG1 4.38Å; I254-V266 WeakPolarHBondContact O-CG2 3.16Å; V262-V266 HydrophobicContact CG1-CB 3.83Å; V262-V266 HydrophobicContact CG1-CG1 4.15Å; V262-V266 HydrophobicContact CG1-CG2 3.93Å; A263-V266 HydrophobicContact CB-CG2 4.12Å; A263-V266 WeakPolarHBondContact O-CB 3.43Å; A263-V266 WeakPolarHBondContact O-CG2 3.28Å; A263-V266 PolarHBondContact O-N 3.42Å; V266-R268 PolarHBondContact O-N 2.95Å; V266-R268 VanDerWaalsContact O-N 3.11Å
267A97.3Very high96.9Very high14 Ų1473.8 Ų73.812%0.11636%0.364CS..  trans-67.9110.6179.300000110.3V231 W235 T237 V251 S265V231-A267 VanDerWaalsContact CG1-O 3.28Å; V231-A267 WeakPolarHBondContact CG1-O 3.46Å; W235-A267 HydrophobicContact CB-CB 3.8Å; W235-A267 HydrophobicContact CD2-CB 4.03Å; W235-A267 HydrophobicContact CG-CB 3.58Å; T237-A267 HydrophobicContact CG2-CB 3.89Å; V251-A267 HydrophobicContact CG2-CB 4.18Å; V251-A267 WeakPolarHBondContact CG2-O 3.21Å; S265-A267 PolarHBondContact O-N 3.18Å
268R98Very high97.1Very high121 Ų12166.3 Ų66.346%0.45734%0.342SS..  trans-117.5155.6177.1-56.8-60.5-69-86.30.1112.3R234 W235 V266R234-R268 WeakPolarHBondContact CD-O 3.19Å; R234-R268 PolarHBondContact NH1-O 3.42Å; W235-R268 VanDerWaalsContact CD1-O 3.31Å; W235-R268 PolarHBondContact NE1-O 3.34Å; V266-R268 PolarHBondContact O-N 2.95Å; V266-R268 VanDerWaalsContact O-N 3.11Å
269A97.9Very high97.2Very high42 Ų4262 Ų6235%0.34732%0.322SS..  trans-62.5161.717400000110.8F228 K229 V231 R234F228-A269 HydrophobicContact CE1-CB 3.91Å; F228-A269 HydrophobicContact CZ-CB 4.01Å; K229-A269 WeakPolarHBondContact O-CA 3.24Å; V231-A269 HydrophobicContact CG1-CB 4.43Å; V231-A269 VanDerWaalsContact CG1-N 3.25Å; R234-A269 VanDerWaalsContact NH1-C 3.3Å; R234-A269 PolarHBondContact NH1-O 3.01Å
270G98.2Very high97.3Very high8 Ų862.5 Ų62.58%0.08232%0.319CS..EExtended strand (participates in β ladder)trans151.8-164178.700000113.2K229 K272K229-G270 PolarHBondContact N-O 3.07Å; K229-G270 PolarHBondContact O-N 2.9Å; G270-K272 PolarHBondContact O-N 3.23Å
271Q98.2Very high97.2Very high41 Ų4160.8 Ų60.819%0.19230%0.296CS..EExtended strand (participates in β ladder)trans-53.8130.5-179.9178.364.928.300112.3R21 R234 G273 F275R21-Q271 HydrophobicContact CG-CG 3.9Å; R234-Q271 PolarHBondContact NE-O 2.83Å; Q271-G273 PolarHBondContact NE2-O 2.86Å; Q271-F275 HydrophobicContact CG-CE1 3.95Å; Q271-F275 WeakPolarHBondContact O-CZ 3.39Å
272K98.1Very high97.3Very high33 Ų3353 Ų5314%0.14327%0.267CS..EExtended strand (participates in β ladder)trans-118.8128.5167.5-174.2178.3-178.6173.70110K226 G227 K229 S233 G270K226-K272 WeakPolarHBondContact CA-O 3.36Å; K226-K272 HydrophobicContact CB-CB 4.24Å; K226-K272 HydrophobicContact CB-CG 4.28Å; K226-K272 WeakPolarHBondContact CB-O 3.05Å; K226-K272 HydrophobicContact CD-CD 4Å; K226-K272 HydrophobicContact CD-CG 4.23Å; K226-K272 PolarHBondContact N-O 3.24Å; G227-K272 PolarHBondContact O-N 3.03Å; K229-K272 HydrophobicContact CB-CB 3.86Å; K229-K272 HydrophobicContact CB-CD 4.26Å; K229-K272 HydrophobicContact CG-CB 3.73Å; K229-K272 HydrophobicContact CG-CD 4.01Å; K229-K272 HydrophobicContact CG-CG 4.46Å; S233-K272 VanDerWaalsContact O-CE 3.29Å; S233-K272 WeakPolarHBondContact O-CE 3.47Å; S233-K272 PolarHBondContact O-NZ 3.07Å; S233-K272 PolarHBondContact OG-NZ 3.12Å; G270-K272 PolarHBondContact O-N 3.23Å
273G97.4Very high97.3Very high7 Ų750.4 Ų50.47%0.07225%0.251CS..EExtended strand (participates in β ladder)trans76.9-178.317900000113.3K224 Q271 F275K224-G273 VanDerWaalsContact O-CA 3.23Å; K224-G273 WeakPolarHBondContact O-CA 3.42Å; Q271-G273 PolarHBondContact NE2-O 2.86Å; G273-F275 VanDerWaalsContact N-CE2 3.28Å; G273-F275 VanDerWaalsContact N-CZ 3.25Å; G273-F275 WeakPolarHBondContact O-CD1 3.19Å; G273-F275 VanDerWaalsContact O-CE1 3.29Å; G273-F275 WeakPolarHBondContact O-CE1 3.28Å
274Y98Very high97.4Very high45 Ų4548.2 Ų48.218%0.17623%0.233CC..  trans60.934.7-165.9-150.9-96.3000112.6R21 C22 V222 T223 K224R21-Y274 HydrophobicContact CB-CD1 3.88Å; R21-Y274 HydrophobicContact CG-CD1 4.02Å; R21-Y274 HydrophobicContact CG-CG 4.46Å; C22-Y274 HydrophobicContact CB-CD1 4.5Å; C22-Y274 PolarHBondContact N-O 3.02Å; C22-Y274 WeakPolarHBondContact O-CE1 3.21Å; V222-Y274 HydrophobicContact CG1-CD1 4.13Å; V222-Y274 HydrophobicContact CG1-CD2 3.84Å; V222-Y274 HydrophobicContact CG1-CE1 4.39Å; V222-Y274 HydrophobicContact CG1-CE2 4.12Å; V222-Y274 HydrophobicContact CG1-CG 3.84Å; T223-Y274 VanDerWaalsContact O-CA 3.27Å; T223-Y274 WeakPolarHBondContact O-CA 3.15Å; T223-Y274 PolarHBondContact O-N 3.28Å; T223-Y274 VanDerWaalsContact O-N 3.12Å; T223-Y274 PolarHBondContact OG1-N 2.86Å; T223-Y274 VanDerWaalsContact OG1-N 3.16Å; K224-Y274 PolarHBondContact O-N 3.04Å
275F98Very high97.5Very high20 Ų2038.1 Ų38.19%0.08820%0.195CC..  trans-99.1147.4178.6-51.1-37.8000110.7K19 K20 V222 T223 Q271 G273 R277K19-F275 HydrophobicContact CB-CE1 4.15Å; K19-F275 HydrophobicContact CB-CE2 4.46Å; K19-F275 HydrophobicContact CB-CZ 3.8Å; K19-F275 HydrophobicContact CG-CE2 4.38Å; K19-F275 HydrophobicContact CG-CZ 4.2Å; K20-F275 VanDerWaalsContact O-CD1 3.23Å; K20-F275 WeakPolarHBondContact O-CD1 3.16Å; V222-F275 CarbonylContact C-O 3.08Å; V222-F275 VanDerWaalsContact CA-O 3.26Å; V222-F275 WeakPolarHBondContact CA-O 3.24Å; T223-F275 PolarHBondContact N-O 2.68Å; T223-F275 PolarHBondContact OG1-N 2.86Å; Q271-F275 HydrophobicContact CG-CE1 3.95Å; Q271-F275 WeakPolarHBondContact O-CZ 3.39Å; G273-F275 VanDerWaalsContact N-CE2 3.28Å; G273-F275 VanDerWaalsContact N-CZ 3.25Å; G273-F275 WeakPolarHBondContact O-CD1 3.19Å; G273-F275 VanDerWaalsContact O-CE1 3.29Å; G273-F275 WeakPolarHBondContact O-CE1 3.28Å; F275-R277 VanDerWaalsContact CD2-NH2 3.32Å
276H98Very high97.6Very high35 Ų3538.5 Ų38.516%0.16219%0.192CC..EExtended strand (participates in β ladder)trans-73.1128.5168.5178.1-93.5000109.8C22 K28 I220 G221C22-H276 HydrophobicContact CB-CB 4.42Å; K28-H276 PolarHBondContact N-NE2 3.3Å; K28-H276 PolarHBondContact O-CE1 2.83Å; K28-H276 PolarHBondContact O-NE2 3.14Å; I220-H276 WeakPolarHBondContact CG2-NE2 3.4Å; G221-H276 WeakPolarHBondContact O-CA 3.03Å
277R97.5Very high97.6Very high58 Ų5838.5 Ų38.522%0.21919%0.191CC..EExtended strand (participates in β ladder)trans-139148.6177.9-65.1-64.3178.8-103.14.4109.8I220 G221 T223 F275I220-R277 WeakPolarHBondContact CA-O 3.35Å; G221-R277 PolarHBondContact N-O 2.76Å; G221-R277 PolarHBondContact O-N 2.8Å; T223-R277 HydrophobicContact CG2-CB 4.2Å; T223-R277 HydrophobicContact CG2-CG 3.53Å; F275-R277 VanDerWaalsContact CD2-NH2 3.32Å
278T97.7Very high97.5Very high55 Ų5538 Ų3834%0.33719%0.188SC..EExtended strand (participates in β ladder)trans-117.4113.9169.1-61.60000106.4D218 V219 I220 L280D218-T278 HydrophobicContact CB-CG2 4.3Å; V219-T278 WeakPolarHBondContact O-CA 3.27Å; I220-T278 HydrophobicContact CD1-CG2 4.43Å; I220-T278 HydrophobicContact CG1-CG2 3.86Å; T278-L280 HydrophobicContact CG2-CD2 3.63Å; T278-L280 HydrophobicContact CG2-CG 4.4Å
279E97.4Very high97.4Very high54 Ų5436.4 Ų36.425%0.25219%0.186SC..EExtended strand (participates in β ladder)trans-91.9116.5168.4-70.8178.7-147.400107.3D218 V219 K282 M354D218-E279 WeakPolarHBondContact CA-O 3.45Å; V219-E279 PolarHBondContact N-O 3.5Å; V219-E279 PolarHBondContact O-N 3.21Å; E279-K282 WeakPolarHBondContact OE2-CE 3.18Å; E279-K282 IonicContact OE2-NZ 3.32Å; E279-K282 PolarHBondContact OE2-NZ 3.36Å; E279-M354 HydrophobicContact CB-CE 3.65Å; E279-M354 HydrophobicContact CG-CE 3.42Å; E279-M354 VanDerWaalsContact CG-CE 3.42Å; E279-M354 VanDerWaalsContact OE1-CE 3.31Å; E279-M354 WeakPolarHBondContact OE1-CE 3.45Å; E279-M354 PolarHBondContact OE1-N 2.96Å
280L96.5Very high97.1Very high98 Ų9834.5 Ų34.551%0.51317%0.171SC..EExtended strand (participates in β ladder)trans-82.3160.1-178.7-57.7173.7000110.8D218 T278 K282D218-L280 HydrophobicContact CB-CD2 4.12Å; D218-L280 WeakPolarHBondContact OD1-CA 3.25Å; D218-L280 WeakPolarHBondContact OD1-CD2 3.47Å; D218-L280 WeakPolarHBondContact OD2-CD2 3.44Å; T278-L280 HydrophobicContact CG2-CD2 3.63Å; T278-L280 HydrophobicContact CG2-CG 4.4Å; L280-K282 PolarHBondContact O-N 3.41Å
281N96Very high96.8Very high65 Ų6536.2 Ų36.235%0.34818%0.178SC..EExtended strand (participates in β ladder)trans58.348.3163-65.6-17.4000114.5M216 I217 D218 Q370M216-N281 VanDerWaalsContact CE-C 3.47Å; M216-N281 HydrophobicContact CE-CB 3.56Å; M216-N281 WeakPolarHBondContact CE-O 3.5Å; I217-N281 PolarHBondContact O-N 3.21Å; D218-N281 PolarHBondContact OD1-N 3.19Å; D218-N281 VanDerWaalsContact OD1-N 3.11Å; N281-Q370 PolarHBondContact ND2-OE1 3.34Å; N281-Q370 WeakPolarHBondContact OD1-CG 3.42Å; N281-Q370 PolarHBondContact OD1-NE2 3.14Å; N281-Q370 PolarHBondContact OD1-OE1 3.04Å
282K97.6Very high96.2Very high35 Ų3539.6 Ų39.615%0.15219%0.194CC..EExtended strand (participates in β ladder)trans-90122.3168.3-61.3-66.6177.8159.90108.9I217 V219 E279 L280 C352I217-K282 HydrophobicContact CG1-CB 4.35Å; I217-K282 VanDerWaalsContact CG1-O 3.28Å; I217-K282 WeakPolarHBondContact CG1-O 3.47Å; I217-K282 PolarHBondContact N-O 3.37Å; I217-K282 PolarHBondContact O-N 2.76Å; V219-K282 HydrophobicContact CB-CG 4.4Å; V219-K282 HydrophobicContact CG2-CB 3.91Å; V219-K282 HydrophobicContact CG2-CG 3.71Å; E279-K282 WeakPolarHBondContact OE2-CE 3.18Å; E279-K282 IonicContact OE2-NZ 3.32Å; E279-K282 PolarHBondContact OE2-NZ 3.36Å; L280-K282 PolarHBondContact O-N 3.41Å; K282-C352 PolarHBondContact NZ-O 3.43Å
283K97.8Very high95.7Very high6 Ų639.3 Ų39.33%0.02620%0.197CC..EExtended strand (participates in β ladder)trans-77.4135.8177.3-166.7142.9-179.3139.30110.8D214 M216 Y285 I349 K350 S375 E377 I379D214-K283 WeakPolarHBondContact O-CE 3.24Å; D214-K283 PolarHBondContact O-NZ 2.79Å; M216-K283 HydrophobicContact SD-CB 3.56Å; M216-K283 VanDerWaalsContact SD-CB 3.56Å; M216-K283 HydrophobicContact SD-CD 3.83Å; M216-K283 HydrophobicContact SD-CG 3.92Å; K283-Y285 HydrophobicContact CB-CD1 4.23Å; K283-Y285 HydrophobicContact CB-CE1 3.89Å; K283-Y285 HydrophobicContact CD-CE1 4.3Å; K283-Y285 HydrophobicContact CG-CD1 3.98Å; K283-Y285 HydrophobicContact CG-CE1 3.83Å; K283-I349 WeakPolarHBondContact O-CA 3.27Å; K283-K350 HydrophobicContact CB-CB 4.24Å; K283-K350 PolarHBondContact O-N 3.29Å; K283-S375 PolarHBondContact NZ-O 3.44Å; K283-E377 WeakPolarHBondContact CE-O 3.11Å; K283-E377 PolarHBondContact NZ-O 3.31Å; K283-I379 HydrophobicContact CD-CD1 4.14Å; K283-I379 HydrophobicContact CD-CG1 4.25Å; K283-I379 HydrophobicContact CG-CG1 4.45Å
284I98.2Very high95.3Very high0 Ų039.7 Ų39.70%020%0.197CC..EExtended strand (participates in β ladder)trans-80.7127.5167-62.7177.8000107.9F211 D214 E215 I217 I287 V347 I349F211-I284 HydrophobicContact CB-CD1 3.69Å; F211-I284 HydrophobicContact CG-CD1 4.15Å; D214-I284 VanDerWaalsContact CA-O 3.29Å; D214-I284 WeakPolarHBondContact CA-O 3.47Å; D214-I284 PolarHBondContact N-O 3.01Å; E215-I284 PolarHBondContact O-N 2.8Å; I217-I284 HydrophobicContact CD1-CD1 4.07Å; I217-I284 HydrophobicContact CD1-CG1 3.94Å; I217-I284 HydrophobicContact CG1-CD1 4.35Å; I217-I284 HydrophobicContact CG1-CG1 4.04Å; I217-I284 HydrophobicContact CG2-CD1 3.67Å; I217-I284 HydrophobicContact CG2-CG1 4.14Å; I284-I287 HydrophobicContact CD1-CD1 4.49Å; I284-I287 HydrophobicContact CG2-CD1 4.29Å; I284-I287 HydrophobicContact CG2-CG1 3.68Å; I284-V347 HydrophobicContact CB-CG1 4.41Å; I284-V347 HydrophobicContact CD1-CG1 4Å; I284-V347 HydrophobicContact CG1-CG1 3.8Å; I284-V347 HydrophobicContact CG2-CG1 3.92Å; I284-I349 HydrophobicContact CG1-CG2 4.5Å
285Y97.9Very high94.7Very high1 Ų141.2 Ų41.20%0.00421%0.208CC..EExtended strand (participates in β ladder)trans-99.9-33178-76.3-2.5000113I56 E74 V76 Q213 K283 M348 K350 I379I56-Y285 HydrophobicContact CD1-CD2 3.46Å; I56-Y285 VanDerWaalsContact CD1-CD2 3.46Å; I56-Y285 HydrophobicContact CD1-CE2 3.58Å; I56-Y285 HydrophobicContact CG1-CD2 4.37Å; I56-Y285 HydrophobicContact CG1-CE2 4.48Å; E74-Y285 VanDerWaalsContact OE2-CE2 3.3Å; E74-Y285 WeakPolarHBondContact OE2-CE2 3.46Å; E74-Y285 VanDerWaalsContact OE2-CZ 3.25Å; E74-Y285 PolarHBondContact OE2-OH 3.4Å; V76-Y285 HydrophobicContact CG1-CD2 3.66Å; V76-Y285 HydrophobicContact CG1-CE2 4.14Å; Q213-Y285 PolarHBondContact NE2-O 3.23Å; K283-Y285 HydrophobicContact CB-CD1 4.23Å; K283-Y285 HydrophobicContact CB-CE1 3.89Å; K283-Y285 HydrophobicContact CD-CE1 4.3Å; K283-Y285 HydrophobicContact CG-CD1 3.98Å; K283-Y285 HydrophobicContact CG-CE1 3.83Å; Y285-M348 PolarHBondContact N-O 2.9Å; Y285-K350 HydrophobicContact CD1-CB 4.47Å; Y285-K350 HydrophobicContact CE1-CB 3.95Å; Y285-K350 HydrophobicContact CE1-CD 4.44Å; Y285-K350 HydrophobicContact CE1-CG 4.33Å; Y285-K350 HydrophobicContact CE2-CB 3.96Å; Y285-K350 HydrophobicContact CE2-CG 3.97Å; Y285-K350 VanDerWaalsContact OH-CD 3.27Å; Y285-K350 WeakPolarHBondContact OH-CD 3.44Å; Y285-K350 WeakPolarHBondContact OH-CG 3.26Å; Y285-K350 PolarHBondContact OH-NZ 2.87Å; Y285-I379 HydrophobicContact CD1-CB 4.19Å; Y285-I379 HydrophobicContact CD1-CD1 4.05Å; Y285-I379 HydrophobicContact CD1-CG1 3.66Å; Y285-I379 HydrophobicContact CD1-CG2 3.71Å; Y285-I379 HydrophobicContact CD2-CG2 4.43Å; Y285-I379 HydrophobicContact CE1-CD1 3.6Å; Y285-I379 HydrophobicContact CE1-CG1 3.75Å; Y285-I379 HydrophobicContact CE1-CG2 4.11Å; Y285-I379 HydrophobicContact CG-CG2 3.84Å
286K97.5Very high94.2Very high41 Ų4146.5 Ų46.518%0.17823%0.233CC..EExtended strand (participates in β ladder)trans-153.5139.7175.1-165.7166.2-169.91740109.1N318 S320 M348 L381 I384K286-N318 WeakPolarHBondContact CE-O 3.31Å; K286-N318 PolarHBondContact NZ-O 3.44Å; K286-S320 PolarHBondContact NZ-O 3.16Å; K286-M348 HydrophobicContact CB-CB 4.21Å; K286-M348 HydrophobicContact CB-SD 4.46Å; K286-M348 PolarHBondContact O-N 3.26Å; K286-L381 HydrophobicContact CB-CD1 3.94Å; K286-L381 HydrophobicContact CD-CD1 4.16Å; K286-I384 HydrophobicContact CD-CD1 4.02Å
287I97.4Very high93.6Very high30 Ų3047.6 Ų47.615%0.15424%0.242CC..EExtended strand (participates in β ladder)trans-107.6108.6161.9-58.1-178.6000105.2V207 F211 I284 Y346V207-I287 HydrophobicContact CG1-CG2 3.79Å; F211-I287 HydrophobicContact CB-CD1 4.21Å; F211-I287 WeakPolarHBondContact O-CD1 3.46Å; I284-I287 HydrophobicContact CD1-CD1 4.49Å; I284-I287 HydrophobicContact CG2-CD1 4.29Å; I284-I287 HydrophobicContact CG2-CG1 3.68Å; I287-Y346 WeakPolarHBondContact CA-O 3.23Å
288G95.5Very high93Very high4 Ų445.3 Ų45.34%0.04124%0.235CC..EExtended strand (participates in β ladder)trans-102142-177.100000111.4D345 Y346G288-D345 CarbonylContact O-C 3.53Å; G288-D345 VanDerWaalsContact O-CA 3.23Å; G288-D345 WeakPolarHBondContact O-CA 3.4Å; G288-Y346 VanDerWaalsContact CA-CE1 3.49Å; G288-Y346 PolarHBondContact N-O 3.29Å; G288-Y346 PolarHBondContact O-N 2.85Å
289M94.5Very high92.3Very high86 Ų8649 Ų4942%0.42425%0.247SC..PPolyproline II helixtrans-70.3147.6176.9-62.1179.968.800111.5A293 Q294 V297 N318M289-A293 HydrophobicContact CB-CB 4.4Å; M289-A293 HydrophobicContact CE-CB 3.81Å; M289-Q294 HydrophobicContact CB-CG 4.11Å; M289-Q294 PolarHBondContact O-NE2 3.45Å; M289-V297 HydrophobicContact CE-CG2 3.54Å; M289-V297 HydrophobicContact SD-CG2 4.38Å; M289-N318 PolarHBondContact O-ND2 3.37Å
290G92.4Very high91.7Very high3 Ų348.8 Ų48.83%0.03126%0.255CS..PPolyproline II helixtrans-63.4166.3173.100000112.9A293 Q294 R343 N344 D345G290-A293 PolarHBondContact O-N 3.22Å; G290-Q294 WeakPolarHBondContact O-CB 3.23Å; G290-Q294 VanDerWaalsContact O-CG 3.29Å; G290-Q294 WeakPolarHBondContact O-CG 3.18Å; G290-Q294 PolarHBondContact O-N 2.75Å; G290-Q294 PolarHBondContact O-NE2 2.92Å; G290-R343 CarbonylContact C-O 3.46Å; G290-R343 WeakPolarHBondContact CA-O 3.31Å; G290-N344 WeakPolarHBondContact CA-O 3.39Å; G290-D345 PolarHBondContact N-OD1 2.67Å
291L91Very high91Very high43 Ų4348.2 Ų48.223%0.22525%0.249CC..Hα-helixtrans-63.9-41.7-179.3-64.7177000111.9Q294 L295 N329 R343L291-Q294 PolarHBondContact O-N 3Å; L291-L295 VanDerWaalsContact O-CG 3.31Å; L291-L295 WeakPolarHBondContact O-CG 3.4Å; L291-L295 PolarHBondContact O-N 2.84Å; L291-L295 VanDerWaalsContact O-N 3.09Å; L291-N329 HydrophobicContact CD2-CB 4.28Å; L291-R343 HydrophobicContact CD1-CB 4.41Å; L291-R343 HydrophobicContact CD1-CG 4.22Å; L291-R343 PolarHBondContact N-O 3.35Å
292Q86.5Confident90.1Very high113 Ų11347.3 Ų47.353%0.52825%0.251SS..Hα-helixtrans-66.2-48.4177.7-73.4179.1-39.700111.3Q294 L295 E296Q292-Q294 VanDerWaalsContact C-N 3.28Å; Q292-Q294 PolarHBondContact O-N 2.91Å; Q292-L295 WeakPolarHBondContact O-CB 3.44Å; Q292-L295 PolarHBondContact O-N 3.42Å; Q292-E296 WeakPolarHBondContact O-CG 3.06Å; Q292-E296 PolarHBondContact O-N 2.6Å
293A87.9Confident89.1Confident26 Ų2650.3 Ų50.322%0.21528%0.276CS..Hα-helixtrans-59.9-37.5176.700000112.3M289 G290 E296 V297M289-A293 HydrophobicContact CB-CB 4.4Å; M289-A293 HydrophobicContact CE-CB 3.81Å; G290-A293 PolarHBondContact O-N 3.22Å; A293-E296 PolarHBondContact O-N 3.26Å; A293-V297 WeakPolarHBondContact O-CG2 3.41Å; A293-V297 PolarHBondContact O-N 3.46Å
294Q87.8Confident87.9Confident15 Ų1558.3 Ų58.37%0.0731%0.311CS..Hα-helixtrans-63.5-41.5173.2-81.8171.66700113.1M289 G290 L291 Q292 E296 V297 A298 P315 N318 N329M289-Q294 HydrophobicContact CB-CG 4.11Å; M289-Q294 PolarHBondContact O-NE2 3.45Å; G290-Q294 WeakPolarHBondContact O-CB 3.23Å; G290-Q294 VanDerWaalsContact O-CG 3.29Å; G290-Q294 WeakPolarHBondContact O-CG 3.18Å; G290-Q294 PolarHBondContact O-N 2.75Å; G290-Q294 PolarHBondContact O-NE2 2.92Å; L291-Q294 PolarHBondContact O-N 3Å; Q292-Q294 VanDerWaalsContact C-N 3.28Å; Q292-Q294 PolarHBondContact O-N 2.91Å; Q294-E296 VanDerWaalsContact C-N 3.33Å; Q294-V297 PolarHBondContact O-N 3.01Å; Q294-A298 VanDerWaalsContact O-CB 3.28Å; Q294-A298 WeakPolarHBondContact O-CB 3.45Å; Q294-A298 PolarHBondContact O-N 3.23Å; Q294-P315 HydrophobicContact CB-CB 3.96Å; Q294-N318 PolarHBondContact NE2-ND2 3.26Å; Q294-N318 VanDerWaalsContact OE1-N 3.12Å; Q294-N329 PolarHBondContact OE1-OD1 2.82Å; Q294-N329 VanDerWaalsContact OE1-OD1 3.13Å
295L86.2Confident86.4Confident78 Ų7863.6 Ų63.641%0.40834%0.339SS..Hα-helixtrans-66.7-38177.7-71.2167.6000111.1L291 Q292 A298 K299 P315L291-L295 VanDerWaalsContact O-CG 3.31Å; L291-L295 WeakPolarHBondContact O-CG 3.4Å; L291-L295 PolarHBondContact O-N 2.84Å; L291-L295 VanDerWaalsContact O-N 3.09Å; Q292-L295 WeakPolarHBondContact O-CB 3.44Å; Q292-L295 PolarHBondContact O-N 3.42Å; L295-A298 PolarHBondContact O-N 2.7Å; L295-K299 WeakPolarHBondContact O-CB 3.49Å; L295-K299 VanDerWaalsContact O-CG 3.24Å; L295-K299 WeakPolarHBondContact O-CG 3.31Å; L295-K299 PolarHBondContact O-N 2.66Å; L295-P315 HydrophobicContact CD2-CG 4.07Å
296E86.3Confident84.7Confident131 Ų13169.8 Ų69.861%0.61237%0.372SS*.Hα-helixtrans-63.9-45.4174.8-71.7169-171.500111.7Q292 A293 Q294 K299 A300Q292-E296 WeakPolarHBondContact O-CG 3.06Å; Q292-E296 PolarHBondContact O-N 2.6Å; A293-E296 PolarHBondContact O-N 3.26Å; Q294-E296 VanDerWaalsContact C-N 3.33Å; E296-K299 PolarHBondContact O-N 3.31Å; E296-A300 WeakPolarHBondContact O-CB 3.28Å; E296-A300 PolarHBondContact O-N 2.84Å
297V86.4Confident82.9Confident58 Ų5876.8 Ų76.835%0.35240%0.403SS..Hα-helixtrans-62.2-45.6174171.90000111.2M289 A293 Q294 K299 A300 E301M289-V297 HydrophobicContact CE-CG2 3.54Å; M289-V297 HydrophobicContact SD-CG2 4.38Å; A293-V297 WeakPolarHBondContact O-CG2 3.41Å; A293-V297 PolarHBondContact O-N 3.46Å; Q294-V297 PolarHBondContact O-N 3.01Å; V297-K299 VanDerWaalsContact C-N 3.29Å; V297-K299 PolarHBondContact O-N 2.97Å; V297-A300 PolarHBondContact O-N 2.81Å; V297-A300 VanDerWaalsContact O-N 3.13Å; V297-E301 HydrophobicContact CG1-CG 4.28Å; V297-E301 WeakPolarHBondContact O-CG 3.35Å; V297-E301 PolarHBondContact O-N 2.93Å
298A84.1Confident81Confident9 Ų981 Ų817%0.07443%0.426CS..Hα-helixtrans-62.8-36.4179.600000112.3Q294 L295 A302 P313 P315Q294-A298 VanDerWaalsContact O-CB 3.28Å; Q294-A298 WeakPolarHBondContact O-CB 3.45Å; Q294-A298 PolarHBondContact O-N 3.23Å; L295-A298 PolarHBondContact O-N 2.7Å; A298-A302 VanDerWaalsContact O-CB 3.3Å; A298-A302 WeakPolarHBondContact O-CB 3.02Å; A298-A302 PolarHBondContact O-N 2.92Å; A298-P313 HydrophobicContact CB-CB 4.06Å; A298-P315 HydrophobicContact CB-CB 4.25Å
299K84.4Confident79.1Confident132 Ų13289.3 Ų89.357%0.57446%0.461SS*.Hα-helixtrans-65.5-42.6172.4-76172.8178.6-167.10112.1L295 E296 V297 A302 S303 P313L295-K299 WeakPolarHBondContact O-CB 3.49Å; L295-K299 VanDerWaalsContact O-CG 3.24Å; L295-K299 WeakPolarHBondContact O-CG 3.31Å; L295-K299 PolarHBondContact O-N 2.66Å; E296-K299 PolarHBondContact O-N 3.31Å; V297-K299 VanDerWaalsContact C-N 3.29Å; V297-K299 PolarHBondContact O-N 2.97Å; K299-A302 PolarHBondContact O-N 3.2Å; K299-S303 PolarHBondContact O-N 3.03Å; K299-S303 PolarHBondContact O-OG 3.04Å; K299-P313 HydrophobicContact CB-CG 4.45Å; K299-P313 HydrophobicContact CG-CB 4.47Å; K299-P313 HydrophobicContact CG-CG 3.58Å
300A84.4Confident77.3Confident51 Ų5192.4 Ų92.442%0.42148%0.479SS..Hα-helixtrans-69.5-34.2179.100000112.8E296 V297 S303E296-A300 WeakPolarHBondContact O-CB 3.28Å; E296-A300 PolarHBondContact O-N 2.84Å; V297-A300 PolarHBondContact O-N 2.81Å; V297-A300 VanDerWaalsContact O-N 3.13Å; A300-S303 WeakPolarHBondContact CA-OG 3.17Å; A300-S303 PolarHBondContact O-OG 2.87Å
301E81.9Confident75.9Confident85 Ų8594.9 Ų94.940%0.39750%0.499SS..Hα-helixtrans-66.4-48.8170.8-71.9-177.716400110.3V297 S303 K304 K316V297-E301 HydrophobicContact CG1-CG 4.28Å; V297-E301 WeakPolarHBondContact O-CG 3.35Å; V297-E301 PolarHBondContact O-N 2.93Å; E301-S303 VanDerWaalsContact C-N 3.27Å; E301-S303 PolarHBondContact O-N 3.14Å; E301-K304 WeakPolarHBondContact O-CB 3.49Å; E301-K304 PolarHBondContact O-N 3.21Å; E301-K316 IonicContact OE1-NZ 3.73Å; E301-K316 IonicContact OE2-NZ 3.55Å
302A77.2Confident74.6Confident46 Ų4698.6 Ų98.638%0.3852%0.523SS..Hα-helixtrans-62.3-30.6178.200000113.6A298 K299 K304 D305 P313A298-A302 VanDerWaalsContact O-CB 3.3Å; A298-A302 WeakPolarHBondContact O-CB 3.02Å; A298-A302 PolarHBondContact O-N 2.92Å; K299-A302 PolarHBondContact O-N 3.2Å; A302-K304 PolarHBondContact O-N 3.21Å; A302-D305 PolarHBondContact O-N 3.44Å; A302-P313 HydrophobicContact CB-CB 4.1Å
303S75.2Confident73.6Confident98 Ų9895 Ų9569%0.68551%0.51SS*.THydrogen-bonded Turntrans-70.6-15.4175.658.10000114.4K299 A300 E301K299-S303 PolarHBondContact O-N 3.03Å; K299-S303 PolarHBondContact O-OG 3.04Å; A300-S303 WeakPolarHBondContact CA-OG 3.17Å; A300-S303 PolarHBondContact O-OG 2.87Å; E301-S303 VanDerWaalsContact C-N 3.27Å; E301-S303 PolarHBondContact O-N 3.14Å
304K74.1Confident72.7Confident175 Ų175102.7 Ų102.776%0.76154%0.538SS*.THydrogen-bonded Turntrans-86.8-29.5176.7-68.7177.6179.8-176.70112.3E301 A302E301-K304 WeakPolarHBondContact O-CB 3.49Å; E301-K304 PolarHBondContact O-N 3.21Å; A302-K304 PolarHBondContact O-N 3.21Å
305D66.8Low72.1Confident111 Ų111103.7 Ų103.759%0.59455%0.546SS*.SBendtrans-90106.4176.9-63-31.9000107.7A302 K307A302-D305 PolarHBondContact O-N 3.44Å; D305-K307 PolarHBondContact O-N 2.78Å
306D60.6Low71.6Confident130 Ų130107.1 Ų107.170%0.69556%0.558SS**  trans-67.513.2-179.5-1475.2000113.3K309D306-K309 WeakPolarHBondContact OD1-CE 3.48Å; D306-K309 IonicContact OD1-NZ 3.31Å; D306-K309 PolarHBondContact OD1-NZ 2.84Å
307K59.6Low71.6Confident188 Ų188101.4 Ų101.482%0.81753%0.534SS*.SBendtrans-95.1114179.2-70-173.9179.2-179.40109.8D305D305-K307 PolarHBondContact O-N 2.78Å
308D57.1Low71.9Confident118 Ų11899.2 Ų99.263%0.63152%0.52SS*.  trans68.173.1167.7-144-0.6000114.8N310 A311D308-N310 PolarHBondContact O-N 2.77Å; D308-A311 HydrophobicContact CB-CB 4.11Å; D308-A311 WeakPolarHBondContact O-CB 3.48Å; D308-A311 PolarHBondContact O-N 2.78Å
309K56Low72.4Confident179 Ų17998.8 Ų98.878%0.77852%0.517SS*.THydrogen-bonded Turntrans-56-15.7177.9-68.3177.1-178.9168.10114D306D306-K309 WeakPolarHBondContact OD1-CE 3.48Å; D306-K309 IonicContact OD1-NZ 3.31Å; D306-K309 PolarHBondContact OD1-NZ 2.84Å
310N58Low72.8Confident151 Ų15193.4 Ų93.481%0.80750%0.496SS*.THydrogen-bonded Turntrans-97.2-6.6177.9-74.9-16.4000114.1D308 V312D308-N310 PolarHBondContact O-N 2.77Å; N310-V312 PolarHBondContact O-N 2.81Å
311A61.7Low73.2Confident55 Ų5591.9 Ų91.946%0.45548%0.481SS..SBendtrans-71.9119.4178.300000110.8D308 P313D308-A311 HydrophobicContact CB-CB 4.11Å; D308-A311 WeakPolarHBondContact O-CB 3.48Å; D308-A311 PolarHBondContact O-N 2.78Å; A311-P313 VanDerWaalsContact O-CD 3.28Å; A311-P313 WeakPolarHBondContact O-CD 3.47Å; A311-P313 VanDerWaalsContact O-N 3.16Å
312V64.3Low73.6Confident121 Ų12196.6 Ų96.673%0.73350%0.503SS*.PPolyproline II helixtrans-62.8117.5176.1179.60000109.1N310 K314N310-V312 PolarHBondContact O-N 2.81Å; V312-K314 PolarHBondContact O-N 2.82Å; V312-K314 VanDerWaalsContact O-N 3.1Å
313P65Low74.2Confident37 Ų3799.9 Ų99.924%0.2451%0.509CS..PPolyproline II helixtrans-63.5117.7-174.619.5-28000110.3A298 K299 A302 A311A298-P313 HydrophobicContact CB-CB 4.06Å; K299-P313 HydrophobicContact CB-CG 4.45Å; K299-P313 HydrophobicContact CG-CB 4.47Å; K299-P313 HydrophobicContact CG-CG 3.58Å; A302-P313 HydrophobicContact CB-CB 4.1Å; A311-P313 VanDerWaalsContact O-CD 3.28Å; A311-P313 WeakPolarHBondContact O-CD 3.47Å; A311-P313 VanDerWaalsContact O-N 3.16Å
314K68.7Low74.8Confident189 Ų18996.9 Ų96.982%0.82249%0.486SS*.  trans-92.1115.4178.9-70.8178.8-175168.20109.1V312V312-K314 PolarHBondContact O-N 2.82Å; V312-K314 VanDerWaalsContact O-N 3.1Å
315P76.3Confident75.5Confident35 Ų3597.2 Ų97.223%0.22750%0.495CS..  trans-66.9142.6178.327.7-33.4000110.5Q294 L295 A298 G317Q294-P315 HydrophobicContact CB-CB 3.96Å; L295-P315 HydrophobicContact CD2-CG 4.07Å; A298-P315 HydrophobicContact CB-CB 4.25Å; P315-G317 PolarHBondContact O-N 2.79Å
316K76.2Confident76.4Confident151 Ų15195.6 Ų95.666%0.65749%0.489SS*.  trans-58.9-15177.8-67.6174.6-179.5158.60113.9E301 S320 A327E301-K316 IonicContact OE1-NZ 3.73Å; E301-K316 IonicContact OE2-NZ 3.55Å; K316-S320 WeakPolarHBondContact O-CB 3.41Å; K316-S320 PolarHBondContact O-OG 2.89Å; K316-A327 WeakPolarHBondContact O-CA 3.42Å; K316-A327 VanDerWaalsContact O-CB 3.27Å; K316-A327 WeakPolarHBondContact O-CB 3.49Å
317G86.4Confident77.8Confident11 Ų1192.2 Ų92.211%0.11348%0.479CS..  trans82.5124.9-179.900000111.8P315 A319 S320 K328P315-G317 PolarHBondContact O-N 2.79Å; G317-A319 PolarHBondContact O-N 2.96Å; G317-S320 PolarHBondContact O-N 2.88Å; G317-S320 PolarHBondContact O-OG 2.81Å; G317-K328 CarbonylContact C-O 3.27Å; G317-K328 VanDerWaalsContact C-O 3.27Å; G317-K328 VanDerWaalsContact CA-O 3.31Å; G317-K328 WeakPolarHBondContact CA-O 3.3Å
318N92.7Very high79.4Confident11 Ų1183.8 Ų83.86%0.05944%0.442CS..THydrogen-bonded Turntrans-67.4-15.8-176.556.317.8000115.1K286 M289 Q294 N329 I330 Y346K286-N318 WeakPolarHBondContact CE-O 3.31Å; K286-N318 PolarHBondContact NZ-O 3.44Å; M289-N318 PolarHBondContact O-ND2 3.37Å; Q294-N318 PolarHBondContact NE2-ND2 3.26Å; Q294-N318 VanDerWaalsContact OE1-N 3.12Å; N318-N329 PolarHBondContact N-OD1 3.5Å; N318-N329 WeakPolarHBondContact OD1-CA 3.49Å; N318-N329 PolarHBondContact OD1-OD1 2.58Å; N318-I330 PolarHBondContact OD1-N 3.12Å; N318-Y346 HydrophobicContact CB-CE1 3.9Å; N318-Y346 WeakPolarHBondContact ND2-CE1 3.25Å; N318-Y346 PolarHBondContact O-OH 3.29Å
319A94Very high81.2Confident0 Ų080.8 Ų80.80%043%0.426CS..THydrogen-bonded Turntrans-104.61.3178.800000114G317 K328 N329 I330 I384 T386G317-A319 PolarHBondContact O-N 2.96Å; A319-K328 WeakPolarHBondContact CA-O 3.39Å; A319-K328 HydrophobicContact CB-CG 4.37Å; A319-K328 PolarHBondContact N-O 3.11Å; A319-N329 VanDerWaalsContact CB-C 3.45Å; A319-I330 VanDerWaalsContact CB-CA 3.5Å; A319-I330 HydrophobicContact CB-CB 4Å; A319-I330 HydrophobicContact CB-CD1 4.02Å; A319-I330 VanDerWaalsContact CB-N 3.3Å; A319-I384 HydrophobicContact CB-CB 4.43Å; A319-I384 HydrophobicContact CB-CD1 4.32Å; A319-I384 HydrophobicContact CB-CG2 4.17Å; A319-I384 WeakPolarHBondContact O-CD1 3.37Å; A319-T386 HydrophobicContact CB-CG2 4.2Å
320S92.5Very high83.1Confident19 Ų1972.3 Ų72.313%0.13339%0.39CS..  trans-69.3146.2169.7-41.90000110K286 K316 G317 A327 K328K286-S320 PolarHBondContact NZ-O 3.16Å; K316-S320 WeakPolarHBondContact O-CB 3.41Å; K316-S320 PolarHBondContact O-OG 2.89Å; G317-S320 PolarHBondContact O-N 2.88Å; G317-S320 PolarHBondContact O-OG 2.81Å; S320-A327 WeakPolarHBondContact OG-CA 3.21Å; S320-K328 PolarHBondContact N-O 3.32Å; S320-K328 PolarHBondContact OG-N 3.3Å; S320-K328 PolarHBondContact OG-O 2.85Å
321T92.6Very high85Confident20 Ų2066.5 Ų66.512%0.12336%0.359CS..  trans-109.1174.1168.865.40000109.6F323 D324 L381 K382 I384T321-F323 PolarHBondContact O-N 2.77Å; T321-F323 PolarHBondContact OG1-N 2.89Å; T321-D324 PolarHBondContact N-OD2 3.14Å; T321-D324 VanDerWaalsContact N-OD2 3.14Å; T321-D324 PolarHBondContact O-N 3.43Å; T321-D324 PolarHBondContact OG1-N 2.69Å; T321-D324 PolarHBondContact OG1-OD2 2.98Å; T321-L381 WeakPolarHBondContact CB-O 3.37Å; T321-L381 HydrophobicContact CG2-CB 4.01Å; T321-L381 WeakPolarHBondContact CG2-O 3.32Å; T321-K382 WeakPolarHBondContact CB-O 3.23Å; T321-K382 PolarHBondContact OG1-O 2.81Å; T321-I384 HydrophobicContact CG2-CD1 4.42Å; T321-I384 HydrophobicContact CG2-CG1 4.28Å
322E89.7Confident86.6Confident184 Ų18464 Ų6486%0.8634%0.339SS*.THydrogen-bonded Turntrans-62.8-19.3174.4-67.4169.5-175.200113
323F90.7Very high88.1Confident114 Ų11460 Ų6050%0.531%0.313SS..THydrogen-bonded Turntrans-96.9-12.2-178.3-51.6-89.5000112.8T321 V380 K382T321-F323 PolarHBondContact O-N 2.77Å; T321-F323 PolarHBondContact OG1-N 2.89Å; F323-V380 HydrophobicContact CE2-CG1 4.32Å; F323-K382 HydrophobicContact CD2-CB 4.15Å; F323-K382 HydrophobicContact CD2-CG 3.97Å; F323-K382 HydrophobicContact CE2-CB 4.42Å; F323-K382 HydrophobicContact CE2-CG 3.76Å; F323-K382 HydrophobicContact CZ-CG 4.17Å
324D88.6Confident89.5Confident36 Ų3661.8 Ų61.819%0.19334%0.338CS..  trans-82.2122.1179.3-80.5-52000110.1T321 T326 K328T321-D324 PolarHBondContact N-OD2 3.14Å; T321-D324 VanDerWaalsContact N-OD2 3.14Å; T321-D324 PolarHBondContact O-N 3.43Å; T321-D324 PolarHBondContact OG1-N 2.69Å; T321-D324 PolarHBondContact OG1-OD2 2.98Å; D324-T326 VanDerWaalsContact C-N 3.31Å; D324-T326 PolarHBondContact O-N 3.49Å; D324-K328 VanDerWaalsContact CG-CE 3.48Å; D324-K328 IonicContact OD1-NZ 2.71Å; D324-K328 PolarHBondContact OD1-NZ 3.47Å; D324-K328 WeakPolarHBondContact OD2-CE 3.46Å; D324-K328 IonicContact OD2-NZ 2.93Å; D324-K328 PolarHBondContact OD2-NZ 3.42Å
325L87.7Confident90.8Very high182 Ų18253.1 Ų53.195%0.95330%0.301SS*.SBendtrans-71.4-26.5174.7-61.1175.3000113.1
326T86.6Confident91.8Very high77 Ų7751.6 Ų51.647%0.47229%0.291SS..SBendtrans-111.4129.8-173.8-51.30000111.2D324 K328 T397D324-T326 VanDerWaalsContact C-N 3.31Å; D324-T326 PolarHBondContact O-N 3.49Å; T326-K328 PolarHBondContact O-N 3.42Å; T326-T397 HydrophobicContact CG2-CG2 3.89Å
327A89.7Confident92.8Very high59 Ų5944.6 Ų44.649%0.48826%0.261SS..  trans-61.5124.1171.800000111.2K316 S320K316-A327 WeakPolarHBondContact O-CA 3.42Å; K316-A327 VanDerWaalsContact O-CB 3.27Å; K316-A327 WeakPolarHBondContact O-CB 3.49Å; S320-A327 WeakPolarHBondContact OG-CA 3.21Å
328K93Very high93.2Very high11 Ų1151 Ų515%0.04829%0.288CS..  trans-140.1149.217864.8-169.9176.9-166.40112.4G317 A319 S320 D324 T326 I384 T386 T397G317-K328 CarbonylContact C-O 3.27Å; G317-K328 VanDerWaalsContact C-O 3.27Å; G317-K328 VanDerWaalsContact CA-O 3.31Å; G317-K328 WeakPolarHBondContact CA-O 3.3Å; A319-K328 WeakPolarHBondContact CA-O 3.39Å; A319-K328 HydrophobicContact CB-CG 4.37Å; A319-K328 PolarHBondContact N-O 3.11Å; S320-K328 PolarHBondContact N-O 3.32Å; S320-K328 PolarHBondContact OG-N 3.3Å; S320-K328 PolarHBondContact OG-O 2.85Å; D324-K328 VanDerWaalsContact CG-CE 3.48Å; D324-K328 IonicContact OD1-NZ 2.71Å; D324-K328 PolarHBondContact OD1-NZ 3.47Å; D324-K328 WeakPolarHBondContact OD2-CE 3.46Å; D324-K328 IonicContact OD2-NZ 2.93Å; D324-K328 PolarHBondContact OD2-NZ 3.42Å; T326-K328 PolarHBondContact O-N 3.42Å; K328-I384 VanDerWaalsContact CE-O 3.31Å; K328-I384 WeakPolarHBondContact CE-O 3.19Å; K328-I384 PolarHBondContact NZ-O 2.88Å; K328-I384 VanDerWaalsContact NZ-O 3.11Å; K328-T386 HydrophobicContact CD-CG2 4.01Å; K328-T386 HydrophobicContact CG-CG2 4.21Å; K328-T397 HydrophobicContact CB-CG2 4.13Å
329N94.5Very high93.4Very high54 Ų5451.2 Ų51.229%0.28929%0.288SS..  trans-98.5155.7176.9-76.3-51.3000111.1L291 Q294 N318 A319 T331 T386L291-N329 HydrophobicContact CD2-CB 4.28Å; Q294-N329 PolarHBondContact OE1-OD1 2.82Å; Q294-N329 VanDerWaalsContact OE1-OD1 3.13Å; N318-N329 PolarHBondContact N-OD1 3.5Å; N318-N329 WeakPolarHBondContact OD1-CA 3.49Å; N318-N329 PolarHBondContact OD1-OD1 2.58Å; A319-N329 VanDerWaalsContact CB-C 3.45Å; N329-T331 PolarHBondContact O-N 3.35Å; N329-T386 VanDerWaalsContact O-CG2 3.26Å; N329-T386 WeakPolarHBondContact O-CG2 3.45Å
330I96.6Very high93.5Very high2 Ų252.8 Ų52.81%0.0130%0.304CS..SBendtrans-63.1-18.1-176.8-165.157.6000113.9I78 N318 A319 P332 F336 V342 Y346 M348 I384I78-I330 HydrophobicContact CD1-CD1 3.8Å; I78-I330 HydrophobicContact CD1-CG1 3.96Å; I78-I330 HydrophobicContact CG1-CD1 4.18Å; I78-I330 HydrophobicContact CG1-CG1 3.98Å; I78-I330 HydrophobicContact CG2-CG1 3.95Å; N318-I330 PolarHBondContact OD1-N 3.12Å; A319-I330 VanDerWaalsContact CB-CA 3.5Å; A319-I330 HydrophobicContact CB-CB 4Å; A319-I330 HydrophobicContact CB-CD1 4.02Å; A319-I330 VanDerWaalsContact CB-N 3.3Å; I330-P332 WeakPolarHBondContact O-CD 3.49Å; I330-F336 WeakPolarHBondContact O-CE2 3.42Å; I330-F336 WeakPolarHBondContact O-CZ 3.32Å; I330-V342 HydrophobicContact CG2-CB 3.92Å; I330-V342 HydrophobicContact CG2-CG1 3.94Å; I330-V342 HydrophobicContact CG2-CG2 4.44Å; I330-Y346 HydrophobicContact CB-CD1 4.32Å; I330-Y346 HydrophobicContact CB-CE1 3.75Å; I330-Y346 HydrophobicContact CB-CE2 4.3Å; I330-Y346 HydrophobicContact CD1-CE2 4.14Å; I330-Y346 HydrophobicContact CG1-CD2 4.21Å; I330-Y346 HydrophobicContact CG1-CE1 4.15Å; I330-Y346 HydrophobicContact CG1-CE2 3.78Å; I330-Y346 HydrophobicContact CG2-CD1 3.71Å; I330-Y346 HydrophobicContact CG2-CE1 3.59Å; I330-Y346 HydrophobicContact CG2-CG 4.25Å; I330-M348 HydrophobicContact CD1-CE 3.78Å; I330-I384 HydrophobicContact CD1-CG2 3.63Å
331T96.8Very high93.6Very high28 Ų2856.9 Ų56.917%0.17232%0.321CS..SBendtrans-72.7115.9175.9-63.90000109.1N329 E341 V342N329-T331 PolarHBondContact O-N 3.35Å; T331-E341 HydrophobicContact CG2-CB 4.07Å; T331-E341 HydrophobicContact CG2-CG 4.07Å; T331-V342 PolarHBondContact OG1-N 3.03Å; T331-V342 PolarHBondContact OG1-O 3.06Å
332P96.8Very high93.8Very high4 Ų455.9 Ų55.93%0.02632%0.315CS..  trans-67.4162.6-179.728.4-34.6000111.3I330 G334 G335 F336 T386 S387 K389I330-P332 WeakPolarHBondContact O-CD 3.49Å; P332-G334 PolarHBondContact O-N 3.36Å; P332-G335 WeakPolarHBondContact O-CA 3.39Å; P332-G335 PolarHBondContact O-N 3.03Å; P332-F336 HydrophobicContact CG-CD1 3.87Å; P332-F336 HydrophobicContact CG-CD2 4.3Å; P332-F336 HydrophobicContact CG-CE1 3.96Å; P332-F336 HydrophobicContact CG-CE2 4.36Å; P332-F336 HydrophobicContact CG-CG 4.06Å; P332-F336 HydrophobicContact CG-CZ 4.2Å; P332-T386 CarbonylContact C-O 3.52Å; P332-T386 WeakPolarHBondContact CA-O 3.23Å; P332-T386 WeakPolarHBondContact CB-O 3.38Å; P332-S387 VanDerWaalsContact CB-O 3.27Å; P332-S387 WeakPolarHBondContact CB-O 3.39Å; P332-K389 HydrophobicContact CB-CG 4.18Å; P332-K389 HydrophobicContact CG-CG 4.11Å
333M95.3Very high94Very high37 Ų3751 Ų5118%0.18229%0.289CS..THydrogen-bonded Turntrans-53.7123.5177.4-68.3-162.3-51.400112.3G335 T386 S388 F395M333-G335 VanDerWaalsContact C-N 3.34Å; M333-T386 PolarHBondContact N-O 3.23Å; M333-S388 WeakPolarHBondContact O-CA 3.47Å; M333-S388 VanDerWaalsContact O-CB 3.23Å; M333-S388 WeakPolarHBondContact O-CB 3.49Å; M333-S388 PolarHBondContact O-OG 2.87Å; M333-F395 HydrophobicContact CE-CB 3.84Å; M333-F395 HydrophobicContact CE-CD2 4.45Å; M333-F395 WeakPolarHBondContact CE-O 3.44Å; M333-F395 HydrophobicContact SD-CB 4.16Å
334G94.2Very high94.3Very high74 Ų7446.1 Ų46.176%0.76327%0.268SS*.THydrogen-bonded Turntrans84.90.7-17500000114.8P332 F390P332-G334 PolarHBondContact O-N 3.36Å; G334-F390 WeakPolarHBondContact O-CE2 3.5Å
335G96.3Very high94.7Very high6 Ų645.7 Ų45.76%0.06227%0.266CS..  trans86.5167-177.700000113.7P332 M333 F390P332-G335 WeakPolarHBondContact O-CA 3.39Å; P332-G335 PolarHBondContact O-N 3.03Å; M333-G335 VanDerWaalsContact C-N 3.34Å; G335-F390 WeakPolarHBondContact O-CE2 3.49Å
336F97.2Very high95.1Very high3 Ų337 Ų371%0.01322%0.22CC..BIsolated β-bridgetrans-69.1129.5172.1-82.4-72.4000110A51 I78 I330 P332 H338 Y339 G340 V342A51-F336 HydrophobicContact CB-CD2 4.22Å; I78-F336 HydrophobicContact CB-CE2 4.44Å; I78-F336 HydrophobicContact CB-CZ 4.1Å; I78-F336 HydrophobicContact CG1-CE2 4.5Å; I78-F336 HydrophobicContact CG1-CZ 3.79Å; I78-F336 HydrophobicContact CG2-CE2 4.42Å; I330-F336 WeakPolarHBondContact O-CE2 3.42Å; I330-F336 WeakPolarHBondContact O-CZ 3.32Å; P332-F336 HydrophobicContact CG-CD1 3.87Å; P332-F336 HydrophobicContact CG-CD2 4.3Å; P332-F336 HydrophobicContact CG-CE1 3.96Å; P332-F336 HydrophobicContact CG-CE2 4.36Å; P332-F336 HydrophobicContact CG-CG 4.06Å; P332-F336 HydrophobicContact CG-CZ 4.2Å; F336-H338 PolarHBondContact O-N 3.36Å; F336-Y339 HydrophobicContact CB-CD1 4.41Å; F336-Y339 HydrophobicContact CB-CG 4.48Å; F336-Y339 PolarHBondContact O-N 3.21Å; F336-G340 PolarHBondContact N-O 2.84Å; F336-G340 PolarHBondContact O-N 3.31Å; F336-V342 HydrophobicContact CD2-CG2 3.78Å; F336-V342 HydrophobicContact CE2-CG2 3.76Å
337P96.9Very high95.7Very high5 Ų533.3 Ų33.33%0.03220%0.198CC..THydrogen-bonded Turntrans-64.5133.5-171.9-9.515.9000112.1Y339 R357 K389 F390P337-Y339 PolarHBondContact O-N 3.3Å; P337-Y339 VanDerWaalsContact O-N 3.17Å; P337-R357 VanDerWaalsContact CB-NH1 3.33Å; P337-R357 WeakPolarHBondContact O-CD 3.17Å; P337-R357 PolarHBondContact O-NE 3.03Å; P337-R357 PolarHBondContact O-NH1 2.86Å; P337-K389 VanDerWaalsContact CG-C 3.49Å; P337-K389 HydrophobicContact CG-CB 3.77Å; P337-K389 WeakPolarHBondContact CG-O 3.46Å; P337-F390 VanDerWaalsContact CA-CZ 3.44Å; P337-F390 HydrophobicContact CB-CD1 3.87Å; P337-F390 HydrophobicContact CB-CD2 4.06Å; P337-F390 HydrophobicContact CB-CE1 3.68Å; P337-F390 HydrophobicContact CB-CE2 3.87Å; P337-F390 HydrophobicContact CB-CG 4.08Å; P337-F390 HydrophobicContact CB-CZ 3.71Å; P337-F390 HydrophobicContact CG-CD1 4.4Å; P337-F390 HydrophobicContact CG-CD2 3.92Å; P337-F390 HydrophobicContact CG-CE2 4.07Å; P337-F390 HydrophobicContact CG-CG 4.11Å; P337-F390 HydrophobicContact CG-CZ 4.42Å
338H96.1Very high96.1Very high146 Ų14630.5 Ų30.568%0.67618%0.175SC*.THydrogen-bonded Turntrans6010.6-171.5-46.1-64.6000116F336 K358F336-H338 PolarHBondContact O-N 3.36Å; H338-K358 WeakPolarHBondContact O-CD 2.83Å; H338-K358 WeakPolarHBondContact O-CE 3.19Å; H338-K358 PolarHBondContact O-NZ 3.32Å
339Y96.7Very high96.4Very high14 Ų1430 Ų306%0.05517%0.172CC..THydrogen-bonded Turntrans-114.9-56174.5-170-100.2000111.8A51 E80 H173 F336 P337 V342 K358A51-Y339 HydrophobicContact CB-CD1 3.62Å; A51-Y339 HydrophobicContact CB-CD2 4.32Å; A51-Y339 HydrophobicContact CB-CE1 3.45Å; A51-Y339 VanDerWaalsContact CB-CE1 3.45Å; A51-Y339 HydrophobicContact CB-CE2 4.19Å; A51-Y339 HydrophobicContact CB-CG 4.05Å; A51-Y339 WeakPolarHBondContact O-CB 3.38Å; E80-Y339 WeakPolarHBondContact CB-OH 3.41Å; E80-Y339 VanDerWaalsContact OE2-CE1 3.23Å; E80-Y339 WeakPolarHBondContact OE2-CE1 3.3Å; E80-Y339 PolarHBondContact OE2-OH 2.98Å; H173-Y339 AromaticContact CE1-CD2 3.77Å; H173-Y339 AromaticContact CE1-CE2 3.33Å; H173-Y339 WeakPolarHBondContact CE1-CE2 3.32Å; H173-Y339 AromaticContact CE1-CZ 3.63Å; H173-Y339 AromaticContact NE2-CD2 3.99Å; H173-Y339 AromaticContact NE2-CE2 3.2Å; H173-Y339 WeakPolarHBondContact NE2-CE2 3.22Å; H173-Y339 AromaticContact NE2-CZ 3.62Å; F336-Y339 HydrophobicContact CB-CD1 4.41Å; F336-Y339 HydrophobicContact CB-CG 4.48Å; F336-Y339 PolarHBondContact O-N 3.21Å; P337-Y339 PolarHBondContact O-N 3.3Å; P337-Y339 VanDerWaalsContact O-N 3.17Å; Y339-V342 HydrophobicContact CE1-CG2 4.17Å; Y339-K358 HydrophobicContact CD2-CB 4.37Å; Y339-K358 HydrophobicContact CD2-CG 3.55Å; Y339-K358 HydrophobicContact CE2-CG 4.04Å
340G95.4Very high96.5Very high33 Ų3329.7 Ų29.734%0.3417%0.169SC..BIsolated β-bridgetrans108-152.6-169.300000111.5F336F336-G340 PolarHBondContact N-O 2.84Å; F336-G340 PolarHBondContact O-N 3.31Å
341E95.1Very high96.6Very high105 Ų10530.4 Ų30.449%0.49118%0.176SC..  trans-83.9144.3178.8-54.6172.8155.800111.2T331 R343T331-E341 HydrophobicContact CG2-CB 4.07Å; T331-E341 HydrophobicContact CG2-CG 4.07Å; E341-R343 HydrophobicContact CB-CG 4.27Å
342V96.4Very high96.7Very high0 Ų032.4 Ų32.40%019%0.19CC..  trans-86.9114.9166.7176.60000107.4A51 I78 E80 I330 T331 F336 Y339 Y346A51-V342 HydrophobicContact CB-CG2 3.59Å; I78-V342 HydrophobicContact CG2-CG2 4.31Å; E80-V342 HydrophobicContact CB-CG1 4.11Å; E80-V342 HydrophobicContact CG-CG1 3.99Å; I330-V342 HydrophobicContact CG2-CB 3.92Å; I330-V342 HydrophobicContact CG2-CG1 3.94Å; I330-V342 HydrophobicContact CG2-CG2 4.44Å; T331-V342 PolarHBondContact OG1-N 3.03Å; T331-V342 PolarHBondContact OG1-O 3.06Å; F336-V342 HydrophobicContact CD2-CG2 3.78Å; F336-V342 HydrophobicContact CE2-CG2 3.76Å; Y339-V342 HydrophobicContact CE1-CG2 4.17Å; V342-Y346 HydrophobicContact CG1-CD1 4.36Å; V342-Y346 HydrophobicContact CG1-CG 4.46Å
343R94Very high96.7Very high81 Ų8132.5 Ų32.531%0.30619%0.191SC..  trans-109.3-31-173.1-61.4-179.171.4-154.24.5113.1E80 G290 L291 E341E80-R343 PolarHBondContact OE1-N 3.28Å; G290-R343 CarbonylContact C-O 3.46Å; G290-R343 WeakPolarHBondContact CA-O 3.31Å; L291-R343 HydrophobicContact CD1-CB 4.41Å; L291-R343 HydrophobicContact CD1-CG 4.22Å; L291-R343 PolarHBondContact N-O 3.35Å; E341-R343 HydrophobicContact CB-CG 4.27Å
344N95.7Very high96.8Very high11 Ų1131.1 Ų31.16%0.05918%0.184CC..SBendtrans-93.4177.4179-57.5-78.5000110.8E80 P82 L170 G290E80-N344 HydrophobicContact CG-CB 3.9Å; E80-N344 WeakPolarHBondContact OE1-CB 2.95Å; E80-N344 PolarHBondContact OE1-N 2.66Å; E80-N344 PolarHBondContact OE1-ND2 3.16Å; P82-N344 HydrophobicContact CB-CB 4.22Å; L170-N344 WeakPolarHBondContact CB-OD1 3.42Å; L170-N344 PolarHBondContact O-ND2 3.48Å; G290-N344 WeakPolarHBondContact CA-O 3.39Å
345D97.2Very high96.9Very high27 Ų2727.9 Ų27.914%0.14415%0.151CC..  trans-50.6149.1171.4-60.3-9.4000110.4C81 V207 G288 G290C81-D345 CarbonylContact C-O 3.49Å; C81-D345 WeakPolarHBondContact CA-O 3.38Å; C81-D345 PolarHBondContact N-O 2.88Å; V207-D345 HydrophobicContact CG1-CB 4.06Å; G288-D345 CarbonylContact O-C 3.53Å; G288-D345 VanDerWaalsContact O-CA 3.23Å; G288-D345 WeakPolarHBondContact O-CA 3.4Å; G290-D345 PolarHBondContact N-OD1 2.67Å
346Y98Very high97Very high0 Ų029.6 Ų29.60%016%0.161CC..EExtended strand (participates in β ladder)trans-136.3153.517872.6-88000112.1I78 M79 I287 G288 N318 I330 V342 M348I78-Y346 HydrophobicContact CG2-CD2 3.85Å; I78-Y346 HydrophobicContact CG2-CG 4.1Å; M79-Y346 CarbonylContact O-C 3.52Å; M79-Y346 WeakPolarHBondContact O-CA 3.29Å; M79-Y346 WeakPolarHBondContact O-CB 3.47Å; I287-Y346 WeakPolarHBondContact CA-O 3.23Å; G288-Y346 VanDerWaalsContact CA-CE1 3.49Å; G288-Y346 PolarHBondContact N-O 3.29Å; G288-Y346 PolarHBondContact O-N 2.85Å; N318-Y346 HydrophobicContact CB-CE1 3.9Å; N318-Y346 WeakPolarHBondContact ND2-CE1 3.25Å; N318-Y346 PolarHBondContact O-OH 3.29Å; I330-Y346 HydrophobicContact CB-CD1 4.32Å; I330-Y346 HydrophobicContact CB-CE1 3.75Å; I330-Y346 HydrophobicContact CB-CE2 4.3Å; I330-Y346 HydrophobicContact CD1-CE2 4.14Å; I330-Y346 HydrophobicContact CG1-CD2 4.21Å; I330-Y346 HydrophobicContact CG1-CE1 4.15Å; I330-Y346 HydrophobicContact CG1-CE2 3.78Å; I330-Y346 HydrophobicContact CG2-CD1 3.71Å; I330-Y346 HydrophobicContact CG2-CE1 3.59Å; I330-Y346 HydrophobicContact CG2-CG 4.25Å; V342-Y346 HydrophobicContact CG1-CD1 4.36Å; V342-Y346 HydrophobicContact CG1-CG 4.46Å; Y346-M348 HydrophobicContact CD2-CB 4.44Å; Y346-M348 HydrophobicContact CE2-CB 4.15Å; Y346-M348 HydrophobicContact CE2-CE 4.49Å
347V98.2Very high97Very high0 Ų033.8 Ų33.80%018%0.176CC..EExtended strand (participates in β ladder)trans-109.9123.9169.3-177.50000108.3M79 V207 I284 I349 L363M79-V347 HydrophobicContact CE-CB 4.34Å; M79-V347 HydrophobicContact CE-CG1 4.35Å; M79-V347 PolarHBondContact N-O 2.95Å; M79-V347 PolarHBondContact O-N 3.43Å; V207-V347 HydrophobicContact CB-CG2 4.38Å; V207-V347 HydrophobicContact CG1-CG2 4.04Å; V207-V347 HydrophobicContact CG2-CG2 3.49Å; V207-V347 VanDerWaalsContact CG2-CG2 3.49Å; I284-V347 HydrophobicContact CB-CG1 4.41Å; I284-V347 HydrophobicContact CD1-CG1 4Å; I284-V347 HydrophobicContact CG1-CG1 3.8Å; I284-V347 HydrophobicContact CG2-CG1 3.92Å; V347-I349 HydrophobicContact CG1-CG2 3.84Å; V347-L363 HydrophobicContact CG2-CD1 4.3Å
348M98.5Very high97Very high0 Ų038.5 Ų38.50%020%0.196CC..EExtended strand (participates in β ladder)trans-91.9113.5169.3-179.8-173.5-70.300108.7I56 V76 I78 Y285 K286 I330 Y346 L381 I384I56-M348 HydrophobicContact CG2-CE 4.06Å; I56-M348 HydrophobicContact CG2-SD 3.67Å; V76-M348 HydrophobicContact CB-CG 3.65Å; V76-M348 HydrophobicContact CB-SD 4.18Å; V76-M348 HydrophobicContact CG1-CG 3.88Å; V76-M348 HydrophobicContact CG1-SD 4Å; V76-M348 HydrophobicContact CG2-CE 4.31Å; V76-M348 HydrophobicContact CG2-CG 3.87Å; V76-M348 HydrophobicContact CG2-SD 3.98Å; I78-M348 HydrophobicContact CD1-CB 3.88Å; I78-M348 HydrophobicContact CD1-CE 3.76Å; I78-M348 HydrophobicContact CD1-CG 3.72Å; Y285-M348 PolarHBondContact N-O 2.9Å; K286-M348 HydrophobicContact CB-CB 4.21Å; K286-M348 HydrophobicContact CB-SD 4.46Å; K286-M348 PolarHBondContact O-N 3.26Å; I330-M348 HydrophobicContact CD1-CE 3.78Å; Y346-M348 HydrophobicContact CD2-CB 4.44Å; Y346-M348 HydrophobicContact CE2-CB 4.15Å; Y346-M348 HydrophobicContact CE2-CE 4.49Å; M348-L381 HydrophobicContact SD-CD1 4.14Å; M348-I384 HydrophobicContact CE-CD1 3.74Å; M348-I384 HydrophobicContact CE-CG1 4Å; M348-I384 HydrophobicContact CE-CG2 3.87Å
349I98.2Very high97.1Very high0 Ų032.9 Ų32.90%017%0.169CC..EExtended strand (participates in β ladder)trans-104.7145.5176.658.1168.7000111.6V76 T77 M79 I217 V219 K283 I284 V347 G351 C353V76-I349 CarbonylContact C-O 3.42Å; V76-I349 VanDerWaalsContact CA-O 3.27Å; V76-I349 WeakPolarHBondContact CA-O 3.1Å; V76-I349 WeakPolarHBondContact CB-O 3.34Å; T77-I349 PolarHBondContact N-O 3.45Å; T77-I349 WeakPolarHBondContact O-CG1 3.36Å; T77-I349 PolarHBondContact O-N 3.12Å; M79-I349 HydrophobicContact CE-CB 4.26Å; M79-I349 HydrophobicContact CE-CD1 3.64Å; M79-I349 HydrophobicContact CE-CG1 3.85Å; M79-I349 HydrophobicContact CE-CG2 3.42Å; M79-I349 VanDerWaalsContact CE-CG2 3.42Å; M79-I349 HydrophobicContact SD-CD1 3.96Å; I217-I349 HydrophobicContact CD1-CG2 3.98Å; V219-I349 HydrophobicContact CG2-CD1 4.12Å; K283-I349 WeakPolarHBondContact O-CA 3.27Å; I284-I349 HydrophobicContact CG1-CG2 4.5Å; V347-I349 HydrophobicContact CG1-CG2 3.84Å; I349-G351 PolarHBondContact O-N 3.16Å; I349-C353 HydrophobicContact CD1-CB 3.72Å
350K98.1Very high97.1Very high48 Ų4832.4 Ų32.421%0.20917%0.168CC..EExtended strand (participates in β ladder)trans-59128.9171.6-172.7-170.4-175.51080111.1E74 K283 Y285E74-K350 IonicContact OE1-NZ 2.86Å; E74-K350 PolarHBondContact OE1-NZ 3.41Å; E74-K350 WeakPolarHBondContact OE2-CE 3.49Å; E74-K350 IonicContact OE2-NZ 2.7Å; E74-K350 PolarHBondContact OE2-NZ 3.01Å; K283-K350 HydrophobicContact CB-CB 4.24Å; K283-K350 PolarHBondContact O-N 3.29Å; Y285-K350 HydrophobicContact CD1-CB 4.47Å; Y285-K350 HydrophobicContact CE1-CB 3.95Å; Y285-K350 HydrophobicContact CE1-CD 4.44Å; Y285-K350 HydrophobicContact CE1-CG 4.33Å; Y285-K350 HydrophobicContact CE2-CB 3.96Å; Y285-K350 HydrophobicContact CE2-CG 3.97Å; Y285-K350 VanDerWaalsContact OH-CD 3.27Å; Y285-K350 WeakPolarHBondContact OH-CD 3.44Å; Y285-K350 WeakPolarHBondContact OH-CG 3.26Å; Y285-K350 PolarHBondContact OH-NZ 2.87Å
351G98Very high97.2Very high16 Ų1630.9 Ų30.917%0.16515%0.152CC..SBendtrans73.4-157.1172.500000114.1P75 V76 T77 I349P75-G351 WeakPolarHBondContact O-CA 3.49Å; P75-G351 PolarHBondContact O-N 2.92Å; V76-G351 CarbonylContact C-O 3.43Å; T77-G351 PolarHBondContact N-O 3.23Å; T77-G351 VanDerWaalsContact N-O 3.16Å; T77-G351 PolarHBondContact OG1-O 3.35Å; I349-G351 PolarHBondContact O-N 3.16Å
352C98.1Very high97.4Very high70 Ų7025.9 Ų25.947%0.47313%0.128SC..  trans-87159.6178.167.90000111.9M53 T77 K282M53-C352 HydrophobicContact CE-CB 3.92Å; M53-C352 HydrophobicContact SD-CB 4.25Å; T77-C352 WeakPolarHBondContact OG1-CA 3.32Å; K282-C352 PolarHBondContact NZ-O 3.43Å
353C97.4Very high97.5Very high7 Ų725.9 Ų25.95%0.04713%0.128CC..  trans-129.4167.416173.50000111.9K50 V219 I349K50-C353 PolarHBondContact NZ-O 3.05Å; V219-C353 HydrophobicContact CG1-CB 3.89Å; I349-C353 HydrophobicContact CD1-CB 3.72Å
354M97.5Very high97.7Very high8 Ų822.4 Ų22.44%0.03912%0.115CC..SBendtrans-66146.9-17773.2-57.7-51.800112.8V219 T223 E279 I361V219-M354 HydrophobicContact CB-CE 4.01Å; V219-M354 HydrophobicContact CG1-CE 3.78Å; V219-M354 HydrophobicContact CG1-SD 3.76Å; V219-M354 WeakPolarHBondContact O-CE 3.15Å; T223-M354 HydrophobicContact CG2-CB 4.11Å; E279-M354 HydrophobicContact CB-CE 3.65Å; E279-M354 HydrophobicContact CG-CE 3.42Å; E279-M354 VanDerWaalsContact CG-CE 3.42Å; E279-M354 VanDerWaalsContact OE1-CE 3.31Å; E279-M354 WeakPolarHBondContact OE1-CE 3.45Å; E279-M354 PolarHBondContact OE1-N 2.96Å; M354-I361 HydrophobicContact CG-CD1 4.42Å; M354-I361 VanDerWaalsContact O-CD1 3.28Å; M354-I361 WeakPolarHBondContact O-CD1 3.29Å; M354-I361 HydrophobicContact SD-CD1 3.91Å; M354-I361 HydrophobicContact SD-CG2 4.36Å
355G97.1Very high97.8Very high5 Ų524 Ų245%0.05212%0.122CC..SBendtrans93.8164174.400000115.7K50 V222 K224K50-G355 PolarHBondContact NZ-O 3Å; K50-G355 VanDerWaalsContact NZ-O 3.11Å; V222-G355 WeakPolarHBondContact O-CA 3.48Å; K224-G355 WeakPolarHBondContact CE-O 3.49Å
356P97.6Very high97.8Very high42 Ų4223.6 Ų23.627%0.27312%0.12SC..  trans-77.3172.5172.337.3-33.9000110.8K224 R359K224-P356 HydrophobicContact CG-CB 4.15Å; K224-P356 HydrophobicContact CG-CG 4.46Å; P356-R359 VanDerWaalsContact CD-NE 3.31Å; P356-R359 HydrophobicContact CG-CB 4.38Å; P356-R359 VanDerWaalsContact O-CB 3.27Å; P356-R359 WeakPolarHBondContact O-CB 3.45Å; P356-R359 PolarHBondContact O-N 3.48Å
357R96.6Very high97.6Very high91 Ų9126.5 Ų26.534%0.34314%0.136SC..THydrogen-bonded Turntrans-56.2153168.2-55.7176.3-176.9148.6-4.4109.8K50 A51 P337 R359K50-R357 CarbonylContact O-C 3.54Å; K50-R357 VanDerWaalsContact O-CA 3.26Å; K50-R357 WeakPolarHBondContact O-CA 3.43Å; A51-R357 WeakPolarHBondContact O-CG 3.13Å; P337-R357 VanDerWaalsContact CB-NH1 3.33Å; P337-R357 WeakPolarHBondContact O-CD 3.17Å; P337-R357 PolarHBondContact O-NE 3.03Å; P337-R357 PolarHBondContact O-NH1 2.86Å; R357-R359 PolarHBondContact O-N 3.23Å
358K97.1Very high97.2Very high104 Ų10432.4 Ų32.445%0.45217%0.166SC..THydrogen-bonded Turntrans67.9-2.6-173-57.3175.3159.3149.10116.1K50 H338 Y339K50-K358 PolarHBondContact O-N 3.27Å; H338-K358 WeakPolarHBondContact O-CD 2.83Å; H338-K358 WeakPolarHBondContact O-CE 3.19Å; H338-K358 PolarHBondContact O-NZ 3.32Å; Y339-K358 HydrophobicContact CD2-CB 4.37Å; Y339-K358 HydrophobicContact CD2-CG 3.55Å; Y339-K358 HydrophobicContact CE2-CG 4.04Å
359R97.5Very high96.7Very high29 Ų2935.7 Ų35.711%0.10919%0.187CC..  trans-74.6134.4178.6-178.3158.1-63.3163.51.7110.8Y49 K50 V222 T223 P356 R357 I361Y49-R359 WeakPolarHBondContact CA-O 3.29Å; K50-R359 PolarHBondContact N-O 2.56Å; V222-R359 VanDerWaalsContact C-NH1 3.3Å; V222-R359 WeakPolarHBondContact O-CD 3.35Å; V222-R359 PolarHBondContact O-NH1 3.36Å; T223-R359 PolarHBondContact O-NH1 2.9Å; P356-R359 VanDerWaalsContact CD-NE 3.31Å; P356-R359 HydrophobicContact CG-CB 4.38Å; P356-R359 VanDerWaalsContact O-CB 3.27Å; P356-R359 WeakPolarHBondContact O-CB 3.45Å; P356-R359 PolarHBondContact O-N 3.48Å; R357-R359 PolarHBondContact O-N 3.23Å; R359-I361 HydrophobicContact CB-CD1 4.49Å; R359-I361 HydrophobicContact CG-CD1 4Å
360V97.7Very high96.6Very high4 Ų438 Ų382%0.02420%0.198CC..EExtended strand (participates in β ladder)trans-67.2129.716765.30000110.5R26 M47 G48 Y49 H179R26-V360 HydrophobicContact CB-CG1 3.94Å; M47-V360 HydrophobicContact CB-CG2 4.24Å; M47-V360 HydrophobicContact CG-CG2 4.16Å; M47-V360 HydrophobicContact SD-CG2 4.07Å; G48-V360 CarbonylContact O-C 3.45Å; G48-V360 WeakPolarHBondContact O-CA 3.44Å; Y49-V360 HydrophobicContact CD1-CB 4Å; Y49-V360 HydrophobicContact CD1-CG2 4.49Å; Y49-V360 HydrophobicContact CE1-CB 3.63Å; Y49-V360 HydrophobicContact CE1-CG2 3.94Å; H179-V360 HydrophobicContact CB-CG2 4.43Å
361I98.3Very high96.4Very high0 Ų040 Ų400%021%0.214CC..EExtended strand (participates in β ladder)trans-126.3131.1-178.7-59-60.5000107.6M47 G48 K50 M79 V219 M354 R359 L363M47-I361 WeakPolarHBondContact CA-O 3.34Å; G48-I361 PolarHBondContact N-O 3.4Å; G48-I361 PolarHBondContact O-N 2.91Å; G48-I361 VanDerWaalsContact O-O 3.14Å; K50-I361 HydrophobicContact CB-CG1 4.29Å; M79-I361 HydrophobicContact SD-CB 4.34Å; M79-I361 HydrophobicContact SD-CG2 4.08Å; V219-I361 HydrophobicContact CG1-CG2 3.15Å; M354-I361 HydrophobicContact CG-CD1 4.42Å; M354-I361 VanDerWaalsContact O-CD1 3.28Å; M354-I361 WeakPolarHBondContact O-CD1 3.29Å; M354-I361 HydrophobicContact SD-CD1 3.91Å; M354-I361 HydrophobicContact SD-CG2 4.36Å; R359-I361 HydrophobicContact CB-CD1 4.49Å; R359-I361 HydrophobicContact CG-CD1 4Å; I361-L363 HydrophobicContact CG2-CD2 4.07Å
362T98.5Very high96.2Very high0 Ų046.2 Ų46.20%024%0.236CC..EExtended strand (participates in β ladder)trans-93.6118.5176.1-620000108.4G27 F46 M181 I220G27-T362 PolarHBondContact O-OG1 3.31Å; G27-T362 VanDerWaalsContact O-OG1 3.04Å; F46-T362 CarbonylContact O-C 3.52Å; F46-T362 WeakPolarHBondContact O-CA 3.46Å; M181-T362 HydrophobicContact CE-CG2 3.72Å; M181-T362 HydrophobicContact SD-CG2 4.36Å; I220-T362 WeakPolarHBondContact CA-O 3.35Å; I220-T362 WeakPolarHBondContact CB-O 3.42Å; I220-T362 PolarHBondContact N-O 2.92Å; I220-T362 PolarHBondContact O-N 2.67Å
363L98.2Very high95.9Very high0 Ų048.3 Ų48.30%025%0.249CC..EExtended strand (participates in β ladder)trans-89.6136.3172.5-50.8-179000107.8A45 F46 M79 F211 I217 V219 V347 I361A45-L363 CarbonylContact C-O 3.46Å; A45-L363 WeakPolarHBondContact CA-O 3.47Å; A45-L363 WeakPolarHBondContact CB-O 3.19Å; F46-L363 PolarHBondContact N-O 3.47Å; F46-L363 PolarHBondContact O-N 2.9Å; M79-L363 HydrophobicContact CE-CD1 3.9Å; M79-L363 HydrophobicContact CE-CD2 3.38Å; M79-L363 HydrophobicContact CE-CG 4.26Å; M79-L363 HydrophobicContact SD-CD2 3.75Å; F211-L363 HydrophobicContact CE2-CB 3.58Å; F211-L363 HydrophobicContact CE2-CD1 4.29Å; F211-L363 HydrophobicContact CZ-CB 3.69Å; I217-L363 HydrophobicContact CD1-CB 4.21Å; I217-L363 HydrophobicContact CD1-CD1 4.24Å; I217-L363 HydrophobicContact CD1-CD2 3.94Å; I217-L363 HydrophobicContact CD1-CG 4.34Å; V219-L363 HydrophobicContact CG1-CD2 4.14Å; V219-L363 HydrophobicContact CG2-CD2 4.04Å; V347-L363 HydrophobicContact CG2-CD1 4.3Å; I361-L363 HydrophobicContact CG2-CD2 4.07Å
364R98.2Very high95.7Very high8 Ų855.4 Ų55.43%0.0328%0.275CS..EExtended strand (participates in β ladder)trans-133.9142.1178.7-173.5-166.862.7-166.4-8.2108.1C29 A31 T44 A45 D218 I220 L367C29-R364 WeakPolarHBondContact SG-CD 3.46Å; A31-R364 VanDerWaalsContact O-CD 3.3Å; A31-R364 WeakPolarHBondContact O-CD 3.41Å; A31-R364 PolarHBondContact O-NH1 2.69Å; T44-R364 WeakPolarHBondContact O-CA 3.32Å; A45-R364 HydrophobicContact CB-CB 4.41Å; A45-R364 HydrophobicContact CB-CG 4.44Å; D218-R364 HydrophobicContact CB-CB 4.39Å; D218-R364 PolarHBondContact N-O 3.39Å; D218-R364 PolarHBondContact O-N 3.11Å; D218-R364 IonicContact OD2-CZ 3.28Å; D218-R364 IonicContact OD2-NE 2.8Å; D218-R364 PolarHBondContact OD2-NE 2.67Å; D218-R364 IonicContact OD2-NH2 3.78Å; D218-R364 PolarHBondContact OD2-NH2 3.02Å; I220-R364 HydrophobicContact CD1-CB 4.09Å; R364-L367 VanDerWaalsContact CZ-CG 3.48Å; R364-L367 VanDerWaalsContact NH2-CG 3.31Å
365K97.6Very high95.5Very high45 Ų4555.7 Ų55.720%0.19628%0.278CS..EExtended strand (participates in β ladder)trans-57.5152.3166.5-66.5-165178.2-156.10109.8P33 T44 V210 F211P33-K365 HydrophobicContact CG-CB 3.84Å; T44-K365 PolarHBondContact O-N 2.81Å; V210-K365 WeakPolarHBondContact O-CE 3.41Å; V210-K365 PolarHBondContact O-NZ 3.25Å; F211-K365 HydrophobicContact CD1-CG 4Å; F211-K365 HydrophobicContact CE1-CB 4.4Å; F211-K365 HydrophobicContact CE1-CG 3.58Å
366T97.1Very high95.3Very high19 Ų1963.5 Ų63.512%0.11731%0.306CS..  trans-59.8140.6-178.948.70000111.4M216 I368 Q370M216-T366 HydrophobicContact CB-CG2 3.92Å; M216-T366 WeakPolarHBondContact O-CG2 3.33Å; T366-I368 VanDerWaalsContact C-N 3.27Å; T366-I368 WeakPolarHBondContact CB-O 3.36Å; T366-I368 PolarHBondContact O-N 3.09Å; T366-I368 PolarHBondContact OG1-O 3.34Å; T366-Q370 HydrophobicContact CG2-CG 3.9Å
367L95.2Very high95.1Very high61 Ų6162.2 Ų62.232%0.31930%0.296SS..SBendtrans-63.6-36.1176.6-69.9176.3000113.1A31 F32 D218 R364A31-L367 HydrophobicContact CB-CD2 4.12Å; F32-L367 WeakPolarHBondContact O-CD2 3.37Å; D218-L367 PolarHBondContact OD2-N 2.97Å; R364-L367 VanDerWaalsContact CZ-CG 3.48Å; R364-L367 VanDerWaalsContact NH2-CG 3.31Å
368I88.4Confident95Very high123 Ų12365.9 Ų65.963%0.63132%0.315SS*.SBendtrans-119.4125.9-179.5-58.7170.2000106.3T366 Q370T366-I368 VanDerWaalsContact C-N 3.27Å; T366-I368 WeakPolarHBondContact CB-O 3.36Å; T366-I368 PolarHBondContact O-N 3.09Å; T366-I368 PolarHBondContact OG1-O 3.34Å; I368-Q370 PolarHBondContact O-N 3.37Å; I368-Q370 PolarHBondContact O-NE2 2.95Å
369P89.5Confident94.9Very high69 Ų6961.3 Ų61.345%0.44830%0.295SS..  trans-52.2129.1175.6-26.534.5000111.5V371P369-V371 PolarHBondContact O-N 3.17Å
370Q94.5Very high94.7Very high49 Ų4963.4 Ų63.423%0.22931%0.311CS..  trans-89.3109.3-178.2-62.1-59.3-57.400110M216 N281 T366 I368M216-Q370 HydrophobicContact CB-CB 4.28Å; M216-Q370 HydrophobicContact CB-CG 3.93Å; M216-Q370 HydrophobicContact CG-CB 4.14Å; M216-Q370 HydrophobicContact CG-CG 4.19Å; N281-Q370 PolarHBondContact ND2-OE1 3.34Å; N281-Q370 WeakPolarHBondContact OD1-CG 3.42Å; N281-Q370 PolarHBondContact OD1-NE2 3.14Å; N281-Q370 PolarHBondContact OD1-OE1 3.04Å; T366-Q370 HydrophobicContact CG2-CG 3.9Å; I368-Q370 PolarHBondContact O-N 3.37Å; I368-Q370 PolarHBondContact O-NE2 2.95Å
371V94.1Very high94.6Very high90 Ų9064.1 Ų64.155%0.54531%0.314SS..  trans-102.4-9.1-175.8-59.30000114.2P369 R376P369-V371 PolarHBondContact O-N 3.17Å; V371-R376 PolarHBondContact O-NE 3.41Å
372K93.9Very high94.5Very high146 Ų14665.9 Ų65.964%0.63532%0.322SS*.SBendtrans-62.2142.4-178.9-63.7-172177.1-170.40110.6R374 S375 R376K372-R374 VanDerWaalsContact C-N 3.29Å; K372-R374 PolarHBondContact O-N 2.97Å; K372-S375 WeakPolarHBondContact O-CA 3.48Å; K372-S375 VanDerWaalsContact O-CB 3.28Å; K372-S375 WeakPolarHBondContact O-CB 3.1Å; K372-S375 PolarHBondContact O-N 3.02Å; K372-R376 PolarHBondContact O-N 2.85Å
373P92.3Very high94.4Very high114 Ų11468.3 Ų68.374%0.7433%0.333SS*.Hα-helixtrans-51.3-45.1179.5-30.135.5000113.5S375 R376 E377P373-S375 PolarHBondContact O-N 3.37Å; P373-S375 VanDerWaalsContact O-N 3.14Å; P373-R376 CarbonylContact O-C 3.48Å; P373-R376 PolarHBondContact O-N 2.9Å; P373-E377 PolarHBondContact O-N 2.95Å
374R92.3Very high94.3Very high156 Ų15668.3 Ų68.359%0.58933%0.333SS*.Hα-helixtrans-56.6-31.3174.8-172.3178-177.2176.73.4114K372K372-R374 VanDerWaalsContact C-N 3.29Å; K372-R374 PolarHBondContact O-N 2.97Å
375S93.8Very high94.3Very high14 Ų1468.2 Ų68.210%0.09833%0.333CS..Hα-helixtrans-79-25.4177.6-620000112.5K283 K372 P373K283-S375 PolarHBondContact NZ-O 3.44Å; K372-S375 WeakPolarHBondContact O-CA 3.48Å; K372-S375 VanDerWaalsContact O-CB 3.28Å; K372-S375 WeakPolarHBondContact O-CB 3.1Å; K372-S375 PolarHBondContact O-N 3.02Å; P373-S375 PolarHBondContact O-N 3.37Å; P373-S375 VanDerWaalsContact O-N 3.14Å
376R92.8Very high94.3Very high169 Ų16966.2 Ų66.264%0.63832%0.324SS*.Hα-helixtrans-95.4-10.6178.6-65.3-180175.8170.5-2.1114.2V371 K372 P373 K378V371-R376 PolarHBondContact O-NE 3.41Å; K372-R376 PolarHBondContact O-N 2.85Å; P373-R376 CarbonylContact O-C 3.48Å; P373-R376 PolarHBondContact O-N 2.9Å; R376-K378 PolarHBondContact O-N 2.89Å
377E94Very high94.3Very high15 Ų1565.6 Ų65.67%0.0732%0.321CS..  trans-46120.7177.1-178.2-179.5-169.800112.4R58 R62 K283 P373 I379R58-E377 IonicContact CZ-OE1 3.77Å; R58-E377 IonicContact NH2-OE1 3.11Å; R58-E377 PolarHBondContact NH2-OE1 3.27Å; R62-E377 IonicContact CZ-OE1 3.16Å; R62-E377 IonicContact CZ-OE2 2.72Å; R62-E377 VanDerWaalsContact NE-CD 3.29Å; R62-E377 IonicContact NE-OE1 2.58Å; R62-E377 PolarHBondContact NE-OE1 3.1Å; R62-E377 IonicContact NE-OE2 2.78Å; R62-E377 PolarHBondContact NE-OE2 2.67Å; R62-E377 IonicContact NH2-OE1 3.43Å; R62-E377 PolarHBondContact NH2-OE1 3.08Å; R62-E377 IonicContact NH2-OE2 2.68Å; R62-E377 PolarHBondContact NH2-OE2 3.23Å; K283-E377 WeakPolarHBondContact CE-O 3.11Å; K283-E377 PolarHBondContact NZ-O 3.31Å; P373-E377 PolarHBondContact O-N 2.95Å; E377-I379 HydrophobicContact CG-CD1 4.22Å
378K94.8Very high94.4Very high169 Ų16963.9 Ų63.974%0.73531%0.314SS*.  trans-70.9140.6173.5-67.7-177.2179.8178.60109.9D214 R376D214-K378 VanDerWaalsContact OD2-CA 3.31Å; D214-K378 WeakPolarHBondContact OD2-CA 3.29Å; R376-K378 PolarHBondContact O-N 2.89Å
379I95.1Very high94.8Very high7 Ų760.7 Ų60.74%0.03630%0.295CS..  trans-105.6103.7-175-53.1-63.5000109.9R58 D214 K283 Y285 E377 L381R58-I379 VanDerWaalsContact CZ-CD1 3.43Å; R58-I379 VanDerWaalsContact NH1-CG2 3.35Å; D214-I379 VanDerWaalsContact CG-N 3.32Å; D214-I379 WeakPolarHBondContact OD1-CB 3.42Å; D214-I379 VanDerWaalsContact OD1-CG1 3.22Å; D214-I379 WeakPolarHBondContact OD1-CG1 3.29Å; D214-I379 PolarHBondContact OD1-N 3.17Å; D214-I379 PolarHBondContact OD2-N 3Å; K283-I379 HydrophobicContact CD-CD1 4.14Å; K283-I379 HydrophobicContact CD-CG1 4.25Å; K283-I379 HydrophobicContact CG-CG1 4.45Å; Y285-I379 HydrophobicContact CD1-CB 4.19Å; Y285-I379 HydrophobicContact CD1-CD1 4.05Å; Y285-I379 HydrophobicContact CD1-CG1 3.66Å; Y285-I379 HydrophobicContact CD1-CG2 3.71Å; Y285-I379 HydrophobicContact CD2-CG2 4.43Å; Y285-I379 HydrophobicContact CE1-CD1 3.6Å; Y285-I379 HydrophobicContact CE1-CG1 3.75Å; Y285-I379 HydrophobicContact CE1-CG2 4.11Å; Y285-I379 HydrophobicContact CG-CG2 3.84Å; E377-I379 HydrophobicContact CG-CD1 4.22Å; I379-L381 HydrophobicContact CG2-CD2 3.68Å; I379-L381 HydrophobicContact CG2-CG 4.17Å
380V92.8Very high95Very high74 Ų7463.7 Ų63.745%0.44830%0.301SS..  trans-89.9118.7167.1-174.90000108.7R58 F323R58-V380 WeakPolarHBondContact CB-O 3.34Å; F323-V380 HydrophobicContact CE2-CG1 4.32Å
381L95.7Very high95Very high18 Ų1863.6 Ų63.69%0.09431%0.314CS..EExtended strand (participates in β ladder)trans-94.3125.7176.7-62.3-178.6000109I56 R58 K286 T321 M348 I379 I384I56-L381 HydrophobicContact CB-CD2 4.34Å; I56-L381 HydrophobicContact CD1-CD2 3.27Å; I56-L381 HydrophobicContact CG1-CD2 4.39Å; I56-L381 HydrophobicContact CG2-CD2 4.46Å; R58-L381 HydrophobicContact CB-CD2 4.29Å; K286-L381 HydrophobicContact CB-CD1 3.94Å; K286-L381 HydrophobicContact CD-CD1 4.16Å; T321-L381 WeakPolarHBondContact CB-O 3.37Å; T321-L381 HydrophobicContact CG2-CB 4.01Å; T321-L381 WeakPolarHBondContact CG2-O 3.32Å; M348-L381 HydrophobicContact SD-CD1 4.14Å; I379-L381 HydrophobicContact CG2-CD2 3.68Å; I379-L381 HydrophobicContact CG2-CG 4.17Å; L381-I384 HydrophobicContact CD1-CD1 3.97Å; L381-I384 HydrophobicContact CD1-CG1 4.29Å
382K95.7Very high95.1Very high38 Ų3868.5 Ų68.517%0.16533%0.331CS..EExtended strand (participates in β ladder)trans-91-39.6175-71.5-166.9168.6179.10112.2V57 E59 E71 T321 F323V57-K382 HydrophobicContact CB-CB 4.46Å; V57-K382 HydrophobicContact CG1-CB 4.42Å; V57-K382 PolarHBondContact O-N 3.39Å; E59-K382 WeakPolarHBondContact OE2-CE 3.43Å; E59-K382 IonicContact OE2-NZ 2.8Å; E59-K382 PolarHBondContact OE2-NZ 3.46Å; E71-K382 HydrophobicContact CG-CD 4.08Å; E71-K382 WeakPolarHBondContact OE1-CD 3.32Å; E71-K382 WeakPolarHBondContact OE1-CE 3.29Å; E71-K382 IonicContact OE1-NZ 2.7Å; E71-K382 PolarHBondContact OE1-NZ 3.07Å; T321-K382 WeakPolarHBondContact CB-O 3.23Å; T321-K382 PolarHBondContact OG1-O 2.81Å; F323-K382 HydrophobicContact CD2-CB 4.15Å; F323-K382 HydrophobicContact CD2-CG 3.97Å; F323-K382 HydrophobicContact CE2-CB 4.42Å; F323-K382 HydrophobicContact CE2-CG 3.76Å; F323-K382 HydrophobicContact CZ-CG 4.17Å
383F96.1Very high95.1Very high51 Ų5162.8 Ų62.822%0.22431%0.313CS..EExtended strand (participates in β ladder)trans-145.6140.4-179.2177.3-106.2000111.3I56 V57 D385 Q396I56-F383 CarbonylContact C-O 3.46Å; I56-F383 WeakPolarHBondContact CA-O 3.28Å; I56-F383 WeakPolarHBondContact CB-O 3.32Å; V57-F383 HydrophobicContact CB-CB 3.88Å; V57-F383 HydrophobicContact CG2-CB 3.98Å; V57-F383 HydrophobicContact CG2-CD1 4.09Å; V57-F383 HydrophobicContact CG2-CG 4.49Å; V57-F383 PolarHBondContact N-O 3.08Å; V57-F383 PolarHBondContact O-N 2.98Å; V57-F383 VanDerWaalsContact O-N 3.09Å; F383-D385 HydrophobicContact CD1-CB 4.36Å; F383-D385 HydrophobicContact CE1-CB 3.66Å; F383-D385 HydrophobicContact CZ-CB 4.34Å; F383-Q396 HydrophobicContact CE2-CG 4.13Å; F383-Q396 VanDerWaalsContact CZ-CD 3.44Å; F383-Q396 HydrophobicContact CZ-CG 4.02Å
384I97.4Very high95.2Very high0 Ų067.9 Ų67.90%032%0.318CS..EExtended strand (participates in β ladder)trans-117.8122.4167.8-59.9169.6000108T54 I56 K286 A319 T321 K328 I330 M348 L381 T386T54-I384 HydrophobicContact CG2-CG2 4.38Å; I56-I384 HydrophobicContact CG2-CG1 4.06Å; K286-I384 HydrophobicContact CD-CD1 4.02Å; A319-I384 HydrophobicContact CB-CB 4.43Å; A319-I384 HydrophobicContact CB-CD1 4.32Å; A319-I384 HydrophobicContact CB-CG2 4.17Å; A319-I384 WeakPolarHBondContact O-CD1 3.37Å; T321-I384 HydrophobicContact CG2-CD1 4.42Å; T321-I384 HydrophobicContact CG2-CG1 4.28Å; K328-I384 VanDerWaalsContact CE-O 3.31Å; K328-I384 WeakPolarHBondContact CE-O 3.19Å; K328-I384 PolarHBondContact NZ-O 2.88Å; K328-I384 VanDerWaalsContact NZ-O 3.11Å; I330-I384 HydrophobicContact CD1-CG2 3.63Å; M348-I384 HydrophobicContact CE-CD1 3.74Å; M348-I384 HydrophobicContact CE-CG1 4Å; M348-I384 HydrophobicContact CE-CG2 3.87Å; L381-I384 HydrophobicContact CD1-CD1 3.97Å; L381-I384 HydrophobicContact CD1-CG1 4.29Å; I384-T386 PolarHBondContact O-N 3.4Å
385D97.2Very high95.4Very high5 Ų562 Ų623%0.02730%0.296CS..  trans-78.3122.7-179.5174.648.9000111.3T54 H55 F383 S387 K389 Q396T54-D385 PolarHBondContact OG1-O 2.82Å; T54-D385 PolarHBondContact OG1-OD2 2.98Å; H55-D385 VanDerWaalsContact CE1-CB 3.5Å; H55-D385 WeakPolarHBondContact CE1-CB 3.44Å; H55-D385 IonicContact CE1-OD1 2.75Å; H55-D385 IonicContact CE1-OD2 3.44Å; H55-D385 PolarHBondContact CE1-OD2 2.97Å; H55-D385 IonicContact ND1-OD2 2.82Å; H55-D385 PolarHBondContact ND1-OD2 3.34Å; H55-D385 VanDerWaalsContact ND1-OD2 3.11Å; H55-D385 IonicContact NE2-OD2 3.22Å; H55-D385 WeakPolarHBondContact O-CB 3.46Å; H55-D385 PolarHBondContact O-N 3.19Å; H55-D385 VanDerWaalsContact O-N 3.14Å; F383-D385 HydrophobicContact CD1-CB 4.36Å; F383-D385 HydrophobicContact CE1-CB 3.66Å; F383-D385 HydrophobicContact CZ-CB 4.34Å; D385-S387 WeakPolarHBondContact OD1-CB 3.49Å; D385-S387 PolarHBondContact OD1-N 3.13Å; D385-S387 PolarHBondContact OD1-OG 2.85Å; D385-S387 PolarHBondContact OD2-OG 3.35Å; D385-K389 IonicContact OD1-NZ 2.56Å; D385-K389 WeakPolarHBondContact OD2-CE 3.46Å; D385-K389 IonicContact OD2-NZ 2.88Å; D385-K389 PolarHBondContact OD2-NZ 3.3Å; D385-Q396 PolarHBondContact OD1-NE2 3.48Å; D385-Q396 PolarHBondContact OD1-OE1 3.05Å
386T97Very high95.4Very high3 Ų363 Ų632%0.01830%0.299CS..  trans-120.610-179.359.50000111.8A319 K328 N329 P332 M333 I384 Q396A319-T386 HydrophobicContact CB-CG2 4.2Å; K328-T386 HydrophobicContact CD-CG2 4.01Å; K328-T386 HydrophobicContact CG-CG2 4.21Å; N329-T386 VanDerWaalsContact O-CG2 3.26Å; N329-T386 WeakPolarHBondContact O-CG2 3.45Å; P332-T386 CarbonylContact C-O 3.52Å; P332-T386 WeakPolarHBondContact CA-O 3.23Å; P332-T386 WeakPolarHBondContact CB-O 3.38Å; M333-T386 PolarHBondContact N-O 3.23Å; I384-T386 PolarHBondContact O-N 3.4Å; T386-Q396 PolarHBondContact OG1-O 3Å; T386-Q396 VanDerWaalsContact OG1-O 3.09Å; T386-Q396 PolarHBondContact OG1-OE1 3.37Å; T386-Q396 VanDerWaalsContact OG1-OE1 3.04Å
387S96.9Very high95.4Very high6 Ų655.9 Ų55.94%0.04228%0.275CS..SBendtrans-61.4152.6172.763.10000112.3P332 D385 K389 G393 F395P332-S387 VanDerWaalsContact CB-O 3.27Å; P332-S387 WeakPolarHBondContact CB-O 3.39Å; D385-S387 WeakPolarHBondContact OD1-CB 3.49Å; D385-S387 PolarHBondContact OD1-N 3.13Å; D385-S387 PolarHBondContact OD1-OG 2.85Å; D385-S387 PolarHBondContact OD2-OG 3.35Å; S387-K389 WeakPolarHBondContact O-CE 3.4Å; S387-K389 PolarHBondContact O-N 3.41Å; S387-K389 PolarHBondContact O-NZ 2.98Å; S387-K389 PolarHBondContact OG-NZ 3.42Å; S387-G393 WeakPolarHBondContact CB-O 3.13Å; S387-F395 VanDerWaalsContact CA-O 3.24Å; S387-F395 WeakPolarHBondContact CA-O 3.4Å; S387-F395 WeakPolarHBondContact CB-O 3.35Å
388S97.2Very high95.3Very high25 Ų2563.2 Ų63.218%0.17530%0.302CS..  trans-57.1135.1-176.7-166.80000112.5M333 G393M333-S388 WeakPolarHBondContact O-CA 3.47Å; M333-S388 VanDerWaalsContact O-CB 3.23Å; M333-S388 WeakPolarHBondContact O-CB 3.49Å; M333-S388 PolarHBondContact O-OG 2.87Å; S388-G393 PolarHBondContact O-N 2.82Å
389K96.8Very high95.1Very high57 Ų5758.1 Ų58.125%0.24829%0.292CS..THydrogen-bonded Turntrans-104.66179.3-53.7-57.5166-143.30114.3P332 P337 D385 S387P332-K389 HydrophobicContact CB-CG 4.18Å; P332-K389 HydrophobicContact CG-CG 4.11Å; P337-K389 VanDerWaalsContact CG-C 3.49Å; P337-K389 HydrophobicContact CG-CB 3.77Å; P337-K389 WeakPolarHBondContact CG-O 3.46Å; D385-K389 IonicContact OD1-NZ 2.56Å; D385-K389 WeakPolarHBondContact OD2-CE 3.46Å; D385-K389 IonicContact OD2-NZ 2.88Å; D385-K389 PolarHBondContact OD2-NZ 3.3Å; S387-K389 WeakPolarHBondContact O-CE 3.4Å; S387-K389 PolarHBondContact O-N 3.41Å; S387-K389 PolarHBondContact O-NZ 2.98Å; S387-K389 PolarHBondContact OG-NZ 3.42Å
390F95Very high95.1Very high131 Ų13161.1 Ų61.158%0.57531%0.305SS*.THydrogen-bonded Turntrans-80.7-20.2171.8-81.4-89.2000112.5G334 G335 P337G334-F390 WeakPolarHBondContact O-CE2 3.5Å; G335-F390 WeakPolarHBondContact O-CE2 3.49Å; P337-F390 VanDerWaalsContact CA-CZ 3.44Å; P337-F390 HydrophobicContact CB-CD1 3.87Å; P337-F390 HydrophobicContact CB-CD2 4.06Å; P337-F390 HydrophobicContact CB-CE1 3.68Å; P337-F390 HydrophobicContact CB-CE2 3.87Å; P337-F390 HydrophobicContact CB-CG 4.08Å; P337-F390 HydrophobicContact CB-CZ 3.71Å; P337-F390 HydrophobicContact CG-CD1 4.4Å; P337-F390 HydrophobicContact CG-CD2 3.92Å; P337-F390 HydrophobicContact CG-CE2 4.07Å; P337-F390 HydrophobicContact CG-CG 4.11Å; P337-F390 HydrophobicContact CG-CZ 4.42Å
391G94.7Very high95.2Very high48 Ų4861.7 Ų61.750%0.49530%0.302SS..THydrogen-bonded Turntrans-154.4-145.8173.300000109.7G393G391-G393 PolarHBondContact O-N 2.89Å
392H95.4Very high95Very high193 Ų19366.1 Ų66.189%0.89432%0.322SS*.THydrogen-bonded Turntrans-92.880176.1-57.8-79000110.4R394H392-R394 PolarHBondContact O-N 3.09Å
393G93.5Very high94.9Very high26 Ų2668.2 Ų68.227%0.26835%0.347SS..  trans-67.7127.917800000112.1S387 S388 G391S387-G393 WeakPolarHBondContact CB-O 3.13Å; S388-G393 PolarHBondContact O-N 2.82Å; G391-G393 PolarHBondContact O-N 2.89Å
394R95Very high94.9Very high221 Ų22170.3 Ų70.383%0.83436%0.364SS*.  trans-96-28.1177-63.2-176-177.7-177.4-0.6114.1H392H392-R394 PolarHBondContact O-N 3.09Å
395F95.6Very high94.7Very high32 Ų3275 Ų7514%0.1439%0.386CS..  trans-98.9148.6-177-44.2-78000111.2M333 S387 E400 K401 T404 M405M333-F395 HydrophobicContact CE-CB 3.84Å; M333-F395 HydrophobicContact CE-CD2 4.45Å; M333-F395 WeakPolarHBondContact CE-O 3.44Å; M333-F395 HydrophobicContact SD-CB 4.16Å; S387-F395 VanDerWaalsContact CA-O 3.24Å; S387-F395 WeakPolarHBondContact CA-O 3.4Å; S387-F395 WeakPolarHBondContact CB-O 3.35Å; F395-E400 WeakPolarHBondContact CA-OE1 3.28Å; F395-E400 HydrophobicContact CB-CG 4.44Å; F395-E400 HydrophobicContact CD1-CG 4.24Å; F395-K401 HydrophobicContact CB-CB 3.89Å; F395-K401 HydrophobicContact CD1-CB 4.25Å; F395-K401 HydrophobicContact CD2-CB 3.68Å; F395-K401 HydrophobicContact CD2-CD 3.83Å; F395-K401 HydrophobicContact CD2-CG 3.57Å; F395-K401 HydrophobicContact CE2-CB 4.28Å; F395-K401 HydrophobicContact CE2-CD 4.2Å; F395-K401 HydrophobicContact CE2-CG 3.78Å; F395-K401 HydrophobicContact CG-CB 3.66Å; F395-K401 HydrophobicContact CG-CG 4.08Å; F395-K401 HydrophobicContact CZ-CG 4.44Å; F395-T404 HydrophobicContact CE1-CG2 3.8Å; F395-T404 HydrophobicContact CZ-CG2 4.37Å; F395-M405 HydrophobicContact CZ-CG 4.19Å; F395-M405 HydrophobicContact CZ-SD 4.13Å
396Q94.5Very high94.4Very high35 Ų3576.3 Ų76.316%0.16440%0.401CS..SBendtrans-87.4-42175.7-61.6-59.2-45.400111.5F383 D385 T386 E400F383-Q396 HydrophobicContact CE2-CG 4.13Å; F383-Q396 VanDerWaalsContact CZ-CD 3.44Å; F383-Q396 HydrophobicContact CZ-CG 4.02Å; D385-Q396 PolarHBondContact OD1-NE2 3.48Å; D385-Q396 PolarHBondContact OD1-OE1 3.05Å; T386-Q396 PolarHBondContact OG1-O 3Å; T386-Q396 VanDerWaalsContact OG1-O 3.09Å; T386-Q396 PolarHBondContact OG1-OE1 3.37Å; T386-Q396 VanDerWaalsContact OG1-OE1 3.04Å; Q396-E400 WeakPolarHBondContact CA-OE2 3.42Å; Q396-E400 VanDerWaalsContact CB-OE2 3.29Å; Q396-E400 WeakPolarHBondContact CB-OE2 3.39Å; Q396-E400 PolarHBondContact N-OE2 3.26Å
397T93.4Very high94.1Very high20 Ų2081.2 Ų81.212%0.12343%0.433CS..SBendtrans-119.3160.6-178.871.60000112.7T326 K328 A399 E400 K401T326-T397 HydrophobicContact CG2-CG2 3.89Å; K328-T397 HydrophobicContact CB-CG2 4.13Å; T397-A399 VanDerWaalsContact C-N 3.29Å; T397-E400 PolarHBondContact N-OE2 2.92Å; T397-E400 VanDerWaalsContact OG1-CB 3.27Å; T397-E400 WeakPolarHBondContact OG1-CB 3.45Å; T397-E400 PolarHBondContact OG1-N 3Å; T397-E400 VanDerWaalsContact OG1-N 3.08Å; T397-K401 PolarHBondContact O-N 3.06Å; T397-K401 VanDerWaalsContact O-N 3.12Å
398R91.9Very high93.8Very high168 Ų16884 Ų8463%0.63445%0.447SS*.Hα-helixtrans-65.8-35.6173.5-176.1176.5175.6177.4-2111.6K401 Q402R398-K401 PolarHBondContact O-N 2.93Å; R398-Q402 WeakPolarHBondContact O-CG 3.22Å; R398-Q402 PolarHBondContact O-N 2.89Å
399A91.2Very high93.5Very high63 Ų6392.1 Ų92.152%0.52148%0.48SS..Hα-helixtrans-64.3-48.917800000111T397 K401 Q402 A403T397-A399 VanDerWaalsContact C-N 3.29Å; A399-K401 VanDerWaalsContact C-N 3.34Å; A399-K401 PolarHBondContact O-N 3.28Å; A399-Q402 PolarHBondContact O-N 2.64Å; A399-Q402 VanDerWaalsContact O-N 3.1Å; A399-A403 WeakPolarHBondContact O-CB 3.42Å; A399-A403 PolarHBondContact O-N 3.07Å
400E94Very high93.1Very high70 Ų7096.6 Ų96.633%0.32750%0.499SS..Hα-helixtrans-54.5-48.7173.1-177.9-163.6154.100111.3F395 Q396 T397 Q402 A403 T404F395-E400 WeakPolarHBondContact CA-OE1 3.28Å; F395-E400 HydrophobicContact CB-CG 4.44Å; F395-E400 HydrophobicContact CD1-CG 4.24Å; Q396-E400 WeakPolarHBondContact CA-OE2 3.42Å; Q396-E400 VanDerWaalsContact CB-OE2 3.29Å; Q396-E400 WeakPolarHBondContact CB-OE2 3.39Å; Q396-E400 PolarHBondContact N-OE2 3.26Å; T397-E400 PolarHBondContact N-OE2 2.92Å; T397-E400 VanDerWaalsContact OG1-CB 3.27Å; T397-E400 WeakPolarHBondContact OG1-CB 3.45Å; T397-E400 PolarHBondContact OG1-N 3Å; T397-E400 VanDerWaalsContact OG1-N 3.08Å; E400-Q402 VanDerWaalsContact C-N 3.32Å; E400-Q402 PolarHBondContact O-N 3.02Å; E400-A403 PolarHBondContact O-N 3.36Å; E400-T404 PolarHBondContact O-N 3.2Å; E400-T404 PolarHBondContact O-OG1 3.47Å
401K94.5Very high92.5Very high85 Ų8593 Ų9337%0.3749%0.49SS..Hα-helixtrans-58.5-41.2176.4179.9172.7-178.2174.40113.1F395 T397 R398 A399 M405F395-K401 HydrophobicContact CB-CB 3.89Å; F395-K401 HydrophobicContact CD1-CB 4.25Å; F395-K401 HydrophobicContact CD2-CB 3.68Å; F395-K401 HydrophobicContact CD2-CD 3.83Å; F395-K401 HydrophobicContact CD2-CG 3.57Å; F395-K401 HydrophobicContact CE2-CB 4.28Å; F395-K401 HydrophobicContact CE2-CD 4.2Å; F395-K401 HydrophobicContact CE2-CG 3.78Å; F395-K401 HydrophobicContact CG-CB 3.66Å; F395-K401 HydrophobicContact CG-CG 4.08Å; F395-K401 HydrophobicContact CZ-CG 4.44Å; T397-K401 PolarHBondContact O-N 3.06Å; T397-K401 VanDerWaalsContact O-N 3.12Å; R398-K401 PolarHBondContact O-N 2.93Å; A399-K401 VanDerWaalsContact C-N 3.34Å; A399-K401 PolarHBondContact O-N 3.28Å; K401-M405 HydrophobicContact CG-CG 4.22Å; K401-M405 VanDerWaalsContact O-CB 3.28Å; K401-M405 WeakPolarHBondContact O-CB 3.2Å; K401-M405 WeakPolarHBondContact O-CG 3.43Å; K401-M405 PolarHBondContact O-N 2.9Å; K401-M405 VanDerWaalsContact O-N 3.08Å
402Q92.8Very high91.7Very high112 Ų11295.8 Ų95.852%0.52349%0.493SS..Hα-helixtrans-69.7-42.1179.5-76.7173.9-51.100111.3R398 A399 E400 G406R398-Q402 WeakPolarHBondContact O-CG 3.22Å; R398-Q402 PolarHBondContact O-N 2.89Å; A399-Q402 PolarHBondContact O-N 2.64Å; A399-Q402 VanDerWaalsContact O-N 3.1Å; E400-Q402 VanDerWaalsContact C-N 3.32Å; E400-Q402 PolarHBondContact O-N 3.02Å; Q402-G406 PolarHBondContact O-N 2.71Å; Q402-G406 VanDerWaalsContact O-N 3.08Å
403A93.6Very high90.8Very high82 Ų8288.3 Ų88.368%0.67847%0.468SS*.Hα-helixtrans-61.8-46.5176.300000111.5A399 E400A399-A403 WeakPolarHBondContact O-CB 3.42Å; A399-A403 PolarHBondContact O-N 3.07Å; E400-A403 PolarHBondContact O-N 3.36Å
404T94.5Very high89.6Confident95 Ų9595.9 Ų95.958%0.58349%0.489SS*.Hα-helixtrans-70.9-39.7-178.9-50.50000113.5F395 E400 G406F395-T404 HydrophobicContact CE1-CG2 3.8Å; F395-T404 HydrophobicContact CZ-CG2 4.37Å; E400-T404 PolarHBondContact O-N 3.2Å; E400-T404 PolarHBondContact O-OG1 3.47Å; T404-G406 VanDerWaalsContact C-N 3.32Å
405M94.2Very high88Confident97 Ų9788.4 Ų88.448%0.47847%0.474SS..Hα-helixtrans-82.1-12.7-177.1-62.6-68.5-112.700113F395 K401 L408F395-M405 HydrophobicContact CZ-CG 4.19Å; F395-M405 HydrophobicContact CZ-SD 4.13Å; K401-M405 HydrophobicContact CG-CG 4.22Å; K401-M405 VanDerWaalsContact O-CB 3.28Å; K401-M405 WeakPolarHBondContact O-CB 3.2Å; K401-M405 WeakPolarHBondContact O-CG 3.43Å; K401-M405 PolarHBondContact O-N 2.9Å; K401-M405 VanDerWaalsContact O-N 3.08Å; M405-L408 HydrophobicContact CB-CD1 4.4Å; M405-L408 HydrophobicContact CB-CD2 4.34Å; M405-L408 HydrophobicContact CB-CG 4.48Å
406G91.9Very high86.3Confident33 Ų3395.3 Ų95.334%0.3450%0.504SS..  trans61-164.3-175.700000114Q402 T404 L408Q402-G406 PolarHBondContact O-N 2.71Å; Q402-G406 VanDerWaalsContact O-N 3.08Å; T404-G406 VanDerWaalsContact C-N 3.32Å; G406-L408 PolarHBondContact O-N 2.84Å
407P90.1Very high84.8Confident106 Ų10699.7 Ų99.769%0.68853%0.533SS*.SBendtrans-63.4117.9173.8-19.932.7000111.1L412P407-L412 HydrophobicContact CB-CD2 4.11Å; P407-L412 HydrophobicContact CB-CG 4.3Å
408L90.3Very high83.3Confident65 Ų65103.2 Ų103.234%0.3456%0.564SS.*  trans-96.7157.5173.6-63173.3000110M405 G406 K410 S411 L412M405-L408 HydrophobicContact CB-CD1 4.4Å; M405-L408 HydrophobicContact CB-CD2 4.34Å; M405-L408 HydrophobicContact CB-CG 4.48Å; G406-L408 PolarHBondContact O-N 2.84Å; L408-K410 HydrophobicContact CB-CG 4.14Å; L408-K410 PolarHBondContact O-N 2.82Å; L408-S411 PolarHBondContact N-OG 2.96Å; L408-S411 PolarHBondContact O-N 3.11Å; L408-S411 PolarHBondContact O-OG 2.66Å; L408-L412 PolarHBondContact O-N 3.26Å; L408-L412 VanDerWaalsContact O-N 3.11Å
409K91Very high81.4Confident196 Ų196101.5 Ų101.585%0.85259%0.586SS**Hα-helixtrans-46.3-41.7175.2-172.9174.4-177174.70113.1G413K409-G413 PolarHBondContact O-N 2.96Å; K409-G413 VanDerWaalsContact O-N 3.08Å
410K88.9Confident80.9Confident151 Ų151103.4 Ų103.466%0.65759%0.589SS**Hα-helixtrans-71.5-26.6178.569-178.3179.1-173.10115.3L408L408-K410 HydrophobicContact CB-CG 4.14Å; L408-K410 PolarHBondContact O-N 2.82Å
411S80.6Confident80.3Confident56 Ų56105.2 Ų105.239%0.39260%0.603SS.*Hα-helixtrans-80.8-36.2176.449.50000110.8L408 R414 A415L408-S411 PolarHBondContact N-OG 2.96Å; L408-S411 PolarHBondContact O-N 3.11Å; L408-S411 PolarHBondContact O-OG 2.66Å; S411-R414 PolarHBondContact O-N 3.34Å; S411-A415 PolarHBondContact O-N 2.57Å
412L79.9Confident79.5Confident105 Ų105106.3 Ų106.355%0.5562%0.616SS.*Hα-helixtrans-64.6-41173.2-63.7172.3000111.6P407 L408 R414 A415 K416P407-L412 HydrophobicContact CB-CD2 4.11Å; P407-L412 HydrophobicContact CB-CG 4.3Å; L408-L412 PolarHBondContact O-N 3.26Å; L408-L412 VanDerWaalsContact O-N 3.11Å; L412-R414 VanDerWaalsContact C-N 3.28Å; L412-R414 PolarHBondContact O-N 2.92Å; L412-A415 PolarHBondContact O-N 3.11Å; L412-K416 PolarHBondContact O-N 2.93Å
413G76.1Confident78.7Confident36 Ų36105.9 Ų105.937%0.37162%0.621SS.*Hα-helixtrans-64.4-27.4175.700000114.4K409 K416 V417K409-G413 PolarHBondContact O-N 2.96Å; K409-G413 VanDerWaalsContact O-N 3.08Å; G413-K416 PolarHBondContact O-N 2.85Å; G413-V417 WeakPolarHBondContact O-CG2 3.48Å; G413-V417 PolarHBondContact O-N 3.24Å
414R66.6Low77.7Confident185 Ų185107.4 Ų107.470%0.69862%0.618SS**Hα-helixtrans-73.9-32175.8-80.5-177.4177.4-161.8-5.9112.9S411 L412 K416 V417 A418S411-R414 PolarHBondContact O-N 3.34Å; L412-R414 VanDerWaalsContact C-N 3.28Å; L412-R414 PolarHBondContact O-N 2.92Å; R414-K416 VanDerWaalsContact C-N 3.28Å; R414-V417 PolarHBondContact O-N 3.31Å; R414-A418 WeakPolarHBondContact O-CB 3.43Å; R414-A418 PolarHBondContact O-N 3.14Å; R414-A418 VanDerWaalsContact O-N 3.16Å
415A62.1Low76.6Confident64 Ų64108.3 Ų108.353%0.52962%0.62SS.*Hα-helixtrans-64.2-38173.700000110.7S411 L412 V417 A418 A419S411-A415 PolarHBondContact O-N 2.57Å; L412-A415 PolarHBondContact O-N 3.11Å; A415-V417 VanDerWaalsContact C-N 3.26Å; A415-V417 PolarHBondContact O-N 2.76Å; A415-A418 PolarHBondContact O-N 3.04Å; A415-A419 WeakPolarHBondContact O-CB 3.46Å; A415-A419 PolarHBondContact O-N 3.18Å
416K60.8Low75.4Confident178 Ų178109.1 Ų109.177%0.77463%0.63SS**Hα-helixtrans-71.8-8.3176.2-68.2-167.1176.3-168.10116.1L412 G413 R414L412-K416 PolarHBondContact O-N 2.93Å; G413-K416 PolarHBondContact O-N 2.85Å; R414-K416 VanDerWaalsContact C-N 3.28Å
417V63.3Low74.1Confident127 Ų127114.9 Ų114.977%0.7765%0.652SS**Hα-helixtrans-109.1-15.1176.61780000111G413 R414 A415G413-V417 WeakPolarHBondContact O-CG2 3.48Å; G413-V417 PolarHBondContact O-N 3.24Å; R414-V417 PolarHBondContact O-N 3.31Å; A415-V417 VanDerWaalsContact C-N 3.26Å; A415-V417 PolarHBondContact O-N 2.76Å
418A61.1Low72.8Confident93 Ų93115.7 Ų115.777%0.76965%0.649SS**Hα-helixtrans-98-21.7175.900000112.7R414 A415R414-A418 WeakPolarHBondContact O-CB 3.43Å; R414-A418 PolarHBondContact O-N 3.14Å; R414-A418 VanDerWaalsContact O-N 3.16Å; A415-A418 PolarHBondContact O-N 3.04Å
419A52.7Low71.2Confident132 Ų132120.3 Ų120.3100%1.09168%0.677SS**  trans-87.80154.300000108.1A415A415-A419 WeakPolarHBondContact O-CB 3.46Å; A415-A419 PolarHBondContact O-N 3.18Å

Retrieved 419 of 419 residues in 704.6 ms (Link to these results)

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