A0A096NKY6_PAPAN Loading...

60S ribosomal protein L3-like

Heart- and skeletal muscle-specific component of the ribosome, which regulates muscle function. Component of the large ribosomal subunit in striated muscle cells: replaces the RPL3 paralog in the ribosome in these cells. The ribosome is a large ribonucleoprotein complex responsible for the synthesis of proteins in the cell. Inhibits myotube growth and muscle function.

AlphaFold DB (A0A2K6BDK8), UniProt , Accession A0A096NKY6, Species PAPAN (Papio anubis, Olive baboon), Gene RPL3L, Length 407 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
1M63.8Low91.7Very high245 Ų245136.6 Ų136.6100%1.20770%0.697SS**  0125.80-76.6-144.3-73.900108.2
2S85.9Confident91.9Very high115 Ų115128.2 Ų128.280%0.80467%0.669SS**  trans-86.1-106.9-177.856.30000111.1
3H90.6Very high92.3Very high154 Ų154127.5 Ų127.571%0.71366%0.66SS**SBendtrans-83.8168.6179.270.6-81.5000111.9K5H3-K5 PolarHBondContact O-N 2.9Å
4R93Very high92.6Very high162 Ų162123.4 Ų123.461%0.61164%0.639SS**  trans-66.9114176.9-176.9-176.4175.8-179.11.4110.1F6 A8R4-F6 VanDerWaalsContact C-N 3.3Å; R4-F6 WeakPolarHBondContact CD-O 3.48Å; R4-F6 WeakPolarHBondContact CG-O 3.32Å; R4-F6 PolarHBondContact NE-O 2.91Å; R4-F6 PolarHBondContact O-N 3.06Å; R4-A8 PolarHBondContact NH1-O 3.48Å; R4-A8 VanDerWaalsContact NH1-O 3.13Å
5K95.6Very high92.9Very high176 Ų176119.3 Ų119.377%0.76564%0.639SS**SBendtrans-54.1-37.3-177.4-172.2172.4-177.9173.60115.1H3H3-K5 PolarHBondContact O-N 2.9Å
6F96.4Very high93.1Very high152 Ų152117.9 Ų117.967%0.66763%0.626SS**SBendtrans-128.2124.4179.4-61-75.1000111.3R4R4-F6 VanDerWaalsContact C-N 3.3Å; R4-F6 WeakPolarHBondContact CD-O 3.48Å; R4-F6 WeakPolarHBondContact CG-O 3.32Å; R4-F6 PolarHBondContact NE-O 2.91Å; R4-F6 PolarHBondContact O-N 3.06Å
7S96.6Very high93.2Very high122 Ų122114.6 Ų114.685%0.85361%0.608SS**  trans-63139.2173.3-66.60000111
8A96.3Very high93.4Very high51 Ų51113.1 Ų113.142%0.42161%0.606SS.*  trans-152.8157.5163.900000110.6R4R4-A8 PolarHBondContact NH1-O 3.48Å; R4-A8 VanDerWaalsContact NH1-O 3.13Å
9P97.4Very high93.4Very high117 Ų117108.8 Ų108.876%0.7658%0.582SS**  trans-57.7157.1178.4-24.234.3000113
10R96.1Very high93.6Very high119 Ų119109.9 Ų109.945%0.44958%0.581SS.*  trans-70.5136.5176-178.7-179.516672.425.2111.3G12 L14 S265R10-G12 PolarHBondContact NE-O 3.03Å; R10-G12 PolarHBondContact O-N 2.74Å; R10-L14 VanDerWaalsContact NE-CG 3.32Å; R10-S265 PolarHBondContact NH1-O 2.85Å; R10-S265 PolarHBondContact NH2-O 2.94Å
11H96.9Very high93.8Very high90 Ų90112.2 Ų112.242%0.41758%0.582SS.*SBendtrans-76.5108.1170.3-72.6-66.2000111.9H236 T237H11-H236 PolarHBondContact CE1-O 3.41Å; H11-H236 PolarHBondContact ND1-O 3.3Å; H11-H236 VanDerWaalsContact ND1-O 3.16Å; H11-T237 HydrophobicContact CB-CG2 4.18Å
12G94.6Very high95.4Very high35 Ų35101.7 Ų101.736%0.36153%0.532SS..SBendtrans81.8150173.800000114.9R10R10-G12 PolarHBondContact NE-O 3.03Å; R10-G12 PolarHBondContact O-N 2.74Å
13H96.3Very high95.9Very high119 Ų119107.9 Ų107.955%0.55154%0.538SS*.  trans-90.1125.2-171.7-174.4-74.2000112.1G15 F16H13-G15 PolarHBondContact CE1-N 3.22Å; H13-G15 PolarHBondContact ND1-N 3.45Å; H13-F16 HydrophobicContact CB-CD2 3.92Å; H13-F16 HydrophobicContact CB-CE2 4.33Å; H13-F16 AromaticContact CG-CD2 3.84Å; H13-F16 AromaticContact ND1-CD2 3.47Å; H13-F16 WeakPolarHBondContact ND1-CD2 3.39Å; H13-F16 AromaticContact ND1-CE2 3.76Å
14L96.4Very high96.1Very high71 Ų71106.6 Ų106.637%0.37253%0.527SS..G310 helixtrans-75.3-28.8-174.8-69.5-179.6000114.3R10 F16 L17R10-L14 VanDerWaalsContact NE-CG 3.32Å; L14-F16 PolarHBondContact O-N 3.08Å; L14-L17 HydrophobicContact CD2-CD1 3.63Å; L14-L17 HydrophobicContact CD2-CG 4.3Å; L14-L17 VanDerWaalsContact O-CB 3.3Å; L14-L17 WeakPolarHBondContact O-CB 3.34Å; L14-L17 PolarHBondContact O-N 3.01Å
15G97.1Very high96.1Very high62 Ų62102.5 Ų102.564%0.63951%0.514SS*.G310 helixtrans-63.9-6.2177.900000114.7H13H13-G15 PolarHBondContact CE1-N 3.22Å; H13-G15 PolarHBondContact ND1-N 3.45Å
16F96.5Very high96.1Very high96 Ų9695.8 Ų95.842%0.42148%0.484SS..G310 helixtrans-99.4-1.7172.6-69.4-61.5000114H13 L14 H19H13-F16 HydrophobicContact CB-CD2 3.92Å; H13-F16 HydrophobicContact CB-CE2 4.33Å; H13-F16 AromaticContact CG-CD2 3.84Å; H13-F16 AromaticContact ND1-CD2 3.47Å; H13-F16 WeakPolarHBondContact ND1-CD2 3.39Å; H13-F16 AromaticContact ND1-CE2 3.76Å; L14-F16 PolarHBondContact O-N 3.08Å; F16-H19 PolarHBondContact O-CD2 3.44Å
17L95.6Very high96.1Very high63 Ų6388.5 Ų88.533%0.3345%0.452SS..  trans-63.1145.3168-71.9-178.1000110.2L14 W235L14-L17 HydrophobicContact CD2-CD1 3.63Å; L14-L17 HydrophobicContact CD2-CG 4.3Å; L14-L17 VanDerWaalsContact O-CB 3.3Å; L14-L17 WeakPolarHBondContact O-CB 3.34Å; L14-L17 PolarHBondContact O-N 3.01Å; L17-W235 HydrophobicContact CD2-CH2 3.89Å; L17-W235 HydrophobicContact CD2-CZ2 4.31Å
18P95.8Very high96.2Very high87 Ų8787.2 Ų87.257%0.56543%0.431SS*.SBendcis-77.3136.8-3.630.1-34.8000113.5K20P18-K20 VanDerWaalsContact C-N 3.27Å; P18-K20 HydrophobicContact CB-CD 4.34Å; P18-K20 HydrophobicContact CB-CG 4.39Å; P18-K20 HydrophobicContact CG-CD 4.03Å; P18-K20 HydrophobicContact CG-CG 4.23Å; P18-K20 PolarHBondContact O-N 3.43Å
19H94.1Very high96.2Very high31 Ų3185.4 Ų85.414%0.14442%0.415CS..  trans-77.669.7173.4-74.3-175.3000112.1F16 R234 W235F16-H19 PolarHBondContact O-CD2 3.44Å; H19-R234 VanDerWaalsContact CB-NH2 3.34Å; H19-R234 PolarHBondContact O-NH2 2.65Å; H19-R234 VanDerWaalsContact O-NH2 3.09Å; H19-W235 AromaticContact CE1-CH2 3.52Å; H19-W235 AromaticContact CE1-CZ3 3.78Å; H19-W235 AromaticContact ND1-CH2 3.55Å; H19-W235 AromaticContact ND1-CZ2 3.59Å
20K96.3Very high96.2Very high130 Ų13087.3 Ų87.357%0.56541%0.411SS*.  trans-118.9166.7179.868.5-177.1179-173.10113.2P18 S22 H275P18-K20 VanDerWaalsContact C-N 3.27Å; P18-K20 HydrophobicContact CB-CD 4.34Å; P18-K20 HydrophobicContact CB-CG 4.39Å; P18-K20 HydrophobicContact CG-CD 4.03Å; P18-K20 HydrophobicContact CG-CG 4.23Å; P18-K20 PolarHBondContact O-N 3.43Å; K20-S22 PolarHBondContact O-N 2.88Å; K20-H275 PolarHBondContact O-ND1 2.87Å
21R98.1Very high96.3Very high160 Ų16085.5 Ų85.560%0.60441%0.414SS*.  trans-62134.2173.4-70.5179.667.8-1750.5110R23 Q271 Y274R21-R23 PolarHBondContact O-N 3.17Å; R21-Q271 HydrophobicContact CG-CG 3.84Å; R21-Y274 CarbonylContact C-O 3.6Å; R21-Y274 WeakPolarHBondContact CA-O 3.27Å; R21-Y274 HydrophobicContact CB-CD1 3.9Å; R21-Y274 HydrophobicContact CG-CD1 4.16Å
22S97.4Very high96.3Very high23 Ų2382.3 Ų82.316%0.16140%0.398CS..  trans-62.3130.7170.6-179.70000109.7K20 R24 Y274K20-S22 PolarHBondContact O-N 2.88Å; S22-R24 VanDerWaalsContact C-N 3.29Å; S22-R24 WeakPolarHBondContact CB-O 3.18Å; S22-R24 PolarHBondContact OG-N 2.82Å; S22-R24 PolarHBondContact OG-O 3Å; S22-Y274 PolarHBondContact N-O 3.44Å; S22-Y274 WeakPolarHBondContact O-CE1 3.4Å
23R96.4Very high96.4Very high246 Ų24681.4 Ų81.493%0.92839%0.386SS*.SBendtrans-69-30.3175.3-65.2-178.872.9-177.54.2112.1R21R21-R23 PolarHBondContact O-N 3.17Å
24R95.2Very high96.4Very high127 Ų12787.3 Ų87.348%0.47940%0.403SS..SBendtrans-97.7138176.6-66.1-177179.5-160.6-1.3109.3S22 V222S22-R24 VanDerWaalsContact C-N 3.29Å; S22-R24 WeakPolarHBondContact CB-O 3.18Å; S22-R24 PolarHBondContact OG-N 2.82Å; S22-R24 PolarHBondContact OG-O 3Å; R24-V222 WeakPolarHBondContact O-CG2 3.41Å
25H93.9Very high96.4Very high75 Ų7587 Ų8735%0.34740%0.402SS..SBendtrans-72.8-32.4174.4-174.394.1000112.4V222 Y274 R343H25-V222 VanDerWaalsContact O-CG2 3.31Å; H25-V222 WeakPolarHBondContact O-CG2 3.44Å; H25-Y274 PolarHBondContact ND1-OH 2.97Å; H25-R343 VanDerWaalsContact CE1-CZ 3.49Å; H25-R343 PolarHBondContact CE1-NH1 2.76Å; H25-R343 PolarHBondContact ND1-NH1 2.93Å; H25-R343 PolarHBondContact NE2-NH1 2.94Å
26R95.8Very high96.3Very high35 Ų3587 Ų8713%0.13239%0.387CS..SBendtrans-90149.6175.8-170.5-167.772.9-143.83.7111.2K28 L47 I180 M181 V344 T346R26-K28 PolarHBondContact O-N 2.97Å; R26-L47 HydrophobicContact CG-CD2 4.33Å; R26-I180 VanDerWaalsContact NH1-C 3.26Å; R26-I180 PolarHBondContact NH1-O 2.95Å; R26-M181 VanDerWaalsContact CZ-CB 3.49Å; R26-V344 HydrophobicContact CB-CG1 3.74Å; R26-V344 HydrophobicContact CG-CG1 3.8Å; R26-V344 HydrophobicContact CG-CG2 4.03Å; R26-T346 WeakPolarHBondContact CG-OG1 3.44Å
27G95.9Very high96.3Very high0 Ų086.3 Ų86.30%039%0.393CS..PPolyproline II helixtrans-50.5122.1160.100000112.2T346G27-T346 PolarHBondContact O-OG1 3.25Å
28K97.4Very high96.3Very high94 Ų9488.1 Ų88.141%0.40941%0.41SS..PPolyproline II helixtrans-89.2125.3167.9-177.7-175.7-179.4-175.80108.1R26 K30 H276R26-K28 PolarHBondContact O-N 2.97Å; K28-K30 PolarHBondContact O-N 2.95Å; K28-H276 PolarHBondContact N-NE2 2.81Å; K28-H276 PolarHBondContact O-NE2 2.67Å
29V97.9Very high96.4Very high13 Ų1388 Ų888%0.07940%0.402CS..PPolyproline II helixtrans-68.4116.2163.9-172.70000107.8T31 W32 M181 I220 T346V29-T31 WeakPolarHBondContact CG1-O 3.47Å; V29-W32 HydrophobicContact CB-CD2 4.47Å; V29-W32 HydrophobicContact CB-CH2 3.91Å; V29-W32 HydrophobicContact CB-CZ2 3.66Å; V29-W32 HydrophobicContact CB-CZ3 4.44Å; V29-W32 HydrophobicContact CG1-CD2 3.63Å; V29-W32 HydrophobicContact CG1-CE3 3.84Å; V29-W32 HydrophobicContact CG1-CG 4.23Å; V29-W32 HydrophobicContact CG1-CH2 3.96Å; V29-W32 HydrophobicContact CG1-CZ2 3.75Å; V29-W32 HydrophobicContact CG1-CZ3 4.03Å; V29-W32 HydrophobicContact CG2-CH2 3.71Å; V29-W32 HydrophobicContact CG2-CZ2 3.97Å; V29-W32 HydrophobicContact CG2-CZ3 4.22Å; V29-M181 HydrophobicContact CG2-CE 4.12Å; V29-I220 HydrophobicContact CB-CD1 4.41Å; V29-I220 HydrophobicContact CG1-CD1 4.44Å; V29-I220 HydrophobicContact CG2-CD1 4.05Å; V29-T346 HydrophobicContact CG2-CG2 3.57Å
30K96.6Very high96.5Very high157 Ų15791.7 Ų91.768%0.68343%0.429SS*.  trans-91.3-32.1177.6-66.1-177.7-178.31780112.1K28K28-K30 PolarHBondContact O-N 2.95Å
31T97.4Very high96.6Very high82 Ų8286.7 Ų86.750%0.50341%0.409SS..SBendtrans-135.2137.8-176.6-470000107.8V29 R348 L351V29-T31 WeakPolarHBondContact CG1-O 3.47Å; T31-R348 WeakPolarHBondContact O-CD 3.34Å; T31-R348 PolarHBondContact O-NH1 2.9Å; T31-L351 HydrophobicContact CG2-CD1 4.15Å; T31-L351 HydrophobicContact CG2-CD2 4.44Å
32W97.8Very high96.6Very high22 Ų2280.6 Ų80.68%0.08339%0.388CS..PPolyproline II helixtrans-102.5158176.9-66.1100.8000109.8V29 T44 A45 R161 M181 E182 I183 Q184 L351V29-W32 HydrophobicContact CB-CD2 4.47Å; V29-W32 HydrophobicContact CB-CH2 3.91Å; V29-W32 HydrophobicContact CB-CZ2 3.66Å; V29-W32 HydrophobicContact CB-CZ3 4.44Å; V29-W32 HydrophobicContact CG1-CD2 3.63Å; V29-W32 HydrophobicContact CG1-CE3 3.84Å; V29-W32 HydrophobicContact CG1-CG 4.23Å; V29-W32 HydrophobicContact CG1-CH2 3.96Å; V29-W32 HydrophobicContact CG1-CZ2 3.75Å; V29-W32 HydrophobicContact CG1-CZ3 4.03Å; V29-W32 HydrophobicContact CG2-CH2 3.71Å; V29-W32 HydrophobicContact CG2-CZ2 3.97Å; V29-W32 HydrophobicContact CG2-CZ3 4.22Å; W32-T44 WeakPolarHBondContact CZ3-OG1 2.77Å; W32-A45 HydrophobicContact CH2-CB 3.81Å; W32-A45 HydrophobicContact CZ3-CB 3.4Å; W32-A45 VanDerWaalsContact CZ3-CB 3.4Å; W32-R161 VanDerWaalsContact CD1-NH2 3.35Å; W32-M181 HydrophobicContact CH2-CE 3.77Å; W32-E182 WeakPolarHBondContact CH2-O 3.42Å; W32-E182 VanDerWaalsContact CZ2-O 3.23Å; W32-E182 WeakPolarHBondContact CZ2-O 3.32Å; W32-I183 HydrophobicContact CH2-CB 4.31Å; W32-I183 HydrophobicContact CH2-CG1 4.46Å; W32-I183 HydrophobicContact CH2-CG2 4.27Å; W32-I183 HydrophobicContact CZ3-CG2 4.08Å; W32-Q184 HydrophobicContact CB-CB 4.12Å; W32-Q184 HydrophobicContact CB-CG 4.45Å; W32-Q184 HydrophobicContact CD2-CB 3.58Å; W32-Q184 HydrophobicContact CE3-CB 3.89Å; W32-Q184 HydrophobicContact CG-CB 3.67Å; W32-Q184 HydrophobicContact CG-CG 4.37Å; W32-Q184 HydrophobicContact CZ3-CB 4.5Å; W32-L351 WeakPolarHBondContact O-CD2 3.02Å
33P97.1Very high96.6Very high16 Ų1679.7 Ų79.710%0.10438%0.381CS..PPolyproline II helixtrans-52145.4168.8-22.733.5000110.2T44 N186 K349 L351P33-T44 HydrophobicContact CG-CG2 4.19Å; P33-N186 PolarHBondContact O-ND2 3.2Å; P33-K349 HydrophobicContact CG-CB 3.98Å; P33-L351 HydrophobicContact CG-CD2 4.32Å
34R95.3Very high96.7Very high243 Ų24368 Ų6892%0.91734%0.336SS*.PPolyproline II helixtrans-60.9142.8175-70.3-173.2179.7-173.40.9109N186R34-N186 PolarHBondContact O-ND2 3.26Å
35D96.3Very high96.9Very high65 Ų6561.9 Ų61.935%0.34831%0.314SS..PPolyproline II helixtrans-84134.5-177.5-171.329.2000109.6N186 G187 K193D35-N186 WeakPolarHBondContact OD1-CA 3.4Å; D35-N186 WeakPolarHBondContact OD1-CB 3.5Å; D35-G187 PolarHBondContact OD1-N 3.43Å; D35-K193 IonicContact OD1-NZ 2.81Å; D35-K193 PolarHBondContact OD1-NZ 2.64Å; D35-K193 IonicContact OD2-NZ 2.8Å; D35-K193 PolarHBondContact OD2-NZ 2.76Å
36D95.5Very high97.1Very high61 Ų6158.3 Ų58.333%0.32630%0.297SS..  trans-126.6101.2178.8174.93.3000107.8S38 Q39 G187D36-S38 PolarHBondContact O-N 3.05Å; D36-S38 VanDerWaalsContact O-N 3.16Å; D36-S38 WeakPolarHBondContact OD1-CB 3.39Å; D36-S38 PolarHBondContact OD1-N 2.78Å; D36-S38 VanDerWaalsContact OD1-N 3.09Å; D36-S38 PolarHBondContact OD1-OG 3.02Å; D36-S38 PolarHBondContact OD2-OG 3.09Å; D36-Q39 HydrophobicContact CB-CG 4.43Å; D36-Q39 PolarHBondContact O-N 3.05Å; D36-Q39 PolarHBondContact OD2-NE2 3.16Å; D36-G187 VanDerWaalsContact O-CA 3.27Å; D36-G187 WeakPolarHBondContact O-CA 3.45Å
37P95.9Very high97.2Very high83 Ų8356.7 Ų56.754%0.53929%0.291SS..THydrogen-bonded Turntrans-61.5-18.7-177-24.635.4000114.8Q39 G188P37-Q39 VanDerWaalsContact C-N 3.27Å; P37-Q39 PolarHBondContact O-N 2.94Å; P37-G188 VanDerWaalsContact O-CA 3.28Å; P37-G188 WeakPolarHBondContact O-CA 3.44Å; P37-G188 PolarHBondContact O-N 3.04Å
38S97.1Very high97.3Very high100 Ų10056.7 Ų56.770%0.69929%0.291SS*.THydrogen-bonded Turntrans-70.4-23.3179.2710000113.5D36D36-S38 PolarHBondContact O-N 3.05Å; D36-S38 VanDerWaalsContact O-N 3.16Å; D36-S38 WeakPolarHBondContact OD1-CB 3.39Å; D36-S38 PolarHBondContact OD1-N 2.78Å; D36-S38 VanDerWaalsContact OD1-N 3.09Å; D36-S38 PolarHBondContact OD1-OG 3.02Å; D36-S38 PolarHBondContact OD2-OG 3.09Å
39Q96.3Very high97.4Very high86 Ų8652.3 Ų52.340%0.40227%0.272SS..SBendtrans-84154.9-179.4-67-1802500110.9D36 P37 H42 G187 G188D36-Q39 HydrophobicContact CB-CG 4.43Å; D36-Q39 PolarHBondContact O-N 3.05Å; D36-Q39 PolarHBondContact OD2-NE2 3.16Å; P37-Q39 VanDerWaalsContact C-N 3.27Å; P37-Q39 PolarHBondContact O-N 2.94Å; Q39-H42 PolarHBondContact OE1-CE1 2.8Å; Q39-G187 CarbonylContact O-C 3.51Å; Q39-G187 VanDerWaalsContact O-C 3.22Å; Q39-G187 WeakPolarHBondContact O-CA 3.27Å; Q39-G188 PolarHBondContact O-N 3.37Å
40P97.4Very high97.4Very high107 Ų10752.6 Ų52.670%0.69527%0.272SS*.PPolyproline II helixtrans-63.5152.3172.827.4-35.4000111.7H42P40-H42 PolarHBondContact O-N 3.08Å; P40-H42 PolarHBondContact O-ND1 2.57Å
41V98.1Very high97.5Very high25 Ų2545.1 Ų45.115%0.15224%0.24CC..PPolyproline II helixtrans-60.1120.2178.7-177.50000110.8L185 N186 G187 E192 K193 W196V41-L185 HydrophobicContact CG1-CB 4.3Å; V41-L185 HydrophobicContact CG1-CD1 4.32Å; V41-L185 HydrophobicContact CG1-CD2 4.31Å; V41-N186 CarbonylContact C-O 3.22Å; V41-N186 VanDerWaalsContact CA-O 3.31Å; V41-N186 WeakPolarHBondContact CA-O 3.28Å; V41-G187 WeakPolarHBondContact CG2-O 3.09Å; V41-E192 HydrophobicContact CG2-CB 3.89Å; V41-K193 HydrophobicContact CG1-CG 4.08Å; V41-K193 HydrophobicContact CG2-CG 4.11Å; V41-W196 HydrophobicContact CB-CB 4.37Å; V41-W196 HydrophobicContact CB-CG 4.09Å; V41-W196 HydrophobicContact CG1-CB 3.83Å; V41-W196 HydrophobicContact CG1-CD2 3.95Å; V41-W196 HydrophobicContact CG1-CG 3.53Å; V41-W196 PolarHBondContact O-NE1 3Å; V41-W196 VanDerWaalsContact O-NE1 3.16Å
42H97.6Very high97.5Very high33 Ų3341.3 Ų41.315%0.15322%0.216CC..EExtended strand (participates in β ladder)trans-142.9161.9-177.965.3-87000113.2Q39 P40 N186Q39-H42 PolarHBondContact OE1-CE1 2.8Å; P40-H42 PolarHBondContact O-N 3.08Å; P40-H42 PolarHBondContact O-ND1 2.57Å; H42-N186 PolarHBondContact N-O 3.21Å; H42-N186 PolarHBondContact ND1-O 3.41Å; H42-N186 PolarHBondContact O-N 3.15Å; H42-N186 VanDerWaalsContact O-N 3.13Å
43L98.1Very high97.5Very high3 Ų343.6 Ų43.62%0.01623%0.229CC..EExtended strand (participates in β ladder)trans-84.3149.5174.1-71.1169.1000111.4V162 I183 L185 W196 V205 V210L43-V162 HydrophobicContact CD2-CG2 3.49Å; L43-V162 VanDerWaalsContact CD2-CG2 3.49Å; L43-I183 HydrophobicContact CB-CG2 4.13Å; L43-I183 HydrophobicContact CD2-CB 3.92Å; L43-I183 HydrophobicContact CD2-CD1 4.35Å; L43-I183 HydrophobicContact CD2-CG2 3.53Å; L43-I183 HydrophobicContact CG-CG2 4.41Å; L43-L185 HydrophobicContact CD2-CD2 3.53Å; L43-L185 HydrophobicContact CG-CD2 4.14Å; L43-W196 HydrophobicContact CD1-CH2 3.81Å; L43-W196 HydrophobicContact CD1-CZ2 4.4Å; L43-W196 HydrophobicContact CD2-CH2 3.82Å; L43-W196 HydrophobicContact CD2-CZ3 4.34Å; L43-W196 HydrophobicContact CG-CH2 3.56Å; L43-W196 HydrophobicContact CG-CZ2 4Å; L43-V205 HydrophobicContact CD1-CB 4.36Å; L43-V205 HydrophobicContact CD1-CG1 3.45Å; L43-V205 VanDerWaalsContact CD1-CG1 3.45Å; L43-V205 HydrophobicContact CD1-CG2 4.25Å; L43-V210 HydrophobicContact CB-CB 4.48Å; L43-V210 HydrophobicContact CB-CG1 3.93Å; L43-V210 HydrophobicContact CB-CG2 3.88Å; L43-V210 HydrophobicContact CD1-CG2 3.81Å; L43-V210 HydrophobicContact CG-CG2 4.49Å
44T98.1Very high97.5Very high0 Ų043.3 Ų43.30%023%0.227CC..  trans-113-4.3-173.553.20000114.1W32 P33 Q184 N186 R348 K349W32-T44 WeakPolarHBondContact CZ3-OG1 2.77Å; P33-T44 HydrophobicContact CG-CG2 4.19Å; T44-Q184 WeakPolarHBondContact CG2-O 3.14Å; T44-Q184 PolarHBondContact OG1-O 2.72Å; T44-N186 HydrophobicContact CG2-CB 3.84Å; T44-R348 CarbonylContact O-C 3.47Å; T44-R348 WeakPolarHBondContact O-CA 3.02Å; T44-R348 WeakPolarHBondContact O-CG 3.43Å; T44-K349 PolarHBondContact O-N 3.15Å
45A98.5Very high97.7Very high0 Ų035.2 Ų35.20%020%0.199CC..EExtended strand (participates in β ladder)trans-153166.5177.400000112.3W32 M181 I183 L347 R348W32-A45 HydrophobicContact CH2-CB 3.81Å; W32-A45 HydrophobicContact CZ3-CB 3.4Å; W32-A45 VanDerWaalsContact CZ3-CB 3.4Å; A45-M181 HydrophobicContact CB-CE 3.93Å; A45-I183 HydrophobicContact CB-CG1 4.31Å; A45-I183 HydrophobicContact CB-CG2 4.24Å; A45-I183 WeakPolarHBondContact O-CD1 3.39Å; A45-L347 CarbonylContact C-O 3.46Å; A45-L347 WeakPolarHBondContact CA-O 3.19Å; A45-L347 WeakPolarHBondContact CB-O 3.37Å; A45-R348 HydrophobicContact CB-CB 4.34Å; A45-R348 HydrophobicContact CB-CG 4.43Å
46F98.7Very high97.8Very high0 Ų032.1 Ų32.10%018%0.183CC..EExtended strand (participates in β ladder)trans-146164176.5-153.6-94000110.6T81 L84 V205 V207 V210 F211 L347F46-T81 HydrophobicContact CD1-CG2 3.9Å; F46-T81 HydrophobicContact CE1-CG2 3.99Å; F46-L84 HydrophobicContact CD1-CD1 4.11Å; F46-L84 HydrophobicContact CD1-CG 4.34Å; F46-L84 HydrophobicContact CD2-CD1 3.48Å; F46-L84 VanDerWaalsContact CD2-CD1 3.48Å; F46-L84 HydrophobicContact CD2-CG 4.06Å; F46-L84 HydrophobicContact CE1-CD1 4.14Å; F46-L84 HydrophobicContact CE1-CD2 4.32Å; F46-L84 HydrophobicContact CE1-CG 3.88Å; F46-L84 HydrophobicContact CE2-CB 4.32Å; F46-L84 HydrophobicContact CE2-CD1 3.57Å; F46-L84 HydrophobicContact CE2-CG 3.62Å; F46-L84 HydrophobicContact CG-CD1 3.78Å; F46-L84 HydrophobicContact CG-CG 4.42Å; F46-L84 HydrophobicContact CZ-CB 4.4Å; F46-L84 HydrophobicContact CZ-CD1 3.92Å; F46-L84 HydrophobicContact CZ-CD2 4.39Å; F46-L84 HydrophobicContact CZ-CG 3.52Å; F46-V205 HydrophobicContact CE2-CG1 4.37Å; F46-V205 WeakPolarHBondContact CE2-O 2.99Å; F46-V207 HydrophobicContact CD1-CB 4.23Å; F46-V207 HydrophobicContact CD1-CG2 4.05Å; F46-V207 HydrophobicContact CD2-CB 4.46Å; F46-V207 HydrophobicContact CD2-CG2 4.44Å; F46-V207 HydrophobicContact CE1-CB 3.97Å; F46-V207 HydrophobicContact CE1-CG2 4.31Å; F46-V207 HydrophobicContact CE2-CB 4.17Å; F46-V207 HydrophobicContact CG-CB 4.48Å; F46-V207 HydrophobicContact CG-CG2 4.14Å; F46-V207 HydrophobicContact CZ-CB 3.9Å; F46-V210 HydrophobicContact CD2-CB 4.34Å; F46-V210 HydrophobicContact CD2-CG2 3.88Å; F46-V210 HydrophobicContact CE2-CG2 4.34Å; F46-F211 HydrophobicContact CB-CD2 4.33Å; F46-F211 HydrophobicContact CB-CE2 3.47Å; F46-F211 VanDerWaalsContact CB-CE2 3.47Å; F46-F211 HydrophobicContact CB-CZ 4.05Å; F46-L347 HydrophobicContact CB-CB 4.48Å; F46-L347 PolarHBondContact N-O 2.96Å; F46-L347 PolarHBondContact O-N 3.11Å
47L98.4Very high97.9Very high0 Ų031 Ų310%018%0.177CC..EExtended strand (participates in β ladder)trans-114.3131.4171.1-62179.9000110.6R26 L84 T166 H179 M181 V344 I345 T346R26-L47 HydrophobicContact CG-CD2 4.33Å; L47-L84 HydrophobicContact CB-CD2 4.1Å; L47-T166 HydrophobicContact CB-CG2 3.51Å; L47-T166 HydrophobicContact CD1-CG2 3.73Å; L47-T166 HydrophobicContact CG-CG2 4.22Å; L47-H179 HydrophobicContact CD1-CB 4.14Å; L47-M181 HydrophobicContact CD1-CB 4.14Å; L47-M181 HydrophobicContact CD1-CG 3.78Å; L47-M181 HydrophobicContact CD1-SD 3.73Å; L47-M181 HydrophobicContact CD2-CG 4.41Å; L47-M181 HydrophobicContact CD2-SD 3.32Å; L47-M181 WeakPolarHBondContact CD2-SD 3.33Å; L47-M181 HydrophobicContact CG-CG 4.03Å; L47-M181 HydrophobicContact CG-SD 3.28Å; L47-M181 WeakPolarHBondContact CG-SD 3.5Å; L47-V344 HydrophobicContact CB-CG2 4.45Å; L47-V344 HydrophobicContact CD2-CG2 4.33Å; L47-I345 WeakPolarHBondContact CA-O 3.33Å; L47-T346 HydrophobicContact CD2-CG2 4.02Å; L47-T346 WeakPolarHBondContact CD2-OG1 3.49Å
48G98.1Very high97.8Very high0 Ų027.2 Ų27.20%015%0.151CC..EExtended strand (participates in β ladder)trans-134179.6170.400000111.7E80 V344 I345G48-E80 CarbonylContact C-O 3.4Å; G48-E80 WeakPolarHBondContact CA-O 3.37Å; G48-V344 CarbonylContact O-C 3.6Å; G48-V344 WeakPolarHBondContact O-CA 3.44Å; G48-I345 PolarHBondContact N-O 3.31Å; G48-I345 PolarHBondContact O-N 3.32Å
49Y98.6Very high97.7Very high2 Ų224.7 Ų24.71%0.00813%0.129CC..EExtended strand (participates in β ladder)trans-126.7124.7-177.5-63.4-89.9000109.3A51 V79 E80 P82 T166 M168 L171 F173 H179 R343 V344Y49-A51 PolarHBondContact O-N 3.32Å; Y49-V79 CarbonylContact O-C 3.31Å; Y49-V79 WeakPolarHBondContact O-CA 3.07Å; Y49-E80 PolarHBondContact N-O 3.44Å; Y49-E80 PolarHBondContact O-N 3.31Å; Y49-P82 HydrophobicContact CD2-CG 4.31Å; Y49-P82 HydrophobicContact CE2-CG 4.16Å; Y49-T166 HydrophobicContact CE2-CG2 3.93Å; Y49-T166 WeakPolarHBondContact OH-CB 3.28Å; Y49-T166 WeakPolarHBondContact OH-CG2 3.44Å; Y49-T166 PolarHBondContact OH-OG1 2.76Å; Y49-M168 HydrophobicContact CE1-SD 4.16Å; Y49-M168 PolarHBondContact OH-SD 2.81Å; Y49-L171 HydrophobicContact CD1-CD1 4.15Å; Y49-L171 HydrophobicContact CD2-CD1 3.32Å; Y49-L171 HydrophobicContact CD2-CD2 4.15Å; Y49-L171 HydrophobicContact CD2-CG 4.37Å; Y49-L171 HydrophobicContact CE1-CD1 4.1Å; Y49-L171 HydrophobicContact CE2-CD1 3.31Å; Y49-L171 HydrophobicContact CG-CD1 3.77Å; Y49-F173 AromaticContact CD1-CE2 3.55Å; Y49-F173 HydrophobicContact CD1-CE2 3.55Å; Y49-F173 HydrophobicContact CD1-CZ 4.27Å; Y49-F173 HydrophobicContact CE1-CE2 4.11Å; Y49-F173 AromaticContact CG-CE2 3.93Å; Y49-F173 HydrophobicContact CG-CE2 3.93Å; Y49-F173 HydrophobicContact CG-CZ 4.34Å; Y49-H179 AromaticContact CE1-CD2 3.96Å; Y49-H179 AromaticContact CZ-CD2 3.95Å; Y49-H179 PolarHBondContact OH-CD2 2.97Å; Y49-R343 WeakPolarHBondContact CA-O 3.42Å; Y49-V344 HydrophobicContact CD1-CB 4.07Å; Y49-V344 HydrophobicContact CE1-CB 3.7Å; Y49-V344 HydrophobicContact CE1-CG2 4.03Å
50K98.5Very high97.5Very high20 Ų2020.6 Ų20.69%0.08711%0.11CC..EExtended strand (participates in β ladder)trans-65.7108.6-179.5-175.6175-177.3178.20109.7T77 I337 G339 K341 K342 R343 I345K50-T77 HydrophobicContact CD-CG2 4.17Å; K50-T77 HydrophobicContact CG-CG2 3.84Å; K50-I337 HydrophobicContact CB-CD1 4.41Å; K50-I337 HydrophobicContact CD-CD1 4.03Å; K50-I337 HydrophobicContact CD-CG1 3.76Å; K50-I337 HydrophobicContact CG-CD1 4.16Å; K50-I337 HydrophobicContact CG-CG1 4.41Å; K50-I337 PolarHBondContact NZ-O 3.39Å; K50-G339 PolarHBondContact NZ-O 3.03Å; K50-G339 VanDerWaalsContact NZ-O 3.13Å; K50-K341 CarbonylContact O-C 3.55Å; K50-K341 WeakPolarHBondContact O-CA 3.42Å; K50-K342 PolarHBondContact O-N 3.22Å; K50-R343 PolarHBondContact N-O 2.97Å; K50-I345 HydrophobicContact CB-CD1 4.29Å; K50-I345 HydrophobicContact CB-CG1 3.97Å
51A98Very high97.1Very high0 Ų020.3 Ų20.30%010%0.099CC..EExtended strand (participates in β ladder)trans-78.3-58.1-179.500000111Y49 I78 F320 Y323 V326Y49-A51 PolarHBondContact O-N 3.32Å; A51-I78 HydrophobicContact CB-CB 4.4Å; A51-I78 HydrophobicContact CB-CG2 4.29Å; A51-I78 PolarHBondContact N-O 2.8Å; A51-F320 HydrophobicContact CB-CD2 4.25Å; A51-Y323 VanDerWaalsContact CA-CD2 3.43Å; A51-Y323 VanDerWaalsContact CA-CE2 3.48Å; A51-Y323 HydrophobicContact CB-CD1 3.82Å; A51-Y323 HydrophobicContact CB-CD2 4.19Å; A51-Y323 HydrophobicContact CB-CE1 3.71Å; A51-Y323 HydrophobicContact CB-CE2 4.04Å; A51-Y323 HydrophobicContact CB-CG 4.05Å; A51-Y323 WeakPolarHBondContact O-CB 3.49Å; A51-V326 HydrophobicContact CB-CG2 3.57Å
52G97.6Very high96.7Very high1 Ų120.7 Ų20.71%0.0110%0.097CC..EExtended strand (participates in β ladder)trans-175.9-161.1-177.300000111.5T77 I78G52-T77 VanDerWaalsContact O-CG2 3.28Å; G52-T77 WeakPolarHBondContact O-CG2 3.49Å; G52-I78 PolarHBondContact O-N 3.28Å
53M98.3Very high96.2Very high71 Ų7123.4 Ų23.435%0.3512%0.118SC..EExtended strand (participates in β ladder)trans-135.4146.9177-66.7-176.764.900108.6A75 V76 T77 C336M53-A75 HydrophobicContact CE-CB 4.49Å; M53-V76 CarbonylContact C-O 3.56Å; M53-V76 WeakPolarHBondContact CA-O 3.38Å; M53-V76 WeakPolarHBondContact CB-O 3.46Å; M53-T77 HydrophobicContact CG-CG2 4.05Å; M53-C336 HydrophobicContact CE-CB 3.95Å; M53-C336 HydrophobicContact SD-CB 4.31Å
54T98.1Very high95.8Very high10 Ų1027.4 Ų27.46%0.06116%0.16CC..EExtended strand (participates in β ladder)trans-138.7-171.9169.4-163.90000108.7V76 I78 I368 D369 K373T54-V76 HydrophobicContact CG2-CG2 3.6Å; T54-V76 PolarHBondContact N-O 2.93Å; T54-V76 PolarHBondContact O-N 3.27Å; T54-V76 VanDerWaalsContact O-O 3.07Å; T54-I78 HydrophobicContact CG2-CD1 4.47Å; T54-I368 HydrophobicContact CG2-CG2 4.21Å; T54-D369 PolarHBondContact OG1-O 3.18Å; T54-K373 WeakPolarHBondContact OG1-CE 3.4Å
55H98.4Very high95.4Very high73 Ų7331.1 Ų31.134%0.33818%0.179SC..EExtended strand (participates in β ladder)trans-122.8157.9169.464-85.1000110.5V73 E74 D369H55-V73 HydrophobicContact CB-CG1 3.92Å; H55-E74 CarbonylContact C-O 3.56Å; H55-E74 VanDerWaalsContact CA-O 3.32Å; H55-E74 WeakPolarHBondContact CA-O 3.26Å; H55-D369 WeakPolarHBondContact CE1-CB 3.03Å; H55-D369 IonicContact CE1-OD2 3.21Å; H55-D369 PolarHBondContact CE1-OD2 3.26Å; H55-D369 IonicContact ND1-OD2 2.57Å; H55-D369 PolarHBondContact ND1-OD2 3.34Å; H55-D369 IonicContact NE2-OD2 3.8Å; H55-D369 WeakPolarHBondContact O-CB 2.93Å; H55-D369 PolarHBondContact O-N 3.29Å; H55-D369 VanDerWaalsContact O-N 3.09Å
56T97.8Very high95.1Very high0 Ų040.4 Ų40.40%022%0.22CC..EExtended strand (participates in β ladder)trans-128.9152.4178.255.70000109.9V73 E74 V76 M332 L365 F367 I368T56-V73 CarbonylContact O-C 3.52Å; T56-V73 WeakPolarHBondContact O-CA 3.48Å; T56-E74 PolarHBondContact N-O 3.06Å; T56-E74 PolarHBondContact O-N 2.68Å; T56-E74 PolarHBondContact OG1-O 3.11Å; T56-V76 HydrophobicContact CG2-CG1 4.01Å; T56-V76 HydrophobicContact CG2-CG2 3.78Å; T56-M332 HydrophobicContact CG2-CE 4.13Å; T56-M332 HydrophobicContact CG2-SD 3.66Å; T56-L365 HydrophobicContact CG2-CD1 4.33Å; T56-F367 CarbonylContact C-O 3.45Å; T56-F367 WeakPolarHBondContact CA-O 3.25Å; T56-F367 WeakPolarHBondContact CB-O 3.33Å; T56-I368 HydrophobicContact CG2-CB 4.45Å; T56-I368 HydrophobicContact CG2-CG1 3.93Å; T56-I368 HydrophobicContact CG2-CG2 4.41Å
57L97.4Very high94.8Very high38 Ų3843.8 Ų43.820%0.19924%0.237CC..EExtended strand (participates in β ladder)trans-102.8135.7166.9-163.271.1000108.5E71 V73 K366 F367L57-E71 HydrophobicContact CD1-CB 3.89Å; L57-E71 HydrophobicContact CD2-CB 4.49Å; L57-E71 WeakPolarHBondContact CD2-OE2 3.4Å; L57-E71 HydrophobicContact CG-CB 4.1Å; L57-V73 HydrophobicContact CD1-CG2 3.55Å; L57-K366 HydrophobicContact CD2-CB 4.47Å; L57-K366 PolarHBondContact O-N 2.87Å; L57-F367 HydrophobicContact CB-CB 3.77Å; L57-F367 HydrophobicContact CB-CD1 4.31Å; L57-F367 HydrophobicContact CD2-CB 4.38Å; L57-F367 PolarHBondContact N-O 2.79Å; L57-F367 PolarHBondContact O-N 2.95Å; L57-F367 VanDerWaalsContact O-N 3.17Å
58R94.9Very high94.5Very high2 Ų245.2 Ų45.21%0.00825%0.247CC..EExtended strand (participates in β ladder)trans-147.4158.216967.4177.7-162.399.111.1110.4E71 E72 E74 E361 E364 L365R58-E71 CarbonylContact O-C 3.25Å; R58-E71 WeakPolarHBondContact O-CA 3.31Å; R58-E72 PolarHBondContact N-O 2.94Å; R58-E72 PolarHBondContact O-N 2.94Å; R58-E74 WeakPolarHBondContact CD-OE2 3.48Å; R58-E74 IonicContact CZ-OE2 3.76Å; R58-E74 IonicContact NE-OE2 3.87Å; R58-E74 PolarHBondContact NE-OE2 3.15Å; R58-E74 IonicContact NH2-OE1 2.68Å; R58-E74 IonicContact NH2-OE2 2.94Å; R58-E361 IonicContact CZ-OE1 3.99Å; R58-E361 IonicContact NH1-OE1 2.89Å; R58-E361 PolarHBondContact NH1-OE1 3.47Å; R58-E361 IonicContact NH1-OE2 3.96Å; R58-E361 IonicContact NH2-OE1 2.85Å; R58-E361 PolarHBondContact NH2-OE1 3.24Å; R58-E361 IonicContact NH2-OE2 2.74Å; R58-E364 VanDerWaalsContact CB-O 3.22Å; R58-E364 WeakPolarHBondContact CB-O 3.22Å; R58-L365 HydrophobicContact CB-CD2 4.22Å
59E94Very high94.1Very high48 Ų4853 Ų5322%0.22428%0.281CS..EExtended strand (participates in β ladder)trans-81.4140.9167.1-167.5170.6150.300110.4H61 K69 K366E59-H61 IonicContact OE1-CE1 3.34Å; E59-H61 PolarHBondContact OE1-CE1 3.34Å; E59-H61 VanDerWaalsContact OE1-CE1 3.23Å; E59-H61 IonicContact OE1-NE2 3.85Å; E59-K69 WeakPolarHBondContact OE1-CA 3.33Å; E59-K366 WeakPolarHBondContact OE2-CE 3.28Å; E59-K366 IonicContact OE2-NZ 2.75Å; E59-K366 PolarHBondContact OE2-NZ 2.89Å
60V93Very high93.9Very high0 Ų060.9 Ų60.90%031%0.31CS..  trans-98.6118.7-179.9-177.80000109.9R62 S68 K69 R70 E72V60-R62 HydrophobicContact CG1-CB 4.1Å; V60-R62 HydrophobicContact CG1-CG 3.88Å; V60-S68 CarbonylContact O-C 3.52Å; V60-S68 WeakPolarHBondContact O-CA 3.45Å; V60-K69 PolarHBondContact O-N 3.11Å; V60-R70 PolarHBondContact N-O 2.8Å; V60-E72 HydrophobicContact CG2-CB 3.59Å; V60-E72 HydrophobicContact CG2-CG 4.49Å; V60-E72 VanDerWaalsContact CG2-OE2 3.24Å; V60-E72 WeakPolarHBondContact CG2-OE2 3.38Å
61H88.8Confident93.8Very high101 Ų10165.1 Ų65.147%0.46833%0.331SS..  trans-104.675.4177.6-62.2-73.4000110.6E59 E361E59-H61 IonicContact OE1-CE1 3.34Å; E59-H61 PolarHBondContact OE1-CE1 3.34Å; E59-H61 VanDerWaalsContact OE1-CE1 3.23Å; E59-H61 IonicContact OE1-NE2 3.85Å; H61-E361 PolarHBondContact N-OE1 3.41Å
62R89.4Confident93.7Very high32 Ų3268 Ų6812%0.12134%0.344CS..  trans-130.995.2179.7-67.8-174.4-167.8139.814.5110.9V60 G64 L65 S68 E361V60-R62 HydrophobicContact CG1-CB 4.1Å; V60-R62 HydrophobicContact CG1-CG 3.88Å; R62-G64 PolarHBondContact O-N 2.85Å; R62-L65 HydrophobicContact CB-CD1 3.62Å; R62-L65 HydrophobicContact CB-CG 3.99Å; R62-L65 HydrophobicContact CG-CD1 4.28Å; R62-L65 PolarHBondContact O-N 3.45Å; R62-S68 PolarHBondContact N-OG 2.91Å; R62-S68 VanDerWaalsContact O-CB 3.26Å; R62-S68 WeakPolarHBondContact O-CB 3.43Å; R62-S68 PolarHBondContact O-OG 3.4Å; R62-E361 IonicContact CZ-OE2 3.96Å; R62-E361 IonicContact NE-OE2 3.72Å; R62-E361 PolarHBondContact NE-OE2 2.97Å; R62-E361 IonicContact NH2-OE2 3.23Å; R62-E361 PolarHBondContact NH2-OE2 2.57Å
63P88.2Confident93.7Very high91 Ų9172.4 Ų72.459%0.59137%0.37SS*.THydrogen-bonded Turntrans-52.9134.1179.7-2633.5000112
64G88.6Confident93.7Very high86 Ų8669.5 Ų69.589%0.88736%0.356SS*.THydrogen-bonded Turntrans91.5-8.6-179.300000115.4R62R62-G64 PolarHBondContact O-N 2.85Å
65L90.6Very high93.7Very high79 Ų7971.6 Ų71.641%0.41437%0.374SS..  trans-88.6141.6171.8-62.5-172.8000111.6R62 I67 S68R62-L65 HydrophobicContact CB-CD1 3.62Å; R62-L65 HydrophobicContact CB-CG 3.99Å; R62-L65 HydrophobicContact CG-CD1 4.28Å; R62-L65 PolarHBondContact O-N 3.45Å; L65-I67 HydrophobicContact CB-CG1 3.9Å; L65-I67 HydrophobicContact CD1-CD1 4.3Å; L65-I67 HydrophobicContact CD1-CG1 4.19Å; L65-I67 PolarHBondContact O-N 3.34Å; L65-I67 VanDerWaalsContact O-N 3.15Å; L65-S68 VanDerWaalsContact O-CB 3.23Å; L65-S68 WeakPolarHBondContact O-CB 3.49Å; L65-S68 PolarHBondContact O-N 3Å
66K92.2Very high93.7Very high195 Ų19568.1 Ų68.185%0.84836%0.358SS*.THydrogen-bonded Turntrans-57.3-27.4172-68.7-175.2178-1750113.5
67I91.9Very high93.8Very high70 Ų7068.1 Ų68.136%0.35936%0.358SS..THydrogen-bonded Turntrans-90.62178.752.6167.7000113.3L65 R70L65-I67 HydrophobicContact CB-CG1 3.9Å; L65-I67 HydrophobicContact CD1-CD1 4.3Å; L65-I67 HydrophobicContact CD1-CG1 4.19Å; L65-I67 PolarHBondContact O-N 3.34Å; L65-I67 VanDerWaalsContact O-N 3.15Å; I67-R70 WeakPolarHBondContact O-CB 3.44Å; I67-R70 PolarHBondContact O-N 3.36Å; I67-R70 VanDerWaalsContact O-N 3.16Å
68S91.7Very high93.8Very high30 Ų3066.3 Ų66.321%0.2135%0.349CS..THydrogen-bonded Turntrans-63.6139.6176.9-165.80000110.6V60 R62 L65 R70V60-S68 CarbonylContact O-C 3.52Å; V60-S68 WeakPolarHBondContact O-CA 3.45Å; R62-S68 PolarHBondContact N-OG 2.91Å; R62-S68 VanDerWaalsContact O-CB 3.26Å; R62-S68 WeakPolarHBondContact O-CB 3.43Å; R62-S68 PolarHBondContact O-OG 3.4Å; L65-S68 VanDerWaalsContact O-CB 3.23Å; L65-S68 WeakPolarHBondContact O-CB 3.49Å; L65-S68 PolarHBondContact O-N 3Å; S68-R70 PolarHBondContact O-N 3.47Å
69K91.2Very high94Very high164 Ų16466.2 Ų66.271%0.71335%0.348SS*.THydrogen-bonded Turntrans57.822.1-173.9-51.5-177.3179.4-176.90113.8E59 V60E59-K69 WeakPolarHBondContact OE1-CA 3.33Å; V60-K69 PolarHBondContact O-N 3.11Å
70R94.1Very high94.2Very high168 Ų16864 Ų6463%0.63434%0.338SS*.SBendtrans-115.7157.4171.2-60.2-173.1180-171.3-1.9109.4V60 I67 S68V60-R70 PolarHBondContact N-O 2.8Å; I67-R70 WeakPolarHBondContact O-CB 3.44Å; I67-R70 PolarHBondContact O-N 3.36Å; I67-R70 VanDerWaalsContact O-N 3.16Å; S68-R70 PolarHBondContact O-N 3.47Å
71E95.6Very high94.5Very high109 Ų10964 Ų6451%0.50934%0.338SS..EExtended strand (participates in β ladder)trans-81.3132.2177.8-57.7-173.7155.200110.4L57 R58 K366L57-E71 HydrophobicContact CD1-CB 3.89Å; L57-E71 HydrophobicContact CD2-CB 4.49Å; L57-E71 WeakPolarHBondContact CD2-OE2 3.4Å; L57-E71 HydrophobicContact CG-CB 4.1Å; R58-E71 CarbonylContact O-C 3.25Å; R58-E71 WeakPolarHBondContact O-CA 3.31Å; E71-K366 HydrophobicContact CG-CD 4.32Å; E71-K366 WeakPolarHBondContact OE1-CD 3.38Å; E71-K366 IonicContact OE1-NZ 3.01Å; E71-K366 PolarHBondContact OE1-NZ 2.9Å
72E95.8Very high94.9Very high61 Ų6159.1 Ų59.129%0.28532%0.315SS..EExtended strand (participates in β ladder)trans-120.5131.8177.1-169.4-179.4-170.800109.2R58 V60 E74R58-E72 PolarHBondContact N-O 2.94Å; R58-E72 PolarHBondContact O-N 2.94Å; V60-E72 HydrophobicContact CG2-CB 3.59Å; V60-E72 HydrophobicContact CG2-CG 4.49Å; V60-E72 VanDerWaalsContact CG2-OE2 3.24Å; V60-E72 WeakPolarHBondContact CG2-OE2 3.38Å; E72-E74 HydrophobicContact CG-CG 3.93Å
73V97.9Very high95.2Very high92 Ų9258.6 Ų58.656%0.55832%0.316SS*.EExtended strand (participates in β ladder)trans-87.5117.2170.9178.40000108.9H55 T56 L57H55-V73 HydrophobicContact CB-CG1 3.92Å; T56-V73 CarbonylContact O-C 3.52Å; T56-V73 WeakPolarHBondContact O-CA 3.48Å; L57-V73 HydrophobicContact CD1-CG2 3.55Å
74E97.9Very high95.7Very high10 Ų1054.3 Ų54.35%0.04729%0.288CS..EExtended strand (participates in β ladder)trans-119.9132.3-179.5-68179.5124.900111H55 T56 R58 E72 Y285 K334H55-E74 CarbonylContact C-O 3.56Å; H55-E74 VanDerWaalsContact CA-O 3.32Å; H55-E74 WeakPolarHBondContact CA-O 3.26Å; T56-E74 PolarHBondContact N-O 3.06Å; T56-E74 PolarHBondContact O-N 2.68Å; T56-E74 PolarHBondContact OG1-O 3.11Å; R58-E74 WeakPolarHBondContact CD-OE2 3.48Å; R58-E74 IonicContact CZ-OE2 3.76Å; R58-E74 IonicContact NE-OE2 3.87Å; R58-E74 PolarHBondContact NE-OE2 3.15Å; R58-E74 IonicContact NH2-OE1 2.68Å; R58-E74 IonicContact NH2-OE2 2.94Å; E72-E74 HydrophobicContact CG-CG 3.93Å; E74-Y285 HydrophobicContact CB-CE2 4.27Å; E74-Y285 PolarHBondContact OE1-OH 2.85Å; E74-Y285 WeakPolarHBondContact OE2-CE2 3.36Å; E74-Y285 PolarHBondContact OE2-OH 2.9Å; E74-K334 WeakPolarHBondContact OE1-CE 3.2Å; E74-K334 IonicContact OE1-NZ 2.65Å; E74-K334 PolarHBondContact OE1-NZ 2.86Å
75A98.4Very high96.2Very high54 Ų5451.1 Ų51.145%0.44625%0.252SS..EExtended strand (participates in β ladder)trans-69.7138.8172.800000110.2M53 G335M53-A75 HydrophobicContact CE-CB 4.49Å; A75-G335 WeakPolarHBondContact O-CA 3.39Å; A75-G335 PolarHBondContact O-N 3.01Å
76V98.6Very high96.5Very high0 Ų047.4 Ų47.40%023%0.232CC..EExtended strand (participates in β ladder)trans-130.5147.5178-63.40000111.1M53 T54 T56 I78 Y285 M332 L333M53-V76 CarbonylContact C-O 3.56Å; M53-V76 WeakPolarHBondContact CA-O 3.38Å; M53-V76 WeakPolarHBondContact CB-O 3.46Å; T54-V76 HydrophobicContact CG2-CG2 3.6Å; T54-V76 PolarHBondContact N-O 2.93Å; T54-V76 PolarHBondContact O-N 3.27Å; T54-V76 VanDerWaalsContact O-O 3.07Å; T56-V76 HydrophobicContact CG2-CG1 4.01Å; T56-V76 HydrophobicContact CG2-CG2 3.78Å; V76-I78 HydrophobicContact CG2-CD1 4.36Å; V76-Y285 HydrophobicContact CG1-CD2 3.66Å; V76-Y285 HydrophobicContact CG1-CE2 4.08Å; V76-Y285 HydrophobicContact CG1-CG 4.41Å; V76-M332 HydrophobicContact CB-CG 3.64Å; V76-M332 HydrophobicContact CB-SD 4.19Å; V76-M332 HydrophobicContact CG1-CG 3.95Å; V76-M332 HydrophobicContact CG1-SD 4.07Å; V76-M332 HydrophobicContact CG2-CE 4.43Å; V76-M332 HydrophobicContact CG2-CG 3.77Å; V76-M332 HydrophobicContact CG2-SD 3.92Å; V76-L333 CarbonylContact C-O 3.48Å; V76-L333 VanDerWaalsContact CA-O 3.27Å; V76-L333 WeakPolarHBondContact CA-O 3.34Å
77T98.8Very high96.8Very high0 Ų038.1 Ų38.10%019%0.192CC..EExtended strand (participates in β ladder)trans-101.9132.3169.9-56.20000110.1K50 G52 M53 V79 L333 G335 I337K50-T77 HydrophobicContact CD-CG2 4.17Å; K50-T77 HydrophobicContact CG-CG2 3.84Å; G52-T77 VanDerWaalsContact O-CG2 3.28Å; G52-T77 WeakPolarHBondContact O-CG2 3.49Å; M53-T77 HydrophobicContact CG-CG2 4.05Å; T77-V79 HydrophobicContact CG2-CG2 4.39Å; T77-L333 PolarHBondContact N-O 2.89Å; T77-L333 PolarHBondContact O-N 2.97Å; T77-G335 PolarHBondContact N-O 2.79Å; T77-G335 PolarHBondContact OG1-O 2.51Å; T77-I337 HydrophobicContact CG2-CD1 3.64Å; T77-I337 HydrophobicContact CG2-CG1 3.85Å
78I98.6Very high97Very high0 Ų034.8 Ų34.80%018%0.175CC..EExtended strand (participates in β ladder)trans-93.2125.1173.4-51.7-53.3000109.3A51 G52 T54 V76 I314 F320 F330 M332A51-I78 HydrophobicContact CB-CB 4.4Å; A51-I78 HydrophobicContact CB-CG2 4.29Å; A51-I78 PolarHBondContact N-O 2.8Å; G52-I78 PolarHBondContact O-N 3.28Å; T54-I78 HydrophobicContact CG2-CD1 4.47Å; V76-I78 HydrophobicContact CG2-CD1 4.36Å; I78-I314 HydrophobicContact CD1-CD1 3.82Å; I78-I314 HydrophobicContact CD1-CG1 3.96Å; I78-I314 HydrophobicContact CG1-CD1 4.22Å; I78-I314 HydrophobicContact CG1-CG1 4.02Å; I78-I314 HydrophobicContact CG2-CG1 4.14Å; I78-F320 HydrophobicContact CB-CE2 4.43Å; I78-F320 HydrophobicContact CB-CZ 4.19Å; I78-F320 HydrophobicContact CG1-CE2 4.37Å; I78-F320 HydrophobicContact CG1-CZ 3.77Å; I78-F320 HydrophobicContact CG2-CE2 4.49Å; I78-F330 HydrophobicContact CG2-CB 4.07Å; I78-F330 HydrophobicContact CG2-CD2 3.94Å; I78-F330 HydrophobicContact CG2-CG 4.14Å; I78-M332 HydrophobicContact CD1-CB 3.97Å; I78-M332 HydrophobicContact CD1-CE 3.87Å; I78-M332 HydrophobicContact CD1-CG 3.77Å
79V98.6Very high97.4Very high0 Ų033.4 Ų33.40%017%0.165CC..EExtended strand (participates in β ladder)trans-117.5109.9176-177.90000108.1Y49 T77 T81 F330 V331 L333 I337Y49-V79 CarbonylContact O-C 3.31Å; Y49-V79 WeakPolarHBondContact O-CA 3.07Å; T77-V79 HydrophobicContact CG2-CG2 4.39Å; V79-T81 HydrophobicContact CG1-CG2 4.28Å; V79-F330 CarbonylContact O-C 3.49Å; V79-F330 VanDerWaalsContact O-CA 3.27Å; V79-F330 WeakPolarHBondContact O-CA 3.35Å; V79-F330 WeakPolarHBondContact O-CB 3.46Å; V79-V331 PolarHBondContact N-O 2.83Å; V79-V331 PolarHBondContact O-N 2.87Å; V79-L333 HydrophobicContact CG2-CD1 3.99Å; V79-I337 HydrophobicContact CG2-CD1 3.52Å
80E98.4Very high97.7Very high1 Ų125.8 Ų25.81%0.00513%0.132CC..EExtended strand (participates in β ladder)trans-73.5131.5175-171.5174.5-159.100109.8G48 Y49 P82 L171 Y323 V326 N327 N328G48-E80 CarbonylContact C-O 3.4Å; G48-E80 WeakPolarHBondContact CA-O 3.37Å; Y49-E80 PolarHBondContact N-O 3.44Å; Y49-E80 PolarHBondContact O-N 3.31Å; E80-P82 WeakPolarHBondContact O-CD 3.46Å; E80-L171 HydrophobicContact CG-CD2 4.06Å; E80-L171 WeakPolarHBondContact OE2-CD2 3.09Å; E80-Y323 WeakPolarHBondContact CB-OH 3.48Å; E80-Y323 WeakPolarHBondContact OE2-CE1 3.39Å; E80-Y323 VanDerWaalsContact OE2-CZ 3.23Å; E80-Y323 PolarHBondContact OE2-OH 2.85Å; E80-V326 HydrophobicContact CB-CG1 4Å; E80-V326 HydrophobicContact CG-CG1 3.83Å; E80-N327 PolarHBondContact OE1-N 3.19Å; E80-N328 HydrophobicContact CG-CB 3.88Å; E80-N328 PolarHBondContact OE1-N 3.2Å; E80-N328 PolarHBondContact OE1-ND2 2.9Å
81T98.1Very high97.9Very high0 Ų017.8 Ų17.80%010%0.102CC..  trans-127.975.1-169.442.20000109.5F46 V79 V207 D329 F330 V331 L347F46-T81 HydrophobicContact CD1-CG2 3.9Å; F46-T81 HydrophobicContact CE1-CG2 3.99Å; V79-T81 HydrophobicContact CG1-CG2 4.28Å; T81-V207 HydrophobicContact CG2-CG2 4.26Å; T81-V207 WeakPolarHBondContact OG1-CG1 3.45Å; T81-D329 CarbonylContact C-O 3.53Å; T81-D329 WeakPolarHBondContact CA-O 3.38Å; T81-D329 PolarHBondContact N-O 3.25Å; T81-D329 VanDerWaalsContact OG1-C 3.26Å; T81-D329 PolarHBondContact OG1-O 2.89Å; T81-F330 WeakPolarHBondContact OG1-CA 3.32Å; T81-V331 HydrophobicContact CG2-CG2 3.98Å; T81-L347 HydrophobicContact CG2-CD1 4.34Å
82P97.4Very high98Very high0 Ų013.9 Ų13.90%08%0.083CC..PPolyproline II helixtrans-58.7146.4172.228-35.2000109.6Y49 E80 L84 L170 L171 N328Y49-P82 HydrophobicContact CD2-CG 4.31Å; Y49-P82 HydrophobicContact CE2-CG 4.16Å; E80-P82 WeakPolarHBondContact O-CD 3.46Å; P82-L84 PolarHBondContact O-N 3.05Å; P82-L170 HydrophobicContact CB-CB 4.25Å; P82-L170 HydrophobicContact CB-CD1 4.18Å; P82-L171 HydrophobicContact CG-CD1 4.2Å; P82-L171 HydrophobicContact CG-CD2 3.96Å; P82-L171 HydrophobicContact CG-CG 4.13Å; P82-N328 HydrophobicContact CB-CB 4.34Å
83P97.5Very high98.1Very high21 Ų2112.3 Ų12.314%0.1368%0.077CC..PPolyproline II helixtrans-56.2138.4-177.512.9-22.3000111.5Q167 L170 Q204P83-Q167 PolarHBondContact O-NE2 2.85Å; P83-L170 HydrophobicContact CG-CD1 4.34Å; P83-Q204 HydrophobicContact CB-CB 4.12Å
84L98.1Very high98.1Very high1 Ų110.4 Ų10.41%0.0057%0.071CC..EExtended strand (participates in β ladder)trans-85.6142176.8-59.1179.3000109.9F46 L47 P82 V164 H165 T166 I183 Q204 V205F46-L84 HydrophobicContact CD1-CD1 4.11Å; F46-L84 HydrophobicContact CD1-CG 4.34Å; F46-L84 HydrophobicContact CD2-CD1 3.48Å; F46-L84 VanDerWaalsContact CD2-CD1 3.48Å; F46-L84 HydrophobicContact CD2-CG 4.06Å; F46-L84 HydrophobicContact CE1-CD1 4.14Å; F46-L84 HydrophobicContact CE1-CD2 4.32Å; F46-L84 HydrophobicContact CE1-CG 3.88Å; F46-L84 HydrophobicContact CE2-CB 4.32Å; F46-L84 HydrophobicContact CE2-CD1 3.57Å; F46-L84 HydrophobicContact CE2-CG 3.62Å; F46-L84 HydrophobicContact CG-CD1 3.78Å; F46-L84 HydrophobicContact CG-CG 4.42Å; F46-L84 HydrophobicContact CZ-CB 4.4Å; F46-L84 HydrophobicContact CZ-CD1 3.92Å; F46-L84 HydrophobicContact CZ-CD2 4.39Å; F46-L84 HydrophobicContact CZ-CG 3.52Å; L47-L84 HydrophobicContact CB-CD2 4.1Å; P82-L84 PolarHBondContact O-N 3.05Å; L84-V164 HydrophobicContact CB-CB 4.28Å; L84-V164 HydrophobicContact CD1-CG2 4.03Å; L84-H165 WeakPolarHBondContact CA-O 3.42Å; L84-T166 HydrophobicContact CD2-CG2 3.53Å; L84-I183 HydrophobicContact CD1-CD1 4.09Å; L84-Q204 CarbonylContact O-C 3.58Å; L84-Q204 WeakPolarHBondContact O-CA 3.43Å; L84-V205 PolarHBondContact N-O 2.69Å; L84-V205 PolarHBondContact O-N 2.89Å
85V98.3Very high98.1Very high19 Ų1912.3 Ų12.312%0.1158%0.083CC..EExtended strand (participates in β ladder)trans-102.3127.6173.5-175.10000108.7V87 V164 H165 Q167 Q204V85-V87 HydrophobicContact CG1-CG1 4.01Å; V85-V164 CarbonylContact O-C 3.51Å; V85-V164 VanDerWaalsContact O-CA 3.24Å; V85-V164 WeakPolarHBondContact O-CA 3.28Å; V85-H165 PolarHBondContact N-O 3.43Å; V85-H165 PolarHBondContact O-N 3.01Å; V85-Q167 HydrophobicContact CG2-CG 3.83Å; V85-Q204 HydrophobicContact CG2-CG 4.29Å
86V98.1Very high98Very high0 Ų016.7 Ų16.70%011%0.107CC..EExtended strand (participates in β ladder)trans-79.2122.6173.1-1780000108.5V162 V164 R200 L201 E202 K203 V205V86-V162 HydrophobicContact CG1-CB 4.07Å; V86-V162 HydrophobicContact CG1-CG1 4.29Å; V86-V164 HydrophobicContact CB-CG1 4.49Å; V86-V164 HydrophobicContact CG2-CG1 4Å; V86-R200 VanDerWaalsContact CB-O 3.29Å; V86-R200 WeakPolarHBondContact CB-O 3.39Å; V86-R200 HydrophobicContact CG2-CB 4.48Å; V86-L201 HydrophobicContact CG1-CD2 4.3Å; V86-E202 WeakPolarHBondContact O-CA 3.44Å; V86-E202 PolarHBondContact O-N 3.41Å; V86-K203 PolarHBondContact N-O 2.87Å; V86-V205 HydrophobicContact CG2-CG2 3.7Å
87V97.5Very high97.9Very high1 Ų128.7 Ų28.71%0.00615%0.153CC..EExtended strand (participates in β ladder)trans-123.91.7-174.7-69.90000113.7V85 F106 A107 L110 I163 H165V85-V87 HydrophobicContact CG1-CG1 4.01Å; V87-F106 CarbonylContact O-C 3.59Å; V87-F106 WeakPolarHBondContact O-CA 3.31Å; V87-F106 WeakPolarHBondContact O-CD1 3.18Å; V87-A107 PolarHBondContact O-N 3.4Å; V87-L110 HydrophobicContact CB-CG 4.44Å; V87-I163 HydrophobicContact CG2-CB 4.37Å; V87-I163 HydrophobicContact CG2-CG2 3.87Å; V87-I163 WeakPolarHBondContact CG2-O 3.38Å; V87-I163 PolarHBondContact N-O 3.22Å; V87-H165 WeakPolarHBondContact CG1-CD2 3.42Å; V87-H165 WeakPolarHBondContact CG1-NE2 3.31Å
88G97.4Very high97.7Very high0 Ų030.5 Ų30.50%017%0.171CC..EExtended strand (participates in β ladder)trans179.4178.1174.900000113.3I105 V162 I163G88-I105 CarbonylContact C-O 3.53Å; G88-I105 WeakPolarHBondContact CA-O 3.47Å; G88-V162 CarbonylContact O-C 3.55Å; G88-V162 WeakPolarHBondContact O-CA 3.41Å; G88-I163 PolarHBondContact N-O 3.13Å; G88-I163 PolarHBondContact O-N 2.83Å
89V98.1Very high97.7Very high0 Ų034.4 Ų34.40%019%0.192CC..EExtended strand (participates in β ladder)trans-136.7140.7178.160.50000109.6T104 I105 F150 M153 I160 R161 A197V89-T104 CarbonylContact O-C 3.56Å; V89-T104 VanDerWaalsContact O-CA 3.31Å; V89-T104 WeakPolarHBondContact O-CA 3.33Å; V89-I105 HydrophobicContact CG1-CB 3.83Å; V89-I105 HydrophobicContact CG1-CD1 4.41Å; V89-I105 PolarHBondContact N-O 2.72Å; V89-I105 PolarHBondContact O-N 3.07Å; V89-F150 HydrophobicContact CG1-CE1 3.88Å; V89-M153 HydrophobicContact CG1-CE 4.29Å; V89-M153 HydrophobicContact CG1-SD 4.1Å; V89-M153 HydrophobicContact CG2-SD 4.33Å; V89-I160 HydrophobicContact CG2-CG2 3.52Å; V89-R161 CarbonylContact C-O 3.25Å; V89-R161 WeakPolarHBondContact CA-O 3.38Å; V89-A197 HydrophobicContact CB-CB 4.16Å; V89-A197 HydrophobicContact CG2-CB 3.88Å
90V98.4Very high97.6Very high4 Ų441.4 Ų41.42%0.02422%0.218CC..EExtended strand (participates in β ladder)trans-122.8123.5175.9-174.10000108Y92 K103 T104 R161 I163V90-Y92 HydrophobicContact CB-CE2 4.03Å; V90-Y92 HydrophobicContact CG1-CD2 4.09Å; V90-Y92 HydrophobicContact CG1-CE2 3.51Å; V90-K103 WeakPolarHBondContact CA-O 3.21Å; V90-T104 HydrophobicContact CG2-CG2 3.84Å; V90-R161 PolarHBondContact N-O 2.88Å; V90-R161 PolarHBondContact O-N 2.8Å; V90-I163 HydrophobicContact CG2-CD1 3.61Å; V90-I163 HydrophobicContact CG2-CG1 3.67Å
91G98.3Very high97.5Very high0 Ų044.5 Ų44.50%024%0.24CC..EExtended strand (participates in β ladder)trans-91.2137.3170.200000111F102 K103 C157G91-F102 PolarHBondContact O-N 2.93Å; G91-K103 PolarHBondContact N-O 2.98Å; G91-C157 VanDerWaalsContact C-SG 3.59Å; G91-C157 WeakPolarHBondContact CA-SG 3.18Å
92Y98.4Very high97.5Very high28 Ų2847.5 Ų47.511%0.1125%0.253CS..EExtended strand (participates in β ladder)trans-116.6126.6174.1-72.9-91.8000110.6V90 L99 R100 C157 K158 V159 R161 E182V90-Y92 HydrophobicContact CB-CE2 4.03Å; V90-Y92 HydrophobicContact CG1-CD2 4.09Å; V90-Y92 HydrophobicContact CG1-CE2 3.51Å; Y92-L99 HydrophobicContact CD1-CB 4.11Å; Y92-R100 WeakPolarHBondContact CA-O 3.45Å; Y92-C157 CarbonylContact O-C 3.55Å; Y92-C157 WeakPolarHBondContact O-CA 3.43Å; Y92-C157 WeakPolarHBondContact O-CB 3.1Å; Y92-K158 PolarHBondContact O-N 2.8Å; Y92-V159 PolarHBondContact N-O 3.4Å; Y92-V159 PolarHBondContact O-N 2.8Å; Y92-R161 HydrophobicContact CD2-CG 4.01Å; Y92-R161 HydrophobicContact CE2-CB 4.25Å; Y92-R161 HydrophobicContact CE2-CG 3.79Å; Y92-E182 PolarHBondContact OH-OE2 3.3Å
93V97.9Very high97.4Very high28 Ų2850.6 Ų50.617%0.1727%0.266CS..EExtended strand (participates in β ladder)trans-93.5141.7172.562.90000109.7T95 L99 R100 F102 Y156V93-T95 HydrophobicContact CG1-CG2 4.15Å; V93-L99 WeakPolarHBondContact O-CA 3.47Å; V93-R100 HydrophobicContact CG1-CB 4.19Å; V93-R100 PolarHBondContact N-O 3.22Å; V93-R100 PolarHBondContact O-N 3.09Å; V93-F102 HydrophobicContact CB-CB 4.36Å; V93-F102 HydrophobicContact CG1-CB 4.23Å; V93-Y156 WeakPolarHBondContact CG2-O 3.37Å
94A97.1Very high97.4Very high52 Ų5252.9 Ų52.943%0.4328%0.28SS..EExtended strand (participates in β ladder)trans-78.6127.217200000109.5L99 K158A94-L99 HydrophobicContact CB-CD2 4.34Å; A94-K158 HydrophobicContact CB-CB 4.26Å; A94-K158 HydrophobicContact CB-CD 3.9Å
95T97.3Very high97.3Very high49 Ų4953 Ų5330%0.30128%0.281SS..EExtended strand (participates in β ladder)trans-124.5163173.871.80000108.7V93 R97 G98 R100V93-T95 HydrophobicContact CG1-CG2 4.15Å; T95-R97 PolarHBondContact O-N 2.92Å; T95-R97 PolarHBondContact OG1-N 3.23Å; T95-G98 WeakPolarHBondContact CB-O 3.39Å; T95-G98 PolarHBondContact N-O 3.3Å; T95-G98 PolarHBondContact O-N 3.42Å; T95-G98 PolarHBondContact OG1-O 2.91Å; T95-R100 HydrophobicContact CG2-CB 4.01Å
96P97.2Very high97.3Very high147 Ų14754.2 Ų54.296%0.95529%0.285SS*.THydrogen-bonded Turntrans-56-25175.6-27.235.7000114
97R95.9Very high97.1Very high252 Ų25254.3 Ų54.395%0.95129%0.285SS*.THydrogen-bonded Turntrans-91.65.5177.5-60.7-176.4-177.4174.51.2113.8T95T95-R97 PolarHBondContact O-N 2.92Å; T95-R97 PolarHBondContact OG1-N 3.23Å
98G95.8Very high97Very high37 Ų3756.5 Ų56.538%0.38130%0.295SS..EExtended strand (participates in β ladder)trans112.1-163.1-177.900000113.7T95T95-G98 WeakPolarHBondContact CB-O 3.39Å; T95-G98 PolarHBondContact N-O 3.3Å; T95-G98 PolarHBondContact O-N 3.42Å; T95-G98 PolarHBondContact OG1-O 2.91Å
99L96.9Very high96.9Very high83 Ų8361.2 Ų61.244%0.43532%0.317SS..EExtended strand (participates in β ladder)trans-78.3124.2-179.3-65.9175.4000111.1Y92 V93 A94 V159Y92-L99 HydrophobicContact CD1-CB 4.11Å; V93-L99 WeakPolarHBondContact O-CA 3.47Å; A94-L99 HydrophobicContact CB-CD2 4.34Å; L99-V159 HydrophobicContact CD1-CG2 4.09Å; L99-V159 HydrophobicContact CD2-CG2 4.29Å
100R97.4Very high96.7Very high146 Ų14662.1 Ų62.155%0.55132%0.322SS*.EExtended strand (participates in β ladder)trans-108.9137.7173.1-171.4177.268.7100.2-3.8109.9Y92 V93 T95 F102Y92-R100 WeakPolarHBondContact CA-O 3.45Å; V93-R100 HydrophobicContact CG1-CB 4.19Å; V93-R100 PolarHBondContact N-O 3.22Å; V93-R100 PolarHBondContact O-N 3.09Å; T95-R100 HydrophobicContact CG2-CB 4.01Å; R100-F102 PolarHBondContact O-N 2.9Å
101S97.3Very high96.5Very high67 Ų6764.3 Ų64.347%0.46934%0.337SS..EExtended strand (participates in β ladder)trans-63.4123.2171.654.10000109.4
102F96.8Very high96.3Very high63 Ų6368 Ų6828%0.27636%0.357SS..EExtended strand (participates in β ladder)trans-92-63.2-177.9179.6-116.8000111.2G91 V93 R100 A152 Y156 C157G91-F102 PolarHBondContact O-N 2.93Å; V93-F102 HydrophobicContact CB-CB 4.36Å; V93-F102 HydrophobicContact CG1-CB 4.23Å; R100-F102 PolarHBondContact O-N 2.9Å; F102-A152 HydrophobicContact CE1-CB 3.86Å; F102-A152 HydrophobicContact CZ-CB 4.3Å; F102-Y156 HydrophobicContact CE1-CD2 4.12Å; F102-Y156 AromaticContact CZ-CD2 3.78Å; F102-Y156 HydrophobicContact CZ-CD2 3.78Å; F102-Y156 HydrophobicContact CZ-CG 4.37Å; F102-C157 VanDerWaalsContact CD1-SG 3.59Å
103K96.4Very high96.2Very high64 Ų6467.2 Ų67.228%0.27835%0.354SS..EExtended strand (participates in β ladder)trans-138.7153.5177.5-74-179.7-178.5-92.40110V90 G91 D149 A152 M153V90-K103 WeakPolarHBondContact CA-O 3.21Å; G91-K103 PolarHBondContact N-O 2.98Å; K103-D149 HydrophobicContact CD-CB 3.99Å; K103-D149 WeakPolarHBondContact CE-OD1 3.37Å; K103-D149 IonicContact NZ-OD1 3.41Å; K103-D149 PolarHBondContact NZ-OD1 3.38Å; K103-A152 HydrophobicContact CD-CB 4.41Å; K103-M153 HydrophobicContact CB-CE 3.51Å; K103-M153 HydrophobicContact CB-CG 4.42Å; K103-M153 VanDerWaalsContact O-CE 3.28Å; K103-M153 WeakPolarHBondContact O-CE 3.36Å
104T97.1Very high96.1Very high69 Ų6965.9 Ų65.942%0.42335%0.346SS..EExtended strand (participates in β ladder)trans-129.4124.2172.4-57.30000108.5V89 V90 F106 I163V89-T104 CarbonylContact O-C 3.56Å; V89-T104 VanDerWaalsContact O-CA 3.31Å; V89-T104 WeakPolarHBondContact O-CA 3.33Å; V90-T104 HydrophobicContact CG2-CG2 3.84Å; T104-F106 HydrophobicContact CG2-CD2 3.91Å; T104-F106 HydrophobicContact CG2-CE2 3.4Å; T104-F106 HydrophobicContact CG2-CZ 3.94Å; T104-I163 HydrophobicContact CG2-CD1 3.71Å
105I96.6Very high96Very high5 Ų565.4 Ų65.43%0.02633%0.333CS..EExtended strand (participates in β ladder)trans-113130.5175.4-61.5164.8000107.1G88 V89 W137 L146 D149 F150 M153G88-I105 CarbonylContact C-O 3.53Å; G88-I105 WeakPolarHBondContact CA-O 3.47Å; V89-I105 HydrophobicContact CG1-CB 3.83Å; V89-I105 HydrophobicContact CG1-CD1 4.41Å; V89-I105 PolarHBondContact N-O 2.72Å; V89-I105 PolarHBondContact O-N 3.07Å; I105-W137 HydrophobicContact CG2-CZ2 3.85Å; I105-L146 HydrophobicContact CG1-CD2 4.47Å; I105-L146 HydrophobicContact CG2-CD2 3.67Å; I105-D149 HydrophobicContact CD1-CB 3.75Å; I105-D149 HydrophobicContact CG1-CB 4.16Å; I105-F150 HydrophobicContact CB-CZ 4.44Å; I105-F150 HydrophobicContact CD1-CD1 3.58Å; I105-F150 HydrophobicContact CD1-CD2 4.02Å; I105-F150 HydrophobicContact CD1-CE1 3.61Å; I105-F150 HydrophobicContact CD1-CE2 4Å; I105-F150 HydrophobicContact CD1-CG 3.8Å; I105-F150 HydrophobicContact CD1-CZ 3.81Å; I105-F150 HydrophobicContact CG2-CE1 4.41Å; I105-F150 HydrophobicContact CG2-CE2 4.25Å; I105-F150 HydrophobicContact CG2-CZ 3.8Å; I105-M153 HydrophobicContact CB-CE 4.36Å; I105-M153 HydrophobicContact CD1-CE 3.56Å; I105-M153 HydrophobicContact CD1-SD 3.96Å; I105-M153 HydrophobicContact CG1-CE 3.65Å
106F96.5Very high96Very high44 Ų4465.2 Ų65.219%0.19333%0.327CS..EExtended strand (participates in β ladder)trans-102.7155.6173.6-75.5-88.7000109.9V87 T104 L110 F130 W137 I163V87-F106 CarbonylContact O-C 3.59Å; V87-F106 WeakPolarHBondContact O-CA 3.31Å; V87-F106 WeakPolarHBondContact O-CD1 3.18Å; T104-F106 HydrophobicContact CG2-CD2 3.91Å; T104-F106 HydrophobicContact CG2-CE2 3.4Å; T104-F106 HydrophobicContact CG2-CZ 3.94Å; F106-L110 HydrophobicContact CB-CD1 4.39Å; F106-L110 HydrophobicContact CD1-CD2 4.17Å; F106-F130 HydrophobicContact CB-CD1 4.21Å; F106-F130 HydrophobicContact CB-CE1 4.32Å; F106-F130 HydrophobicContact CD1-CD1 4.17Å; F106-F130 AromaticContact CD1-CE1 3.61Å; F106-F130 HydrophobicContact CD1-CE1 3.61Å; F106-F130 HydrophobicContact CD1-CZ 4.18Å; F106-F130 HydrophobicContact CD2-CD1 4.11Å; F106-F130 AromaticContact CD2-CE1 3.48Å; F106-F130 HydrophobicContact CD2-CE1 3.48Å; F106-F130 VanDerWaalsContact CD2-CE1 3.48Å; F106-F130 HydrophobicContact CD2-CZ 4.48Å; F106-F130 AromaticContact CE1-CE1 3.64Å; F106-F130 HydrophobicContact CE1-CE1 3.64Å; F106-F130 AromaticContact CE1-CZ 3.82Å; F106-F130 HydrophobicContact CE1-CZ 3.82Å; F106-F130 AromaticContact CE2-CE1 3.51Å; F106-F130 HydrophobicContact CE2-CE1 3.51Å; F106-F130 HydrophobicContact CE2-CZ 4.14Å; F106-F130 AromaticContact CG-CD1 3.9Å; F106-F130 HydrophobicContact CG-CD1 3.9Å; F106-F130 AromaticContact CG-CE1 3.52Å; F106-F130 HydrophobicContact CG-CE1 3.52Å; F106-F130 HydrophobicContact CG-CZ 4.48Å; F106-F130 AromaticContact CZ-CE1 3.59Å; F106-F130 HydrophobicContact CZ-CE1 3.59Å; F106-F130 AromaticContact CZ-CZ 3.79Å; F106-F130 HydrophobicContact CZ-CZ 3.79Å; F106-W137 PolarHBondContact O-NE1 3.18Å; F106-I163 HydrophobicContact CE1-CD1 3.73Å; F106-I163 HydrophobicContact CE2-CD1 4.45Å; F106-I163 HydrophobicContact CZ-CD1 3.71Å
107A95.6Very high95.9Very high1 Ų163.3 Ų63.31%0.00830%0.301CS..  trans-62.2166.5174.500000112.7V87 L110 L201 E202V87-A107 PolarHBondContact O-N 3.4Å; A107-L110 HydrophobicContact CB-CD1 4.32Å; A107-L110 VanDerWaalsContact O-CD1 3.28Å; A107-L110 WeakPolarHBondContact O-CD1 2.97Å; A107-L201 HydrophobicContact CB-CB 4.36Å; A107-L201 HydrophobicContact CB-CD2 4.25Å; A107-E202 HydrophobicContact CB-CG 3.59Å
108E94.8Very high95.9Very high47 Ų4756 Ų5622%0.2228%0.276CS..SBendtrans-69.4-46.6176.1179.4170.4178.700110.3C134 W137 R138 E202E108-C134 WeakPolarHBondContact O-CB 3.47Å; E108-C134 PolarHBondContact O-SG 2.69Å; E108-W137 HydrophobicContact CB-CB 3.7Å; E108-W137 HydrophobicContact CB-CD2 4.27Å; E108-W137 HydrophobicContact CB-CG 3.68Å; E108-W137 HydrophobicContact CG-CB 3.69Å; E108-W137 HydrophobicContact CG-CG 4.2Å; E108-R138 WeakPolarHBondContact OE1-CG 3.3Å; E108-R138 IonicContact OE1-CZ 3.79Å; E108-R138 IonicContact OE1-NE 3.96Å; E108-R138 PolarHBondContact OE1-NE 3.47Å; E108-R138 IonicContact OE1-NH2 2.94Å; E108-E202 WeakPolarHBondContact CA-OE1 3.46Å; E108-E202 WeakPolarHBondContact CB-OE1 3.32Å; E108-E202 PolarHBondContact N-OE1 2.96Å
109H94.3Very high95.9Very high99 Ų9956.4 Ų56.446%0.45827%0.266SS..  trans-108.4118.9-177.4-59.6-74.7000110.9E202H109-E202 IonicContact CD2-OE1 2.82Å; H109-E202 IonicContact CD2-OE2 2.58Å; H109-E202 PolarHBondContact CD2-OE2 2.93Å; H109-E202 IonicContact CG-OE2 3.91Å; H109-E202 PolarHBondContact N-OE1 3.3Å
110L94.5Very high95.8Very high20 Ų2062 Ų6211%0.10529%0.287CS..  trans-112.4125.1172.8-82.679.4000110.2V87 F106 A107 R115 F130V87-L110 HydrophobicContact CB-CG 4.44Å; F106-L110 HydrophobicContact CB-CD1 4.39Å; F106-L110 HydrophobicContact CD1-CD2 4.17Å; A107-L110 HydrophobicContact CB-CD1 4.32Å; A107-L110 VanDerWaalsContact O-CD1 3.28Å; A107-L110 WeakPolarHBondContact O-CD1 2.97Å; L110-R115 HydrophobicContact CB-CG 4.04Å; L110-R115 WeakPolarHBondContact O-CD 2.75Å; L110-F130 HydrophobicContact CD2-CB 4.3Å; L110-F130 HydrophobicContact CD2-CD1 4.05Å; L110-F130 HydrophobicContact CD2-CD2 3.79Å; L110-F130 HydrophobicContact CD2-CE1 4.41Å; L110-F130 HydrophobicContact CD2-CE2 4.18Å; L110-F130 HydrophobicContact CD2-CG 3.74Å; L110-F130 HydrophobicContact CD2-CZ 4.47Å
111S94.6Very high95.7Very high49 Ų4960.1 Ų60.134%0.34329%0.288SS..  trans-58.4147.917471.20000112E113 C114 R115 H165S111-E113 PolarHBondContact O-N 2.74Å; S111-C114 WeakPolarHBondContact O-CB 3.22Å; S111-C114 PolarHBondContact O-N 3.15Å; S111-C114 WeakPolarHBondContact OG-CB 3.19Å; S111-C114 PolarHBondContact OG-N 2.89Å; S111-R115 WeakPolarHBondContact O-CG 3.47Å; S111-R115 PolarHBondContact O-N 2.87Å; S111-H165 PolarHBondContact OG-CE1 3.37Å; S111-H165 PolarHBondContact OG-NE2 2.76Å; S111-H165 VanDerWaalsContact OG-NE2 3.15Å
112D94.4Very high95.6Very high78 Ų7857.6 Ų57.642%0.41727%0.269SS..Hα-helixtrans-60.3-28.9176.8-91.1-2.1000113.1C114 R115 R116 W122D112-C114 VanDerWaalsContact C-N 3.32Å; D112-C114 PolarHBondContact O-N 3.2Å; D112-R115 PolarHBondContact O-N 3.09Å; D112-R115 IonicContact OD1-CZ 3.23Å; D112-R115 IonicContact OD1-NH1 3.54Å; D112-R115 PolarHBondContact OD1-NH1 2.78Å; D112-R116 WeakPolarHBondContact O-CB 3.36Å; D112-R116 VanDerWaalsContact O-CG 3.24Å; D112-R116 WeakPolarHBondContact O-CG 3.49Å; D112-R116 PolarHBondContact O-N 2.87Å; D112-W122 HydrophobicContact CB-CH2 4.23Å; D112-W122 HydrophobicContact CB-CZ2 4.07Å
113E94.9Very high95.5Very high11 Ų1161.9 Ų61.95%0.05129%0.289CS..Hα-helixtrans-63.7-39.2174.5-55.5-165144.900112.5S111 Q167 M168 K169 A178S111-E113 PolarHBondContact O-N 2.74Å; E113-Q167 WeakPolarHBondContact OE2-CA 3.5Å; E113-M168 PolarHBondContact OE2-N 2.82Å; E113-K169 HydrophobicContact CG-CD 4.35Å; E113-K169 WeakPolarHBondContact OE1-CB 3.25Å; E113-K169 WeakPolarHBondContact OE1-CD 3.1Å; E113-K169 WeakPolarHBondContact OE1-CG 3.26Å; E113-K169 PolarHBondContact OE1-N 2.95Å; E113-A178 HydrophobicContact CB-CB 3.98Å; E113-A178 WeakPolarHBondContact O-CB 3.45Å; E113-A178 PolarHBondContact O-N 3.39Å
114C95.9Very high95.5Very high0 Ų068.1 Ų68.10%032%0.316CS..Hα-helixtrans-67.7-47.7173.9-173.90000110.4S111 D112 R116 R117 F118 I180S111-C114 WeakPolarHBondContact O-CB 3.22Å; S111-C114 PolarHBondContact O-N 3.15Å; S111-C114 WeakPolarHBondContact OG-CB 3.19Å; S111-C114 PolarHBondContact OG-N 2.89Å; D112-C114 VanDerWaalsContact C-N 3.32Å; D112-C114 PolarHBondContact O-N 3.2Å; C114-R116 VanDerWaalsContact C-N 3.28Å; C114-R116 PolarHBondContact O-N 3.46Å; C114-R117 WeakPolarHBondContact O-CB 3.41Å; C114-R117 PolarHBondContact O-N 3.42Å; C114-F118 WeakPolarHBondContact O-CD2 3.45Å; C114-I180 WeakPolarHBondContact SG-CD1 3.45Å
115R96Very high95.4Very high42 Ų4266.3 Ų66.316%0.15831%0.307CS..Hα-helixtrans-61.5-34.9179.6-63.2172.273.5-148.110.2112.4L110 S111 D112 R117 F118 Y119 W122 K127 A129L110-R115 HydrophobicContact CB-CG 4.04Å; L110-R115 WeakPolarHBondContact O-CD 2.75Å; S111-R115 WeakPolarHBondContact O-CG 3.47Å; S111-R115 PolarHBondContact O-N 2.87Å; D112-R115 PolarHBondContact O-N 3.09Å; D112-R115 IonicContact OD1-CZ 3.23Å; D112-R115 IonicContact OD1-NH1 3.54Å; D112-R115 PolarHBondContact OD1-NH1 2.78Å; R115-R117 PolarHBondContact O-N 3.07Å; R115-F118 PolarHBondContact O-N 3.16Å; R115-Y119 WeakPolarHBondContact O-CD2 3.48Å; R115-W122 HydrophobicContact CB-CH2 3.87Å; R115-W122 HydrophobicContact CB-CZ3 3.78Å; R115-K127 PolarHBondContact NH2-O 3.3Å; R115-A129 PolarHBondContact NE-O 3.25Å; R115-A129 VanDerWaalsContact NE-O 3.16Å; R115-A129 PolarHBondContact NH2-O 3.34Å; R115-A129 VanDerWaalsContact NH2-O 3.15Å
116R96.5Very high95.3Very high45 Ų4574.8 Ų74.817%0.1734%0.343CS..G310 helixtrans-54.6-23.1170.9-80.6171.5-178.2-912.9112.9D112 C114 F118 Y119 W122 K177D112-R116 WeakPolarHBondContact O-CB 3.36Å; D112-R116 VanDerWaalsContact O-CG 3.24Å; D112-R116 WeakPolarHBondContact O-CG 3.49Å; D112-R116 PolarHBondContact O-N 2.87Å; C114-R116 VanDerWaalsContact C-N 3.28Å; C114-R116 PolarHBondContact O-N 3.46Å; R116-F118 PolarHBondContact O-N 3.32Å; R116-Y119 PolarHBondContact O-N 2.86Å; R116-Y119 VanDerWaalsContact O-O 3.06Å; R116-W122 HydrophobicContact CB-CD2 4.49Å; R116-W122 HydrophobicContact CB-CE3 4.11Å; R116-W122 HydrophobicContact CB-CZ3 4.45Å; R116-W122 HydrophobicContact CG-CB 4.28Å; R116-W122 HydrophobicContact CG-CD2 3.38Å; R116-W122 HydrophobicContact CG-CE3 3.42Å; R116-W122 VanDerWaalsContact CG-CE3 3.42Å; R116-W122 HydrophobicContact CG-CG 3.79Å; R116-W122 HydrophobicContact CG-CH2 4.27Å; R116-W122 HydrophobicContact CG-CZ2 4.27Å; R116-W122 HydrophobicContact CG-CZ3 3.88Å; R116-W122 VanDerWaalsContact NH1-CD1 3.32Å; R116-W122 VanDerWaalsContact NH2-CD1 3.3Å; R116-K177 HydrophobicContact CB-CB 4.29Å; R116-K177 HydrophobicContact CB-CG 4.2Å; R116-K177 WeakPolarHBondContact O-CE 3.34Å; R116-K177 PolarHBondContact O-NZ 3.19Å
117R95.4Very high95.3Very high108 Ų10876.8 Ų76.841%0.40835%0.352SS..G310 helixtrans-60.8-33.4177.5-165.658.7-178.5-178.812.7112.8C114 R115 A178 I180C114-R117 WeakPolarHBondContact O-CB 3.41Å; C114-R117 PolarHBondContact O-N 3.42Å; R115-R117 PolarHBondContact O-N 3.07Å; R117-A178 WeakPolarHBondContact CD-O 3.14Å; R117-I180 HydrophobicContact CB-CD1 3.44Å; R117-I180 VanDerWaalsContact CB-CD1 3.44Å; R117-I180 HydrophobicContact CB-CG1 3.99Å; R117-I180 HydrophobicContact CG-CB 4.42Å; R117-I180 HydrophobicContact CG-CD1 3.67Å; R117-I180 HydrophobicContact CG-CG1 3.91Å
118F96.2Very high95.2Very high98 Ų9883.4 Ų83.443%0.4338%0.38SS..G310 helixtrans-89.7-2.9-172.7-57.5-88.5000113.5C114 R115 R116 A129 F130 I180C114-F118 WeakPolarHBondContact O-CD2 3.45Å; R115-F118 PolarHBondContact O-N 3.16Å; R116-F118 PolarHBondContact O-N 3.32Å; F118-A129 HydrophobicContact CB-CB 4.3Å; F118-F130 AromaticContact CD1-CE2 3.95Å; F118-F130 HydrophobicContact CD1-CE2 3.95Å; F118-F130 HydrophobicContact CD1-CZ 4.21Å; F118-F130 HydrophobicContact CD2-CD2 4.39Å; F118-F130 AromaticContact CD2-CE2 3.5Å; F118-F130 HydrophobicContact CD2-CE2 3.5Å; F118-F130 HydrophobicContact CD2-CZ 4.33Å; F118-F130 AromaticContact CE1-CE2 3.77Å; F118-F130 HydrophobicContact CE1-CE2 3.77Å; F118-F130 AromaticContact CE1-CZ 3.65Å; F118-F130 HydrophobicContact CE1-CZ 3.65Å; F118-F130 HydrophobicContact CE2-CD2 4.34Å; F118-F130 AromaticContact CE2-CE2 3.3Å; F118-F130 HydrophobicContact CE2-CE2 3.3Å; F118-F130 AromaticContact CE2-CZ 3.79Å; F118-F130 HydrophobicContact CE2-CZ 3.79Å; F118-F130 AromaticContact CG-CE2 3.82Å; F118-F130 HydrophobicContact CG-CE2 3.82Å; F118-F130 AromaticContact CZ-CE2 3.44Å; F118-F130 HydrophobicContact CZ-CE2 3.44Å; F118-F130 VanDerWaalsContact CZ-CE2 3.44Å; F118-F130 AromaticContact CZ-CZ 3.41Å; F118-F130 HydrophobicContact CZ-CZ 3.41Å; F118-F130 VanDerWaalsContact CZ-CZ 3.41Å; F118-I180 HydrophobicContact CE2-CD1 3.6Å; F118-I180 HydrophobicContact CZ-CD1 3.86Å
119Y96.6Very high95.2Very high45 Ų4581.9 Ų81.918%0.17638%0.376CS..  trans-115.9139.8174.5-65.4-75.3000110.7R115 R116 W122 S125 K128 A129 K177R115-Y119 WeakPolarHBondContact O-CD2 3.48Å; R116-Y119 PolarHBondContact O-N 2.86Å; R116-Y119 VanDerWaalsContact O-O 3.06Å; Y119-W122 AromaticContact CD2-CE3 3.54Å; Y119-W122 HydrophobicContact CD2-CE3 3.54Å; Y119-W122 AromaticContact CD2-CZ3 3.63Å; Y119-W122 HydrophobicContact CD2-CZ3 3.63Å; Y119-W122 HydrophobicContact CE2-CE3 4.24Å; Y119-W122 AromaticContact CE2-CZ3 3.95Å; Y119-W122 HydrophobicContact CE2-CZ3 3.95Å; Y119-W122 HydrophobicContact CG-CE3 4.19Å; Y119-S125 WeakPolarHBondContact CD1-OG 3.32Å; Y119-K128 PolarHBondContact OH-N 2.86Å; Y119-A129 HydrophobicContact CE2-CB 3.52Å; Y119-A129 WeakPolarHBondContact OH-CB 3.23Å; Y119-A129 PolarHBondContact OH-N 2.65Å; Y119-K177 PolarHBondContact O-NZ 3.01Å
120K94.3Very high95.2Very high200 Ų20079 Ų7987%0.8736%0.362SS*.SBendtrans-76.6-53.6162.9-69.1-176.5-177.4174.40108.8
121D95.3Very high95.1Very high107 Ų10780.8 Ų80.857%0.57237%0.374SS*.SBendtrans-109.787.7-179-58.8-40.7000111.7H123 K124 S125D121-H123 VanDerWaalsContact C-N 3.33Å; D121-H123 PolarHBondContact O-N 2.95Å; D121-K124 HydrophobicContact CB-CB 4.45Å; D121-S125 WeakPolarHBondContact O-CB 3.23Å; D121-S125 PolarHBondContact O-N 3.16Å; D121-S125 PolarHBondContact O-OG 3.23Å
122W95.5Very high94.9Very high15 Ų1586.9 Ų86.96%0.05739%0.394CS..THydrogen-bonded Turntrans-59.2-40.1-176.9176.3-96.9000113.7D112 R115 R116 Y119 S125 K127D112-W122 HydrophobicContact CB-CH2 4.23Å; D112-W122 HydrophobicContact CB-CZ2 4.07Å; R115-W122 HydrophobicContact CB-CH2 3.87Å; R115-W122 HydrophobicContact CB-CZ3 3.78Å; R116-W122 HydrophobicContact CB-CD2 4.49Å; R116-W122 HydrophobicContact CB-CE3 4.11Å; R116-W122 HydrophobicContact CB-CZ3 4.45Å; R116-W122 HydrophobicContact CG-CB 4.28Å; R116-W122 HydrophobicContact CG-CD2 3.38Å; R116-W122 HydrophobicContact CG-CE3 3.42Å; R116-W122 VanDerWaalsContact CG-CE3 3.42Å; R116-W122 HydrophobicContact CG-CG 3.79Å; R116-W122 HydrophobicContact CG-CH2 4.27Å; R116-W122 HydrophobicContact CG-CZ2 4.27Å; R116-W122 HydrophobicContact CG-CZ3 3.88Å; R116-W122 VanDerWaalsContact NH1-CD1 3.32Å; R116-W122 VanDerWaalsContact NH2-CD1 3.3Å; Y119-W122 AromaticContact CD2-CE3 3.54Å; Y119-W122 HydrophobicContact CD2-CE3 3.54Å; Y119-W122 AromaticContact CD2-CZ3 3.63Å; Y119-W122 HydrophobicContact CD2-CZ3 3.63Å; Y119-W122 HydrophobicContact CE2-CE3 4.24Å; Y119-W122 AromaticContact CE2-CZ3 3.95Å; Y119-W122 HydrophobicContact CE2-CZ3 3.95Å; Y119-W122 HydrophobicContact CG-CE3 4.19Å; W122-S125 PolarHBondContact O-N 3.38Å; W122-K127 HydrophobicContact CD2-CG 4.19Å; W122-K127 HydrophobicContact CE3-CG 4.24Å; W122-K127 HydrophobicContact CH2-CB 4.27Å; W122-K127 HydrophobicContact CH2-CD 4.38Å; W122-K127 HydrophobicContact CH2-CG 3.99Å; W122-K127 HydrophobicContact CZ2-CD 3.83Å; W122-K127 HydrophobicContact CZ2-CG 3.89Å; W122-K127 HydrophobicContact CZ3-CB 4.49Å; W122-K127 HydrophobicContact CZ3-CG 4.15Å
123H93.9Very high94.7Very high152 Ų15284.8 Ų84.870%0.70439%0.388SS*.THydrogen-bonded Turntrans-73.9-32.7-172.3-69.7-88.7000113.2D121 S125D121-H123 VanDerWaalsContact C-N 3.33Å; D121-H123 PolarHBondContact O-N 2.95Å; H123-S125 VanDerWaalsContact C-N 3.35Å
124K95.9Very high94.5Very high195 Ų19585.5 Ų85.585%0.84839%0.394SS*.THydrogen-bonded Turntrans-84.3-11.1177.1-62.1-174.7177.5-174.30113.2D121D121-K124 HydrophobicContact CB-CB 4.45Å
125S95.6Very high94.3Very high32 Ų3291.7 Ų91.722%0.22442%0.421CS..SBendtrans-86.3147-175.7-64.70000111.6Y119 D121 W122 H123 K127Y119-S125 WeakPolarHBondContact CD1-OG 3.32Å; D121-S125 WeakPolarHBondContact O-CB 3.23Å; D121-S125 PolarHBondContact O-N 3.16Å; D121-S125 PolarHBondContact O-OG 3.23Å; W122-S125 PolarHBondContact O-N 3.38Å; H123-S125 VanDerWaalsContact C-N 3.35Å; S125-K127 PolarHBondContact O-N 3.45Å
126K95.2Very high94.2Very high183 Ų18393.9 Ų93.980%0.79643%0.429SS*.  trans-68.51170.5-62-174.2179.7-177.30114.1K128K126-K128 VanDerWaalsContact C-N 3.35Å; K126-K128 HydrophobicContact CB-CG 4.17Å; K126-K128 PolarHBondContact O-N 3.38Å
127K95.1Very high94Very high86 Ų8693.9 Ų93.937%0.37443%0.429SS..  trans47.550.3177.8-56155.8-163.3165.70112.7R115 W122 S125R115-K127 PolarHBondContact NH2-O 3.3Å; W122-K127 HydrophobicContact CD2-CG 4.19Å; W122-K127 HydrophobicContact CE3-CG 4.24Å; W122-K127 HydrophobicContact CH2-CB 4.27Å; W122-K127 HydrophobicContact CH2-CD 4.38Å; W122-K127 HydrophobicContact CH2-CG 3.99Å; W122-K127 HydrophobicContact CZ2-CD 3.83Å; W122-K127 HydrophobicContact CZ2-CG 3.89Å; W122-K127 HydrophobicContact CZ3-CB 4.49Å; W122-K127 HydrophobicContact CZ3-CG 4.15Å; S125-K127 PolarHBondContact O-N 3.45Å
128K95Very high93.8Very high139 Ų13996 Ų9660%0.60444%0.437SS*.  trans-92.45.4178.2-65.8-169.1175.3-173.10115Y119 K126 F130 T131Y119-K128 PolarHBondContact OH-N 2.86Å; K126-K128 VanDerWaalsContact C-N 3.35Å; K126-K128 HydrophobicContact CB-CG 4.17Å; K126-K128 PolarHBondContact O-N 3.38Å; K128-F130 PolarHBondContact O-N 3.19Å; K128-T131 WeakPolarHBondContact O-CG2 3.02Å; K128-T131 PolarHBondContact O-N 2.82Å; K128-T131 PolarHBondContact O-OG1 2.77Å
129A93.3Very high93.7Very high16 Ų1695.5 Ų95.513%0.13244%0.439CS..THydrogen-bonded Turntrans-61.9134179.800000110.2R115 F118 Y119 T131R115-A129 PolarHBondContact NE-O 3.25Å; R115-A129 VanDerWaalsContact NE-O 3.16Å; R115-A129 PolarHBondContact NH2-O 3.34Å; R115-A129 VanDerWaalsContact NH2-O 3.15Å; F118-A129 HydrophobicContact CB-CB 4.3Å; Y119-A129 HydrophobicContact CE2-CB 3.52Å; Y119-A129 WeakPolarHBondContact OH-CB 3.23Å; Y119-A129 PolarHBondContact OH-N 2.65Å; A129-T131 PolarHBondContact O-N 2.87Å
130F94.6Very high93.6Very high38 Ų3898.3 Ų98.317%0.16746%0.461CS..THydrogen-bonded Turntrans65.4-0-179.6-61.7-84.1000117.1F106 L110 F118 K128 K132 A133 C134F106-F130 HydrophobicContact CB-CD1 4.21Å; F106-F130 HydrophobicContact CB-CE1 4.32Å; F106-F130 HydrophobicContact CD1-CD1 4.17Å; F106-F130 AromaticContact CD1-CE1 3.61Å; F106-F130 HydrophobicContact CD1-CE1 3.61Å; F106-F130 HydrophobicContact CD1-CZ 4.18Å; F106-F130 HydrophobicContact CD2-CD1 4.11Å; F106-F130 AromaticContact CD2-CE1 3.48Å; F106-F130 HydrophobicContact CD2-CE1 3.48Å; F106-F130 VanDerWaalsContact CD2-CE1 3.48Å; F106-F130 HydrophobicContact CD2-CZ 4.48Å; F106-F130 AromaticContact CE1-CE1 3.64Å; F106-F130 HydrophobicContact CE1-CE1 3.64Å; F106-F130 AromaticContact CE1-CZ 3.82Å; F106-F130 HydrophobicContact CE1-CZ 3.82Å; F106-F130 AromaticContact CE2-CE1 3.51Å; F106-F130 HydrophobicContact CE2-CE1 3.51Å; F106-F130 HydrophobicContact CE2-CZ 4.14Å; F106-F130 AromaticContact CG-CD1 3.9Å; F106-F130 HydrophobicContact CG-CD1 3.9Å; F106-F130 AromaticContact CG-CE1 3.52Å; F106-F130 HydrophobicContact CG-CE1 3.52Å; F106-F130 HydrophobicContact CG-CZ 4.48Å; F106-F130 AromaticContact CZ-CE1 3.59Å; F106-F130 HydrophobicContact CZ-CE1 3.59Å; F106-F130 AromaticContact CZ-CZ 3.79Å; F106-F130 HydrophobicContact CZ-CZ 3.79Å; L110-F130 HydrophobicContact CD2-CB 4.3Å; L110-F130 HydrophobicContact CD2-CD1 4.05Å; L110-F130 HydrophobicContact CD2-CD2 3.79Å; L110-F130 HydrophobicContact CD2-CE1 4.41Å; L110-F130 HydrophobicContact CD2-CE2 4.18Å; L110-F130 HydrophobicContact CD2-CG 3.74Å; L110-F130 HydrophobicContact CD2-CZ 4.47Å; F118-F130 AromaticContact CD1-CE2 3.95Å; F118-F130 HydrophobicContact CD1-CE2 3.95Å; F118-F130 HydrophobicContact CD1-CZ 4.21Å; F118-F130 HydrophobicContact CD2-CD2 4.39Å; F118-F130 AromaticContact CD2-CE2 3.5Å; F118-F130 HydrophobicContact CD2-CE2 3.5Å; F118-F130 HydrophobicContact CD2-CZ 4.33Å; F118-F130 AromaticContact CE1-CE2 3.77Å; F118-F130 HydrophobicContact CE1-CE2 3.77Å; F118-F130 AromaticContact CE1-CZ 3.65Å; F118-F130 HydrophobicContact CE1-CZ 3.65Å; F118-F130 HydrophobicContact CE2-CD2 4.34Å; F118-F130 AromaticContact CE2-CE2 3.3Å; F118-F130 HydrophobicContact CE2-CE2 3.3Å; F118-F130 AromaticContact CE2-CZ 3.79Å; F118-F130 HydrophobicContact CE2-CZ 3.79Å; F118-F130 AromaticContact CG-CE2 3.82Å; F118-F130 HydrophobicContact CG-CE2 3.82Å; F118-F130 AromaticContact CZ-CE2 3.44Å; F118-F130 HydrophobicContact CZ-CE2 3.44Å; F118-F130 VanDerWaalsContact CZ-CE2 3.44Å; F118-F130 AromaticContact CZ-CZ 3.41Å; F118-F130 HydrophobicContact CZ-CZ 3.41Å; F118-F130 VanDerWaalsContact CZ-CZ 3.41Å; K128-F130 PolarHBondContact O-N 3.19Å; F130-K132 VanDerWaalsContact C-N 3.34Å; F130-K132 PolarHBondContact O-N 2.84Å; F130-A133 HydrophobicContact CD1-CB 4.2Å; F130-A133 PolarHBondContact O-N 3.31Å; F130-C134 WeakPolarHBondContact O-CB 3.4Å; F130-C134 PolarHBondContact O-N 2.8Å; F130-C134 PolarHBondContact O-SG 3.08Å
131T92Very high93.6Very high58 Ų5894 Ų9436%0.35645%0.447SS..Hα-helixtrans-56.5-44.5-176.9550000113.3K128 A129 K135K128-T131 WeakPolarHBondContact O-CG2 3.02Å; K128-T131 PolarHBondContact O-N 2.82Å; K128-T131 PolarHBondContact O-OG1 2.77Å; A129-T131 PolarHBondContact O-N 2.87Å; T131-K135 WeakPolarHBondContact O-CG 3.39Å; T131-K135 PolarHBondContact O-N 3.26Å; T131-K135 VanDerWaalsContact O-N 3.16Å
132K91.1Very high93.6Very high176 Ų17689.3 Ų89.377%0.76542%0.424SS*.Hα-helixtrans-68.2-36.9175.6-65.1-173177.3-172.30112.8F130 K135 R136F130-K132 VanDerWaalsContact C-N 3.34Å; F130-K132 PolarHBondContact O-N 2.84Å; K132-K135 PolarHBondContact O-N 3.15Å; K132-R136 PolarHBondContact O-N 2.79Å
133A90.1Very high93.5Very high34 Ų3493.5 Ų93.528%0.28144%0.443SS..Hα-helixtrans-68.6-41.2179.900000111.5F130 R136F130-A133 HydrophobicContact CD1-CB 4.2Å; F130-A133 PolarHBondContact O-N 3.31Å; A133-R136 WeakPolarHBondContact O-CB 3.47Å; A133-R136 PolarHBondContact O-N 2.86Å
134C91.6Very high93.6Very high26 Ų2692.1 Ų92.118%0.17644%0.435CS..Hα-helixtrans-64-41.3175.1-59.70000111.5E108 F130 R136 W137E108-C134 WeakPolarHBondContact O-CB 3.47Å; E108-C134 PolarHBondContact O-SG 2.69Å; F130-C134 WeakPolarHBondContact O-CB 3.4Å; F130-C134 PolarHBondContact O-N 2.8Å; F130-C134 PolarHBondContact O-SG 3.08Å; C134-R136 VanDerWaalsContact C-N 3.26Å; C134-R136 PolarHBondContact O-N 3.09Å; C134-W137 WeakPolarHBondContact O-CB 3.46Å; C134-W137 PolarHBondContact O-N 2.87Å; C134-W137 VanDerWaalsContact O-N 3.09Å
135K92.1Very high93.5Very high131 Ų13186.7 Ų86.757%0.5741%0.412SS*.Hα-helixtrans-58.1-34.4177-77-178.5177.6-159.20113.5T131 K132 W137 R138 D139T131-K135 WeakPolarHBondContact O-CG 3.39Å; T131-K135 PolarHBondContact O-N 3.26Å; T131-K135 VanDerWaalsContact O-N 3.16Å; K132-K135 PolarHBondContact O-N 3.15Å; K135-W137 PolarHBondContact O-N 3.31Å; K135-W137 VanDerWaalsContact O-N 3.08Å; K135-R138 WeakPolarHBondContact O-CB 3.47Å; K135-R138 PolarHBondContact O-N 2.95Å; K135-D139 PolarHBondContact O-N 3.16Å; K135-D139 VanDerWaalsContact O-N 3.15Å
136R92.4Very high93.5Very high88 Ų8885.5 Ų85.533%0.33240%0.403SS..THydrogen-bonded Turntrans-58.1-24.3176.7-70.1176.959.3-175.3-7.9113.9K132 A133 C134 R138 G142 K143 Q145 L146 D149K132-R136 PolarHBondContact O-N 2.79Å; A133-R136 WeakPolarHBondContact O-CB 3.47Å; A133-R136 PolarHBondContact O-N 2.86Å; C134-R136 VanDerWaalsContact C-N 3.26Å; C134-R136 PolarHBondContact O-N 3.09Å; R136-R138 VanDerWaalsContact C-N 3.28Å; R136-G142 CarbonylContact O-C 3.52Å; R136-G142 WeakPolarHBondContact O-CA 3.36Å; R136-K143 PolarHBondContact O-N 2.99Å; R136-K143 VanDerWaalsContact O-N 3.15Å; R136-Q145 VanDerWaalsContact NH2-CG 3.26Å; R136-L146 HydrophobicContact CB-CD1 4.38Å; R136-D149 IonicContact CZ-OD2 3.66Å; R136-D149 IonicContact NH2-OD2 3.88Å; R136-D149 PolarHBondContact NH2-OD2 3.29Å
137W92.9Very high93.5Very high44 Ų4483.1 Ų83.117%0.16740%0.395CS..THydrogen-bonded Turntrans-77.5-15.5176-73.196.4000113.2I105 F106 E108 C134 K135 K143 L146 F150 L201I105-W137 HydrophobicContact CG2-CZ2 3.85Å; F106-W137 PolarHBondContact O-NE1 3.18Å; E108-W137 HydrophobicContact CB-CB 3.7Å; E108-W137 HydrophobicContact CB-CD2 4.27Å; E108-W137 HydrophobicContact CB-CG 3.68Å; E108-W137 HydrophobicContact CG-CB 3.69Å; E108-W137 HydrophobicContact CG-CG 4.2Å; C134-W137 WeakPolarHBondContact O-CB 3.46Å; C134-W137 PolarHBondContact O-N 2.87Å; C134-W137 VanDerWaalsContact O-N 3.09Å; K135-W137 PolarHBondContact O-N 3.31Å; K135-W137 VanDerWaalsContact O-N 3.08Å; W137-K143 WeakPolarHBondContact O-CE 2.96Å; W137-L146 HydrophobicContact CD2-CD1 3.41Å; W137-L146 VanDerWaalsContact CD2-CD1 3.41Å; W137-L146 HydrophobicContact CE3-CD1 3.73Å; W137-L146 HydrophobicContact CG-CD1 3.79Å; W137-L146 HydrophobicContact CH2-CD1 4.27Å; W137-L146 HydrophobicContact CZ2-CD1 3.98Å; W137-L146 HydrophobicContact CZ2-CD2 4.2Å; W137-L146 HydrophobicContact CZ3-CD1 4.14Å; W137-F150 AromaticContact CH2-CE2 3.77Å; W137-F150 HydrophobicContact CH2-CE2 3.77Å; W137-F150 AromaticContact CH2-CZ 3.97Å; W137-F150 HydrophobicContact CH2-CZ 3.97Å; W137-F150 HydrophobicContact CZ2-CE2 4.4Å; W137-F150 HydrophobicContact CZ2-CZ 4.41Å; W137-L201 HydrophobicContact CH2-CD1 3.95Å; W137-L201 HydrophobicContact CZ2-CD1 4.01Å
138R92.3Very high93.6Very high153 Ų15385.8 Ų85.858%0.57741%0.407SS*.THydrogen-bonded Turntrans-96.6-41.3179.1-59.9-179.1-178.3-173.9-3.9111.5E108 K135 R136E108-R138 WeakPolarHBondContact OE1-CG 3.3Å; E108-R138 IonicContact OE1-CZ 3.79Å; E108-R138 IonicContact OE1-NE 3.96Å; E108-R138 PolarHBondContact OE1-NE 3.47Å; E108-R138 IonicContact OE1-NH2 2.94Å; K135-R138 WeakPolarHBondContact O-CB 3.47Å; K135-R138 PolarHBondContact O-N 2.95Å; R136-R138 VanDerWaalsContact C-N 3.28Å
139D93.6Very high93.7Very high88 Ų8879.7 Ų79.747%0.47138%0.381SS..SBendtrans-68.5137.6-179-52.3-29.6000111.3K135 D141 G142 K143K135-D139 PolarHBondContact O-N 3.16Å; K135-D139 VanDerWaalsContact O-N 3.15Å; D139-D141 PolarHBondContact O-N 2.85Å; D139-G142 PolarHBondContact O-N 3.37Å; D139-K143 WeakPolarHBondContact O-CG 3.39Å; D139-K143 PolarHBondContact O-N 3.4Å
140T94.4Very high93.9Very high103 Ų10379.3 Ų79.363%0.63238%0.376SS*.Hα-helixtrans-59.6-46.1179.748.60000112G142 K143 K144T140-G142 VanDerWaalsContact C-N 3.34Å; T140-K143 PolarHBondContact O-N 3.47Å; T140-K144 WeakPolarHBondContact O-CG 3.4Å; T140-K144 PolarHBondContact O-N 3.13Å; T140-K144 VanDerWaalsContact O-N 3.11Å
141D94.2Very high94Very high110 Ų11080.2 Ų80.259%0.58839%0.391SS*.Hα-helixtrans-69.4-33.3177-65.4-31.1000112.4D139 K144 Q145D139-D141 PolarHBondContact O-N 2.85Å; D141-K144 PolarHBondContact O-N 3.35Å; D141-K144 IonicContact OD1-NZ 2.57Å; D141-Q145 PolarHBondContact O-N 2.9Å
142G93.9Very high94.3Very high8 Ų878.4 Ų78.48%0.08238%0.381CS..Hα-helixtrans-62-44.4173.800000112.2R136 D139 T140 Q145 L146R136-G142 CarbonylContact O-C 3.52Å; R136-G142 WeakPolarHBondContact O-CA 3.36Å; D139-G142 PolarHBondContact O-N 3.37Å; T140-G142 VanDerWaalsContact C-N 3.34Å; G142-Q145 PolarHBondContact O-N 3.17Å; G142-L146 WeakPolarHBondContact O-CG 3.3Å; G142-L146 PolarHBondContact O-N 2.91Å
143K94.4Very high94.6Very high104 Ų10470 Ų7045%0.45235%0.345SS..Hα-helixtrans-61.9-45.2174.1-71.8179.2-177.6178.70111.8R136 W137 D139 T140 Q145 L146 Q147R136-K143 PolarHBondContact O-N 2.99Å; R136-K143 VanDerWaalsContact O-N 3.15Å; W137-K143 WeakPolarHBondContact O-CE 2.96Å; D139-K143 WeakPolarHBondContact O-CG 3.39Å; D139-K143 PolarHBondContact O-N 3.4Å; T140-K143 PolarHBondContact O-N 3.47Å; K143-Q145 VanDerWaalsContact C-N 3.3Å; K143-Q145 PolarHBondContact O-N 3.08Å; K143-L146 PolarHBondContact O-N 2.96Å; K143-Q147 WeakPolarHBondContact O-CG 3.3Å; K143-Q147 PolarHBondContact O-N 2.77Å
144K95.6Very high95Very high123 Ų12372.8 Ų72.854%0.53535%0.35SS..Hα-helixtrans-57.5-44.2174.3-70.8175-175.31690111.1T140 D141 Q147 K148T140-K144 WeakPolarHBondContact O-CG 3.4Å; T140-K144 PolarHBondContact O-N 3.13Å; T140-K144 VanDerWaalsContact O-N 3.11Å; D141-K144 PolarHBondContact O-N 3.35Å; D141-K144 IonicContact OD1-NZ 2.57Å; K144-Q147 PolarHBondContact O-N 3.2Å; K144-K148 WeakPolarHBondContact O-CG 3.49Å; K144-K148 PolarHBondContact O-N 2.65Å
145Q94.9Very high95.3Very high80 Ų8079 Ų7937%0.37438%0.375SS..Hα-helixtrans-65.6-39.8177.3-173.859.938.600112.3R136 D141 G142 K143 K148 D149R136-Q145 VanDerWaalsContact NH2-CG 3.26Å; D141-Q145 PolarHBondContact O-N 2.9Å; G142-Q145 PolarHBondContact O-N 3.17Å; K143-Q145 VanDerWaalsContact C-N 3.3Å; K143-Q145 PolarHBondContact O-N 3.08Å; Q145-K148 WeakPolarHBondContact O-CB 3.04Å; Q145-K148 PolarHBondContact O-N 3.28Å; Q145-D149 PolarHBondContact NE2-OD1 3.39Å; Q145-D149 WeakPolarHBondContact O-CB 2.99Å; Q145-D149 PolarHBondContact O-N 3.21Å
146L95.1Very high95.5Very high8 Ų878.6 Ų78.64%0.04237%0.37CS..Hα-helixtrans-62.9-43.8175.7-73.9166000111.6I105 R136 W137 G142 K143 K148 D149 F150I105-L146 HydrophobicContact CG1-CD2 4.47Å; I105-L146 HydrophobicContact CG2-CD2 3.67Å; R136-L146 HydrophobicContact CB-CD1 4.38Å; W137-L146 HydrophobicContact CD2-CD1 3.41Å; W137-L146 VanDerWaalsContact CD2-CD1 3.41Å; W137-L146 HydrophobicContact CE3-CD1 3.73Å; W137-L146 HydrophobicContact CG-CD1 3.79Å; W137-L146 HydrophobicContact CH2-CD1 4.27Å; W137-L146 HydrophobicContact CZ2-CD1 3.98Å; W137-L146 HydrophobicContact CZ2-CD2 4.2Å; W137-L146 HydrophobicContact CZ3-CD1 4.14Å; G142-L146 WeakPolarHBondContact O-CG 3.3Å; G142-L146 PolarHBondContact O-N 2.91Å; K143-L146 PolarHBondContact O-N 2.96Å; L146-K148 VanDerWaalsContact C-N 3.35Å; L146-K148 PolarHBondContact O-N 3.07Å; L146-D149 WeakPolarHBondContact O-CB 3.47Å; L146-D149 PolarHBondContact O-N 3.2Å; L146-D149 VanDerWaalsContact O-N 3.11Å; L146-F150 HydrophobicContact CB-CE2 4.46Å; L146-F150 WeakPolarHBondContact O-CD2 3.25Å; L146-F150 PolarHBondContact O-N 3.43Å
147Q95.8Very high95.8Very high133 Ų13374.8 Ų74.862%0.62136%0.357SS*.Hα-helixtrans-60.3-43.6174.8-72.2176.6-10.500111.7K143 K144 D149 F150 A151K143-Q147 WeakPolarHBondContact O-CG 3.3Å; K143-Q147 PolarHBondContact O-N 2.77Å; K144-Q147 PolarHBondContact O-N 3.2Å; Q147-D149 VanDerWaalsContact C-N 3.32Å; Q147-D149 PolarHBondContact O-N 3.19Å; Q147-F150 PolarHBondContact O-N 2.89Å; Q147-A151 WeakPolarHBondContact O-CB 2.86Å; Q147-A151 PolarHBondContact O-N 2.67Å
148K96.8Very high95.9Very high141 Ų14179.6 Ų79.661%0.61338%0.379SS*.Hα-helixtrans-59.5-42.1171.7-71.6178.6-177.7-178.70111.9K144 Q145 L146 A151 A152K144-K148 WeakPolarHBondContact O-CG 3.49Å; K144-K148 PolarHBondContact O-N 2.65Å; Q145-K148 WeakPolarHBondContact O-CB 3.04Å; Q145-K148 PolarHBondContact O-N 3.28Å; L146-K148 VanDerWaalsContact C-N 3.35Å; L146-K148 PolarHBondContact O-N 3.07Å; K148-A151 PolarHBondContact O-N 2.68Å; K148-A152 VanDerWaalsContact O-CB 3.32Å; K148-A152 WeakPolarHBondContact O-CB 3.27Å; K148-A152 PolarHBondContact O-N 3.13Å
149D96.8Very high96.2Very high12 Ų1273.1 Ų73.16%0.06436%0.357CS..Hα-helixtrans-64.4-42.8178.5-68.2-25.3000111.3K103 I105 R136 Q145 L146 Q147 A152 M153K103-D149 HydrophobicContact CD-CB 3.99Å; K103-D149 WeakPolarHBondContact CE-OD1 3.37Å; K103-D149 IonicContact NZ-OD1 3.41Å; K103-D149 PolarHBondContact NZ-OD1 3.38Å; I105-D149 HydrophobicContact CD1-CB 3.75Å; I105-D149 HydrophobicContact CG1-CB 4.16Å; R136-D149 IonicContact CZ-OD2 3.66Å; R136-D149 IonicContact NH2-OD2 3.88Å; R136-D149 PolarHBondContact NH2-OD2 3.29Å; Q145-D149 PolarHBondContact NE2-OD1 3.39Å; Q145-D149 WeakPolarHBondContact O-CB 2.99Å; Q145-D149 PolarHBondContact O-N 3.21Å; L146-D149 WeakPolarHBondContact O-CB 3.47Å; L146-D149 PolarHBondContact O-N 3.2Å; L146-D149 VanDerWaalsContact O-N 3.11Å; Q147-D149 VanDerWaalsContact C-N 3.32Å; Q147-D149 PolarHBondContact O-N 3.19Å; D149-A152 PolarHBondContact O-N 3.41Å; D149-M153 WeakPolarHBondContact O-CG 3.28Å; D149-M153 PolarHBondContact O-N 2.82Å
150F97.4Very high96.4Very high8 Ų869 Ų694%0.03534%0.335CS..Hα-helixtrans-64.3-44.8174-75.9-64.7000112.1V89 I105 W137 L146 Q147 A152 M153 K154 V194 Q198 L201V89-F150 HydrophobicContact CG1-CE1 3.88Å; I105-F150 HydrophobicContact CB-CZ 4.44Å; I105-F150 HydrophobicContact CD1-CD1 3.58Å; I105-F150 HydrophobicContact CD1-CD2 4.02Å; I105-F150 HydrophobicContact CD1-CE1 3.61Å; I105-F150 HydrophobicContact CD1-CE2 4Å; I105-F150 HydrophobicContact CD1-CG 3.8Å; I105-F150 HydrophobicContact CD1-CZ 3.81Å; I105-F150 HydrophobicContact CG2-CE1 4.41Å; I105-F150 HydrophobicContact CG2-CE2 4.25Å; I105-F150 HydrophobicContact CG2-CZ 3.8Å; W137-F150 AromaticContact CH2-CE2 3.77Å; W137-F150 HydrophobicContact CH2-CE2 3.77Å; W137-F150 AromaticContact CH2-CZ 3.97Å; W137-F150 HydrophobicContact CH2-CZ 3.97Å; W137-F150 HydrophobicContact CZ2-CE2 4.4Å; W137-F150 HydrophobicContact CZ2-CZ 4.41Å; L146-F150 HydrophobicContact CB-CE2 4.46Å; L146-F150 WeakPolarHBondContact O-CD2 3.25Å; L146-F150 PolarHBondContact O-N 3.43Å; Q147-F150 PolarHBondContact O-N 2.89Å; F150-A152 VanDerWaalsContact C-N 3.32Å; F150-A152 PolarHBondContact O-N 2.71Å; F150-M153 WeakPolarHBondContact O-CB 3.17Å; F150-M153 PolarHBondContact O-N 3.27Å; F150-M153 VanDerWaalsContact O-N 3.15Å; F150-K154 WeakPolarHBondContact O-CG 3.47Å; F150-K154 PolarHBondContact O-N 2.86Å; F150-V194 HydrophobicContact CB-CG1 4.35Å; F150-V194 HydrophobicContact CD1-CG1 3.69Å; F150-V194 HydrophobicContact CG-CG1 4.46Å; F150-Q198 HydrophobicContact CE1-CB 4.25Å; F150-Q198 HydrophobicContact CE1-CG 4.42Å; F150-Q198 HydrophobicContact CE2-CG 4.45Å; F150-Q198 HydrophobicContact CZ-CB 4.41Å; F150-Q198 HydrophobicContact CZ-CG 4.12Å; F150-L201 HydrophobicContact CZ-CD1 4.35Å
151A97.6Very high96.6Very high57 Ų5766 Ų6647%0.47131%0.312SS..Hα-helixtrans-60.4-42.4175.900000111.6Q147 K148 M153 K154 K155Q147-A151 WeakPolarHBondContact O-CB 2.86Å; Q147-A151 PolarHBondContact O-N 2.67Å; K148-A151 PolarHBondContact O-N 2.68Å; A151-M153 VanDerWaalsContact C-N 3.33Å; A151-M153 PolarHBondContact O-N 2.61Å; A151-K154 PolarHBondContact O-N 2.88Å; A151-K155 PolarHBondContact O-N 3.07Å
152A97.5Very high96.8Very high19 Ų1960.7 Ų60.716%0.15728%0.284CS..Hα-helixtrans-64.5-35.8175.200000112.3F102 K103 K148 D149 F150 K155 Y156F102-A152 HydrophobicContact CE1-CB 3.86Å; F102-A152 HydrophobicContact CZ-CB 4.3Å; K103-A152 HydrophobicContact CD-CB 4.41Å; K148-A152 VanDerWaalsContact O-CB 3.32Å; K148-A152 WeakPolarHBondContact O-CB 3.27Å; K148-A152 PolarHBondContact O-N 3.13Å; D149-A152 PolarHBondContact O-N 3.41Å; F150-A152 VanDerWaalsContact C-N 3.32Å; F150-A152 PolarHBondContact O-N 2.71Å; A152-K155 PolarHBondContact O-N 3Å; A152-Y156 HydrophobicContact CB-CD2 4.23Å; A152-Y156 HydrophobicContact CB-CE2 4.47Å; A152-Y156 VanDerWaalsContact O-CD2 3.32Å; A152-Y156 WeakPolarHBondContact O-CD2 3.49Å; A152-Y156 PolarHBondContact O-N 3.39Å
153M97.8Very high97.1Very high0 Ų061 Ų610%028%0.283CS..Hα-helixtrans-62.4-45.4172.3-73.3-176.5-177.100111.6V89 K103 I105 D149 F150 A151 K155 C157 I160 V194V89-M153 HydrophobicContact CG1-CE 4.29Å; V89-M153 HydrophobicContact CG1-SD 4.1Å; V89-M153 HydrophobicContact CG2-SD 4.33Å; K103-M153 HydrophobicContact CB-CE 3.51Å; K103-M153 HydrophobicContact CB-CG 4.42Å; K103-M153 VanDerWaalsContact O-CE 3.28Å; K103-M153 WeakPolarHBondContact O-CE 3.36Å; I105-M153 HydrophobicContact CB-CE 4.36Å; I105-M153 HydrophobicContact CD1-CE 3.56Å; I105-M153 HydrophobicContact CD1-SD 3.96Å; I105-M153 HydrophobicContact CG1-CE 3.65Å; D149-M153 WeakPolarHBondContact O-CG 3.28Å; D149-M153 PolarHBondContact O-N 2.82Å; F150-M153 WeakPolarHBondContact O-CB 3.17Å; F150-M153 PolarHBondContact O-N 3.27Å; F150-M153 VanDerWaalsContact O-N 3.15Å; A151-M153 VanDerWaalsContact C-N 3.33Å; A151-M153 PolarHBondContact O-N 2.61Å; M153-K155 VanDerWaalsContact C-N 3.3Å; M153-K155 PolarHBondContact O-N 2.71Å; M153-C157 WeakPolarHBondContact O-CB 3.09Å; M153-C157 PolarHBondContact O-N 2.87Å; M153-C157 VanDerWaalsContact O-N 3.08Å; M153-I160 HydrophobicContact CB-CD1 4.39Å; M153-V194 HydrophobicContact CB-CG2 4.09Å
154K97.7Very high97.2Very high92 Ų9256 Ų5640%0.426%0.261SS..Hα-helixtrans-60.1-40.3177.8-65.1-176.3179.5179.20112F150 A151 A191 V194F150-K154 WeakPolarHBondContact O-CG 3.47Å; F150-K154 PolarHBondContact O-N 2.86Å; A151-K154 PolarHBondContact O-N 2.88Å; K154-A191 HydrophobicContact CD-CB 4.12Å; K154-A191 HydrophobicContact CG-CB 4.39Å; K154-V194 HydrophobicContact CG-CB 3.85Å; K154-V194 HydrophobicContact CG-CG1 3.98Å; K154-V194 HydrophobicContact CG-CG2 3.92Å
155K97.4Very high97.3Very high157 Ų15750.3 Ų50.368%0.68324%0.236SC*.Hα-helixtrans-76-45.3-176.7-173.3174.7179.7-1780113.8A151 A152 M153A151-K155 PolarHBondContact O-N 3.07Å; A152-K155 PolarHBondContact O-N 3Å; M153-K155 VanDerWaalsContact C-N 3.3Å; M153-K155 PolarHBondContact O-N 2.71Å
156Y97.1Very high97.5Very high123 Ų12346.5 Ų46.548%0.48222%0.219SC..Hα-helixtrans-107.1-20.9-166.7-60.2-63.2000114.7V93 F102 A152V93-Y156 WeakPolarHBondContact CG2-O 3.37Å; F102-Y156 HydrophobicContact CE1-CD2 4.12Å; F102-Y156 AromaticContact CZ-CD2 3.78Å; F102-Y156 HydrophobicContact CZ-CD2 3.78Å; F102-Y156 HydrophobicContact CZ-CG 4.37Å; A152-Y156 HydrophobicContact CB-CD2 4.23Å; A152-Y156 HydrophobicContact CB-CE2 4.47Å; A152-Y156 VanDerWaalsContact O-CD2 3.32Å; A152-Y156 WeakPolarHBondContact O-CD2 3.49Å; A152-Y156 PolarHBondContact O-N 3.39Å
157C97.4Very high97.6Very high8 Ų847.7 Ų47.75%0.05422%0.224CC..  trans-84.8137.5-175-62.10000111.3G91 Y92 F102 M153 I160 V190G91-C157 VanDerWaalsContact C-SG 3.59Å; G91-C157 WeakPolarHBondContact CA-SG 3.18Å; Y92-C157 CarbonylContact O-C 3.55Å; Y92-C157 WeakPolarHBondContact O-CA 3.43Å; Y92-C157 WeakPolarHBondContact O-CB 3.1Å; F102-C157 VanDerWaalsContact CD1-SG 3.59Å; M153-C157 WeakPolarHBondContact O-CB 3.09Å; M153-C157 PolarHBondContact O-N 2.87Å; M153-C157 VanDerWaalsContact O-N 3.08Å; C157-I160 HydrophobicContact CB-CD1 3.79Å; C157-V190 WeakPolarHBondContact O-CG1 3.26Å
158K96.8Very high97.5Very high144 Ų14441.3 Ų41.363%0.62619%0.194SC*.SBendtrans-88.8-31.5170.9-174.6165.1-174.5163.60111.9Y92 A94Y92-K158 PolarHBondContact O-N 2.8Å; A94-K158 HydrophobicContact CB-CB 4.26Å; A94-K158 HydrophobicContact CB-CD 3.9Å
159V98Very high97.4Very high18 Ų1842.3 Ų42.311%0.10920%0.199CC..EExtended strand (participates in β ladder)trans-130.2131.5-176.7177.40000109.7Y92 L99 R161 Q184Y92-V159 PolarHBondContact N-O 3.4Å; Y92-V159 PolarHBondContact O-N 2.8Å; L99-V159 HydrophobicContact CD1-CG2 4.09Å; L99-V159 HydrophobicContact CD2-CG2 4.29Å; V159-R161 HydrophobicContact CG1-CG 4.22Å; V159-Q184 HydrophobicContact CG1-CG 3.72Å
160I98.5Very high97.4Very high1 Ų145.2 Ų45.21%0.00521%0.214CC..EExtended strand (participates in β ladder)trans-107.9133.4173-57.9-57.6000109.1V89 M153 C157 L185 V190 K193 V194V89-I160 HydrophobicContact CG2-CG2 3.52Å; M153-I160 HydrophobicContact CB-CD1 4.39Å; C157-I160 HydrophobicContact CB-CD1 3.79Å; I160-L185 HydrophobicContact CG2-CD1 4.16Å; I160-L185 PolarHBondContact O-N 3.38Å; I160-V190 HydrophobicContact CD1-CG1 4.22Å; I160-V190 HydrophobicContact CG1-CG1 4.01Å; I160-K193 HydrophobicContact CB-CB 4.09Å; I160-K193 HydrophobicContact CG1-CB 4.13Å; I160-K193 HydrophobicContact CG2-CB 4.47Å; I160-V194 HydrophobicContact CD1-CG2 3.69Å; I160-V194 HydrophobicContact CG1-CG2 3.82Å
161R98.6Very high97.3Very high39 Ų3945.3 Ų45.315%0.14721%0.214CC..EExtended strand (participates in β ladder)trans-125.3140.4172-55.2-161.7176.21475.3110.3W32 V89 V90 Y92 V159 E182 I183 Q184W32-R161 VanDerWaalsContact CD1-NH2 3.35Å; V89-R161 CarbonylContact C-O 3.25Å; V89-R161 WeakPolarHBondContact CA-O 3.38Å; V90-R161 PolarHBondContact N-O 2.88Å; V90-R161 PolarHBondContact O-N 2.8Å; Y92-R161 HydrophobicContact CD2-CG 4.01Å; Y92-R161 HydrophobicContact CE2-CB 4.25Å; Y92-R161 HydrophobicContact CE2-CG 3.79Å; V159-R161 HydrophobicContact CG1-CG 4.22Å; R161-E182 HydrophobicContact CB-CB 4.19Å; R161-E182 IonicContact NH1-OE2 2.73Å; R161-E182 PolarHBondContact NH1-OE2 2.62Å; R161-I183 CarbonylContact C-O 3.52Å; R161-I183 WeakPolarHBondContact CA-O 3.29Å; R161-I183 WeakPolarHBondContact CB-O 3.4Å; R161-Q184 HydrophobicContact CG-CB 4.2Å; R161-Q184 HydrophobicContact CG-CG 4.39Å
162V98.5Very high97.1Very high0 Ų045.6 Ų45.60%021%0.212CC..EExtended strand (participates in β ladder)trans-94.2137.9171.3-68.10000110.5L43 V86 G88 V164 E182 I183 L185 W196 A197L43-V162 HydrophobicContact CD2-CG2 3.49Å; L43-V162 VanDerWaalsContact CD2-CG2 3.49Å; V86-V162 HydrophobicContact CG1-CB 4.07Å; V86-V162 HydrophobicContact CG1-CG1 4.29Å; G88-V162 CarbonylContact O-C 3.55Å; G88-V162 WeakPolarHBondContact O-CA 3.41Å; V162-V164 HydrophobicContact CG2-CG1 4.02Å; V162-E182 CarbonylContact O-C 3.4Å; V162-E182 VanDerWaalsContact O-CA 3.23Å; V162-E182 WeakPolarHBondContact O-CA 3.33Å; V162-I183 HydrophobicContact CG2-CB 4.2Å; V162-I183 PolarHBondContact N-O 3.23Å; V162-I183 PolarHBondContact O-N 3.1Å; V162-L185 HydrophobicContact CG1-CD1 3.87Å; V162-L185 HydrophobicContact CG1-CG 4.21Å; V162-L185 HydrophobicContact CG2-CD2 4.42Å; V162-W196 HydrophobicContact CG1-CZ3 4.16Å; V162-A197 HydrophobicContact CG1-CB 3.68Å
163I98.3Very high96.9Very high13 Ų1346.3 Ų46.37%0.06721%0.211CC..EExtended strand (participates in β ladder)trans-85.5119.4170.1-56.4177.6000107V87 G88 V90 T104 F106 I180 E182V87-I163 HydrophobicContact CG2-CB 4.37Å; V87-I163 HydrophobicContact CG2-CG2 3.87Å; V87-I163 WeakPolarHBondContact CG2-O 3.38Å; V87-I163 PolarHBondContact N-O 3.22Å; G88-I163 PolarHBondContact N-O 3.13Å; G88-I163 PolarHBondContact O-N 2.83Å; V90-I163 HydrophobicContact CG2-CD1 3.61Å; V90-I163 HydrophobicContact CG2-CG1 3.67Å; T104-I163 HydrophobicContact CG2-CD1 3.71Å; F106-I163 HydrophobicContact CE1-CD1 3.73Å; F106-I163 HydrophobicContact CE2-CD1 4.45Å; F106-I163 HydrophobicContact CZ-CD1 3.71Å; I163-I180 HydrophobicContact CG2-CG2 3.41Å; I163-I180 VanDerWaalsContact CG2-CG2 3.41Å; I163-E182 HydrophobicContact CG1-CG 4.3Å
164V98.3Very high96.7Very high0 Ų058.3 Ų58.30%026%0.257CS..EExtended strand (participates in β ladder)trans-119.9155.4176.5-57.20000110.7L84 V85 V86 V162 I180 M181 I183L84-V164 HydrophobicContact CB-CB 4.28Å; L84-V164 HydrophobicContact CD1-CG2 4.03Å; V85-V164 CarbonylContact O-C 3.51Å; V85-V164 VanDerWaalsContact O-CA 3.24Å; V85-V164 WeakPolarHBondContact O-CA 3.28Å; V86-V164 HydrophobicContact CB-CG1 4.49Å; V86-V164 HydrophobicContact CG2-CG1 4Å; V162-V164 HydrophobicContact CG2-CG1 4.02Å; V164-I180 CarbonylContact O-C 3.03Å; V164-I180 VanDerWaalsContact O-CA 3.28Å; V164-I180 WeakPolarHBondContact O-CA 3.32Å; V164-M181 HydrophobicContact CG2-CG 3.45Å; V164-M181 VanDerWaalsContact CG2-CG 3.45Å; V164-M181 WeakPolarHBondContact CG2-O 3.5Å; V164-M181 HydrophobicContact CG2-SD 4.46Å; V164-M181 PolarHBondContact N-O 3.16Å; V164-M181 PolarHBondContact O-N 3.12Å; V164-I183 HydrophobicContact CB-CD1 4.34Å; V164-I183 HydrophobicContact CG1-CD1 4Å; V164-I183 HydrophobicContact CG2-CD1 3.43Å; V164-I183 VanDerWaalsContact CG2-CD1 3.43Å; V164-I183 HydrophobicContact CG2-CG1 3.96Å
165H97.9Very high96.6Very high3 Ų357.8 Ų57.81%0.01426%0.256CS..EExtended strand (participates in β ladder)trans-130.4151.9166.676.380.8000112.2L84 V85 V87 S111 A178 H179 I180L84-H165 WeakPolarHBondContact CA-O 3.42Å; V85-H165 PolarHBondContact N-O 3.43Å; V85-H165 PolarHBondContact O-N 3.01Å; V87-H165 WeakPolarHBondContact CG1-CD2 3.42Å; V87-H165 WeakPolarHBondContact CG1-NE2 3.31Å; S111-H165 PolarHBondContact OG-CE1 3.37Å; S111-H165 PolarHBondContact OG-NE2 2.76Å; S111-H165 VanDerWaalsContact OG-NE2 3.15Å; H165-A178 HydrophobicContact CB-CB 4Å; H165-H179 WeakPolarHBondContact CA-O 3.46Å; H165-I180 HydrophobicContact CB-CG1 3.92Å
166T97.7Very high96.5Very high0 Ų056 Ų560%025%0.248CC..EExtended strand (participates in β ladder)trans-75.1156.4169.957.30000111.2L47 Y49 L84 A178 H179L47-T166 HydrophobicContact CB-CG2 3.51Å; L47-T166 HydrophobicContact CD1-CG2 3.73Å; L47-T166 HydrophobicContact CG-CG2 4.22Å; Y49-T166 HydrophobicContact CE2-CG2 3.93Å; Y49-T166 WeakPolarHBondContact OH-CB 3.28Å; Y49-T166 WeakPolarHBondContact OH-CG2 3.44Å; Y49-T166 PolarHBondContact OH-OG1 2.76Å; L84-T166 HydrophobicContact CD2-CG2 3.53Å; T166-A178 VanDerWaalsContact O-CB 3.26Å; T166-A178 WeakPolarHBondContact O-CB 3.24Å; T166-H179 HydrophobicContact CG2-CB 4.37Å; T166-H179 PolarHBondContact N-O 3.34Å; T166-H179 PolarHBondContact OG1-N 2.91Å; T166-H179 VanDerWaalsContact OG1-N 3.15Å
167Q96.6Very high96.5Very high33 Ų3353.1 Ų53.115%0.15424%0.238CC..  trans-97.1110.2171.3-63-177.681.200109.8P83 V85 E113 L170P83-Q167 PolarHBondContact O-NE2 2.85Å; V85-Q167 HydrophobicContact CG2-CG 3.83Å; E113-Q167 WeakPolarHBondContact OE2-CA 3.5Å; Q167-L170 HydrophobicContact CB-CD1 3.73Å; Q167-L170 HydrophobicContact CB-CG 3.94Å; Q167-L170 HydrophobicContact CG-CD1 4.43Å
168M95.7Very high96.5Very high0 Ų052.8 Ų52.80%024%0.235CC..SBendtrans-85.1-32.5-172-68.7-64.8-5600113.4Y49 E113 L170 L171 F173 Q175 K177 A178Y49-M168 HydrophobicContact CE1-SD 4.16Å; Y49-M168 PolarHBondContact OH-SD 2.81Å; E113-M168 PolarHBondContact OE2-N 2.82Å; M168-L170 PolarHBondContact O-N 2.89Å; M168-L171 HydrophobicContact CE-CD1 4.33Å; M168-L171 WeakPolarHBondContact O-CB 3.28Å; M168-L171 PolarHBondContact O-N 2.78Å; M168-L171 HydrophobicContact SD-CD1 4.14Å; M168-F173 HydrophobicContact CE-CB 4.47Å; M168-F173 HydrophobicContact CE-CD2 3.74Å; M168-Q175 WeakPolarHBondContact CB-O 3.28Å; M168-Q175 HydrophobicContact CE-CB 3.81Å; M168-Q175 HydrophobicContact CE-CG 3.78Å; M168-Q175 WeakPolarHBondContact CE-O 3.49Å; M168-K177 WeakPolarHBondContact CG-O 3.18Å; M168-A178 HydrophobicContact CG-CB 4.46Å
169K94.8Very high96.6Very high161 Ų16146.3 Ų46.370%0.721%0.207SC*.THydrogen-bonded Turntrans-58.1-27.6174.4-84.9161-171.2-167.10113.2E113 L171E113-K169 HydrophobicContact CG-CD 4.35Å; E113-K169 WeakPolarHBondContact OE1-CB 3.25Å; E113-K169 WeakPolarHBondContact OE1-CD 3.1Å; E113-K169 WeakPolarHBondContact OE1-CG 3.26Å; E113-K169 PolarHBondContact OE1-N 2.95Å; K169-L171 PolarHBondContact O-N 2.82Å
170L95.4Very high96.5Very high74 Ų7446.9 Ų46.939%0.38721%0.21SC..THydrogen-bonded Turntrans-73.8-12.1177.7-59.7-175.4000112.8P82 P83 Q167 M168 N328P82-L170 HydrophobicContact CB-CB 4.25Å; P82-L170 HydrophobicContact CB-CD1 4.18Å; P83-L170 HydrophobicContact CG-CD1 4.34Å; Q167-L170 HydrophobicContact CB-CD1 3.73Å; Q167-L170 HydrophobicContact CB-CG 3.94Å; Q167-L170 HydrophobicContact CG-CD1 4.43Å; M168-L170 PolarHBondContact O-N 2.89Å; L170-N328 PolarHBondContact O-ND2 2.84Å
171L95.5Very high96.5Very high9 Ų947.1 Ų47.15%0.04721%0.21CC..SBendtrans-101.7152.1-178.9-61.3168.3000110.5Y49 E80 P82 M168 K169 F173Y49-L171 HydrophobicContact CD1-CD1 4.15Å; Y49-L171 HydrophobicContact CD2-CD1 3.32Å; Y49-L171 HydrophobicContact CD2-CD2 4.15Å; Y49-L171 HydrophobicContact CD2-CG 4.37Å; Y49-L171 HydrophobicContact CE1-CD1 4.1Å; Y49-L171 HydrophobicContact CE2-CD1 3.31Å; Y49-L171 HydrophobicContact CG-CD1 3.77Å; E80-L171 HydrophobicContact CG-CD2 4.06Å; E80-L171 WeakPolarHBondContact OE2-CD2 3.09Å; P82-L171 HydrophobicContact CG-CD1 4.2Å; P82-L171 HydrophobicContact CG-CD2 3.96Å; P82-L171 HydrophobicContact CG-CG 4.13Å; M168-L171 HydrophobicContact CE-CD1 4.33Å; M168-L171 WeakPolarHBondContact O-CB 3.28Å; M168-L171 PolarHBondContact O-N 2.78Å; M168-L171 HydrophobicContact SD-CD1 4.14Å; K169-L171 PolarHBondContact O-N 2.82Å; L171-F173 HydrophobicContact CB-CD1 4.49Å; L171-F173 HydrophobicContact CB-CD2 4.01Å; L171-F173 HydrophobicContact CB-CE2 4.17Å; L171-F173 HydrophobicContact CB-CG 4.15Å; L171-F173 HydrophobicContact CB-CZ 4.43Å; L171-F173 HydrophobicContact CD1-CD2 4.01Å; L171-F173 HydrophobicContact CD1-CE2 3.75Å; L171-F173 HydrophobicContact CD1-CZ 4.46Å; L171-F173 HydrophobicContact CG-CE2 4.48Å; L171-F173 PolarHBondContact O-N 2.96Å
172P92.7Very high96.4Very high63 Ų6348.6 Ų48.641%0.40922%0.219SC..SBendtrans-76.142.617833.1-37.1000112.5Y323P172-Y323 HydrophobicContact CG-CD1 4.39Å; P172-Y323 HydrophobicContact CG-CE1 4.11Å
173F94.6Very high96.4Very high34 Ų3448.6 Ų48.615%0.14922%0.219CC..  trans-113.4146.7-176.6-57.8-12.7000111.8Y49 M168 L171 Q175 Y323 K342Y49-F173 AromaticContact CD1-CE2 3.55Å; Y49-F173 HydrophobicContact CD1-CE2 3.55Å; Y49-F173 HydrophobicContact CD1-CZ 4.27Å; Y49-F173 HydrophobicContact CE1-CE2 4.11Å; Y49-F173 AromaticContact CG-CE2 3.93Å; Y49-F173 HydrophobicContact CG-CE2 3.93Å; Y49-F173 HydrophobicContact CG-CZ 4.34Å; M168-F173 HydrophobicContact CE-CB 4.47Å; M168-F173 HydrophobicContact CE-CD2 3.74Å; L171-F173 HydrophobicContact CB-CD1 4.49Å; L171-F173 HydrophobicContact CB-CD2 4.01Å; L171-F173 HydrophobicContact CB-CE2 4.17Å; L171-F173 HydrophobicContact CB-CG 4.15Å; L171-F173 HydrophobicContact CB-CZ 4.43Å; L171-F173 HydrophobicContact CD1-CD2 4.01Å; L171-F173 HydrophobicContact CD1-CE2 3.75Å; L171-F173 HydrophobicContact CD1-CZ 4.46Å; L171-F173 HydrophobicContact CG-CE2 4.48Å; L171-F173 PolarHBondContact O-N 2.96Å; F173-Q175 PolarHBondContact O-N 2.88Å; F173-Y323 AromaticContact CE1-CD2 3.95Å; F173-Y323 HydrophobicContact CE1-CD2 3.95Å; F173-Y323 AromaticContact CE1-CE2 3.51Å; F173-Y323 HydrophobicContact CE1-CE2 3.51Å; F173-Y323 AromaticContact CE1-CZ 3.86Å; F173-Y323 HydrophobicContact CZ-CD2 4.21Å; F173-Y323 AromaticContact CZ-CE2 3.39Å; F173-Y323 HydrophobicContact CZ-CE2 3.39Å; F173-Y323 AromaticContact CZ-CZ 3.79Å; F173-K342 HydrophobicContact CD1-CD 4.04Å; F173-K342 HydrophobicContact CD1-CG 4.14Å; F173-K342 HydrophobicContact CE1-CB 3.92Å; F173-K342 HydrophobicContact CE1-CD 3.93Å; F173-K342 HydrophobicContact CE1-CG 3.52Å; F173-K342 HydrophobicContact CE2-CB 4.39Å; F173-K342 HydrophobicContact CZ-CB 3.85Å; F173-K342 HydrophobicContact CZ-CG 3.95Å
174R94.1Very high96.5Very high253 Ų25348.9 Ų48.996%0.95522%0.22SC*.SBendtrans-68.2-19170.8-61.7-177.7-179.6176.8-1.4113.1K176R174-K176 PolarHBondContact O-N 2.82Å
175Q95.3Very high96.5Very high81 Ų8148.9 Ų48.938%0.37922%0.22SC..  trans-75.1119.8-177.6179-176.6-32.600110.5M168 F173 K177 H179M168-Q175 WeakPolarHBondContact CB-O 3.28Å; M168-Q175 HydrophobicContact CE-CB 3.81Å; M168-Q175 HydrophobicContact CE-CG 3.78Å; M168-Q175 WeakPolarHBondContact CE-O 3.49Å; F173-Q175 PolarHBondContact O-N 2.88Å; Q175-K177 HydrophobicContact CG-CB 4.29Å; Q175-K177 PolarHBondContact NE2-O 2.98Å; Q175-H179 PolarHBondContact NE2-NE2 3.31Å
176K95.7Very high96.5Very high120 Ų12048.9 Ų48.952%0.52222%0.22SC..  trans-96.2-5.6174.7-58.4-178.5179.3-177.60114.2R174R174-K176 PolarHBondContact O-N 2.82Å
177K96.5Very high96.5Very high62 Ų6248.9 Ų48.927%0.2722%0.22SC..  trans-87.2114.5-174.1-177.5170.2-173.5159.80110R116 Y119 M168 Q175R116-K177 HydrophobicContact CB-CB 4.29Å; R116-K177 HydrophobicContact CB-CG 4.2Å; R116-K177 WeakPolarHBondContact O-CE 3.34Å; R116-K177 PolarHBondContact O-NZ 3.19Å; Y119-K177 PolarHBondContact O-NZ 3.01Å; M168-K177 WeakPolarHBondContact CG-O 3.18Å; Q175-K177 HydrophobicContact CG-CB 4.29Å; Q175-K177 PolarHBondContact NE2-O 2.98Å
178A97.4Very high96.5Very high0 Ų047.7 Ų47.70%022%0.217CC..  trans-65.9152.7-177.900000113.2E113 R117 H165 T166 M168E113-A178 HydrophobicContact CB-CB 3.98Å; E113-A178 WeakPolarHBondContact O-CB 3.45Å; E113-A178 PolarHBondContact O-N 3.39Å; R117-A178 WeakPolarHBondContact CD-O 3.14Å; H165-A178 HydrophobicContact CB-CB 4Å; T166-A178 VanDerWaalsContact O-CB 3.26Å; T166-A178 WeakPolarHBondContact O-CB 3.24Å; M168-A178 HydrophobicContact CG-CB 4.46Å
179H98Very high96.6Very high9 Ų951 Ų514%0.04224%0.237CC..  trans-92.1113.5169.6-70.3-88.8000109.4L47 Y49 H165 T166 Q175 V344L47-H179 HydrophobicContact CD1-CB 4.14Å; Y49-H179 AromaticContact CE1-CD2 3.96Å; Y49-H179 AromaticContact CZ-CD2 3.95Å; Y49-H179 PolarHBondContact OH-CD2 2.97Å; H165-H179 WeakPolarHBondContact CA-O 3.46Å; T166-H179 HydrophobicContact CG2-CB 4.37Å; T166-H179 PolarHBondContact N-O 3.34Å; T166-H179 PolarHBondContact OG1-N 2.91Å; T166-H179 VanDerWaalsContact OG1-N 3.15Å; Q175-H179 PolarHBondContact NE2-NE2 3.31Å; H179-V344 HydrophobicContact CB-CG2 4.41Å
180I97.4Very high96.8Very high30 Ų3045.2 Ų45.215%0.15422%0.215CC..EExtended strand (participates in β ladder)trans-97.1123.9-179.5-57.5-176.1000110.9R26 C114 R117 F118 I163 V164 H165R26-I180 VanDerWaalsContact NH1-C 3.26Å; R26-I180 PolarHBondContact NH1-O 2.95Å; C114-I180 WeakPolarHBondContact SG-CD1 3.45Å; R117-I180 HydrophobicContact CB-CD1 3.44Å; R117-I180 VanDerWaalsContact CB-CD1 3.44Å; R117-I180 HydrophobicContact CB-CG1 3.99Å; R117-I180 HydrophobicContact CG-CB 4.42Å; R117-I180 HydrophobicContact CG-CD1 3.67Å; R117-I180 HydrophobicContact CG-CG1 3.91Å; F118-I180 HydrophobicContact CE2-CD1 3.6Å; F118-I180 HydrophobicContact CZ-CD1 3.86Å; I163-I180 HydrophobicContact CG2-CG2 3.41Å; I163-I180 VanDerWaalsContact CG2-CG2 3.41Å; V164-I180 CarbonylContact O-C 3.03Å; V164-I180 VanDerWaalsContact O-CA 3.28Å; V164-I180 WeakPolarHBondContact O-CA 3.32Å; H165-I180 HydrophobicContact CB-CG1 3.92Å
181M97.1Very high96.9Very high5 Ų543.7 Ų43.73%0.02521%0.213CC..EExtended strand (participates in β ladder)trans-128.2155.117273.9174.5-68.100112.1R26 V29 W32 A45 L47 V164 I183 T346R26-M181 VanDerWaalsContact CZ-CB 3.49Å; V29-M181 HydrophobicContact CG2-CE 4.12Å; W32-M181 HydrophobicContact CH2-CE 3.77Å; A45-M181 HydrophobicContact CB-CE 3.93Å; L47-M181 HydrophobicContact CD1-CB 4.14Å; L47-M181 HydrophobicContact CD1-CG 3.78Å; L47-M181 HydrophobicContact CD1-SD 3.73Å; L47-M181 HydrophobicContact CD2-CG 4.41Å; L47-M181 HydrophobicContact CD2-SD 3.32Å; L47-M181 WeakPolarHBondContact CD2-SD 3.33Å; L47-M181 HydrophobicContact CG-CG 4.03Å; L47-M181 HydrophobicContact CG-SD 3.28Å; L47-M181 WeakPolarHBondContact CG-SD 3.5Å; V164-M181 HydrophobicContact CG2-CG 3.45Å; V164-M181 VanDerWaalsContact CG2-CG 3.45Å; V164-M181 WeakPolarHBondContact CG2-O 3.5Å; V164-M181 HydrophobicContact CG2-SD 4.46Å; V164-M181 PolarHBondContact N-O 3.16Å; V164-M181 PolarHBondContact O-N 3.12Å; M181-I183 HydrophobicContact CE-CG1 3.59Å; M181-I183 HydrophobicContact CG-CD1 4.42Å; M181-I183 HydrophobicContact CG-CG1 3.97Å; M181-I183 HydrophobicContact SD-CD1 4.23Å; M181-I183 HydrophobicContact SD-CG1 3.83Å; M181-T346 HydrophobicContact CE-CG2 3.95Å; M181-T346 HydrophobicContact SD-CG2 4.38Å
182E97.9Very high97Very high71 Ų7147.7 Ų47.733%0.33223%0.231SC..EExtended strand (participates in β ladder)trans-86138.2160.6-67.5156.8-147.400108.9W32 Y92 R161 V162 I163W32-E182 WeakPolarHBondContact CH2-O 3.42Å; W32-E182 VanDerWaalsContact CZ2-O 3.23Å; W32-E182 WeakPolarHBondContact CZ2-O 3.32Å; Y92-E182 PolarHBondContact OH-OE2 3.3Å; R161-E182 HydrophobicContact CB-CB 4.19Å; R161-E182 IonicContact NH1-OE2 2.73Å; R161-E182 PolarHBondContact NH1-OE2 2.62Å; V162-E182 CarbonylContact O-C 3.4Å; V162-E182 VanDerWaalsContact O-CA 3.23Å; V162-E182 WeakPolarHBondContact O-CA 3.33Å; I163-E182 HydrophobicContact CG1-CG 4.3Å
183I98.5Very high97.3Very high0 Ų044.8 Ų44.80%021%0.212CC..EExtended strand (participates in β ladder)trans-117.6131.9168-60.1163.4000108.6W32 L43 A45 L84 R161 V162 V164 M181W32-I183 HydrophobicContact CH2-CB 4.31Å; W32-I183 HydrophobicContact CH2-CG1 4.46Å; W32-I183 HydrophobicContact CH2-CG2 4.27Å; W32-I183 HydrophobicContact CZ3-CG2 4.08Å; L43-I183 HydrophobicContact CB-CG2 4.13Å; L43-I183 HydrophobicContact CD2-CB 3.92Å; L43-I183 HydrophobicContact CD2-CD1 4.35Å; L43-I183 HydrophobicContact CD2-CG2 3.53Å; L43-I183 HydrophobicContact CG-CG2 4.41Å; A45-I183 HydrophobicContact CB-CG1 4.31Å; A45-I183 HydrophobicContact CB-CG2 4.24Å; A45-I183 WeakPolarHBondContact O-CD1 3.39Å; L84-I183 HydrophobicContact CD1-CD1 4.09Å; R161-I183 CarbonylContact C-O 3.52Å; R161-I183 WeakPolarHBondContact CA-O 3.29Å; R161-I183 WeakPolarHBondContact CB-O 3.4Å; V162-I183 HydrophobicContact CG2-CB 4.2Å; V162-I183 PolarHBondContact N-O 3.23Å; V162-I183 PolarHBondContact O-N 3.1Å; V164-I183 HydrophobicContact CB-CD1 4.34Å; V164-I183 HydrophobicContact CG1-CD1 4Å; V164-I183 HydrophobicContact CG2-CD1 3.43Å; V164-I183 VanDerWaalsContact CG2-CD1 3.43Å; V164-I183 HydrophobicContact CG2-CG1 3.96Å; M181-I183 HydrophobicContact CE-CG1 3.59Å; M181-I183 HydrophobicContact CG-CD1 4.42Å; M181-I183 HydrophobicContact CG-CG1 3.97Å; M181-I183 HydrophobicContact SD-CD1 4.23Å; M181-I183 HydrophobicContact SD-CG1 3.83Å
184Q98.6Very high97.4Very high18 Ų1843.1 Ų43.18%0.08421%0.205CC..EExtended strand (participates in β ladder)trans-76133.3175.9-171.3173.5-63.600111W32 T44 V159 R161 N186W32-Q184 HydrophobicContact CB-CB 4.12Å; W32-Q184 HydrophobicContact CB-CG 4.45Å; W32-Q184 HydrophobicContact CD2-CB 3.58Å; W32-Q184 HydrophobicContact CE3-CB 3.89Å; W32-Q184 HydrophobicContact CG-CB 3.67Å; W32-Q184 HydrophobicContact CG-CG 4.37Å; W32-Q184 HydrophobicContact CZ3-CB 4.5Å; T44-Q184 WeakPolarHBondContact CG2-O 3.14Å; T44-Q184 PolarHBondContact OG1-O 2.72Å; V159-Q184 HydrophobicContact CG1-CG 3.72Å; R161-Q184 HydrophobicContact CG-CB 4.2Å; R161-Q184 HydrophobicContact CG-CG 4.39Å; Q184-N186 PolarHBondContact NE2-OD1 2.78Å
185L98.4Very high97.6Very high0 Ų033.2 Ų33.20%018%0.177CC..EExtended strand (participates in β ladder)trans-85.8126.1169.1-65.9178.3000109.4V41 L43 I160 V162 K193 W196 A197V41-L185 HydrophobicContact CG1-CB 4.3Å; V41-L185 HydrophobicContact CG1-CD1 4.32Å; V41-L185 HydrophobicContact CG1-CD2 4.31Å; L43-L185 HydrophobicContact CD2-CD2 3.53Å; L43-L185 HydrophobicContact CG-CD2 4.14Å; I160-L185 HydrophobicContact CG2-CD1 4.16Å; I160-L185 PolarHBondContact O-N 3.38Å; V162-L185 HydrophobicContact CG1-CD1 3.87Å; V162-L185 HydrophobicContact CG1-CG 4.21Å; V162-L185 HydrophobicContact CG2-CD2 4.42Å; L185-K193 HydrophobicContact CB-CB 4.37Å; L185-K193 HydrophobicContact CB-CD 4.29Å; L185-K193 HydrophobicContact CB-CG 4.16Å; L185-K193 HydrophobicContact CD1-CB 4.24Å; L185-K193 WeakPolarHBondContact CD1-O 3.23Å; L185-K193 PolarHBondContact O-NZ 2.96Å; L185-K193 VanDerWaalsContact O-NZ 3.08Å; L185-W196 HydrophobicContact CD1-CD2 4.31Å; L185-W196 HydrophobicContact CD1-CE3 3.66Å; L185-W196 HydrophobicContact CD1-CZ3 4.15Å; L185-W196 HydrophobicContact CD2-CD2 4.18Å; L185-W196 HydrophobicContact CD2-CE3 3.69Å; L185-W196 HydrophobicContact CD2-CH2 3.71Å; L185-W196 HydrophobicContact CD2-CZ2 4.01Å; L185-W196 HydrophobicContact CD2-CZ3 3.52Å; L185-W196 HydrophobicContact CG-CE3 4.35Å; L185-W196 HydrophobicContact CG-CZ3 4.45Å; L185-A197 HydrophobicContact CD1-CB 4.12Å
186N98.1Very high97.7Very high4 Ų430.7 Ų30.72%0.02116%0.164CC..EExtended strand (participates in β ladder)trans-114.5160.7172.5-75.215.1000109.7P33 R34 D35 V41 H42 T44 Q184P33-N186 PolarHBondContact O-ND2 3.2Å; R34-N186 PolarHBondContact O-ND2 3.26Å; D35-N186 WeakPolarHBondContact OD1-CA 3.4Å; D35-N186 WeakPolarHBondContact OD1-CB 3.5Å; V41-N186 CarbonylContact C-O 3.22Å; V41-N186 VanDerWaalsContact CA-O 3.31Å; V41-N186 WeakPolarHBondContact CA-O 3.28Å; H42-N186 PolarHBondContact N-O 3.21Å; H42-N186 PolarHBondContact ND1-O 3.41Å; H42-N186 PolarHBondContact O-N 3.15Å; H42-N186 VanDerWaalsContact O-N 3.13Å; T44-N186 HydrophobicContact CG2-CB 3.84Å; Q184-N186 PolarHBondContact NE2-OD1 2.78Å
187G97.6Very high97.8Very high0 Ų025 Ų250%014%0.139CC..SBendtrans87.8147.7-177.200000113.5D35 D36 Q39 V41 K193D35-G187 PolarHBondContact OD1-N 3.43Å; D36-G187 VanDerWaalsContact O-CA 3.27Å; D36-G187 WeakPolarHBondContact O-CA 3.45Å; Q39-G187 CarbonylContact O-C 3.51Å; Q39-G187 VanDerWaalsContact O-C 3.22Å; Q39-G187 WeakPolarHBondContact O-CA 3.27Å; V41-G187 WeakPolarHBondContact CG2-O 3.09Å; G187-K193 WeakPolarHBondContact O-CE 3.21Å
188G97.4Very high97.8Very high7 Ų726 Ų267%0.07215%0.145CC..SBendtrans65.7-178.4177.400000114.8P37 Q39 E192P37-G188 VanDerWaalsContact O-CA 3.28Å; P37-G188 WeakPolarHBondContact O-CA 3.44Å; P37-G188 PolarHBondContact O-N 3.04Å; Q39-G188 PolarHBondContact O-N 3.37Å; G188-E192 WeakPolarHBondContact CA-OE2 3.5Å
189T97.9Very high97.8Very high71 Ų7128.8 Ų28.844%0.43617%0.168SC..  trans-74.3162176.865.80000112A191 E192 K193T189-A191 PolarHBondContact O-N 2.79Å; T189-E192 WeakPolarHBondContact CG2-OE1 3.5Å; T189-E192 PolarHBondContact N-OE2 3.33Å; T189-E192 PolarHBondContact O-N 3.44Å; T189-E192 WeakPolarHBondContact OG1-CG 3.38Å; T189-E192 PolarHBondContact OG1-N 3.16Å; T189-E192 PolarHBondContact OG1-OE1 3.25Å; T189-K193 WeakPolarHBondContact O-CG 3.35Å; T189-K193 PolarHBondContact O-N 2.9Å
190V97.8Very high97.8Very high39 Ų3932.8 Ų32.824%0.23618%0.183CC..Hα-helixtrans-58-36.6174.2177.10000111.1C157 I160 K193 V194C157-V190 WeakPolarHBondContact O-CG1 3.26Å; I160-V190 HydrophobicContact CD1-CG1 4.22Å; I160-V190 HydrophobicContact CG1-CG1 4.01Å; V190-K193 PolarHBondContact O-N 3.09Å; V190-V194 WeakPolarHBondContact O-CG2 3.43Å; V190-V194 PolarHBondContact O-N 3.15Å
191A97.8Very high97.7Very high42 Ų4232.4 Ų32.435%0.34718%0.181SC..Hα-helixtrans-63.2-45.4178.100000112.1K154 T189 V194 A195K154-A191 HydrophobicContact CD-CB 4.12Å; K154-A191 HydrophobicContact CG-CB 4.39Å; T189-A191 PolarHBondContact O-N 2.79Å; A191-V194 PolarHBondContact O-N 3.18Å; A191-A195 WeakPolarHBondContact O-CB 3.37Å; A191-A195 PolarHBondContact O-N 3.48Å
192E98.1Very high97.6Very high92 Ų9235.7 Ų35.743%0.4320%0.196SC..Hα-helixtrans-62.4-41.5174-73.5152.6-13200111.8V41 G188 T189 V194 A195 W196V41-E192 HydrophobicContact CG2-CB 3.89Å; G188-E192 WeakPolarHBondContact CA-OE2 3.5Å; T189-E192 WeakPolarHBondContact CG2-OE1 3.5Å; T189-E192 PolarHBondContact N-OE2 3.33Å; T189-E192 PolarHBondContact O-N 3.44Å; T189-E192 WeakPolarHBondContact OG1-CG 3.38Å; T189-E192 PolarHBondContact OG1-N 3.16Å; T189-E192 PolarHBondContact OG1-OE1 3.25Å; E192-V194 VanDerWaalsContact C-N 3.33Å; E192-V194 PolarHBondContact O-N 3.23Å; E192-A195 PolarHBondContact O-N 3.41Å; E192-W196 VanDerWaalsContact O-CB 3.26Å; E192-W196 WeakPolarHBondContact O-CB 2.97Å; E192-W196 PolarHBondContact O-N 2.76Å
193K98.5Very high97.6Very high2 Ų238.3 Ų38.31%0.00921%0.207CC..Hα-helixtrans-60.5-41.9175.8-69174.3-175.7-165.60112.5D35 V41 I160 L185 G187 T189 V190 A197D35-K193 IonicContact OD1-NZ 2.81Å; D35-K193 PolarHBondContact OD1-NZ 2.64Å; D35-K193 IonicContact OD2-NZ 2.8Å; D35-K193 PolarHBondContact OD2-NZ 2.76Å; V41-K193 HydrophobicContact CG1-CG 4.08Å; V41-K193 HydrophobicContact CG2-CG 4.11Å; I160-K193 HydrophobicContact CB-CB 4.09Å; I160-K193 HydrophobicContact CG1-CB 4.13Å; I160-K193 HydrophobicContact CG2-CB 4.47Å; L185-K193 HydrophobicContact CB-CB 4.37Å; L185-K193 HydrophobicContact CB-CD 4.29Å; L185-K193 HydrophobicContact CB-CG 4.16Å; L185-K193 HydrophobicContact CD1-CB 4.24Å; L185-K193 WeakPolarHBondContact CD1-O 3.23Å; L185-K193 PolarHBondContact O-NZ 2.96Å; L185-K193 VanDerWaalsContact O-NZ 3.08Å; G187-K193 WeakPolarHBondContact O-CE 3.21Å; T189-K193 WeakPolarHBondContact O-CG 3.35Å; T189-K193 PolarHBondContact O-N 2.9Å; V190-K193 PolarHBondContact O-N 3.09Å; K193-A197 WeakPolarHBondContact O-CB 3.26Å; K193-A197 PolarHBondContact O-N 2.99Å
194V98.2Very high97.5Very high0 Ų043.7 Ų43.70%023%0.232CC..Hα-helixtrans-66.4-43.6175.9174.60000110.6F150 M153 K154 I160 V190 A191 E192 A197 Q198F150-V194 HydrophobicContact CB-CG1 4.35Å; F150-V194 HydrophobicContact CD1-CG1 3.69Å; F150-V194 HydrophobicContact CG-CG1 4.46Å; M153-V194 HydrophobicContact CB-CG2 4.09Å; K154-V194 HydrophobicContact CG-CB 3.85Å; K154-V194 HydrophobicContact CG-CG1 3.98Å; K154-V194 HydrophobicContact CG-CG2 3.92Å; I160-V194 HydrophobicContact CD1-CG2 3.69Å; I160-V194 HydrophobicContact CG1-CG2 3.82Å; V190-V194 WeakPolarHBondContact O-CG2 3.43Å; V190-V194 PolarHBondContact O-N 3.15Å; A191-V194 PolarHBondContact O-N 3.18Å; E192-V194 VanDerWaalsContact C-N 3.33Å; E192-V194 PolarHBondContact O-N 3.23Å; V194-A197 PolarHBondContact O-N 3.4Å; V194-Q198 WeakPolarHBondContact O-CB 3.24Å; V194-Q198 PolarHBondContact O-N 2.75Å
195A97.9Very high97.5Very high44 Ų4443 Ų4336%0.36423%0.229SC..Hα-helixtrans-62.6-44.9178.200000111.8A191 E192 A197 Q198 A199A191-A195 WeakPolarHBondContact O-CB 3.37Å; A191-A195 PolarHBondContact O-N 3.48Å; E192-A195 PolarHBondContact O-N 3.41Å; A195-A197 VanDerWaalsContact C-N 3.32Å; A195-A197 PolarHBondContact O-N 2.93Å; A195-Q198 PolarHBondContact O-N 2.81Å; A195-A199 WeakPolarHBondContact O-CB 3.16Å; A195-A199 PolarHBondContact O-N 3.41Å
196W97.9Very high97.4Very high28 Ų2844.5 Ų44.511%0.10624%0.238CC..Hα-helixtrans-57.5-45.1173.2-174.8111.2000111.3V41 L43 V162 L185 E192 A199 R200V41-W196 HydrophobicContact CB-CB 4.37Å; V41-W196 HydrophobicContact CB-CG 4.09Å; V41-W196 HydrophobicContact CG1-CB 3.83Å; V41-W196 HydrophobicContact CG1-CD2 3.95Å; V41-W196 HydrophobicContact CG1-CG 3.53Å; V41-W196 PolarHBondContact O-NE1 3Å; V41-W196 VanDerWaalsContact O-NE1 3.16Å; L43-W196 HydrophobicContact CD1-CH2 3.81Å; L43-W196 HydrophobicContact CD1-CZ2 4.4Å; L43-W196 HydrophobicContact CD2-CH2 3.82Å; L43-W196 HydrophobicContact CD2-CZ3 4.34Å; L43-W196 HydrophobicContact CG-CH2 3.56Å; L43-W196 HydrophobicContact CG-CZ2 4Å; V162-W196 HydrophobicContact CG1-CZ3 4.16Å; L185-W196 HydrophobicContact CD1-CD2 4.31Å; L185-W196 HydrophobicContact CD1-CE3 3.66Å; L185-W196 HydrophobicContact CD1-CZ3 4.15Å; L185-W196 HydrophobicContact CD2-CD2 4.18Å; L185-W196 HydrophobicContact CD2-CE3 3.69Å; L185-W196 HydrophobicContact CD2-CH2 3.71Å; L185-W196 HydrophobicContact CD2-CZ2 4.01Å; L185-W196 HydrophobicContact CD2-CZ3 3.52Å; L185-W196 HydrophobicContact CG-CE3 4.35Å; L185-W196 HydrophobicContact CG-CZ3 4.45Å; E192-W196 VanDerWaalsContact O-CB 3.26Å; E192-W196 WeakPolarHBondContact O-CB 2.97Å; E192-W196 PolarHBondContact O-N 2.76Å; W196-A199 PolarHBondContact O-N 2.73Å; W196-R200 HydrophobicContact CE3-CB 4.42Å; W196-R200 HydrophobicContact CE3-CG 4.49Å; W196-R200 VanDerWaalsContact CH2-CD 3.46Å; W196-R200 VanDerWaalsContact CZ2-CZ 3.41Å; W196-R200 HydrophobicContact CZ3-CB 4.24Å; W196-R200 HydrophobicContact CZ3-CG 4.48Å; W196-R200 WeakPolarHBondContact O-CB 3.34Å; W196-R200 PolarHBondContact O-N 3.1Å; W196-R200 VanDerWaalsContact O-N 3.16Å
197A97.8Very high97.4Very high0 Ų044.3 Ų44.30%024%0.237CC..Hα-helixtrans-63.7-44.1179.700000111.4V89 V162 L185 K193 V194 A195 R200 L201V89-A197 HydrophobicContact CB-CB 4.16Å; V89-A197 HydrophobicContact CG2-CB 3.88Å; V162-A197 HydrophobicContact CG1-CB 3.68Å; L185-A197 HydrophobicContact CD1-CB 4.12Å; K193-A197 WeakPolarHBondContact O-CB 3.26Å; K193-A197 PolarHBondContact O-N 2.99Å; V194-A197 PolarHBondContact O-N 3.4Å; A195-A197 VanDerWaalsContact C-N 3.32Å; A195-A197 PolarHBondContact O-N 2.93Å; A197-R200 PolarHBondContact O-N 3.19Å; A197-L201 WeakPolarHBondContact O-CG 3.2Å; A197-L201 PolarHBondContact O-N 2.58Å
198Q96.2Very high97.4Very high84 Ų8449.5 Ų49.539%0.39326%0.261SS..Hα-helixtrans-62.9-46.5177.5-173.8178.1-2.400111.6F150 V194 A195 R200 L201F150-Q198 HydrophobicContact CE1-CB 4.25Å; F150-Q198 HydrophobicContact CE1-CG 4.42Å; F150-Q198 HydrophobicContact CE2-CG 4.45Å; F150-Q198 HydrophobicContact CZ-CB 4.41Å; F150-Q198 HydrophobicContact CZ-CG 4.12Å; V194-Q198 WeakPolarHBondContact O-CB 3.24Å; V194-Q198 PolarHBondContact O-N 2.75Å; A195-Q198 PolarHBondContact O-N 2.81Å; Q198-R200 PolarHBondContact O-N 3.19Å; Q198-L201 PolarHBondContact O-N 3.41Å
199A97.3Very high97.3Very high58 Ų5851.8 Ų51.848%0.47928%0.277SS..Hα-helixtrans-66.4-20.7-179.200000113.8A195 W196 K203A195-A199 WeakPolarHBondContact O-CB 3.16Å; A195-A199 PolarHBondContact O-N 3.41Å; W196-A199 PolarHBondContact O-N 2.73Å; A199-K203 WeakPolarHBondContact O-CD 3.24Å; A199-K203 WeakPolarHBondContact O-CE 3.38Å; A199-K203 PolarHBondContact O-NZ 3.43Å
200R96.6Very high97.3Very high93 Ų9348.8 Ų48.835%0.35126%0.258SS..THydrogen-bonded Turntrans-1052.1-179.7-70.4179.4-172-161.91.8114V86 W196 A197 Q198 E202 K203V86-R200 VanDerWaalsContact CB-O 3.29Å; V86-R200 WeakPolarHBondContact CB-O 3.39Å; V86-R200 HydrophobicContact CG2-CB 4.48Å; W196-R200 HydrophobicContact CE3-CB 4.42Å; W196-R200 HydrophobicContact CE3-CG 4.49Å; W196-R200 VanDerWaalsContact CH2-CD 3.46Å; W196-R200 VanDerWaalsContact CZ2-CZ 3.41Å; W196-R200 HydrophobicContact CZ3-CB 4.24Å; W196-R200 HydrophobicContact CZ3-CG 4.48Å; W196-R200 WeakPolarHBondContact O-CB 3.34Å; W196-R200 PolarHBondContact O-N 3.1Å; W196-R200 VanDerWaalsContact O-N 3.16Å; A197-R200 PolarHBondContact O-N 3.19Å; Q198-R200 PolarHBondContact O-N 3.19Å; R200-E202 PolarHBondContact O-N 2.84Å; R200-K203 WeakPolarHBondContact O-CB 3.36Å; R200-K203 PolarHBondContact O-N 2.72Å; R200-K203 VanDerWaalsContact O-N 3.12Å
201L96.1Very high97.3Very high22 Ų2247.1 Ų47.112%0.11525%0.248CC..THydrogen-bonded Turntrans-54.4135.1170-69.9173.5000109.7V86 A107 W137 F150 A197 Q198 K203V86-L201 HydrophobicContact CG1-CD2 4.3Å; A107-L201 HydrophobicContact CB-CB 4.36Å; A107-L201 HydrophobicContact CB-CD2 4.25Å; W137-L201 HydrophobicContact CH2-CD1 3.95Å; W137-L201 HydrophobicContact CZ2-CD1 4.01Å; F150-L201 HydrophobicContact CZ-CD1 4.35Å; A197-L201 WeakPolarHBondContact O-CG 3.2Å; A197-L201 PolarHBondContact O-N 2.58Å; Q198-L201 PolarHBondContact O-N 3.41Å; L201-K203 PolarHBondContact O-N 2.93Å
202E95.4Very high97.3Very high75 Ų7548.3 Ų48.335%0.3525%0.253SS..THydrogen-bonded Turntrans67.7-7.3-179.2-50.2178.7-169.800115.2V86 A107 E108 H109 R200V86-E202 WeakPolarHBondContact O-CA 3.44Å; V86-E202 PolarHBondContact O-N 3.41Å; A107-E202 HydrophobicContact CB-CG 3.59Å; E108-E202 WeakPolarHBondContact CA-OE1 3.46Å; E108-E202 WeakPolarHBondContact CB-OE1 3.32Å; E108-E202 PolarHBondContact N-OE1 2.96Å; H109-E202 IonicContact CD2-OE1 2.82Å; H109-E202 IonicContact CD2-OE2 2.58Å; H109-E202 PolarHBondContact CD2-OE2 2.93Å; H109-E202 IonicContact CG-OE2 3.91Å; H109-E202 PolarHBondContact N-OE1 3.3Å; R200-E202 PolarHBondContact O-N 2.84Å
203K97.3Very high97.2Very high125 Ų12548.3 Ų48.354%0.54325%0.253SS..  trans-81.7149.9177.7-60.7-172.3-177.6164.60111.5V86 A199 R200 L201V86-K203 PolarHBondContact N-O 2.87Å; A199-K203 WeakPolarHBondContact O-CD 3.24Å; A199-K203 WeakPolarHBondContact O-CE 3.38Å; A199-K203 PolarHBondContact O-NZ 3.43Å; R200-K203 WeakPolarHBondContact O-CB 3.36Å; R200-K203 PolarHBondContact O-N 2.72Å; R200-K203 VanDerWaalsContact O-N 3.12Å; L201-K203 PolarHBondContact O-N 2.93Å
204Q96.9Very high97.1Very high113 Ų11349 Ų4953%0.52826%0.258SS..EExtended strand (participates in β ladder)trans-80.6137.8174-62.3-165.420.100110.4P83 L84 V85P83-Q204 HydrophobicContact CB-CB 4.12Å; L84-Q204 CarbonylContact O-C 3.58Å; L84-Q204 WeakPolarHBondContact O-CA 3.43Å; V85-Q204 HydrophobicContact CG2-CG 4.29Å
205V97.5Very high97Very high5 Ų550.5 Ų50.53%0.0327%0.265CS..EExtended strand (participates in β ladder)trans-115.4108.2174.8177.60000107.1L43 F46 L84 V86 S209 V210L43-V205 HydrophobicContact CD1-CB 4.36Å; L43-V205 HydrophobicContact CD1-CG1 3.45Å; L43-V205 VanDerWaalsContact CD1-CG1 3.45Å; L43-V205 HydrophobicContact CD1-CG2 4.25Å; F46-V205 HydrophobicContact CE2-CG1 4.37Å; F46-V205 WeakPolarHBondContact CE2-O 2.99Å; L84-V205 PolarHBondContact N-O 2.69Å; L84-V205 PolarHBondContact O-N 2.89Å; V86-V205 HydrophobicContact CG2-CG2 3.7Å; V205-S209 WeakPolarHBondContact CG1-OG 3.35Å; V205-V210 HydrophobicContact CG1-CG2 3.84Å
206P97.5Very high97Very high30 Ų3049.3 Ų49.320%0.19525%0.254CS..  trans-80.9158.6174.434.6-36.5000111H208 S209P206-H208 VanDerWaalsContact C-N 3.28Å; P206-H208 WeakPolarHBondContact CB-CE1 3.4Å; P206-H208 WeakPolarHBondContact CB-ND1 3.09Å; P206-H208 WeakPolarHBondContact CG-CE1 3.35Å; P206-H208 WeakPolarHBondContact CG-NE2 3.26Å; P206-H208 PolarHBondContact O-N 2.82Å; P206-S209 PolarHBondContact O-N 2.93Å; P206-S209 PolarHBondContact O-OG 2.86Å
207V97.9Very high97Very high0 Ų048 Ų480%025%0.248CC..G310 helixtrans-65.2-31.3-173.568.30000113.1F46 T81 S209 V210 F211 I287 D329 V331F46-V207 HydrophobicContact CD1-CB 4.23Å; F46-V207 HydrophobicContact CD1-CG2 4.05Å; F46-V207 HydrophobicContact CD2-CB 4.46Å; F46-V207 HydrophobicContact CD2-CG2 4.44Å; F46-V207 HydrophobicContact CE1-CB 3.97Å; F46-V207 HydrophobicContact CE1-CG2 4.31Å; F46-V207 HydrophobicContact CE2-CB 4.17Å; F46-V207 HydrophobicContact CG-CB 4.48Å; F46-V207 HydrophobicContact CG-CG2 4.14Å; F46-V207 HydrophobicContact CZ-CB 3.9Å; T81-V207 HydrophobicContact CG2-CG2 4.26Å; T81-V207 WeakPolarHBondContact OG1-CG1 3.45Å; V207-S209 PolarHBondContact O-N 2.97Å; V207-V210 PolarHBondContact O-N 3.15Å; V207-F211 HydrophobicContact CG2-CD2 3.76Å; V207-F211 HydrophobicContact CG2-CE2 4.44Å; V207-F211 PolarHBondContact O-N 3.19Å; V207-F211 VanDerWaalsContact O-N 3.07Å; V207-I287 HydrophobicContact CG1-CG2 3.72Å; V207-D329 HydrophobicContact CG1-CB 4.03Å; V207-V331 HydrophobicContact CG1-CG2 4.3Å; V207-V331 HydrophobicContact CG2-CG2 3.61Å
208H96.6Very high97Very high109 Ų10948 Ų4851%0.50525%0.248SC..G310 helixtrans-62.4-22.8178.663.8-108.8000113.3P206 V210 D329P206-H208 VanDerWaalsContact C-N 3.28Å; P206-H208 WeakPolarHBondContact CB-CE1 3.4Å; P206-H208 WeakPolarHBondContact CB-ND1 3.09Å; P206-H208 WeakPolarHBondContact CG-CE1 3.35Å; P206-H208 WeakPolarHBondContact CG-NE2 3.26Å; P206-H208 PolarHBondContact O-N 2.82Å; H208-V210 VanDerWaalsContact C-N 3.3Å; H208-D329 IonicContact ND1-OD2 3.42Å
209S96.3Very high97.1Very high56 Ų5644 Ų4439%0.39223%0.23SC..G310 helixtrans-81.7-10176.771.70000113.4V205 P206 V207V205-S209 WeakPolarHBondContact CG1-OG 3.35Å; P206-S209 PolarHBondContact O-N 2.93Å; P206-S209 PolarHBondContact O-OG 2.86Å; V207-S209 PolarHBondContact O-N 2.97Å
210V97.8Very high97.2Very high7 Ų741.3 Ų41.34%0.04221%0.207CC..THydrogen-bonded Turntrans-111.5-43-174.3-177.20000111.6L43 F46 V205 V207 H208 K349L43-V210 HydrophobicContact CB-CB 4.48Å; L43-V210 HydrophobicContact CB-CG1 3.93Å; L43-V210 HydrophobicContact CB-CG2 3.88Å; L43-V210 HydrophobicContact CD1-CG2 3.81Å; L43-V210 HydrophobicContact CG-CG2 4.49Å; F46-V210 HydrophobicContact CD2-CB 4.34Å; F46-V210 HydrophobicContact CD2-CG2 3.88Å; F46-V210 HydrophobicContact CE2-CG2 4.34Å; V205-V210 HydrophobicContact CG1-CG2 3.84Å; V207-V210 PolarHBondContact O-N 3.15Å; H208-V210 VanDerWaalsContact C-N 3.3Å; V210-K349 WeakPolarHBondContact O-CE 3.34Å
211F98.2Very high97.3Very high5 Ų536.9 Ų36.92%0.02219%0.191CC..  trans-121.5146.8-177.1-59.4-46.1000110.3F46 V207 E215 I217 I284 I287 L347 K349F46-F211 HydrophobicContact CB-CD2 4.33Å; F46-F211 HydrophobicContact CB-CE2 3.47Å; F46-F211 VanDerWaalsContact CB-CE2 3.47Å; F46-F211 HydrophobicContact CB-CZ 4.05Å; V207-F211 HydrophobicContact CG2-CD2 3.76Å; V207-F211 HydrophobicContact CG2-CE2 4.44Å; V207-F211 PolarHBondContact O-N 3.19Å; V207-F211 VanDerWaalsContact O-N 3.07Å; F211-E215 VanDerWaalsContact CA-OE1 3.28Å; F211-E215 WeakPolarHBondContact CA-OE1 3.47Å; F211-E215 WeakPolarHBondContact CB-OE1 3.34Å; F211-E215 WeakPolarHBondContact CD1-OE1 3.13Å; F211-E215 VanDerWaalsContact CG-OE1 3.27Å; F211-E215 WeakPolarHBondContact CG-OE1 3.48Å; F211-I217 HydrophobicContact CD1-CG2 4.03Å; F211-I217 HydrophobicContact CE1-CG2 4.09Å; F211-I217 HydrophobicContact CG-CG2 4.48Å; F211-I284 HydrophobicContact CB-CD1 3.85Å; F211-I284 HydrophobicContact CG-CD1 4.29Å; F211-I287 HydrophobicContact CB-CD1 4.03Å; F211-I287 WeakPolarHBondContact O-CD1 3.5Å; F211-L347 HydrophobicContact CE2-CB 3.47Å; F211-L347 VanDerWaalsContact CE2-CB 3.47Å; F211-L347 HydrophobicContact CE2-CD1 4.01Å; F211-L347 HydrophobicContact CE2-CG 4.39Å; F211-L347 HydrophobicContact CZ-CB 3.63Å; F211-K349 HydrophobicContact CD1-CG 4.03Å; F211-K349 HydrophobicContact CE1-CG 3.75Å
212S96.8Very high97.4Very high66 Ų6635.8 Ų35.846%0.46219%0.185SC..  trans-103.1154.3175.459.10000111.5E215S212-E215 PolarHBondContact N-OE2 3.41Å; S212-E215 VanDerWaalsContact O-CG 3.24Å; S212-E215 WeakPolarHBondContact O-CG 3.28Å; S212-E215 PolarHBondContact O-N 3.11Å; S212-E215 WeakPolarHBondContact OG-CB 3.29Å; S212-E215 PolarHBondContact OG-OE2 3.02Å
213Q96.5Very high97.5Very high93 Ų9333.7 Ų33.744%0.43518%0.177SC..THydrogen-bonded Turntrans-64.5148.1173.2-177.9166.3-30.400110E215 Y285 I363Q213-E215 PolarHBondContact O-N 3.38Å; Q213-E215 VanDerWaalsContact O-N 3.13Å; Q213-Y285 PolarHBondContact NE2-O 3.15Å; Q213-I363 PolarHBondContact NE2-O 3.25Å
214S96.1Very high97.6Very high16 Ų1634 Ų3411%0.11218%0.178CC..THydrogen-bonded Turntrans64.26.8-176.6-49.90000114.8K283 I284 I363S214-K283 WeakPolarHBondContact O-CD 3.39Å; S214-K283 WeakPolarHBondContact O-CE 3.36Å; S214-K283 PolarHBondContact O-NZ 2.73Å; S214-I284 WeakPolarHBondContact CA-O 3.16Å; S214-I284 PolarHBondContact N-O 2.86Å; S214-I284 VanDerWaalsContact N-O 3.1Å; S214-I363 PolarHBondContact OG-N 2.93Å
215E96.4Very high97.6Very high32 Ų3230.2 Ų30.215%0.1517%0.17CC..  trans-79.2166.2171.382.5-176.5-157.700112F211 S212 Q213 I217 I284F211-E215 VanDerWaalsContact CA-OE1 3.28Å; F211-E215 WeakPolarHBondContact CA-OE1 3.47Å; F211-E215 WeakPolarHBondContact CB-OE1 3.34Å; F211-E215 WeakPolarHBondContact CD1-OE1 3.13Å; F211-E215 VanDerWaalsContact CG-OE1 3.27Å; F211-E215 WeakPolarHBondContact CG-OE1 3.48Å; S212-E215 PolarHBondContact N-OE2 3.41Å; S212-E215 VanDerWaalsContact O-CG 3.24Å; S212-E215 WeakPolarHBondContact O-CG 3.28Å; S212-E215 PolarHBondContact O-N 3.11Å; S212-E215 WeakPolarHBondContact OG-CB 3.29Å; S212-E215 PolarHBondContact OG-OE2 3.02Å; Q213-E215 PolarHBondContact O-N 3.38Å; Q213-E215 VanDerWaalsContact O-N 3.13Å; E215-I217 HydrophobicContact CG-CG2 3.87Å; E215-I217 VanDerWaalsContact OE1-CG2 3.25Å; E215-I217 WeakPolarHBondContact OE1-CG2 3.33Å; E215-I284 HydrophobicContact CG-CD1 3.8Å; E215-I284 HydrophobicContact CG-CG1 4.28Å; E215-I284 PolarHBondContact O-N 2.74Å
216V97.8Very high97.6Very high19 Ų1936.9 Ų36.912%0.11520%0.195CC..EExtended strand (participates in β ladder)trans-107.5126.5177.31780000109.8N281 K283 H354 A359V216-N281 HydrophobicContact CG1-CB 3.97Å; V216-K283 HydrophobicContact CG2-CD 3.63Å; V216-H354 WeakPolarHBondContact CG1-NE2 3.39Å; V216-A359 HydrophobicContact CG2-CB 3.99Å; V216-A359 WeakPolarHBondContact CG2-O 3.38Å
217I98.2Very high97.7Very high0 Ų037.1 Ų37.10%020%0.202CC..EExtended strand (participates in β ladder)trans-125.1164.9-176.965.3162.9000112.7F211 E215 V219 N281 K282 I284 L333 L347 R348F211-I217 HydrophobicContact CD1-CG2 4.03Å; F211-I217 HydrophobicContact CE1-CG2 4.09Å; F211-I217 HydrophobicContact CG-CG2 4.48Å; E215-I217 HydrophobicContact CG-CG2 3.87Å; E215-I217 VanDerWaalsContact OE1-CG2 3.25Å; E215-I217 WeakPolarHBondContact OE1-CG2 3.33Å; I217-V219 HydrophobicContact CD1-CG2 4.47Å; I217-N281 PolarHBondContact O-N 2.82Å; I217-K282 HydrophobicContact CG1-CB 4.36Å; I217-K282 WeakPolarHBondContact CG1-O 3.41Å; I217-K282 PolarHBondContact N-O 3.36Å; I217-K282 PolarHBondContact O-N 2.89Å; I217-I284 HydrophobicContact CD1-CD1 4.13Å; I217-I284 HydrophobicContact CD1-CG1 4.17Å; I217-I284 HydrophobicContact CG1-CD1 4.37Å; I217-I284 HydrophobicContact CG1-CG1 4.11Å; I217-I284 HydrophobicContact CG2-CD1 3.84Å; I217-I284 HydrophobicContact CG2-CG1 4.23Å; I217-L333 HydrophobicContact CD1-CD1 4.33Å; I217-L333 HydrophobicContact CD1-CD2 3.63Å; I217-L333 HydrophobicContact CG1-CD2 4.03Å; I217-L347 HydrophobicContact CD1-CB 4.03Å; I217-L347 HydrophobicContact CD1-CD1 4.27Å; I217-L347 HydrophobicContact CD1-CD2 3.82Å; I217-L347 HydrophobicContact CD1-CG 4.24Å; I217-R348 WeakPolarHBondContact CB-O 3.43Å
218D98.5Very high97.7Very high0 Ų042.6 Ų42.60%024%0.236CC..EExtended strand (participates in β ladder)trans-102.3135.7171.8-63.8-27.9000110.9T278 E279 L280 N281 R348 L351D218-T278 HydrophobicContact CB-CG2 4.14Å; D218-E279 WeakPolarHBondContact CA-O 3.42Å; D218-L280 HydrophobicContact CB-CD2 4.25Å; D218-L280 VanDerWaalsContact CG-CD2 3.43Å; D218-L280 VanDerWaalsContact OD1-CA 3.26Å; D218-L280 WeakPolarHBondContact OD1-CA 3.43Å; D218-L280 VanDerWaalsContact OD1-CD2 3.25Å; D218-L280 WeakPolarHBondContact OD1-CD2 3.33Å; D218-L280 WeakPolarHBondContact OD2-CD2 3.31Å; D218-N281 PolarHBondContact OD1-N 3.3Å; D218-R348 HydrophobicContact CB-CB 4.46Å; D218-R348 PolarHBondContact N-O 2.88Å; D218-R348 PolarHBondContact O-N 3.2Å; D218-R348 IonicContact OD2-CZ 3.87Å; D218-R348 IonicContact OD2-NE 3.96Å; D218-R348 IonicContact OD2-NH2 3.53Å; D218-R348 PolarHBondContact OD2-NH2 3.04Å; D218-L351 PolarHBondContact OD2-N 2.91Å
219V98.6Very high97.8Very high0 Ų041.5 Ų41.50%023%0.23CC..EExtended strand (participates in β ladder)trans-109.6115.2-179.3-178.40000110.1I217 T278 E279 K282 L333 I337 I345 L347I217-V219 HydrophobicContact CD1-CG2 4.47Å; V219-T278 CarbonylContact O-C 3.56Å; V219-T278 WeakPolarHBondContact O-CA 3.14Å; V219-E279 PolarHBondContact N-O 2.74Å; V219-E279 PolarHBondContact O-N 3.32Å; V219-K282 HydrophobicContact CB-CG 4.4Å; V219-K282 HydrophobicContact CG2-CB 3.98Å; V219-K282 HydrophobicContact CG2-CG 3.7Å; V219-L333 HydrophobicContact CG2-CD1 3.73Å; V219-I337 HydrophobicContact CG1-CB 3.97Å; V219-I337 HydrophobicContact CG1-CD1 4.38Å; V219-I337 HydrophobicContact CG1-CG2 4.19Å; V219-I337 HydrophobicContact CG2-CG2 4.25Å; V219-I345 HydrophobicContact CG1-CG2 3.33Å; V219-L347 HydrophobicContact CG1-CD2 4.39Å; V219-L347 HydrophobicContact CG2-CD2 3.95Å
220I98.7Very high97.8Very high1 Ų140.8 Ų40.81%0.00523%0.231CC..EExtended strand (participates in β ladder)trans-111.3117.9-177-50.5174.2000109.3V29 H276 R277 T278 T346 R348V29-I220 HydrophobicContact CB-CD1 4.41Å; V29-I220 HydrophobicContact CG1-CD1 4.44Å; V29-I220 HydrophobicContact CG2-CD1 4.05Å; I220-H276 WeakPolarHBondContact CG2-NE2 3.4Å; I220-R277 WeakPolarHBondContact CA-O 3.16Å; I220-T278 HydrophobicContact CG1-CG2 3.83Å; I220-T346 PolarHBondContact N-O 2.88Å; I220-T346 PolarHBondContact O-N 3.19Å; I220-R348 HydrophobicContact CD1-CB 4.29Å
221A98.2Very high97.8Very high0 Ų041 Ų410%023%0.233CC..EExtended strand (participates in β ladder)trans-149.7174.1-176.500000113R277 A338 I345A221-R277 PolarHBondContact N-O 2.69Å; A221-R277 PolarHBondContact O-N 3.49Å; A221-A338 HydrophobicContact CB-CB 3.98Å; A221-I345 HydrophobicContact CB-CD1 3.56Å
222V98.3Very high97.7Very high0 Ų042.1 Ų42.10%024%0.239CC..EExtended strand (participates in β ladder)trans-100.8125.2168.7178.20000108.5R24 H25 Y274 H275 G339R24-V222 WeakPolarHBondContact O-CG2 3.41Å; H25-V222 VanDerWaalsContact O-CG2 3.31Å; H25-V222 WeakPolarHBondContact O-CG2 3.44Å; V222-Y274 HydrophobicContact CG1-CD1 4.05Å; V222-Y274 HydrophobicContact CG1-CD2 3.82Å; V222-Y274 HydrophobicContact CG1-CE1 4.26Å; V222-Y274 HydrophobicContact CG1-CE2 4.06Å; V222-Y274 HydrophobicContact CG1-CG 3.82Å; V222-H275 CarbonylContact C-O 3.59Å; V222-H275 WeakPolarHBondContact CA-O 3.37Å; V222-G339 VanDerWaalsContact O-CA 3.3Å; V222-G339 WeakPolarHBondContact O-CA 3.42Å
223T98.3Very high97.7Very high30 Ų3041.3 Ų41.318%0.18423%0.234CC..PPolyproline II helixtrans-66161.9-175.8610000112.7G225 Y274 H275 R277 A338T223-G225 PolarHBondContact O-N 2.98Å; T223-Y274 VanDerWaalsContact O-CA 3.24Å; T223-Y274 WeakPolarHBondContact O-CA 3.12Å; T223-Y274 PolarHBondContact O-N 3.2Å; T223-Y274 PolarHBondContact OG1-N 2.94Å; T223-Y274 VanDerWaalsContact OG1-N 3.11Å; T223-H275 PolarHBondContact N-O 2.47Å; T223-H275 PolarHBondContact OG1-N 3.16Å; T223-H275 PolarHBondContact OG1-O 3.14Å; T223-R277 HydrophobicContact CG2-CB 4.17Å; T223-R277 HydrophobicContact CG2-CG 3.67Å; T223-A338 HydrophobicContact CG2-CB 4.05Å
224K98.3Very high97.8Very high131 Ų13138.9 Ų38.957%0.5722%0.221SC*.PPolyproline II helixtrans-57.8124.7173.9-179.3172.3-176.1178.90110.1G273 Y274 T340K224-G273 WeakPolarHBondContact O-CA 3.21Å; K224-Y274 PolarHBondContact O-N 2.91Å; K224-T340 HydrophobicContact CB-CG2 3.83Å; K224-T340 HydrophobicContact CD-CG2 3.94Å; K224-T340 HydrophobicContact CG-CG2 3.58Å
225G97.8Very high97.8Very high34 Ų3438.6 Ų38.635%0.35122%0.217SC..PPolyproline II helixtrans-69139.4174.300000111.3T223T223-G225 PolarHBondContact O-N 2.98Å
226R97.9Very high97.8Very high145 Ų14543.4 Ų43.455%0.54724%0.239SC..  trans-127.610.1175.6-55.7-172.3-174.4-164.93.4112.9K229 K272R226-K229 WeakPolarHBondContact O-CE 3.48Å; R226-K272 WeakPolarHBondContact CA-O 3.45Å; R226-K272 HydrophobicContact CB-CB 4.35Å; R226-K272 HydrophobicContact CB-CG 4.4Å; R226-K272 WeakPolarHBondContact CB-O 3.27Å; R226-K272 PolarHBondContact N-O 2.79Å
227G97.8Very high97.7Very high35 Ų3543.2 Ų43.236%0.36124%0.238SC..  trans67.7-157.4-179.200000113.7K272G227-K272 PolarHBondContact O-N 3.07Å
228V98.2Very high97.7Very high115 Ų11551.7 Ų51.770%0.69728%0.275SS*.EExtended strand (participates in β ladder)trans-72.9130.1173.8-179.70000109.3G270V228-G270 WeakPolarHBondContact CA-O 3.19Å
229K98.2Very high97.6Very high87 Ų8757 Ų5738%0.37830%0.298SS..EExtended strand (participates in β ladder)trans-132.4145.7177-68.2-64.7179.1-168.40110.8R226 R234 A269 G270 K272R226-K229 WeakPolarHBondContact O-CE 3.48Å; K229-R234 HydrophobicContact CB-CB 4.42Å; K229-A269 WeakPolarHBondContact O-CA 3.44Å; K229-G270 PolarHBondContact N-O 3.23Å; K229-G270 PolarHBondContact O-N 3.46Å; K229-K272 HydrophobicContact CB-CB 3.92Å; K229-K272 HydrophobicContact CB-CD 4.28Å; K229-K272 HydrophobicContact CG-CB 3.76Å; K229-K272 HydrophobicContact CG-CD 4.01Å; K229-K272 HydrophobicContact CG-CG 4.47Å
230G97.5Very high97.6Very high41 Ų4158.9 Ų58.942%0.42331%0.308SS..  trans-65.9167.4172.400000113T232 S233 R234G230-T232 VanDerWaalsContact C-N 3.34Å; G230-T232 PolarHBondContact O-N 3.06Å; G230-S233 PolarHBondContact O-N 2.91Å; G230-R234 VanDerWaalsContact O-CB 3.32Å; G230-R234 WeakPolarHBondContact O-CB 3.47Å; G230-R234 PolarHBondContact O-N 3.04Å
231V97.4Very high97.5Very high12 Ų1263.4 Ų63.47%0.07334%0.337CS..Hα-helixtrans-56.3-42.1-174.8-67.20000113.6S233 R234 W235 V251 A267 R268V231-S233 PolarHBondContact O-N 3.02Å; V231-R234 PolarHBondContact O-N 3.11Å; V231-W235 WeakPolarHBondContact O-CA 3.15Å; V231-W235 WeakPolarHBondContact O-CB 3.47Å; V231-W235 PolarHBondContact O-N 3.3Å; V231-V251 HydrophobicContact CB-CG2 4.09Å; V231-V251 HydrophobicContact CG1-CG2 4.21Å; V231-V251 HydrophobicContact CG2-CG2 4.04Å; V231-A267 WeakPolarHBondContact CG1-O 3.41Å; V231-R268 VanDerWaalsContact CG1-C 3.41Å
232T96.6Very high97.5Very high27 Ų2772.7 Ų72.717%0.16637%0.372CS..Hα-helixtrans-59.5-44.9179.7-53.80000111.8G230 H236 T237 K239G230-T232 VanDerWaalsContact C-N 3.34Å; G230-T232 PolarHBondContact O-N 3.06Å; T232-H236 WeakPolarHBondContact O-CA 3.39Å; T232-H236 PolarHBondContact O-N 3Å; T232-T237 WeakPolarHBondContact CA-OG1 3.32Å; T232-T237 PolarHBondContact N-OG1 3.36Å; T232-K239 HydrophobicContact CG2-CG 3.82Å
233S96.7Very high97.4Very high49 Ų4981.4 Ų81.434%0.34341%0.41SS..Hα-helixtrans-78.7-39.3177.8-1690000111.6G230 V231 K272G230-S233 PolarHBondContact O-N 2.91Å; V231-S233 PolarHBondContact O-N 3.02Å; S233-K272 WeakPolarHBondContact O-CE 3.27Å; S233-K272 PolarHBondContact O-NZ 3.42Å; S233-K272 PolarHBondContact OG-NZ 3.39Å
234R97.3Very high97.3Very high42 Ų4282.1 Ų82.116%0.15841%0.414CS..Hα-helixtrans-73.1-38.7-173.5-172-179.3-176.1-149.14.5113.2H19 K229 G230 V231 R268 A269 Q271 K272H19-R234 VanDerWaalsContact CB-NH2 3.34Å; H19-R234 PolarHBondContact O-NH2 2.65Å; H19-R234 VanDerWaalsContact O-NH2 3.09Å; K229-R234 HydrophobicContact CB-CB 4.42Å; G230-R234 VanDerWaalsContact O-CB 3.32Å; G230-R234 WeakPolarHBondContact O-CB 3.47Å; G230-R234 PolarHBondContact O-N 3.04Å; V231-R234 PolarHBondContact O-N 3.11Å; R234-R268 WeakPolarHBondContact CD-O 3.34Å; R234-R268 PolarHBondContact NH1-O 3.37Å; R234-A269 PolarHBondContact NH1-O 3.45Å; R234-Q271 PolarHBondContact NE-O 3.23Å; R234-K272 HydrophobicContact CG-CB 4.48Å
235W97.2Very high97.1Very high11 Ų1183.1 Ų83.14%0.04242%0.421CS..Hα-helixtrans-118.3-2.4-173-66.4100000113.5L17 H19 V231 T237 A267 R268L17-W235 HydrophobicContact CD2-CH2 3.89Å; L17-W235 HydrophobicContact CD2-CZ2 4.31Å; H19-W235 AromaticContact CE1-CH2 3.52Å; H19-W235 AromaticContact CE1-CZ3 3.78Å; H19-W235 AromaticContact ND1-CH2 3.55Å; H19-W235 AromaticContact ND1-CZ2 3.59Å; V231-W235 WeakPolarHBondContact O-CA 3.15Å; V231-W235 WeakPolarHBondContact O-CB 3.47Å; V231-W235 PolarHBondContact O-N 3.3Å; W235-T237 HydrophobicContact CB-CG2 4Å; W235-T237 PolarHBondContact O-N 3.07Å; W235-A267 HydrophobicContact CB-CB 3.76Å; W235-A267 HydrophobicContact CD2-CB 3.96Å; W235-A267 HydrophobicContact CG-CB 3.52Å; W235-R268 VanDerWaalsContact CD1-O 3.29Å; W235-R268 PolarHBondContact NE1-O 3.35Å
236H96.1Very high96.9Very high133 Ų13389.6 Ų89.662%0.61644%0.439SS*.  trans60.533.7-180-56-86000113.1H11 T232H11-H236 PolarHBondContact CE1-O 3.41Å; H11-H236 PolarHBondContact ND1-O 3.3Å; H11-H236 VanDerWaalsContact ND1-O 3.16Å; T232-H236 WeakPolarHBondContact O-CA 3.39Å; T232-H236 PolarHBondContact O-N 3Å
237T96.5Very high96.7Very high14 Ų1484.8 Ų84.89%0.08644%0.435CS..PPolyproline II helixtrans-70.1146.3175.261.70000110.8H11 T232 W235 V251 A267H11-T237 HydrophobicContact CB-CG2 4.18Å; T232-T237 WeakPolarHBondContact CA-OG1 3.32Å; T232-T237 PolarHBondContact N-OG1 3.36Å; W235-T237 HydrophobicContact CB-CG2 4Å; W235-T237 PolarHBondContact O-N 3.07Å; T237-V251 HydrophobicContact CG2-CG2 4Å; T237-A267 HydrophobicContact CG2-CB 4.02Å
238K96.5Very high96.6Very high179 Ų17985.7 Ų85.778%0.77843%0.431SS*.PPolyproline II helixtrans-57.4140.5172.3-167.7175.1177.61760110
239K97.3Very high96.6Very high110 Ų11088.4 Ų88.448%0.47843%0.429SS..PPolyproline II helixtrans-71.3147.7171.1-67.6174.6-175.8168.50109.1T232 L248T232-K239 HydrophobicContact CG2-CG 3.82Å; K239-L248 HydrophobicContact CB-CD1 3.84Å; K239-L248 HydrophobicContact CD-CD1 3.83Å; K239-L248 HydrophobicContact CG-CD1 3.97Å
240L97.8Very high96.5Very high41 Ų4188 Ų8822%0.21543%0.427CS..PPolyproline II helixtrans-72.2163.6171.8-56.6-178.9000111.1T244 L248 K250 A252L240-T244 HydrophobicContact CB-CG2 3.75Å; L240-T244 HydrophobicContact CD1-CG2 4.3Å; L240-L248 HydrophobicContact CB-CB 4.27Å; L240-L248 PolarHBondContact N-O 3.41Å; L240-K250 HydrophobicContact CD1-CD 4.31Å; L240-K250 HydrophobicContact CD1-CG 3.61Å; L240-A252 HydrophobicContact CD1-CB 4.3Å; L240-A252 HydrophobicContact CD2-CB 3.95Å
241P97.9Very high96.5Very high95 Ų9587.9 Ų87.962%0.61742%0.418SS*.PPolyproline II helixtrans-54.7152.8175.7-2736000113.2K243 T244P241-K243 PolarHBondContact O-N 2.92Å; P241-T244 HydrophobicContact CB-CG2 4.47Å; P241-T244 WeakPolarHBondContact O-CG2 3.5Å; P241-T244 PolarHBondContact O-N 2.77Å; P241-T244 PolarHBondContact O-OG1 2.68Å; P241-T244 VanDerWaalsContact O-OG1 3.06Å
242R97.2Very high96.4Very high196 Ų19691.1 Ų91.174%0.7445%0.446SS*.THydrogen-bonded Turntrans-55.7-38.5-176.3-173.4-176.96476.2-6.9113.1T244R242-T244 PolarHBondContact O-N 2.86Å
243K96.5Very high96.3Very high182 Ų18294.4 Ų94.479%0.79147%0.469SS*.THydrogen-bonded Turntrans-81.112.4-175.3-63.1-172.9177.4-176.20114.3P241P241-K243 PolarHBondContact O-N 2.92Å
244T96.2Very high96.3Very high45 Ų4595.5 Ų95.528%0.27647%0.47SS..  trans-74.2130.1177.154.10000112.6L240 P241 R242L240-T244 HydrophobicContact CB-CG2 3.75Å; L240-T244 HydrophobicContact CD1-CG2 4.3Å; P241-T244 HydrophobicContact CB-CG2 4.47Å; P241-T244 WeakPolarHBondContact O-CG2 3.5Å; P241-T244 PolarHBondContact O-N 2.77Å; P241-T244 PolarHBondContact O-OG1 2.68Å; P241-T244 VanDerWaalsContact O-OG1 3.06Å; R242-T244 PolarHBondContact O-N 2.86Å
245H94.5Very high96.2Very high152 Ų15295.3 Ų95.370%0.70448%0.482SS*.THydrogen-bonded Turntrans-67.3147.2171.6-171.2-133.3000112.1G247 K250H245-G247 VanDerWaalsContact C-N 3.33Å; H245-G247 PolarHBondContact O-N 3.23Å; H245-K250 PolarHBondContact O-NZ 3.5Å; H245-K250 VanDerWaalsContact O-NZ 3.07Å
246K92.7Very high96.1Very high170 Ų17098.6 Ų98.674%0.73951%0.511SS*.THydrogen-bonded Turntrans57.341.1-179.4-58.9175.3179.9-179.30113.6K250K246-K250 PolarHBondContact O-NZ 3.31Å
247G94.4Very high96Very high44 Ų44102.5 Ų102.545%0.45452%0.521SS..  trans83.9149.616800000116.2H245 K250H245-G247 VanDerWaalsContact C-N 3.33Å; H245-G247 PolarHBondContact O-N 3.23Å; G247-K250 WeakPolarHBondContact O-CE 3.39Å; G247-K250 PolarHBondContact O-NZ 3.38Å
248L96.8Very high95.9Very high54 Ų54108.5 Ų108.528%0.28355%0.547SS..SBendtrans-101.8-11-171.964.891.6000115.2K239 L240 K250K239-L248 HydrophobicContact CB-CD1 3.84Å; K239-L248 HydrophobicContact CD-CD1 3.83Å; K239-L248 HydrophobicContact CG-CD1 3.97Å; L240-L248 HydrophobicContact CB-CB 4.27Å; L240-L248 PolarHBondContact N-O 3.41Å; L248-K250 VanDerWaalsContact C-N 3.34Å; L248-K250 PolarHBondContact O-N 3.06Å
249R96.9Very high95.8Very high172 Ų172104.3 Ų104.365%0.64954%0.539SS*.SBendtrans-96.649.2-174.9-61.5-175.9-179-179.60112.2
250K96.6Very high95.8Very high79 Ų79103.6 Ų103.634%0.34355%0.553SS.*SBendtrans-132.7163.9-177.865.4-171.5176.9-164.10111.3L240 H245 K246 G247 L248L240-K250 HydrophobicContact CD1-CD 4.31Å; L240-K250 HydrophobicContact CD1-CG 3.61Å; H245-K250 PolarHBondContact O-NZ 3.5Å; H245-K250 VanDerWaalsContact O-NZ 3.07Å; K246-K250 PolarHBondContact O-NZ 3.31Å; G247-K250 WeakPolarHBondContact O-CE 3.39Å; G247-K250 PolarHBondContact O-NZ 3.38Å; L248-K250 VanDerWaalsContact C-N 3.34Å; L248-K250 PolarHBondContact O-N 3.06Å
251V96.9Very high95.8Very high39 Ų39111.3 Ų111.324%0.23658%0.579CS.*  trans-84.9128164.3172.60000106.3V231 T237 C253 I254 A267V231-V251 HydrophobicContact CB-CG2 4.09Å; V231-V251 HydrophobicContact CG1-CG2 4.21Å; V231-V251 HydrophobicContact CG2-CG2 4.04Å; T237-V251 HydrophobicContact CG2-CG2 4Å; V251-C253 VanDerWaalsContact CG1-O 3.26Å; V251-C253 WeakPolarHBondContact CG1-O 3.11Å; V251-I254 HydrophobicContact CG1-CG2 4.34Å; V251-A267 HydrophobicContact CG2-CB 4.15Å
252A95.8Very high95.7Very high79 Ų79110.2 Ų110.265%0.65357%0.571SS**SBendtrans-69.4-58.1-175.700000112L240L240-A252 HydrophobicContact CD1-CB 4.3Å; L240-A252 HydrophobicContact CD2-CB 3.95Å
253C94.7Very high95.6Very high96 Ų96102.3 Ų102.365%0.64955%0.55SS**  trans-106121.3177.8178.30000109.9V251 G255V251-C253 VanDerWaalsContact CG1-O 3.26Å; V251-C253 WeakPolarHBondContact CG1-O 3.11Å; C253-G255 PolarHBondContact SG-O 2.82Å
254I96.3Very high95.6Very high72 Ų7299.2 Ų99.237%0.36955%0.55SS.*  trans-98.24-17860.3169.2000113.7V251 V262 I266V251-I254 HydrophobicContact CG1-CG2 4.34Å; I254-V262 HydrophobicContact CD1-CG2 3.89Å; I254-I266 HydrophobicContact CB-CG2 4.11Å; I254-I266 HydrophobicContact CG2-CG2 4.3Å; I254-I266 WeakPolarHBondContact O-CD1 3.22Å; I254-I266 VanDerWaalsContact O-CG1 3.3Å; I254-I266 WeakPolarHBondContact O-CG1 3.43Å
255G95.1Very high95.6Very high39 Ų3999.2 Ų99.240%0.40255%0.552SS.*  trans162.4160.4-17900000111.1C253C253-G255 PolarHBondContact SG-O 2.82Å
256A94.6Very high95.7Very high80 Ų8093.8 Ų93.866%0.66153%0.528SS*.  trans-74171.7166.400000110.4
257W94.3Very high95.9Very high215 Ų21586.3 Ų86.381%0.81450%0.497SS*.SBendtrans-61.5-51.3173.7-173-14.1000110.7P259 A260W257-P259 CarbonylContact O-C 3.55Å; W257-P259 VanDerWaalsContact O-C 3.25Å; W257-A260 WeakPolarHBondContact O-CA 3.37Å; W257-A260 PolarHBondContact O-N 3.32Å
258H94.8Very high96Very high139 Ų13990.1 Ų90.164%0.64450%0.498SS*.SBendtrans-108.7125.1176.3-62.193.8000109.1
259P95.4Very high96.1Very high92 Ų9290.4 Ų90.460%0.59751%0.508SS*.SBendcis-751452.931.2-35.8000113.5W257 R261W257-P259 CarbonylContact O-C 3.55Å; W257-P259 VanDerWaalsContact O-C 3.25Å; P259-R261 HydrophobicContact CB-CG 4.44Å; P259-R261 PolarHBondContact O-N 2.89Å
260A96.4Very high96.1Very high95 Ų9583 Ų8379%0.78549%0.485SS*.SBendtrans-74.345.5-177.200000113.9W257W257-A260 WeakPolarHBondContact O-CA 3.37Å; W257-A260 PolarHBondContact O-N 3.32Å
261R96.9Very high96.2Very high202 Ų20281 Ų8176%0.76248%0.477SS*.SBendtrans-150.8145.3176.966.8-175.2-172.7-174.1-0.4111P259 G263P259-R261 HydrophobicContact CB-CG 4.44Å; P259-R261 PolarHBondContact O-N 2.89Å; R261-G263 PolarHBondContact O-N 3.22Å
262V96.9Very high96.3Very high73 Ų7380.5 Ų80.544%0.44247%0.472SS..  trans-72.7116.6172.4-177.10000109I254 I266I254-V262 HydrophobicContact CD1-CG2 3.89Å; V262-I266 HydrophobicContact CG1-CB 4.21Å; V262-I266 HydrophobicContact CG1-CD1 3.95Å; V262-I266 HydrophobicContact CG1-CG2 4.39Å
263G95.8Very high96.3Very high29 Ų2977 Ų7730%0.29944%0.444SS..  trans-63.5146.4176.400000113.2R261 S265 I266R261-G263 PolarHBondContact O-N 3.22Å; G263-S265 PolarHBondContact O-N 3.36Å; G263-S265 VanDerWaalsContact O-N 3.09Å; G263-I266 WeakPolarHBondContact O-CD1 3.24Å; G263-I266 PolarHBondContact O-N 2.82Å; G263-I266 VanDerWaalsContact O-N 3.07Å
264C95.6Very high96.5Very high118 Ų11874.5 Ų74.580%0.79742%0.421SS*.THydrogen-bonded Turntrans-63-17.9178.464.70000113.7
265S95.9Very high96.6Very high44 Ų4472 Ų7231%0.30841%0.408SS..THydrogen-bonded Turntrans-84.6-8.7178.872.90000112.9R10 G263R10-S265 PolarHBondContact NH1-O 2.85Å; R10-S265 PolarHBondContact NH2-O 2.94Å; G263-S265 PolarHBondContact O-N 3.36Å; G263-S265 VanDerWaalsContact O-N 3.09Å
266I96.6Very high96.8Very high39 Ų3971.9 Ų71.920%0.240%0.397CS..SBendtrans-74.1136.2178-73.2122.6000110.7I254 V262 G263 R268I254-I266 HydrophobicContact CB-CG2 4.11Å; I254-I266 HydrophobicContact CG2-CG2 4.3Å; I254-I266 WeakPolarHBondContact O-CD1 3.22Å; I254-I266 VanDerWaalsContact O-CG1 3.3Å; I254-I266 WeakPolarHBondContact O-CG1 3.43Å; V262-I266 HydrophobicContact CG1-CB 4.21Å; V262-I266 HydrophobicContact CG1-CD1 3.95Å; V262-I266 HydrophobicContact CG1-CG2 4.39Å; G263-I266 WeakPolarHBondContact O-CD1 3.24Å; G263-I266 PolarHBondContact O-N 2.82Å; G263-I266 VanDerWaalsContact O-N 3.07Å; I266-R268 PolarHBondContact O-N 2.95Å
267A97.1Very high96.9Very high12 Ų1270.6 Ų70.610%0.09938%0.375CS..  trans-66.5116.6177.500000110.7V231 W235 T237 V251V231-A267 WeakPolarHBondContact CG1-O 3.41Å; W235-A267 HydrophobicContact CB-CB 3.76Å; W235-A267 HydrophobicContact CD2-CB 3.96Å; W235-A267 HydrophobicContact CG-CB 3.52Å; T237-A267 HydrophobicContact CG2-CB 4.02Å; V251-A267 HydrophobicContact CG2-CB 4.15Å
268R97.5Very high97.1Very high125 Ų12563 Ų6347%0.47235%0.352SS..  trans-122.2155.1177-60.9-64.9-72.9-116.7-2.1111.8V231 R234 W235 I266V231-R268 VanDerWaalsContact CG1-C 3.41Å; R234-R268 WeakPolarHBondContact CD-O 3.34Å; R234-R268 PolarHBondContact NH1-O 3.37Å; W235-R268 VanDerWaalsContact CD1-O 3.29Å; W235-R268 PolarHBondContact NE1-O 3.35Å; I266-R268 PolarHBondContact O-N 2.95Å
269A97.7Very high97.3Very high59 Ų5958.7 Ų58.749%0.48833%0.332SS..  trans-61.8158.3170.800000110.6K229 R234K229-A269 WeakPolarHBondContact O-CA 3.44Å; R234-A269 PolarHBondContact NH1-O 3.45Å
270G97.9Very high97.3Very high16 Ų1658.5 Ų58.517%0.16533%0.326CS..EExtended strand (participates in β ladder)trans153.7-163.1177.900000112.8V228 K229 K272V228-G270 WeakPolarHBondContact CA-O 3.19Å; K229-G270 PolarHBondContact N-O 3.23Å; K229-G270 PolarHBondContact O-N 3.46Å; G270-K272 PolarHBondContact O-N 3.16Å
271Q98.1Very high97.3Very high37 Ų3757.8 Ų57.817%0.17331%0.309CS..EExtended strand (participates in β ladder)trans-56.7130.3-178.3179.26526.600112.2R21 R234 G273R21-Q271 HydrophobicContact CG-CG 3.84Å; R234-Q271 PolarHBondContact NE-O 3.23Å; Q271-G273 PolarHBondContact NE2-O 2.74Å
272K97.9Very high97.4Very high29 Ų2949.7 Ų49.713%0.12628%0.279CS..  trans-118.6127.8168.5-175.1177.6-178.3170.80110.5R226 G227 K229 S233 R234 G270R226-K272 WeakPolarHBondContact CA-O 3.45Å; R226-K272 HydrophobicContact CB-CB 4.35Å; R226-K272 HydrophobicContact CB-CG 4.4Å; R226-K272 WeakPolarHBondContact CB-O 3.27Å; R226-K272 PolarHBondContact N-O 2.79Å; G227-K272 PolarHBondContact O-N 3.07Å; K229-K272 HydrophobicContact CB-CB 3.92Å; K229-K272 HydrophobicContact CB-CD 4.28Å; K229-K272 HydrophobicContact CG-CB 3.76Å; K229-K272 HydrophobicContact CG-CD 4.01Å; K229-K272 HydrophobicContact CG-CG 4.47Å; S233-K272 WeakPolarHBondContact O-CE 3.27Å; S233-K272 PolarHBondContact O-NZ 3.42Å; S233-K272 PolarHBondContact OG-NZ 3.39Å; R234-K272 HydrophobicContact CG-CB 4.48Å; G270-K272 PolarHBondContact O-N 3.16Å
273G97.6Very high97.4Very high7 Ų746.8 Ų46.87%0.07226%0.261CS..SBendtrans74.9-179.1179.500000113.1K224 Q271 H275K224-G273 WeakPolarHBondContact O-CA 3.21Å; Q271-G273 PolarHBondContact NE2-O 2.74Å; G273-H275 PolarHBondContact N-NE2 2.9Å; G273-H275 PolarHBondContact O-CE1 2.84Å
274Y98.4Very high97.6Very high42 Ų4245.4 Ų45.417%0.16525%0.247CC..  trans61.335.2-165.6-150.3-99.5000112.3R21 S22 H25 V222 T223 K224R21-Y274 CarbonylContact C-O 3.6Å; R21-Y274 WeakPolarHBondContact CA-O 3.27Å; R21-Y274 HydrophobicContact CB-CD1 3.9Å; R21-Y274 HydrophobicContact CG-CD1 4.16Å; S22-Y274 PolarHBondContact N-O 3.44Å; S22-Y274 WeakPolarHBondContact O-CE1 3.4Å; H25-Y274 PolarHBondContact ND1-OH 2.97Å; V222-Y274 HydrophobicContact CG1-CD1 4.05Å; V222-Y274 HydrophobicContact CG1-CD2 3.82Å; V222-Y274 HydrophobicContact CG1-CE1 4.26Å; V222-Y274 HydrophobicContact CG1-CE2 4.06Å; V222-Y274 HydrophobicContact CG1-CG 3.82Å; T223-Y274 VanDerWaalsContact O-CA 3.24Å; T223-Y274 WeakPolarHBondContact O-CA 3.12Å; T223-Y274 PolarHBondContact O-N 3.2Å; T223-Y274 PolarHBondContact OG1-N 2.94Å; T223-Y274 VanDerWaalsContact OG1-N 3.11Å; K224-Y274 PolarHBondContact O-N 2.91Å
275H98.3Very high97.7Very high19 Ų1939.9 Ų39.99%0.08821%0.209CC..  trans-100.1148.5177.3-50.4-48.2000110.1K20 V222 T223 G273K20-H275 PolarHBondContact O-ND1 2.87Å; V222-H275 CarbonylContact C-O 3.59Å; V222-H275 WeakPolarHBondContact CA-O 3.37Å; T223-H275 PolarHBondContact N-O 2.47Å; T223-H275 PolarHBondContact OG1-N 3.16Å; T223-H275 PolarHBondContact OG1-O 3.14Å; G273-H275 PolarHBondContact N-NE2 2.9Å; G273-H275 PolarHBondContact O-CE1 2.84Å
276H98.3Very high97.8Very high37 Ų3739.6 Ų39.617%0.17120%0.201CC..EExtended strand (participates in β ladder)trans-73.1127.6169.3174.7-87.5000109.3K28 I220K28-H276 PolarHBondContact N-NE2 2.81Å; K28-H276 PolarHBondContact O-NE2 2.67Å; I220-H276 WeakPolarHBondContact CG2-NE2 3.4Å
277R97.9Very high97.8Very high53 Ų5339.3 Ų39.320%0.220%0.199CC..EExtended strand (participates in β ladder)trans-139.9150.3178.4-66.6-64.6-179.7-98.52.9110.1I220 A221 T223I220-R277 WeakPolarHBondContact CA-O 3.16Å; A221-R277 PolarHBondContact N-O 2.69Å; A221-R277 PolarHBondContact O-N 3.49Å; T223-R277 HydrophobicContact CG2-CB 4.17Å; T223-R277 HydrophobicContact CG2-CG 3.67Å
278T98.1Very high97.7Very high56 Ų5639 Ų3934%0.34420%0.198SC..EExtended strand (participates in β ladder)trans-114.2124166.7-58.30000106.7D218 V219 I220 L280D218-T278 HydrophobicContact CB-CG2 4.14Å; V219-T278 CarbonylContact O-C 3.56Å; V219-T278 WeakPolarHBondContact O-CA 3.14Å; I220-T278 HydrophobicContact CG1-CG2 3.83Å; T278-L280 HydrophobicContact CG2-CD2 3.65Å; T278-L280 HydrophobicContact CG2-CG 4.45Å
279E97.9Very high97.6Very high48 Ų4840.6 Ų40.622%0.22420%0.204CC..EExtended strand (participates in β ladder)trans-97.6120.1166.1-68.1179.8-146.800107.2D218 V219 K282 A338D218-E279 WeakPolarHBondContact CA-O 3.42Å; V219-E279 PolarHBondContact N-O 2.74Å; V219-E279 PolarHBondContact O-N 3.32Å; E279-K282 WeakPolarHBondContact OE2-CE 3.4Å; E279-K282 IonicContact OE2-NZ 3.48Å; E279-K282 PolarHBondContact OE2-NZ 2.83Å; E279-A338 WeakPolarHBondContact OE1-CA 3.49Å; E279-A338 VanDerWaalsContact OE1-CB 3.28Å; E279-A338 WeakPolarHBondContact OE1-CB 3.28Å; E279-A338 PolarHBondContact OE1-N 3.36Å
280L97.3Very high97.3Very high88 Ų8838 Ų3846%0.46118%0.183SC..EExtended strand (participates in β ladder)trans-85.3161.8-179.1-56.5174.2000110.4D218 T278 K282D218-L280 HydrophobicContact CB-CD2 4.25Å; D218-L280 VanDerWaalsContact CG-CD2 3.43Å; D218-L280 VanDerWaalsContact OD1-CA 3.26Å; D218-L280 WeakPolarHBondContact OD1-CA 3.43Å; D218-L280 VanDerWaalsContact OD1-CD2 3.25Å; D218-L280 WeakPolarHBondContact OD1-CD2 3.33Å; D218-L280 WeakPolarHBondContact OD2-CD2 3.31Å; T278-L280 HydrophobicContact CG2-CD2 3.65Å; T278-L280 HydrophobicContact CG2-CG 4.45Å; L280-K282 PolarHBondContact O-N 2.92Å
281N96.4Very high96.8Very high81 Ų8139.7 Ų39.743%0.43319%0.188SC..EExtended strand (participates in β ladder)trans61.839.9163.4-50-8.9000115.2V216 I217 D218 H354V216-N281 HydrophobicContact CG1-CB 3.97Å; I217-N281 PolarHBondContact O-N 2.82Å; D218-N281 PolarHBondContact OD1-N 3.3Å; N281-H354 VanDerWaalsContact CG-CE1 3.43Å; N281-H354 PolarHBondContact OD1-CE1 3.35Å; N281-H354 PolarHBondContact OD1-NE2 3.06Å
282K98Very high96.3Very high32 Ų3240.6 Ų40.614%0.13919%0.192CC..EExtended strand (participates in β ladder)trans-84.5114.2173.2-62-64.8177.3167.30109.6I217 V219 E279 L280 C336I217-K282 HydrophobicContact CG1-CB 4.36Å; I217-K282 WeakPolarHBondContact CG1-O 3.41Å; I217-K282 PolarHBondContact N-O 3.36Å; I217-K282 PolarHBondContact O-N 2.89Å; V219-K282 HydrophobicContact CB-CG 4.4Å; V219-K282 HydrophobicContact CG2-CB 3.98Å; V219-K282 HydrophobicContact CG2-CG 3.7Å; E279-K282 WeakPolarHBondContact OE2-CE 3.4Å; E279-K282 IonicContact OE2-NZ 3.48Å; E279-K282 PolarHBondContact OE2-NZ 2.83Å; L280-K282 PolarHBondContact O-N 2.92Å; K282-C336 PolarHBondContact NZ-O 2.78Å
283K97.9Very high95.7Very high12 Ų1245.2 Ų45.25%0.05222%0.215CC..EExtended strand (participates in β ladder)trans-71.3132.6174.8-169.375.1163.9-177.70110S214 V216 Y285 K334 A359 E361 I363S214-K283 WeakPolarHBondContact O-CD 3.39Å; S214-K283 WeakPolarHBondContact O-CE 3.36Å; S214-K283 PolarHBondContact O-NZ 2.73Å; V216-K283 HydrophobicContact CG2-CD 3.63Å; K283-Y285 HydrophobicContact CB-CD1 4.25Å; K283-Y285 HydrophobicContact CB-CE1 3.94Å; K283-Y285 HydrophobicContact CG-CD1 3.98Å; K283-Y285 HydrophobicContact CG-CE1 3.8Å; K283-K334 HydrophobicContact CB-CB 4.24Å; K283-K334 PolarHBondContact O-N 2.72Å; K283-A359 PolarHBondContact NZ-O 2.94Å; K283-E361 WeakPolarHBondContact CE-O 3.46Å; K283-E361 PolarHBondContact NZ-O 3.14Å; K283-I363 HydrophobicContact CG-CD1 4.36Å; K283-I363 HydrophobicContact CG-CG1 4.05Å
284I98.4Very high95Very high0 Ų049.8 Ų49.80%024%0.235CC..EExtended strand (participates in β ladder)trans-81121.9169.2-58-172.4000108.3F211 S214 E215 I217 I287 V331 L333F211-I284 HydrophobicContact CB-CD1 3.85Å; F211-I284 HydrophobicContact CG-CD1 4.29Å; S214-I284 WeakPolarHBondContact CA-O 3.16Å; S214-I284 PolarHBondContact N-O 2.86Å; S214-I284 VanDerWaalsContact N-O 3.1Å; E215-I284 HydrophobicContact CG-CD1 3.8Å; E215-I284 HydrophobicContact CG-CG1 4.28Å; E215-I284 PolarHBondContact O-N 2.74Å; I217-I284 HydrophobicContact CD1-CD1 4.13Å; I217-I284 HydrophobicContact CD1-CG1 4.17Å; I217-I284 HydrophobicContact CG1-CD1 4.37Å; I217-I284 HydrophobicContact CG1-CG1 4.11Å; I217-I284 HydrophobicContact CG2-CD1 3.84Å; I217-I284 HydrophobicContact CG2-CG1 4.23Å; I284-I287 HydrophobicContact CD1-CD1 4.44Å; I284-I287 HydrophobicContact CG2-CD1 4.32Å; I284-I287 HydrophobicContact CG2-CG1 3.67Å; I284-V331 HydrophobicContact CB-CG1 4.48Å; I284-V331 HydrophobicContact CD1-CG1 3.96Å; I284-V331 HydrophobicContact CG1-CG1 4.03Å; I284-V331 HydrophobicContact CG2-CG1 3.83Å; I284-L333 HydrophobicContact CG1-CD2 3.77Å
285Y97.9Very high94.1Very high1 Ų155.3 Ų55.30%0.00427%0.267CS..EExtended strand (participates in β ladder)trans-90.2-37.6178.9-81.318.9000111.5E74 V76 Q213 K283 M332 K334 I363 L365E74-Y285 HydrophobicContact CB-CE2 4.27Å; E74-Y285 PolarHBondContact OE1-OH 2.85Å; E74-Y285 WeakPolarHBondContact OE2-CE2 3.36Å; E74-Y285 PolarHBondContact OE2-OH 2.9Å; V76-Y285 HydrophobicContact CG1-CD2 3.66Å; V76-Y285 HydrophobicContact CG1-CE2 4.08Å; V76-Y285 HydrophobicContact CG1-CG 4.41Å; Q213-Y285 PolarHBondContact NE2-O 3.15Å; K283-Y285 HydrophobicContact CB-CD1 4.25Å; K283-Y285 HydrophobicContact CB-CE1 3.94Å; K283-Y285 HydrophobicContact CG-CD1 3.98Å; K283-Y285 HydrophobicContact CG-CE1 3.8Å; Y285-M332 PolarHBondContact N-O 3Å; Y285-K334 HydrophobicContact CD1-CB 4.18Å; Y285-K334 HydrophobicContact CE1-CB 3.63Å; Y285-K334 HydrophobicContact CE1-CD 4.1Å; Y285-K334 HydrophobicContact CE1-CG 4.02Å; Y285-K334 WeakPolarHBondContact OH-CD 3.25Å; Y285-K334 WeakPolarHBondContact OH-CG 3.43Å; Y285-K334 PolarHBondContact OH-NZ 2.79Å; Y285-I363 HydrophobicContact CD1-CB 4.47Å; Y285-I363 HydrophobicContact CD1-CD1 4.38Å; Y285-I363 HydrophobicContact CD1-CG1 3.96Å; Y285-I363 HydrophobicContact CD1-CG2 3.95Å; Y285-I363 HydrophobicContact CD2-CG2 4.19Å; Y285-I363 HydrophobicContact CE1-CD1 4Å; Y285-I363 HydrophobicContact CE1-CG1 4.09Å; Y285-I363 HydrophobicContact CE1-CG2 4.39Å; Y285-I363 HydrophobicContact CG-CG2 3.82Å; Y285-L365 HydrophobicContact CD2-CD2 3.87Å; Y285-L365 HydrophobicContact CG-CD2 4.42Å
286R97.6Very high93.3Very high39 Ų3957.5 Ų57.515%0.14730%0.295CS..EExtended strand (participates in β ladder)trans-153.5140.8178-175.5173.9-77.6-165.7-4.6110N302 S304 M332 L365R286-N302 PolarHBondContact NH1-O 3.2Å; R286-S304 PolarHBondContact NH1-O 3.21Å; R286-S304 PolarHBondContact NH2-O 3Å; R286-M332 HydrophobicContact CB-CB 4.18Å; R286-M332 HydrophobicContact CB-SD 4.39Å; R286-M332 PolarHBondContact O-N 2.95Å; R286-L365 HydrophobicContact CB-CD1 4.24Å
287I97.6Very high92.6Very high32 Ų3263.5 Ų63.516%0.16432%0.32CS..EExtended strand (participates in β ladder)trans-106.9101.7162.6-57.2-178.1000105.6V207 F211 I284 F330V207-I287 HydrophobicContact CG1-CG2 3.72Å; F211-I287 HydrophobicContact CB-CD1 4.03Å; F211-I287 WeakPolarHBondContact O-CD1 3.5Å; I284-I287 HydrophobicContact CD1-CD1 4.44Å; I284-I287 HydrophobicContact CG2-CD1 4.32Å; I284-I287 HydrophobicContact CG2-CG1 3.67Å; I287-F330 CarbonylContact C-O 3.58Å; I287-F330 WeakPolarHBondContact CA-O 2.91Å
288G95.4Very high92Very high6 Ų665 Ų656%0.06233%0.332CS..EExtended strand (participates in β ladder)trans-91.3138.1-177.600000110.7D329 F330G288-D329 CarbonylContact O-C 3.55Å; G288-D329 VanDerWaalsContact O-CA 3.27Å; G288-D329 WeakPolarHBondContact O-CA 3.23Å; G288-F330 PolarHBondContact N-O 2.75Å; G288-F330 PolarHBondContact O-N 2.89Å
289R94.3Very high91.4Very high159 Ų15963.6 Ų63.660%0.632%0.323SS*.  trans-68.7147.2169.3-68.2-173.3179.1-177.81110.2N302 D329R289-N302 VanDerWaalsContact O-CB 3.23Å; R289-N302 WeakPolarHBondContact O-CB 3.45Å; R289-N302 PolarHBondContact O-ND2 2.82Å; R289-D329 WeakPolarHBondContact CA-OD1 3.17Å
290G91.1Very high90.8Very high5 Ų566.5 Ų66.55%0.05234%0.335CS..  trans-62.5176.8170.400000112.2H292 N327 N328 D329G290-H292 PolarHBondContact O-N 2.79Å; G290-H292 PolarHBondContact O-ND1 3.13Å; G290-N327 CarbonylContact C-O 3.52Å; G290-N327 VanDerWaalsContact CA-O 3.25Å; G290-N327 WeakPolarHBondContact CA-O 3.2Å; G290-N328 WeakPolarHBondContact CA-O 3.46Å; G290-D329 PolarHBondContact N-OD1 3.38Å
291L88.9Confident90.4Very high51 Ų5166.3 Ų66.327%0.26734%0.335SS..SBendtrans-66.1120.4169.7-56.2-173.9000107.8L298 K300 N327L291-L298 HydrophobicContact CB-CD1 4.17Å; L291-K300 HydrophobicContact CD2-CB 3.98Å; L291-K300 HydrophobicContact CD2-CG 3.92Å; L291-N327 HydrophobicContact CD1-CB 4.41Å; L291-N327 WeakPolarHBondContact CD1-OD1 3.3Å; L291-N327 PolarHBondContact N-O 3.17Å
292H86.2Confident90.1Very high56 Ų5663.3 Ų63.326%0.25932%0.318SS..EExtended strand (participates in β ladder)trans-135.7156.8-178.558-73.1000110.2G290 E294 V299G290-H292 PolarHBondContact O-N 2.79Å; G290-H292 PolarHBondContact O-ND1 3.13Å; H292-E294 IonicContact NE2-OE2 3.88Å; H292-V299 PolarHBondContact O-N 3.11Å
293M86.3Confident89.9Confident125 Ų12561.8 Ų61.862%0.61631%0.312SS*.EExtended strand (participates in β ladder)trans-89126.6173.1-62-69.4-83.900107.7G296 K297 L298M293-G296 VanDerWaalsContact CE-O 3.27Å; M293-G296 WeakPolarHBondContact CE-O 3.04Å; M293-K297 WeakPolarHBondContact CA-O 3.4Å; M293-L298 HydrophobicContact SD-CB 3.79Å; M293-L298 HydrophobicContact SD-CD1 3.94Å; M293-L298 HydrophobicContact SD-CG 4.42Å
294E82Confident89.6Confident103 Ų10362.3 Ų62.348%0.48132%0.317SS..EExtended strand (participates in β ladder)trans-127.7123.6171-162.1167.8-154.300105.8H292 G296 K297 V299H292-E294 IonicContact NE2-OE2 3.88Å; E294-G296 VanDerWaalsContact C-N 3.25Å; E294-G296 PolarHBondContact O-N 3.12Å; E294-G296 VanDerWaalsContact O-N 3.15Å; E294-K297 PolarHBondContact N-O 2.98Å; E294-K297 PolarHBondContact O-N 2.73Å; E294-K297 VanDerWaalsContact O-O 3.13Å; E294-V299 HydrophobicContact CB-CG2 3.52Å
295D80.9Confident89.3Confident159 Ų15963 Ų6385%0.8532%0.321SS*.THydrogen-bonded Turntrans50.940.3-177.1-52.4-36.2000114.5K297D295-K297 PolarHBondContact O-N 3.28Å
296G81.2Confident89Confident64 Ų6467.7 Ų67.766%0.6635%0.354SS*.THydrogen-bonded Turntrans74.3-1.9-179.200000114.9M293 E294M293-G296 VanDerWaalsContact CE-O 3.27Å; M293-G296 WeakPolarHBondContact CE-O 3.04Å; E294-G296 VanDerWaalsContact C-N 3.25Å; E294-G296 PolarHBondContact O-N 3.12Å; E294-G296 VanDerWaalsContact O-N 3.15Å
297K83.4Confident88.7Confident164 Ų16472 Ų7271%0.71337%0.371SS*.EExtended strand (participates in β ladder)trans-102.3137.8176.7-67179.1-177.5173.60110.8M293 E294 D295 V299M293-K297 WeakPolarHBondContact CA-O 3.4Å; E294-K297 PolarHBondContact N-O 2.98Å; E294-K297 PolarHBondContact O-N 2.73Å; E294-K297 VanDerWaalsContact O-O 3.13Å; D295-K297 PolarHBondContact O-N 3.28Å; K297-V299 PolarHBondContact O-N 3.03Å
298L85.6Confident88.2Confident85 Ų8572.1 Ų72.145%0.44537%0.372SS..EExtended strand (participates in β ladder)trans-77.6104.9177.1-175.955.7000109.9L291 M293 K300L291-L298 HydrophobicContact CB-CD1 4.17Å; M293-L298 HydrophobicContact SD-CB 3.79Å; M293-L298 HydrophobicContact SD-CD1 3.94Å; M293-L298 HydrophobicContact SD-CG 4.42Å; L298-K300 HydrophobicContact CD2-CD 4.39Å; L298-K300 HydrophobicContact CD2-CG 4.47Å; L298-K300 HydrophobicContact CG-CD 4.41Å; L298-K300 HydrophobicContact CG-CG 3.96Å; L298-K300 PolarHBondContact O-N 2.82Å
299V85.6Confident87.9Confident26 Ų2679 Ų7916%0.15841%0.412CS..EExtended strand (participates in β ladder)trans-77.1111.4179-179.50000109.4H292 E294 K297 N301H292-V299 PolarHBondContact O-N 3.11Å; E294-V299 HydrophobicContact CB-CG2 3.52Å; K297-V299 PolarHBondContact O-N 3.03Å; V299-N301 WeakPolarHBondContact CG1-OD1 3.24Å
300K84.8Confident87.6Confident109 Ų10974.5 Ų74.547%0.47440%0.403SS..  trans-115.911.2-179.1-53.3-169.7179173.30114.3L291 L298 N302 K312 S313L291-K300 HydrophobicContact CD2-CB 3.98Å; L291-K300 HydrophobicContact CD2-CG 3.92Å; L298-K300 HydrophobicContact CD2-CD 4.39Å; L298-K300 HydrophobicContact CD2-CG 4.47Å; L298-K300 HydrophobicContact CG-CD 4.41Å; L298-K300 HydrophobicContact CG-CG 3.96Å; L298-K300 PolarHBondContact O-N 2.82Å; K300-N302 VanDerWaalsContact C-N 3.25Å; K300-N302 PolarHBondContact O-N 3.24Å; K300-K312 CarbonylContact O-C 3.52Å; K300-K312 VanDerWaalsContact O-C 3.25Å; K300-S313 WeakPolarHBondContact O-CA 3.46Å; K300-S313 VanDerWaalsContact O-CB 3.24Å; K300-S313 WeakPolarHBondContact O-CB 3.37Å; K300-S313 PolarHBondContact O-N 2.87Å
301N87.9Confident87.5Confident84 Ų8478 Ų7845%0.44943%0.432SS..  trans-83.518.6-171.865.7-11.6000114.6V299 A303 S304 A311 K312V299-N301 WeakPolarHBondContact CG1-OD1 3.24Å; N301-A303 PolarHBondContact O-N 3.32Å; N301-S304 WeakPolarHBondContact O-CB 3.44Å; N301-S304 PolarHBondContact O-N 2.88Å; N301-S304 PolarHBondContact O-OG 3.49Å; N301-S304 VanDerWaalsContact O-OG 3.11Å; N301-A311 HydrophobicContact CB-CB 4.17Å; N301-K312 CarbonylContact C-O 3.6Å; N301-K312 VanDerWaalsContact C-O 3.31Å; N301-K312 WeakPolarHBondContact CA-O 3.16Å
302N91.5Very high87.6Confident18 Ų1876 Ų7610%0.09642%0.421CS..THydrogen-bonded Turntrans-66.4-12.1-171.364.710.4000115.6R286 R289 K300 S313 I314 F330R286-N302 PolarHBondContact NH1-O 3.2Å; R289-N302 VanDerWaalsContact O-CB 3.23Å; R289-N302 WeakPolarHBondContact O-CB 3.45Å; R289-N302 PolarHBondContact O-ND2 2.82Å; K300-N302 VanDerWaalsContact C-N 3.25Å; K300-N302 PolarHBondContact O-N 3.24Å; N302-S313 VanDerWaalsContact OD1-CA 3.31Å; N302-S313 WeakPolarHBondContact OD1-CA 3.24Å; N302-I314 PolarHBondContact OD1-N 3.24Å; N302-F330 HydrophobicContact CB-CE1 4.01Å
303A92.8Very high88Confident0 Ų074.8 Ų74.80%042%0.419CS..THydrogen-bonded Turntrans-111.49.5170.900000114N301 K312 S313 I314 I368 T370N301-A303 PolarHBondContact O-N 3.32Å; A303-K312 CarbonylContact C-O 3.49Å; A303-K312 HydrophobicContact CB-CG 4.32Å; A303-K312 PolarHBondContact N-O 3.31Å; A303-K312 VanDerWaalsContact O-CE 3.3Å; A303-K312 WeakPolarHBondContact O-CE 3.43Å; A303-S313 VanDerWaalsContact CB-C 3.44Å; A303-I314 VanDerWaalsContact CB-CA 3.47Å; A303-I314 HydrophobicContact CB-CB 3.96Å; A303-I314 HydrophobicContact CB-CD1 3.95Å; A303-I314 VanDerWaalsContact CB-N 3.31Å; A303-I368 HydrophobicContact CB-CB 4.49Å; A303-I368 HydrophobicContact CB-CD1 4.22Å; A303-I368 HydrophobicContact CB-CG2 4.27Å; A303-I368 WeakPolarHBondContact O-CD1 3.42Å; A303-T370 HydrophobicContact CB-CG2 4.21Å
304S92.2Very high88.5Confident23 Ų2369 Ų6916%0.16139%0.39CS..  trans-78.6146.5172.5-43.40000109.3R286 N301 A311 K312R286-S304 PolarHBondContact NH1-O 3.21Å; R286-S304 PolarHBondContact NH2-O 3Å; N301-S304 WeakPolarHBondContact O-CB 3.44Å; N301-S304 PolarHBondContact O-N 2.88Å; N301-S304 PolarHBondContact O-OG 3.49Å; N301-S304 VanDerWaalsContact O-OG 3.11Å; S304-A311 WeakPolarHBondContact OG-CA 3.47Å; S304-K312 PolarHBondContact N-O 3.27Å; S304-K312 PolarHBondContact OG-N 3.31Å; S304-K312 PolarHBondContact OG-O 3.2Å
305T93Very high89.2Confident14 Ų1465 Ų659%0.08637%0.373CS..  trans-112170.8173.963.80000109.7Y307 D308 L365 K366 I368T305-Y307 PolarHBondContact O-N 2.65Å; T305-Y307 PolarHBondContact OG1-N 2.88Å; T305-D308 WeakPolarHBondContact CB-OD2 3.45Å; T305-D308 PolarHBondContact N-OD2 3.19Å; T305-D308 PolarHBondContact O-N 3.35Å; T305-D308 VanDerWaalsContact OG1-CG 3.26Å; T305-D308 PolarHBondContact OG1-N 3.36Å; T305-D308 PolarHBondContact OG1-OD2 3.06Å; T305-L365 WeakPolarHBondContact CB-O 3.41Å; T305-L365 HydrophobicContact CG2-CB 4.11Å; T305-L365 VanDerWaalsContact CG2-O 3.26Å; T305-L365 WeakPolarHBondContact CG2-O 3.31Å; T305-K366 PolarHBondContact OG1-O 3.01Å; T305-I368 HydrophobicContact CG2-CD1 4.34Å; T305-I368 HydrophobicContact CG2-CG1 4.33Å
306S90.3Very high90Very high99 Ų9957.7 Ų57.769%0.69233%0.334SS*.THydrogen-bonded Turntrans-60.8-20.4173.740.70000113.2
307Y90.6Very high90.7Very high129 Ų12956.7 Ų56.751%0.50631%0.313SS..THydrogen-bonded Turntrans-94.7-15-179.7-59.7-94.6000112.8T305 K366T305-Y307 PolarHBondContact O-N 2.65Å; T305-Y307 PolarHBondContact OG1-N 2.88Å; Y307-K366 HydrophobicContact CD2-CB 4.21Å; Y307-K366 HydrophobicContact CD2-CG 3.97Å; Y307-K366 HydrophobicContact CE2-CG 3.82Å; Y307-K366 HydrophobicContact CG-CG 4.42Å
308D88.9Confident91.2Very high36 Ų3652.4 Ų52.419%0.19332%0.316CS..  trans-81.5126.2179.4-73.9-61.2000110.1T305 T310 K312T305-D308 WeakPolarHBondContact CB-OD2 3.45Å; T305-D308 PolarHBondContact N-OD2 3.19Å; T305-D308 PolarHBondContact O-N 3.35Å; T305-D308 VanDerWaalsContact OG1-CG 3.26Å; T305-D308 PolarHBondContact OG1-N 3.36Å; T305-D308 PolarHBondContact OG1-OD2 3.06Å; D308-T310 VanDerWaalsContact C-N 3.35Å; D308-K312 VanDerWaalsContact CG-NZ 3.28Å; D308-K312 IonicContact OD1-NZ 3.24Å; D308-K312 PolarHBondContact OD1-NZ 3.44Å; D308-K312 WeakPolarHBondContact OD2-CE 3.44Å; D308-K312 IonicContact OD2-NZ 2.94Å; D308-K312 PolarHBondContact OD2-NZ 3.21Å
309V88.3Confident91.7Very high149 Ų14948.7 Ų48.790%0.90330%0.298SS*.SBendtrans-74-29.6172.9-175.40000111.5
310T87.4Confident92.3Very high66 Ų6647.7 Ų47.741%0.40529%0.292SS..SBendtrans-101.8136.8-174.754.70000112.1D308 K312D308-T310 VanDerWaalsContact C-N 3.35Å; T310-K312 PolarHBondContact O-N 2.9Å
311A89.2Confident92.8Very high79 Ų7943 Ų4365%0.65327%0.272SS*.  trans-72.6119.4172.500000110N301 S304N301-A311 HydrophobicContact CB-CB 4.17Å; S304-A311 WeakPolarHBondContact OG-CA 3.47Å
312K92.4Very high93.2Very high8 Ų845.9 Ų45.94%0.03528%0.283CS..  trans-133.4148.4177.666.9-169.6173.8-168.40113K300 N301 A303 S304 D308 T310 F367 I368 T370 T381K300-K312 CarbonylContact O-C 3.52Å; K300-K312 VanDerWaalsContact O-C 3.25Å; N301-K312 CarbonylContact C-O 3.6Å; N301-K312 VanDerWaalsContact C-O 3.31Å; N301-K312 WeakPolarHBondContact CA-O 3.16Å; A303-K312 CarbonylContact C-O 3.49Å; A303-K312 HydrophobicContact CB-CG 4.32Å; A303-K312 PolarHBondContact N-O 3.31Å; A303-K312 VanDerWaalsContact O-CE 3.3Å; A303-K312 WeakPolarHBondContact O-CE 3.43Å; S304-K312 PolarHBondContact N-O 3.27Å; S304-K312 PolarHBondContact OG-N 3.31Å; S304-K312 PolarHBondContact OG-O 3.2Å; D308-K312 VanDerWaalsContact CG-NZ 3.28Å; D308-K312 IonicContact OD1-NZ 3.24Å; D308-K312 PolarHBondContact OD1-NZ 3.44Å; D308-K312 WeakPolarHBondContact OD2-CE 3.44Å; D308-K312 IonicContact OD2-NZ 2.94Å; D308-K312 PolarHBondContact OD2-NZ 3.21Å; T310-K312 PolarHBondContact O-N 2.9Å; K312-F367 VanDerWaalsContact NZ-CE2 3.34Å; K312-I368 WeakPolarHBondContact CE-O 3.48Å; K312-I368 PolarHBondContact NZ-O 3.24Å; K312-T370 HydrophobicContact CD-CG2 4.04Å; K312-T370 HydrophobicContact CG-CG2 4.25Å; K312-T381 HydrophobicContact CB-CG2 4.17Å
313S94.5Very high93.5Very high31 Ų3145.3 Ų45.322%0.21728%0.279CS..  trans-94.7155.3176.483.90000111.2K300 N302 A303 T315 T370K300-S313 WeakPolarHBondContact O-CA 3.46Å; K300-S313 VanDerWaalsContact O-CB 3.24Å; K300-S313 WeakPolarHBondContact O-CB 3.37Å; K300-S313 PolarHBondContact O-N 2.87Å; N302-S313 VanDerWaalsContact OD1-CA 3.31Å; N302-S313 WeakPolarHBondContact OD1-CA 3.24Å; A303-S313 VanDerWaalsContact CB-C 3.44Å; S313-T315 PolarHBondContact O-N 3.4Å; S313-T315 VanDerWaalsContact O-N 3.14Å; S313-T315 PolarHBondContact OG-N 2.9Å; S313-T370 WeakPolarHBondContact O-CG2 3.23Å
314I96.5Very high93.6Very high3 Ų346.6 Ų46.62%0.01529%0.293CS..SBendtrans-64.7-19.1179.6-165.157.6000113.5I78 N302 A303 P316 F320 V326 F330 M332 I368I78-I314 HydrophobicContact CD1-CD1 3.82Å; I78-I314 HydrophobicContact CD1-CG1 3.96Å; I78-I314 HydrophobicContact CG1-CD1 4.22Å; I78-I314 HydrophobicContact CG1-CG1 4.02Å; I78-I314 HydrophobicContact CG2-CG1 4.14Å; N302-I314 PolarHBondContact OD1-N 3.24Å; A303-I314 VanDerWaalsContact CB-CA 3.47Å; A303-I314 HydrophobicContact CB-CB 3.96Å; A303-I314 HydrophobicContact CB-CD1 3.95Å; A303-I314 VanDerWaalsContact CB-N 3.31Å; I314-P316 VanDerWaalsContact O-CD 3.31Å; I314-P316 WeakPolarHBondContact O-CD 3.42Å; I314-F320 WeakPolarHBondContact O-CE2 3.09Å; I314-V326 HydrophobicContact CG2-CB 3.99Å; I314-V326 HydrophobicContact CG2-CG1 4.02Å; I314-F330 HydrophobicContact CB-CD1 4.43Å; I314-F330 HydrophobicContact CB-CE1 3.79Å; I314-F330 HydrophobicContact CB-CE2 4.32Å; I314-F330 HydrophobicContact CB-CZ 3.72Å; I314-F330 HydrophobicContact CD1-CE2 4.25Å; I314-F330 HydrophobicContact CD1-CZ 4.26Å; I314-F330 HydrophobicContact CG1-CD2 4.34Å; I314-F330 HydrophobicContact CG1-CE1 4.21Å; I314-F330 HydrophobicContact CG1-CE2 3.85Å; I314-F330 HydrophobicContact CG1-CZ 3.77Å; I314-F330 HydrophobicContact CG2-CD1 3.78Å; I314-F330 HydrophobicContact CG2-CE1 3.54Å; I314-F330 HydrophobicContact CG2-CG 4.39Å; I314-F330 HydrophobicContact CG2-CZ 3.99Å; I314-M332 HydrophobicContact CD1-CE 3.9Å; I314-I368 HydrophobicContact CD1-CG2 3.73Å
315T96.6Very high93.7Very high20 Ų2051 Ų5112%0.12331%0.311CS..SBendtrans-70.2116.5175-630000108.8S313 E325 V326S313-T315 PolarHBondContact O-N 3.4Å; S313-T315 VanDerWaalsContact O-N 3.14Å; S313-T315 PolarHBondContact OG-N 2.9Å; T315-E325 HydrophobicContact CG2-CB 3.99Å; T315-E325 HydrophobicContact CG2-CG 4.01Å; T315-V326 PolarHBondContact OG1-N 2.86Å
316P96.7Very high93.9Very high5 Ų550.3 Ų50.33%0.03231%0.307CS..PPolyproline II helixtrans-67.9164.3178.627.9-33.7000111.4I314 G318 G319 F320 T370 T371 K373I314-P316 VanDerWaalsContact O-CD 3.31Å; I314-P316 WeakPolarHBondContact O-CD 3.42Å; P316-G318 PolarHBondContact O-N 3.07Å; P316-G319 WeakPolarHBondContact O-CA 3.26Å; P316-G319 PolarHBondContact O-N 3.41Å; P316-F320 VanDerWaalsContact CD-CE2 3.44Å; P316-F320 HydrophobicContact CG-CD1 3.96Å; P316-F320 HydrophobicContact CG-CD2 4.25Å; P316-F320 HydrophobicContact CG-CE1 4.07Å; P316-F320 HydrophobicContact CG-CE2 4.34Å; P316-F320 HydrophobicContact CG-CG 4.07Å; P316-F320 HydrophobicContact CG-CZ 4.25Å; P316-T370 CarbonylContact C-O 3.58Å; P316-T370 WeakPolarHBondContact CA-O 3.27Å; P316-T370 WeakPolarHBondContact CB-O 3.31Å; P316-T371 WeakPolarHBondContact CB-O 3.33Å; P316-K373 HydrophobicContact CB-CG 4.18Å; P316-K373 HydrophobicContact CG-CG 4.12Å
317L96Very high94.1Very high42 Ų4248.7 Ų48.722%0.2229%0.29CS..THydrogen-bonded Turntrans-53.3124.7174.4-64.8-177.6000111.5G319 T370 S372 F379 A382L317-G319 VanDerWaalsContact C-N 3.3Å; L317-T370 PolarHBondContact N-O 2.85Å; L317-S372 WeakPolarHBondContact O-CA 3.11Å; L317-S372 WeakPolarHBondContact O-CB 3.35Å; L317-F379 HydrophobicContact CD1-CB 4.13Å; L317-F379 VanDerWaalsContact CD1-O 3.25Å; L317-F379 WeakPolarHBondContact CD1-O 3.44Å; L317-A382 HydrophobicContact CD2-CB 4.17Å
318G94.3Very high94.4Very high75 Ų7543.6 Ų43.677%0.77327%0.272SS*.THydrogen-bonded Turntrans796.6-175.200000115.1P316P316-G318 PolarHBondContact O-N 3.07Å
319G96.6Very high94.8Very high7 Ų743.4 Ų43.47%0.07227%0.271CS..  trans78.4167.8179.300000114.2P316 L317P316-G319 WeakPolarHBondContact O-CA 3.26Å; P316-G319 PolarHBondContact O-N 3.41Å; L317-G319 VanDerWaalsContact C-N 3.3Å
320F97.4Very high95.3Very high4 Ų436.3 Ų36.32%0.01823%0.228CC..BIsolated β-bridgetrans-68.3129.8174.7-84.1-71.7000110.3A51 I78 I314 P316 H322 Y323 G324 V326A51-F320 HydrophobicContact CB-CD2 4.25Å; I78-F320 HydrophobicContact CB-CE2 4.43Å; I78-F320 HydrophobicContact CB-CZ 4.19Å; I78-F320 HydrophobicContact CG1-CE2 4.37Å; I78-F320 HydrophobicContact CG1-CZ 3.77Å; I78-F320 HydrophobicContact CG2-CE2 4.49Å; I314-F320 WeakPolarHBondContact O-CE2 3.09Å; P316-F320 VanDerWaalsContact CD-CE2 3.44Å; P316-F320 HydrophobicContact CG-CD1 3.96Å; P316-F320 HydrophobicContact CG-CD2 4.25Å; P316-F320 HydrophobicContact CG-CE1 4.07Å; P316-F320 HydrophobicContact CG-CE2 4.34Å; P316-F320 HydrophobicContact CG-CG 4.07Å; P316-F320 HydrophobicContact CG-CZ 4.25Å; F320-H322 PolarHBondContact O-N 2.85Å; F320-Y323 WeakPolarHBondContact O-CA 3.33Å; F320-Y323 PolarHBondContact O-N 2.89Å; F320-G324 PolarHBondContact N-O 3.19Å; F320-G324 PolarHBondContact O-N 2.86Å; F320-V326 HydrophobicContact CD2-CG2 3.78Å; F320-V326 HydrophobicContact CE2-CG2 3.94Å
321P96.5Very high95.8Very high10 Ų1033.1 Ų33.17%0.06521%0.208CC..THydrogen-bonded Turntrans-62.3128.3-171.9-19.824.9000112.7Y323 K341 K373 F374P321-Y323 PolarHBondContact O-N 2.76Å; P321-K341 WeakPolarHBondContact O-CD 3.37Å; P321-K341 WeakPolarHBondContact O-CE 3.35Å; P321-K341 PolarHBondContact O-NZ 3.26Å; P321-K373 HydrophobicContact CG-CB 3.74Å; P321-K373 VanDerWaalsContact CG-O 3.3Å; P321-K373 WeakPolarHBondContact CG-O 3.15Å; P321-F374 VanDerWaalsContact CA-CZ 3.45Å; P321-F374 HydrophobicContact CB-CD1 4.22Å; P321-F374 HydrophobicContact CB-CD2 3.95Å; P321-F374 HydrophobicContact CB-CE1 3.84Å; P321-F374 HydrophobicContact CB-CE2 3.57Å; P321-F374 HydrophobicContact CB-CG 4.28Å; P321-F374 HydrophobicContact CB-CZ 3.51Å; P321-F374 HydrophobicContact CG-CD2 3.77Å; P321-F374 HydrophobicContact CG-CE2 3.85Å; P321-F374 HydrophobicContact CG-CG 4.15Å; P321-F374 HydrophobicContact CG-CZ 4.27Å
322H95.6Very high96.2Very high146 Ų14629.4 Ų29.468%0.67618%0.177SC*.THydrogen-bonded Turntrans62.88.1-173-47.1-70000115.7F320 K342F320-H322 PolarHBondContact O-N 2.85Å; H322-K342 WeakPolarHBondContact O-CD 3.5Å; H322-K342 WeakPolarHBondContact O-CE 3.36Å; H322-K342 PolarHBondContact O-NZ 3.19Å
323Y97Very high96.5Very high5 Ų529 Ų292%0.0218%0.176CC..THydrogen-bonded Turntrans-107.4-60.3173.3-167.5-95000111.2A51 E80 P172 F173 F320 P321 V326 K342A51-Y323 VanDerWaalsContact CA-CD2 3.43Å; A51-Y323 VanDerWaalsContact CA-CE2 3.48Å; A51-Y323 HydrophobicContact CB-CD1 3.82Å; A51-Y323 HydrophobicContact CB-CD2 4.19Å; A51-Y323 HydrophobicContact CB-CE1 3.71Å; A51-Y323 HydrophobicContact CB-CE2 4.04Å; A51-Y323 HydrophobicContact CB-CG 4.05Å; A51-Y323 WeakPolarHBondContact O-CB 3.49Å; E80-Y323 WeakPolarHBondContact CB-OH 3.48Å; E80-Y323 WeakPolarHBondContact OE2-CE1 3.39Å; E80-Y323 VanDerWaalsContact OE2-CZ 3.23Å; E80-Y323 PolarHBondContact OE2-OH 2.85Å; P172-Y323 HydrophobicContact CG-CD1 4.39Å; P172-Y323 HydrophobicContact CG-CE1 4.11Å; F173-Y323 AromaticContact CE1-CD2 3.95Å; F173-Y323 HydrophobicContact CE1-CD2 3.95Å; F173-Y323 AromaticContact CE1-CE2 3.51Å; F173-Y323 HydrophobicContact CE1-CE2 3.51Å; F173-Y323 AromaticContact CE1-CZ 3.86Å; F173-Y323 HydrophobicContact CZ-CD2 4.21Å; F173-Y323 AromaticContact CZ-CE2 3.39Å; F173-Y323 HydrophobicContact CZ-CE2 3.39Å; F173-Y323 AromaticContact CZ-CZ 3.79Å; F320-Y323 WeakPolarHBondContact O-CA 3.33Å; F320-Y323 PolarHBondContact O-N 2.89Å; P321-Y323 PolarHBondContact O-N 2.76Å; Y323-V326 HydrophobicContact CD1-CG2 4.34Å; Y323-V326 HydrophobicContact CE1-CG2 4.06Å; Y323-K342 HydrophobicContact CD2-CB 4.46Å; Y323-K342 HydrophobicContact CD2-CG 3.61Å; Y323-K342 HydrophobicContact CE2-CG 4.15Å
324G95.6Very high96.7Very high28 Ų2829.9 Ų29.929%0.28918%0.176SC..BIsolated β-bridgetrans112.7-153.6-168.100000111F320F320-G324 PolarHBondContact N-O 3.19Å; F320-G324 PolarHBondContact O-N 2.86Å
325E95.3Very high96.8Very high114 Ų11430.8 Ų30.853%0.53319%0.186SC..  trans-80.9154.9177.1-50.7-176.9155.500111.4T315T315-E325 HydrophobicContact CG2-CB 3.99Å; T315-E325 HydrophobicContact CG2-CG 4.01Å
326V96.5Very high96.8Very high1 Ų133.5 Ų33.51%0.00621%0.205CC..  trans-109105.8171.2176.90000107.2A51 E80 I314 T315 F320 Y323 F330A51-V326 HydrophobicContact CB-CG2 3.57Å; E80-V326 HydrophobicContact CB-CG1 4Å; E80-V326 HydrophobicContact CG-CG1 3.83Å; I314-V326 HydrophobicContact CG2-CB 3.99Å; I314-V326 HydrophobicContact CG2-CG1 4.02Å; T315-V326 PolarHBondContact OG1-N 2.86Å; F320-V326 HydrophobicContact CD2-CG2 3.78Å; F320-V326 HydrophobicContact CE2-CG2 3.94Å; Y323-V326 HydrophobicContact CD1-CG2 4.34Å; Y323-V326 HydrophobicContact CE1-CG2 4.06Å; V326-F330 HydrophobicContact CG1-CB 4.03Å; V326-F330 HydrophobicContact CG1-CD1 4.31Å; V326-F330 HydrophobicContact CG1-CG 4.44Å
327N94.6Very high96.9Very high64 Ų6433.6 Ų33.634%0.34221%0.205SC..  trans-109.4-18.6-172.4-66.7-14.1000112.4E80 G290 L291E80-N327 PolarHBondContact OE1-N 3.19Å; G290-N327 CarbonylContact C-O 3.52Å; G290-N327 VanDerWaalsContact CA-O 3.25Å; G290-N327 WeakPolarHBondContact CA-O 3.2Å; L291-N327 HydrophobicContact CD1-CB 4.41Å; L291-N327 WeakPolarHBondContact CD1-OD1 3.3Å; L291-N327 PolarHBondContact N-O 3.17Å
328N96.1Very high97Very high23 Ų2332 Ų3212%0.12320%0.198CC..SBendtrans-93172.7175.6-56.4-86.3000111.5E80 P82 L170 G290E80-N328 HydrophobicContact CG-CB 3.88Å; E80-N328 PolarHBondContact OE1-N 3.2Å; E80-N328 PolarHBondContact OE1-ND2 2.9Å; P82-N328 HydrophobicContact CB-CB 4.34Å; L170-N328 PolarHBondContact O-ND2 2.84Å; G290-N328 WeakPolarHBondContact CA-O 3.46Å
329D97.6Very high97.1Very high31 Ų3129 Ų2917%0.16617%0.166CC..  trans-47.9144.3168.2-68.90.2000110.4T81 V207 H208 G288 R289 G290T81-D329 CarbonylContact C-O 3.53Å; T81-D329 WeakPolarHBondContact CA-O 3.38Å; T81-D329 PolarHBondContact N-O 3.25Å; T81-D329 VanDerWaalsContact OG1-C 3.26Å; T81-D329 PolarHBondContact OG1-O 2.89Å; V207-D329 HydrophobicContact CG1-CB 4.03Å; H208-D329 IonicContact ND1-OD2 3.42Å; G288-D329 CarbonylContact O-C 3.55Å; G288-D329 VanDerWaalsContact O-CA 3.27Å; G288-D329 WeakPolarHBondContact O-CA 3.23Å; R289-D329 WeakPolarHBondContact CA-OD1 3.17Å; G290-D329 PolarHBondContact N-OD1 3.38Å
330F98.1Very high97.1Very high0 Ų030.7 Ų30.70%018%0.175CC..EExtended strand (participates in β ladder)trans-137.8156.1179.169-90.1000112.1I78 V79 T81 I287 G288 N302 I314 V326 M332I78-F330 HydrophobicContact CG2-CB 4.07Å; I78-F330 HydrophobicContact CG2-CD2 3.94Å; I78-F330 HydrophobicContact CG2-CG 4.14Å; V79-F330 CarbonylContact O-C 3.49Å; V79-F330 VanDerWaalsContact O-CA 3.27Å; V79-F330 WeakPolarHBondContact O-CA 3.35Å; V79-F330 WeakPolarHBondContact O-CB 3.46Å; T81-F330 WeakPolarHBondContact OG1-CA 3.32Å; I287-F330 CarbonylContact C-O 3.58Å; I287-F330 WeakPolarHBondContact CA-O 2.91Å; G288-F330 PolarHBondContact N-O 2.75Å; G288-F330 PolarHBondContact O-N 2.89Å; N302-F330 HydrophobicContact CB-CE1 4.01Å; I314-F330 HydrophobicContact CB-CD1 4.43Å; I314-F330 HydrophobicContact CB-CE1 3.79Å; I314-F330 HydrophobicContact CB-CE2 4.32Å; I314-F330 HydrophobicContact CB-CZ 3.72Å; I314-F330 HydrophobicContact CD1-CE2 4.25Å; I314-F330 HydrophobicContact CD1-CZ 4.26Å; I314-F330 HydrophobicContact CG1-CD2 4.34Å; I314-F330 HydrophobicContact CG1-CE1 4.21Å; I314-F330 HydrophobicContact CG1-CE2 3.85Å; I314-F330 HydrophobicContact CG1-CZ 3.77Å; I314-F330 HydrophobicContact CG2-CD1 3.78Å; I314-F330 HydrophobicContact CG2-CE1 3.54Å; I314-F330 HydrophobicContact CG2-CG 4.39Å; I314-F330 HydrophobicContact CG2-CZ 3.99Å; V326-F330 HydrophobicContact CG1-CB 4.03Å; V326-F330 HydrophobicContact CG1-CD1 4.31Å; V326-F330 HydrophobicContact CG1-CG 4.44Å; F330-M332 HydrophobicContact CE2-CB 4.37Å; F330-M332 HydrophobicContact CE2-CE 4.46Å
331V98.4Very high97Very high0 Ų034.2 Ų34.20%019%0.191CC..EExtended strand (participates in β ladder)trans-112.5124.8171.6-174.90000108.8V79 T81 V207 I284 L333 L347V79-V331 PolarHBondContact N-O 2.83Å; V79-V331 PolarHBondContact O-N 2.87Å; T81-V331 HydrophobicContact CG2-CG2 3.98Å; V207-V331 HydrophobicContact CG1-CG2 4.3Å; V207-V331 HydrophobicContact CG2-CG2 3.61Å; I284-V331 HydrophobicContact CB-CG1 4.48Å; I284-V331 HydrophobicContact CD1-CG1 3.96Å; I284-V331 HydrophobicContact CG1-CG1 4.03Å; I284-V331 HydrophobicContact CG2-CG1 3.83Å; V331-L333 HydrophobicContact CG1-CD2 3.57Å; V331-L333 HydrophobicContact CG1-CG 4Å; V331-L347 HydrophobicContact CB-CD1 4.41Å; V331-L347 HydrophobicContact CG2-CD1 4.23Å
332M98.6Very high97.1Very high0 Ų038 Ų380%021%0.206CC..EExtended strand (participates in β ladder)trans-93115.9172.5-177.7-173.5-68.900109.3T56 V76 I78 Y285 R286 I314 F330 L365 I368T56-M332 HydrophobicContact CG2-CE 4.13Å; T56-M332 HydrophobicContact CG2-SD 3.66Å; V76-M332 HydrophobicContact CB-CG 3.64Å; V76-M332 HydrophobicContact CB-SD 4.19Å; V76-M332 HydrophobicContact CG1-CG 3.95Å; V76-M332 HydrophobicContact CG1-SD 4.07Å; V76-M332 HydrophobicContact CG2-CE 4.43Å; V76-M332 HydrophobicContact CG2-CG 3.77Å; V76-M332 HydrophobicContact CG2-SD 3.92Å; I78-M332 HydrophobicContact CD1-CB 3.97Å; I78-M332 HydrophobicContact CD1-CE 3.87Å; I78-M332 HydrophobicContact CD1-CG 3.77Å; Y285-M332 PolarHBondContact N-O 3Å; R286-M332 HydrophobicContact CB-CB 4.18Å; R286-M332 HydrophobicContact CB-SD 4.39Å; R286-M332 PolarHBondContact O-N 2.95Å; I314-M332 HydrophobicContact CD1-CE 3.9Å; F330-M332 HydrophobicContact CE2-CB 4.37Å; F330-M332 HydrophobicContact CE2-CE 4.46Å; M332-L365 HydrophobicContact CE-CD1 4.31Å; M332-L365 HydrophobicContact SD-CD1 3.72Å; M332-I368 HydrophobicContact CE-CD1 3.74Å; M332-I368 HydrophobicContact CE-CG1 4.04Å; M332-I368 HydrophobicContact CE-CG2 4.07Å
333L98.6Very high97.2Very high0 Ų032.3 Ų32.30%018%0.179CC..EExtended strand (participates in β ladder)trans-109.9136.4-176.8-61.6177.3000111.3V76 T77 V79 I217 V219 I284 V331 G335 I337 L347V76-L333 CarbonylContact C-O 3.48Å; V76-L333 VanDerWaalsContact CA-O 3.27Å; V76-L333 WeakPolarHBondContact CA-O 3.34Å; T77-L333 PolarHBondContact N-O 2.89Å; T77-L333 PolarHBondContact O-N 2.97Å; V79-L333 HydrophobicContact CG2-CD1 3.99Å; I217-L333 HydrophobicContact CD1-CD1 4.33Å; I217-L333 HydrophobicContact CD1-CD2 3.63Å; I217-L333 HydrophobicContact CG1-CD2 4.03Å; V219-L333 HydrophobicContact CG2-CD1 3.73Å; I284-L333 HydrophobicContact CG1-CD2 3.77Å; V331-L333 HydrophobicContact CG1-CD2 3.57Å; V331-L333 HydrophobicContact CG1-CG 4Å; L333-G335 PolarHBondContact O-N 3.02Å; L333-I337 HydrophobicContact CB-CG2 4.48Å; L333-I337 HydrophobicContact CD1-CG2 4.15Å; L333-L347 HydrophobicContact CD1-CD2 3.88Å
334K98.3Very high97.2Very high50 Ų5032.1 Ų32.122%0.21718%0.178CC..EExtended strand (participates in β ladder)trans-57130.2174-173.2-177.1179.5140.20111.6E74 K283 Y285E74-K334 WeakPolarHBondContact OE1-CE 3.2Å; E74-K334 IonicContact OE1-NZ 2.65Å; E74-K334 PolarHBondContact OE1-NZ 2.86Å; K283-K334 HydrophobicContact CB-CB 4.24Å; K283-K334 PolarHBondContact O-N 2.72Å; Y285-K334 HydrophobicContact CD1-CB 4.18Å; Y285-K334 HydrophobicContact CE1-CB 3.63Å; Y285-K334 HydrophobicContact CE1-CD 4.1Å; Y285-K334 HydrophobicContact CE1-CG 4.02Å; Y285-K334 WeakPolarHBondContact OH-CD 3.25Å; Y285-K334 WeakPolarHBondContact OH-CG 3.43Å; Y285-K334 PolarHBondContact OH-NZ 2.79Å
335G98.1Very high97.3Very high22 Ų2230.8 Ų30.823%0.22717%0.165CC..SBendtrans71.4-161.8172.900000114.1A75 T77 L333A75-G335 WeakPolarHBondContact O-CA 3.39Å; A75-G335 PolarHBondContact O-N 3.01Å; T77-G335 PolarHBondContact N-O 2.79Å; T77-G335 PolarHBondContact OG1-O 2.51Å; L333-G335 PolarHBondContact O-N 3.02Å
336C97.9Very high97.5Very high77 Ų7725.4 Ų25.452%0.5214%0.139SC..  trans-80.6156.3176.8690000111.5M53 K282M53-C336 HydrophobicContact CE-CB 3.95Å; M53-C336 HydrophobicContact SD-CB 4.31Å; K282-C336 PolarHBondContact NZ-O 2.78Å
337I98.3Very high97.6Very high6 Ų625.3 Ų25.33%0.03114%0.139CC..  trans-129.4154.5167.774.2-172.9000111.3K50 T77 V79 V219 L333 I345K50-I337 HydrophobicContact CB-CD1 4.41Å; K50-I337 HydrophobicContact CD-CD1 4.03Å; K50-I337 HydrophobicContact CD-CG1 3.76Å; K50-I337 HydrophobicContact CG-CD1 4.16Å; K50-I337 HydrophobicContact CG-CG1 4.41Å; K50-I337 PolarHBondContact NZ-O 3.39Å; T77-I337 HydrophobicContact CG2-CD1 3.64Å; T77-I337 HydrophobicContact CG2-CG1 3.85Å; V79-I337 HydrophobicContact CG2-CD1 3.52Å; V219-I337 HydrophobicContact CG1-CB 3.97Å; V219-I337 HydrophobicContact CG1-CD1 4.38Å; V219-I337 HydrophobicContact CG1-CG2 4.19Å; V219-I337 HydrophobicContact CG2-CG2 4.25Å; L333-I337 HydrophobicContact CB-CG2 4.48Å; L333-I337 HydrophobicContact CD1-CG2 4.15Å; I337-I345 HydrophobicContact CD1-CD1 4.29Å; I337-I345 HydrophobicContact CD1-CG1 4.02Å; I337-I345 HydrophobicContact CD1-CG2 4.31Å
338A96.9Very high97.8Very high9 Ų922.7 Ų22.77%0.07412%0.124CC..SBendtrans-57.8144.4176.600000113.1A221 T223 E279 I345A221-A338 HydrophobicContact CB-CB 3.98Å; T223-A338 HydrophobicContact CG2-CB 4.05Å; E279-A338 WeakPolarHBondContact OE1-CA 3.49Å; E279-A338 VanDerWaalsContact OE1-CB 3.28Å; E279-A338 WeakPolarHBondContact OE1-CB 3.28Å; E279-A338 PolarHBondContact OE1-N 3.36Å; A338-I345 VanDerWaalsContact O-CD1 3.29Å; A338-I345 WeakPolarHBondContact O-CD1 3.45Å
339G96.8Very high97.9Very high11 Ų1124.3 Ų24.311%0.11313%0.13CC..SBendtrans103.1164176.300000114K50 V222K50-G339 PolarHBondContact NZ-O 3.03Å; K50-G339 VanDerWaalsContact NZ-O 3.13Å; V222-G339 VanDerWaalsContact O-CA 3.3Å; V222-G339 WeakPolarHBondContact O-CA 3.42Å
340T97.2Very high97.8Very high43 Ų4323.8 Ų23.826%0.26413%0.129SC..  trans-79.7169.3174.553.50000110.9K224 R343K224-T340 HydrophobicContact CB-CG2 3.83Å; K224-T340 HydrophobicContact CD-CG2 3.94Å; K224-T340 HydrophobicContact CG-CG2 3.58Å; T340-R343 WeakPolarHBondContact O-CB 3.18Å; T340-R343 PolarHBondContact O-N 3.41Å; T340-R343 PolarHBondContact OG1-NE 3.19Å; T340-R343 PolarHBondContact OG1-NH2 3.23Å
341K96.2Very high97.8Very high78 Ų7827.1 Ų27.134%0.33915%0.146SC..THydrogen-bonded Turntrans-54.1152.3161.1-54179.9-178.1178.10109.9K50 P321 R343K50-K341 CarbonylContact O-C 3.55Å; K50-K341 WeakPolarHBondContact O-CA 3.42Å; P321-K341 WeakPolarHBondContact O-CD 3.37Å; P321-K341 WeakPolarHBondContact O-CE 3.35Å; P321-K341 PolarHBondContact O-NZ 3.26Å; K341-R343 PolarHBondContact O-N 3.47Å; K341-R343 VanDerWaalsContact O-N 3.12Å
342K97.1Very high97.5Very high90 Ų9031.8 Ų31.839%0.39117%0.171SC..THydrogen-bonded Turntrans63.34.5-174.2-54.5-177.9146.6147.30115.4K50 F173 H322 Y323K50-K342 PolarHBondContact O-N 3.22Å; F173-K342 HydrophobicContact CD1-CD 4.04Å; F173-K342 HydrophobicContact CD1-CG 4.14Å; F173-K342 HydrophobicContact CE1-CB 3.92Å; F173-K342 HydrophobicContact CE1-CD 3.93Å; F173-K342 HydrophobicContact CE1-CG 3.52Å; F173-K342 HydrophobicContact CE2-CB 4.39Å; F173-K342 HydrophobicContact CZ-CB 3.85Å; F173-K342 HydrophobicContact CZ-CG 3.95Å; H322-K342 WeakPolarHBondContact O-CD 3.5Å; H322-K342 WeakPolarHBondContact O-CE 3.36Å; H322-K342 PolarHBondContact O-NZ 3.19Å; Y323-K342 HydrophobicContact CD2-CB 4.46Å; Y323-K342 HydrophobicContact CD2-CG 3.61Å; Y323-K342 HydrophobicContact CE2-CG 4.15Å
343R97.6Very high97.2Very high27 Ų2737.4 Ų37.410%0.10221%0.205CC..  trans-76.2134.2178.6-172.362.152.8157.5-0.9109.7H25 Y49 K50 T340 K341 I345H25-R343 VanDerWaalsContact CE1-CZ 3.49Å; H25-R343 PolarHBondContact CE1-NH1 2.76Å; H25-R343 PolarHBondContact ND1-NH1 2.93Å; H25-R343 PolarHBondContact NE2-NH1 2.94Å; Y49-R343 WeakPolarHBondContact CA-O 3.42Å; K50-R343 PolarHBondContact N-O 2.97Å; T340-R343 WeakPolarHBondContact O-CB 3.18Å; T340-R343 PolarHBondContact O-N 3.41Å; T340-R343 PolarHBondContact OG1-NE 3.19Å; T340-R343 PolarHBondContact OG1-NH2 3.23Å; K341-R343 PolarHBondContact O-N 3.47Å; K341-R343 VanDerWaalsContact O-N 3.12Å; R343-I345 HydrophobicContact CB-CD1 4.24Å; R343-I345 HydrophobicContact CG-CD1 4.08Å; R343-I345 PolarHBondContact O-N 2.75Å
344V98Very high96.9Very high1 Ų139.5 Ų39.51%0.00621%0.214CC..EExtended strand (participates in β ladder)trans-66.2126.3165.963.80000110.3R26 L47 G48 Y49 H179R26-V344 HydrophobicContact CB-CG1 3.74Å; R26-V344 HydrophobicContact CG-CG1 3.8Å; R26-V344 HydrophobicContact CG-CG2 4.03Å; L47-V344 HydrophobicContact CB-CG2 4.45Å; L47-V344 HydrophobicContact CD2-CG2 4.33Å; G48-V344 CarbonylContact O-C 3.6Å; G48-V344 WeakPolarHBondContact O-CA 3.44Å; Y49-V344 HydrophobicContact CD1-CB 4.07Å; Y49-V344 HydrophobicContact CE1-CB 3.7Å; Y49-V344 HydrophobicContact CE1-CG2 4.03Å; H179-V344 HydrophobicContact CB-CG2 4.41Å
345I98.4Very high96.7Very high0 Ų044.8 Ų44.80%024%0.24CC..EExtended strand (participates in β ladder)trans-114133.7179.9-54.8-56.7000107.6L47 G48 K50 V219 A221 I337 A338 R343 L347L47-I345 WeakPolarHBondContact CA-O 3.33Å; G48-I345 PolarHBondContact N-O 3.31Å; G48-I345 PolarHBondContact O-N 3.32Å; K50-I345 HydrophobicContact CB-CD1 4.29Å; K50-I345 HydrophobicContact CB-CG1 3.97Å; V219-I345 HydrophobicContact CG1-CG2 3.33Å; A221-I345 HydrophobicContact CB-CD1 3.56Å; I337-I345 HydrophobicContact CD1-CD1 4.29Å; I337-I345 HydrophobicContact CD1-CG1 4.02Å; I337-I345 HydrophobicContact CD1-CG2 4.31Å; A338-I345 VanDerWaalsContact O-CD1 3.29Å; A338-I345 WeakPolarHBondContact O-CD1 3.45Å; R343-I345 HydrophobicContact CB-CD1 4.24Å; R343-I345 HydrophobicContact CG-CD1 4.08Å; R343-I345 PolarHBondContact O-N 2.75Å; I345-L347 HydrophobicContact CG2-CD2 3.78Å
346T98.6Very high96.4Very high0 Ų047 Ų470%025%0.251CS..EExtended strand (participates in β ladder)trans-99.5114.4171.5-59.50000108.5R26 G27 V29 L47 M181 I220R26-T346 WeakPolarHBondContact CG-OG1 3.44Å; G27-T346 PolarHBondContact O-OG1 3.25Å; V29-T346 HydrophobicContact CG2-CG2 3.57Å; L47-T346 HydrophobicContact CD2-CG2 4.02Å; L47-T346 WeakPolarHBondContact CD2-OG1 3.49Å; M181-T346 HydrophobicContact CE-CG2 3.95Å; M181-T346 HydrophobicContact SD-CG2 4.38Å; I220-T346 PolarHBondContact N-O 2.88Å; I220-T346 PolarHBondContact O-N 3.19Å
347L98.6Very high96.1Very high0 Ų051.9 Ų51.90%026%0.259CS..EExtended strand (participates in β ladder)trans-89.9135.4174-55.6-178.8000107.4A45 F46 T81 F211 I217 V219 V331 L333 I345A45-L347 CarbonylContact C-O 3.46Å; A45-L347 WeakPolarHBondContact CA-O 3.19Å; A45-L347 WeakPolarHBondContact CB-O 3.37Å; F46-L347 HydrophobicContact CB-CB 4.48Å; F46-L347 PolarHBondContact N-O 2.96Å; F46-L347 PolarHBondContact O-N 3.11Å; T81-L347 HydrophobicContact CG2-CD1 4.34Å; F211-L347 HydrophobicContact CE2-CB 3.47Å; F211-L347 VanDerWaalsContact CE2-CB 3.47Å; F211-L347 HydrophobicContact CE2-CD1 4.01Å; F211-L347 HydrophobicContact CE2-CG 4.39Å; F211-L347 HydrophobicContact CZ-CB 3.63Å; I217-L347 HydrophobicContact CD1-CB 4.03Å; I217-L347 HydrophobicContact CD1-CD1 4.27Å; I217-L347 HydrophobicContact CD1-CD2 3.82Å; I217-L347 HydrophobicContact CD1-CG 4.24Å; V219-L347 HydrophobicContact CG1-CD2 4.39Å; V219-L347 HydrophobicContact CG2-CD2 3.95Å; V331-L347 HydrophobicContact CB-CD1 4.41Å; V331-L347 HydrophobicContact CG2-CD1 4.23Å; L333-L347 HydrophobicContact CD1-CD2 3.88Å; I345-L347 HydrophobicContact CG2-CD2 3.78Å
348R98.5Very high95.7Very high9 Ų956.4 Ų56.43%0.03428%0.28CS..EExtended strand (participates in β ladder)trans-134.7142.4178.5-174-166.861.4-165.2-8.4108.3T31 T44 A45 I217 D218 I220 L351T31-R348 WeakPolarHBondContact O-CD 3.34Å; T31-R348 PolarHBondContact O-NH1 2.9Å; T44-R348 CarbonylContact O-C 3.47Å; T44-R348 WeakPolarHBondContact O-CA 3.02Å; T44-R348 WeakPolarHBondContact O-CG 3.43Å; A45-R348 HydrophobicContact CB-CB 4.34Å; A45-R348 HydrophobicContact CB-CG 4.43Å; I217-R348 WeakPolarHBondContact CB-O 3.43Å; D218-R348 HydrophobicContact CB-CB 4.46Å; D218-R348 PolarHBondContact N-O 2.88Å; D218-R348 PolarHBondContact O-N 3.2Å; D218-R348 IonicContact OD2-CZ 3.87Å; D218-R348 IonicContact OD2-NE 3.96Å; D218-R348 IonicContact OD2-NH2 3.53Å; D218-R348 PolarHBondContact OD2-NH2 3.04Å; I220-R348 HydrophobicContact CD1-CB 4.29Å; R348-L351 VanDerWaalsContact CZ-CG 3.46Å; R348-L351 VanDerWaalsContact NH2-CG 3.32Å
349K98.1Very high95.5Very high56 Ų5656.7 Ų56.724%0.24328%0.282CS..EExtended strand (participates in β ladder)trans-53.9147.4166.3-68.5-163174.7-163.40109.8P33 T44 V210 F211P33-K349 HydrophobicContact CG-CB 3.98Å; T44-K349 PolarHBondContact O-N 3.15Å; V210-K349 WeakPolarHBondContact O-CE 3.34Å; F211-K349 HydrophobicContact CD1-CG 4.03Å; F211-K349 HydrophobicContact CE1-CG 3.75Å
350S96.7Very high95.4Very high20 Ų2060.6 Ų60.614%0.1430%0.303CS..  trans-57.6145.9-178.5-1720000111.3L352 H354S350-L352 VanDerWaalsContact C-N 3.29Å; S350-L352 WeakPolarHBondContact CB-O 3.39Å; S350-L352 PolarHBondContact OG-N 3.06Å; S350-L352 VanDerWaalsContact OG-N 3.09Å; S350-L352 PolarHBondContact OG-O 3.45Å; S350-L352 VanDerWaalsContact OG-O 3.05Å; S350-H354 PolarHBondContact OG-NE2 2.91Å
351L96.3Very high95.2Very high71 Ų7159.4 Ų59.437%0.37230%0.295SS..SBendtrans-81.6-16.5167.7-61.7-178.5000112.4T31 W32 P33 D218 R348T31-L351 HydrophobicContact CG2-CD1 4.15Å; T31-L351 HydrophobicContact CG2-CD2 4.44Å; W32-L351 WeakPolarHBondContact O-CD2 3.02Å; P33-L351 HydrophobicContact CG-CD2 4.32Å; D218-L351 PolarHBondContact OD2-N 2.91Å; R348-L351 VanDerWaalsContact CZ-CG 3.46Å; R348-L351 VanDerWaalsContact NH2-CG 3.32Å
352L92.9Very high95.1Very high97 Ų9762.1 Ų62.151%0.50831%0.313SS..SBendtrans-104.8137.8-175.5-59.5177.9000108.6S350S350-L352 VanDerWaalsContact C-N 3.29Å; S350-L352 WeakPolarHBondContact CB-O 3.39Å; S350-L352 PolarHBondContact OG-N 3.06Å; S350-L352 VanDerWaalsContact OG-N 3.09Å; S350-L352 PolarHBondContact OG-O 3.45Å; S350-L352 VanDerWaalsContact OG-O 3.05Å
353V91.5Very high95Very high119 Ų11958.2 Ų58.272%0.72130%0.296SS*.  trans-77.4130.1165-173.30000107.2H355V353-H355 WeakPolarHBondContact CG1-NE2 3.3Å
354H93.2Very high94.8Very high43 Ų4362 Ų6220%0.19932%0.316CS..  trans-106.4127.3-177.1-63-60.7000111V216 N281 S350 A359V216-H354 WeakPolarHBondContact CG1-NE2 3.39Å; N281-H354 VanDerWaalsContact CG-CE1 3.43Å; N281-H354 PolarHBondContact OD1-CE1 3.35Å; N281-H354 PolarHBondContact OD1-NE2 3.06Å; S350-H354 PolarHBondContact OG-NE2 2.91Å; H354-A359 HydrophobicContact CB-CB 3.47Å; H354-A359 VanDerWaalsContact CB-CB 3.47Å
355H93.1Very high94.7Very high162 Ų16262.2 Ų62.275%0.7532%0.316SS*.  trans-116.9-4.2177.1-55.9-76.8000112.8V353V353-H355 WeakPolarHBondContact CG1-NE2 3.3Å
356S92.7Very high94.6Very high67 Ų6763.9 Ų63.947%0.46932%0.324SS..SBendtrans-70.5142.5-179.8690000110.6Q358 A359 V360S356-Q358 PolarHBondContact O-N 3.05Å; S356-A359 WeakPolarHBondContact O-CA 3.46Å; S356-A359 WeakPolarHBondContact O-CB 3.31Å; S356-A359 PolarHBondContact O-N 2.86Å; S356-A359 VanDerWaalsContact OG-CB 3.31Å; S356-A359 WeakPolarHBondContact OG-CB 3.24Å; S356-A359 PolarHBondContact OG-N 2.83Å; S356-V360 PolarHBondContact O-N 3.2Å; S356-V360 VanDerWaalsContact O-N 3.07Å
357R90.7Very high94.5Very high181 Ų18166.1 Ų66.168%0.68333%0.334SS*.Hα-helixtrans-52.4-42.4178.3-66.8-178.6179.9172.6-1.2112A359 V360 E361R357-A359 VanDerWaalsContact C-N 3.26Å; R357-A359 PolarHBondContact O-N 3.09Å; R357-V360 PolarHBondContact O-N 3.2Å; R357-E361 VanDerWaalsContact O-CB 3.3Å; R357-E361 WeakPolarHBondContact O-CB 3.12Å; R357-E361 PolarHBondContact O-N 3.32Å
358Q91.3Very high94.5Very high101 Ų10166.1 Ų66.147%0.47233%0.334SS..Hα-helixtrans-58.4-35.9175.31751768.400113.4S356S356-Q358 PolarHBondContact O-N 3.05Å
359A93.2Very high94.4Very high14 Ų1466.2 Ų66.212%0.11634%0.335CS..Hα-helixtrans-81.7-27.8-178.400000112.7V216 K283 H354 S356 R357V216-A359 HydrophobicContact CG2-CB 3.99Å; V216-A359 WeakPolarHBondContact CG2-O 3.38Å; K283-A359 PolarHBondContact NZ-O 2.94Å; H354-A359 HydrophobicContact CB-CB 3.47Å; H354-A359 VanDerWaalsContact CB-CB 3.47Å; S356-A359 WeakPolarHBondContact O-CA 3.46Å; S356-A359 WeakPolarHBondContact O-CB 3.31Å; S356-A359 PolarHBondContact O-N 2.86Å; S356-A359 VanDerWaalsContact OG-CB 3.31Å; S356-A359 WeakPolarHBondContact OG-CB 3.24Å; S356-A359 PolarHBondContact OG-N 2.83Å; R357-A359 VanDerWaalsContact C-N 3.26Å; R357-A359 PolarHBondContact O-N 3.09Å
360V93.1Very high94.4Very high93 Ų9363.6 Ų63.656%0.56432%0.324SS*.Hα-helixtrans-93.5-16.6-179.9-174.50000112.5S356 R357 N362S356-V360 PolarHBondContact O-N 3.2Å; S356-V360 VanDerWaalsContact O-N 3.07Å; R357-V360 PolarHBondContact O-N 3.2Å; V360-N362 PolarHBondContact O-N 2.61Å
361E92.7Very high94.4Very high18 Ų1863.3 Ų63.38%0.08432%0.321CS..  trans-52.4128.1-179.9-179.7179.9-172.400113.3R58 H61 R62 K283 R357 I363R58-E361 IonicContact CZ-OE1 3.99Å; R58-E361 IonicContact NH1-OE1 2.89Å; R58-E361 PolarHBondContact NH1-OE1 3.47Å; R58-E361 IonicContact NH1-OE2 3.96Å; R58-E361 IonicContact NH2-OE1 2.85Å; R58-E361 PolarHBondContact NH2-OE1 3.24Å; R58-E361 IonicContact NH2-OE2 2.74Å; H61-E361 PolarHBondContact N-OE1 3.41Å; R62-E361 IonicContact CZ-OE2 3.96Å; R62-E361 IonicContact NE-OE2 3.72Å; R62-E361 PolarHBondContact NE-OE2 2.97Å; R62-E361 IonicContact NH2-OE2 3.23Å; R62-E361 PolarHBondContact NH2-OE2 2.57Å; K283-E361 WeakPolarHBondContact CE-O 3.46Å; K283-E361 PolarHBondContact NZ-O 3.14Å; R357-E361 VanDerWaalsContact O-CB 3.3Å; R357-E361 WeakPolarHBondContact O-CB 3.12Å; R357-E361 PolarHBondContact O-N 3.32Å; E361-I363 HydrophobicContact CG-CD1 4.34Å
362N94.4Very high94.4Very high135 Ų13561.1 Ų61.172%0.72231%0.312SS*.  trans-72.2133.6170.6-71.6-24.2000109.9V360V360-N362 PolarHBondContact O-N 2.61Å
363I94.9Very high94.6Very high8 Ų859.2 Ų59.24%0.04130%0.299CS..  trans-99.8113.7-178.6-54.9-60.9000109.7Q213 S214 K283 Y285 E361 L365Q213-I363 PolarHBondContact NE2-O 3.25Å; S214-I363 PolarHBondContact OG-N 2.93Å; K283-I363 HydrophobicContact CG-CD1 4.36Å; K283-I363 HydrophobicContact CG-CG1 4.05Å; Y285-I363 HydrophobicContact CD1-CB 4.47Å; Y285-I363 HydrophobicContact CD1-CD1 4.38Å; Y285-I363 HydrophobicContact CD1-CG1 3.96Å; Y285-I363 HydrophobicContact CD1-CG2 3.95Å; Y285-I363 HydrophobicContact CD2-CG2 4.19Å; Y285-I363 HydrophobicContact CE1-CD1 4Å; Y285-I363 HydrophobicContact CE1-CG1 4.09Å; Y285-I363 HydrophobicContact CE1-CG2 4.39Å; Y285-I363 HydrophobicContact CG-CG2 3.82Å; E361-I363 HydrophobicContact CG-CD1 4.34Å; I363-L365 HydrophobicContact CG2-CD2 3.73Å; I363-L365 HydrophobicContact CG2-CG 4.3Å
364E94.5Very high94.8Very high108 Ų10859 Ų5951%0.50529%0.289SS..  trans-109131.7165.6-169.5-179.5164.500108.7R58R58-E364 VanDerWaalsContact CB-O 3.22Å; R58-E364 WeakPolarHBondContact CB-O 3.22Å
365L96.4Very high94.8Very high4 Ų460 Ų602%0.02131%0.31CS..  trans-104.1131.4-178.2-58.8178.4000109.1T56 R58 Y285 R286 T305 M332 I363 I368T56-L365 HydrophobicContact CG2-CD1 4.33Å; R58-L365 HydrophobicContact CB-CD2 4.22Å; Y285-L365 HydrophobicContact CD2-CD2 3.87Å; Y285-L365 HydrophobicContact CG-CD2 4.42Å; R286-L365 HydrophobicContact CB-CD1 4.24Å; T305-L365 WeakPolarHBondContact CB-O 3.41Å; T305-L365 HydrophobicContact CG2-CB 4.11Å; T305-L365 VanDerWaalsContact CG2-O 3.26Å; T305-L365 WeakPolarHBondContact CG2-O 3.31Å; M332-L365 HydrophobicContact CE-CD1 4.31Å; M332-L365 HydrophobicContact SD-CD1 3.72Å; I363-L365 HydrophobicContact CG2-CD2 3.73Å; I363-L365 HydrophobicContact CG2-CG 4.3Å; L365-I368 HydrophobicContact CD1-CD1 3.96Å; L365-I368 HydrophobicContact CD1-CG1 4.05Å
366K96Very high95Very high35 Ų3561.1 Ų61.115%0.15232%0.316CS..SBendtrans-87.9-30.7173.8-71.4-170.1174.4-179.50112.7L57 E59 E71 T305 Y307L57-K366 HydrophobicContact CD2-CB 4.47Å; L57-K366 PolarHBondContact O-N 2.87Å; E59-K366 WeakPolarHBondContact OE2-CE 3.28Å; E59-K366 IonicContact OE2-NZ 2.75Å; E59-K366 PolarHBondContact OE2-NZ 2.89Å; E71-K366 HydrophobicContact CG-CD 4.32Å; E71-K366 WeakPolarHBondContact OE1-CD 3.38Å; E71-K366 IonicContact OE1-NZ 3.01Å; E71-K366 PolarHBondContact OE1-NZ 2.9Å; T305-K366 PolarHBondContact OG1-O 3.01Å; Y307-K366 HydrophobicContact CD2-CB 4.21Å; Y307-K366 HydrophobicContact CD2-CG 3.97Å; Y307-K366 HydrophobicContact CE2-CG 3.82Å; Y307-K366 HydrophobicContact CG-CG 4.42Å
367F96.5Very high95.1Very high48 Ų4859.3 Ų59.321%0.21131%0.307CS..EExtended strand (participates in β ladder)trans-155.9145.6-179.8168.9-99.4000111.7T56 L57 K312 D369 Q380T56-F367 CarbonylContact C-O 3.45Å; T56-F367 WeakPolarHBondContact CA-O 3.25Å; T56-F367 WeakPolarHBondContact CB-O 3.33Å; L57-F367 HydrophobicContact CB-CB 3.77Å; L57-F367 HydrophobicContact CB-CD1 4.31Å; L57-F367 HydrophobicContact CD2-CB 4.38Å; L57-F367 PolarHBondContact N-O 2.79Å; L57-F367 PolarHBondContact O-N 2.95Å; L57-F367 VanDerWaalsContact O-N 3.17Å; K312-F367 VanDerWaalsContact NZ-CE2 3.34Å; F367-D369 HydrophobicContact CE1-CB 3.7Å; F367-D369 HydrophobicContact CZ-CB 4.06Å; F367-Q380 HydrophobicContact CE2-CG 4.23Å; F367-Q380 HydrophobicContact CZ-CG 4.38Å
368I97.7Very high95.3Very high0 Ų060.8 Ų60.80%031%0.313CS..EExtended strand (participates in β ladder)trans-124.2126.3171-59.5165.2000107.9T54 T56 A303 T305 K312 I314 M332 L365 T370T54-I368 HydrophobicContact CG2-CG2 4.21Å; T56-I368 HydrophobicContact CG2-CB 4.45Å; T56-I368 HydrophobicContact CG2-CG1 3.93Å; T56-I368 HydrophobicContact CG2-CG2 4.41Å; A303-I368 HydrophobicContact CB-CB 4.49Å; A303-I368 HydrophobicContact CB-CD1 4.22Å; A303-I368 HydrophobicContact CB-CG2 4.27Å; A303-I368 WeakPolarHBondContact O-CD1 3.42Å; T305-I368 HydrophobicContact CG2-CD1 4.34Å; T305-I368 HydrophobicContact CG2-CG1 4.33Å; K312-I368 WeakPolarHBondContact CE-O 3.48Å; K312-I368 PolarHBondContact NZ-O 3.24Å; I314-I368 HydrophobicContact CD1-CG2 3.73Å; M332-I368 HydrophobicContact CE-CD1 3.74Å; M332-I368 HydrophobicContact CE-CG1 4.04Å; M332-I368 HydrophobicContact CE-CG2 4.07Å; L365-I368 HydrophobicContact CD1-CD1 3.96Å; L365-I368 HydrophobicContact CD1-CG1 4.05Å; I368-T370 PolarHBondContact O-N 2.78Å
369D97.4Very high95.6Very high10 Ų1057.4 Ų57.45%0.05330%0.297CS..  trans-78.9117.6-179.7176.143.8000111.8T54 H55 F367 T371 K373 Q380T54-D369 PolarHBondContact OG1-O 3.18Å; H55-D369 WeakPolarHBondContact CE1-CB 3.03Å; H55-D369 IonicContact CE1-OD2 3.21Å; H55-D369 PolarHBondContact CE1-OD2 3.26Å; H55-D369 IonicContact ND1-OD2 2.57Å; H55-D369 PolarHBondContact ND1-OD2 3.34Å; H55-D369 IonicContact NE2-OD2 3.8Å; H55-D369 WeakPolarHBondContact O-CB 2.93Å; H55-D369 PolarHBondContact O-N 3.29Å; H55-D369 VanDerWaalsContact O-N 3.09Å; F367-D369 HydrophobicContact CE1-CB 3.7Å; F367-D369 HydrophobicContact CZ-CB 4.06Å; D369-T371 WeakPolarHBondContact OD1-CB 3.33Å; D369-T371 VanDerWaalsContact OD1-CG2 3.23Å; D369-T371 WeakPolarHBondContact OD1-CG2 3.37Å; D369-T371 PolarHBondContact OD1-N 3.35Å; D369-T371 PolarHBondContact OD1-OG1 3.26Å; D369-T371 PolarHBondContact OD2-OG1 3.24Å; D369-K373 VanDerWaalsContact CG-NZ 3.32Å; D369-K373 IonicContact OD1-NZ 3.93Å; D369-K373 VanDerWaalsContact OD2-CE 3.25Å; D369-K373 WeakPolarHBondContact OD2-CE 3.3Å; D369-K373 IonicContact OD2-NZ 3.72Å; D369-K373 PolarHBondContact OD2-NZ 3.29Å; D369-Q380 PolarHBondContact OD1-NE2 3.12Å; D369-Q380 PolarHBondContact OD1-OE1 2.63Å
370T96.7Very high95.6Very high2 Ų258.6 Ų58.61%0.01230%0.3CS..  trans-113.612.9178.359.10000112.3A303 K312 S313 P316 L317 I368 Q380A303-T370 HydrophobicContact CB-CG2 4.21Å; K312-T370 HydrophobicContact CD-CG2 4.04Å; K312-T370 HydrophobicContact CG-CG2 4.25Å; S313-T370 WeakPolarHBondContact O-CG2 3.23Å; P316-T370 CarbonylContact C-O 3.58Å; P316-T370 WeakPolarHBondContact CA-O 3.27Å; P316-T370 WeakPolarHBondContact CB-O 3.31Å; L317-T370 PolarHBondContact N-O 2.85Å; I368-T370 PolarHBondContact O-N 2.78Å; T370-Q380 PolarHBondContact OG1-O 3.19Å; T370-Q380 PolarHBondContact OG1-OE1 3.36Å
371T97.3Very high95.7Very high13 Ų1355 Ų558%0.0828%0.278CS..SBendtrans-55.6154.4171.853.80000113P316 D369 K373 F379P316-T371 WeakPolarHBondContact CB-O 3.33Å; D369-T371 WeakPolarHBondContact OD1-CB 3.33Å; D369-T371 VanDerWaalsContact OD1-CG2 3.23Å; D369-T371 WeakPolarHBondContact OD1-CG2 3.37Å; D369-T371 PolarHBondContact OD1-N 3.35Å; D369-T371 PolarHBondContact OD1-OG1 3.26Å; D369-T371 PolarHBondContact OD2-OG1 3.24Å; T371-K373 PolarHBondContact O-N 2.91Å; T371-K373 PolarHBondContact O-NZ 2.74Å; T371-K373 PolarHBondContact OG1-NZ 3Å; T371-F379 WeakPolarHBondContact CA-O 3.34Å; T371-F379 WeakPolarHBondContact CG2-O 3.37Å
372S97.3Very high95.7Very high26 Ų2657.2 Ų57.218%0.18230%0.299CS..  trans-53.7127.1173.1175.90000111.1L317 F374 G377L317-S372 WeakPolarHBondContact O-CA 3.11Å; L317-S372 WeakPolarHBondContact O-CB 3.35Å; S372-F374 VanDerWaalsContact C-N 3.34Å; S372-F374 PolarHBondContact OG-N 3.22Å; S372-F374 VanDerWaalsContact OG-N 3.12Å; S372-F374 PolarHBondContact OG-O 2.81Å; S372-G377 PolarHBondContact O-N 3.32Å
373K96.7Very high95.6Very high56 Ų5657.8 Ų57.824%0.24330%0.297CS..THydrogen-bonded Turntrans-94.94.9172.7-53.6-60.5-177.9-90.10112.3T54 P316 P321 D369 T371T54-K373 WeakPolarHBondContact OG1-CE 3.4Å; P316-K373 HydrophobicContact CB-CG 4.18Å; P316-K373 HydrophobicContact CG-CG 4.12Å; P321-K373 HydrophobicContact CG-CB 3.74Å; P321-K373 VanDerWaalsContact CG-O 3.3Å; P321-K373 WeakPolarHBondContact CG-O 3.15Å; D369-K373 VanDerWaalsContact CG-NZ 3.32Å; D369-K373 IonicContact OD1-NZ 3.93Å; D369-K373 VanDerWaalsContact OD2-CE 3.25Å; D369-K373 WeakPolarHBondContact OD2-CE 3.3Å; D369-K373 IonicContact OD2-NZ 3.72Å; D369-K373 PolarHBondContact OD2-NZ 3.29Å; T371-K373 PolarHBondContact O-N 2.91Å; T371-K373 PolarHBondContact O-NZ 2.74Å; T371-K373 PolarHBondContact OG1-NZ 3Å
374F94.4Very high95.6Very high115 Ų11561.1 Ų61.150%0.50431%0.313SS..THydrogen-bonded Turntrans-95.4101.4163.8-81-83.5000108.2P321 S372P321-F374 VanDerWaalsContact CA-CZ 3.45Å; P321-F374 HydrophobicContact CB-CD1 4.22Å; P321-F374 HydrophobicContact CB-CD2 3.95Å; P321-F374 HydrophobicContact CB-CE1 3.84Å; P321-F374 HydrophobicContact CB-CE2 3.57Å; P321-F374 HydrophobicContact CB-CG 4.28Å; P321-F374 HydrophobicContact CB-CZ 3.51Å; P321-F374 HydrophobicContact CG-CD2 3.77Å; P321-F374 HydrophobicContact CG-CE2 3.85Å; P321-F374 HydrophobicContact CG-CG 4.15Å; P321-F374 HydrophobicContact CG-CZ 4.27Å; S372-F374 VanDerWaalsContact C-N 3.34Å; S372-F374 PolarHBondContact OG-N 3.22Å; S372-F374 VanDerWaalsContact OG-N 3.12Å; S372-F374 PolarHBondContact OG-O 2.81Å
375G94.6Very high95.6Very high63 Ų6360.1 Ų60.165%0.64931%0.307SS*.THydrogen-bonded Turntrans79.7-146.3-172.800000112.4
376H95.9Very high95.5Very high187 Ų18767.6 Ų67.687%0.86634%0.335SS*.THydrogen-bonded Turntrans-108.790.9-178.3-59-74.9000109.9
377G94.8Very high95.4Very high28 Ų2870 Ų7029%0.28936%0.362SS..  trans-69.6134.6176.800000112.1S372S372-G377 PolarHBondContact O-N 3.32Å
378R96Very high95.4Very high212 Ų21275.4 Ų75.480%0.839%0.385SS*.  trans-107.9-12.8178.4-64.9-173.7-179.8-174.7-0.7114.6
379F96.6Very high95.3Very high31 Ų3179.8 Ų79.814%0.13641%0.407CS..  trans-122.4143.3-174.7-51.2-74.4000109.7L317 T371 E384 K385 F388 M389L317-F379 HydrophobicContact CD1-CB 4.13Å; L317-F379 VanDerWaalsContact CD1-O 3.25Å; L317-F379 WeakPolarHBondContact CD1-O 3.44Å; T371-F379 WeakPolarHBondContact CA-O 3.34Å; T371-F379 WeakPolarHBondContact CG2-O 3.37Å; F379-E384 HydrophobicContact CD1-CG 4.21Å; F379-K385 HydrophobicContact CB-CB 3.86Å; F379-K385 HydrophobicContact CD1-CB 4.27Å; F379-K385 HydrophobicContact CD2-CB 3.69Å; F379-K385 HydrophobicContact CD2-CD 3.89Å; F379-K385 HydrophobicContact CD2-CG 3.56Å; F379-K385 HydrophobicContact CE2-CB 4.31Å; F379-K385 HydrophobicContact CE2-CD 4.32Å; F379-K385 HydrophobicContact CE2-CG 3.82Å; F379-K385 HydrophobicContact CG-CB 3.66Å; F379-K385 HydrophobicContact CG-CG 4.07Å; F379-F388 HydrophobicContact CD1-CB 4.4Å; F379-F388 HydrophobicContact CE1-CB 3.59Å; F379-F388 AromaticContact CE1-CD1 3.55Å; F379-F388 HydrophobicContact CE1-CD1 3.55Å; F379-F388 HydrophobicContact CE1-CD2 4.25Å; F379-F388 HydrophobicContact CE1-CE1 4.3Å; F379-F388 AromaticContact CE1-CG 3.52Å; F379-F388 HydrophobicContact CE1-CG 3.52Å; F379-F388 HydrophobicContact CZ-CB 4.2Å; F379-F388 AromaticContact CZ-CD1 3.43Å; F379-F388 HydrophobicContact CZ-CD1 3.43Å; F379-F388 VanDerWaalsContact CZ-CD1 3.43Å; F379-F388 HydrophobicContact CZ-CE1 4.01Å; F379-F388 AromaticContact CZ-CG 3.93Å; F379-F388 HydrophobicContact CZ-CG 3.93Å; F379-M389 HydrophobicContact CZ-CG 4.34Å
380Q94.8Very high95.1Very high39 Ų3980.4 Ų80.418%0.18242%0.416CS..SBendtrans-83.4-37.5178.4-59.1-59.6-32.100111.8F367 D369 T370 E384F367-Q380 HydrophobicContact CE2-CG 4.23Å; F367-Q380 HydrophobicContact CZ-CG 4.38Å; D369-Q380 PolarHBondContact OD1-NE2 3.12Å; D369-Q380 PolarHBondContact OD1-OE1 2.63Å; T370-Q380 PolarHBondContact OG1-O 3.19Å; T370-Q380 PolarHBondContact OG1-OE1 3.36Å; Q380-E384 WeakPolarHBondContact CA-OE2 3.47Å; Q380-E384 VanDerWaalsContact CB-OE2 3.31Å; Q380-E384 WeakPolarHBondContact CB-OE2 3.27Å; Q380-E384 PolarHBondContact N-OE2 3.41Å
381T94.4Very high94.9Very high17 Ų1785.7 Ų85.710%0.10445%0.45CS..SBendtrans-124.7161.3-179.1730000112.3K312 E383 E384 K385K312-T381 HydrophobicContact CB-CG2 4.17Å; T381-E383 VanDerWaalsContact C-N 3.28Å; T381-E384 PolarHBondContact N-OE2 3.43Å; T381-E384 VanDerWaalsContact OG1-CB 3.27Å; T381-E384 WeakPolarHBondContact OG1-CB 3.25Å; T381-E384 PolarHBondContact OG1-N 2.75Å; T381-K385 PolarHBondContact O-N 2.84Å
382A92.7Very high94.7Very high64 Ų6487.4 Ų87.453%0.52946%0.457SS..Hα-helixtrans-70.6-30.8177.200000111.4L317 R386L317-A382 HydrophobicContact CD2-CB 4.17Å; A382-R386 WeakPolarHBondContact O-CB 3.39Å; A382-R386 PolarHBondContact O-N 3Å
383E92.5Very high94.4Very high147 Ų14793.7 Ų93.769%0.68748%0.481SS*.Hα-helixtrans-67.3-48.7175.6-68.9165.7-166.500110.9T381 K385 R386 A387T381-E383 VanDerWaalsContact C-N 3.28Å; E383-K385 VanDerWaalsContact C-N 3.3Å; E383-K385 PolarHBondContact O-N 3.06Å; E383-R386 PolarHBondContact O-N 3.06Å; E383-A387 WeakPolarHBondContact O-CB 3.46Å; E383-A387 PolarHBondContact O-N 2.99Å
384E94.6Very high94.1Very high78 Ų7895.9 Ų95.936%0.36449%0.491SS..Hα-helixtrans-55.9-45.7174.4-177.1-162.9155.700111.1F379 Q380 T381 R386 A387 F388F379-E384 HydrophobicContact CD1-CG 4.21Å; Q380-E384 WeakPolarHBondContact CA-OE2 3.47Å; Q380-E384 VanDerWaalsContact CB-OE2 3.31Å; Q380-E384 WeakPolarHBondContact CB-OE2 3.27Å; Q380-E384 PolarHBondContact N-OE2 3.41Å; T381-E384 PolarHBondContact N-OE2 3.43Å; T381-E384 VanDerWaalsContact OG1-CB 3.27Å; T381-E384 WeakPolarHBondContact OG1-CB 3.25Å; T381-E384 PolarHBondContact OG1-N 2.75Å; E384-R386 VanDerWaalsContact C-N 3.34Å; E384-R386 PolarHBondContact O-N 3.19Å; E384-A387 PolarHBondContact O-N 3.35Å; E384-F388 WeakPolarHBondContact O-CB 3.46Å; E384-F388 PolarHBondContact O-N 2.95Å
385K94.9Very high93.7Very high88 Ų8892.6 Ų92.638%0.38348%0.477SS..Hα-helixtrans-60.4-42.3175.7-179.6174.3-179.9179.20112.3F379 T381 E383 M389F379-K385 HydrophobicContact CB-CB 3.86Å; F379-K385 HydrophobicContact CD1-CB 4.27Å; F379-K385 HydrophobicContact CD2-CB 3.69Å; F379-K385 HydrophobicContact CD2-CD 3.89Å; F379-K385 HydrophobicContact CD2-CG 3.56Å; F379-K385 HydrophobicContact CE2-CB 4.31Å; F379-K385 HydrophobicContact CE2-CD 4.32Å; F379-K385 HydrophobicContact CE2-CG 3.82Å; F379-K385 HydrophobicContact CG-CB 3.66Å; F379-K385 HydrophobicContact CG-CG 4.07Å; T381-K385 PolarHBondContact O-N 2.84Å; E383-K385 VanDerWaalsContact C-N 3.3Å; E383-K385 PolarHBondContact O-N 3.06Å; K385-M389 HydrophobicContact CD-SD 4.34Å; K385-M389 WeakPolarHBondContact CE-SD 3.33Å; K385-M389 HydrophobicContact CG-CG 4.27Å; K385-M389 HydrophobicContact CG-SD 3.88Å; K385-M389 WeakPolarHBondContact O-CB 3.43Å; K385-M389 VanDerWaalsContact O-CG 3.29Å; K385-M389 WeakPolarHBondContact O-CG 3.29Å; K385-M389 PolarHBondContact O-N 3.49Å
386R93.3Very high93.2Very high161 Ų16194.1 Ų94.161%0.60847%0.47SS*.Hα-helixtrans-68.2-44.1-179.7-177-179.6-68.1164.8-0.1110.9A382 E383 E384 F388 G390A382-R386 WeakPolarHBondContact O-CB 3.39Å; A382-R386 PolarHBondContact O-N 3Å; E383-R386 PolarHBondContact O-N 3.06Å; E384-R386 VanDerWaalsContact C-N 3.34Å; E384-R386 PolarHBondContact O-N 3.19Å; R386-F388 VanDerWaalsContact C-N 3.34Å; R386-F388 PolarHBondContact O-N 3.01Å; R386-G390 PolarHBondContact O-N 2.97Å
387A94.5Very high92.7Very high86 Ų8690.5 Ų90.571%0.71145%0.453SS*.Hα-helixtrans-60.5-44.8176.900000111.3E383 E384E383-A387 WeakPolarHBondContact O-CB 3.46Å; E383-A387 PolarHBondContact O-N 2.99Å; E384-A387 PolarHBondContact O-N 3.35Å
388F96.1Very high92Very high160 Ų16097.7 Ų97.770%0.70248%0.477SS*.Hα-helixtrans-69.3-44.6179.2-177.9-88.5000113.5F379 E384 R386 G390F379-F388 HydrophobicContact CD1-CB 4.4Å; F379-F388 HydrophobicContact CE1-CB 3.59Å; F379-F388 AromaticContact CE1-CD1 3.55Å; F379-F388 HydrophobicContact CE1-CD1 3.55Å; F379-F388 HydrophobicContact CE1-CD2 4.25Å; F379-F388 HydrophobicContact CE1-CE1 4.3Å; F379-F388 AromaticContact CE1-CG 3.52Å; F379-F388 HydrophobicContact CE1-CG 3.52Å; F379-F388 HydrophobicContact CZ-CB 4.2Å; F379-F388 AromaticContact CZ-CD1 3.43Å; F379-F388 HydrophobicContact CZ-CD1 3.43Å; F379-F388 VanDerWaalsContact CZ-CD1 3.43Å; F379-F388 HydrophobicContact CZ-CE1 4.01Å; F379-F388 AromaticContact CZ-CG 3.93Å; F379-F388 HydrophobicContact CZ-CG 3.93Å; E384-F388 WeakPolarHBondContact O-CB 3.46Å; E384-F388 PolarHBondContact O-N 2.95Å; R386-F388 VanDerWaalsContact C-N 3.34Å; R386-F388 PolarHBondContact O-N 3.01Å; F388-G390 VanDerWaalsContact C-N 3.35Å
389M95.5Very high90.9Very high92 Ų9294.5 Ų94.545%0.45347%0.471SS..Hα-helixtrans-82.7-12.3-174.5-64.4-169.382.100113.8F379 K385 Q392F379-M389 HydrophobicContact CZ-CG 4.34Å; K385-M389 HydrophobicContact CD-SD 4.34Å; K385-M389 WeakPolarHBondContact CE-SD 3.33Å; K385-M389 HydrophobicContact CG-CG 4.27Å; K385-M389 HydrophobicContact CG-SD 3.88Å; K385-M389 WeakPolarHBondContact O-CB 3.43Å; K385-M389 VanDerWaalsContact O-CG 3.29Å; K385-M389 WeakPolarHBondContact O-CG 3.29Å; K385-M389 PolarHBondContact O-N 3.49Å; M389-Q392 PolarHBondContact SD-NE2 3.24Å
390G94.1Very high89.1Confident24 Ų24100.5 Ų100.525%0.24750%0.497CS..  trans63.5-170.9-175.200000114.2R386 F388 Q392R386-G390 PolarHBondContact O-N 2.97Å; F388-G390 VanDerWaalsContact C-N 3.35Å; G390-Q392 PolarHBondContact O-N 3.44Å
391P92.1Very high87.3Confident113 Ų113103.8 Ų103.873%0.73452%0.521SS*.SBendtrans-59.9130.7173.2-2233.9000111.2
392Q92Very high85.5Confident49 Ų49112.3 Ų112.323%0.22956%0.56CS.*  trans-113.6160.4176.3-60.3-177.4-13.300109.1M389 G390 K394 H395 L396M389-Q392 PolarHBondContact SD-NE2 3.24Å; G390-Q392 PolarHBondContact O-N 3.44Å; Q392-K394 VanDerWaalsContact C-N 3.26Å; Q392-K394 HydrophobicContact CB-CG 4.31Å; Q392-K394 PolarHBondContact O-N 3.11Å; Q392-K394 VanDerWaalsContact O-N 3.11Å; Q392-H395 WeakPolarHBondContact O-CA 3.34Å; Q392-H395 WeakPolarHBondContact O-CB 3.47Å; Q392-H395 PolarHBondContact O-N 2.82Å; Q392-L396 PolarHBondContact O-N 3.32Å
393K92Very high83.5Confident157 Ų157115.4 Ų115.468%0.68357%0.572SS**Hα-helixtrans-44.4-48.1177-178.2171.4173.3172.80113.7H395 L396 E397K393-H395 PolarHBondContact O-N 3.43Å; K393-L396 PolarHBondContact O-N 3.18Å; K393-E397 WeakPolarHBondContact CE-OE1 3.39Å; K393-E397 HydrophobicContact CG-CG 4.41Å; K393-E397 WeakPolarHBondContact CG-OE1 3.38Å; K393-E397 IonicContact NZ-OE1 2.75Å; K393-E397 WeakPolarHBondContact O-CG 3.48Å; K393-E397 PolarHBondContact O-N 3.2Å
394K89.8Confident81.4Confident102 Ų102113 Ų11344%0.44357%0.572SS.*Hα-helixtrans-63.3-20.3178.672.6-173.9-177.8-156.80115.4Q392 K398Q392-K394 VanDerWaalsContact C-N 3.26Å; Q392-K394 HydrophobicContact CB-CG 4.31Å; Q392-K394 PolarHBondContact O-N 3.11Å; Q392-K394 VanDerWaalsContact O-N 3.11Å; K394-K398 WeakPolarHBondContact O-CG 3.48Å
395H85.9Confident79Confident46 Ų46113.1 Ų113.121%0.21359%0.594CS.*Hα-helixtrans-81.4-45.5177.1-66.2-56000109Q392 K393 E397 K398 E399Q392-H395 WeakPolarHBondContact O-CA 3.34Å; Q392-H395 WeakPolarHBondContact O-CB 3.47Å; Q392-H395 PolarHBondContact O-N 2.82Å; K393-H395 PolarHBondContact O-N 3.43Å; H395-E397 VanDerWaalsContact C-N 3.34Å; H395-E397 PolarHBondContact O-N 3.15Å; H395-K398 PolarHBondContact O-N 3.17Å; H395-K398 VanDerWaalsContact O-N 3.15Å; H395-E399 WeakPolarHBondContact O-CG 3.44Å; H395-E399 PolarHBondContact O-N 3.28Å; H395-E399 VanDerWaalsContact O-N 3.17Å
396L84.4Confident76.7Confident96 Ų96116 Ų11650%0.50361%0.613SS.*Hα-helixtrans-62.7-38.8174.7-57.1175.2000112.3Q392 K393 K398 E399 K400Q392-L396 PolarHBondContact O-N 3.32Å; K393-L396 PolarHBondContact O-N 3.18Å; L396-K398 VanDerWaalsContact C-N 3.29Å; L396-K398 PolarHBondContact O-N 3.42Å; L396-E399 PolarHBondContact O-N 3.38Å; L396-K400 PolarHBondContact O-N 3.25Å
397E86.8Confident74.2Confident110 Ų110120 Ų12051%0.51465%0.646SS.*Hα-helixtrans-67.1-28.1176.1-73.5171.7170.400113.3K393 H395K393-E397 WeakPolarHBondContact CE-OE1 3.39Å; K393-E397 HydrophobicContact CG-CG 4.41Å; K393-E397 WeakPolarHBondContact CG-OE1 3.38Å; K393-E397 IonicContact NZ-OE1 2.75Å; K393-E397 WeakPolarHBondContact O-CG 3.48Å; K393-E397 PolarHBondContact O-N 3.2Å; H395-E397 VanDerWaalsContact C-N 3.34Å; H395-E397 PolarHBondContact O-N 3.15Å
398K78.1Confident73.2Confident180 Ų180121.8 Ų121.878%0.78364%0.643SS**Hα-helixtrans-80.2-22175.2-80.7-175.7175.1-162.10113.4K394 H395 L396K394-K398 WeakPolarHBondContact O-CG 3.48Å; H395-K398 PolarHBondContact O-N 3.17Å; H395-K398 VanDerWaalsContact O-N 3.15Å; L396-K398 VanDerWaalsContact C-N 3.29Å; L396-K398 PolarHBondContact O-N 3.42Å
399E73.2Confident72Confident145 Ų145119.7 Ų119.768%0.67864%0.639SS**Hα-helixtrans-88.3-12.5178.9-73.8171.1-176.500112.3H395 L396 P401H395-E399 WeakPolarHBondContact O-CG 3.44Å; H395-E399 PolarHBondContact O-N 3.28Å; H395-E399 VanDerWaalsContact O-N 3.17Å; L396-E399 PolarHBondContact O-N 3.38Å; E399-P401 WeakPolarHBondContact O-CD 2.84Å
400K59Low70.6Confident157 Ų157121.3 Ų121.368%0.68365%0.65SS**SBendtrans-65.6120.6167.7-71.7-172.6178.6-170.90108.2L396 E402L396-K400 PolarHBondContact O-N 3.25Å; K400-E402 PolarHBondContact O-N 2.94Å
401P56.9Low69.3Low108 Ų108127 Ų12770%0.70167%0.674SS**  trans-56.3137.9169.724.1-30.8000107.6E399 T403E399-P401 WeakPolarHBondContact O-CD 2.84Å; P401-T403 VanDerWaalsContact C-N 3.31Å; P401-T403 PolarHBondContact O-N 2.87Å
402E56.6Low67.8Low195 Ų195127.9 Ų127.991%0.91167%0.67SS**  trans-53.2105.1166.1-70.8-177.9168.800105.8K400 S404K400-E402 PolarHBondContact O-N 2.94Å; E402-S404 VanDerWaalsContact C-N 3.34Å; E402-S404 PolarHBondContact O-N 2.81Å
403T50.8Low66.2Low129 Ų129133.1 Ų133.179%0.79170%0.699SS**  trans-56.9107.1171.137.40000105.3P401 G405P401-T403 VanDerWaalsContact C-N 3.31Å; P401-T403 PolarHBondContact O-N 2.87Å; T403-G405 PolarHBondContact O-N 3.08Å; T403-G405 VanDerWaalsContact O-N 3.11Å
404S48.8Very low64.4Low98 Ų98131.4 Ų131.469%0.68570%0.7SS**  trans-40.1118.6162.943.20000107.1E402 D406E402-S404 VanDerWaalsContact C-N 3.34Å; E402-S404 PolarHBondContact O-N 2.81Å; S404-D406 PolarHBondContact O-N 3.11Å; S404-D406 VanDerWaalsContact O-N 3.08Å
405G44.4Very low62.4Low79 Ų79133.7 Ų133.781%0.81472%0.72SS**  trans-55.3118.1175.600000108.6T403T403-G405 PolarHBondContact O-N 3.08Å; T403-G405 VanDerWaalsContact O-N 3.11Å
406D46.3Very low60.5Low149 Ų149141 Ų14180%0.79776%0.762SS**  trans-77.4124.4162.9-77-35.2000108.3S404S404-D406 PolarHBondContact O-N 3.11Å; S404-D406 VanDerWaalsContact O-N 3.08Å
407L40.2Very low58.3Low246 Ų246145.1 Ų145.1100%1.28879%0.786SS**  trans74.70156.3-62.8163.5000119.6

Retrieved 407 of 407 residues in 331.6 ms (Link to these results)

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