A0A3Q0KHW2_SCHMA Loading...

Glutamine-dependent NAD(+) synthetase

AlphaFold DB , UniProt , Accession A0A3Q0KHW2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 351 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
1M38.1Very low36.6Very low248 Ų248127.9 Ų127.9100%1.22272%0.719SS**  092.40-74176.1176.600107.4A3M1-A3 PolarHBondContact O-N 3.21Å
2S34.8Very low38.4Very low120 Ų120120.8 Ų120.884%0.83968%0.683SS**  trans-73.7108.217147.70000107.3E4S2-E4 PolarHBondContact O-N 2.91Å; S2-E4 VanDerWaalsContact O-N 3.1Å
3A35.4Very low41.6Very low89 Ų89114.8 Ų114.874%0.73665%0.649SS**  trans-63.8110.9169.700000107.4M1 V5M1-A3 PolarHBondContact O-N 3.21Å; A3-V5 PolarHBondContact O-N 2.98Å
4E33.5Very low44.9Very low175 Ų175115.9 Ų115.982%0.81864%0.643SS**  trans-56.4106.2161.6-78.4-178.9155.100106.7S2 I6S2-E4 PolarHBondContact O-N 2.91Å; S2-E4 VanDerWaalsContact O-N 3.1Å; E4-I6 PolarHBondContact O-N 2.87Å
5V31.4Very low48Very low121 Ų121108.3 Ų108.373%0.73360%0.6SS**  trans-66.392.9166.6178.60000105.1A3 N7A3-V5 PolarHBondContact O-N 2.98Å; V5-N7 PolarHBondContact O-N 3.29Å
6I34.1Very low50.9Low127 Ų127103.3 Ų103.365%0.65157%0.573SS**  trans-62.792.9166.5-58.7173.6000104.9E4 F8E4-I6 PolarHBondContact O-N 2.87Å; I6-F8 HydrophobicContact CB-CD2 4.48Å; I6-F8 HydrophobicContact CG2-CD2 3.64Å; I6-F8 HydrophobicContact CG2-CE2 3.72Å; I6-F8 PolarHBondContact O-N 2.79Å
7N28.3Very low53.6Low147 Ų14797.2 Ų97.279%0.78654%0.54SS*.  trans-71.184.8176.8-140.3-1.5000105.9V5 S9V5-N7 PolarHBondContact O-N 3.29Å; N7-S9 PolarHBondContact O-N 2.8Å
8F33.1Very low56.1Low170 Ų17091.8 Ų91.875%0.74651%0.51SS*.  trans-63.782.3166.7-96.8-87000106.6I6I6-F8 HydrophobicContact CB-CD2 4.48Å; I6-F8 HydrophobicContact CG2-CD2 3.64Å; I6-F8 HydrophobicContact CG2-CE2 3.72Å; I6-F8 PolarHBondContact O-N 2.79Å
9S38.4Very low58.3Low61 Ų6187 Ų8743%0.42748%0.483SS..  trans-54.3123.2160.6-171.60000106.1N7 V11 Y186N7-S9 PolarHBondContact O-N 2.8Å; S9-V11 PolarHBondContact O-N 2.96Å; S9-Y186 PolarHBondContact OG-OH 3.19Å
10P44.8Very low60.3Low105 Ų10582.7 Ų82.768%0.68246%0.459SS*.  trans-60.6110.1-176.823.1-29.7000106S12 Y186P10-S12 PolarHBondContact O-N 3.1Å; P10-Y186 VanDerWaalsContact O-CE1 3.28Å; P10-Y186 WeakPolarHBondContact O-CE1 3.13Å
11V51Low62.2Low44 Ų4478.9 Ų78.927%0.26744%0.438SS..  trans-49105.7175.9-179.10000105.6S9 N13 E188S9-V11 PolarHBondContact O-N 2.96Å; V11-N13 PolarHBondContact O-N 3.5Å; V11-N13 PolarHBondContact O-ND2 2.83Å; V11-N13 VanDerWaalsContact O-ND2 3.11Å; V11-E188 HydrophobicContact CG1-CB 4.09Å; V11-E188 VanDerWaalsContact CG1-CD 3.43Å; V11-E188 HydrophobicContact CG1-CG 3.59Å
12S57.6Low65Low42 Ų4267.1 Ų67.129%0.29438%0.38SS..  trans-69.6110.9-177110.70000105.8P10 K14 Y186P10-S12 PolarHBondContact O-N 3.1Å; S12-K14 PolarHBondContact O-N 2.95Å; S12-Y186 VanDerWaalsContact CA-CD1 3.48Å; S12-Y186 WeakPolarHBondContact OG-CD1 3.44Å
13N80.6Confident68.1Low44 Ų4463.2 Ų63.224%0.23535%0.35CS..  trans-77.924.9174.4-60.1-56.1000111V11 L298 N299V11-N13 PolarHBondContact O-N 3.5Å; V11-N13 PolarHBondContact O-ND2 2.83Å; V11-N13 VanDerWaalsContact O-ND2 3.11Å; N13-L298 PolarHBondContact O-N 3Å; N13-N299 HydrophobicContact CB-CB 4.22Å; N13-N299 VanDerWaalsContact CG-CG 3.48Å; N13-N299 VanDerWaalsContact CG-ND2 3.27Å; N13-N299 PolarHBondContact ND2-ND2 3.41Å
14K87.7Confident71.1Confident129 Ų12959.1 Ų59.156%0.56132%0.316SS*.EExtended strand (participates in β ladder)trans-94132.6177.7-66.6-173.9-179.4-177.90108.6S12 T295 V296S12-K14 PolarHBondContact O-N 2.95Å; K14-T295 HydrophobicContact CB-CG2 3.83Å; K14-T295 HydrophobicContact CD-CG2 4.08Å; K14-T295 HydrophobicContact CG-CG2 4.27Å; K14-V296 CarbonylContact C-O 3.55Å; K14-V296 VanDerWaalsContact CA-O 3.29Å; K14-V296 WeakPolarHBondContact CA-O 3.38Å
15F90.8Very high74.1Confident2 Ų258.6 Ų58.61%0.00931%0.306CS..EExtended strand (participates in β ladder)trans-115124.7171.9172.4-114.6000108.8V17 Y50 V190 I192 A217 F249 T295 V296 L298F15-V17 HydrophobicContact CE1-CB 3.84Å; F15-V17 HydrophobicContact CE1-CG1 4.32Å; F15-V17 HydrophobicContact CZ-CB 4Å; F15-Y50 HydrophobicContact CZ-CG 4.34Å; F15-V190 HydrophobicContact CD2-CG1 4.16Å; F15-V190 HydrophobicContact CD2-CG2 4.34Å; F15-V190 HydrophobicContact CE2-CG1 4.45Å; F15-V190 HydrophobicContact CG-CG2 4.2Å; F15-I192 HydrophobicContact CE1-CD1 4.09Å; F15-I192 HydrophobicContact CE2-CD1 3.86Å; F15-I192 HydrophobicContact CZ-CD1 3.4Å; F15-I192 HydrophobicContact CZ-CG1 4.45Å; F15-A217 HydrophobicContact CE1-CB 4.46Å; F15-F249 HydrophobicContact CD1-CD1 4.36Å; F15-F249 HydrophobicContact CD1-CE1 4.26Å; F15-F249 HydrophobicContact CE1-CD1 4.48Å; F15-F249 HydrophobicContact CE1-CE1 4.18Å; F15-T295 VanDerWaalsContact O-CA 3.31Å; F15-T295 WeakPolarHBondContact O-CA 3.34Å; F15-V296 HydrophobicContact CB-CG2 4.24Å; F15-V296 HydrophobicContact CD1-CG2 4.25Å; F15-V296 PolarHBondContact N-O 3.12Å; F15-V296 PolarHBondContact O-N 2.97Å; F15-L298 HydrophobicContact CB-CD1 4.05Å; F15-L298 HydrophobicContact CB-CD2 3.93Å; F15-L298 HydrophobicContact CB-CG 4.04Å
16T94.6Very high77.3Confident28 Ų2853.7 Ų53.717%0.17228%0.279CS..EExtended strand (participates in β ladder)trans-112.1117.6179-550000109.7A48 K49 T293 V294 T295T16-A48 HydrophobicContact CG2-CB 4.22Å; T16-K49 PolarHBondContact O-N 3.44Å; T16-K49 VanDerWaalsContact O-N 3.08Å; T16-T293 HydrophobicContact CG2-CG2 4.25Å; T16-V294 WeakPolarHBondContact CA-O 3.39Å; T16-T295 WeakPolarHBondContact CG2-OG1 3.28Å; T16-T295 WeakPolarHBondContact OG1-CG2 3.16Å; T16-T295 PolarHBondContact OG1-OG1 3.3Å
17V97.1Very high80.4Confident0 Ų050.5 Ų50.50%026%0.262CS..EExtended strand (participates in β ladder)trans-111.8142.5174.661.80000109.7F15 L19 Y50 V52 L219 F249 T293 V294F15-V17 HydrophobicContact CE1-CB 3.84Å; F15-V17 HydrophobicContact CE1-CG1 4.32Å; F15-V17 HydrophobicContact CZ-CB 4Å; V17-L19 HydrophobicContact CG1-CD2 4.06Å; V17-L19 HydrophobicContact CG2-CD2 4.07Å; V17-Y50 CarbonylContact C-O 3.57Å; V17-Y50 WeakPolarHBondContact CA-O 3.27Å; V17-Y50 HydrophobicContact CG2-CD1 4.11Å; V17-Y50 HydrophobicContact CG2-CG 4.44Å; V17-V52 HydrophobicContact CG2-CG1 4.19Å; V17-L219 HydrophobicContact CG2-CD1 4.03Å; V17-L219 HydrophobicContact CG2-CD2 4.09Å; V17-F249 HydrophobicContact CG1-CE1 3.56Å; V17-F249 HydrophobicContact CG1-CZ 3.57Å; V17-T293 CarbonylContact O-C 3.53Å; V17-T293 VanDerWaalsContact O-CA 3.29Å; V17-T293 WeakPolarHBondContact O-CA 3.5Å; V17-V294 HydrophobicContact CG1-CB 4.36Å; V17-V294 PolarHBondContact N-O 3.18Å; V17-V294 PolarHBondContact O-N 2.79Å
18A98.5Very high83.7Confident0 Ų045.3 Ų45.30%024%0.235CC..EExtended strand (participates in β ladder)trans-99.8123.5170.800000110.1A43 A48 Y50 V52 V291 E292 T293A18-A43 HydrophobicContact CB-CB 3.34Å; A18-A48 HydrophobicContact CB-CB 3.72Å; A18-Y50 PolarHBondContact N-O 3.24Å; A18-V52 WeakPolarHBondContact O-CG1 3.35Å; A18-V52 PolarHBondContact O-N 3.11Å; A18-V291 HydrophobicContact CB-CG1 3.84Å; A18-E292 CarbonylContact C-O 3.58Å; A18-E292 WeakPolarHBondContact CA-O 3.3Å; A18-T293 HydrophobicContact CB-CG2 4.06Å
19L98.6Very high86.8Confident1 Ų138.6 Ų38.61%0.00521%0.205CC..EExtended strand (participates in β ladder)trans-96.1116.1176-47.3-177.5000107.9V17 V52 A251 A269 A271 F279 E292 V294V17-L19 HydrophobicContact CG1-CD2 4.06Å; V17-L19 HydrophobicContact CG2-CD2 4.07Å; L19-V52 HydrophobicContact CD2-CG1 3.59Å; L19-A251 HydrophobicContact CD1-CB 4.22Å; L19-A251 HydrophobicContact CD2-CB 3.55Å; L19-A269 HydrophobicContact CB-CB 3.9Å; L19-A269 HydrophobicContact CD1-CB 4.39Å; L19-A271 HydrophobicContact CD1-CB 4Å; L19-F279 HydrophobicContact CD1-CD1 3.98Å; L19-F279 HydrophobicContact CD1-CE1 4.36Å; L19-E292 PolarHBondContact N-O 2.93Å; L19-E292 PolarHBondContact O-N 2.9Å; L19-E292 VanDerWaalsContact O-N 3.15Å; L19-V294 HydrophobicContact CD1-CG2 3.91Å; L19-V294 HydrophobicContact CG-CG2 4.41Å
20C98.6Very high89.7Confident0 Ų039.9 Ų39.90%021%0.214CC..EExtended strand (participates in β ladder)trans-108.1115.8-173.9-59.60000111.4L22 R51 V52 P54 T253 S290C20-L22 HydrophobicContact CB-CD2 4.4Å; C20-R51 VanDerWaalsContact SG-CG 3.52Å; C20-V52 WeakPolarHBondContact CB-O 3.29Å; C20-V52 PolarHBondContact N-O 2.82Å; C20-V52 VanDerWaalsContact N-O 3.07Å; C20-P54 WeakPolarHBondContact O-CD 3.09Å; C20-P54 WeakPolarHBondContact O-CG 3.27Å; C20-T253 PolarHBondContact N-OG1 3.25Å; C20-T253 PolarHBondContact O-OG1 2.85Å; C20-S290 CarbonylContact C-O 3.57Å; C20-S290 WeakPolarHBondContact CA-O 3.45Å
21V98.5Very high92.3Very high4 Ų435.1 Ų35.12%0.02419%0.185CC..EExtended strand (participates in β ladder)trans-97.2120.7170.1175.30000108.3N254 R256 A269 S290V21-N254 WeakPolarHBondContact CA-O 3.36Å; V21-R256 HydrophobicContact CG1-CB 3.45Å; V21-R256 VanDerWaalsContact CG1-CB 3.45Å; V21-R256 HydrophobicContact CG1-CG 4.42Å; V21-A269 HydrophobicContact CG2-CB 3.58Å; V21-S290 PolarHBondContact N-O 3.44Å; V21-S290 PolarHBondContact O-N 3.33Å
22L98.6Very high94.5Very high0 Ų033 Ų330%017%0.172CC..EExtended strand (participates in β ladder)trans-121141.1-175.1-56.6-171.1000111.9C20 Q24 V36 P54 E57 L255 R256 V289C20-L22 HydrophobicContact CB-CD2 4.4Å; L22-Q24 HydrophobicContact CB-CG 3.92Å; L22-Q24 HydrophobicContact CD1-CG 4.47Å; L22-Q24 PolarHBondContact O-N 3.29Å; L22-V36 HydrophobicContact CD1-CG2 4.05Å; L22-P54 HydrophobicContact CB-CG 4.14Å; L22-P54 HydrophobicContact CG-CG 4.2Å; L22-E57 WeakPolarHBondContact CD1-OE2 3.44Å; L22-L255 CarbonylContact O-C 3.58Å; L22-L255 WeakPolarHBondContact O-CA 3.47Å; L22-R256 PolarHBondContact O-N 3.19Å; L22-V289 HydrophobicContact CD2-CB 4.27Å; L22-V289 HydrophobicContact CD2-CG1 3.89Å; L22-V289 HydrophobicContact CD2-CG2 4.15Å
23N98.1Very high96.5Very high39 Ų3931.1 Ų31.121%0.20916%0.159CC..  trans-92.884.7169-170.420000109.2R35 R256 D288N23-R35 WeakPolarHBondContact O-CD 3.39Å; N23-R35 PolarHBondContact O-NE 3.02Å; N23-R35 PolarHBondContact O-NH1 2.9Å; N23-R256 VanDerWaalsContact CA-O 3.31Å; N23-R256 WeakPolarHBondContact CA-O 3.47Å; N23-R256 PolarHBondContact OD1-O 3.16Å; N23-D288 PolarHBondContact N-O 3.47Å; N23-D288 PolarHBondContact ND2-OD1 3.14Å
24Q98.3Very high97.4Very high2 Ų234.9 Ų34.91%0.00917%0.169CC..  trans-89.4161179.4-58.6-62.648.500111.2L22 N32 E57 S60 L255 D259L22-Q24 HydrophobicContact CB-CG 3.92Å; L22-Q24 HydrophobicContact CD1-CG 4.47Å; L22-Q24 PolarHBondContact O-N 3.29Å; Q24-N32 WeakPolarHBondContact CA-OD1 3.19Å; Q24-N32 WeakPolarHBondContact CB-OD1 3.4Å; Q24-N32 PolarHBondContact NE2-O 3.36Å; Q24-N32 PolarHBondContact OE1-OD1 3.06Å; Q24-N32 VanDerWaalsContact OE1-OD1 3.11Å; Q24-E57 HydrophobicContact CG-CB 4.15Å; Q24-E57 WeakPolarHBondContact CG-O 3.46Å; Q24-E57 PolarHBondContact NE2-O 3.2Å; Q24-S60 WeakPolarHBondContact CB-OG 3.45Å; Q24-L255 HydrophobicContact CB-CD2 3.9Å; Q24-L255 HydrophobicContact CG-CD2 3.71Å; Q24-D259 WeakPolarHBondContact O-CA 3.49Å; Q24-D259 WeakPolarHBondContact O-CB 3.35Å
25W98.2Very high97.9Very high164 Ų16429.6 Ų29.662%0.62115%0.146SC*.  trans-130129.5178.9-168.3-0.1000109L27 D28 N32W25-L27 PolarHBondContact O-N 2.85Å; W25-D28 HydrophobicContact CB-CB 3.89Å; W25-D28 HydrophobicContact CE3-CB 4.49Å; W25-D28 HydrophobicContact CG-CB 4.35Å; W25-D28 PolarHBondContact O-N 2.87Å; W25-D28 VanDerWaalsContact O-N 3.1Å; W25-N32 PolarHBondContact N-OD1 2.61Å; W25-N32 PolarHBondContact O-ND2 3.4Å; W25-N32 PolarHBondContact O-OD1 2.79Å
26A98.1Very high98.3Very high19 Ų1929.5 Ų29.516%0.15715%0.145CC..THydrogen-bonded Turntrans-48.8126.6177.100000111.4D28 S59 D259A26-D28 PolarHBondContact O-N 2.93Å; A26-D28 VanDerWaalsContact O-N 3.09Å; A26-S59 VanDerWaalsContact CA-O 3.32Å; A26-S59 WeakPolarHBondContact CA-O 3.42Å; A26-D259 WeakPolarHBondContact CB-O 3.16Å; A26-D259 PolarHBondContact N-O 3.48Å
27L98.1Very high98.5Very high59 Ų5928.8 Ų28.831%0.30914%0.141SC..THydrogen-bonded Turntrans64.5-0.5179.5-48.9177000116.6W25 F29 S59 C63 H66W25-L27 PolarHBondContact O-N 2.85Å; L27-F29 HydrophobicContact CB-CE2 4.31Å; L27-F29 HydrophobicContact CD2-CE2 4.14Å; L27-F29 HydrophobicContact CD2-CZ 4.09Å; L27-F29 WeakPolarHBondContact O-CD2 3.45Å; L27-F29 PolarHBondContact O-N 3.02Å; L27-S59 PolarHBondContact N-O 3.5Å; L27-C63 HydrophobicContact CD2-CB 4.43Å; L27-H66 HydrophobicContact CD1-CB 4.31Å; L27-H66 HydrophobicContact CD2-CB 4.05Å
28D98.5Very high98.6Very high38 Ų3832.8 Ų32.820%0.20316%0.159CC..  trans-77.263.3169.9-179.418.6000110.7W25 A26 S30 G31 N32 R35W25-D28 HydrophobicContact CB-CB 3.89Å; W25-D28 HydrophobicContact CE3-CB 4.49Å; W25-D28 HydrophobicContact CG-CB 4.35Å; W25-D28 PolarHBondContact O-N 2.87Å; W25-D28 VanDerWaalsContact O-N 3.1Å; A26-D28 PolarHBondContact O-N 2.93Å; A26-D28 VanDerWaalsContact O-N 3.09Å; D28-S30 PolarHBondContact O-N 3.2Å; D28-S30 VanDerWaalsContact O-N 3.09Å; D28-S30 PolarHBondContact OD1-OG 3.3Å; D28-S30 VanDerWaalsContact OD1-OG 3.09Å; D28-G31 PolarHBondContact O-N 3.35Å; D28-G31 PolarHBondContact OD1-N 3.22Å; D28-G31 WeakPolarHBondContact OD2-CA 3.02Å; D28-N32 WeakPolarHBondContact O-CB 3.24Å; D28-N32 PolarHBondContact O-N 3.35Å; D28-N32 PolarHBondContact O-ND2 2.96Å; D28-R35 IonicContact OD2-NH2 3.99Å
29F98.7Very high98.6Very high30 Ų3032.8 Ų32.813%0.13216%0.159CC..Hα-helixtrans-51.5-37.3-179.3-69.1-67.5000112.2L27 T33 I58 T72 H75L27-F29 HydrophobicContact CB-CE2 4.31Å; L27-F29 HydrophobicContact CD2-CE2 4.14Å; L27-F29 HydrophobicContact CD2-CZ 4.09Å; L27-F29 WeakPolarHBondContact O-CD2 3.45Å; L27-F29 PolarHBondContact O-N 3.02Å; F29-T33 WeakPolarHBondContact O-CB 3.48Å; F29-T33 PolarHBondContact O-N 2.84Å; F29-T33 PolarHBondContact O-OG1 3.32Å; F29-I58 HydrophobicContact CD1-CG2 4.26Å; F29-T72 HydrophobicContact CZ-CG2 4.3Å; F29-H75 HydrophobicContact CD1-CB 3.85Å; F29-H75 HydrophobicContact CD2-CB 3.56Å; F29-H75 HydrophobicContact CE1-CB 3.8Å; F29-H75 HydrophobicContact CE2-CB 3.51Å; F29-H75 AromaticContact CE2-CD2 3.89Å; F29-H75 AromaticContact CE2-CG 3.98Å; F29-H75 HydrophobicContact CG-CB 3.75Å; F29-H75 HydrophobicContact CZ-CB 3.65Å
30S98.6Very high98.6Very high87 Ų8732.7 Ų32.761%0.60816%0.159SC*.Hα-helixtrans-70.1-49.9-178.577.70000112.8D28 R34D28-S30 PolarHBondContact O-N 3.2Å; D28-S30 VanDerWaalsContact O-N 3.09Å; D28-S30 PolarHBondContact OD1-OG 3.3Å; D28-S30 VanDerWaalsContact OD1-OG 3.09Å; S30-R34 PolarHBondContact O-N 3.01Å; S30-R34 VanDerWaalsContact O-N 3.11Å
31G98.7Very high98.6Very high6 Ų634.5 Ų34.56%0.06217%0.166CC..Hα-helixtrans-71.1-40.9179.400000111.5D28 T33 R34 R35D28-G31 PolarHBondContact O-N 3.35Å; D28-G31 PolarHBondContact OD1-N 3.22Å; D28-G31 WeakPolarHBondContact OD2-CA 3.02Å; G31-T33 VanDerWaalsContact C-N 3.35Å; G31-T33 PolarHBondContact O-N 2.92Å; G31-R34 WeakPolarHBondContact O-CB 3.11Å; G31-R34 PolarHBondContact O-N 3.35Å; G31-R35 WeakPolarHBondContact O-CG 3.18Å; G31-R35 PolarHBondContact O-N 2.69Å
32N98.8Very high98.6Very high0 Ų036 Ų360%018%0.176CC..Hα-helixtrans-59.7-46.2176.4-67.6-11000111.3Q24 W25 D28 R34 R35 V36 I58Q24-N32 WeakPolarHBondContact CA-OD1 3.19Å; Q24-N32 WeakPolarHBondContact CB-OD1 3.4Å; Q24-N32 PolarHBondContact NE2-O 3.36Å; Q24-N32 PolarHBondContact OE1-OD1 3.06Å; Q24-N32 VanDerWaalsContact OE1-OD1 3.11Å; W25-N32 PolarHBondContact N-OD1 2.61Å; W25-N32 PolarHBondContact O-ND2 3.4Å; W25-N32 PolarHBondContact O-OD1 2.79Å; D28-N32 WeakPolarHBondContact O-CB 3.24Å; D28-N32 PolarHBondContact O-N 3.35Å; D28-N32 PolarHBondContact O-ND2 2.96Å; N32-R34 PolarHBondContact O-N 3.49Å; N32-R35 PolarHBondContact O-N 3.23Å; N32-R35 PolarHBondContact OD1-NH1 3.1Å; N32-V36 WeakPolarHBondContact O-CG2 3.4Å; N32-V36 PolarHBondContact O-N 2.96Å; N32-I58 VanDerWaalsContact CB-O 3.31Å; N32-I58 WeakPolarHBondContact CB-O 3.28Å; N32-I58 PolarHBondContact ND2-O 3.43Å
33T98.9Very high98.6Very high2 Ų236 Ų361%0.01218%0.176CC..Hα-helixtrans-61.6-41.8176-62.50000112.1F29 G31 R35 V36 I37 C79 K82 I83F29-T33 WeakPolarHBondContact O-CB 3.48Å; F29-T33 PolarHBondContact O-N 2.84Å; F29-T33 PolarHBondContact O-OG1 3.32Å; G31-T33 VanDerWaalsContact C-N 3.35Å; G31-T33 PolarHBondContact O-N 2.92Å; T33-R35 PolarHBondContact O-N 2.94Å; T33-V36 PolarHBondContact O-N 3.39Å; T33-I37 HydrophobicContact CG2-CD1 3.74Å; T33-I37 HydrophobicContact CG2-CG1 4.42Å; T33-I37 WeakPolarHBondContact O-CG1 3.49Å; T33-I37 PolarHBondContact O-N 2.82Å; T33-C79 VanDerWaalsContact OG1-CB 3.22Å; T33-C79 WeakPolarHBondContact OG1-CB 3.43Å; T33-C79 PolarHBondContact OG1-SG 2.76Å; T33-K82 HydrophobicContact CG2-CD 4.05Å; T33-K82 HydrophobicContact CG2-CG 4.45Å; T33-I83 HydrophobicContact CG2-CD1 4.15Å; T33-I83 HydrophobicContact CG2-CG1 3.87Å
34R98.8Very high98.5Very high122 Ų12236.4 Ų36.446%0.4618%0.176SC..Hα-helixtrans-59.6-46.5176.4179.5-175.959.578.80111.4S30 G31 N32 V36 I37 E38 D288S30-R34 PolarHBondContact O-N 3.01Å; S30-R34 VanDerWaalsContact O-N 3.11Å; G31-R34 WeakPolarHBondContact O-CB 3.11Å; G31-R34 PolarHBondContact O-N 3.35Å; N32-R34 PolarHBondContact O-N 3.49Å; R34-V36 VanDerWaalsContact C-N 3.35Å; R34-V36 PolarHBondContact O-N 2.93Å; R34-I37 PolarHBondContact O-N 2.92Å; R34-E38 IonicContact NH1-OE2 3.94Å; R34-E38 WeakPolarHBondContact O-CB 3.23Å; R34-E38 PolarHBondContact O-N 3.44Å; R34-D288 IonicContact NH2-OD2 2.82Å
35R98.8Very high98.5Very high18 Ų1843 Ų437%0.06820%0.201CC..Hα-helixtrans-63.9-38.8178.2-67.6-174.3-153.398.8-1.8112N23 D28 G31 N32 T33 S39 D288 V289N23-R35 WeakPolarHBondContact O-CD 3.39Å; N23-R35 PolarHBondContact O-NE 3.02Å; N23-R35 PolarHBondContact O-NH1 2.9Å; D28-R35 IonicContact OD2-NH2 3.99Å; G31-R35 WeakPolarHBondContact O-CG 3.18Å; G31-R35 PolarHBondContact O-N 2.69Å; N32-R35 PolarHBondContact O-N 3.23Å; N32-R35 PolarHBondContact OD1-NH1 3.1Å; T33-R35 PolarHBondContact O-N 2.94Å; R35-S39 WeakPolarHBondContact O-CB 3.44Å; R35-S39 PolarHBondContact O-N 3.43Å; R35-S39 PolarHBondContact O-OG 3.33Å; R35-D288 HydrophobicContact CG-CB 4.38Å; R35-D288 IonicContact CZ-OD2 3.59Å; R35-D288 IonicContact NE-OD2 3.8Å; R35-D288 PolarHBondContact NE-OD2 3.41Å; R35-D288 IonicContact NH2-OD2 2.79Å; R35-V289 HydrophobicContact CB-CG2 3.75Å; R35-V289 HydrophobicContact CG-CG2 3.86Å
36V98.9Very high98.4Very high0 Ų039.3 Ų39.30%019%0.192CC..Hα-helixtrans-60.7-52.3172.9172.10000110.7L22 N32 T33 R34 E38 S39 V40 E57 I58 I83 I100L22-V36 HydrophobicContact CD1-CG2 4.05Å; N32-V36 WeakPolarHBondContact O-CG2 3.4Å; N32-V36 PolarHBondContact O-N 2.96Å; T33-V36 PolarHBondContact O-N 3.39Å; R34-V36 VanDerWaalsContact C-N 3.35Å; R34-V36 PolarHBondContact O-N 2.93Å; V36-E38 VanDerWaalsContact C-N 3.35Å; V36-E38 PolarHBondContact O-N 2.73Å; V36-S39 PolarHBondContact O-N 2.92Å; V36-S39 VanDerWaalsContact O-N 3.13Å; V36-S39 PolarHBondContact O-OG 2.92Å; V36-V40 WeakPolarHBondContact O-CG2 3.39Å; V36-V40 PolarHBondContact O-N 2.66Å; V36-E57 HydrophobicContact CG2-CG 4.01Å; V36-I58 HydrophobicContact CG2-CD1 4.24Å; V36-I83 HydrophobicContact CB-CD1 4.43Å; V36-I83 HydrophobicContact CG1-CD1 3.88Å; V36-I100 HydrophobicContact CG1-CD1 3.96Å; V36-I100 HydrophobicContact CG1-CG1 4.16Å
37I98.8Very high98.2Very high14 Ų1440.6 Ų40.67%0.07221%0.207CC..Hα-helixtrans-57.6-46.8179.2-70.3163.5000111.3T33 R34 S39 V40 K41 I83 E86 M93T33-I37 HydrophobicContact CG2-CD1 3.74Å; T33-I37 HydrophobicContact CG2-CG1 4.42Å; T33-I37 WeakPolarHBondContact O-CG1 3.49Å; T33-I37 PolarHBondContact O-N 2.82Å; R34-I37 PolarHBondContact O-N 2.92Å; I37-S39 VanDerWaalsContact C-N 3.3Å; I37-S39 PolarHBondContact O-N 2.82Å; I37-V40 PolarHBondContact O-N 2.83Å; I37-K41 HydrophobicContact CG2-CD 4.03Å; I37-K41 WeakPolarHBondContact O-CG 3.44Å; I37-K41 PolarHBondContact O-N 3.27Å; I37-I83 HydrophobicContact CD1-CG1 4.37Å; I37-I83 HydrophobicContact CG1-CG1 4.06Å; I37-E86 HydrophobicContact CD1-CG 3.96Å; I37-M93 HydrophobicContact CG1-CE 4.31Å; I37-M93 HydrophobicContact CG2-CE 4.47Å; I37-M93 HydrophobicContact CG2-SD 3.9Å
38E98.7Very high98.1Very high83 Ų8337.8 Ų37.839%0.38819%0.193SC..Hα-helixtrans-58.6-42.6177.2-176.5-178.8160.700111.8R34 V36 K41 T42 V289R34-E38 IonicContact NH1-OE2 3.94Å; R34-E38 WeakPolarHBondContact O-CB 3.23Å; R34-E38 PolarHBondContact O-N 3.44Å; V36-E38 VanDerWaalsContact C-N 3.35Å; V36-E38 PolarHBondContact O-N 2.73Å; E38-K41 PolarHBondContact O-N 3.09Å; E38-T42 WeakPolarHBondContact O-CB 3.38Å; E38-T42 PolarHBondContact O-N 3.37Å; E38-T42 PolarHBondContact O-OG1 3.32Å; E38-V289 HydrophobicContact CB-CG2 4.44Å; E38-V289 HydrophobicContact CG-CG1 4.49Å; E38-V289 HydrophobicContact CG-CG2 4.4Å
39S98.8Very high97.8Very high0 Ų039.4 Ų39.40%020%0.198CC..Hα-helixtrans-67-37.3179.376.50000112.6R35 V36 I37 T42 A43 R51R35-S39 WeakPolarHBondContact O-CB 3.44Å; R35-S39 PolarHBondContact O-N 3.43Å; R35-S39 PolarHBondContact O-OG 3.33Å; V36-S39 PolarHBondContact O-N 2.92Å; V36-S39 VanDerWaalsContact O-N 3.13Å; V36-S39 PolarHBondContact O-OG 2.92Å; I37-S39 VanDerWaalsContact C-N 3.3Å; I37-S39 PolarHBondContact O-N 2.82Å; S39-T42 PolarHBondContact O-N 2.81Å; S39-A43 VanDerWaalsContact O-CB 3.24Å; S39-A43 WeakPolarHBondContact O-CB 3.41Å; S39-A43 PolarHBondContact O-N 2.92Å; S39-R51 VanDerWaalsContact OG-CZ 3.29Å; S39-R51 PolarHBondContact OG-NE 3.04Å; S39-R51 PolarHBondContact OG-NH2 3.08Å
40V98.8Very high97.7Very high0 Ų038 Ų380%019%0.192CC..Hα-helixtrans-66.1-48.6175.7174.90000110.6V36 I37 T42 A43 K44 R51 M93 I96 C98V36-V40 WeakPolarHBondContact O-CG2 3.39Å; V36-V40 PolarHBondContact O-N 2.66Å; I37-V40 PolarHBondContact O-N 2.83Å; V40-T42 VanDerWaalsContact C-N 3.28Å; V40-T42 PolarHBondContact O-N 3.29Å; V40-A43 PolarHBondContact O-N 3.4Å; V40-K44 PolarHBondContact O-N 3.25Å; V40-R51 HydrophobicContact CG2-CG 4.24Å; V40-M93 HydrophobicContact CB-CE 3.91Å; V40-M93 HydrophobicContact CB-CG 4.49Å; V40-M93 HydrophobicContact CG1-CB 4.17Å; V40-M93 HydrophobicContact CG1-CE 3.76Å; V40-M93 HydrophobicContact CG1-CG 3.83Å; V40-M93 HydrophobicContact CG2-CE 4.29Å; V40-I96 HydrophobicContact CG1-CG2 3.95Å; V40-C98 VanDerWaalsContact CG1-SG 3.52Å; V40-C98 HydrophobicContact CG2-CB 4.32Å
41K98.6Very high97.7Very high37 Ų3733.8 Ų33.816%0.16116%0.163CC..Hα-helixtrans-58.9-42.5178.1-69178.1-178.7173.10110.9I37 E38 K44 R45 E86 N90 E92 M93I37-K41 HydrophobicContact CG2-CD 4.03Å; I37-K41 WeakPolarHBondContact O-CG 3.44Å; I37-K41 PolarHBondContact O-N 3.27Å; E38-K41 PolarHBondContact O-N 3.09Å; K41-K44 PolarHBondContact O-N 2.85Å; K41-R45 WeakPolarHBondContact O-CG 3.18Å; K41-R45 PolarHBondContact O-N 3.5Å; K41-E86 IonicContact NZ-OE2 2.76Å; K41-E86 PolarHBondContact NZ-OE2 2.98Å; K41-N90 VanDerWaalsContact CE-ND2 3.27Å; K41-N90 WeakPolarHBondContact CE-ND2 3.44Å; K41-N90 PolarHBondContact NZ-ND2 3.15Å; K41-E92 HydrophobicContact CB-CB 4.34Å; K41-E92 HydrophobicContact CG-CB 4.08Å; K41-M93 VanDerWaalsContact CE-SD 3.59Å; K41-M93 HydrophobicContact CG-CG 3.68Å; K41-M93 HydrophobicContact CG-SD 4.13Å
42T98.6Very high97.7Very high35 Ų3533.5 Ų33.522%0.21516%0.16CC..Hα-helixtrans-65.8-46.8176.7-56.50000112E38 S39 V40 K44 R45 L46 V291E38-T42 WeakPolarHBondContact O-CB 3.38Å; E38-T42 PolarHBondContact O-N 3.37Å; E38-T42 PolarHBondContact O-OG1 3.32Å; S39-T42 PolarHBondContact O-N 2.81Å; V40-T42 VanDerWaalsContact C-N 3.28Å; V40-T42 PolarHBondContact O-N 3.29Å; T42-K44 VanDerWaalsContact C-N 3.27Å; T42-K44 PolarHBondContact O-N 2.97Å; T42-R45 PolarHBondContact O-N 3.49Å; T42-R45 PolarHBondContact OG1-NH2 3.46Å; T42-L46 HydrophobicContact CG2-CD1 4.1Å; T42-L46 WeakPolarHBondContact O-CG 3.42Å; T42-L46 PolarHBondContact O-N 3.5Å; T42-V291 HydrophobicContact CG2-CB 3.89Å; T42-V291 HydrophobicContact CG2-CG1 4.29Å; T42-V291 HydrophobicContact CG2-CG2 4.19Å
43A98.5Very high97.7Very high0 Ų033.6 Ų33.60%016%0.16CC..Hα-helixtrans-56.2-42.6176.100000111.9A18 S39 V40 L46 G47 A48 R51 I96 V291A18-A43 HydrophobicContact CB-CB 3.34Å; S39-A43 VanDerWaalsContact O-CB 3.24Å; S39-A43 WeakPolarHBondContact O-CB 3.41Å; S39-A43 PolarHBondContact O-N 2.92Å; V40-A43 PolarHBondContact O-N 3.4Å; A43-L46 PolarHBondContact O-N 3.39Å; A43-G47 PolarHBondContact O-N 3.27Å; A43-A48 HydrophobicContact CB-CB 4.35Å; A43-A48 WeakPolarHBondContact O-CB 3.32Å; A43-A48 PolarHBondContact O-N 3.13Å; A43-R51 HydrophobicContact CB-CB 4.02Å; A43-R51 HydrophobicContact CB-CG 4.04Å; A43-I96 HydrophobicContact CB-CD1 3.7Å; A43-V291 HydrophobicContact CB-CG1 4Å
44K96.6Very high97.7Very high48 Ų4833.5 Ų33.521%0.20916%0.16CC..Hα-helixtrans-64-46.4177.2-176.770.4-175.2-1650112.2V40 K41 T42 L46 G47 E92 Q94 D95 I96V40-K44 PolarHBondContact O-N 3.25Å; K41-K44 PolarHBondContact O-N 2.85Å; T42-K44 VanDerWaalsContact C-N 3.27Å; T42-K44 PolarHBondContact O-N 2.97Å; K44-L46 PolarHBondContact O-N 3.01Å; K44-G47 WeakPolarHBondContact O-CA 3.46Å; K44-G47 PolarHBondContact O-N 2.7Å; K44-E92 WeakPolarHBondContact CB-O 3.24Å; K44-E92 VanDerWaalsContact CG-O 3.24Å; K44-E92 WeakPolarHBondContact CG-O 3.32Å; K44-Q94 WeakPolarHBondContact CD-O 3.33Å; K44-Q94 WeakPolarHBondContact CE-O 3.45Å; K44-Q94 PolarHBondContact NZ-O 3.4Å; K44-D95 PolarHBondContact NZ-O 2.97Å; K44-I96 HydrophobicContact CB-CD1 4.3Å; K44-I96 HydrophobicContact CD-CB 4.09Å; K44-I96 HydrophobicContact CD-CG2 4.17Å
45R97.7Very high97.7Very high142 Ų14227.7 Ų27.754%0.53614%0.138SC..Hα-helixtrans-60-34.7176.8-75.4-171.5-65.9-951.4112.5K41 T42 G47 E92K41-R45 WeakPolarHBondContact O-CG 3.18Å; K41-R45 PolarHBondContact O-N 3.5Å; T42-R45 PolarHBondContact O-N 3.49Å; T42-R45 PolarHBondContact OG1-NH2 3.46Å; R45-G47 PolarHBondContact O-N 3Å; R45-E92 WeakPolarHBondContact CD-OE1 3.47Å; R45-E92 WeakPolarHBondContact CG-OE1 3.46Å; R45-E92 IonicContact CZ-OE1 3.5Å; R45-E92 IonicContact NE-OE1 2.79Å; R45-E92 IonicContact NH1-OE1 3.67Å; R45-E92 PolarHBondContact NH1-OE1 3.28Å; R45-E92 IonicContact NH1-OE2 3.07Å; R45-E92 PolarHBondContact NH1-OE2 3.32Å
46L97.1Very high97.7Very high85 Ų8526.9 Ų26.945%0.44514%0.135SC..THydrogen-bonded Turntrans-76.42174.2-63173.9000113.5T42 A43 K44 V291 T293T42-L46 HydrophobicContact CG2-CD1 4.1Å; T42-L46 WeakPolarHBondContact O-CG 3.42Å; T42-L46 PolarHBondContact O-N 3.5Å; A43-L46 PolarHBondContact O-N 3.39Å; K44-L46 PolarHBondContact O-N 3.01Å; L46-V291 HydrophobicContact CD1-CG1 4.21Å; L46-T293 HydrophobicContact CB-CG2 3.49Å; L46-T293 VanDerWaalsContact CB-CG2 3.49Å; L46-T293 HydrophobicContact CD1-CG2 3.96Å; L46-T293 HydrophobicContact CG-CG2 4.38Å
47G93.8Very high97.7Very high46 Ų4626.9 Ų26.947%0.47414%0.135SC..THydrogen-bonded Turntrans83.210.1175.200000114.9A43 K44 R45A43-G47 PolarHBondContact O-N 3.27Å; K44-G47 WeakPolarHBondContact O-CA 3.46Å; K44-G47 PolarHBondContact O-N 2.7Å; R45-G47 PolarHBondContact O-N 3Å
48A95.4Very high97.7Very high1 Ų126.2 Ų26.21%0.00813%0.131CC..  trans-68.9145.3177.100000112T16 A18 A43 I96 T293T16-A48 HydrophobicContact CG2-CB 4.22Å; A18-A48 HydrophobicContact CB-CB 3.72Å; A43-A48 HydrophobicContact CB-CB 4.35Å; A43-A48 WeakPolarHBondContact O-CB 3.32Å; A43-A48 PolarHBondContact O-N 3.13Å; A48-I96 HydrophobicContact CB-CD1 4.43Å; A48-T293 HydrophobicContact CB-CG2 4.03Å
49K92.4Very high97.7Very high71 Ų7122.2 Ų22.231%0.30911%0.113SC..SBendtrans-101.6-10.3173-68.2-62.1-169.8176.20113.1T16 V97 F340T16-K49 PolarHBondContact O-N 3.44Å; T16-K49 VanDerWaalsContact O-N 3.08Å; K49-V97 PolarHBondContact O-N 2.95Å; K49-F340 HydrophobicContact CB-CZ 4.09Å; K49-F340 HydrophobicContact CD-CE1 4.45Å; K49-F340 HydrophobicContact CD-CZ 4.19Å
50Y97.1Very high97.6Very high0 Ų022.2 Ų22.20%011%0.113CC..EExtended strand (participates in β ladder)trans-138.9128.2178.6-160.3-68.9000108.6F15 V17 A18 V52 V97 D99 L116 L179 F181 I192 L194 L219F15-Y50 HydrophobicContact CZ-CG 4.34Å; V17-Y50 CarbonylContact C-O 3.57Å; V17-Y50 WeakPolarHBondContact CA-O 3.27Å; V17-Y50 HydrophobicContact CG2-CD1 4.11Å; V17-Y50 HydrophobicContact CG2-CG 4.44Å; A18-Y50 PolarHBondContact N-O 3.24Å; Y50-V52 HydrophobicContact CD1-CB 4.38Å; Y50-V52 HydrophobicContact CE1-CB 4.17Å; Y50-V97 HydrophobicContact CD2-CB 3.81Å; Y50-V97 HydrophobicContact CD2-CG1 4.03Å; Y50-V97 HydrophobicContact CD2-CG2 4.33Å; Y50-V97 HydrophobicContact CE2-CB 4Å; Y50-V97 HydrophobicContact CE2-CG1 3.67Å; Y50-V97 HydrophobicContact CG-CB 4.29Å; Y50-D99 HydrophobicContact CE1-CB 3.58Å; Y50-D99 PolarHBondContact OH-OD2 2.86Å; Y50-L116 WeakPolarHBondContact OH-CD2 3.39Å; Y50-L179 HydrophobicContact CE2-CD1 3.69Å; Y50-F181 HydrophobicContact CD2-CE2 4.38Å; Y50-F181 AromaticContact CD2-CZ 3.84Å; Y50-F181 HydrophobicContact CD2-CZ 3.84Å; Y50-F181 HydrophobicContact CE2-CZ 4.4Å; Y50-I192 HydrophobicContact CD2-CD1 3.59Å; Y50-I192 HydrophobicContact CE2-CD1 3.89Å; Y50-I192 HydrophobicContact CG-CD1 4.4Å; Y50-L194 VanDerWaalsContact OH-CD2 3.3Å; Y50-L194 WeakPolarHBondContact OH-CD2 3.5Å; Y50-L219 HydrophobicContact CD1-CD1 3.42Å; Y50-L219 VanDerWaalsContact CD1-CD1 3.42Å; Y50-L219 HydrophobicContact CD2-CD1 4.19Å; Y50-L219 HydrophobicContact CE1-CD1 3.33Å; Y50-L219 HydrophobicContact CE2-CD1 4.14Å; Y50-L219 HydrophobicContact CG-CD1 3.88Å
51R98.5Very high97.6Very high0 Ų023 Ų230%012%0.116CC..EExtended strand (participates in β ladder)trans-111.3122.1171.1176.7-86.6-173.7-172.4-1.9107.9C20 S39 V40 A43 E57 I96 V97 D99C20-R51 VanDerWaalsContact SG-CG 3.52Å; S39-R51 VanDerWaalsContact OG-CZ 3.29Å; S39-R51 PolarHBondContact OG-NE 3.04Å; S39-R51 PolarHBondContact OG-NH2 3.08Å; V40-R51 HydrophobicContact CG2-CG 4.24Å; A43-R51 HydrophobicContact CB-CB 4.02Å; A43-R51 HydrophobicContact CB-CG 4.04Å; R51-E57 IonicContact CZ-OE1 3.52Å; R51-E57 IonicContact CZ-OE2 2.66Å; R51-E57 IonicContact NH1-OE1 2.88Å; R51-E57 PolarHBondContact NH1-OE1 2.92Å; R51-E57 IonicContact NH1-OE2 3.75Å; R51-E57 PolarHBondContact NH1-OE2 3.27Å; R51-E57 IonicContact NH2-OE1 3.71Å; R51-E57 PolarHBondContact NH2-OE1 2.93Å; R51-E57 IonicContact NH2-OE2 2.93Å; R51-E57 PolarHBondContact NH2-OE2 3.06Å; R51-I96 HydrophobicContact CB-CD1 3.97Å; R51-I96 HydrophobicContact CB-CG1 4.36Å; R51-V97 PolarHBondContact N-O 2.86Å; R51-D99 PolarHBondContact NH1-O 3.02Å; R51-D99 WeakPolarHBondContact O-CB 3.21Å; R51-D99 PolarHBondContact O-N 3.35Å
52V98.7Very high97.5Very high0 Ų021.8 Ų21.80%011%0.113CC..EExtended strand (participates in β ladder)trans-106.7123.3172.461.30000110.2V17 A18 L19 C20 Y50 L219 T253V17-V52 HydrophobicContact CG2-CG1 4.19Å; A18-V52 WeakPolarHBondContact O-CG1 3.35Å; A18-V52 PolarHBondContact O-N 3.11Å; L19-V52 HydrophobicContact CD2-CG1 3.59Å; C20-V52 WeakPolarHBondContact CB-O 3.29Å; C20-V52 PolarHBondContact N-O 2.82Å; C20-V52 VanDerWaalsContact N-O 3.07Å; Y50-V52 HydrophobicContact CD1-CB 4.38Å; Y50-V52 HydrophobicContact CE1-CB 4.17Å; V52-L219 HydrophobicContact CG2-CB 4.44Å; V52-T253 HydrophobicContact CG1-CG2 4.24Å; V52-T253 HydrophobicContact CG2-CG2 3.95Å
53G98.7Very high97.4Very high1 Ų120.2 Ų20.21%0.0110%0.104CC..PPolyproline II helixtrans-98.3170.1174.600000113.3E57 D99 S221 T253G53-E57 WeakPolarHBondContact CA-OE2 3.36Å; G53-D99 PolarHBondContact N-O 3.09Å; G53-D99 VanDerWaalsContact N-O 3.14Å; G53-S221 VanDerWaalsContact O-CB 3.3Å; G53-S221 WeakPolarHBondContact O-CB 3.43Å; G53-S221 PolarHBondContact O-OG 3.11Å; G53-T253 WeakPolarHBondContact O-CG2 3.1Å
54P98.6Very high97.3Very high0 Ų025.3 Ų25.30%013%0.128CC..PPolyproline II helixtrans-68.1166.7175.1-22.938.3000113.8C20 L22 E57 S221 S222 N254 L255C20-P54 WeakPolarHBondContact O-CD 3.09Å; C20-P54 WeakPolarHBondContact O-CG 3.27Å; L22-P54 HydrophobicContact CB-CG 4.14Å; L22-P54 HydrophobicContact CG-CG 4.2Å; P54-E57 HydrophobicContact CB-CB 4.41Å; P54-E57 WeakPolarHBondContact CD-OE2 3.29Å; P54-E57 WeakPolarHBondContact O-CB 3.22Å; P54-S221 PolarHBondContact O-OG 2.94Å; P54-S222 WeakPolarHBondContact CB-O 3.48Å; P54-N254 VanDerWaalsContact CG-O 3.26Å; P54-N254 WeakPolarHBondContact CG-O 3.27Å; P54-L255 HydrophobicContact CB-CB 4.5Å; P54-L255 HydrophobicContact CB-CD2 3.55Å; P54-L255 HydrophobicContact CB-CG 3.73Å; P54-L255 HydrophobicContact CG-CD2 3.97Å; P54-L255 HydrophobicContact CG-CG 4.48Å
55E98.7Very high97.4Very high1 Ų126.3 Ų26.31%0.00514%0.136CC..THydrogen-bonded Turntrans-66.5136.8179.6176.5174.5-153.100110.7E57 Y61 N112 K128 T196 C197 S221 S222 A223E55-E57 PolarHBondContact O-N 3.46Å; E55-Y61 HydrophobicContact CG-CD2 4.12Å; E55-Y61 HydrophobicContact CG-CE2 4.46Å; E55-N112 PolarHBondContact OE1-ND2 3.29Å; E55-K128 WeakPolarHBondContact OE1-CE 3.16Å; E55-K128 IonicContact OE1-NZ 3.75Å; E55-K128 PolarHBondContact OE1-NZ 3.21Å; E55-K128 IonicContact OE2-NZ 3.94Å; E55-T196 HydrophobicContact CB-CG2 4.33Å; E55-T196 HydrophobicContact CG-CG2 3.88Å; E55-T196 WeakPolarHBondContact OE1-CG2 3.41Å; E55-C197 WeakPolarHBondContact OE2-CB 3.02Å; E55-S221 WeakPolarHBondContact CA-OG 3.25Å; E55-S221 PolarHBondContact N-OG 2.92Å; E55-S222 VanDerWaalsContact CB-C 3.41Å; E55-S222 PolarHBondContact N-O 3.4Å; E55-S222 VanDerWaalsContact N-O 3.14Å; E55-A223 HydrophobicContact CB-CB 3.96Å; E55-A223 HydrophobicContact CG-CB 4.45Å; E55-A223 PolarHBondContact OE2-N 3.38Å
56L98.7Very high97.4Very high0 Ų023.1 Ų23.10%013%0.126CC..THydrogen-bonded Turntrans51.425.3-179.7-64.2174.3000114.6I58 S59 S60 Y61 F67 G101 M102 P103 N112 F143L56-I58 PolarHBondContact O-N 3.22Å; L56-S59 PolarHBondContact O-N 2.92Å; L56-S59 PolarHBondContact O-OG 2.85Å; L56-S60 CarbonylContact O-C 3.59Å; L56-S60 VanDerWaalsContact O-C 3.27Å; L56-S60 WeakPolarHBondContact O-CA 3.4Å; L56-S60 PolarHBondContact O-N 2.87Å; L56-Y61 HydrophobicContact CD1-CD2 3.96Å; L56-F67 HydrophobicContact CD1-CE1 4.47Å; L56-F67 HydrophobicContact CD1-CE2 4.26Å; L56-F67 HydrophobicContact CD1-CZ 3.75Å; L56-G101 CarbonylContact C-O 3.56Å; L56-G101 VanDerWaalsContact C-O 3.27Å; L56-M102 VanDerWaalsContact CD2-C 3.44Å; L56-P103 HydrophobicContact CD2-CB 4.35Å; L56-N112 HydrophobicContact CD2-CB 4.26Å; L56-N112 WeakPolarHBondContact CD2-OD1 3.36Å; L56-F143 HydrophobicContact CD1-CE2 4Å; L56-F143 HydrophobicContact CD1-CZ 4.11Å; L56-F143 HydrophobicContact CD2-CZ 4.48Å
57E98.7Very high97.4Very high0 Ų019.2 Ų19.20%011%0.106CC..THydrogen-bonded Turntrans-57.7-20.3-170.665175.9174.700116L22 Q24 V36 R51 G53 P54 E55 I100 G101L22-E57 WeakPolarHBondContact CD1-OE2 3.44Å; Q24-E57 HydrophobicContact CG-CB 4.15Å; Q24-E57 WeakPolarHBondContact CG-O 3.46Å; Q24-E57 PolarHBondContact NE2-O 3.2Å; V36-E57 HydrophobicContact CG2-CG 4.01Å; R51-E57 IonicContact CZ-OE1 3.52Å; R51-E57 IonicContact CZ-OE2 2.66Å; R51-E57 IonicContact NH1-OE1 2.88Å; R51-E57 PolarHBondContact NH1-OE1 2.92Å; R51-E57 IonicContact NH1-OE2 3.75Å; R51-E57 PolarHBondContact NH1-OE2 3.27Å; R51-E57 IonicContact NH2-OE1 3.71Å; R51-E57 PolarHBondContact NH2-OE1 2.93Å; R51-E57 IonicContact NH2-OE2 2.93Å; R51-E57 PolarHBondContact NH2-OE2 3.06Å; G53-E57 WeakPolarHBondContact CA-OE2 3.36Å; P54-E57 HydrophobicContact CB-CB 4.41Å; P54-E57 WeakPolarHBondContact CD-OE2 3.29Å; P54-E57 WeakPolarHBondContact O-CB 3.22Å; E55-E57 PolarHBondContact O-N 3.46Å; E57-I100 HydrophobicContact CG-CG2 4.19Å; E57-I100 WeakPolarHBondContact OE1-CA 3.34Å; E57-I100 WeakPolarHBondContact OE1-CG2 3.35Å; E57-G101 PolarHBondContact N-O 3.45Å; E57-G101 VanDerWaalsContact N-O 3.13Å
58I98.7Very high97.6Very high0 Ų022.7 Ų22.70%011%0.109CC..THydrogen-bonded Turntrans-72.2-50.7177-68-65.5000111.4F29 N32 V36 L56 S60 C79 I83 I100 G101 M102F29-I58 HydrophobicContact CD1-CG2 4.26Å; N32-I58 VanDerWaalsContact CB-O 3.31Å; N32-I58 WeakPolarHBondContact CB-O 3.28Å; N32-I58 PolarHBondContact ND2-O 3.43Å; V36-I58 HydrophobicContact CG2-CD1 4.24Å; L56-I58 PolarHBondContact O-N 3.22Å; I58-S60 VanDerWaalsContact C-N 3.32Å; I58-C79 HydrophobicContact CD1-CB 4.15Å; I58-C79 HydrophobicContact CG2-CB 3.66Å; I58-I83 HydrophobicContact CD1-CD1 3.73Å; I58-I100 HydrophobicContact CD1-CG2 3.76Å; I58-I100 HydrophobicContact CG1-CG2 3.45Å; I58-I100 VanDerWaalsContact CG1-CG2 3.45Å; I58-G101 WeakPolarHBondContact CG1-O 3.37Å; I58-G101 PolarHBondContact N-O 3.45Å; I58-M102 HydrophobicContact CB-CB 3.98Å; I58-M102 HydrophobicContact CG1-CB 4.2Å
59S98.4Very high97.8Very high0 Ų026.8 Ų26.80%013%0.129CC..THydrogen-bonded Turntrans-81.1-19.417555.30000111.9A26 L27 L56 C63A26-S59 VanDerWaalsContact CA-O 3.32Å; A26-S59 WeakPolarHBondContact CA-O 3.42Å; L27-S59 PolarHBondContact N-O 3.5Å; L56-S59 PolarHBondContact O-N 2.92Å; L56-S59 PolarHBondContact O-OG 2.85Å; S59-C63 PolarHBondContact O-SG 3.38Å
60S98.1Very high98Very high0 Ų029.1 Ų29.10%014%0.144CC..  trans65.6163.8-149.8-148.20000113.4Q24 L56 I58 D259Q24-S60 WeakPolarHBondContact CB-OG 3.45Å; L56-S60 CarbonylContact O-C 3.59Å; L56-S60 VanDerWaalsContact O-C 3.27Å; L56-S60 WeakPolarHBondContact O-CA 3.4Å; L56-S60 PolarHBondContact O-N 2.87Å; I58-S60 VanDerWaalsContact C-N 3.32Å; S60-D259 WeakPolarHBondContact CB-OD2 3.37Å; S60-D259 WeakPolarHBondContact OG-CB 3.35Å; S60-D259 VanDerWaalsContact OG-CG 3.31Å; S60-D259 PolarHBondContact OG-OD2 3.31Å
61Y98Very high98.1Very high17 Ų1733.8 Ų33.87%0.06717%0.169CC..SBendtrans-73.6-45.4-176.6-177.1-93000112.7E55 L56 C63 F67 H137 E139 A223 D259 Y265E55-Y61 HydrophobicContact CG-CD2 4.12Å; E55-Y61 HydrophobicContact CG-CE2 4.46Å; L56-Y61 HydrophobicContact CD1-CD2 3.96Å; Y61-C63 PolarHBondContact O-N 2.97Å; Y61-F67 WeakPolarHBondContact O-CE2 3.13Å; Y61-H137 AromaticContact CE1-ND1 3.77Å; Y61-H137 AromaticContact CZ-ND1 3.61Å; Y61-H137 PolarHBondContact OH-ND1 3.22Å; Y61-E139 WeakPolarHBondContact CE2-OE1 3.29Å; Y61-E139 WeakPolarHBondContact OH-CG 3.31Å; Y61-E139 PolarHBondContact OH-OE1 3.34Å; Y61-A223 HydrophobicContact CD1-CB 4.2Å; Y61-A223 HydrophobicContact CD2-CB 3.34Å; Y61-A223 HydrophobicContact CE2-CB 4.06Å; Y61-A223 HydrophobicContact CG-CB 3.42Å; Y61-A223 VanDerWaalsContact CG-CB 3.42Å; Y61-D259 PolarHBondContact N-OD2 2.95Å; Y61-D259 VanDerWaalsContact N-OD2 3.09Å; Y61-Y265 HydrophobicContact CD1-CE1 4.27Å; Y61-Y265 VanDerWaalsContact CD1-OH 3.3Å; Y61-Y265 WeakPolarHBondContact CD1-OH 3.11Å
62G96.6Very high98.1Very high10 Ų1033.9 Ų33.910%0.10317%0.169CC..THydrogen-bonded Turntrans-77.632.1-171.500000115.7E64 D259 S260G62-E64 VanDerWaalsContact C-N 3.28Å; G62-D259 PolarHBondContact N-OD2 2.69Å; G62-S260 WeakPolarHBondContact CA-OG 3.48Å; G62-S260 WeakPolarHBondContact O-CB 3.38Å; G62-S260 PolarHBondContact O-OG 3.28Å
63C97.4Very high98.1Very high3 Ų334.5 Ų34.52%0.0217%0.172CC..THydrogen-bonded Turntrans-74.3-19.6176-65.30000113.2L27 S59 Y61 D65 H66 F67L27-C63 HydrophobicContact CD2-CB 4.43Å; S59-C63 PolarHBondContact O-SG 3.38Å; Y61-C63 PolarHBondContact O-N 2.97Å; C63-D65 PolarHBondContact O-N 2.86Å; C63-H66 HydrophobicContact CB-CB 4.17Å; C63-H66 WeakPolarHBondContact O-CB 3.47Å; C63-H66 PolarHBondContact O-CD2 3Å; C63-H66 PolarHBondContact O-N 2.99Å; C63-H66 VanDerWaalsContact O-N 3.08Å; C63-F67 HydrophobicContact CB-CD1 4.21Å; C63-F67 HydrophobicContact CB-CD2 4.14Å; C63-F67 HydrophobicContact CB-CE1 3.79Å; C63-F67 HydrophobicContact CB-CE2 3.73Å; C63-F67 HydrophobicContact CB-CG 4.36Å; C63-F67 HydrophobicContact CB-CZ 3.53Å
64E96.4Very high98.1Very high106 Ų10637.6 Ų37.650%0.49519%0.191SC..G310 helixtrans48.2-125.2180-58.3-176.3-171.100112.4G62 H66 F67 W142G62-E64 VanDerWaalsContact C-N 3.28Å; E64-H66 PolarHBondContact O-N 3.42Å; E64-H66 VanDerWaalsContact O-N 3.09Å; E64-F67 WeakPolarHBondContact O-CB 3.41Å; E64-F67 WeakPolarHBondContact O-CD2 3.37Å; E64-F67 PolarHBondContact O-N 3.37Å; E64-W142 VanDerWaalsContact C-NE1 3.25Å; E64-W142 VanDerWaalsContact CA-CZ2 3.46Å; E64-W142 HydrophobicContact CB-CH2 4.32Å; E64-W142 HydrophobicContact CB-CZ2 3.72Å; E64-W142 HydrophobicContact CG-CH2 4.19Å; E64-W142 HydrophobicContact CG-CZ2 4.02Å; E64-W142 PolarHBondContact O-NE1 2.93Å
65D97.2Very high98.1Very high70 Ų7040.6 Ų40.637%0.37421%0.205SC..G310 helixtrans-65.9-12.2-175.5-74.7-2.3000113.9C63 F67 H68 R141 W142C63-D65 PolarHBondContact O-N 2.86Å; D65-F67 PolarHBondContact O-N 3.14Å; D65-H68 VanDerWaalsContact O-CB 3.29Å; D65-H68 WeakPolarHBondContact O-CB 3.33Å; D65-H68 PolarHBondContact O-N 2.69Å; D65-R141 IonicContact OD1-CZ 3.44Å; D65-R141 IonicContact OD1-NE 3.49Å; D65-R141 PolarHBondContact OD1-NE 3.04Å; D65-R141 IonicContact OD1-NH2 2.6Å; D65-R141 PolarHBondContact OD1-NH2 3.05Å; D65-R141 IonicContact OD2-CZ 3.59Å; D65-R141 IonicContact OD2-NE 3.55Å; D65-R141 IonicContact OD2-NH2 3.11Å; D65-R141 PolarHBondContact OD2-NH2 2.94Å; D65-W142 PolarHBondContact OD1-NE1 2.96Å
66H98Very high98.1Very high74 Ų7440.6 Ų40.634%0.34320%0.204SC..G310 helixtrans-64.1-17.1168.6-69.9-76000112.5L27 C63 E64 H68 E69 T72L27-H66 HydrophobicContact CD1-CB 4.31Å; L27-H66 HydrophobicContact CD2-CB 4.05Å; C63-H66 HydrophobicContact CB-CB 4.17Å; C63-H66 WeakPolarHBondContact O-CB 3.47Å; C63-H66 PolarHBondContact O-CD2 3Å; C63-H66 PolarHBondContact O-N 2.99Å; C63-H66 VanDerWaalsContact O-N 3.08Å; E64-H66 PolarHBondContact O-N 3.42Å; E64-H66 VanDerWaalsContact O-N 3.09Å; H66-H68 PolarHBondContact O-N 2.9Å; H66-E69 IonicContact CE1-OE1 2.66Å; H66-E69 IonicContact CE1-OE2 3.49Å; H66-E69 IonicContact CG-OE2 2.82Å; H66-E69 IonicContact ND1-OE1 2.68Å; H66-E69 PolarHBondContact ND1-OE1 3.16Å; H66-E69 IonicContact ND1-OE2 2.95Å; H66-E69 PolarHBondContact ND1-OE2 3.07Å; H66-E69 WeakPolarHBondContact O-CB 3.44Å; H66-E69 PolarHBondContact O-N 2.97Å; H66-T72 WeakPolarHBondContact O-CB 3.41Å; H66-T72 PolarHBondContact O-OG1 3.18Å
67F98.2Very high98.1Very high3 Ų341.4 Ų41.41%0.01321%0.208CC..G310 helixtrans-68-9.4168.2-67-52.8000113.4L56 Y61 C63 E64 D65 E69 T72 Y73 P103 W142 F143L56-F67 HydrophobicContact CD1-CE1 4.47Å; L56-F67 HydrophobicContact CD1-CE2 4.26Å; L56-F67 HydrophobicContact CD1-CZ 3.75Å; Y61-F67 WeakPolarHBondContact O-CE2 3.13Å; C63-F67 HydrophobicContact CB-CD1 4.21Å; C63-F67 HydrophobicContact CB-CD2 4.14Å; C63-F67 HydrophobicContact CB-CE1 3.79Å; C63-F67 HydrophobicContact CB-CE2 3.73Å; C63-F67 HydrophobicContact CB-CG 4.36Å; C63-F67 HydrophobicContact CB-CZ 3.53Å; E64-F67 WeakPolarHBondContact O-CB 3.41Å; E64-F67 WeakPolarHBondContact O-CD2 3.37Å; E64-F67 PolarHBondContact O-N 3.37Å; D65-F67 PolarHBondContact O-N 3.14Å; F67-E69 VanDerWaalsContact C-N 3.33Å; F67-T72 HydrophobicContact CD1-CG2 3.86Å; F67-T72 HydrophobicContact CE1-CG2 4.12Å; F67-Y73 WeakPolarHBondContact O-CE2 3.22Å; F67-Y73 PolarHBondContact O-OH 3.41Å; F67-P103 HydrophobicContact CD1-CB 4.1Å; F67-P103 HydrophobicContact CD1-CG 4.1Å; F67-P103 HydrophobicContact CE1-CB 4.14Å; F67-P103 HydrophobicContact CE1-CG 3.94Å; F67-W142 HydrophobicContact CB-CB 3.73Å; F67-W142 HydrophobicContact CB-CG 4.11Å; F67-W142 HydrophobicContact CD2-CB 4.17Å; F67-W142 HydrophobicContact CD2-CD2 4.15Å; F67-W142 HydrophobicContact CD2-CE3 4.18Å; F67-W142 HydrophobicContact CD2-CG 4.14Å; F67-W142 HydrophobicContact CG-CB 4.36Å; F67-F143 HydrophobicContact CB-CZ 4.22Å; F67-F143 HydrophobicContact CD1-CE1 4.23Å; F67-F143 AromaticContact CD1-CZ 3.62Å; F67-F143 HydrophobicContact CD1-CZ 3.62Å; F67-F143 AromaticContact CD2-CE2 3.79Å; F67-F143 HydrophobicContact CD2-CE2 3.79Å; F67-F143 AromaticContact CD2-CZ 3.64Å; F67-F143 HydrophobicContact CD2-CZ 3.64Å; F67-F143 AromaticContact CE1-CZ 3.8Å; F67-F143 HydrophobicContact CE1-CZ 3.8Å; F67-F143 AromaticContact CE2-CE2 3.85Å; F67-F143 HydrophobicContact CE2-CE2 3.85Å; F67-F143 AromaticContact CE2-CZ 3.81Å; F67-F143 HydrophobicContact CE2-CZ 3.81Å; F67-F143 HydrophobicContact CG-CE1 4.25Å; F67-F143 HydrophobicContact CG-CE2 4.17Å; F67-F143 AromaticContact CG-CZ 3.56Å; F67-F143 HydrophobicContact CG-CZ 3.56Å; F67-F143 HydrophobicContact CZ-CE2 4.29Å; F67-F143 AromaticContact CZ-CZ 3.89Å; F67-F143 HydrophobicContact CZ-CZ 3.89Å
68H97.7Very high98.1Very high119 Ų11945.5 Ų45.555%0.55123%0.227SC*.G310 helixtrans-85.1-10.5169.5-69.2-151000112.1D65 H66 R141 W142D65-H68 VanDerWaalsContact O-CB 3.29Å; D65-H68 WeakPolarHBondContact O-CB 3.33Å; D65-H68 PolarHBondContact O-N 2.69Å; H66-H68 PolarHBondContact O-N 2.9Å; H68-R141 PolarHBondContact NE2-O 3.09Å; H68-W142 AromaticContact CD2-CD1 3.58Å; H68-W142 AromaticContact NE2-CD1 3.47Å
69E98.2Very high98.1Very high88 Ų8845.9 Ų45.941%0.41123%0.229SC..SBendtrans-90.6128.8179.7-58.7172.917700110.5H66 F67 D71 T72 Y73H66-E69 IonicContact CE1-OE1 2.66Å; H66-E69 IonicContact CE1-OE2 3.49Å; H66-E69 IonicContact CG-OE2 2.82Å; H66-E69 IonicContact ND1-OE1 2.68Å; H66-E69 PolarHBondContact ND1-OE1 3.16Å; H66-E69 IonicContact ND1-OE2 2.95Å; H66-E69 PolarHBondContact ND1-OE2 3.07Å; H66-E69 WeakPolarHBondContact O-CB 3.44Å; H66-E69 PolarHBondContact O-N 2.97Å; F67-E69 VanDerWaalsContact C-N 3.33Å; E69-D71 PolarHBondContact O-N 3.34Å; E69-T72 PolarHBondContact O-N 3.3Å; E69-Y73 WeakPolarHBondContact O-CD2 3.2Å
70L97.8Very high98.1Very high120 Ų12045.9 Ų45.963%0.62823%0.229SC*.Hα-helixtrans-60.1-27.9177.7-70.1176.6000112.7T72 Y73 T74 L105L70-T72 VanDerWaalsContact C-N 3.26Å; L70-T72 PolarHBondContact O-N 3.06Å; L70-Y73 PolarHBondContact O-N 2.66Å; L70-Y73 VanDerWaalsContact O-N 3.16Å; L70-T74 PolarHBondContact O-N 3.32Å; L70-T74 PolarHBondContact O-OG1 3.38Å; L70-T74 VanDerWaalsContact O-OG1 3.07Å; L70-L105 HydrophobicContact CD2-CD1 3.7Å
71D98.3Very high98.1Very high98 Ų9846.1 Ų46.152%0.52423%0.231SC..Hα-helixtrans-61.8-35.5-179.8-75.24.4000111.5E69 Y73 T74 H75E69-D71 PolarHBondContact O-N 3.34Å; D71-Y73 VanDerWaalsContact C-N 3.26Å; D71-Y73 PolarHBondContact O-N 3.05Å; D71-T74 PolarHBondContact O-N 3.11Å; D71-H75 WeakPolarHBondContact O-CB 3.31Å; D71-H75 PolarHBondContact O-CD2 2.93Å; D71-H75 PolarHBondContact O-N 2.88Å
72T98.6Very high98.1Very high2 Ų250.5 Ų50.51%0.01225%0.251CS..Hα-helixtrans-59-39.4176.8-58.50000111.8F29 H66 F67 E69 L70 S76 P103F29-T72 HydrophobicContact CZ-CG2 4.3Å; H66-T72 WeakPolarHBondContact O-CB 3.41Å; H66-T72 PolarHBondContact O-OG1 3.18Å; F67-T72 HydrophobicContact CD1-CG2 3.86Å; F67-T72 HydrophobicContact CE1-CG2 4.12Å; E69-T72 PolarHBondContact O-N 3.3Å; L70-T72 VanDerWaalsContact C-N 3.26Å; L70-T72 PolarHBondContact O-N 3.06Å; T72-S76 VanDerWaalsContact O-CB 3.28Å; T72-S76 WeakPolarHBondContact O-CB 3.45Å; T72-S76 PolarHBondContact O-N 2.89Å; T72-S76 VanDerWaalsContact O-N 3.12Å; T72-S76 PolarHBondContact O-OG 3.43Å; T72-P103 HydrophobicContact CG2-CG 4.11Å
73Y98.6Very high98.2Very high12 Ų1250 Ų505%0.04725%0.246CC..Hα-helixtrans-76.4-42.6177.6-56.1-91.1000111.4F67 E69 L70 D71 S76 W77 P103 L105 A110F67-Y73 WeakPolarHBondContact O-CE2 3.22Å; F67-Y73 PolarHBondContact O-OH 3.41Å; E69-Y73 WeakPolarHBondContact O-CD2 3.2Å; L70-Y73 PolarHBondContact O-N 2.66Å; L70-Y73 VanDerWaalsContact O-N 3.16Å; D71-Y73 VanDerWaalsContact C-N 3.26Å; D71-Y73 PolarHBondContact O-N 3.05Å; Y73-S76 PolarHBondContact O-N 3.35Å; Y73-W77 VanDerWaalsContact O-CD1 3.23Å; Y73-W77 PolarHBondContact O-N 3.07Å; Y73-P103 HydrophobicContact CD1-CB 3.98Å; Y73-P103 HydrophobicContact CD1-CG 4.24Å; Y73-P103 HydrophobicContact CE1-CB 3.65Å; Y73-P103 HydrophobicContact CE1-CG 4.31Å; Y73-L105 HydrophobicContact CD1-CB 4.39Å; Y73-L105 HydrophobicContact CD1-CD1 3.98Å; Y73-L105 HydrophobicContact CD1-CG 3.58Å; Y73-L105 HydrophobicContact CD2-CD1 3.7Å; Y73-L105 HydrophobicContact CD2-CG 4.13Å; Y73-L105 HydrophobicContact CE1-CD1 4.28Å; Y73-L105 HydrophobicContact CE1-CD2 4.08Å; Y73-L105 HydrophobicContact CE1-CG 3.62Å; Y73-L105 HydrophobicContact CE2-CD1 4.07Å; Y73-L105 HydrophobicContact CE2-CD2 4.47Å; Y73-L105 HydrophobicContact CE2-CG 4.2Å; Y73-L105 HydrophobicContact CG-CD1 3.65Å; Y73-L105 HydrophobicContact CG-CG 3.83Å; Y73-A110 HydrophobicContact CE1-CB 4.21Å; Y73-A110 WeakPolarHBondContact OH-CB 3.39Å
74T98.3Very high98.3Very high67 Ų6749.9 Ų49.941%0.41125%0.245SC..Hα-helixtrans-58.1-50.9177.7-59.40000111.1L70 D71 W77 Q78L70-T74 PolarHBondContact O-N 3.32Å; L70-T74 PolarHBondContact O-OG1 3.38Å; L70-T74 VanDerWaalsContact O-OG1 3.07Å; D71-T74 PolarHBondContact O-N 3.11Å; T74-W77 PolarHBondContact O-N 3.25Å; T74-Q78 WeakPolarHBondContact O-CG 3.44Å; T74-Q78 PolarHBondContact O-N 2.62Å
75H98.7Very high98.4Very high63 Ų6347.8 Ų47.829%0.29224%0.237SC..Hα-helixtrans-67.2-36.1178.6-67.9-48.6000112.2F29 D71 W77 Q78 C79F29-H75 HydrophobicContact CD1-CB 3.85Å; F29-H75 HydrophobicContact CD2-CB 3.56Å; F29-H75 HydrophobicContact CE1-CB 3.8Å; F29-H75 HydrophobicContact CE2-CB 3.51Å; F29-H75 AromaticContact CE2-CD2 3.89Å; F29-H75 AromaticContact CE2-CG 3.98Å; F29-H75 HydrophobicContact CG-CB 3.75Å; F29-H75 HydrophobicContact CZ-CB 3.65Å; D71-H75 WeakPolarHBondContact O-CB 3.31Å; D71-H75 PolarHBondContact O-CD2 2.93Å; D71-H75 PolarHBondContact O-N 2.88Å; H75-W77 VanDerWaalsContact C-N 3.31Å; H75-W77 PolarHBondContact O-N 3.25Å; H75-Q78 PolarHBondContact ND1-OE1 3.15Å; H75-Q78 WeakPolarHBondContact O-CB 3.37Å; H75-Q78 PolarHBondContact O-N 3.07Å; H75-C79 PolarHBondContact O-N 2.91Å; H75-C79 PolarHBondContact O-SG 3.18Å
76S98.8Very high98.4Very high0 Ų047 Ų470%023%0.231CC..Hα-helixtrans-60.3-41.8173.6-630000111.9T72 Y73 C79 I80T72-S76 VanDerWaalsContact O-CB 3.28Å; T72-S76 WeakPolarHBondContact O-CB 3.45Å; T72-S76 PolarHBondContact O-N 2.89Å; T72-S76 VanDerWaalsContact O-N 3.12Å; T72-S76 PolarHBondContact O-OG 3.43Å; Y73-S76 PolarHBondContact O-N 3.35Å; S76-C79 WeakPolarHBondContact O-CB 3.42Å; S76-C79 PolarHBondContact O-N 2.8Å; S76-I80 PolarHBondContact O-N 3.39Å
77W98.7Very high98.4Very high18 Ų1843.6 Ų43.67%0.06822%0.215CC..Hα-helixtrans-68.9-34.1174.9-77.9119.7000113.7Y73 T74 H75 C79 I80 A81 M102 V104 I125 F155 L157 P158 I160 V161Y73-W77 VanDerWaalsContact O-CD1 3.23Å; Y73-W77 PolarHBondContact O-N 3.07Å; T74-W77 PolarHBondContact O-N 3.25Å; H75-W77 VanDerWaalsContact C-N 3.31Å; H75-W77 PolarHBondContact O-N 3.25Å; W77-C79 VanDerWaalsContact C-N 3.29Å; W77-C79 PolarHBondContact O-N 2.88Å; W77-I80 HydrophobicContact CE3-CB 4.16Å; W77-I80 HydrophobicContact CE3-CG1 4.36Å; W77-I80 HydrophobicContact CE3-CG2 4.24Å; W77-I80 HydrophobicContact CZ3-CG2 4.24Å; W77-I80 PolarHBondContact O-N 3.01Å; W77-A81 WeakPolarHBondContact O-CB 3.36Å; W77-A81 PolarHBondContact O-N 3.43Å; W77-M102 HydrophobicContact CD2-CE 3.71Å; W77-M102 HydrophobicContact CE3-CE 4.15Å; W77-M102 HydrophobicContact CE3-SD 4.46Å; W77-M102 HydrophobicContact CG-CE 3.96Å; W77-M102 HydrophobicContact CZ2-CE 4.31Å; W77-V104 HydrophobicContact CZ2-CG1 4.17Å; W77-V104 HydrophobicContact CZ2-CG2 4.22Å; W77-I125 HydrophobicContact CH2-CD1 3.94Å; W77-F155 HydrophobicContact CH2-CE1 4.03Å; W77-F155 AromaticContact CZ2-CE1 3.69Å; W77-F155 HydrophobicContact CZ2-CE1 3.69Å; W77-F155 AromaticContact CZ2-CZ 3.83Å; W77-F155 HydrophobicContact CZ2-CZ 3.83Å; W77-L157 HydrophobicContact CH2-CD2 4.13Å; W77-L157 HydrophobicContact CZ3-CD2 4.36Å; W77-P158 HydrophobicContact CD2-CG 3.7Å; W77-P158 HydrophobicContact CE3-CG 4.32Å; W77-P158 HydrophobicContact CG-CG 3.83Å; W77-P158 HydrophobicContact CZ2-CG 4.13Å; W77-I160 HydrophobicContact CB-CG2 4.29Å; W77-V161 HydrophobicContact CD2-CG2 4.29Å; W77-V161 HydrophobicContact CE3-CG2 3.43Å; W77-V161 VanDerWaalsContact CE3-CG2 3.43Å; W77-V161 HydrophobicContact CZ3-CG2 3.88Å
78Q98.8Very high98.3Very high85 Ų8546.5 Ų46.540%0.39723%0.231SC..Hα-helixtrans-60.9-39.6170.6-69.9167.9-400111.5T74 H75 A81 K82 I160T74-Q78 WeakPolarHBondContact O-CG 3.44Å; T74-Q78 PolarHBondContact O-N 2.62Å; H75-Q78 PolarHBondContact ND1-OE1 3.15Å; H75-Q78 WeakPolarHBondContact O-CB 3.37Å; H75-Q78 PolarHBondContact O-N 3.07Å; Q78-A81 PolarHBondContact O-N 2.95Å; Q78-K82 PolarHBondContact O-N 3.11Å; Q78-I160 HydrophobicContact CB-CD1 4.21Å; Q78-I160 HydrophobicContact CG-CD1 3.55Å
79C98.8Very high98.2Very high9 Ų948.4 Ų48.46%0.06124%0.24CC..Hα-helixtrans-64-45.5175.5-63.10000111.8T33 I58 H75 S76 W77 A81 K82 I83T33-C79 VanDerWaalsContact OG1-CB 3.22Å; T33-C79 WeakPolarHBondContact OG1-CB 3.43Å; T33-C79 PolarHBondContact OG1-SG 2.76Å; I58-C79 HydrophobicContact CD1-CB 4.15Å; I58-C79 HydrophobicContact CG2-CB 3.66Å; H75-C79 PolarHBondContact O-N 2.91Å; H75-C79 PolarHBondContact O-SG 3.18Å; S76-C79 WeakPolarHBondContact O-CB 3.42Å; S76-C79 PolarHBondContact O-N 2.8Å; W77-C79 VanDerWaalsContact C-N 3.29Å; W77-C79 PolarHBondContact O-N 2.88Å; C79-A81 VanDerWaalsContact C-N 3.34Å; C79-A81 PolarHBondContact O-N 3.01Å; C79-K82 WeakPolarHBondContact O-CB 3.35Å; C79-K82 PolarHBondContact O-N 2.91Å; C79-I83 VanDerWaalsContact O-CG1 3.32Å; C79-I83 WeakPolarHBondContact O-CG1 3.28Å; C79-I83 PolarHBondContact O-N 2.93Å
80I98.8Very high98.1Very high0 Ų046 Ų460%023%0.23CC..Hα-helixtrans-60.9-42.5174.9-67-58.9000111.5S76 W77 K82 I83 L84 I100 M102 I115 L117 V161S76-I80 PolarHBondContact O-N 3.39Å; W77-I80 HydrophobicContact CE3-CB 4.16Å; W77-I80 HydrophobicContact CE3-CG1 4.36Å; W77-I80 HydrophobicContact CE3-CG2 4.24Å; W77-I80 HydrophobicContact CZ3-CG2 4.24Å; W77-I80 PolarHBondContact O-N 3.01Å; I80-K82 VanDerWaalsContact C-N 3.31Å; I80-K82 PolarHBondContact O-N 2.82Å; I80-I83 PolarHBondContact O-N 3.45Å; I80-L84 HydrophobicContact CG2-CD1 3.91Å; I80-L84 HydrophobicContact CG2-CG 4.4Å; I80-L84 WeakPolarHBondContact O-CB 3.38Å; I80-L84 WeakPolarHBondContact O-CG 3.41Å; I80-L84 PolarHBondContact O-N 2.98Å; I80-I100 HydrophobicContact CD1-CD1 4.46Å; I80-I100 HydrophobicContact CD1-CG2 4.04Å; I80-M102 HydrophobicContact CD1-SD 3.99Å; I80-M102 HydrophobicContact CG1-SD 3.35Å; I80-M102 WeakPolarHBondContact CG1-SD 3.43Å; I80-I115 HydrophobicContact CD1-CB 4.44Å; I80-I115 HydrophobicContact CD1-CG2 4.48Å; I80-L117 HydrophobicContact CG2-CD1 4.45Å; I80-L117 HydrophobicContact CG2-CD2 4.49Å; I80-V161 HydrophobicContact CG2-CG2 4.39Å
81A98.6Very high97.9Very high5 Ų546 Ų464%0.04124%0.235CC..Hα-helixtrans-61.3-41176.800000111.8W77 Q78 C79 L84 N85 I160 V164W77-A81 WeakPolarHBondContact O-CB 3.36Å; W77-A81 PolarHBondContact O-N 3.43Å; Q78-A81 PolarHBondContact O-N 2.95Å; C79-A81 VanDerWaalsContact C-N 3.34Å; C79-A81 PolarHBondContact O-N 3.01Å; A81-L84 PolarHBondContact O-N 3.43Å; A81-N85 PolarHBondContact O-N 2.86Å; A81-I160 HydrophobicContact CB-CD1 4.34Å; A81-I160 HydrophobicContact CB-CG1 3.87Å; A81-V164 HydrophobicContact CB-CG2 4Å
82K98.5Very high97.8Very high108 Ų10844.4 Ų44.447%0.4722%0.224SC..Hα-helixtrans-62.3-44.5173.8-177.1175.2178.6179.80112.2T33 Q78 C79 I80 L84 N85 E86T33-K82 HydrophobicContact CG2-CD 4.05Å; T33-K82 HydrophobicContact CG2-CG 4.45Å; Q78-K82 PolarHBondContact O-N 3.11Å; C79-K82 WeakPolarHBondContact O-CB 3.35Å; C79-K82 PolarHBondContact O-N 2.91Å; I80-K82 VanDerWaalsContact C-N 3.31Å; I80-K82 PolarHBondContact O-N 2.82Å; K82-L84 VanDerWaalsContact C-N 3.34Å; K82-L84 PolarHBondContact O-N 3.18Å; K82-N85 PolarHBondContact O-N 3.2Å; K82-E86 PolarHBondContact O-N 2.98Å
83I98.7Very high97.8Very high0 Ų044.3 Ų44.30%022%0.223CC..Hα-helixtrans-64-39.7177.9-68.5165.4000111T33 V36 I37 I58 C79 I80 E86 I87 M93 I100 L117T33-I83 HydrophobicContact CG2-CD1 4.15Å; T33-I83 HydrophobicContact CG2-CG1 3.87Å; V36-I83 HydrophobicContact CB-CD1 4.43Å; V36-I83 HydrophobicContact CG1-CD1 3.88Å; I37-I83 HydrophobicContact CD1-CG1 4.37Å; I37-I83 HydrophobicContact CG1-CG1 4.06Å; I58-I83 HydrophobicContact CD1-CD1 3.73Å; C79-I83 VanDerWaalsContact O-CG1 3.32Å; C79-I83 WeakPolarHBondContact O-CG1 3.28Å; C79-I83 PolarHBondContact O-N 2.93Å; I80-I83 PolarHBondContact O-N 3.45Å; I83-E86 PolarHBondContact O-N 3.32Å; I83-I87 HydrophobicContact CG2-CD1 3.93Å; I83-I87 HydrophobicContact CG2-CG1 4.42Å; I83-I87 VanDerWaalsContact O-CG1 3.27Å; I83-I87 WeakPolarHBondContact O-CG1 3.29Å; I83-I87 PolarHBondContact O-N 2.82Å; I83-M93 HydrophobicContact CG2-CE 4.21Å; I83-I100 HydrophobicContact CD1-CD1 4.07Å; I83-I100 HydrophobicContact CG2-CD1 4.05Å; I83-L117 HydrophobicContact CG2-CD1 3.89Å
84L98.4Very high97.6Very high0 Ų045.4 Ų45.40%023%0.229CC..Hα-helixtrans-63.5-42.4175.6-79166.5000112.5I80 A81 K82 I87 N88 L117 V122 V161 V164 T165I80-L84 HydrophobicContact CG2-CD1 3.91Å; I80-L84 HydrophobicContact CG2-CG 4.4Å; I80-L84 WeakPolarHBondContact O-CB 3.38Å; I80-L84 WeakPolarHBondContact O-CG 3.41Å; I80-L84 PolarHBondContact O-N 2.98Å; A81-L84 PolarHBondContact O-N 3.43Å; K82-L84 VanDerWaalsContact C-N 3.34Å; K82-L84 PolarHBondContact O-N 3.18Å; L84-I87 WeakPolarHBondContact O-CB 3.28Å; L84-I87 PolarHBondContact O-N 2.79Å; L84-N88 PolarHBondContact O-N 2.9Å; L84-N88 PolarHBondContact O-ND2 2.79Å; L84-L117 HydrophobicContact CD2-CD1 4.24Å; L84-L117 HydrophobicContact CD2-CD2 4.18Å; L84-L117 HydrophobicContact CG-CD1 4.24Å; L84-V122 HydrophobicContact CD1-CG2 4.33Å; L84-V161 HydrophobicContact CD1-CG1 3.76Å; L84-V164 HydrophobicContact CB-CG2 3.84Å; L84-V164 HydrophobicContact CD1-CG2 3.99Å; L84-T165 HydrophobicContact CD1-CG2 3.81Å
85N97.8Very high97.3Very high63 Ų6343.5 Ų43.534%0.33722%0.217SC..Hα-helixtrans-59.7-47.5172.7-79.9-19.7000111.5A81 K82 I87 N88 E89 V164A81-N85 PolarHBondContact O-N 2.86Å; K82-N85 PolarHBondContact O-N 3.2Å; N85-I87 VanDerWaalsContact C-N 3.31Å; N85-I87 PolarHBondContact O-N 2.74Å; N85-N88 WeakPolarHBondContact O-CB 3.41Å; N85-N88 PolarHBondContact O-N 3.41Å; N85-N88 VanDerWaalsContact O-N 3.1Å; N85-E89 WeakPolarHBondContact O-CG 3.34Å; N85-E89 PolarHBondContact O-N 3.09Å; N85-V164 VanDerWaalsContact OD1-CB 3.23Å; N85-V164 WeakPolarHBondContact OD1-CB 3.48Å; N85-V164 WeakPolarHBondContact OD1-CG1 3.49Å
86E98Very high97.2Very high54 Ų5440.5 Ų40.525%0.25220%0.203SC..Hα-helixtrans-60.6-39.4175.7-74.3-82.5162.500112.2I37 K41 K82 I83 E89 N90 M93I37-E86 HydrophobicContact CD1-CG 3.96Å; K41-E86 IonicContact NZ-OE2 2.76Å; K41-E86 PolarHBondContact NZ-OE2 2.98Å; K82-E86 PolarHBondContact O-N 2.98Å; I83-E86 PolarHBondContact O-N 3.32Å; E86-E89 PolarHBondContact O-N 2.67Å; E86-N90 WeakPolarHBondContact O-CA 3.47Å; E86-N90 WeakPolarHBondContact O-CB 3.29Å; E86-N90 PolarHBondContact O-N 2.84Å; E86-M93 HydrophobicContact CB-CE 4.39Å; E86-M93 HydrophobicContact CB-SD 3.77Å
87I97.5Very high97.1Very high1 Ų140.5 Ų40.51%0.00520%0.203CC..Hα-helixtrans-58.3-50.5172.5-71.2164.3000109.6I83 L84 N85 E89 M93 Q94 L117I83-I87 HydrophobicContact CG2-CD1 3.93Å; I83-I87 HydrophobicContact CG2-CG1 4.42Å; I83-I87 VanDerWaalsContact O-CG1 3.27Å; I83-I87 WeakPolarHBondContact O-CG1 3.29Å; I83-I87 PolarHBondContact O-N 2.82Å; L84-I87 WeakPolarHBondContact O-CB 3.28Å; L84-I87 PolarHBondContact O-N 2.79Å; N85-I87 VanDerWaalsContact C-N 3.31Å; N85-I87 PolarHBondContact O-N 2.74Å; I87-E89 VanDerWaalsContact C-N 3.34Å; I87-E89 PolarHBondContact O-N 3.06Å; I87-M93 HydrophobicContact CB-CB 4.43Å; I87-M93 HydrophobicContact CG1-CB 4Å; I87-M93 HydrophobicContact CG1-CE 3.82Å; I87-Q94 PolarHBondContact O-NE2 2.88Å; I87-L117 HydrophobicContact CD1-CB 3.99Å; I87-L117 HydrophobicContact CD1-CD1 4.04Å
88N96.1Very high97.1Very high64 Ų6439.7 Ų39.734%0.34220%0.199SC..Hα-helixtrans-62.1-38.2-177.1-69.6-27.3000113.2L84 N85 G120 V164L84-N88 PolarHBondContact O-N 2.9Å; L84-N88 PolarHBondContact O-ND2 2.79Å; N85-N88 WeakPolarHBondContact O-CB 3.41Å; N85-N88 PolarHBondContact O-N 3.41Å; N85-N88 VanDerWaalsContact O-N 3.1Å; N88-G120 WeakPolarHBondContact OD1-CA 3.34Å; N88-V164 PolarHBondContact ND2-O 3.23Å
89E96Very high97.1Very high160 Ų16035.6 Ų35.675%0.74818%0.181SC*.Hα-helixtrans-91.2-25.7-173.9-66.7176.9176.100113.3N85 E86 I87N85-E89 WeakPolarHBondContact O-CG 3.34Å; N85-E89 PolarHBondContact O-N 3.09Å; E86-E89 PolarHBondContact O-N 2.67Å; I87-E89 VanDerWaalsContact C-N 3.34Å; I87-E89 PolarHBondContact O-N 3.06Å
90N96.2Very high97.1Very high38 Ų3835.2 Ų35.220%0.20318%0.178CC..  trans-111.7115.7-172.2-161.6-38.8000112.7K41 E86 E92 M93 Q94K41-N90 VanDerWaalsContact CE-ND2 3.27Å; K41-N90 WeakPolarHBondContact CE-ND2 3.44Å; K41-N90 PolarHBondContact NZ-ND2 3.15Å; E86-N90 WeakPolarHBondContact O-CA 3.47Å; E86-N90 WeakPolarHBondContact O-CB 3.29Å; E86-N90 PolarHBondContact O-N 2.84Å; N90-E92 PolarHBondContact O-N 2.66Å; N90-E92 VanDerWaalsContact O-N 3.16Å; N90-E92 VanDerWaalsContact OD1-CB 3.29Å; N90-E92 WeakPolarHBondContact OD1-CB 3.39Å; N90-E92 PolarHBondContact OD1-N 2.89Å; N90-M93 PolarHBondContact O-N 3.03Å; N90-Q94 PolarHBondContact O-N 3.37Å
91V94.8Very high97.1Very high118 Ų11835.2 Ų35.272%0.71518%0.178SC*.G310 helixtrans-59.2-26.7177.169.10000113.3M93 Q94V91-M93 PolarHBondContact O-N 2.96Å; V91-Q94 PolarHBondContact O-N 2.92Å
92E96Very high97.1Very high65 Ų6535 Ų3530%0.30418%0.176SC..G310 helixtrans-71-4.9174.6-60.4-170.7106.700113.3K41 K44 R45 N90K41-E92 HydrophobicContact CB-CB 4.34Å; K41-E92 HydrophobicContact CG-CB 4.08Å; K44-E92 WeakPolarHBondContact CB-O 3.24Å; K44-E92 VanDerWaalsContact CG-O 3.24Å; K44-E92 WeakPolarHBondContact CG-O 3.32Å; R45-E92 WeakPolarHBondContact CD-OE1 3.47Å; R45-E92 WeakPolarHBondContact CG-OE1 3.46Å; R45-E92 IonicContact CZ-OE1 3.5Å; R45-E92 IonicContact NE-OE1 2.79Å; R45-E92 IonicContact NH1-OE1 3.67Å; R45-E92 PolarHBondContact NH1-OE1 3.28Å; R45-E92 IonicContact NH1-OE2 3.07Å; R45-E92 PolarHBondContact NH1-OE2 3.32Å; N90-E92 PolarHBondContact O-N 2.66Å; N90-E92 VanDerWaalsContact O-N 3.16Å; N90-E92 VanDerWaalsContact OD1-CB 3.29Å; N90-E92 WeakPolarHBondContact OD1-CB 3.39Å; N90-E92 PolarHBondContact OD1-N 2.89Å
93M97.4Very high97.1Very high0 Ų029.9 Ų29.90%015%0.154CC..G310 helixtrans-119.91.2175.6-64.5-173.570.700112.9I37 V40 K41 I83 E86 I87 N90 V91I37-M93 HydrophobicContact CG1-CE 4.31Å; I37-M93 HydrophobicContact CG2-CE 4.47Å; I37-M93 HydrophobicContact CG2-SD 3.9Å; V40-M93 HydrophobicContact CB-CE 3.91Å; V40-M93 HydrophobicContact CB-CG 4.49Å; V40-M93 HydrophobicContact CG1-CB 4.17Å; V40-M93 HydrophobicContact CG1-CE 3.76Å; V40-M93 HydrophobicContact CG1-CG 3.83Å; V40-M93 HydrophobicContact CG2-CE 4.29Å; K41-M93 VanDerWaalsContact CE-SD 3.59Å; K41-M93 HydrophobicContact CG-CG 3.68Å; K41-M93 HydrophobicContact CG-SD 4.13Å; I83-M93 HydrophobicContact CG2-CE 4.21Å; E86-M93 HydrophobicContact CB-CE 4.39Å; E86-M93 HydrophobicContact CB-SD 3.77Å; I87-M93 HydrophobicContact CB-CB 4.43Å; I87-M93 HydrophobicContact CG1-CB 4Å; I87-M93 HydrophobicContact CG1-CE 3.82Å; N90-M93 PolarHBondContact O-N 3.03Å; V91-M93 PolarHBondContact O-N 2.96Å
94Q94.2Very high97.1Very high35 Ų3529.9 Ų29.916%0.16415%0.154CC..SBendtrans-82.9155.7172.4-70.8-72.5-2100111K44 I87 N90 V91 I96 N119K44-Q94 WeakPolarHBondContact CD-O 3.33Å; K44-Q94 WeakPolarHBondContact CE-O 3.45Å; K44-Q94 PolarHBondContact NZ-O 3.4Å; I87-Q94 PolarHBondContact O-NE2 2.88Å; N90-Q94 PolarHBondContact O-N 3.37Å; V91-Q94 PolarHBondContact O-N 2.92Å; Q94-I96 VanDerWaalsContact C-N 3.27Å; Q94-I96 PolarHBondContact O-N 3.19Å; Q94-N119 PolarHBondContact OE1-OD1 2.97Å; Q94-N119 VanDerWaalsContact OE1-OD1 3.09Å
95D93.2Very high97.1Very high28 Ų2832.3 Ų32.315%0.1517%0.167CC..SBendtrans47.444.5179.1-65.8-47.3000114.9K44 N119 F340 L341K44-D95 PolarHBondContact NZ-O 2.97Å; D95-N119 WeakPolarHBondContact CA-OD1 3.49Å; D95-N119 PolarHBondContact N-OD1 2.77Å; D95-N119 PolarHBondContact OD1-ND2 2.92Å; D95-F340 VanDerWaalsContact C-CE1 3.44Å; D95-F340 HydrophobicContact CB-CD1 3.77Å; D95-F340 HydrophobicContact CB-CE1 4.36Å; D95-F340 WeakPolarHBondContact O-CE1 3.46Å; D95-L341 PolarHBondContact OD1-N 2.94Å
96I95.3Very high97.1Very high0 Ų031.2 Ų31.20%016%0.16CC..SBendtrans-141.6132168.5-177.1167.7000108.1V40 A43 K44 A48 R51 Q94 C98 L118V40-I96 HydrophobicContact CG1-CG2 3.95Å; A43-I96 HydrophobicContact CB-CD1 3.7Å; K44-I96 HydrophobicContact CB-CD1 4.3Å; K44-I96 HydrophobicContact CD-CB 4.09Å; K44-I96 HydrophobicContact CD-CG2 4.17Å; A48-I96 HydrophobicContact CB-CD1 4.43Å; R51-I96 HydrophobicContact CB-CD1 3.97Å; R51-I96 HydrophobicContact CB-CG1 4.36Å; Q94-I96 VanDerWaalsContact C-N 3.27Å; Q94-I96 PolarHBondContact O-N 3.19Å; I96-C98 PolarHBondContact O-N 3.13Å; I96-L118 WeakPolarHBondContact O-CD1 3.22Å
97V97.4Very high96.9Very high0 Ų032.6 Ų32.60%019%0.19CC..EExtended strand (participates in β ladder)trans-74.9124.7172.7-178.10000108.3K49 Y50 R51 L116 L117 L118 F181 V338 F340K49-V97 PolarHBondContact O-N 2.95Å; Y50-V97 HydrophobicContact CD2-CB 3.81Å; Y50-V97 HydrophobicContact CD2-CG1 4.03Å; Y50-V97 HydrophobicContact CD2-CG2 4.33Å; Y50-V97 HydrophobicContact CE2-CB 4Å; Y50-V97 HydrophobicContact CE2-CG1 3.67Å; Y50-V97 HydrophobicContact CG-CB 4.29Å; R51-V97 PolarHBondContact N-O 2.86Å; V97-L116 HydrophobicContact CG1-CD2 4.45Å; V97-L117 WeakPolarHBondContact CA-O 3.16Å; V97-L118 HydrophobicContact CG2-CD1 4.31Å; V97-L118 HydrophobicContact CG2-CD2 4.39Å; V97-F181 HydrophobicContact CG2-CE1 4.22Å; V97-F181 HydrophobicContact CG2-CZ 3.78Å; V97-V338 HydrophobicContact CG2-CG1 3.63Å; V97-F340 HydrophobicContact CG2-CZ 4.27Å
98C98.6Very high96.8Very high0 Ų035.9 Ų35.90%022%0.224CC..EExtended strand (participates in β ladder)trans-101.9112175-54.10000108.6V40 I96 I100 L116 L117V40-C98 VanDerWaalsContact CG1-SG 3.52Å; V40-C98 HydrophobicContact CG2-CB 4.32Å; I96-C98 PolarHBondContact O-N 3.13Å; C98-I100 HydrophobicContact CB-CD1 4.06Å; C98-I100 HydrophobicContact CB-CG1 4.31Å; C98-L116 WeakPolarHBondContact O-CA 3.43Å; C98-L117 HydrophobicContact CB-CB 4.23Å; C98-L117 PolarHBondContact N-O 3.06Å; C98-L117 PolarHBondContact O-N 3.46Å
99D98.8Very high96.9Very high0 Ų035.3 Ų35.30%022%0.222CC..EExtended strand (participates in β ladder)trans-101.1115.9173.9-173.5-34.6000109.6Y50 R51 G53 R114 L116Y50-D99 HydrophobicContact CE1-CB 3.58Å; Y50-D99 PolarHBondContact OH-OD2 2.86Å; R51-D99 PolarHBondContact NH1-O 3.02Å; R51-D99 WeakPolarHBondContact O-CB 3.21Å; R51-D99 PolarHBondContact O-N 3.35Å; G53-D99 PolarHBondContact N-O 3.09Å; G53-D99 VanDerWaalsContact N-O 3.14Å; D99-R114 VanDerWaalsContact CG-NE 3.34Å; D99-R114 IonicContact OD1-CZ 3.36Å; D99-R114 IonicContact OD1-NE 2.93Å; D99-R114 PolarHBondContact OD1-NE 3.24Å; D99-R114 IonicContact OD1-NH2 2.81Å; D99-R114 PolarHBondContact OD1-NH2 3.47Å; D99-R114 IonicContact OD2-CZ 3.9Å; D99-R114 IonicContact OD2-NE 3.41Å; D99-R114 PolarHBondContact OD2-NE 2.77Å; D99-R114 IonicContact OD2-NH2 3.31Å; D99-R114 PolarHBondContact OD2-NH2 2.81Å; D99-L116 HydrophobicContact CB-CG 4.38Å
100I98.9Very high97Very high0 Ų028.3 Ų28.30%019%0.192CC..EExtended strand (participates in β ladder)trans-129.8129-165.2-61.1171.1000111V36 E57 I58 I80 I83 C98 R114 I115 L117V36-I100 HydrophobicContact CG1-CD1 3.96Å; V36-I100 HydrophobicContact CG1-CG1 4.16Å; E57-I100 HydrophobicContact CG-CG2 4.19Å; E57-I100 WeakPolarHBondContact OE1-CA 3.34Å; E57-I100 WeakPolarHBondContact OE1-CG2 3.35Å; I58-I100 HydrophobicContact CD1-CG2 3.76Å; I58-I100 HydrophobicContact CG1-CG2 3.45Å; I58-I100 VanDerWaalsContact CG1-CG2 3.45Å; I80-I100 HydrophobicContact CD1-CD1 4.46Å; I80-I100 HydrophobicContact CD1-CG2 4.04Å; I83-I100 HydrophobicContact CD1-CD1 4.07Å; I83-I100 HydrophobicContact CG2-CD1 4.05Å; C98-I100 HydrophobicContact CB-CD1 4.06Å; C98-I100 HydrophobicContact CB-CG1 4.31Å; I100-R114 CarbonylContact O-C 3.59Å; I100-R114 WeakPolarHBondContact O-CA 3.35Å; I100-I115 PolarHBondContact N-O 3.12Å; I100-I115 PolarHBondContact O-N 2.83Å; I100-L117 HydrophobicContact CD1-CD1 3.89Å
101G98.9Very high97.1Very high1 Ų127.4 Ų27.41%0.0119%0.186CC..EExtended strand (participates in β ladder)trans-84.3130.8176.800000113.7L56 E57 I58 C113L56-G101 CarbonylContact C-O 3.56Å; L56-G101 VanDerWaalsContact C-O 3.27Å; E57-G101 PolarHBondContact N-O 3.45Å; E57-G101 VanDerWaalsContact N-O 3.13Å; I58-G101 WeakPolarHBondContact CG1-O 3.37Å; I58-G101 PolarHBondContact N-O 3.45Å; G101-C113 WeakPolarHBondContact CA-O 3.17Å
102M98.8Very high97.3Very high0 Ų021.9 Ų21.90%015%0.152CC..EExtended strand (participates in β ladder)trans-157.7160169.371.8173.7-92.800112L56 I58 W77 I80 V104 C113 I115L56-M102 VanDerWaalsContact CD2-C 3.44Å; I58-M102 HydrophobicContact CB-CB 3.98Å; I58-M102 HydrophobicContact CG1-CB 4.2Å; W77-M102 HydrophobicContact CD2-CE 3.71Å; W77-M102 HydrophobicContact CE3-CE 4.15Å; W77-M102 HydrophobicContact CE3-SD 4.46Å; W77-M102 HydrophobicContact CG-CE 3.96Å; W77-M102 HydrophobicContact CZ2-CE 4.31Å; I80-M102 HydrophobicContact CD1-SD 3.99Å; I80-M102 HydrophobicContact CG1-SD 3.35Å; I80-M102 WeakPolarHBondContact CG1-SD 3.43Å; M102-V104 HydrophobicContact CE-CG2 4.12Å; M102-V104 HydrophobicContact CG-CG2 4.2Å; M102-C113 PolarHBondContact N-O 2.82Å; M102-C113 CarbonylContact O-C 3.53Å; M102-C113 WeakPolarHBondContact O-CA 3.42Å; M102-C113 WeakPolarHBondContact O-CB 3.16Å; M102-C113 PolarHBondContact O-N 2.82Å; M102-I115 HydrophobicContact CG-CD1 4.04Å; M102-I115 HydrophobicContact CG-CG1 3.52Å; M102-I115 HydrophobicContact SD-CD1 4.31Å; M102-I115 HydrophobicContact SD-CG1 3.77Å
103P98.8Very high97.4Very high0 Ų018.8 Ų18.80%014%0.138CC..EExtended strand (participates in β ladder)trans-75.9143.6171.234.3-37.2000111.1L56 F67 T72 Y73 Y111 F143L56-P103 HydrophobicContact CD2-CB 4.35Å; F67-P103 HydrophobicContact CD1-CB 4.1Å; F67-P103 HydrophobicContact CD1-CG 4.1Å; F67-P103 HydrophobicContact CE1-CB 4.14Å; F67-P103 HydrophobicContact CE1-CG 3.94Å; T72-P103 HydrophobicContact CG2-CG 4.11Å; Y73-P103 HydrophobicContact CD1-CB 3.98Å; Y73-P103 HydrophobicContact CD1-CG 4.24Å; Y73-P103 HydrophobicContact CE1-CB 3.65Å; Y73-P103 HydrophobicContact CE1-CG 4.31Å; P103-Y111 CarbonylContact C-O 3.55Å; P103-Y111 WeakPolarHBondContact CA-O 3.31Å; P103-F143 HydrophobicContact CB-CE1 3.76Å; P103-F143 HydrophobicContact CB-CZ 4.1Å
104V98.8Very high97.5Very high0 Ų018.8 Ų18.80%014%0.138CC..EExtended strand (participates in β ladder)trans-133.1135.7178.4176.50000110.4W77 M102 Y111 C113 I115 I125 F155 F174W77-V104 HydrophobicContact CZ2-CG1 4.17Å; W77-V104 HydrophobicContact CZ2-CG2 4.22Å; M102-V104 HydrophobicContact CE-CG2 4.12Å; M102-V104 HydrophobicContact CG-CG2 4.2Å; V104-Y111 PolarHBondContact N-O 3.24Å; V104-Y111 PolarHBondContact O-N 3.27Å; V104-C113 HydrophobicContact CB-CB 4.19Å; V104-C113 HydrophobicContact CG2-CB 3.69Å; V104-I115 HydrophobicContact CG2-CD1 3.81Å; V104-I125 HydrophobicContact CG2-CG2 4.16Å; V104-F155 HydrophobicContact CG1-CD2 4.47Å; V104-F155 HydrophobicContact CG1-CE2 3.48Å; V104-F155 VanDerWaalsContact CG1-CE2 3.48Å; V104-F155 HydrophobicContact CG1-CZ 3.55Å; V104-F174 HydrophobicContact CG1-CE2 4.2Å
105L98.1Very high97.7Very high51 Ų5117.1 Ų17.127%0.26713%0.13SC..EExtended strand (participates in β ladder)trans-92.8128.3168.5-74.4166000110.3L70 Y73 V109 A110 F155L70-L105 HydrophobicContact CD2-CD1 3.7Å; Y73-L105 HydrophobicContact CD1-CB 4.39Å; Y73-L105 HydrophobicContact CD1-CD1 3.98Å; Y73-L105 HydrophobicContact CD1-CG 3.58Å; Y73-L105 HydrophobicContact CD2-CD1 3.7Å; Y73-L105 HydrophobicContact CD2-CG 4.13Å; Y73-L105 HydrophobicContact CE1-CD1 4.28Å; Y73-L105 HydrophobicContact CE1-CD2 4.08Å; Y73-L105 HydrophobicContact CE1-CG 3.62Å; Y73-L105 HydrophobicContact CE2-CD1 4.07Å; Y73-L105 HydrophobicContact CE2-CD2 4.47Å; Y73-L105 HydrophobicContact CE2-CG 4.2Å; Y73-L105 HydrophobicContact CG-CD1 3.65Å; Y73-L105 HydrophobicContact CG-CG 3.83Å; L105-V109 WeakPolarHBondContact CA-O 3.44Å; L105-A110 HydrophobicContact CD2-CB 4Å; L105-F155 WeakPolarHBondContact O-CE2 3.26Å
106L97.5Very high98Very high40 Ų4015.8 Ų15.821%0.20912%0.123CC..EExtended strand (participates in β ladder)trans-127.5117169.4166.168.6000108.2G108 V109 Y111 W146 I153 F155 F174L106-G108 PolarHBondContact O-N 3.02Å; L106-V109 PolarHBondContact N-O 3.14Å; L106-V109 WeakPolarHBondContact O-CB 3.36Å; L106-V109 PolarHBondContact O-N 2.81Å; L106-Y111 HydrophobicContact CB-CD2 4.15Å; L106-Y111 HydrophobicContact CB-CE2 3.86Å; L106-Y111 HydrophobicContact CD2-CE2 4.22Å; L106-Y111 HydrophobicContact CG-CE2 4.47Å; L106-W146 HydrophobicContact CD2-CZ3 3.97Å; L106-I153 HydrophobicContact CD1-CD1 4.42Å; L106-I153 HydrophobicContact CD2-CD1 3.74Å; L106-F155 HydrophobicContact CB-CD2 4.34Å; L106-F155 HydrophobicContact CB-CE2 4.08Å; L106-F155 HydrophobicContact CD1-CD2 3.95Å; L106-F155 HydrophobicContact CD1-CE2 4.29Å; L106-F174 HydrophobicContact CB-CE2 4.49Å; L106-F174 HydrophobicContact CB-CZ 4.35Å; L106-F174 HydrophobicContact CD2-CD1 3.87Å; L106-F174 HydrophobicContact CD2-CE1 3.53Å; L106-F174 HydrophobicContact CD2-CE2 4.42Å; L106-F174 HydrophobicContact CD2-CG 4.47Å; L106-F174 HydrophobicContact CD2-CZ 3.85Å
107G93.8Very high98.1Very high84 Ų8415.8 Ų15.887%0.86612%0.123SC*.THydrogen-bonded Turntrans58.529.2179.600000114.1V109G107-V109 VanDerWaalsContact C-N 3.3Å
108G94.5Very high98.1Very high70 Ų7016 Ų1672%0.72212%0.124SC*.THydrogen-bonded Turntrans82.40.4-175.100000115L106L106-G108 PolarHBondContact O-N 3.02Å
109V97.8Very high97.9Very high51 Ų5116.4 Ų16.431%0.30913%0.126SC..EExtended strand (participates in β ladder)trans-98.5129.5176.3-175.30000109.8L105 L106 G107 Y111 T144L105-V109 WeakPolarHBondContact CA-O 3.44Å; L106-V109 PolarHBondContact N-O 3.14Å; L106-V109 WeakPolarHBondContact O-CB 3.36Å; L106-V109 PolarHBondContact O-N 2.81Å; G107-V109 VanDerWaalsContact C-N 3.3Å; V109-Y111 HydrophobicContact CB-CE2 3.7Å; V109-Y111 HydrophobicContact CG1-CD2 4.37Å; V109-Y111 HydrophobicContact CG1-CE1 4.18Å; V109-Y111 HydrophobicContact CG1-CE2 3.62Å; V109-Y111 WeakPolarHBondContact CG1-OH 3.26Å; V109-Y111 VanDerWaalsContact O-CD2 3.32Å; V109-Y111 WeakPolarHBondContact O-CD2 3.49Å; V109-Y111 WeakPolarHBondContact O-CE2 3.44Å; V109-T144 VanDerWaalsContact CG1-CB 3.5Å; V109-T144 HydrophobicContact CG1-CG2 4.04Å; V109-T144 WeakPolarHBondContact CG1-OG1 3.37Å
110A98.5Very high97.8Very high13 Ų1316.4 Ų16.411%0.10713%0.126CC..EExtended strand (participates in β ladder)trans-86.7132.2179.300000111.7Y73 L105 W142 F143 T144Y73-A110 HydrophobicContact CE1-CB 4.21Å; Y73-A110 WeakPolarHBondContact OH-CB 3.39Å; L105-A110 HydrophobicContact CD2-CB 4Å; A110-W142 VanDerWaalsContact CB-O 3.3Å; A110-W142 WeakPolarHBondContact CB-O 3.29Å; A110-F143 HydrophobicContact CB-CD1 4.01Å; A110-F143 CarbonylContact O-C 3.3Å; A110-F143 WeakPolarHBondContact O-CA 3.31Å; A110-T144 PolarHBondContact O-N 3Å
111Y98.8Very high97.7Very high20 Ų2018.2 Ų18.28%0.07814%0.137CC..EExtended strand (participates in β ladder)trans-127.1140.7177.1-61.7-85.3000110.4P103 V104 L106 V109 C113 P127 T144 W146 F174P103-Y111 CarbonylContact C-O 3.55Å; P103-Y111 WeakPolarHBondContact CA-O 3.31Å; V104-Y111 PolarHBondContact N-O 3.24Å; V104-Y111 PolarHBondContact O-N 3.27Å; L106-Y111 HydrophobicContact CB-CD2 4.15Å; L106-Y111 HydrophobicContact CB-CE2 3.86Å; L106-Y111 HydrophobicContact CD2-CE2 4.22Å; L106-Y111 HydrophobicContact CG-CE2 4.47Å; V109-Y111 HydrophobicContact CB-CE2 3.7Å; V109-Y111 HydrophobicContact CG1-CD2 4.37Å; V109-Y111 HydrophobicContact CG1-CE1 4.18Å; V109-Y111 HydrophobicContact CG1-CE2 3.62Å; V109-Y111 WeakPolarHBondContact CG1-OH 3.26Å; V109-Y111 VanDerWaalsContact O-CD2 3.32Å; V109-Y111 WeakPolarHBondContact O-CD2 3.49Å; V109-Y111 WeakPolarHBondContact O-CE2 3.44Å; Y111-C113 WeakPolarHBondContact CB-SG 3.45Å; Y111-P127 HydrophobicContact CD1-CB 3.97Å; Y111-P127 HydrophobicContact CG-CB 4.14Å; Y111-T144 WeakPolarHBondContact CD1-O 3.43Å; Y111-T144 WeakPolarHBondContact CE1-O 3.35Å; Y111-W146 HydrophobicContact CE1-CB 4.48Å; Y111-W146 AromaticContact CE1-CE3 3.96Å; Y111-W146 HydrophobicContact CE1-CE3 3.96Å; Y111-F174 AromaticContact CD2-CZ 3.88Å; Y111-F174 HydrophobicContact CD2-CZ 3.88Å; Y111-F174 HydrophobicContact CE2-CZ 4.28Å; Y111-F174 HydrophobicContact CG-CZ 4.07Å
112N98.7Very high97.7Very high1 Ų118.3 Ų18.31%0.00514%0.137CC..EExtended strand (participates in β ladder)trans-78.7116.8163.8175.4-15.3000108E55 L56 P127 K128 F143E55-N112 PolarHBondContact OE1-ND2 3.29Å; L56-N112 HydrophobicContact CD2-CB 4.26Å; L56-N112 WeakPolarHBondContact CD2-OD1 3.36Å; N112-P127 CarbonylContact O-C 3.55Å; N112-P127 WeakPolarHBondContact O-CA 3.16Å; N112-K128 HydrophobicContact CB-CB 4.2Å; N112-K128 HydrophobicContact CB-CD 4.43Å; N112-K128 WeakPolarHBondContact O-CB 3.44Å; N112-K128 PolarHBondContact O-N 2.94Å; N112-F143 HydrophobicContact CB-CD1 4.36Å; N112-F143 HydrophobicContact CB-CD2 4.1Å; N112-F143 HydrophobicContact CB-CE2 4.28Å; N112-F143 HydrophobicContact CB-CG 4.14Å; N112-F143 HydrophobicContact CB-CZ 4.48Å
113C98.9Very high97.7Very high0 Ų019.5 Ų19.50%014%0.144CC..EExtended strand (participates in β ladder)trans-127.4155.1-167.8-71.60000113.5G101 M102 V104 Y111 I115 I125 R126 P127G101-C113 WeakPolarHBondContact CA-O 3.17Å; M102-C113 PolarHBondContact N-O 2.82Å; M102-C113 CarbonylContact O-C 3.53Å; M102-C113 WeakPolarHBondContact O-CA 3.42Å; M102-C113 WeakPolarHBondContact O-CB 3.16Å; M102-C113 PolarHBondContact O-N 2.82Å; V104-C113 HydrophobicContact CB-CB 4.19Å; V104-C113 HydrophobicContact CG2-CB 3.69Å; Y111-C113 WeakPolarHBondContact CB-SG 3.45Å; C113-I115 HydrophobicContact CB-CD1 4.26Å; C113-I125 HydrophobicContact CB-CG2 3.98Å; C113-R126 CarbonylContact C-O 3.55Å; C113-R126 WeakPolarHBondContact CA-O 3.37Å; C113-P127 VanDerWaalsContact SG-CA 3.57Å
114R98.9Very high97.7Very high1 Ų119.5 Ų19.50%0.00414%0.144CC..EExtended strand (participates in β ladder)trans-106.7127.7164.1-63.4174.369.8166.72.2109.4D99 I100 L116 I125 R126 E195 T196 L219D99-R114 VanDerWaalsContact CG-NE 3.34Å; D99-R114 IonicContact OD1-CZ 3.36Å; D99-R114 IonicContact OD1-NE 2.93Å; D99-R114 PolarHBondContact OD1-NE 3.24Å; D99-R114 IonicContact OD1-NH2 2.81Å; D99-R114 PolarHBondContact OD1-NH2 3.47Å; D99-R114 IonicContact OD2-CZ 3.9Å; D99-R114 IonicContact OD2-NE 3.41Å; D99-R114 PolarHBondContact OD2-NE 2.77Å; D99-R114 IonicContact OD2-NH2 3.31Å; D99-R114 PolarHBondContact OD2-NH2 2.81Å; I100-R114 CarbonylContact O-C 3.59Å; I100-R114 WeakPolarHBondContact O-CA 3.35Å; R114-L116 HydrophobicContact CB-CD1 4.19Å; R114-I125 CarbonylContact O-C 3.27Å; R114-I125 WeakPolarHBondContact O-CA 3.48Å; R114-R126 HydrophobicContact CB-CB 4.32Å; R114-R126 PolarHBondContact N-O 3.18Å; R114-R126 PolarHBondContact O-N 2.71Å; R114-E195 PolarHBondContact NH1-O 2.58Å; R114-T196 WeakPolarHBondContact CD-OG1 3.41Å; R114-L219 PolarHBondContact NH1-O 2.69Å; R114-L219 PolarHBondContact NH2-O 3.02Å
115I98.8Very high97.7Very high0 Ų019.5 Ų19.50%014%0.144CC..EExtended strand (participates in β ladder)trans-107.1118.3179.1-45.7-60000107.8I80 I100 M102 V104 C113 L117 V122 I125I80-I115 HydrophobicContact CD1-CB 4.44Å; I80-I115 HydrophobicContact CD1-CG2 4.48Å; I100-I115 PolarHBondContact N-O 3.12Å; I100-I115 PolarHBondContact O-N 2.83Å; M102-I115 HydrophobicContact CG-CD1 4.04Å; M102-I115 HydrophobicContact CG-CG1 3.52Å; M102-I115 HydrophobicContact SD-CD1 4.31Å; M102-I115 HydrophobicContact SD-CG1 3.77Å; V104-I115 HydrophobicContact CG2-CD1 3.81Å; C113-I115 HydrophobicContact CB-CD1 4.26Å; I115-L117 HydrophobicContact CG2-CD2 3.68Å; I115-L117 HydrophobicContact CG2-CG 4.34Å; I115-V122 HydrophobicContact CG2-CG1 3.92Å; I115-I125 HydrophobicContact CD1-CB 4.1Å; I115-I125 HydrophobicContact CD1-CD1 4.36Å; I115-I125 HydrophobicContact CD1-CG1 3.77Å; I115-I125 HydrophobicContact CD1-CG2 3.62Å
116L98.8Very high97.7Very high0 Ų017.1 Ų17.10%013%0.131CC..EExtended strand (participates in β ladder)trans-102.1116.5-178.2-73.284.1000109.4Y50 V97 C98 D99 R114 L123 L124 L179 L194Y50-L116 WeakPolarHBondContact OH-CD2 3.39Å; V97-L116 HydrophobicContact CG1-CD2 4.45Å; C98-L116 WeakPolarHBondContact O-CA 3.43Å; D99-L116 HydrophobicContact CB-CG 4.38Å; R114-L116 HydrophobicContact CB-CD1 4.19Å; L116-L123 HydrophobicContact CB-CB 4.31Å; L116-L123 PolarHBondContact O-N 3.4Å; L116-L124 HydrophobicContact CB-CB 4.31Å; L116-L124 HydrophobicContact CD1-CB 4.27Å; L116-L124 HydrophobicContact CD1-CD2 4.42Å; L116-L124 HydrophobicContact CD1-CG 4.4Å; L116-L124 PolarHBondContact N-O 3.44Å; L116-L179 HydrophobicContact CD2-CD1 3.25Å; L116-L179 HydrophobicContact CD2-CD2 3.78Å; L116-L179 HydrophobicContact CD2-CG 4.03Å; L116-L194 HydrophobicContact CD1-CD1 3.78Å; L116-L194 HydrophobicContact CD2-CD1 3.75Å; L116-L194 HydrophobicContact CD2-CD2 4.48Å; L116-L194 HydrophobicContact CG-CD1 4.43Å
117L98.5Very high97.8Very high0 Ų015.2 Ų15.20%012%0.121CC..EExtended strand (participates in β ladder)trans-110.4143.2-179.2-48.9180000110.5I80 I83 L84 I87 V97 C98 I100 I115 T121 V122I80-L117 HydrophobicContact CG2-CD1 4.45Å; I80-L117 HydrophobicContact CG2-CD2 4.49Å; I83-L117 HydrophobicContact CG2-CD1 3.89Å; L84-L117 HydrophobicContact CD2-CD1 4.24Å; L84-L117 HydrophobicContact CD2-CD2 4.18Å; L84-L117 HydrophobicContact CG-CD1 4.24Å; I87-L117 HydrophobicContact CD1-CB 3.99Å; I87-L117 HydrophobicContact CD1-CD1 4.04Å; V97-L117 WeakPolarHBondContact CA-O 3.16Å; C98-L117 HydrophobicContact CB-CB 4.23Å; C98-L117 PolarHBondContact N-O 3.06Å; C98-L117 PolarHBondContact O-N 3.46Å; I100-L117 HydrophobicContact CD1-CD1 3.89Å; I115-L117 HydrophobicContact CG2-CD2 3.68Å; I115-L117 HydrophobicContact CG2-CG 4.34Å; L117-T121 VanDerWaalsContact CA-O 3.29Å; L117-T121 WeakPolarHBondContact CA-O 3.14Å; L117-V122 HydrophobicContact CD2-CB 4.2Å; L117-V122 HydrophobicContact CD2-CG1 4.22Å; L117-V122 HydrophobicContact CD2-CG2 3.75Å
118L96.8Very high98Very high3 Ų311.2 Ų11.22%0.0168%0.08CC..EExtended strand (participates in β ladder)trans-151128.5168.8177.363.8000109.9I96 V97 G120 T121 L123 V338 R339 F340I96-L118 WeakPolarHBondContact O-CD1 3.22Å; V97-L118 HydrophobicContact CG2-CD1 4.31Å; V97-L118 HydrophobicContact CG2-CD2 4.39Å; L118-G120 PolarHBondContact O-N 2.92Å; L118-G120 VanDerWaalsContact O-N 3.14Å; L118-T121 PolarHBondContact N-O 2.86Å; L118-T121 PolarHBondContact O-N 3Å; L118-T121 PolarHBondContact O-OG1 2.88Å; L118-L123 HydrophobicContact CB-CD1 3.64Å; L118-L123 HydrophobicContact CB-CD2 4.35Å; L118-L123 HydrophobicContact CB-CG 4.04Å; L118-L123 HydrophobicContact CD2-CD1 4.22Å; L118-V338 HydrophobicContact CD2-CG1 3.57Å; L118-R339 WeakPolarHBondContact CD2-O 3.3Å; L118-F340 HydrophobicContact CD1-CD1 3.83Å; L118-F340 HydrophobicContact CD1-CE1 3.62Å; L118-F340 HydrophobicContact CD2-CD1 4.28Å; L118-F340 HydrophobicContact CD2-CE1 4.32Å
119N95.2Very high98.1Very high10 Ų108.3 Ų8.35%0.0535%0.048CC..THydrogen-bonded Turntrans49.245169.9-60.6-11.8000113.3Q94 D95 T121 L341Q94-N119 PolarHBondContact OE1-OD1 2.97Å; Q94-N119 VanDerWaalsContact OE1-OD1 3.09Å; D95-N119 WeakPolarHBondContact CA-OD1 3.49Å; D95-N119 PolarHBondContact N-OD1 2.77Å; D95-N119 PolarHBondContact OD1-ND2 2.92Å; N119-T121 VanDerWaalsContact C-N 3.35Å; N119-T121 PolarHBondContact O-N 3.35Å; N119-L341 HydrophobicContact CB-CD1 3.94Å; N119-L341 HydrophobicContact CB-CG 4.36Å; N119-L341 WeakPolarHBondContact ND2-CG 3.33Å; N119-L341 PolarHBondContact ND2-N 2.7Å
120G96.2Very high98.1Very high0 Ų08 Ų80%05%0.046CC..THydrogen-bonded Turntrans78.610.4179.600000115.4N88 L118 T165 K166N88-G120 WeakPolarHBondContact OD1-CA 3.34Å; L118-G120 PolarHBondContact O-N 2.92Å; L118-G120 VanDerWaalsContact O-N 3.14Å; G120-T165 CarbonylContact O-C 3.55Å; G120-T165 VanDerWaalsContact O-CA 3.25Å; G120-T165 WeakPolarHBondContact O-CA 3.16Å; G120-K166 PolarHBondContact O-N 3.2Å
121T97.5Very high98.1Very high38 Ų388.2 Ų8.223%0.2335%0.045CC..EExtended strand (participates in β ladder)trans-117.9148.5179.364.50000111.6L117 L118 N119 K166L117-T121 VanDerWaalsContact CA-O 3.29Å; L117-T121 WeakPolarHBondContact CA-O 3.14Å; L118-T121 PolarHBondContact N-O 2.86Å; L118-T121 PolarHBondContact O-N 3Å; L118-T121 PolarHBondContact O-OG1 2.88Å; N119-T121 VanDerWaalsContact C-N 3.35Å; N119-T121 PolarHBondContact O-N 3.35Å; T121-K166 HydrophobicContact CG2-CB 3.96Å
122V98.4Very high98Very high2 Ų27.3 Ų7.31%0.0124%0.042CC..EExtended strand (participates in β ladder)trans-93.3106.7170.5-173.20000107.7L84 I115 L117 I125 L157 V161 T165 Q169 A172L84-V122 HydrophobicContact CD1-CG2 4.33Å; I115-V122 HydrophobicContact CG2-CG1 3.92Å; L117-V122 HydrophobicContact CD2-CB 4.2Å; L117-V122 HydrophobicContact CD2-CG1 4.22Å; L117-V122 HydrophobicContact CD2-CG2 3.75Å; V122-I125 HydrophobicContact CG1-CG1 4.13Å; V122-L157 HydrophobicContact CB-CD1 4.18Å; V122-L157 HydrophobicContact CB-CD2 4.26Å; V122-L157 HydrophobicContact CG1-CD2 4.24Å; V122-L157 HydrophobicContact CG2-CD1 4.01Å; V122-L157 HydrophobicContact CG2-CD2 4.09Å; V122-V161 HydrophobicContact CG2-CG1 4.14Å; V122-T165 HydrophobicContact CG2-CG2 4.2Å; V122-Q169 PolarHBondContact O-NE2 3.45Å; V122-A172 HydrophobicContact CB-CB 4.04Å; V122-A172 HydrophobicContact CG1-CB 3.83Å
123L97.8Very high97.8Very high26 Ų2611 Ų1114%0.1366%0.062CC..EExtended strand (participates in β ladder)trans-77-47.6-175.6-61.3-179.4000112.2L116 L118 V336 V338L116-L123 HydrophobicContact CB-CB 4.31Å; L116-L123 PolarHBondContact O-N 3.4Å; L118-L123 HydrophobicContact CB-CD1 3.64Å; L118-L123 HydrophobicContact CB-CD2 4.35Å; L118-L123 HydrophobicContact CB-CG 4.04Å; L118-L123 HydrophobicContact CD2-CD1 4.22Å; L123-V336 HydrophobicContact CB-CG1 4.12Å; L123-V338 HydrophobicContact CD1-CG1 4.32Å; L123-V338 HydrophobicContact CD1-CG2 4.19Å
124L98.7Very high97.3Very high0 Ų018.3 Ų18.30%010%0.096CC..EExtended strand (participates in β ladder)trans-153.9139.9-172.1175.263.4000110L116 R126 A173 A177 L179 L194 V336L116-L124 HydrophobicContact CB-CB 4.31Å; L116-L124 HydrophobicContact CD1-CB 4.27Å; L116-L124 HydrophobicContact CD1-CD2 4.42Å; L116-L124 HydrophobicContact CD1-CG 4.4Å; L116-L124 PolarHBondContact N-O 3.44Å; L124-R126 HydrophobicContact CD2-CB 4.15Å; L124-R126 HydrophobicContact CG-CB 4.21Å; L124-A173 CarbonylContact C-O 3.27Å; L124-A173 WeakPolarHBondContact CA-O 3.25Å; L124-A173 HydrophobicContact CD1-CB 4.1Å; L124-A177 HydrophobicContact CD1-CB 4.26Å; L124-A177 HydrophobicContact CD2-CB 4.18Å; L124-L179 HydrophobicContact CD2-CD2 4.21Å; L124-L194 HydrophobicContact CD2-CD1 3.95Å; L124-V336 HydrophobicContact CB-CG2 4.37Å; L124-V336 HydrophobicContact CD1-CG2 4.26Å
125I98.9Very high96.7Very high0 Ų022 Ų220%013%0.133CC..EExtended strand (participates in β ladder)trans-110.3103.1164.5-57.3175.3000106.5W77 V104 C113 R114 I115 V122 P127 F155 L157 A172 A173 F174 G175W77-I125 HydrophobicContact CH2-CD1 3.94Å; V104-I125 HydrophobicContact CG2-CG2 4.16Å; C113-I125 HydrophobicContact CB-CG2 3.98Å; R114-I125 CarbonylContact O-C 3.27Å; R114-I125 WeakPolarHBondContact O-CA 3.48Å; I115-I125 HydrophobicContact CD1-CB 4.1Å; I115-I125 HydrophobicContact CD1-CD1 4.36Å; I115-I125 HydrophobicContact CD1-CG1 3.77Å; I115-I125 HydrophobicContact CD1-CG2 3.62Å; V122-I125 HydrophobicContact CG1-CG1 4.13Å; I125-P127 WeakPolarHBondContact O-CD 3.48Å; I125-F155 HydrophobicContact CD1-CB 4.33Å; I125-F155 HydrophobicContact CD1-CD1 3.45Å; I125-F155 VanDerWaalsContact CD1-CD1 3.45Å; I125-F155 HydrophobicContact CD1-CD2 4.41Å; I125-F155 HydrophobicContact CD1-CE1 3.81Å; I125-F155 HydrophobicContact CD1-CG 3.81Å; I125-F155 HydrophobicContact CD1-CZ 4.45Å; I125-L157 HydrophobicContact CD1-CD2 4.31Å; I125-A172 HydrophobicContact CD1-CB 4.48Å; I125-A173 PolarHBondContact N-O 2.61Å; I125-F174 HydrophobicContact CB-CB 4.38Å; I125-F174 HydrophobicContact CB-CD2 3.66Å; I125-F174 HydrophobicContact CB-CE2 4.38Å; I125-F174 HydrophobicContact CB-CG 4.37Å; I125-F174 HydrophobicContact CD1-CD2 4.47Å; I125-F174 HydrophobicContact CG2-CD2 3.32Å; I125-F174 HydrophobicContact CG2-CE2 3.53Å; I125-F174 HydrophobicContact CG2-CG 4.37Å; I125-F174 VanDerWaalsContact O-CA 3.27Å; I125-F174 WeakPolarHBondContact O-CA 3.09Å; I125-G175 PolarHBondContact O-N 3.46Å
126R98.7Very high96.3Very high0 Ų027 Ų270%016%0.16CC..EExtended strand (participates in β ladder)trans-97.1103.6-178.7174.755.5168.856.87.6109.6C113 R114 L124 L129 G175 D176 L194 E199C113-R126 CarbonylContact C-O 3.55Å; C113-R126 WeakPolarHBondContact CA-O 3.37Å; R114-R126 HydrophobicContact CB-CB 4.32Å; R114-R126 PolarHBondContact N-O 3.18Å; R114-R126 PolarHBondContact O-N 2.71Å; L124-R126 HydrophobicContact CD2-CB 4.15Å; L124-R126 HydrophobicContact CG-CB 4.21Å; R126-L129 VanDerWaalsContact NH2-CG 3.28Å; R126-G175 WeakPolarHBondContact CD-O 3.36Å; R126-D176 IonicContact CZ-OD1 2.71Å; R126-D176 VanDerWaalsContact CZ-OD1 3.24Å; R126-D176 IonicContact NE-OD1 3.33Å; R126-D176 PolarHBondContact NE-OD1 3.04Å; R126-D176 IonicContact NH2-OD1 2.74Å; R126-D176 PolarHBondContact NH2-OD1 3.17Å; R126-L194 HydrophobicContact CB-CD1 4.2Å; R126-L194 HydrophobicContact CG-CB 4.39Å; R126-L194 HydrophobicContact CG-CD1 4.34Å; R126-E199 IonicContact CZ-OE1 2.83Å; R126-E199 IonicContact NH1-OE1 3.52Å; R126-E199 PolarHBondContact NH1-OE1 3.04Å; R126-E199 VanDerWaalsContact NH1-OE1 3.08Å; R126-E199 IonicContact NH1-OE2 3.6Å; R126-E199 IonicContact NH2-OE1 2.87Å; R126-E199 IonicContact NH2-OE2 3.41Å
127P98.7Very high96Very high0 Ų027.8 Ų27.80%016%0.164CC..EExtended strand (participates in β ladder)trans-72.6146.7172.432.8-38.8000111.1Y111 N112 C113 I125 W146 F174Y111-P127 HydrophobicContact CD1-CB 3.97Å; Y111-P127 HydrophobicContact CG-CB 4.14Å; N112-P127 CarbonylContact O-C 3.55Å; N112-P127 WeakPolarHBondContact O-CA 3.16Å; C113-P127 VanDerWaalsContact SG-CA 3.57Å; I125-P127 WeakPolarHBondContact O-CD 3.48Å; P127-W146 HydrophobicContact CB-CB 3.82Å; P127-W146 HydrophobicContact CB-CG 4.38Å; P127-W146 HydrophobicContact CG-CB 3.43Å; P127-W146 VanDerWaalsContact CG-CB 3.43Å; P127-W146 HydrophobicContact CG-CD2 3.84Å; P127-W146 HydrophobicContact CG-CE3 4.27Å; P127-W146 HydrophobicContact CG-CG 3.48Å; P127-W146 VanDerWaalsContact CG-CG 3.48Å; P127-F174 HydrophobicContact CB-CE1 4.15Å; P127-F174 HydrophobicContact CB-CZ 3.81Å; P127-F174 HydrophobicContact CG-CD1 4.3Å; P127-F174 HydrophobicContact CG-CE1 3.61Å; P127-F174 HydrophobicContact CG-CZ 3.78Å
128K98.6Very high95.9Very high1 Ų135.7 Ų35.70%0.00419%0.193CC..  trans-62.4134.3174.1-169170.8-168-171.90110.7E55 N112 V130 L131 E139 W146 T196E55-K128 WeakPolarHBondContact OE1-CE 3.16Å; E55-K128 IonicContact OE1-NZ 3.75Å; E55-K128 PolarHBondContact OE1-NZ 3.21Å; E55-K128 IonicContact OE2-NZ 3.94Å; N112-K128 HydrophobicContact CB-CB 4.2Å; N112-K128 HydrophobicContact CB-CD 4.43Å; N112-K128 WeakPolarHBondContact O-CB 3.44Å; N112-K128 PolarHBondContact O-N 2.94Å; K128-V130 WeakPolarHBondContact CD-O 3.3Å; K128-V130 WeakPolarHBondContact CE-O 3.36Å; K128-V130 VanDerWaalsContact CG-O 3.28Å; K128-V130 WeakPolarHBondContact CG-O 3.19Å; K128-L131 HydrophobicContact CB-CD2 4.37Å; K128-L131 HydrophobicContact CD-CD2 4.06Å; K128-L131 HydrophobicContact CG-CD2 4.24Å; K128-E139 IonicContact NZ-OE1 2.83Å; K128-E139 PolarHBondContact NZ-OE1 3.14Å; K128-E139 IonicContact NZ-OE2 3.94Å; K128-E139 PolarHBondContact NZ-OE2 3.39Å; K128-W146 PolarHBondContact O-N 2.81Å; K128-T196 HydrophobicContact CD-CG2 3.92Å; K128-T196 WeakPolarHBondContact CE-O 3.27Å; K128-T196 HydrophobicContact CG-CG2 4.29Å
129L98Very high95.9Very high8 Ų835.6 Ų35.64%0.04219%0.193CC..SBendtrans-88-33.6-179-55.8-173.8000112.2R126 P145 W146 D176 E199 P206R126-L129 VanDerWaalsContact NH2-CG 3.28Å; L129-P145 WeakPolarHBondContact O-CB 3.3Å; L129-W146 HydrophobicContact CD2-CB 3.92Å; L129-W146 HydrophobicContact CD2-CG 4.24Å; L129-D176 HydrophobicContact CD2-CB 4.24Å; L129-E199 WeakPolarHBondContact CB-OE1 3.48Å; L129-E199 PolarHBondContact N-OE1 3.31Å; L129-P206 HydrophobicContact CD1-CB 4.42Å; L129-P206 HydrophobicContact CD1-CG 4.06Å
130V97.4Very high96Very high44 Ų4438.7 Ų38.727%0.26722%0.215SC..SBendtrans-128.4121.7-177.2-174.60000109.1K128 E198 E199 T202K128-V130 WeakPolarHBondContact CD-O 3.3Å; K128-V130 WeakPolarHBondContact CE-O 3.36Å; K128-V130 VanDerWaalsContact CG-O 3.28Å; K128-V130 WeakPolarHBondContact CG-O 3.19Å; V130-E198 HydrophobicContact CG1-CG 4.38Å; V130-E199 HydrophobicContact CB-CG 4.13Å; V130-E199 HydrophobicContact CG2-CG 4.4Å; V130-T202 HydrophobicContact CB-CG2 4.18Å; V130-T202 HydrophobicContact CG1-CG2 3.71Å; V130-T202 HydrophobicContact CG2-CG2 4.14Å
131L97.7Very high96.1Very high19 Ų1945.1 Ų45.110%0.09924%0.24CC..  trans-89149.1-179.7-61.7-171.2000111.4K128 E139 F143 P145K128-L131 HydrophobicContact CB-CD2 4.37Å; K128-L131 HydrophobicContact CD-CD2 4.06Å; K128-L131 HydrophobicContact CG-CD2 4.24Å; L131-E139 VanDerWaalsContact CA-OE2 3.28Å; L131-E139 WeakPolarHBondContact CA-OE2 3.31Å; L131-E139 HydrophobicContact CB-CB 3.86Å; L131-E139 HydrophobicContact CD1-CB 4.27Å; L131-E139 HydrophobicContact CD2-CB 4.3Å; L131-E139 HydrophobicContact CG-CB 4.36Å; L131-F143 HydrophobicContact CD1-CB 4.01Å; L131-F143 WeakPolarHBondContact CD1-O 3.27Å; L131-F143 HydrophobicContact CD2-CB 4.27Å; L131-P145 HydrophobicContact CG-CB 4.15Å
132A96.3Very high96.1Very high1 Ų144.9 Ų44.91%0.00823%0.234CC..  trans-86.9117.6173.200000110.7H137 R138 E139 E198A132-H137 HydrophobicContact CB-CB 3.55Å; A132-H137 CarbonylContact O-C 3.58Å; A132-H137 WeakPolarHBondContact O-CB 3.34Å; A132-R138 PolarHBondContact O-N 3.1Å; A132-E139 HydrophobicContact CB-CG 4.34Å; A132-E139 PolarHBondContact N-OE2 2.81Å; A132-E139 WeakPolarHBondContact O-CB 3.42Å; A132-E139 PolarHBondContact O-N 3.36Å; A132-E198 HydrophobicContact CB-CB 4.02Å; A132-E198 HydrophobicContact CB-CG 4.05Å
133D94.3Very high96.1Very high78 Ų7845.1 Ų45.142%0.41724%0.235SC..  trans-129.315.8178.9-72.7-53.5000113H137 R138 E139 S140D133-H137 CarbonylContact C-O 3.44Å; D133-H137 VanDerWaalsContact C-O 3.3Å; D133-H137 WeakPolarHBondContact CA-O 3.38Å; D133-R138 VanDerWaalsContact OD1-C 3.23Å; D133-R138 WeakPolarHBondContact OD1-CA 3.35Å; D133-E139 PolarHBondContact OD1-N 3.16Å; D133-E139 VanDerWaalsContact OD1-N 3.14Å; D133-S140 VanDerWaalsContact OD1-CB 3.3Å; D133-S140 WeakPolarHBondContact OD1-CB 3.26Å; D133-S140 PolarHBondContact OD1-N 2.9Å; D133-S140 PolarHBondContact OD1-OG 3.36Å; D133-S140 WeakPolarHBondContact OD2-CB 3.48Å; D133-S140 PolarHBondContact OD2-OG 2.84Å
134E88.5Confident96.1Very high154 Ų15447 Ų4772%0.7225%0.248SC*.SBendtrans-103.2144.7177-67.8-168.4178.400112.9L136 H137E134-L136 PolarHBondContact O-N 2.95Å; E134-H137 WeakPolarHBondContact O-CB 3.28Å; E134-H137 PolarHBondContact O-N 2.81Å
135G88Confident96.1Very high77 Ų7749.7 Ų49.779%0.79427%0.266SS*.THydrogen-bonded Turntrans65.3-113.217400000113.2H137G135-H137 VanDerWaalsContact C-N 3.34Å
136L89.7Confident96Very high105 Ų10550.2 Ų50.255%0.5527%0.268SS..THydrogen-bonded Turntrans-79.8-18176.8-64.4178.1000112.7E134E134-L136 PolarHBondContact O-N 2.95Å
137H92.8Very high95.8Very high18 Ų1854.2 Ų54.28%0.08329%0.293CS..  trans-85.8141-173.9-57.7-74.7000111.5Y61 A132 D133 E134 G135 H225Y61-H137 AromaticContact CE1-ND1 3.77Å; Y61-H137 AromaticContact CZ-ND1 3.61Å; Y61-H137 PolarHBondContact OH-ND1 3.22Å; A132-H137 HydrophobicContact CB-CB 3.55Å; A132-H137 CarbonylContact O-C 3.58Å; A132-H137 WeakPolarHBondContact O-CB 3.34Å; D133-H137 CarbonylContact C-O 3.44Å; D133-H137 VanDerWaalsContact C-O 3.3Å; D133-H137 WeakPolarHBondContact CA-O 3.38Å; E134-H137 WeakPolarHBondContact O-CB 3.28Å; E134-H137 PolarHBondContact O-N 2.81Å; G135-H137 VanDerWaalsContact C-N 3.34Å; H137-H225 AromaticContact CD2-CE1 3.8Å; H137-H225 AromaticContact CD2-ND1 3.92Å; H137-H225 AromaticContact CE1-ND1 3.51Å; H137-H225 AromaticContact NE2-CE1 3.21Å; H137-H225 PolarHBondContact NE2-CE1 2.71Å; H137-H225 AromaticContact NE2-ND1 2.94Å; H137-H225 PolarHBondContact NE2-ND1 3.06Å
138R95.1Very high95.6Very high165 Ų16558 Ų5862%0.62331%0.311SS*.  trans-146.740.1-180-57.6-174.3-171.9-136.4-0.3111.1A132 D133 S140 R141 W142A132-R138 PolarHBondContact O-N 3.1Å; D133-R138 VanDerWaalsContact OD1-C 3.23Å; D133-R138 WeakPolarHBondContact OD1-CA 3.35Å; R138-S140 PolarHBondContact O-N 3.36Å; R138-S140 VanDerWaalsContact O-N 3.14Å; R138-R141 HydrophobicContact CB-CB 4.45Å; R138-R141 WeakPolarHBondContact O-CB 3.38Å; R138-R141 PolarHBondContact O-N 3.25Å; R138-W142 HydrophobicContact CB-CH2 4.28Å
139E97.6Very high95.3Very high1 Ų163.3 Ų63.31%0.00534%0.336CS..G310 helixtrans-57.6-31.9-170.7-73.4-177.817400113.2Y61 K128 L131 A132 D133 R141 W142 F143Y61-E139 WeakPolarHBondContact CE2-OE1 3.29Å; Y61-E139 WeakPolarHBondContact OH-CG 3.31Å; Y61-E139 PolarHBondContact OH-OE1 3.34Å; K128-E139 IonicContact NZ-OE1 2.83Å; K128-E139 PolarHBondContact NZ-OE1 3.14Å; K128-E139 IonicContact NZ-OE2 3.94Å; K128-E139 PolarHBondContact NZ-OE2 3.39Å; L131-E139 VanDerWaalsContact CA-OE2 3.28Å; L131-E139 WeakPolarHBondContact CA-OE2 3.31Å; L131-E139 HydrophobicContact CB-CB 3.86Å; L131-E139 HydrophobicContact CD1-CB 4.27Å; L131-E139 HydrophobicContact CD2-CB 4.3Å; L131-E139 HydrophobicContact CG-CB 4.36Å; A132-E139 HydrophobicContact CB-CG 4.34Å; A132-E139 PolarHBondContact N-OE2 2.81Å; A132-E139 WeakPolarHBondContact O-CB 3.42Å; A132-E139 PolarHBondContact O-N 3.36Å; D133-E139 PolarHBondContact OD1-N 3.16Å; D133-E139 VanDerWaalsContact OD1-N 3.14Å; E139-R141 PolarHBondContact O-N 2.66Å; E139-R141 VanDerWaalsContact O-N 3.12Å; E139-W142 PolarHBondContact O-N 2.74Å; E139-F143 HydrophobicContact CB-CD2 4.49Å; E139-F143 PolarHBondContact O-N 3.02Å
140S97.4Very high95Very high75 Ų7564.9 Ų64.952%0.52434%0.343SS..G310 helixtrans-61.9-16.9175.560.30000114.2D133 R138 W142D133-S140 VanDerWaalsContact OD1-CB 3.3Å; D133-S140 WeakPolarHBondContact OD1-CB 3.26Å; D133-S140 PolarHBondContact OD1-N 2.9Å; D133-S140 PolarHBondContact OD1-OG 3.36Å; D133-S140 WeakPolarHBondContact OD2-CB 3.48Å; D133-S140 PolarHBondContact OD2-OG 2.84Å; R138-S140 PolarHBondContact O-N 3.36Å; R138-S140 VanDerWaalsContact O-N 3.14Å; S140-W142 PolarHBondContact O-N 3.19Å
141R97.8Very high94.9Very high136 Ų13669.3 Ų69.351%0.51335%0.354SS..G310 helixtrans-66.4-27.9172.2-176.2175.5171.579.70.6112.2D65 H68 R138 E139D65-R141 IonicContact OD1-CZ 3.44Å; D65-R141 IonicContact OD1-NE 3.49Å; D65-R141 PolarHBondContact OD1-NE 3.04Å; D65-R141 IonicContact OD1-NH2 2.6Å; D65-R141 PolarHBondContact OD1-NH2 3.05Å; D65-R141 IonicContact OD2-CZ 3.59Å; D65-R141 IonicContact OD2-NE 3.55Å; D65-R141 IonicContact OD2-NH2 3.11Å; D65-R141 PolarHBondContact OD2-NH2 2.94Å; H68-R141 PolarHBondContact NE2-O 3.09Å; R138-R141 HydrophobicContact CB-CB 4.45Å; R138-R141 WeakPolarHBondContact O-CB 3.38Å; R138-R141 PolarHBondContact O-N 3.25Å; E139-R141 PolarHBondContact O-N 2.66Å; E139-R141 VanDerWaalsContact O-N 3.12Å
142W97.3Very high94.8Very high32 Ų3271.4 Ų71.412%0.12137%0.365CS..THydrogen-bonded Turntrans-123.3-28.3-171.3-41.4-66.9000113.5E64 D65 F67 H68 A110 R138 E139 S140E64-W142 VanDerWaalsContact C-NE1 3.25Å; E64-W142 VanDerWaalsContact CA-CZ2 3.46Å; E64-W142 HydrophobicContact CB-CH2 4.32Å; E64-W142 HydrophobicContact CB-CZ2 3.72Å; E64-W142 HydrophobicContact CG-CH2 4.19Å; E64-W142 HydrophobicContact CG-CZ2 4.02Å; E64-W142 PolarHBondContact O-NE1 2.93Å; D65-W142 PolarHBondContact OD1-NE1 2.96Å; F67-W142 HydrophobicContact CB-CB 3.73Å; F67-W142 HydrophobicContact CB-CG 4.11Å; F67-W142 HydrophobicContact CD2-CB 4.17Å; F67-W142 HydrophobicContact CD2-CD2 4.15Å; F67-W142 HydrophobicContact CD2-CE3 4.18Å; F67-W142 HydrophobicContact CD2-CG 4.14Å; F67-W142 HydrophobicContact CG-CB 4.36Å; H68-W142 AromaticContact CD2-CD1 3.58Å; H68-W142 AromaticContact NE2-CD1 3.47Å; A110-W142 VanDerWaalsContact CB-O 3.3Å; A110-W142 WeakPolarHBondContact CB-O 3.29Å; R138-W142 HydrophobicContact CB-CH2 4.28Å; E139-W142 PolarHBondContact O-N 2.74Å; S140-W142 PolarHBondContact O-N 3.19Å
143F98.6Very high94.8Very high7 Ų774.1 Ų74.13%0.03138%0.379CS..  trans-123157.5-174.3-58-63.5000112.1L56 F67 P103 A110 N112 L131 E139L56-F143 HydrophobicContact CD1-CE2 4Å; L56-F143 HydrophobicContact CD1-CZ 4.11Å; L56-F143 HydrophobicContact CD2-CZ 4.48Å; F67-F143 HydrophobicContact CB-CZ 4.22Å; F67-F143 HydrophobicContact CD1-CE1 4.23Å; F67-F143 AromaticContact CD1-CZ 3.62Å; F67-F143 HydrophobicContact CD1-CZ 3.62Å; F67-F143 AromaticContact CD2-CE2 3.79Å; F67-F143 HydrophobicContact CD2-CE2 3.79Å; F67-F143 AromaticContact CD2-CZ 3.64Å; F67-F143 HydrophobicContact CD2-CZ 3.64Å; F67-F143 AromaticContact CE1-CZ 3.8Å; F67-F143 HydrophobicContact CE1-CZ 3.8Å; F67-F143 AromaticContact CE2-CE2 3.85Å; F67-F143 HydrophobicContact CE2-CE2 3.85Å; F67-F143 AromaticContact CE2-CZ 3.81Å; F67-F143 HydrophobicContact CE2-CZ 3.81Å; F67-F143 HydrophobicContact CG-CE1 4.25Å; F67-F143 HydrophobicContact CG-CE2 4.17Å; F67-F143 AromaticContact CG-CZ 3.56Å; F67-F143 HydrophobicContact CG-CZ 3.56Å; F67-F143 HydrophobicContact CZ-CE2 4.29Å; F67-F143 AromaticContact CZ-CZ 3.89Å; F67-F143 HydrophobicContact CZ-CZ 3.89Å; P103-F143 HydrophobicContact CB-CE1 3.76Å; P103-F143 HydrophobicContact CB-CZ 4.1Å; A110-F143 HydrophobicContact CB-CD1 4.01Å; A110-F143 CarbonylContact O-C 3.3Å; A110-F143 WeakPolarHBondContact O-CA 3.31Å; N112-F143 HydrophobicContact CB-CD1 4.36Å; N112-F143 HydrophobicContact CB-CD2 4.1Å; N112-F143 HydrophobicContact CB-CE2 4.28Å; N112-F143 HydrophobicContact CB-CG 4.14Å; N112-F143 HydrophobicContact CB-CZ 4.48Å; L131-F143 HydrophobicContact CD1-CB 4.01Å; L131-F143 WeakPolarHBondContact CD1-O 3.27Å; L131-F143 HydrophobicContact CD2-CB 4.27Å; E139-F143 HydrophobicContact CB-CD2 4.49Å; E139-F143 PolarHBondContact O-N 3.02Å
144T98.6Very high95Very high67 Ų6776.5 Ų76.541%0.41139%0.392SS..  trans-109.5135.8168.9-59.50000109V109 A110 Y111V109-T144 VanDerWaalsContact CG1-CB 3.5Å; V109-T144 HydrophobicContact CG1-CG2 4.04Å; V109-T144 WeakPolarHBondContact CG1-OG1 3.37Å; A110-T144 PolarHBondContact O-N 3Å; Y111-T144 WeakPolarHBondContact CD1-O 3.43Å; Y111-T144 WeakPolarHBondContact CE1-O 3.35Å
145P98.1Very high95.4Very high56 Ų5669.7 Ų69.736%0.36436%0.36SS..  trans-65.7145.417226.5-32.2000110.2L129 L131 P147L129-P145 WeakPolarHBondContact O-CB 3.3Å; L131-P145 HydrophobicContact CG-CB 4.15Å; P145-P147 VanDerWaalsContact O-CD 3.28Å; P145-P147 WeakPolarHBondContact O-CD 3.39Å
146W97.9Very high95.9Very high11 Ų1173.3 Ų73.34%0.04236%0.356CS..  trans-70.3116.9171.7179-110000110.8L106 Y111 P127 K128 L129 H148 I153 F174L106-W146 HydrophobicContact CD2-CZ3 3.97Å; Y111-W146 HydrophobicContact CE1-CB 4.48Å; Y111-W146 AromaticContact CE1-CE3 3.96Å; Y111-W146 HydrophobicContact CE1-CE3 3.96Å; P127-W146 HydrophobicContact CB-CB 3.82Å; P127-W146 HydrophobicContact CB-CG 4.38Å; P127-W146 HydrophobicContact CG-CB 3.43Å; P127-W146 VanDerWaalsContact CG-CB 3.43Å; P127-W146 HydrophobicContact CG-CD2 3.84Å; P127-W146 HydrophobicContact CG-CE3 4.27Å; P127-W146 HydrophobicContact CG-CG 3.48Å; P127-W146 VanDerWaalsContact CG-CG 3.48Å; K128-W146 PolarHBondContact O-N 2.81Å; L129-W146 HydrophobicContact CD2-CB 3.92Å; L129-W146 HydrophobicContact CD2-CG 4.24Å; W146-H148 VanDerWaalsContact C-N 3.3Å; W146-H148 VanDerWaalsContact CD1-O 3.24Å; W146-H148 HydrophobicContact CZ2-CB 4.01Å; W146-H148 AromaticContact CZ2-CD2 3.91Å; W146-H148 PolarHBondContact NE1-O 3.13Å; W146-H148 PolarHBondContact O-N 3.25Å; W146-I153 HydrophobicContact CH2-CD1 3.88Å; W146-I153 HydrophobicContact CH2-CG1 4.11Å; W146-F174 HydrophobicContact CD2-CE1 4.15Å; W146-F174 HydrophobicContact CE3-CD1 4.39Å; W146-F174 AromaticContact CE3-CE1 3.59Å; W146-F174 HydrophobicContact CE3-CE1 3.59Å; W146-F174 HydrophobicContact CH2-CD1 4.05Å; W146-F174 HydrophobicContact CH2-CE1 4.01Å; W146-F174 HydrophobicContact CZ2-CD1 4.43Å; W146-F174 HydrophobicContact CZ3-CD1 4.04Å; W146-F174 AromaticContact CZ3-CE1 3.52Å; W146-F174 HydrophobicContact CZ3-CE1 3.52Å
147P94.2Very high96.3Very high83 Ų8368.3 Ų68.354%0.53933%0.33SS..  trans-82.8-7.2-168.933.5-35.9000113.3P145P145-P147 VanDerWaalsContact O-CD 3.28Å; P145-P147 WeakPolarHBondContact O-CD 3.39Å
148H93.2Very high96.6Very high81 Ų8169.3 Ų69.338%0.37534%0.338SS..  trans-111.782.8-171.4-55.3-55.1000111.6W146 R151W146-H148 VanDerWaalsContact C-N 3.3Å; W146-H148 VanDerWaalsContact CD1-O 3.24Å; W146-H148 HydrophobicContact CZ2-CB 4.01Å; W146-H148 AromaticContact CZ2-CD2 3.91Å; W146-H148 PolarHBondContact NE1-O 3.13Å; W146-H148 PolarHBondContact O-N 3.25Å; H148-R151 HydrophobicContact CB-CB 3.83Å; H148-R151 HydrophobicContact CB-CG 4.4Å; H148-R151 PolarHBondContact O-N 2.99Å
149H92.5Very high96.7Very high112 Ų11266.7 Ų66.752%0.51933%0.333SS..THydrogen-bonded Turntrans-57143.5173.6-68.1-147.6000110.3R151H149-R151 PolarHBondContact O-N 2.84Å; H149-R151 VanDerWaalsContact O-N 3.14Å
150Q92.8Very high96.7Very high41 Ų4170 Ų7019%0.19235%0.349CS..THydrogen-bonded Turntrans52.934178.4-51.1-178.820.700114.1D176 S331 Y333 P334Q150-D176 CarbonylContact C-O 3.6Å; Q150-D176 PolarHBondContact N-OD2 3.43Å; Q150-S331 PolarHBondContact OE1-O 3.42Å; Q150-S331 PolarHBondContact OE1-OG 3.43Å; Q150-Y333 HydrophobicContact CB-CD1 4.44Å; Q150-Y333 HydrophobicContact CB-CE1 4.49Å; Q150-Y333 HydrophobicContact CG-CD1 4.06Å; Q150-Y333 HydrophobicContact CG-CD2 3.9Å; Q150-Y333 HydrophobicContact CG-CE1 3.83Å; Q150-Y333 HydrophobicContact CG-CE2 3.66Å; Q150-Y333 HydrophobicContact CG-CG 4.09Å; Q150-P334 VanDerWaalsContact C-CD 3.46Å; Q150-P334 VanDerWaalsContact C-CG 3.48Å; Q150-P334 WeakPolarHBondContact O-CD 3.39Å; Q150-P334 WeakPolarHBondContact O-CG 3.45Å
151R93.8Very high96.7Very high136 Ų13666.4 Ų66.451%0.51332%0.324SS..  trans-133.7139.6177.9-170.3175.5-177.7174.80.8110.4H148 H149 G175 D176H148-R151 HydrophobicContact CB-CB 3.83Å; H148-R151 HydrophobicContact CB-CG 4.4Å; H148-R151 PolarHBondContact O-N 2.99Å; H149-R151 PolarHBondContact O-N 2.84Å; H149-R151 VanDerWaalsContact O-N 3.14Å; R151-G175 CarbonylContact O-C 3.52Å; R151-G175 WeakPolarHBondContact O-CA 3.4Å; R151-D176 PolarHBondContact N-O 2.76Å; R151-D176 PolarHBondContact O-N 2.84Å
152I95.7Very high96.7Very high63 Ų6364.1 Ų64.132%0.32332%0.316SS..EExtended strand (participates in β ladder)trans-119.1154.8169.860.1174.7000110.9A173 F174 A177 P334I152-A173 HydrophobicContact CD1-CB 4.45Å; I152-F174 CarbonylContact C-O 3.48Å; I152-F174 WeakPolarHBondContact CA-O 3.43Å; I152-A177 HydrophobicContact CG2-CB 3.73Å; I152-P334 HydrophobicContact CD1-CB 4.08Å; I152-P334 HydrophobicContact CG1-CB 4.03Å; I152-P334 HydrophobicContact CG1-CG 4.49Å; I152-P334 HydrophobicContact CG2-CB 4.02Å; I152-P334 HydrophobicContact CG2-CG 4.41Å
153I97.2Very high96.7Very high58 Ų5869.6 Ų69.630%0.29734%0.341SS..EExtended strand (participates in β ladder)trans-131.1171.9168.461.5165.9000108.8L106 W146 F174L106-I153 HydrophobicContact CD1-CD1 4.42Å; L106-I153 HydrophobicContact CD2-CD1 3.74Å; W146-I153 HydrophobicContact CH2-CD1 3.88Å; W146-I153 HydrophobicContact CH2-CG1 4.11Å; I153-F174 HydrophobicContact CD1-CD1 4.31Å; I153-F174 HydrophobicContact CG1-CB 4.16Å; I153-F174 HydrophobicContact CG1-CD1 4.12Å; I153-F174 PolarHBondContact N-O 2.94Å; I153-F174 PolarHBondContact O-N 3.32Å
154D98Very high96.7Very high128 Ų12870.4 Ų70.468%0.68435%0.346SS*.EExtended strand (participates in β ladder)trans-83135.5170.4-72.5-13.3000110.3V171D154-V171 HydrophobicContact CB-CG1 3.8Å
155F98.4Very high96.6Very high11 Ų1167.5 Ų67.55%0.04833%0.328CS..EExtended strand (participates in β ladder)trans-117.3122.5174.6179.1-79.6000110.2W77 V104 L105 L106 I125 L157 V171 A172 F174W77-F155 HydrophobicContact CH2-CE1 4.03Å; W77-F155 AromaticContact CZ2-CE1 3.69Å; W77-F155 HydrophobicContact CZ2-CE1 3.69Å; W77-F155 AromaticContact CZ2-CZ 3.83Å; W77-F155 HydrophobicContact CZ2-CZ 3.83Å; V104-F155 HydrophobicContact CG1-CD2 4.47Å; V104-F155 HydrophobicContact CG1-CE2 3.48Å; V104-F155 VanDerWaalsContact CG1-CE2 3.48Å; V104-F155 HydrophobicContact CG1-CZ 3.55Å; L105-F155 WeakPolarHBondContact O-CE2 3.26Å; L106-F155 HydrophobicContact CB-CD2 4.34Å; L106-F155 HydrophobicContact CB-CE2 4.08Å; L106-F155 HydrophobicContact CD1-CD2 3.95Å; L106-F155 HydrophobicContact CD1-CE2 4.29Å; I125-F155 HydrophobicContact CD1-CB 4.33Å; I125-F155 HydrophobicContact CD1-CD1 3.45Å; I125-F155 VanDerWaalsContact CD1-CD1 3.45Å; I125-F155 HydrophobicContact CD1-CD2 4.41Å; I125-F155 HydrophobicContact CD1-CE1 3.81Å; I125-F155 HydrophobicContact CD1-CG 3.81Å; I125-F155 HydrophobicContact CD1-CZ 4.45Å; F155-L157 HydrophobicContact CD1-CD2 4.25Å; F155-L157 HydrophobicContact CE1-CD2 4.47Å; F155-L157 PolarHBondContact O-N 3.49Å; F155-V171 CarbonylContact O-C 3.6Å; F155-V171 VanDerWaalsContact O-CA 3.29Å; F155-V171 WeakPolarHBondContact O-CA 3.36Å; F155-V171 VanDerWaalsContact O-CG1 3.31Å; F155-V171 WeakPolarHBondContact O-CG1 3.09Å; F155-A172 PolarHBondContact N-O 2.9Å; F155-A172 PolarHBondContact O-N 2.8Å; F155-F174 HydrophobicContact CB-CB 3.57Å; F155-F174 HydrophobicContact CB-CD2 4.22Å; F155-F174 HydrophobicContact CB-CG 4.24Å; F155-F174 HydrophobicContact CD2-CB 4.43Å; F155-F174 AromaticContact CD2-CD2 3.55Å; F155-F174 HydrophobicContact CD2-CD2 3.55Å; F155-F174 HydrophobicContact CD2-CE2 4.1Å; F155-F174 HydrophobicContact CD2-CG 4.19Å; F155-F174 HydrophobicContact CE2-CD2 4.25Å; F155-F174 HydrophobicContact CE2-CE2 4.4Å; F155-F174 HydrophobicContact CG-CB 4.37Å; F155-F174 HydrophobicContact CG-CD2 4.1Å
156E98.1Very high96.4Very high153 Ų15369 Ų6972%0.71533%0.329SS*.EExtended strand (participates in β ladder)trans-72.1115.7176.8-65.4-173.9-177.900110.8V171E156-V171 HydrophobicContact CG-CG1 4.38Å
157L98.4Very high96.1Very high1 Ų175.7 Ų75.71%0.00537%0.366CS..  trans-69.9139.1179.4-68.3173000110.3W77 V122 I125 F155 V161 R162 T165 Q169 S170 A172W77-L157 HydrophobicContact CH2-CD2 4.13Å; W77-L157 HydrophobicContact CZ3-CD2 4.36Å; V122-L157 HydrophobicContact CB-CD1 4.18Å; V122-L157 HydrophobicContact CB-CD2 4.26Å; V122-L157 HydrophobicContact CG1-CD2 4.24Å; V122-L157 HydrophobicContact CG2-CD1 4.01Å; V122-L157 HydrophobicContact CG2-CD2 4.09Å; I125-L157 HydrophobicContact CD1-CD2 4.31Å; F155-L157 HydrophobicContact CD1-CD2 4.25Å; F155-L157 HydrophobicContact CE1-CD2 4.47Å; F155-L157 PolarHBondContact O-N 3.49Å; L157-V161 HydrophobicContact CB-CB 4.49Å; L157-V161 HydrophobicContact CB-CG1 4.31Å; L157-V161 HydrophobicContact CD1-CG1 4.21Å; L157-V161 HydrophobicContact CD2-CG1 4.3Å; L157-R162 HydrophobicContact CB-CG 3.94Å; L157-R162 WeakPolarHBondContact O-CD 3.06Å; L157-R162 WeakPolarHBondContact O-CG 3.47Å; L157-R162 PolarHBondContact O-NH1 2.93Å; L157-T165 HydrophobicContact CD1-CG2 4.45Å; L157-Q169 HydrophobicContact CD1-CB 4.41Å; L157-Q169 HydrophobicContact CD1-CG 3.94Å; L157-S170 PolarHBondContact N-O 2.79Å; L157-A172 HydrophobicContact CD1-CB 4.27Å; L157-A172 HydrophobicContact CD2-CB 4Å; L157-A172 HydrophobicContact CG-CB 4.19Å
158P97.6Very high96.1Very high39 Ų3975.8 Ų75.825%0.25337%0.368SS..  trans-60.1152.8176.3-24.134.1000112.5W77 I160 V161 R162W77-P158 HydrophobicContact CD2-CG 3.7Å; W77-P158 HydrophobicContact CE3-CG 4.32Å; W77-P158 HydrophobicContact CG-CG 3.83Å; W77-P158 HydrophobicContact CZ2-CG 4.13Å; P158-I160 HydrophobicContact CB-CG2 4.33Å; P158-I160 PolarHBondContact O-N 2.6Å; P158-I160 VanDerWaalsContact O-N 3.14Å; P158-V161 WeakPolarHBondContact O-CB 3.44Å; P158-V161 PolarHBondContact O-N 3.07Å; P158-R162 WeakPolarHBondContact O-CG 3.44Å; P158-R162 PolarHBondContact O-N 2.94Å
159E97.2Very high96.4Very high109 Ų10973.9 Ų73.951%0.50936%0.359SS..Hα-helixtrans-53.3-40.8-176.2-169.8-171.9152.800113.3V161 R162 K163E159-V161 PolarHBondContact O-N 2.88Å; E159-R162 PolarHBondContact O-N 3.35Å; E159-K163 HydrophobicContact CG-CD 4.48Å; E159-K163 WeakPolarHBondContact O-CG 3.06Å; E159-K163 PolarHBondContact O-N 2.76Å; E159-K163 WeakPolarHBondContact OE1-CE 3.22Å; E159-K163 IonicContact OE1-NZ 3.78Å; E159-K163 PolarHBondContact OE1-NZ 3.09Å
160I97.9Very high96.6Very high70 Ų7071.8 Ų71.836%0.35936%0.357SS..Hα-helixtrans-60.3-34179.1-165.5171000112.7W77 Q78 A81 P158W77-I160 HydrophobicContact CB-CG2 4.29Å; Q78-I160 HydrophobicContact CB-CD1 4.21Å; Q78-I160 HydrophobicContact CG-CD1 3.55Å; A81-I160 HydrophobicContact CB-CD1 4.34Å; A81-I160 HydrophobicContact CB-CG1 3.87Å; P158-I160 HydrophobicContact CB-CG2 4.33Å; P158-I160 PolarHBondContact O-N 2.6Å; P158-I160 VanDerWaalsContact O-N 3.14Å
161V98.3Very high96.8Very high0 Ų072.5 Ų72.50%037%0.365CS..Hα-helixtrans-79.1-44.5176.5176.10000110.4W77 I80 L84 V122 L157 P158 E159 K163 V164 T165W77-V161 HydrophobicContact CD2-CG2 4.29Å; W77-V161 HydrophobicContact CE3-CG2 3.43Å; W77-V161 VanDerWaalsContact CE3-CG2 3.43Å; W77-V161 HydrophobicContact CZ3-CG2 3.88Å; I80-V161 HydrophobicContact CG2-CG2 4.39Å; L84-V161 HydrophobicContact CD1-CG1 3.76Å; V122-V161 HydrophobicContact CG2-CG1 4.14Å; L157-V161 HydrophobicContact CB-CB 4.49Å; L157-V161 HydrophobicContact CB-CG1 4.31Å; L157-V161 HydrophobicContact CD1-CG1 4.21Å; L157-V161 HydrophobicContact CD2-CG1 4.3Å; P158-V161 WeakPolarHBondContact O-CB 3.44Å; P158-V161 PolarHBondContact O-N 3.07Å; E159-V161 PolarHBondContact O-N 2.88Å; V161-K163 PolarHBondContact O-N 2.91Å; V161-K163 VanDerWaalsContact O-N 3.16Å; V161-V164 WeakPolarHBondContact O-CG2 3.3Å; V161-V164 PolarHBondContact O-N 3.12Å; V161-T165 HydrophobicContact CG1-CG2 3.67Å; V161-T165 WeakPolarHBondContact O-CG2 3.13Å; V161-T165 PolarHBondContact O-N 2.65Å; V161-T165 PolarHBondContact O-OG1 2.82Å
162R98Very high97Very high89 Ų8966.2 Ų66.234%0.33634%0.342SS..Hα-helixtrans-56.8-32.9178.9-62.4-168.2-61-113.46.8112.9L157 P158 E159 V164 T165 S168 Q169L157-R162 HydrophobicContact CB-CG 3.94Å; L157-R162 WeakPolarHBondContact O-CD 3.06Å; L157-R162 WeakPolarHBondContact O-CG 3.47Å; L157-R162 PolarHBondContact O-NH1 2.93Å; P158-R162 WeakPolarHBondContact O-CG 3.44Å; P158-R162 PolarHBondContact O-N 2.94Å; E159-R162 PolarHBondContact O-N 3.35Å; R162-V164 VanDerWaalsContact C-N 3.27Å; R162-V164 PolarHBondContact O-N 3.31Å; R162-T165 PolarHBondContact O-OG1 2.73Å; R162-S168 WeakPolarHBondContact O-CA 3.33Å; R162-Q169 WeakPolarHBondContact CG-O 3.02Å
163K97.4Very high97.2Very high147 Ų14764.1 Ų64.164%0.63933%0.334SS*.THydrogen-bonded Turntrans-66.4-26.2177.8-77174.9179.1168.50113.8E159 V161E159-K163 HydrophobicContact CG-CD 4.48Å; E159-K163 WeakPolarHBondContact O-CG 3.06Å; E159-K163 PolarHBondContact O-N 2.76Å; E159-K163 WeakPolarHBondContact OE1-CE 3.22Å; E159-K163 IonicContact OE1-NZ 3.78Å; E159-K163 PolarHBondContact OE1-NZ 3.09Å; V161-K163 PolarHBondContact O-N 2.91Å; V161-K163 VanDerWaalsContact O-N 3.16Å
164V97.4Very high97.2Very high23 Ų2361.4 Ų61.414%0.13932%0.32CS..THydrogen-bonded Turntrans-112.3-15.3-172.8-58.60000113.2A81 L84 N85 N88 V161 R162A81-V164 HydrophobicContact CB-CG2 4Å; L84-V164 HydrophobicContact CB-CG2 3.84Å; L84-V164 HydrophobicContact CD1-CG2 3.99Å; N85-V164 VanDerWaalsContact OD1-CB 3.23Å; N85-V164 WeakPolarHBondContact OD1-CB 3.48Å; N85-V164 WeakPolarHBondContact OD1-CG1 3.49Å; N88-V164 PolarHBondContact ND2-O 3.23Å; V161-V164 WeakPolarHBondContact O-CG2 3.3Å; V161-V164 PolarHBondContact O-N 3.12Å; R162-V164 VanDerWaalsContact C-N 3.27Å; R162-V164 PolarHBondContact O-N 3.31Å
165T97.3Very high97.2Very high7 Ų755.3 Ų55.34%0.04329%0.287CS..SBendtrans-69.6148.3175.549.40000111.5L84 G120 V122 L157 V161 R162 N167 S168 Q169L84-T165 HydrophobicContact CD1-CG2 3.81Å; G120-T165 CarbonylContact O-C 3.55Å; G120-T165 VanDerWaalsContact O-CA 3.25Å; G120-T165 WeakPolarHBondContact O-CA 3.16Å; V122-T165 HydrophobicContact CG2-CG2 4.2Å; L157-T165 HydrophobicContact CD1-CG2 4.45Å; V161-T165 HydrophobicContact CG1-CG2 3.67Å; V161-T165 WeakPolarHBondContact O-CG2 3.13Å; V161-T165 PolarHBondContact O-N 2.65Å; V161-T165 PolarHBondContact O-OG1 2.82Å; R162-T165 PolarHBondContact O-OG1 2.73Å; T165-N167 PolarHBondContact O-N 3.22Å; T165-S168 PolarHBondContact O-N 2.92Å; T165-Q169 HydrophobicContact CG2-CB 4.34Å; T165-Q169 PolarHBondContact OG1-N 2.86Å; T165-Q169 PolarHBondContact OG1-O 2.79Å
166K92.6Very high97.2Very high88 Ų8854.8 Ų54.838%0.38329%0.285SS..G310 helixtrans-57.7133.6174.3-169.8174.3-174.6171.60110.1G120 T121 S168 Q169G120-K166 PolarHBondContact O-N 3.2Å; T121-K166 HydrophobicContact CG2-CB 3.96Å; K166-S168 PolarHBondContact O-N 2.9Å; K166-Q169 PolarHBondContact O-N 2.82Å
167N92.9Very high97.1Very high151 Ų15147.5 Ų47.581%0.80725%0.251SS*.G310 helixtrans55.925.3-176.8-54.6-29.3000114.1T165 Q169T165-N167 PolarHBondContact O-N 3.22Å; N167-Q169 VanDerWaalsContact C-N 3.3Å; N167-Q169 PolarHBondContact O-N 3.28Å
168S94.5Very high97Very high84 Ų8447.6 Ų47.659%0.58725%0.251SS*.G310 helixtrans53.944.6-179.6-53.50000113.2R162 T165 K166 S170R162-S168 WeakPolarHBondContact O-CA 3.33Å; T165-S168 PolarHBondContact O-N 2.92Å; K166-S168 PolarHBondContact O-N 2.9Å; S168-S170 PolarHBondContact O-N 3Å; S168-S170 VanDerWaalsContact O-N 3.11Å
169Q97.5Very high96.9Very high41 Ų4145.7 Ų45.719%0.19224%0.239CC..  trans-47.5119.3179.6-178.5-173-3.500110.6V122 L157 R162 T165 K166 N167 V171V122-Q169 PolarHBondContact O-NE2 3.45Å; L157-Q169 HydrophobicContact CD1-CB 4.41Å; L157-Q169 HydrophobicContact CD1-CG 3.94Å; R162-Q169 WeakPolarHBondContact CG-O 3.02Å; T165-Q169 HydrophobicContact CG2-CB 4.34Å; T165-Q169 PolarHBondContact OG1-N 2.86Å; T165-Q169 PolarHBondContact OG1-O 2.79Å; K166-Q169 PolarHBondContact O-N 2.82Å; N167-Q169 VanDerWaalsContact C-N 3.3Å; N167-Q169 PolarHBondContact O-N 3.28Å; Q169-V171 VanDerWaalsContact CG-O 3.28Å; Q169-V171 WeakPolarHBondContact CG-O 3.33Å; Q169-V171 PolarHBondContact NE2-O 3Å
170S97.4Very high96.8Very high68 Ų6844.3 Ų44.348%0.47623%0.229SC..  trans-91.2-29.7-177.652.80000113.8L157 S168L157-S170 PolarHBondContact N-O 2.79Å; S168-S170 PolarHBondContact O-N 3Å; S168-S170 VanDerWaalsContact O-N 3.11Å
171V97.9Very high96.4Very high57 Ų5741.1 Ų41.135%0.34521%0.213SC..EExtended strand (participates in β ladder)trans-132.3145.1-173.4-116.60000110.9D154 F155 E156 Q169D154-V171 HydrophobicContact CB-CG1 3.8Å; F155-V171 CarbonylContact O-C 3.6Å; F155-V171 VanDerWaalsContact O-CA 3.29Å; F155-V171 WeakPolarHBondContact O-CA 3.36Å; F155-V171 VanDerWaalsContact O-CG1 3.31Å; F155-V171 WeakPolarHBondContact O-CG1 3.09Å; E156-V171 HydrophobicContact CG-CG1 4.38Å; Q169-V171 VanDerWaalsContact CG-O 3.28Å; Q169-V171 WeakPolarHBondContact CG-O 3.33Å; Q169-V171 PolarHBondContact NE2-O 3Å
172A98.1Very high95.4Very high4 Ų442.4 Ų42.43%0.03322%0.222CC..EExtended strand (participates in β ladder)trans-127.5157.4171.900000110.5V122 I125 F155 L157V122-A172 HydrophobicContact CB-CB 4.04Å; V122-A172 HydrophobicContact CG1-CB 3.83Å; I125-A172 HydrophobicContact CD1-CB 4.48Å; F155-A172 PolarHBondContact N-O 2.9Å; F155-A172 PolarHBondContact O-N 2.8Å; L157-A172 HydrophobicContact CD1-CB 4.27Å; L157-A172 HydrophobicContact CD2-CB 4Å; L157-A172 HydrophobicContact CG-CB 4.19Å
173A98.3Very high93.9Very high19 Ų1940.2 Ų40.216%0.15723%0.227CC..EExtended strand (participates in β ladder)trans-68.5136.4172.600000109.9L124 I125 I152 V336L124-A173 CarbonylContact C-O 3.27Å; L124-A173 WeakPolarHBondContact CA-O 3.25Å; L124-A173 HydrophobicContact CD1-CB 4.1Å; I125-A173 PolarHBondContact N-O 2.61Å; I152-A173 HydrophobicContact CD1-CB 4.45Å; A173-V336 HydrophobicContact CB-CG2 4.1Å
174F98.7Very high91.9Very high0 Ų040 Ų400%023%0.233CC..EExtended strand (participates in β ladder)trans-129.4130.2175.4-179.3-74.1000110.6V104 L106 Y111 I125 P127 W146 I152 I153 F155V104-F174 HydrophobicContact CG1-CE2 4.2Å; L106-F174 HydrophobicContact CB-CE2 4.49Å; L106-F174 HydrophobicContact CB-CZ 4.35Å; L106-F174 HydrophobicContact CD2-CD1 3.87Å; L106-F174 HydrophobicContact CD2-CE1 3.53Å; L106-F174 HydrophobicContact CD2-CE2 4.42Å; L106-F174 HydrophobicContact CD2-CG 4.47Å; L106-F174 HydrophobicContact CD2-CZ 3.85Å; Y111-F174 AromaticContact CD2-CZ 3.88Å; Y111-F174 HydrophobicContact CD2-CZ 3.88Å; Y111-F174 HydrophobicContact CE2-CZ 4.28Å; Y111-F174 HydrophobicContact CG-CZ 4.07Å; I125-F174 HydrophobicContact CB-CB 4.38Å; I125-F174 HydrophobicContact CB-CD2 3.66Å; I125-F174 HydrophobicContact CB-CE2 4.38Å; I125-F174 HydrophobicContact CB-CG 4.37Å; I125-F174 HydrophobicContact CD1-CD2 4.47Å; I125-F174 HydrophobicContact CG2-CD2 3.32Å; I125-F174 HydrophobicContact CG2-CE2 3.53Å; I125-F174 HydrophobicContact CG2-CG 4.37Å; I125-F174 VanDerWaalsContact O-CA 3.27Å; I125-F174 WeakPolarHBondContact O-CA 3.09Å; P127-F174 HydrophobicContact CB-CE1 4.15Å; P127-F174 HydrophobicContact CB-CZ 3.81Å; P127-F174 HydrophobicContact CG-CD1 4.3Å; P127-F174 HydrophobicContact CG-CE1 3.61Å; P127-F174 HydrophobicContact CG-CZ 3.78Å; W146-F174 HydrophobicContact CD2-CE1 4.15Å; W146-F174 HydrophobicContact CE3-CD1 4.39Å; W146-F174 AromaticContact CE3-CE1 3.59Å; W146-F174 HydrophobicContact CE3-CE1 3.59Å; W146-F174 HydrophobicContact CH2-CD1 4.05Å; W146-F174 HydrophobicContact CH2-CE1 4.01Å; W146-F174 HydrophobicContact CZ2-CD1 4.43Å; W146-F174 HydrophobicContact CZ3-CD1 4.04Å; W146-F174 AromaticContact CZ3-CE1 3.52Å; W146-F174 HydrophobicContact CZ3-CE1 3.52Å; I152-F174 CarbonylContact C-O 3.48Å; I152-F174 WeakPolarHBondContact CA-O 3.43Å; I153-F174 HydrophobicContact CD1-CD1 4.31Å; I153-F174 HydrophobicContact CG1-CB 4.16Å; I153-F174 HydrophobicContact CG1-CD1 4.12Å; I153-F174 PolarHBondContact N-O 2.94Å; I153-F174 PolarHBondContact O-N 3.32Å; F155-F174 HydrophobicContact CB-CB 3.57Å; F155-F174 HydrophobicContact CB-CD2 4.22Å; F155-F174 HydrophobicContact CB-CG 4.24Å; F155-F174 HydrophobicContact CD2-CB 4.43Å; F155-F174 AromaticContact CD2-CD2 3.55Å; F155-F174 HydrophobicContact CD2-CD2 3.55Å; F155-F174 HydrophobicContact CD2-CE2 4.1Å; F155-F174 HydrophobicContact CD2-CG 4.19Å; F155-F174 HydrophobicContact CE2-CD2 4.25Å; F155-F174 HydrophobicContact CE2-CE2 4.4Å; F155-F174 HydrophobicContact CG-CB 4.37Å; F155-F174 HydrophobicContact CG-CD2 4.1Å
175G98.2Very high89.8Confident0 Ų040.9 Ų40.90%025%0.247CC..EExtended strand (participates in β ladder)trans129.6-157.9177.900000113.1I125 R126 R151I125-G175 PolarHBondContact O-N 3.46Å; R126-G175 WeakPolarHBondContact CD-O 3.36Å; R151-G175 CarbonylContact O-C 3.52Å; R151-G175 WeakPolarHBondContact O-CA 3.4Å
176D97.6Very high87.5Confident0 Ų046.3 Ų46.30%027%0.267CS..SBendtrans-96105.9-172.6-173.436.1000112.2R126 L129 Q150 R151 Y333R126-D176 IonicContact CZ-OD1 2.71Å; R126-D176 VanDerWaalsContact CZ-OD1 3.24Å; R126-D176 IonicContact NE-OD1 3.33Å; R126-D176 PolarHBondContact NE-OD1 3.04Å; R126-D176 IonicContact NH2-OD1 2.74Å; R126-D176 PolarHBondContact NH2-OD1 3.17Å; L129-D176 HydrophobicContact CD2-CB 4.24Å; Q150-D176 CarbonylContact C-O 3.6Å; Q150-D176 PolarHBondContact N-OD2 3.43Å; R151-D176 PolarHBondContact N-O 2.76Å; R151-D176 PolarHBondContact O-N 2.84Å; D176-Y333 VanDerWaalsContact OD2-CE1 3.32Å; D176-Y333 WeakPolarHBondContact OD2-CE1 3.35Å; D176-Y333 PolarHBondContact OD2-OH 2.96Å
177A96.9Very high85.5Confident0 Ų042.6 Ų42.60%025%0.252CS..  trans-139.7157.3-176.800000112.1L124 I152 P334 V336L124-A177 HydrophobicContact CD1-CB 4.26Å; L124-A177 HydrophobicContact CD2-CB 4.18Å; I152-A177 HydrophobicContact CG2-CB 3.73Å; A177-P334 CarbonylContact C-O 3.6Å; A177-P334 WeakPolarHBondContact CA-O 3.41Å; A177-P334 HydrophobicContact CB-CB 4.07Å; A177-P334 WeakPolarHBondContact CB-O 3.47Å; A177-V336 HydrophobicContact CB-CG2 3.97Å
178I96.1Very high84Confident3 Ų338.9 Ų38.92%0.01523%0.23CC..EExtended strand (participates in β ladder)trans-96.1149.3167.864.2171.8000110.2I192 V215 Y333 P334 V335 V336I178-I192 WeakPolarHBondContact CA-O 3.39Å; I178-V215 HydrophobicContact CB-CG2 3.95Å; I178-V215 HydrophobicContact CD1-CG2 4.19Å; I178-V215 HydrophobicContact CG2-CG2 3.45Å; I178-V215 VanDerWaalsContact CG2-CG2 3.45Å; I178-Y333 HydrophobicContact CG2-CD1 3.63Å; I178-Y333 HydrophobicContact CG2-CD2 4.49Å; I178-Y333 HydrophobicContact CG2-CE1 4.14Å; I178-Y333 HydrophobicContact CG2-CG 3.83Å; I178-P334 WeakPolarHBondContact CG1-O 3.49Å; I178-P334 PolarHBondContact N-O 2.99Å; I178-V335 HydrophobicContact CD1-CG2 4.01Å; I178-V335 HydrophobicContact CG1-CB 4.45Å; I178-V335 HydrophobicContact CG1-CG2 3.88Å; I178-V335 WeakPolarHBondContact O-CA 2.99Å; I178-V336 PolarHBondContact O-N 3.43Å
179L95.6Very high83.2Confident0 Ų039.6 Ų39.60%022%0.224CC..EExtended strand (participates in β ladder)trans-92132.9173.3-55.1168.4000109Y50 L116 L124 F181 Q191 I192 L194 V336 V338Y50-L179 HydrophobicContact CE2-CD1 3.69Å; L116-L179 HydrophobicContact CD2-CD1 3.25Å; L116-L179 HydrophobicContact CD2-CD2 3.78Å; L116-L179 HydrophobicContact CD2-CG 4.03Å; L124-L179 HydrophobicContact CD2-CD2 4.21Å; L179-F181 HydrophobicContact CB-CE2 4.3Å; L179-Q191 CarbonylContact O-C 3.58Å; L179-Q191 VanDerWaalsContact O-CA 3.26Å; L179-Q191 WeakPolarHBondContact O-CA 3.44Å; L179-I192 HydrophobicContact CB-CB 4.22Å; L179-I192 HydrophobicContact CD1-CB 4.34Å; L179-I192 HydrophobicContact CD1-CG2 4.45Å; L179-I192 PolarHBondContact N-O 3.08Å; L179-I192 PolarHBondContact O-N 2.79Å; L179-L194 HydrophobicContact CD1-CD1 4.37Å; L179-L194 HydrophobicContact CD1-CD2 4.18Å; L179-V336 WeakPolarHBondContact CA-O 3.5Å; L179-V336 HydrophobicContact CD2-CB 4.06Å; L179-V336 HydrophobicContact CD2-CG1 4.16Å; L179-V338 HydrophobicContact CB-CG2 3.88Å; L179-V338 HydrophobicContact CD2-CG2 4.12Å; L179-V338 HydrophobicContact CG-CG2 4.45Å
180R93.3Very high82.8Confident79 Ų7937.7 Ų37.730%0.29822%0.215SC..EExtended strand (participates in β ladder)trans-120.2116.7171.2-177.2179.6-63.3165.42.7110.1Q191 V335 V336 K337 V338R180-Q191 HydrophobicContact CB-CG 4.44Å; R180-Q191 HydrophobicContact CG-CG 4.21Å; R180-Q191 VanDerWaalsContact NH2-NE2 3.19Å; R180-V335 HydrophobicContact CB-CG1 3.41Å; R180-V335 VanDerWaalsContact CB-CG1 3.41Å; R180-V335 HydrophobicContact CG-CG1 4.48Å; R180-V336 PolarHBondContact N-O 2.94Å; R180-K337 CarbonylContact O-C 3.55Å; R180-K337 WeakPolarHBondContact O-CA 3.2Å; R180-V338 PolarHBondContact O-N 3.35Å
181F90.7Very high82.6Confident3 Ų335.8 Ų35.81%0.01320%0.199CC..EExtended strand (participates in β ladder)trans-72.4131.5176.3-75-124.7000109.1Y50 V97 L179 H189 V190 I192 V338 F340Y50-F181 HydrophobicContact CD2-CE2 4.38Å; Y50-F181 AromaticContact CD2-CZ 3.84Å; Y50-F181 HydrophobicContact CD2-CZ 3.84Å; Y50-F181 HydrophobicContact CE2-CZ 4.4Å; V97-F181 HydrophobicContact CG2-CE1 4.22Å; V97-F181 HydrophobicContact CG2-CZ 3.78Å; L179-F181 HydrophobicContact CB-CE2 4.3Å; F181-H189 VanDerWaalsContact O-CA 3.28Å; F181-H189 WeakPolarHBondContact O-CA 3.32Å; F181-H189 PolarHBondContact O-ND1 3.33Å; F181-V190 HydrophobicContact CB-CG1 3.48Å; F181-V190 VanDerWaalsContact CB-CG1 3.48Å; F181-V190 HydrophobicContact CD1-CG1 3.71Å; F181-V190 HydrophobicContact CD2-CG1 3.55Å; F181-V190 HydrophobicContact CE1-CG1 4.4Å; F181-V190 HydrophobicContact CE2-CG1 4.28Å; F181-V190 HydrophobicContact CG-CG1 3.27Å; F181-V190 PolarHBondContact N-O 2.93Å; F181-I192 HydrophobicContact CD2-CD1 4.27Å; F181-I192 HydrophobicContact CE2-CD1 3.51Å; F181-I192 HydrophobicContact CE2-CG1 4.13Å; F181-I192 HydrophobicContact CZ-CD1 3.93Å; F181-V338 HydrophobicContact CD1-CB 4.43Å; F181-V338 HydrophobicContact CD1-CG1 4.19Å; F181-V338 HydrophobicContact CD2-CB 3.92Å; F181-V338 HydrophobicContact CD2-CG1 4.36Å; F181-V338 HydrophobicContact CD2-CG2 3.96Å; F181-V338 HydrophobicContact CE1-CG1 3.94Å; F181-V338 HydrophobicContact CE2-CB 4Å; F181-V338 HydrophobicContact CE2-CG1 4.1Å; F181-V338 HydrophobicContact CE2-CG2 3.75Å; F181-V338 HydrophobicContact CG-CB 4.1Å; F181-V338 HydrophobicContact CG-CG1 4.35Å; F181-V338 HydrophobicContact CZ-CB 4.26Å; F181-V338 HydrophobicContact CZ-CG1 3.85Å; F181-V338 HydrophobicContact CZ-CG2 4.27Å; F181-F340 AromaticContact CD1-CE2 3.6Å; F181-F340 HydrophobicContact CD1-CE2 3.6Å; F181-F340 HydrophobicContact CD1-CZ 4.21Å; F181-F340 AromaticContact CE1-CE2 3.58Å; F181-F340 HydrophobicContact CE1-CE2 3.58Å; F181-F340 AromaticContact CE1-CZ 3.69Å; F181-F340 HydrophobicContact CE1-CZ 3.69Å
182S77.9Confident82.5Confident27 Ų2733.1 Ų33.119%0.18918%0.182CC..  trans-138.8128.3-177.356.90000109.5V338 R339S182-V338 PolarHBondContact N-O 2.62Å; S182-V338 PolarHBondContact OG-O 3.3Å; S182-V338 VanDerWaalsContact OG-O 3.12Å; S182-R339 WeakPolarHBondContact OG-CG 3.21Å
183G66.4Low82.5Confident44 Ų4432.9 Ų32.945%0.45418%0.181SC..SBendtrans163.2166.3-178.200000111.2G185G183-G185 PolarHBondContact O-N 2.87Å
184N54.6Low82.5Confident141 Ų14132 Ų3275%0.75417%0.173SC*.SBendtrans-90.830.7-174-59-0.6000112.1F342N184-F342 HydrophobicContact CB-CE2 4.17Å; N184-F342 HydrophobicContact CB-CZ 4.46Å
185G52.7Low82.5Confident42 Ų4232 Ų3243%0.43317%0.173SC..SBendtrans-148.7173.2-171.900000113.8G183 S187G183-G185 PolarHBondContact O-N 2.87Å; G185-S187 PolarHBondContact O-N 2.83Å
186Y49.2Very low82.5Confident121 Ų12132 Ų3248%0.47517%0.174SC..SBendtrans-46.283.6-168.9-71.7-77.6000117.3S9 P10 S12S9-Y186 PolarHBondContact OG-OH 3.19Å; P10-Y186 VanDerWaalsContact O-CE1 3.28Å; P10-Y186 WeakPolarHBondContact O-CE1 3.13Å; S12-Y186 VanDerWaalsContact CA-CD1 3.48Å; S12-Y186 WeakPolarHBondContact OG-CD1 3.44Å
187S51.5Low82.5Confident10 Ų1032.1 Ų32.17%0.0717%0.174CC..SBendtrans15755.2151.560.90000107.2G185 H189 V190G185-S187 PolarHBondContact O-N 2.83Å; S187-H189 PolarHBondContact O-N 2.87Å; S187-V190 PolarHBondContact O-N 3.49Å
188E60.7Low82.5Confident73 Ų7334 Ų3434%0.34118%0.183SC..THydrogen-bonded Turntrans-55.1116.6-170.3-74.8-177-179.400110.8V11 V190V11-E188 HydrophobicContact CG1-CB 4.09Å; V11-E188 VanDerWaalsContact CG1-CD 3.43Å; V11-E188 HydrophobicContact CG1-CG 3.59Å; E188-V190 VanDerWaalsContact C-N 3.33Å; E188-V190 PolarHBondContact O-N 3.48Å
189H77.1Confident82.6Confident100 Ų10033.9 Ų33.946%0.46318%0.182SC..THydrogen-bonded Turntrans59.234.4173.2-50.1-49.9000115.4F181 S187 Q191 R302F181-H189 VanDerWaalsContact O-CA 3.28Å; F181-H189 WeakPolarHBondContact O-CA 3.32Å; F181-H189 PolarHBondContact O-ND1 3.33Å; S187-H189 PolarHBondContact O-N 2.87Å; H189-Q191 PolarHBondContact O-N 3.38Å; H189-R302 PolarHBondContact O-NH2 3.21Å
190V89.9Confident82.7Confident0 Ų034.1 Ų34.10%018%0.183CC..  trans-59.1132.5165.866.90000109.6F15 F181 S187 E188 I192 D216 L298F15-V190 HydrophobicContact CD2-CG1 4.16Å; F15-V190 HydrophobicContact CD2-CG2 4.34Å; F15-V190 HydrophobicContact CE2-CG1 4.45Å; F15-V190 HydrophobicContact CG-CG2 4.2Å; F181-V190 HydrophobicContact CB-CG1 3.48Å; F181-V190 VanDerWaalsContact CB-CG1 3.48Å; F181-V190 HydrophobicContact CD1-CG1 3.71Å; F181-V190 HydrophobicContact CD2-CG1 3.55Å; F181-V190 HydrophobicContact CE1-CG1 4.4Å; F181-V190 HydrophobicContact CE2-CG1 4.28Å; F181-V190 HydrophobicContact CG-CG1 3.27Å; F181-V190 PolarHBondContact N-O 2.93Å; S187-V190 PolarHBondContact O-N 3.49Å; E188-V190 VanDerWaalsContact C-N 3.33Å; E188-V190 PolarHBondContact O-N 3.48Å; V190-I192 HydrophobicContact CG2-CG1 4.17Å; V190-D216 WeakPolarHBondContact CA-OD2 3.43Å; V190-D216 HydrophobicContact CG2-CB 4.24Å; V190-L298 HydrophobicContact CB-CD1 3.57Å; V190-L298 HydrophobicContact CG2-CD1 3.59Å; V190-L298 HydrophobicContact CG2-CD2 4.07Å; V190-L298 HydrophobicContact CG2-CG 4.5Å
191Q93.4Very high82.8Confident29 Ų2932.3 Ų32.314%0.13618%0.177CC..EExtended strand (participates in β ladder)trans-110.4129.4174.7-66.5-173.6600109.8L179 R180 H189 G214 V215 D216 A217L179-Q191 CarbonylContact O-C 3.58Å; L179-Q191 VanDerWaalsContact O-CA 3.26Å; L179-Q191 WeakPolarHBondContact O-CA 3.44Å; R180-Q191 HydrophobicContact CB-CG 4.44Å; R180-Q191 HydrophobicContact CG-CG 4.21Å; R180-Q191 VanDerWaalsContact NH2-NE2 3.19Å; H189-Q191 PolarHBondContact O-N 3.38Å; Q191-G214 PolarHBondContact OE1-O 3.08Å; Q191-V215 HydrophobicContact CB-CG2 4.39Å; Q191-D216 PolarHBondContact N-OD2 2.94Å; Q191-D216 PolarHBondContact O-N 3.26Å; Q191-A217 PolarHBondContact O-N 2.73Å
192I96Very high83Confident0 Ų034 Ų340%019%0.187CC..EExtended strand (participates in β ladder)trans-123.1129.5-175.4-55.5-178.5000109.9F15 Y50 I178 L179 F181 V190 L194 A217 L219F15-I192 HydrophobicContact CE1-CD1 4.09Å; F15-I192 HydrophobicContact CE2-CD1 3.86Å; F15-I192 HydrophobicContact CZ-CD1 3.4Å; F15-I192 HydrophobicContact CZ-CG1 4.45Å; Y50-I192 HydrophobicContact CD2-CD1 3.59Å; Y50-I192 HydrophobicContact CE2-CD1 3.89Å; Y50-I192 HydrophobicContact CG-CD1 4.4Å; I178-I192 WeakPolarHBondContact CA-O 3.39Å; L179-I192 HydrophobicContact CB-CB 4.22Å; L179-I192 HydrophobicContact CD1-CB 4.34Å; L179-I192 HydrophobicContact CD1-CG2 4.45Å; L179-I192 PolarHBondContact N-O 3.08Å; L179-I192 PolarHBondContact O-N 2.79Å; F181-I192 HydrophobicContact CD2-CD1 4.27Å; F181-I192 HydrophobicContact CE2-CD1 3.51Å; F181-I192 HydrophobicContact CE2-CG1 4.13Å; F181-I192 HydrophobicContact CZ-CD1 3.93Å; V190-I192 HydrophobicContact CG2-CG1 4.17Å; I192-L194 HydrophobicContact CG2-CD2 4.15Å; I192-A217 CarbonylContact C-O 3.17Å; I192-A217 VanDerWaalsContact CA-O 3.27Å; I192-A217 WeakPolarHBondContact CA-O 3.37Å; I192-A217 HydrophobicContact CG1-CB 4.46Å; I192-L219 HydrophobicContact CD1-CD1 4.43Å; I192-L219 HydrophobicContact CG2-CD1 3.75Å; I192-L219 HydrophobicContact CG2-CG 3.81Å
193G97.6Very high83.7Confident0 Ų036.5 Ų36.50%022%0.217CC..EExtended strand (participates in β ladder)trans-100.1156.616800000110.5A217 V218 L219G193-A217 PolarHBondContact N-O 2.74Å; G193-V218 WeakPolarHBondContact O-CA 3.18Å; G193-L219 PolarHBondContact O-N 2.77Å
194L98.5Very high85Confident0 Ų040.2 Ų40.20%023%0.232CC..EExtended strand (participates in β ladder)trans-126123-174.1-54.2174.2000108.8Y50 L116 L124 R126 L179 I192 M210Y50-L194 VanDerWaalsContact OH-CD2 3.3Å; Y50-L194 WeakPolarHBondContact OH-CD2 3.5Å; L116-L194 HydrophobicContact CD1-CD1 3.78Å; L116-L194 HydrophobicContact CD2-CD1 3.75Å; L116-L194 HydrophobicContact CD2-CD2 4.48Å; L116-L194 HydrophobicContact CG-CD1 4.43Å; L124-L194 HydrophobicContact CD2-CD1 3.95Å; R126-L194 HydrophobicContact CB-CD1 4.2Å; R126-L194 HydrophobicContact CG-CB 4.39Å; R126-L194 HydrophobicContact CG-CD1 4.34Å; L179-L194 HydrophobicContact CD1-CD1 4.37Å; L179-L194 HydrophobicContact CD1-CD2 4.18Å; I192-L194 HydrophobicContact CG2-CD2 4.15Å; L194-M210 VanDerWaalsContact O-CE 3.22Å; L194-M210 WeakPolarHBondContact O-CE 3.36Å
195E98.4Very high87Confident0 Ų034.1 Ų34.10%020%0.2CC..EExtended strand (participates in β ladder)trans-117.9151171-77.9-171.5159.500111.7R114 E199 P206 H207 M210 V218 L219 N220 S221 Y250R114-E195 PolarHBondContact NH1-O 2.58Å; E195-E199 WeakPolarHBondContact CA-OE2 3.48Å; E195-E199 HydrophobicContact CB-CB 4.3Å; E195-E199 HydrophobicContact CG-CB 4.35Å; E195-P206 HydrophobicContact CG-CB 4.22Å; E195-P206 HydrophobicContact CG-CG 4.47Å; E195-P206 VanDerWaalsContact OE1-CD 3.26Å; E195-P206 WeakPolarHBondContact OE1-CD 3.24Å; E195-H207 WeakPolarHBondContact OE1-CA 3.16Å; E195-H207 VanDerWaalsContact OE1-CB 3.23Å; E195-H207 WeakPolarHBondContact OE1-CB 3.43Å; E195-H207 IonicContact OE1-CG 2.81Å; E195-H207 PolarHBondContact OE1-N 3.34Å; E195-H207 IonicContact OE1-ND1 3.24Å; E195-H207 PolarHBondContact OE1-ND1 2.76Å; E195-H207 IonicContact OE2-ND1 3.96Å; E195-H207 PolarHBondContact OE2-ND1 3.26Å; E195-M210 HydrophobicContact CG-CE 4.4Å; E195-M210 HydrophobicContact CG-SD 4.47Å; E195-V218 HydrophobicContact CB-CG1 4.12Å; E195-V218 HydrophobicContact CG-CG1 3.82Å; E195-L219 PolarHBondContact N-O 3.38Å; E195-L219 VanDerWaalsContact N-O 3.09Å; E195-N220 HydrophobicContact CB-CB 4.45Å; E195-N220 VanDerWaalsContact O-CA 3.24Å; E195-N220 WeakPolarHBondContact O-CA 3.41Å; E195-S221 PolarHBondContact O-N 2.65Å; E195-S221 VanDerWaalsContact O-N 3.13Å; E195-Y250 VanDerWaalsContact OE2-CE2 3.23Å; E195-Y250 WeakPolarHBondContact OE2-CE2 3.39Å; E195-Y250 VanDerWaalsContact OE2-CZ 3.26Å; E195-Y250 PolarHBondContact OE2-OH 3.13Å
196T98.5Very high89.1Confident1 Ų132.7 Ų32.71%0.00618%0.183CC..EExtended strand (participates in β ladder)trans-122.5116.5177.1-44.40000110.2E55 R114 K128 E198 E199 S221E55-T196 HydrophobicContact CB-CG2 4.33Å; E55-T196 HydrophobicContact CG-CG2 3.88Å; E55-T196 WeakPolarHBondContact OE1-CG2 3.41Å; R114-T196 WeakPolarHBondContact CD-OG1 3.41Å; K128-T196 HydrophobicContact CD-CG2 3.92Å; K128-T196 WeakPolarHBondContact CE-O 3.27Å; K128-T196 HydrophobicContact CG-CG2 4.29Å; T196-E198 PolarHBondContact O-N 2.75Å; T196-E199 PolarHBondContact N-OE2 2.96Å; T196-E199 WeakPolarHBondContact O-CB 2.92Å; T196-E199 WeakPolarHBondContact O-CG 3.45Å; T196-E199 PolarHBondContact O-N 2.96Å; T196-S221 WeakPolarHBondContact CA-O 3.14Å; T196-S221 WeakPolarHBondContact CG2-O 2.93Å
197C97.2Very high91.3Very high2 Ų227.3 Ų27.31%0.01416%0.162CC..G310 helixtrans37.5-100.4175.4-164.50000115E55 E199 L200 W201 N220 S221 S222E55-C197 WeakPolarHBondContact OE2-CB 3.02Å; C197-E199 PolarHBondContact O-N 2.99Å; C197-E199 VanDerWaalsContact O-N 3.11Å; C197-L200 PolarHBondContact O-N 2.95Å; C197-W201 VanDerWaalsContact O-CD1 3.23Å; C197-W201 PolarHBondContact O-NE1 3.25Å; C197-N220 PolarHBondContact N-OD1 2.95Å; C197-S221 PolarHBondContact N-O 2.84Å; C197-S222 VanDerWaalsContact CA-OG 3.22Å; C197-S222 WeakPolarHBondContact CA-OG 3.42Å
198E97.2Very high93.3Very high40 Ų4030.3 Ų30.319%0.18718%0.176CC..G310 helixtrans-56.5-26.7-173.6-164.358.8-149.600113.5V130 A132 T196 L200 W201V130-E198 HydrophobicContact CG1-CG 4.38Å; A132-E198 HydrophobicContact CB-CB 4.02Å; A132-E198 HydrophobicContact CB-CG 4.05Å; T196-E198 PolarHBondContact O-N 2.75Å; E198-L200 PolarHBondContact O-N 2.74Å; E198-W201 WeakPolarHBondContact O-CB 3.35Å; E198-W201 PolarHBondContact O-N 2.89Å
199E97.9Very high94.9Very high0 Ų028.4 Ų28.40%017%0.173CC..G310 helixtrans-53.2-33178.2-70.6179.2176.100112.6R126 L129 V130 E195 T196 C197 W201 T202 P205 P206R126-E199 IonicContact CZ-OE1 2.83Å; R126-E199 IonicContact NH1-OE1 3.52Å; R126-E199 PolarHBondContact NH1-OE1 3.04Å; R126-E199 VanDerWaalsContact NH1-OE1 3.08Å; R126-E199 IonicContact NH1-OE2 3.6Å; R126-E199 IonicContact NH2-OE1 2.87Å; R126-E199 IonicContact NH2-OE2 3.41Å; L129-E199 WeakPolarHBondContact CB-OE1 3.48Å; L129-E199 PolarHBondContact N-OE1 3.31Å; V130-E199 HydrophobicContact CB-CG 4.13Å; V130-E199 HydrophobicContact CG2-CG 4.4Å; E195-E199 WeakPolarHBondContact CA-OE2 3.48Å; E195-E199 HydrophobicContact CB-CB 4.3Å; E195-E199 HydrophobicContact CG-CB 4.35Å; T196-E199 PolarHBondContact N-OE2 2.96Å; T196-E199 WeakPolarHBondContact O-CB 2.92Å; T196-E199 WeakPolarHBondContact O-CG 3.45Å; T196-E199 PolarHBondContact O-N 2.96Å; C197-E199 PolarHBondContact O-N 2.99Å; C197-E199 VanDerWaalsContact O-N 3.11Å; E199-W201 VanDerWaalsContact C-N 3.34Å; E199-W201 PolarHBondContact O-N 3.24Å; E199-T202 PolarHBondContact O-OG1 3.07Å; E199-P205 WeakPolarHBondContact O-CB 3.35Å; E199-P206 HydrophobicContact CB-CG 4.04Å; E199-P206 HydrophobicContact CG-CG 4.25Å; E199-P206 WeakPolarHBondContact O-CD 3.43Å
200L97.7Very high95.7Very high4 Ų423.7 Ų23.72%0.02115%0.151CC..G310 helixtrans-68.1-27.7175.7174.660.4000113.9C197 E198 L237 V238 A241 Y250 Y252C197-L200 PolarHBondContact O-N 2.95Å; E198-L200 PolarHBondContact O-N 2.74Å; L200-L237 HydrophobicContact CD1-CB 4.23Å; L200-L237 HydrophobicContact CD2-CB 4.05Å; L200-L237 HydrophobicContact CG-CB 4.04Å; L200-V238 HydrophobicContact CD2-CG2 3.85Å; L200-A241 HydrophobicContact CD1-CB 3.74Å; L200-Y250 HydrophobicContact CD1-CE2 4.31Å; L200-Y250 HydrophobicContact CD2-CE1 4.31Å; L200-Y252 HydrophobicContact CD2-CD2 4.36Å; L200-Y252 HydrophobicContact CD2-CE2 4.48Å
201W95.5Very high95.9Very high41 Ų4123.7 Ų23.716%0.15515%0.151CC..G310 helixtrans-90.1-10.1-167.7-57.874.4000112.7C197 E198 E199 K230 R233 R234 L237C197-W201 VanDerWaalsContact O-CD1 3.23Å; C197-W201 PolarHBondContact O-NE1 3.25Å; E198-W201 WeakPolarHBondContact O-CB 3.35Å; E198-W201 PolarHBondContact O-N 2.89Å; E199-W201 VanDerWaalsContact C-N 3.34Å; E199-W201 PolarHBondContact O-N 3.24Å; W201-K230 HydrophobicContact CH2-CG 4.33Å; W201-R233 HydrophobicContact CZ3-CG 3.88Å; W201-R234 HydrophobicContact CH2-CB 4.27Å; W201-R234 HydrophobicContact CZ2-CB 4.42Å; W201-R234 HydrophobicContact CZ2-CG 4.41Å; W201-L237 HydrophobicContact CD2-CD1 3.55Å; W201-L237 HydrophobicContact CE3-CD1 3.29Å; W201-L237 HydrophobicContact CG-CD1 4.17Å; W201-L237 HydrophobicContact CH2-CD1 4.04Å; W201-L237 HydrophobicContact CZ2-CD1 4.28Å; W201-L237 HydrophobicContact CZ3-CD1 3.56Å
202T94.5Very high95.8Very high38 Ų3822.9 Ų22.923%0.23315%0.15CC..SBendtrans-74.6162.6-176.970.90000112.8V130 E199 T204 P205V130-T202 HydrophobicContact CB-CG2 4.18Å; V130-T202 HydrophobicContact CG1-CG2 3.71Å; V130-T202 HydrophobicContact CG2-CG2 4.14Å; E199-T202 PolarHBondContact O-OG1 3.07Å; T202-T204 VanDerWaalsContact C-N 3.28Å; T202-T204 PolarHBondContact O-N 3.39Å; T202-P205 WeakPolarHBondContact O-CD 3.25Å; T202-P205 VanDerWaalsContact OG1-CA 3.3Å; T202-P205 WeakPolarHBondContact OG1-CA 3.46Å
203G93.6Very high95.5Very high80 Ų8024 Ų2483%0.82516%0.159SC*.SBendtrans-71.3-19.5177.100000114.6
204T93.5Very high95.1Very high123 Ų12325 Ų2576%0.75517%0.169SC*.SBendtrans-135.267.8177.455.50000109.8T202T202-T204 VanDerWaalsContact C-N 3.28Å; T202-T204 PolarHBondContact O-N 3.39Å
205P96.3Very high94.8Very high13 Ų1325 Ų258%0.08417%0.169CC..  trans-65.9145.9-172.628.7-36.5000111.5E199 T202 H207 I208E199-P205 WeakPolarHBondContact O-CB 3.35Å; T202-P205 WeakPolarHBondContact O-CD 3.25Å; T202-P205 VanDerWaalsContact OG1-CA 3.3Å; T202-P205 WeakPolarHBondContact OG1-CA 3.46Å; P205-H207 VanDerWaalsContact CB-CE1 3.4Å; P205-H207 WeakPolarHBondContact CB-CE1 3.37Å; P205-H207 WeakPolarHBondContact CG-CE1 3.37Å; P205-H207 PolarHBondContact O-N 3.28Å; P205-H207 VanDerWaalsContact O-N 3.09Å; P205-I208 HydrophobicContact CG-CD1 4.03Å; P205-I208 HydrophobicContact CG-CG1 4.14Å; P205-I208 PolarHBondContact O-N 2.76Å; P205-I208 VanDerWaalsContact O-N 3.12Å
206P96.2Very high94.6Very high11 Ų1125.1 Ų25.17%0.07117%0.17CC..Hα-helixtrans-53.8-31.6-175.4-2834.7000115L129 E195 E199 I208 A209 M210L129-P206 HydrophobicContact CD1-CB 4.42Å; L129-P206 HydrophobicContact CD1-CG 4.06Å; E195-P206 HydrophobicContact CG-CB 4.22Å; E195-P206 HydrophobicContact CG-CG 4.47Å; E195-P206 VanDerWaalsContact OE1-CD 3.26Å; E195-P206 WeakPolarHBondContact OE1-CD 3.24Å; E199-P206 HydrophobicContact CB-CG 4.04Å; E199-P206 HydrophobicContact CG-CG 4.25Å; E199-P206 WeakPolarHBondContact O-CD 3.43Å; P206-I208 PolarHBondContact O-N 3.09Å; P206-I208 VanDerWaalsContact O-N 3.12Å; P206-A209 PolarHBondContact O-N 3.46Å; P206-M210 HydrophobicContact CB-CE 3.59Å; P206-M210 WeakPolarHBondContact O-CG 3.45Å; P206-M210 PolarHBondContact O-N 3.17Å
207H96.3Very high94.4Very high9 Ų925 Ų254%0.04217%0.17CC..Hα-helixtrans-59.7-26.1-178.664.8-106.3000112.9E195 P205 M210 Y211 V218 A241 Y250E195-H207 WeakPolarHBondContact OE1-CA 3.16Å; E195-H207 VanDerWaalsContact OE1-CB 3.23Å; E195-H207 WeakPolarHBondContact OE1-CB 3.43Å; E195-H207 IonicContact OE1-CG 2.81Å; E195-H207 PolarHBondContact OE1-N 3.34Å; E195-H207 IonicContact OE1-ND1 3.24Å; E195-H207 PolarHBondContact OE1-ND1 2.76Å; E195-H207 IonicContact OE2-ND1 3.96Å; E195-H207 PolarHBondContact OE2-ND1 3.26Å; P205-H207 VanDerWaalsContact CB-CE1 3.4Å; P205-H207 WeakPolarHBondContact CB-CE1 3.37Å; P205-H207 WeakPolarHBondContact CG-CE1 3.37Å; P205-H207 PolarHBondContact O-N 3.28Å; P205-H207 VanDerWaalsContact O-N 3.09Å; H207-M210 PolarHBondContact O-N 3.14Å; H207-Y211 HydrophobicContact CB-CD2 4.09Å; H207-Y211 HydrophobicContact CB-CE2 3.97Å; H207-Y211 WeakPolarHBondContact O-CB 3.21Å; H207-Y211 WeakPolarHBondContact O-CD2 3.5Å; H207-Y211 PolarHBondContact O-N 3.13Å; H207-V218 HydrophobicContact CB-CB 4.41Å; H207-V218 HydrophobicContact CB-CG1 4.17Å; H207-V218 HydrophobicContact CB-CG2 3.88Å; H207-A241 VanDerWaalsContact CE1-CB 3.46Å; H207-A241 WeakPolarHBondContact CE1-CB 3.14Å; H207-Y250 HydrophobicContact CB-CE2 4.37Å
208I94.2Very high94.5Very high72 Ų7225 Ų2537%0.36917%0.169SC..Hα-helixtrans-57.9-53.3173.7-63.4176.7000108.7P205 P206 M210 A212 N245P205-I208 HydrophobicContact CG-CD1 4.03Å; P205-I208 HydrophobicContact CG-CG1 4.14Å; P205-I208 PolarHBondContact O-N 2.76Å; P205-I208 VanDerWaalsContact O-N 3.12Å; P206-I208 PolarHBondContact O-N 3.09Å; P206-I208 VanDerWaalsContact O-N 3.12Å; I208-M210 PolarHBondContact O-N 3.02Å; I208-A212 WeakPolarHBondContact O-CB 3.42Å; I208-A212 PolarHBondContact O-N 3.09Å; I208-N245 WeakPolarHBondContact CG2-ND2 3.43Å; I208-N245 PolarHBondContact O-ND2 2.99Å
209A92.7Very high94.6Very high34 Ų3423 Ų2328%0.28116%0.16SC..Hα-helixtrans-67.2-36.6179.300000112.1P206 A212 A213 Y333P206-A209 PolarHBondContact O-N 3.46Å; A209-A212 PolarHBondContact O-N 2.61Å; A209-A213 WeakPolarHBondContact O-CB 3.47Å; A209-A213 PolarHBondContact O-N 2.93Å; A209-Y333 HydrophobicContact CB-CE2 3.84Å
210M94.7Very high94.6Very high0 Ų023 Ų230%016%0.16CC..Hα-helixtrans-63.8-47.8177.4-63.4171.4-173.900111.9L194 E195 P206 H207 I208 A213 G214 V215 V218 Y333L194-M210 VanDerWaalsContact O-CE 3.22Å; L194-M210 WeakPolarHBondContact O-CE 3.36Å; E195-M210 HydrophobicContact CG-CE 4.4Å; E195-M210 HydrophobicContact CG-SD 4.47Å; P206-M210 HydrophobicContact CB-CE 3.59Å; P206-M210 WeakPolarHBondContact O-CG 3.45Å; P206-M210 PolarHBondContact O-N 3.17Å; H207-M210 PolarHBondContact O-N 3.14Å; I208-M210 PolarHBondContact O-N 3.02Å; M210-A213 CarbonylContact O-C 3.56Å; M210-A213 WeakPolarHBondContact O-CA 3.36Å; M210-A213 WeakPolarHBondContact O-CB 3.41Å; M210-A213 PolarHBondContact O-N 3.03Å; M210-A213 VanDerWaalsContact O-N 3.09Å; M210-G214 PolarHBondContact O-N 2.94Å; M210-V215 HydrophobicContact CB-CB 4.2Å; M210-V215 HydrophobicContact CB-CG2 4.02Å; M210-V215 VanDerWaalsContact O-CB 3.25Å; M210-V215 WeakPolarHBondContact O-CB 3.35Å; M210-V215 WeakPolarHBondContact O-CG2 3.41Å; M210-V215 PolarHBondContact O-N 3Å; M210-V215 VanDerWaalsContact O-N 3.14Å; M210-V218 HydrophobicContact CB-CG2 4.41Å; M210-V218 HydrophobicContact SD-CG1 4.47Å; M210-V218 HydrophobicContact SD-CG2 4.23Å; M210-Y333 HydrophobicContact CG-CE1 4.4Å; M210-Y333 HydrophobicContact CG-CE2 3.89Å
211Y93.5Very high94.6Very high0 Ų022.9 Ų22.90%016%0.159CC..Hα-helixtrans-64.2-42.1176.4-73.8-50.8000111.2H207 A213 G214 V215 V218 A241 A244 F249 F311H207-Y211 HydrophobicContact CB-CD2 4.09Å; H207-Y211 HydrophobicContact CB-CE2 3.97Å; H207-Y211 WeakPolarHBondContact O-CB 3.21Å; H207-Y211 WeakPolarHBondContact O-CD2 3.5Å; H207-Y211 PolarHBondContact O-N 3.13Å; Y211-A213 PolarHBondContact O-N 3.37Å; Y211-G214 WeakPolarHBondContact O-CA 3.44Å; Y211-G214 PolarHBondContact O-N 2.77Å; Y211-V215 VanDerWaalsContact CD1-O 3.3Å; Y211-V215 WeakPolarHBondContact CD1-O 3.34Å; Y211-V218 HydrophobicContact CE1-CG2 3.98Å; Y211-V218 HydrophobicContact CE2-CG2 4.05Å; Y211-A241 WeakPolarHBondContact CE2-O 3.42Å; Y211-A244 HydrophobicContact CD2-CB 3.89Å; Y211-A244 HydrophobicContact CE2-CB 4.27Å; Y211-F249 PolarHBondContact OH-O 3.15Å; Y211-F249 VanDerWaalsContact OH-O 3.08Å; Y211-F311 VanDerWaalsContact O-CE2 3.27Å; Y211-F311 WeakPolarHBondContact O-CE2 3.22Å
212A90.8Very high94.8Very high13 Ų1320.9 Ų20.911%0.10715%0.152CC..Hα-helixtrans-57.2-37.3171.900000111.7I208 A209 G214 A314 A315I208-A212 WeakPolarHBondContact O-CB 3.42Å; I208-A212 PolarHBondContact O-N 3.09Å; A209-A212 PolarHBondContact O-N 2.61Å; A212-G214 PolarHBondContact O-N 2.81Å; A212-G214 VanDerWaalsContact O-N 3.16Å; A212-A314 HydrophobicContact CB-CB 3.99Å; A212-A315 WeakPolarHBondContact O-CA 3.2Å; A212-A315 WeakPolarHBondContact O-CB 3.27Å
213A90Very high94.9Very high24 Ų2419.1 Ų19.120%0.19814%0.14CC..THydrogen-bonded Turntrans-72.1-0.7174.700000114.7A209 M210 Y211 Y333A209-A213 WeakPolarHBondContact O-CB 3.47Å; A209-A213 PolarHBondContact O-N 2.93Å; M210-A213 CarbonylContact O-C 3.56Å; M210-A213 WeakPolarHBondContact O-CA 3.36Å; M210-A213 WeakPolarHBondContact O-CB 3.41Å; M210-A213 PolarHBondContact O-N 3.03Å; M210-A213 VanDerWaalsContact O-N 3.09Å; Y211-A213 PolarHBondContact O-N 3.37Å; A213-Y333 HydrophobicContact CB-CD2 3.73Å; A213-Y333 HydrophobicContact CB-CG 4.23Å
214G89.6Confident95Very high20 Ų2015.4 Ų15.421%0.20610%0.102CC..THydrogen-bonded Turntrans95.98174.500000115.1Q191 M210 Y211 A212 D216Q191-G214 PolarHBondContact OE1-O 3.08Å; M210-G214 PolarHBondContact O-N 2.94Å; Y211-G214 WeakPolarHBondContact O-CA 3.44Å; Y211-G214 PolarHBondContact O-N 2.77Å; A212-G214 PolarHBondContact O-N 2.81Å; A212-G214 VanDerWaalsContact O-N 3.16Å; G214-D216 PolarHBondContact O-N 2.83Å
215V93.3Very high95.1Very high0 Ų010.5 Ų10.50%07%0.07CC..  trans-55132.2175.3164.70000110.6I178 Q191 M210 Y211 A217 V218 R305I178-V215 HydrophobicContact CB-CG2 3.95Å; I178-V215 HydrophobicContact CD1-CG2 4.19Å; I178-V215 HydrophobicContact CG2-CG2 3.45Å; I178-V215 VanDerWaalsContact CG2-CG2 3.45Å; Q191-V215 HydrophobicContact CB-CG2 4.39Å; M210-V215 HydrophobicContact CB-CB 4.2Å; M210-V215 HydrophobicContact CB-CG2 4.02Å; M210-V215 VanDerWaalsContact O-CB 3.25Å; M210-V215 WeakPolarHBondContact O-CB 3.35Å; M210-V215 WeakPolarHBondContact O-CG2 3.41Å; M210-V215 PolarHBondContact O-N 3Å; M210-V215 VanDerWaalsContact O-N 3.14Å; Y211-V215 VanDerWaalsContact CD1-O 3.3Å; Y211-V215 WeakPolarHBondContact CD1-O 3.34Å; V215-A217 WeakPolarHBondContact CG1-O 3.43Å; V215-V218 HydrophobicContact CG1-CG2 4.05Å; V215-R305 PolarHBondContact O-NH1 3.05Å; V215-R305 PolarHBondContact O-NH2 2.95Å
216D93.1Very high95.1Very high2 Ų212.9 Ų12.91%0.0118%0.08CC..SBendtrans-82-34.6177.5-58.1-70.8000111.9V190 Q191 G214 F249 L298 R302 R305V190-D216 WeakPolarHBondContact CA-OD2 3.43Å; V190-D216 HydrophobicContact CG2-CB 4.24Å; Q191-D216 PolarHBondContact N-OD2 2.94Å; Q191-D216 PolarHBondContact O-N 3.26Å; G214-D216 PolarHBondContact O-N 2.83Å; D216-F249 PolarHBondContact O-N 3.04Å; D216-L298 HydrophobicContact CB-CD2 3.96Å; D216-R302 IonicContact OD1-CZ 3.64Å; D216-R302 IonicContact OD1-NE 3.66Å; D216-R302 PolarHBondContact OD1-NE 3.35Å; D216-R302 IonicContact OD1-NH2 3.99Å; D216-R302 PolarHBondContact OD1-NH2 3.19Å; D216-R302 IonicContact OD2-CZ 3.86Å; D216-R302 IonicContact OD2-NE 3.76Å; D216-R302 IonicContact OD2-NH2 2.74Å; D216-R302 PolarHBondContact OD2-NH2 3.45Å; D216-R305 IonicContact OD1-NH1 3.06Å
217A95.5Very high95Very high0 Ų017.4 Ų17.40%010%0.101CC..EExtended strand (participates in β ladder)trans-135.8138.4-173.600000113F15 Q191 I192 G193 V215 F249F15-A217 HydrophobicContact CE1-CB 4.46Å; Q191-A217 PolarHBondContact O-N 2.73Å; I192-A217 CarbonylContact C-O 3.17Å; I192-A217 VanDerWaalsContact CA-O 3.27Å; I192-A217 WeakPolarHBondContact CA-O 3.37Å; I192-A217 HydrophobicContact CG1-CB 4.46Å; G193-A217 PolarHBondContact N-O 2.74Å; V215-A217 WeakPolarHBondContact CG1-O 3.43Å; A217-F249 CarbonylContact C-O 3.05Å; A217-F249 WeakPolarHBondContact CA-O 3.09Å; A217-F249 HydrophobicContact CB-CB 4.14Å; A217-F249 HydrophobicContact CB-CD1 3.55Å; A217-F249 HydrophobicContact CB-CE1 4.43Å; A217-F249 HydrophobicContact CB-CG 4.27Å
218V98.1Very high94.9Very high0 Ų023.4 Ų23.40%013%0.132CC..EExtended strand (participates in β ladder)trans-113.7127.9168.3177.80000109.3G193 E195 H207 M210 Y211 V215 F249 Y250 A251G193-V218 WeakPolarHBondContact O-CA 3.18Å; E195-V218 HydrophobicContact CB-CG1 4.12Å; E195-V218 HydrophobicContact CG-CG1 3.82Å; H207-V218 HydrophobicContact CB-CB 4.41Å; H207-V218 HydrophobicContact CB-CG1 4.17Å; H207-V218 HydrophobicContact CB-CG2 3.88Å; M210-V218 HydrophobicContact CB-CG2 4.41Å; M210-V218 HydrophobicContact SD-CG1 4.47Å; M210-V218 HydrophobicContact SD-CG2 4.23Å; Y211-V218 HydrophobicContact CE1-CG2 3.98Å; Y211-V218 HydrophobicContact CE2-CG2 4.05Å; V215-V218 HydrophobicContact CG1-CG2 4.05Å; V218-F249 PolarHBondContact N-O 3.29Å; V218-Y250 HydrophobicContact CB-CD2 3.75Å; V218-Y250 HydrophobicContact CB-CE2 3.88Å; V218-Y250 HydrophobicContact CG1-CD2 3.94Å; V218-Y250 HydrophobicContact CG1-CE2 3.51Å; V218-Y250 WeakPolarHBondContact O-CA 3.23Å; V218-A251 PolarHBondContact O-N 3.4Å
219L98.6Very high94.9Very high0 Ų030.1 Ų30.10%015%0.153CC..EExtended strand (participates in β ladder)trans-112120.2-178.7-54.8-178.9000109.4V17 Y50 V52 R114 I192 G193 E195 F249 A251V17-L219 HydrophobicContact CG2-CD1 4.03Å; V17-L219 HydrophobicContact CG2-CD2 4.09Å; Y50-L219 HydrophobicContact CD1-CD1 3.42Å; Y50-L219 VanDerWaalsContact CD1-CD1 3.42Å; Y50-L219 HydrophobicContact CD2-CD1 4.19Å; Y50-L219 HydrophobicContact CE1-CD1 3.33Å; Y50-L219 HydrophobicContact CE2-CD1 4.14Å; Y50-L219 HydrophobicContact CG-CD1 3.88Å; V52-L219 HydrophobicContact CG2-CB 4.44Å; R114-L219 PolarHBondContact NH1-O 2.69Å; R114-L219 PolarHBondContact NH2-O 3.02Å; I192-L219 HydrophobicContact CD1-CD1 4.43Å; I192-L219 HydrophobicContact CG2-CD1 3.75Å; I192-L219 HydrophobicContact CG2-CG 3.81Å; G193-L219 PolarHBondContact O-N 2.77Å; E195-L219 PolarHBondContact N-O 3.38Å; E195-L219 VanDerWaalsContact N-O 3.09Å; L219-F249 HydrophobicContact CD2-CE1 4.27Å; L219-A251 CarbonylContact C-O 3.58Å; L219-A251 HydrophobicContact CD2-CB 3.75Å
220N98.7Very high95Very high0 Ų029.8 Ų29.80%015%0.145CC..EExtended strand (participates in β ladder)trans-102.4122.3-179.1-169.7-52.9000111.7E195 C197 S222 Y250 A251 Y252 T253E195-N220 HydrophobicContact CB-CB 4.45Å; E195-N220 VanDerWaalsContact O-CA 3.24Å; E195-N220 WeakPolarHBondContact O-CA 3.41Å; C197-N220 PolarHBondContact N-OD1 2.95Å; N220-S222 PolarHBondContact OD1-OG 3.14Å; N220-Y250 HydrophobicContact CB-CE1 3.65Å; N220-Y250 WeakPolarHBondContact CB-OH 3.46Å; N220-Y250 PolarHBondContact ND2-OH 3.03Å; N220-A251 PolarHBondContact N-O 3.14Å; N220-Y252 HydrophobicContact CB-CD2 3.86Å; N220-T253 PolarHBondContact O-N 3.4Å
221S98.6Very high95.1Very high0 Ų030.9 Ų30.90%015%0.151CC..EExtended strand (participates in β ladder)trans-99.4122.2172-178.80000108.6G53 P54 E55 E195 T196 C197G53-S221 VanDerWaalsContact O-CB 3.3Å; G53-S221 WeakPolarHBondContact O-CB 3.43Å; G53-S221 PolarHBondContact O-OG 3.11Å; P54-S221 PolarHBondContact O-OG 2.94Å; E55-S221 WeakPolarHBondContact CA-OG 3.25Å; E55-S221 PolarHBondContact N-OG 2.92Å; E195-S221 PolarHBondContact O-N 2.65Å; E195-S221 VanDerWaalsContact O-N 3.13Å; T196-S221 WeakPolarHBondContact CA-O 3.14Å; T196-S221 WeakPolarHBondContact CG2-O 2.93Å; C197-S221 PolarHBondContact N-O 2.84Å
222S98.4Very high95.2Very high0 Ų036.1 Ų36.10%018%0.179CC..  trans-133.4159.3-174.5-71.40000115.1P54 E55 C197 N220 Y252 T253 N254 L255P54-S222 WeakPolarHBondContact CB-O 3.48Å; E55-S222 VanDerWaalsContact CB-C 3.41Å; E55-S222 PolarHBondContact N-O 3.4Å; E55-S222 VanDerWaalsContact N-O 3.14Å; C197-S222 VanDerWaalsContact CA-OG 3.22Å; C197-S222 WeakPolarHBondContact CA-OG 3.42Å; N220-S222 PolarHBondContact OD1-OG 3.14Å; S222-Y252 WeakPolarHBondContact CB-OH 3.48Å; S222-Y252 WeakPolarHBondContact OG-CE2 3.23Å; S222-Y252 PolarHBondContact OG-OH 3.31Å; S222-T253 VanDerWaalsContact CB-O 3.25Å; S222-T253 WeakPolarHBondContact CB-O 3.26Å; S222-T253 PolarHBondContact N-O 2.61Å; S222-N254 WeakPolarHBondContact O-CA 3.3Å; S222-N254 PolarHBondContact O-OD1 2.68Å; S222-L255 PolarHBondContact O-N 3.11Å
223A97.2Very high95.5Very high0 Ų043.1 Ų43.10%020%0.202CC..  trans-130.862.3162.500000109.4E55 Y61 N254 L255 Y265E55-A223 HydrophobicContact CB-CB 3.96Å; E55-A223 HydrophobicContact CG-CB 4.45Å; E55-A223 PolarHBondContact OE2-N 3.38Å; Y61-A223 HydrophobicContact CD1-CB 4.2Å; Y61-A223 HydrophobicContact CD2-CB 3.34Å; Y61-A223 HydrophobicContact CE2-CB 4.06Å; Y61-A223 HydrophobicContact CG-CB 3.42Å; Y61-A223 VanDerWaalsContact CG-CB 3.42Å; A223-N254 VanDerWaalsContact CA-OD1 3.3Å; A223-N254 WeakPolarHBondContact CA-OD1 2.98Å; A223-L255 HydrophobicContact CB-CD1 3.64Å; A223-L255 HydrophobicContact CB-CG 4.09Å; A223-Y265 HydrophobicContact CB-CD1 4.27Å; A223-Y265 HydrophobicContact CB-CE1 3.91Å; A223-Y265 VanDerWaalsContact O-CE1 3.29Å; A223-Y265 WeakPolarHBondContact O-CE1 3.43Å
224S96.2Very high95.8Very high2 Ų242 Ų421%0.01419%0.193CC..  trans-88.1113.3-178.2-172.20000110.6R234 Y252 N254S224-R234 VanDerWaalsContact CB-NH2 3.25Å; S224-R234 PolarHBondContact O-NH2 3.34Å; S224-R234 PolarHBondContact OG-NH2 3.12Å; S224-Y252 WeakPolarHBondContact CB-OH 3.3Å; S224-N254 PolarHBondContact N-OD1 3.17Å; S224-N254 PolarHBondContact O-ND2 2.75Å
225H95.1Very high96.2Very high20 Ų2042.5 Ų42.59%0.09319%0.19CC..BIsolated β-bridgetrans-64.5153.8178.367.7-87.3000112.4H137 K230 A263 C264 Y265H137-H225 AromaticContact CD2-CE1 3.8Å; H137-H225 AromaticContact CD2-ND1 3.92Å; H137-H225 AromaticContact CE1-ND1 3.51Å; H137-H225 AromaticContact NE2-CE1 3.21Å; H137-H225 PolarHBondContact NE2-CE1 2.71Å; H137-H225 AromaticContact NE2-ND1 2.94Å; H137-H225 PolarHBondContact NE2-ND1 3.06Å; H225-K230 PolarHBondContact CE1-NZ 3.24Å; H225-K230 PolarHBondContact O-NZ 2.82Å; H225-A263 HydrophobicContact CB-CB 4.46Å; H225-C264 CarbonylContact C-O 3.5Å; H225-C264 WeakPolarHBondContact CA-O 3.43Å; H225-Y265 HydrophobicContact CB-CD1 4.47Å
226H96.1Very high96.4Very high64 Ų6447.6 Ų47.630%0.29621%0.214SC..  trans-63.1128.3170.4-177.559.2000110.7C264 D266 F284H226-C264 VanDerWaalsContact CB-O 3.3Å; H226-C264 WeakPolarHBondContact CB-O 3.37Å; H226-C264 PolarHBondContact N-O 3.32Å; H226-D266 HydrophobicContact CB-CB 3.95Å; H226-D266 IonicContact ND1-OD2 3.36Å; H226-F284 AromaticContact CE1-CZ 3.76Å; H226-F284 AromaticContact ND1-CZ 3.64Å
227E94.6Very high96.6Very high106 Ų10649.5 Ų49.550%0.49522%0.224SC..  trans-136.9138.8165177-168.1154.800107R229 K230E227-R229 PolarHBondContact O-N 3.03Å; E227-R229 VanDerWaalsContact O-N 3.12Å; E227-K230 HydrophobicContact CB-CB 3.71Å; E227-K230 HydrophobicContact CB-CD 3.67Å; E227-K230 HydrophobicContact CB-CG 4.35Å; E227-K230 HydrophobicContact CG-CB 4.25Å; E227-K230 VanDerWaalsContact O-CB 3.3Å; E227-K230 WeakPolarHBondContact O-CB 3.43Å; E227-K230 PolarHBondContact O-N 3Å; E227-K230 WeakPolarHBondContact OE2-CD 3.32Å
228L94.6Very high96.7Very high134 Ų13449.5 Ų49.570%0.70222%0.224SC*.THydrogen-bonded Turntrans-56.2122.2-174.7-169.968.2000109.9K230L228-K230 PolarHBondContact O-N 2.85Å
229R94.1Very high96.7Very high213 Ų21351.2 Ų51.280%0.80423%0.232SC*.THydrogen-bonded Turntrans69.11.2-177.5-56.5166.2178.6158.9-0.8116.5E227 L231E227-R229 PolarHBondContact O-N 3.03Å; E227-R229 VanDerWaalsContact O-N 3.12Å; R229-L231 VanDerWaalsContact C-N 3.26Å; R229-L231 PolarHBondContact O-N 2.88Å
230K94.9Very high96.6Very high27 Ų2754.6 Ų54.612%0.11726%0.255CS..Hα-helixtrans-64.4-26.6177.3178-178.8177.5-179.20113.8W201 H225 E227 L228 N232 R233 R234W201-K230 HydrophobicContact CH2-CG 4.33Å; H225-K230 PolarHBondContact CE1-NZ 3.24Å; H225-K230 PolarHBondContact O-NZ 2.82Å; E227-K230 HydrophobicContact CB-CB 3.71Å; E227-K230 HydrophobicContact CB-CD 3.67Å; E227-K230 HydrophobicContact CB-CG 4.35Å; E227-K230 HydrophobicContact CG-CB 4.25Å; E227-K230 VanDerWaalsContact O-CB 3.3Å; E227-K230 WeakPolarHBondContact O-CB 3.43Å; E227-K230 PolarHBondContact O-N 3Å; E227-K230 WeakPolarHBondContact OE2-CD 3.32Å; L228-K230 PolarHBondContact O-N 2.85Å; K230-N232 PolarHBondContact O-N 3.35Å; K230-R233 WeakPolarHBondContact O-CB 3.48Å; K230-R233 PolarHBondContact O-N 2.84Å; K230-R234 PolarHBondContact O-N 2.99Å
231L95.8Very high96.6Very high23 Ų2354.6 Ų54.612%0.1226%0.256CS..Hα-helixtrans-55.8-38.8-179.1178.758.8000112.6R229 R233 R234 I235 C268 Q283R229-L231 VanDerWaalsContact C-N 3.26Å; R229-L231 PolarHBondContact O-N 2.88Å; L231-R233 VanDerWaalsContact C-N 3.28Å; L231-R233 PolarHBondContact O-N 2.86Å; L231-R234 WeakPolarHBondContact O-CB 3.48Å; L231-R234 PolarHBondContact O-N 3.18Å; L231-R234 VanDerWaalsContact O-N 3.12Å; L231-I235 HydrophobicContact CD1-CD1 4.36Å; L231-I235 HydrophobicContact CD1-CG1 4.32Å; L231-I235 HydrophobicContact CG-CD1 4.04Å; L231-I235 HydrophobicContact CG-CG1 4.46Å; L231-I235 WeakPolarHBondContact O-CG1 3.44Å; L231-I235 PolarHBondContact O-N 3.16Å; L231-C268 HydrophobicContact CD1-CB 4.04Å; L231-C268 VanDerWaalsContact CD1-SG 3.55Å; L231-Q283 HydrophobicContact CD2-CG 4.38Å
232N96.6Very high96.5Very high110 Ų11054.6 Ų54.659%0.58826%0.256SS*.Hα-helixtrans-60.3-40177.8-71-11.1000111.8K230 I235 E236K230-N232 PolarHBondContact O-N 3.35Å; N232-I235 PolarHBondContact O-N 3.2Å; N232-E236 PolarHBondContact O-N 3.07Å
233R96.3Very high96.2Very high161 Ų16158.5 Ų58.561%0.60828%0.275SS*.Hα-helixtrans-64.2-41.7176-175.1173176.2-169.6-0.9111.3W201 K230 L231 I235 E236 L237W201-R233 HydrophobicContact CZ3-CG 3.88Å; K230-R233 WeakPolarHBondContact O-CB 3.48Å; K230-R233 PolarHBondContact O-N 2.84Å; L231-R233 VanDerWaalsContact C-N 3.28Å; L231-R233 PolarHBondContact O-N 2.86Å; R233-I235 VanDerWaalsContact C-N 3.34Å; R233-I235 PolarHBondContact O-N 2.93Å; R233-E236 PolarHBondContact O-N 3.44Å; R233-L237 HydrophobicContact CG-CD1 4.25Å; R233-L237 WeakPolarHBondContact O-CG 3.33Å; R233-L237 PolarHBondContact O-N 2.81Å
234R97.1Very high96Very high1 Ų159.4 Ų59.40%0.00428%0.282CS..Hα-helixtrans-60.5-43.2175-170.3-171.1-68.1159.16.7111.3W201 S224 K230 L231 L237 V238 Y252 N254 D266 G267W201-R234 HydrophobicContact CH2-CB 4.27Å; W201-R234 HydrophobicContact CZ2-CB 4.42Å; W201-R234 HydrophobicContact CZ2-CG 4.41Å; S224-R234 VanDerWaalsContact CB-NH2 3.25Å; S224-R234 PolarHBondContact O-NH2 3.34Å; S224-R234 PolarHBondContact OG-NH2 3.12Å; K230-R234 PolarHBondContact O-N 2.99Å; L231-R234 WeakPolarHBondContact O-CB 3.48Å; L231-R234 PolarHBondContact O-N 3.18Å; L231-R234 VanDerWaalsContact O-N 3.12Å; R234-L237 PolarHBondContact O-N 2.81Å; R234-V238 WeakPolarHBondContact O-CG2 3.29Å; R234-V238 PolarHBondContact O-N 3.01Å; R234-Y252 HydrophobicContact CG-CE1 4.4Å; R234-Y252 HydrophobicContact CG-CE2 4.46Å; R234-Y252 PolarHBondContact NE-OH 2.84Å; R234-N254 PolarHBondContact NH1-ND2 2.8Å; R234-D266 IonicContact CZ-OD1 3.83Å; R234-D266 IonicContact NH1-OD1 3.08Å; R234-D266 PolarHBondContact NH1-OD1 3.09Å; R234-D266 IonicContact NH1-OD2 2.76Å; R234-D266 IonicContact NH2-OD1 3.94Å; R234-D266 PolarHBondContact NH2-OD1 2.82Å; R234-G267 PolarHBondContact NH1-O 2.69Å
235I97.7Very high95.4Very high29 Ų2961.1 Ų61.115%0.14929%0.291CS..Hα-helixtrans-61-49.4176.9-69.3167.3000111.1L231 N232 R233 L237 V238 K239 L270 V277 L280L231-I235 HydrophobicContact CD1-CD1 4.36Å; L231-I235 HydrophobicContact CD1-CG1 4.32Å; L231-I235 HydrophobicContact CG-CD1 4.04Å; L231-I235 HydrophobicContact CG-CG1 4.46Å; L231-I235 WeakPolarHBondContact O-CG1 3.44Å; L231-I235 PolarHBondContact O-N 3.16Å; N232-I235 PolarHBondContact O-N 3.2Å; R233-I235 VanDerWaalsContact C-N 3.34Å; R233-I235 PolarHBondContact O-N 2.93Å; I235-L237 VanDerWaalsContact C-N 3.34Å; I235-L237 PolarHBondContact O-N 2.71Å; I235-V238 PolarHBondContact O-N 3.27Å; I235-K239 HydrophobicContact CG2-CD 3.87Å; I235-K239 HydrophobicContact CG2-CG 4.36Å; I235-K239 WeakPolarHBondContact O-CB 3.1Å; I235-K239 WeakPolarHBondContact O-CG 3.01Å; I235-K239 PolarHBondContact O-N 2.93Å; I235-L270 HydrophobicContact CB-CD2 4.37Å; I235-L270 HydrophobicContact CG1-CD2 3.92Å; I235-V277 HydrophobicContact CG2-CG2 3.91Å; I235-L280 HydrophobicContact CD1-CD1 4.41Å; I235-L280 HydrophobicContact CD1-CD2 4.36Å; I235-L280 HydrophobicContact CG1-CD1 4.49Å
236E97.5Very high94.8Very high107 Ų10761.1 Ų61.150%0.530%0.297SS..Hα-helixtrans-64-37.6179.9-68.3-56.2157.100112.7N232 R233 K239 S240N232-E236 PolarHBondContact O-N 3.07Å; R233-E236 PolarHBondContact O-N 3.44Å; E236-K239 PolarHBondContact O-N 3.43Å; E236-K239 IonicContact OE1-NZ 3.36Å; E236-K239 IonicContact OE2-NZ 3.52Å; E236-K239 PolarHBondContact OE2-NZ 3.43Å; E236-S240 VanDerWaalsContact O-CB 3.28Å; E236-S240 WeakPolarHBondContact O-CB 2.93Å; E236-S240 PolarHBondContact O-N 3.49Å
237L97.4Very high94.5Very high42 Ų4259 Ų5922%0.2229%0.288CS..Hα-helixtrans-63.7-45.1174.8-74171.8000112L200 W201 R233 R234 I235 S240 A241L200-L237 HydrophobicContact CD1-CB 4.23Å; L200-L237 HydrophobicContact CD2-CB 4.05Å; L200-L237 HydrophobicContact CG-CB 4.04Å; W201-L237 HydrophobicContact CD2-CD1 3.55Å; W201-L237 HydrophobicContact CE3-CD1 3.29Å; W201-L237 HydrophobicContact CG-CD1 4.17Å; W201-L237 HydrophobicContact CH2-CD1 4.04Å; W201-L237 HydrophobicContact CZ2-CD1 4.28Å; W201-L237 HydrophobicContact CZ3-CD1 3.56Å; R233-L237 HydrophobicContact CG-CD1 4.25Å; R233-L237 WeakPolarHBondContact O-CG 3.33Å; R233-L237 PolarHBondContact O-N 2.81Å; R234-L237 PolarHBondContact O-N 2.81Å; I235-L237 VanDerWaalsContact C-N 3.34Å; I235-L237 PolarHBondContact O-N 2.71Å; L237-S240 PolarHBondContact O-N 3.43Å; L237-A241 WeakPolarHBondContact O-CB 3.45Å; L237-A241 PolarHBondContact O-N 3.47Å
238V98Very high94.5Very high0 Ų054 Ų540%026%0.264CS..Hα-helixtrans-66.3-39.6178.4169.20000111.6L200 R234 I235 A241 S242 Y250 Y252 L270 A272L200-V238 HydrophobicContact CD2-CG2 3.85Å; R234-V238 WeakPolarHBondContact O-CG2 3.29Å; R234-V238 PolarHBondContact O-N 3.01Å; I235-V238 PolarHBondContact O-N 3.27Å; V238-A241 PolarHBondContact O-N 3.42Å; V238-S242 PolarHBondContact O-N 2.97Å; V238-Y250 HydrophobicContact CB-CD1 4.36Å; V238-Y250 HydrophobicContact CG1-CD1 3.79Å; V238-Y250 HydrophobicContact CG1-CG 4.4Å; V238-Y250 HydrophobicContact CG2-CD1 4.09Å; V238-Y250 HydrophobicContact CG2-CE1 4.09Å; V238-Y252 HydrophobicContact CG2-CD2 4.3Å; V238-Y252 HydrophobicContact CG2-CG 4.42Å; V238-L270 HydrophobicContact CB-CD2 3.66Å; V238-L270 HydrophobicContact CB-CG 4.25Å; V238-L270 HydrophobicContact CG1-CD2 3.87Å; V238-L270 HydrophobicContact CG1-CG 3.89Å; V238-L270 HydrophobicContact CG2-CD2 3.79Å; V238-L270 HydrophobicContact CG2-CG 4.45Å; V238-A272 HydrophobicContact CG1-CB 3.79Å
239K97.6Very high94.6Very high36 Ų3647.6 Ų47.616%0.15723%0.231CC..Hα-helixtrans-59.7-50.4172.6-74.8174.465.1-134.20111.3I235 E236 A241 S242 M243 D275 V277I235-K239 HydrophobicContact CG2-CD 3.87Å; I235-K239 HydrophobicContact CG2-CG 4.36Å; I235-K239 WeakPolarHBondContact O-CB 3.1Å; I235-K239 WeakPolarHBondContact O-CG 3.01Å; I235-K239 PolarHBondContact O-N 2.93Å; E236-K239 PolarHBondContact O-N 3.43Å; E236-K239 IonicContact OE1-NZ 3.36Å; E236-K239 IonicContact OE2-NZ 3.52Å; E236-K239 PolarHBondContact OE2-NZ 3.43Å; K239-A241 PolarHBondContact O-N 3.46Å; K239-S242 PolarHBondContact O-N 3.29Å; K239-S242 VanDerWaalsContact O-N 3.14Å; K239-S242 PolarHBondContact O-OG 3.36Å; K239-M243 PolarHBondContact O-N 3.03Å; K239-D275 WeakPolarHBondContact CB-OD1 3.32Å; K239-D275 WeakPolarHBondContact CE-O 3.46Å; K239-D275 WeakPolarHBondContact CE-OD1 3.35Å; K239-D275 WeakPolarHBondContact CG-O 2.99Å; K239-D275 IonicContact NZ-OD1 2.84Å; K239-D275 PolarHBondContact NZ-OD1 2.94Å; K239-V277 HydrophobicContact CD-CG2 3.95Å; K239-V277 HydrophobicContact CG-CG2 3.76Å
240S96.7Very high94.8Very high71 Ų7137.4 Ų37.450%0.49719%0.193SC..Hα-helixtrans-58.7-46.3177.6-172.90000112.1E236 L237 S242 M243 A244E236-S240 VanDerWaalsContact O-CB 3.28Å; E236-S240 WeakPolarHBondContact O-CB 2.93Å; E236-S240 PolarHBondContact O-N 3.49Å; L237-S240 PolarHBondContact O-N 3.43Å; S240-S242 VanDerWaalsContact C-N 3.29Å; S240-S242 PolarHBondContact O-N 2.65Å; S240-M243 PolarHBondContact O-N 3.45Å; S240-A244 PolarHBondContact O-N 2.96Å
241A97.6Very high94.9Very high1 Ų136.1 Ų36.11%0.00819%0.187CC..Hα-helixtrans-60.2-38.2176.600000112L200 H207 Y211 L237 V238 K239 M243 A244 Y250L200-A241 HydrophobicContact CD1-CB 3.74Å; H207-A241 VanDerWaalsContact CE1-CB 3.46Å; H207-A241 WeakPolarHBondContact CE1-CB 3.14Å; Y211-A241 WeakPolarHBondContact CE2-O 3.42Å; L237-A241 WeakPolarHBondContact O-CB 3.45Å; L237-A241 PolarHBondContact O-N 3.47Å; V238-A241 PolarHBondContact O-N 3.42Å; K239-A241 PolarHBondContact O-N 3.46Å; A241-M243 PolarHBondContact O-N 3.14Å; A241-A244 WeakPolarHBondContact O-CB 3.48Å; A241-A244 PolarHBondContact O-N 3.15Å; A241-A244 VanDerWaalsContact O-N 3.15Å; A241-Y250 HydrophobicContact CB-CD2 3.47Å; A241-Y250 VanDerWaalsContact CB-CD2 3.47Å; A241-Y250 HydrophobicContact CB-CE2 3.67Å; A241-Y250 HydrophobicContact CB-CG 4.02Å
242S96.4Very high95.1Very high0 Ų035 Ų350%018%0.181CC..Hα-helixtrans-67.6-14.6176.578.70000114.7V238 K239 S240 D247 G248 S274 D275V238-S242 PolarHBondContact O-N 2.97Å; K239-S242 PolarHBondContact O-N 3.29Å; K239-S242 VanDerWaalsContact O-N 3.14Å; K239-S242 PolarHBondContact O-OG 3.36Å; S240-S242 VanDerWaalsContact C-N 3.29Å; S240-S242 PolarHBondContact O-N 2.65Å; S242-D247 CarbonylContact O-C 3.5Å; S242-G248 PolarHBondContact O-N 3.24Å; S242-S274 PolarHBondContact O-N 2.9Å; S242-S274 PolarHBondContact OG-N 3.43Å; S242-D275 PolarHBondContact OG-N 2.99Å
243M93.8Very high95.1Very high82 Ų8229.8 Ų29.840%0.40415%0.153SC..Hα-helixtrans-96.2-12.8173.2-69.5-170.2-76.900113.5K239 S240 A241 N245 G246 D275K239-M243 PolarHBondContact O-N 3.03Å; S240-M243 PolarHBondContact O-N 3.45Å; A241-M243 PolarHBondContact O-N 3.14Å; M243-N245 PolarHBondContact O-N 3.25Å; M243-G246 PolarHBondContact O-N 3.33Å; M243-G246 VanDerWaalsContact O-N 3.12Å; M243-D275 HydrophobicContact CE-CB 4Å; M243-D275 WeakPolarHBondContact CE-OD1 3.32Å; M243-D275 HydrophobicContact CG-CB 3.69Å; M243-D275 HydrophobicContact SD-CB 3.52Å; M243-D275 VanDerWaalsContact SD-CB 3.52Å
244A91.4Very high95.2Very high19 Ų1922.1 Ų22.116%0.15712%0.124CC..G310 helixtrans-58.7135.5-172.700000111.3Y211 S240 A241 G246Y211-A244 HydrophobicContact CD2-CB 3.89Å; Y211-A244 HydrophobicContact CE2-CB 4.27Å; S240-A244 PolarHBondContact O-N 2.96Å; A241-A244 WeakPolarHBondContact O-CB 3.48Å; A241-A244 PolarHBondContact O-N 3.15Å; A241-A244 VanDerWaalsContact O-N 3.15Å; A244-G246 VanDerWaalsContact C-N 3.29Å; A244-G246 PolarHBondContact O-N 3.47Å
245N83.5Confident95.3Very high37 Ų3722.1 Ų22.120%0.19812%0.124CC..G310 helixtrans49.149.3-173.4-74.1-48.3000113I208 M243 D247 F311I208-N245 WeakPolarHBondContact CG2-ND2 3.43Å; I208-N245 PolarHBondContact O-ND2 2.99Å; M243-N245 PolarHBondContact O-N 3.25Å; N245-D247 PolarHBondContact O-N 2.79Å; N245-F311 HydrophobicContact CB-CD2 4.23Å; N245-F311 VanDerWaalsContact O-CB 3.29Å; N245-F311 WeakPolarHBondContact O-CB 3.33Å; N245-F311 WeakPolarHBondContact O-CD2 3.45Å; N245-F311 WeakPolarHBondContact O-CG 3.3Å
246G82.6Confident95.2Very high21 Ų2121.7 Ų21.722%0.21612%0.121CC..G310 helixtrans95-35.8163.100000115.3M243 A244 S308M243-G246 PolarHBondContact O-N 3.33Å; M243-G246 VanDerWaalsContact O-N 3.12Å; A244-G246 VanDerWaalsContact C-N 3.29Å; A244-G246 PolarHBondContact O-N 3.47Å; G246-S308 WeakPolarHBondContact CA-OG 3.15Å
247D90.7Very high95.2Very high19 Ų1917.4 Ų17.410%0.10211%0.106CC..  trans173.4153.9167.8-95.2-28.4000111.5S242 N245 S274 R304 R305S242-D247 CarbonylContact O-C 3.5Å; N245-D247 PolarHBondContact O-N 2.79Å; D247-S274 WeakPolarHBondContact OD1-CA 3.41Å; D247-S274 WeakPolarHBondContact OD1-CB 3.44Å; D247-S274 PolarHBondContact OD1-OG 2.89Å; D247-S274 PolarHBondContact OD2-OG 3.28Å; D247-S274 VanDerWaalsContact OD2-OG 3.08Å; D247-R304 HydrophobicContact CB-CB 4.46Å; D247-R304 WeakPolarHBondContact OD2-CB 3.48Å; D247-R304 WeakPolarHBondContact OD2-CD 3.14Å; D247-R304 IonicContact OD2-CZ 3.41Å; D247-R304 IonicContact OD2-NE 3.47Å; D247-R304 PolarHBondContact OD2-NE 3.37Å; D247-R305 HydrophobicContact CB-CG 4.3Å; D247-R305 PolarHBondContact O-NE 2.85Å; D247-R305 PolarHBondContact O-NH2 3.48Å
248G93.8Very high95.1Very high0 Ų019.3 Ų19.30%012%0.121CC..  trans-167.8171175.100000112.9S242 V273 S274S242-G248 PolarHBondContact O-N 3.24Å; G248-V273 WeakPolarHBondContact O-CA 3.29Å; G248-S274 PolarHBondContact O-N 3.16Å
249F96.6Very high94.9Very high0 Ų019.4 Ų19.40%012%0.122CC..EExtended strand (participates in β ladder)trans-99.3121.8167.5170.6-133.6000109.4F15 V17 Y211 D216 A217 V218 L219 A251 A271 A272 V273 I278 V294 V296 L301F15-F249 HydrophobicContact CD1-CD1 4.36Å; F15-F249 HydrophobicContact CD1-CE1 4.26Å; F15-F249 HydrophobicContact CE1-CD1 4.48Å; F15-F249 HydrophobicContact CE1-CE1 4.18Å; V17-F249 HydrophobicContact CG1-CE1 3.56Å; V17-F249 HydrophobicContact CG1-CZ 3.57Å; Y211-F249 PolarHBondContact OH-O 3.15Å; Y211-F249 VanDerWaalsContact OH-O 3.08Å; D216-F249 PolarHBondContact O-N 3.04Å; A217-F249 CarbonylContact C-O 3.05Å; A217-F249 WeakPolarHBondContact CA-O 3.09Å; A217-F249 HydrophobicContact CB-CB 4.14Å; A217-F249 HydrophobicContact CB-CD1 3.55Å; A217-F249 HydrophobicContact CB-CE1 4.43Å; A217-F249 HydrophobicContact CB-CG 4.27Å; V218-F249 PolarHBondContact N-O 3.29Å; L219-F249 HydrophobicContact CD2-CE1 4.27Å; F249-A251 HydrophobicContact CE1-CB 4.28Å; F249-A251 HydrophobicContact CE2-CB 4.09Å; F249-A251 HydrophobicContact CZ-CB 3.7Å; F249-A271 HydrophobicContact CE2-CB 3.74Å; F249-A271 HydrophobicContact CZ-CB 4.31Å; F249-A272 WeakPolarHBondContact CD2-O 3.22Å; F249-V273 HydrophobicContact CB-CG2 4.12Å; F249-V273 HydrophobicContact CD2-CG2 3.69Å; F249-V273 HydrophobicContact CG-CG2 4.3Å; F249-I278 HydrophobicContact CD2-CD1 4.42Å; F249-I278 HydrophobicContact CE2-CD1 4.1Å; F249-V294 HydrophobicContact CE2-CG1 4.08Å; F249-V294 HydrophobicContact CZ-CB 4.39Å; F249-V294 HydrophobicContact CZ-CG1 4.08Å; F249-V296 HydrophobicContact CB-CG2 4.36Å; F249-V296 HydrophobicContact CD1-CG1 4.34Å; F249-V296 HydrophobicContact CD1-CG2 3.77Å; F249-V296 HydrophobicContact CD2-CG1 3.77Å; F249-V296 HydrophobicContact CE1-CG1 4.48Å; F249-V296 HydrophobicContact CE1-CG2 4.19Å; F249-V296 HydrophobicContact CE2-CG1 3.89Å; F249-V296 HydrophobicContact CG-CG1 4.01Å; F249-V296 HydrophobicContact CG-CG2 4.01Å; F249-V296 HydrophobicContact CZ-CG1 4.25Å; F249-L301 HydrophobicContact CB-CD1 3.92Å
250Y98.4Very high94.7Very high0 Ų019.1 Ų19.10%012%0.124CC..EExtended strand (participates in β ladder)trans-116.3129.3174.1-159.7-76.2000109.2E195 L200 H207 V218 N220 V238 A241 A271 A272E195-Y250 VanDerWaalsContact OE2-CE2 3.23Å; E195-Y250 WeakPolarHBondContact OE2-CE2 3.39Å; E195-Y250 VanDerWaalsContact OE2-CZ 3.26Å; E195-Y250 PolarHBondContact OE2-OH 3.13Å; L200-Y250 HydrophobicContact CD1-CE2 4.31Å; L200-Y250 HydrophobicContact CD2-CE1 4.31Å; H207-Y250 HydrophobicContact CB-CE2 4.37Å; V218-Y250 HydrophobicContact CB-CD2 3.75Å; V218-Y250 HydrophobicContact CB-CE2 3.88Å; V218-Y250 HydrophobicContact CG1-CD2 3.94Å; V218-Y250 HydrophobicContact CG1-CE2 3.51Å; V218-Y250 WeakPolarHBondContact O-CA 3.23Å; N220-Y250 HydrophobicContact CB-CE1 3.65Å; N220-Y250 WeakPolarHBondContact CB-OH 3.46Å; N220-Y250 PolarHBondContact ND2-OH 3.03Å; V238-Y250 HydrophobicContact CB-CD1 4.36Å; V238-Y250 HydrophobicContact CG1-CD1 3.79Å; V238-Y250 HydrophobicContact CG1-CG 4.4Å; V238-Y250 HydrophobicContact CG2-CD1 4.09Å; V238-Y250 HydrophobicContact CG2-CE1 4.09Å; A241-Y250 HydrophobicContact CB-CD2 3.47Å; A241-Y250 VanDerWaalsContact CB-CD2 3.47Å; A241-Y250 HydrophobicContact CB-CE2 3.67Å; A241-Y250 HydrophobicContact CB-CG 4.02Å; Y250-A271 CarbonylContact O-C 3.52Å; Y250-A271 WeakPolarHBondContact O-CA 3.13Å; Y250-A272 PolarHBondContact N-O 3.33Å; Y250-A272 PolarHBondContact O-N 3.09Å
251A98.3Very high94.3Very high0 Ų019.4 Ų19.40%014%0.139CC..EExtended strand (participates in β ladder)trans-127147.1173.800000110.8L19 V218 L219 N220 F249 L270 A271L19-A251 HydrophobicContact CD1-CB 4.22Å; L19-A251 HydrophobicContact CD2-CB 3.55Å; V218-A251 PolarHBondContact O-N 3.4Å; L219-A251 CarbonylContact C-O 3.58Å; L219-A251 HydrophobicContact CD2-CB 3.75Å; N220-A251 PolarHBondContact N-O 3.14Å; F249-A251 HydrophobicContact CE1-CB 4.28Å; F249-A251 HydrophobicContact CE2-CB 4.09Å; F249-A251 HydrophobicContact CZ-CB 3.7Å; A251-L270 CarbonylContact C-O 3.54Å; A251-L270 WeakPolarHBondContact CA-O 3.42Å; A251-A271 HydrophobicContact CB-CB 4.18Å
252Y98.3Very high94.1Very high0 Ų030.6 Ų30.60%018%0.181CC..EExtended strand (participates in β ladder)trans-134.6133.3-172-177.2-82.4000108.5L200 N220 S222 S224 R234 V238 N254 A269 L270L200-Y252 HydrophobicContact CD2-CD2 4.36Å; L200-Y252 HydrophobicContact CD2-CE2 4.48Å; N220-Y252 HydrophobicContact CB-CD2 3.86Å; S222-Y252 WeakPolarHBondContact CB-OH 3.48Å; S222-Y252 WeakPolarHBondContact OG-CE2 3.23Å; S222-Y252 PolarHBondContact OG-OH 3.31Å; S224-Y252 WeakPolarHBondContact CB-OH 3.3Å; R234-Y252 HydrophobicContact CG-CE1 4.4Å; R234-Y252 HydrophobicContact CG-CE2 4.46Å; R234-Y252 PolarHBondContact NE-OH 2.84Å; V238-Y252 HydrophobicContact CG2-CD2 4.3Å; V238-Y252 HydrophobicContact CG2-CG 4.42Å; Y252-N254 HydrophobicContact CE1-CB 4Å; Y252-A269 CarbonylContact O-C 3.59Å; Y252-A269 WeakPolarHBondContact O-CA 3.43Å; Y252-A269 WeakPolarHBondContact O-CB 3.46Å; Y252-L270 PolarHBondContact N-O 3.29Å; Y252-L270 PolarHBondContact O-N 2.81Å
253T98.2Very high94Very high0 Ų031.6 Ų31.60%019%0.189CC..EExtended strand (participates in β ladder)trans-130159.6171.7-158.20000111.1C20 V52 G53 N220 S222C20-T253 PolarHBondContact N-OG1 3.25Å; C20-T253 PolarHBondContact O-OG1 2.85Å; V52-T253 HydrophobicContact CG1-CG2 4.24Å; V52-T253 HydrophobicContact CG2-CG2 3.95Å; G53-T253 WeakPolarHBondContact O-CG2 3.1Å; N220-T253 PolarHBondContact O-N 3.4Å; S222-T253 VanDerWaalsContact CB-O 3.25Å; S222-T253 WeakPolarHBondContact CB-O 3.26Å; S222-T253 PolarHBondContact N-O 2.61Å
254N98.2Very high94Very high0 Ų029.9 Ų29.90%019%0.185CC..  trans-145.9161-170.3-158.214.7000112.5V21 P54 S222 A223 S224 R234 Y252 D266 G267V21-N254 WeakPolarHBondContact CA-O 3.36Å; P54-N254 VanDerWaalsContact CG-O 3.26Å; P54-N254 WeakPolarHBondContact CG-O 3.27Å; S222-N254 WeakPolarHBondContact O-CA 3.3Å; S222-N254 PolarHBondContact O-OD1 2.68Å; A223-N254 VanDerWaalsContact CA-OD1 3.3Å; A223-N254 WeakPolarHBondContact CA-OD1 2.98Å; S224-N254 PolarHBondContact N-OD1 3.17Å; S224-N254 PolarHBondContact O-ND2 2.75Å; R234-N254 PolarHBondContact NH1-ND2 2.8Å; Y252-N254 HydrophobicContact CE1-CB 4Å; N254-D266 PolarHBondContact ND2-OD1 2.68Å; N254-G267 WeakPolarHBondContact CB-O 3.22Å; N254-G267 PolarHBondContact ND2-O 2.74Å; N254-G267 VanDerWaalsContact ND2-O 3.17Å
255L97.8Very high94.3Very high1 Ų129.3 Ų29.31%0.00518%0.179CC..BIsolated β-bridgetrans-65.9160.4160.9-70.8178.6000110.8L22 Q24 P54 S222 A223 Y265 G267L22-L255 CarbonylContact O-C 3.58Å; L22-L255 WeakPolarHBondContact O-CA 3.47Å; Q24-L255 HydrophobicContact CB-CD2 3.9Å; Q24-L255 HydrophobicContact CG-CD2 3.71Å; P54-L255 HydrophobicContact CB-CB 4.5Å; P54-L255 HydrophobicContact CB-CD2 3.55Å; P54-L255 HydrophobicContact CB-CG 3.73Å; P54-L255 HydrophobicContact CG-CD2 3.97Å; P54-L255 HydrophobicContact CG-CG 4.48Å; S222-L255 PolarHBondContact O-N 3.11Å; A223-L255 HydrophobicContact CB-CD1 3.64Å; A223-L255 HydrophobicContact CB-CG 4.09Å; L255-Y265 VanDerWaalsContact C-CB 3.46Å; L255-Y265 HydrophobicContact CB-CD1 3.99Å; L255-Y265 HydrophobicContact CB-CD2 4.03Å; L255-Y265 HydrophobicContact CB-CG 3.63Å; L255-Y265 HydrophobicContact CD1-CD1 4.37Å; L255-Y265 HydrophobicContact CD1-CD2 4.37Å; L255-Y265 HydrophobicContact CD1-CE1 4.26Å; L255-Y265 HydrophobicContact CD1-CE2 4.32Å; L255-Y265 HydrophobicContact CD1-CG 4.43Å; L255-Y265 WeakPolarHBondContact O-CB 3.46Å; L255-G267 VanDerWaalsContact O-CA 3.26Å; L255-G267 WeakPolarHBondContact O-CA 3.1Å; L255-G267 PolarHBondContact O-N 2.76Å
256R96.8Very high94.9Very high19 Ų1927.6 Ų27.67%0.07217%0.169CC..EExtended strand (participates in β ladder)trans-132.1152.9169.7176169.770.1-161.9-8110.1V21 L22 N23 Y265 G285 G287V21-R256 HydrophobicContact CG1-CB 3.45Å; V21-R256 VanDerWaalsContact CG1-CB 3.45Å; V21-R256 HydrophobicContact CG1-CG 4.42Å; L22-R256 PolarHBondContact O-N 3.19Å; N23-R256 VanDerWaalsContact CA-O 3.31Å; N23-R256 WeakPolarHBondContact CA-O 3.47Å; N23-R256 PolarHBondContact OD1-O 3.16Å; R256-Y265 CarbonylContact C-O 3.51Å; R256-Y265 VanDerWaalsContact CA-O 3.3Å; R256-Y265 WeakPolarHBondContact CA-O 3.34Å; R256-G285 VanDerWaalsContact CD-O 3.29Å; R256-G285 WeakPolarHBondContact CD-O 3.29Å; R256-G285 PolarHBondContact NE-O 2.87Å; R256-G287 VanDerWaalsContact CZ-O 3.26Å; R256-G287 PolarHBondContact NE-O 2.9Å; R256-G287 PolarHBondContact NH2-O 2.79Å
257G96.4Very high95.5Very high18 Ų1826.6 Ų26.619%0.18616%0.159CC..EExtended strand (participates in β ladder)trans84-156.6173.900000112C264 Y265G257-C264 CarbonylContact O-C 3.51Å; G257-C264 WeakPolarHBondContact O-CA 3.29Å; G257-Y265 PolarHBondContact N-O 2.91Å; G257-Y265 WeakPolarHBondContact O-CD2 3.33Å; G257-Y265 PolarHBondContact O-N 2.97Å
258C95.3Very high95.8Very high81 Ų8125.8 Ų25.855%0.54716%0.155SC..  trans-116.6113-179.6-58.20000108
259D95.2Very high96Very high2 Ų225.8 Ų25.81%0.01116%0.155CC..  trans-91.3-26.5-177.280.7-25.4000113.6Q24 A26 S60 Y61 G62 Y265Q24-D259 WeakPolarHBondContact O-CA 3.49Å; Q24-D259 WeakPolarHBondContact O-CB 3.35Å; A26-D259 WeakPolarHBondContact CB-O 3.16Å; A26-D259 PolarHBondContact N-O 3.48Å; S60-D259 WeakPolarHBondContact CB-OD2 3.37Å; S60-D259 WeakPolarHBondContact OG-CB 3.35Å; S60-D259 VanDerWaalsContact OG-CG 3.31Å; S60-D259 PolarHBondContact OG-OD2 3.31Å; Y61-D259 PolarHBondContact N-OD2 2.95Å; Y61-D259 VanDerWaalsContact N-OD2 3.09Å; G62-D259 PolarHBondContact N-OD2 2.69Å; D259-Y265 HydrophobicContact CB-CE2 3.98Å; D259-Y265 WeakPolarHBondContact OD1-CE2 3.47Å; D259-Y265 PolarHBondContact OD1-OH 2.49Å
260S92.8Very high96Very high30 Ų3025.9 Ų25.921%0.2116%0.155CC..SBendtrans-166.3167.2169.478.60000110G62 R262G62-S260 WeakPolarHBondContact CA-OG 3.48Å; G62-S260 WeakPolarHBondContact O-CB 3.38Å; G62-S260 PolarHBondContact O-OG 3.28Å; S260-R262 PolarHBondContact O-N 3.08Å
261G89.2Confident96Very high78 Ų7825.9 Ų25.980%0.80416%0.155SC*.THydrogen-bonded Turntrans55-126.1170.300000113.5
262R92.4Very high96Very high236 Ų23625.9 Ų25.989%0.89116%0.155SC*.THydrogen-bonded Turntrans-119.4-3.4-172.860.3175.961.5-175.6-1.9114.3S260S260-R262 PolarHBondContact O-N 3.08Å
263A93.4Very high95.9Very high21 Ų2126.6 Ų26.617%0.17416%0.16CC..  trans-78.5137.9178.500000109.5H225H225-A263 HydrophobicContact CB-CB 4.46Å
264C95.5Very high95.6Very high46 Ų4627.7 Ų27.731%0.31117%0.167SC..  trans-117.5130.1171.5178.60000107.6H225 H226 G257H225-C264 CarbonylContact C-O 3.5Å; H225-C264 WeakPolarHBondContact CA-O 3.43Å; H226-C264 VanDerWaalsContact CB-O 3.3Å; H226-C264 WeakPolarHBondContact CB-O 3.37Å; H226-C264 PolarHBondContact N-O 3.32Å; G257-C264 CarbonylContact O-C 3.51Å; G257-C264 WeakPolarHBondContact O-CA 3.29Å
265Y97.1Very high95.3Very high6 Ų630.7 Ų30.72%0.02418%0.183CC..EExtended strand (participates in β ladder)trans-97.1135.2175.4-49.8-93.1000109.2Y61 A223 H225 L255 R256 G257 D259Y61-Y265 HydrophobicContact CD1-CE1 4.27Å; Y61-Y265 VanDerWaalsContact CD1-OH 3.3Å; Y61-Y265 WeakPolarHBondContact CD1-OH 3.11Å; A223-Y265 HydrophobicContact CB-CD1 4.27Å; A223-Y265 HydrophobicContact CB-CE1 3.91Å; A223-Y265 VanDerWaalsContact O-CE1 3.29Å; A223-Y265 WeakPolarHBondContact O-CE1 3.43Å; H225-Y265 HydrophobicContact CB-CD1 4.47Å; L255-Y265 VanDerWaalsContact C-CB 3.46Å; L255-Y265 HydrophobicContact CB-CD1 3.99Å; L255-Y265 HydrophobicContact CB-CD2 4.03Å; L255-Y265 HydrophobicContact CB-CG 3.63Å; L255-Y265 HydrophobicContact CD1-CD1 4.37Å; L255-Y265 HydrophobicContact CD1-CD2 4.37Å; L255-Y265 HydrophobicContact CD1-CE1 4.26Å; L255-Y265 HydrophobicContact CD1-CE2 4.32Å; L255-Y265 HydrophobicContact CD1-CG 4.43Å; L255-Y265 WeakPolarHBondContact O-CB 3.46Å; R256-Y265 CarbonylContact C-O 3.51Å; R256-Y265 VanDerWaalsContact CA-O 3.3Å; R256-Y265 WeakPolarHBondContact CA-O 3.34Å; G257-Y265 PolarHBondContact N-O 2.91Å; G257-Y265 WeakPolarHBondContact O-CD2 3.33Å; G257-Y265 PolarHBondContact O-N 2.97Å; D259-Y265 HydrophobicContact CB-CE2 3.98Å; D259-Y265 WeakPolarHBondContact OD1-CE2 3.47Å; D259-Y265 PolarHBondContact OD1-OH 2.49Å
266D96.2Very high95.3Very high1 Ų137.1 Ų37.11%0.00521%0.214CC..EExtended strand (participates in β ladder)trans-10326.7-168.271.1-17.9000113.5H226 R234 N254 C268 Q283 F284H226-D266 HydrophobicContact CB-CB 3.95Å; H226-D266 IonicContact ND1-OD2 3.36Å; R234-D266 IonicContact CZ-OD1 3.83Å; R234-D266 IonicContact NH1-OD1 3.08Å; R234-D266 PolarHBondContact NH1-OD1 3.09Å; R234-D266 IonicContact NH1-OD2 2.76Å; R234-D266 IonicContact NH2-OD1 3.94Å; R234-D266 PolarHBondContact NH2-OD1 2.82Å; N254-D266 PolarHBondContact ND2-OD1 2.68Å; D266-C268 WeakPolarHBondContact O-CB 3.28Å; D266-C268 PolarHBondContact O-N 3.08Å; D266-Q283 CarbonylContact C-O 3.55Å; D266-Q283 HydrophobicContact CB-CG 3.67Å; D266-Q283 CarbonylContact O-C 3.47Å; D266-Q283 VanDerWaalsContact O-CA 3.27Å; D266-Q283 WeakPolarHBondContact O-CA 3.5Å; D266-Q283 VanDerWaalsContact O-CG 3.31Å; D266-Q283 WeakPolarHBondContact O-CG 3.09Å; D266-Q283 PolarHBondContact OD2-NE2 2.67Å; D266-F284 HydrophobicContact CB-CD1 4.27Å; D266-F284 HydrophobicContact CB-CE1 3.65Å; D266-F284 HydrophobicContact CB-CZ 4.19Å
267G95.9Very high95.3Very high0 Ų039.1 Ų39.10%023%0.228CC..  trans49.4-116.6176.200000111.6R234 N254 L255R234-G267 PolarHBondContact NH1-O 2.69Å; N254-G267 WeakPolarHBondContact CB-O 3.22Å; N254-G267 PolarHBondContact ND2-O 2.74Å; N254-G267 VanDerWaalsContact ND2-O 3.17Å; L255-G267 VanDerWaalsContact O-CA 3.26Å; L255-G267 WeakPolarHBondContact O-CA 3.1Å; L255-G267 PolarHBondContact O-N 2.76Å
268C95.8Very high95.4Very high2 Ų242 Ų421%0.01424%0.238CC..  trans58.454175.3-148.60000112.5L231 D266 L270 L280 S281 P282 Q283L231-C268 HydrophobicContact CD1-CB 4.04Å; L231-C268 VanDerWaalsContact CD1-SG 3.55Å; D266-C268 WeakPolarHBondContact O-CB 3.28Å; D266-C268 PolarHBondContact O-N 3.08Å; C268-L270 PolarHBondContact O-N 2.84Å; C268-L280 WeakPolarHBondContact SG-CD1 3.45Å; C268-S281 WeakPolarHBondContact CA-OG 3.07Å; C268-S281 PolarHBondContact SG-O 2.9Å; C268-P282 PolarHBondContact N-O 3.34Å; C268-Q283 HydrophobicContact CB-CB 4.43Å; C268-Q283 HydrophobicContact CB-CG 4.49Å
269A97.5Very high95.5Very high1 Ų140.1 Ų40.11%0.00822%0.221CC..  trans-52.7137162.100000109.9L19 V21 Y252 F279 S281L19-A269 HydrophobicContact CB-CB 3.9Å; L19-A269 HydrophobicContact CD1-CB 4.39Å; V21-A269 HydrophobicContact CG2-CB 3.58Å; Y252-A269 CarbonylContact O-C 3.59Å; Y252-A269 WeakPolarHBondContact O-CA 3.43Å; Y252-A269 WeakPolarHBondContact O-CB 3.46Å; A269-F279 HydrophobicContact CB-CE1 4.46Å; A269-S281 WeakPolarHBondContact CA-OG 3.4Å; A269-S281 WeakPolarHBondContact CB-OG 3.15Å; A269-S281 PolarHBondContact N-OG 2.91Å; A269-S281 PolarHBondContact O-N 2.93Å; A269-S281 PolarHBondContact O-OG 3.47Å
270L98Very high95.6Very high1 Ų144.1 Ų44.11%0.00524%0.241CC..EExtended strand (participates in β ladder)trans-141.7142.1-165.9168.958.8000108.8I235 V238 A251 Y252 C268 V277 F279 L280I235-L270 HydrophobicContact CB-CD2 4.37Å; I235-L270 HydrophobicContact CG1-CD2 3.92Å; V238-L270 HydrophobicContact CB-CD2 3.66Å; V238-L270 HydrophobicContact CB-CG 4.25Å; V238-L270 HydrophobicContact CG1-CD2 3.87Å; V238-L270 HydrophobicContact CG1-CG 3.89Å; V238-L270 HydrophobicContact CG2-CD2 3.79Å; V238-L270 HydrophobicContact CG2-CG 4.45Å; A251-L270 CarbonylContact C-O 3.54Å; A251-L270 WeakPolarHBondContact CA-O 3.42Å; Y252-L270 PolarHBondContact N-O 3.29Å; Y252-L270 PolarHBondContact O-N 2.81Å; C268-L270 PolarHBondContact O-N 2.84Å; L270-V277 HydrophobicContact CD1-CB 4.36Å; L270-V277 HydrophobicContact CD1-CG1 3.52Å; L270-V277 HydrophobicContact CD1-CG2 4.02Å; L270-F279 WeakPolarHBondContact CA-O 3.42Å; L270-F279 WeakPolarHBondContact CD1-O 3.32Å; L270-L280 HydrophobicContact CB-CD1 4.17Å; L270-L280 HydrophobicContact CD1-CD1 3.78Å; L270-L280 HydrophobicContact CG-CD1 4.39Å
271A98.4Very high95.8Very high0 Ų043.1 Ų43.10%023%0.234CC..EExtended strand (participates in β ladder)trans-139.5137.9172.400000110.7L19 F249 Y250 A251 I278 F279 V294L19-A271 HydrophobicContact CD1-CB 4Å; F249-A271 HydrophobicContact CE2-CB 3.74Å; F249-A271 HydrophobicContact CZ-CB 4.31Å; Y250-A271 CarbonylContact O-C 3.52Å; Y250-A271 WeakPolarHBondContact O-CA 3.13Å; A251-A271 HydrophobicContact CB-CB 4.18Å; A271-I278 HydrophobicContact CB-CD1 4.46Å; A271-I278 HydrophobicContact CB-CG1 4.07Å; A271-I278 WeakPolarHBondContact O-CG1 3.12Å; A271-I278 PolarHBondContact O-N 2.77Å; A271-F279 HydrophobicContact CB-CB 4Å; A271-F279 PolarHBondContact N-O 2.83Å; A271-F279 PolarHBondContact O-N 2.83Å; A271-V294 HydrophobicContact CB-CB 4.47Å; A271-V294 HydrophobicContact CB-CG1 4.12Å; A271-V294 HydrophobicContact CB-CG2 4.02Å
272A98.1Very high96.1Very high0 Ų043.8 Ų43.80%023%0.225CC..EExtended strand (participates in β ladder)trans-133.6148.8178.700000111.8V238 F249 Y250 Q276V238-A272 HydrophobicContact CG1-CB 3.79Å; F249-A272 WeakPolarHBondContact CD2-O 3.22Å; Y250-A272 PolarHBondContact N-O 3.33Å; Y250-A272 PolarHBondContact O-N 3.09Å; A272-Q276 CarbonylContact C-O 3.56Å; A272-Q276 WeakPolarHBondContact CA-O 3.37Å; A272-Q276 WeakPolarHBondContact CB-O 3.34Å
273V96.4Very high96.2Very high16 Ų1635.1 Ų35.110%0.09720%0.195CC..EExtended strand (participates in β ladder)trans-132.8122.8172.8165.40000107.2G248 F249 D275 Q276 I278 V296 L301G248-V273 WeakPolarHBondContact O-CA 3.29Å; F249-V273 HydrophobicContact CB-CG2 4.12Å; F249-V273 HydrophobicContact CD2-CG2 3.69Å; F249-V273 HydrophobicContact CG-CG2 4.3Å; V273-D275 PolarHBondContact O-N 3.48Å; V273-Q276 PolarHBondContact N-O 3.18Å; V273-Q276 WeakPolarHBondContact O-CB 3.33Å; V273-Q276 PolarHBondContact O-N 3.05Å; V273-I278 HydrophobicContact CB-CG2 4.32Å; V273-I278 HydrophobicContact CG2-CD1 3.74Å; V273-V296 HydrophobicContact CG2-CG1 3.84Å; V273-L301 HydrophobicContact CG1-CD2 3.57Å
274S90.9Very high96.3Very high22 Ų2239.3 Ų39.315%0.15421%0.209CC..THydrogen-bonded Turntrans5452.3170.3-57.20000113.5S242 D247 G248 Q276 R304S242-S274 PolarHBondContact O-N 2.9Å; S242-S274 PolarHBondContact OG-N 3.43Å; D247-S274 WeakPolarHBondContact OD1-CA 3.41Å; D247-S274 WeakPolarHBondContact OD1-CB 3.44Å; D247-S274 PolarHBondContact OD1-OG 2.89Å; D247-S274 PolarHBondContact OD2-OG 3.28Å; D247-S274 VanDerWaalsContact OD2-OG 3.08Å; G248-S274 PolarHBondContact O-N 3.16Å; S274-Q276 PolarHBondContact O-N 2.89Å; S274-Q276 VanDerWaalsContact O-N 3.15Å; S274-R304 PolarHBondContact OG-NE 3.09Å; S274-R304 PolarHBondContact OG-NH2 3.43Å
275D93.3Very high96.2Very high63 Ų6338.7 Ų38.734%0.33721%0.21SC..THydrogen-bonded Turntrans70.9-9.1-174.2-15936.6000115.6K239 S242 M243 V273K239-D275 WeakPolarHBondContact CB-OD1 3.32Å; K239-D275 WeakPolarHBondContact CE-O 3.46Å; K239-D275 WeakPolarHBondContact CE-OD1 3.35Å; K239-D275 WeakPolarHBondContact CG-O 2.99Å; K239-D275 IonicContact NZ-OD1 2.84Å; K239-D275 PolarHBondContact NZ-OD1 2.94Å; S242-D275 PolarHBondContact OG-N 2.99Å; M243-D275 HydrophobicContact CE-CB 4Å; M243-D275 WeakPolarHBondContact CE-OD1 3.32Å; M243-D275 HydrophobicContact CG-CB 3.69Å; M243-D275 HydrophobicContact SD-CB 3.52Å; M243-D275 VanDerWaalsContact SD-CB 3.52Å; V273-D275 PolarHBondContact O-N 3.48Å
276Q96Very high96Very high137 Ų13748.6 Ų48.664%0.6425%0.254SS*.EExtended strand (participates in β ladder)trans-97.3120.1-175.8-60.8-172-27.100110.4A272 V273 S274 I278A272-Q276 CarbonylContact C-O 3.56Å; A272-Q276 WeakPolarHBondContact CA-O 3.37Å; A272-Q276 WeakPolarHBondContact CB-O 3.34Å; V273-Q276 PolarHBondContact N-O 3.18Å; V273-Q276 WeakPolarHBondContact O-CB 3.33Å; V273-Q276 PolarHBondContact O-N 3.05Å; S274-Q276 PolarHBondContact O-N 2.89Å; S274-Q276 VanDerWaalsContact O-N 3.15Å; Q276-I278 PolarHBondContact O-N 2.87Å
277V97.7Very high96Very high61 Ų6150.2 Ų50.237%0.3727%0.271SS..EExtended strand (participates in β ladder)trans-66.4113.8166.9174.90000108.1I235 K239 L270 L280I235-V277 HydrophobicContact CG2-CG2 3.91Å; K239-V277 HydrophobicContact CD-CG2 3.95Å; K239-V277 HydrophobicContact CG-CG2 3.76Å; L270-V277 HydrophobicContact CD1-CB 4.36Å; L270-V277 HydrophobicContact CD1-CG1 3.52Å; L270-V277 HydrophobicContact CD1-CG2 4.02Å; V277-L280 HydrophobicContact CG1-CB 4.26Å
278I97.5Very high96.1Very high77 Ų7752.9 Ų52.940%0.39529%0.285SS..EExtended strand (participates in β ladder)trans-99.2-15.6178.759.9167.9000112.2F249 A271 V273 Q276 V294 V296F249-I278 HydrophobicContact CD2-CD1 4.42Å; F249-I278 HydrophobicContact CE2-CD1 4.1Å; A271-I278 HydrophobicContact CB-CD1 4.46Å; A271-I278 HydrophobicContact CB-CG1 4.07Å; A271-I278 WeakPolarHBondContact O-CG1 3.12Å; A271-I278 PolarHBondContact O-N 2.77Å; V273-I278 HydrophobicContact CB-CG2 4.32Å; V273-I278 HydrophobicContact CG2-CD1 3.74Å; Q276-I278 PolarHBondContact O-N 2.87Å; I278-V294 HydrophobicContact CD1-CG1 3.44Å; I278-V294 VanDerWaalsContact CD1-CG1 3.44Å; I278-V294 HydrophobicContact CG1-CG1 4.14Å; I278-V296 HydrophobicContact CD1-CG1 3.65Å
279F98.2Very high96.2Very high43 Ų4354.2 Ų54.219%0.18929%0.293CS..EExtended strand (participates in β ladder)trans-154.3137.2178.5-179.2-98.8000110.9L19 A269 L270 A271 E292 V294L19-F279 HydrophobicContact CD1-CD1 3.98Å; L19-F279 HydrophobicContact CD1-CE1 4.36Å; A269-F279 HydrophobicContact CB-CE1 4.46Å; L270-F279 WeakPolarHBondContact CA-O 3.42Å; L270-F279 WeakPolarHBondContact CD1-O 3.32Å; A271-F279 HydrophobicContact CB-CB 4Å; A271-F279 PolarHBondContact N-O 2.83Å; A271-F279 PolarHBondContact O-N 2.83Å; F279-E292 HydrophobicContact CE1-CB 3.94Å; F279-E292 HydrophobicContact CE1-CG 4.5Å; F279-E292 HydrophobicContact CE2-CB 4Å; F279-E292 HydrophobicContact CE2-CG 4.35Å; F279-E292 HydrophobicContact CZ-CB 3.36Å; F279-E292 HydrophobicContact CZ-CG 3.66Å; F279-V294 HydrophobicContact CB-CG2 3.62Å; F279-V294 HydrophobicContact CD1-CG2 3.95Å; F279-V294 HydrophobicContact CD2-CG2 4.26Å; F279-V294 HydrophobicContact CG-CG2 3.66Å
280L97.5Very high96.2Very high85 Ų8555.3 Ų55.345%0.44530%0.301SS..EExtended strand (participates in β ladder)trans-145.6114.3172.7-174.271.8000108.1I235 C268 L270 V277I235-L280 HydrophobicContact CD1-CD1 4.41Å; I235-L280 HydrophobicContact CD1-CD2 4.36Å; I235-L280 HydrophobicContact CG1-CD1 4.49Å; C268-L280 WeakPolarHBondContact SG-CD1 3.45Å; L270-L280 HydrophobicContact CB-CD1 4.17Å; L270-L280 HydrophobicContact CD1-CD1 3.78Å; L270-L280 HydrophobicContact CG-CD1 4.39Å; V277-L280 HydrophobicContact CG1-CB 4.26Å
281S96.6Very high96.2Very high9 Ų956 Ų566%0.06331%0.305CS..  trans-80.5162.6176.262.90000111.7C268 A269 Q283C268-S281 WeakPolarHBondContact CA-OG 3.07Å; C268-S281 PolarHBondContact SG-O 2.9Å; A269-S281 WeakPolarHBondContact CA-OG 3.4Å; A269-S281 WeakPolarHBondContact CB-OG 3.15Å; A269-S281 PolarHBondContact N-OG 2.91Å; A269-S281 PolarHBondContact O-N 2.93Å; A269-S281 PolarHBondContact O-OG 3.47Å; S281-Q283 PolarHBondContact O-N 3.39Å
282P95.7Very high96.2Very high93 Ų9359.9 Ų59.960%0.60432%0.323SS*.  trans-52.5138.4173.9-26.435.3000112C268C268-P282 PolarHBondContact N-O 3.34Å
283Q94.8Very high96.2Very high54 Ų5462 Ų6225%0.25234%0.336SS..SBendtrans-65.6-61.9177.2-173.4174.918.800109.8L231 D266 C268 S281L231-Q283 HydrophobicContact CD2-CG 4.38Å; D266-Q283 CarbonylContact C-O 3.55Å; D266-Q283 HydrophobicContact CB-CG 3.67Å; D266-Q283 CarbonylContact O-C 3.47Å; D266-Q283 VanDerWaalsContact O-CA 3.27Å; D266-Q283 WeakPolarHBondContact O-CA 3.5Å; D266-Q283 VanDerWaalsContact O-CG 3.31Å; D266-Q283 WeakPolarHBondContact O-CG 3.09Å; D266-Q283 PolarHBondContact OD2-NE2 2.67Å; C268-Q283 HydrophobicContact CB-CB 4.43Å; C268-Q283 HydrophobicContact CB-CG 4.49Å; S281-Q283 PolarHBondContact O-N 3.39Å
284F95.8Very high96.2Very high109 Ų10961.7 Ų61.748%0.47833%0.334SS..SBendtrans-100.6155.4178.8-49.8-72.9000111.7H226 D266H226-F284 AromaticContact CE1-CZ 3.76Å; H226-F284 AromaticContact ND1-CZ 3.64Å; D266-F284 HydrophobicContact CB-CD1 4.27Å; D266-F284 HydrophobicContact CB-CE1 3.65Å; D266-F284 HydrophobicContact CB-CZ 4.19Å
285G93Very high96.4Very high33 Ų3364 Ų6434%0.3435%0.347SS..  trans-175.8155.6176.100000111.4R256R256-G285 VanDerWaalsContact CD-O 3.29Å; R256-G285 WeakPolarHBondContact CD-O 3.29Å; R256-G285 PolarHBondContact NE-O 2.87Å
286F93.8Very high96.4Very high213 Ų21361.4 Ų61.493%0.93433%0.334SS*.SBendtrans-93.8-7.7-178.1-61.2-71.8000113.9
287G95.2Very high96.2Very high35 Ų3557.4 Ų57.436%0.36132%0.32SS..  trans-66150.6179.100000111.7R256R256-G287 VanDerWaalsContact CZ-O 3.26Å; R256-G287 PolarHBondContact NE-O 2.9Å; R256-G287 PolarHBondContact NH2-O 2.79Å
288D97.3Very high95.8Very high57 Ų5754.5 Ų54.531%0.30530%0.303SS..SBendtrans-80.5-32.7172.8-94.713.4000112.2N23 R34 R35N23-D288 PolarHBondContact N-O 3.47Å; N23-D288 PolarHBondContact ND2-OD1 3.14Å; R34-D288 IonicContact NH2-OD2 2.82Å; R35-D288 HydrophobicContact CG-CB 4.38Å; R35-D288 IonicContact CZ-OD2 3.59Å; R35-D288 IonicContact NE-OD2 3.8Å; R35-D288 PolarHBondContact NE-OD2 3.41Å; R35-D288 IonicContact NH2-OD2 2.79Å
289V98.4Very high95.4Very high29 Ų2954.2 Ų54.218%0.17630%0.302CS..EExtended strand (participates in β ladder)trans-132.1128.3-176.7-177.80000108.6L22 R35 E38 V291L22-V289 HydrophobicContact CD2-CB 4.27Å; L22-V289 HydrophobicContact CD2-CG1 3.89Å; L22-V289 HydrophobicContact CD2-CG2 4.15Å; R35-V289 HydrophobicContact CB-CG2 3.75Å; R35-V289 HydrophobicContact CG-CG2 3.86Å; E38-V289 HydrophobicContact CB-CG2 4.44Å; E38-V289 HydrophobicContact CG-CG1 4.49Å; E38-V289 HydrophobicContact CG-CG2 4.4Å; V289-V291 HydrophobicContact CG1-CG2 3.84Å
290S98.1Very high95Very high25 Ų2554.8 Ų54.818%0.17531%0.312CS..EExtended strand (participates in β ladder)trans-128.7123.9169.4-1620000107.9C20 V21C20-S290 CarbonylContact C-O 3.57Å; C20-S290 WeakPolarHBondContact CA-O 3.45Å; V21-S290 PolarHBondContact N-O 3.44Å; V21-S290 PolarHBondContact O-N 3.33Å
291V98.4Very high94.6Very high14 Ų1450.9 Ų50.99%0.08529%0.291CS..EExtended strand (participates in β ladder)trans-128.1121.2-179.8-176.50000108.6A18 T42 A43 L46 V289A18-V291 HydrophobicContact CB-CG1 3.84Å; T42-V291 HydrophobicContact CG2-CB 3.89Å; T42-V291 HydrophobicContact CG2-CG1 4.29Å; T42-V291 HydrophobicContact CG2-CG2 4.19Å; A43-V291 HydrophobicContact CB-CG1 4Å; L46-V291 HydrophobicContact CD1-CG1 4.21Å; V289-V291 HydrophobicContact CG1-CG2 3.84Å
292E97.6Very high94.2Very high83 Ų8353.9 Ų53.939%0.38830%0.301SS..EExtended strand (participates in β ladder)trans-129.4137.4-178.9-65.5-69.5171.400109.1A18 L19 F279A18-E292 CarbonylContact C-O 3.58Å; A18-E292 WeakPolarHBondContact CA-O 3.3Å; L19-E292 PolarHBondContact N-O 2.93Å; L19-E292 PolarHBondContact O-N 2.9Å; L19-E292 VanDerWaalsContact O-N 3.15Å; F279-E292 HydrophobicContact CE1-CB 3.94Å; F279-E292 HydrophobicContact CE1-CG 4.5Å; F279-E292 HydrophobicContact CE2-CB 4Å; F279-E292 HydrophobicContact CE2-CG 4.35Å; F279-E292 HydrophobicContact CZ-CB 3.36Å; F279-E292 HydrophobicContact CZ-CG 3.66Å
293T98Very high93.9Very high44 Ų4453 Ų5327%0.2730%0.297SS..EExtended strand (participates in β ladder)trans-103.9134.5-178.255.70000112T16 V17 A18 L46 A48T16-T293 HydrophobicContact CG2-CG2 4.25Å; V17-T293 CarbonylContact O-C 3.53Å; V17-T293 VanDerWaalsContact O-CA 3.29Å; V17-T293 WeakPolarHBondContact O-CA 3.5Å; A18-T293 HydrophobicContact CB-CG2 4.06Å; L46-T293 HydrophobicContact CB-CG2 3.49Å; L46-T293 VanDerWaalsContact CB-CG2 3.49Å; L46-T293 HydrophobicContact CD1-CG2 3.96Å; L46-T293 HydrophobicContact CG-CG2 4.38Å; A48-T293 HydrophobicContact CB-CG2 4.03Å
294V97.3Very high93.7Very high9 Ų955 Ų556%0.05530%0.302CS..EExtended strand (participates in β ladder)trans-115.4129.7173.4-178.40000108.4T16 V17 L19 F249 A271 I278 F279 V296T16-V294 WeakPolarHBondContact CA-O 3.39Å; V17-V294 HydrophobicContact CG1-CB 4.36Å; V17-V294 PolarHBondContact N-O 3.18Å; V17-V294 PolarHBondContact O-N 2.79Å; L19-V294 HydrophobicContact CD1-CG2 3.91Å; L19-V294 HydrophobicContact CG-CG2 4.41Å; F249-V294 HydrophobicContact CE2-CG1 4.08Å; F249-V294 HydrophobicContact CZ-CB 4.39Å; F249-V294 HydrophobicContact CZ-CG1 4.08Å; A271-V294 HydrophobicContact CB-CB 4.47Å; A271-V294 HydrophobicContact CB-CG1 4.12Å; A271-V294 HydrophobicContact CB-CG2 4.02Å; I278-V294 HydrophobicContact CD1-CG1 3.44Å; I278-V294 VanDerWaalsContact CD1-CG1 3.44Å; I278-V294 HydrophobicContact CG1-CG1 4.14Å; F279-V294 HydrophobicContact CB-CG2 3.62Å; F279-V294 HydrophobicContact CD1-CG2 3.95Å; F279-V294 HydrophobicContact CD2-CG2 4.26Å; F279-V294 HydrophobicContact CG-CG2 3.66Å; V294-V296 HydrophobicContact CG1-CG1 4.29Å
295T95.3Very high93.4Very high70 Ų7050.1 Ų50.143%0.42928%0.281SS..EExtended strand (participates in β ladder)trans-115.6124178.9-59.30000110.5K14 F15 T16K14-T295 HydrophobicContact CB-CG2 3.83Å; K14-T295 HydrophobicContact CD-CG2 4.08Å; K14-T295 HydrophobicContact CG-CG2 4.27Å; F15-T295 VanDerWaalsContact O-CA 3.31Å; F15-T295 WeakPolarHBondContact O-CA 3.34Å; T16-T295 WeakPolarHBondContact CG2-OG1 3.28Å; T16-T295 WeakPolarHBondContact OG1-CG2 3.16Å; T16-T295 PolarHBondContact OG1-OG1 3.3Å
296V93.1Very high93.2Very high9 Ų955 Ų556%0.05530%0.298CS..EExtended strand (participates in β ladder)trans-120.1145.6-179.5-64.40000111.6K14 F15 F249 V273 I278 V294 L298K14-V296 CarbonylContact C-O 3.55Å; K14-V296 VanDerWaalsContact CA-O 3.29Å; K14-V296 WeakPolarHBondContact CA-O 3.38Å; F15-V296 HydrophobicContact CB-CG2 4.24Å; F15-V296 HydrophobicContact CD1-CG2 4.25Å; F15-V296 PolarHBondContact N-O 3.12Å; F15-V296 PolarHBondContact O-N 2.97Å; F249-V296 HydrophobicContact CB-CG2 4.36Å; F249-V296 HydrophobicContact CD1-CG1 4.34Å; F249-V296 HydrophobicContact CD1-CG2 3.77Å; F249-V296 HydrophobicContact CD2-CG1 3.77Å; F249-V296 HydrophobicContact CE1-CG1 4.48Å; F249-V296 HydrophobicContact CE1-CG2 4.19Å; F249-V296 HydrophobicContact CE2-CG1 3.89Å; F249-V296 HydrophobicContact CG-CG1 4.01Å; F249-V296 HydrophobicContact CG-CG2 4.01Å; F249-V296 HydrophobicContact CZ-CG1 4.25Å; V273-V296 HydrophobicContact CG2-CG1 3.84Å; I278-V296 HydrophobicContact CD1-CG1 3.65Å; V294-V296 HydrophobicContact CG1-CG1 4.29Å; V296-L298 HydrophobicContact CG2-CD2 4.16Å
297C91.4Very high92.9Very high53 Ų5348.7 Ų48.736%0.35829%0.285SS..EExtended strand (participates in β ladder)trans-88.1107.8172.6-176.70000110.1N299 S300 L301C297-N299 VanDerWaalsContact C-N 3.31Å; C297-N299 PolarHBondContact O-N 3Å; C297-S300 WeakPolarHBondContact O-CB 3.49Å; C297-S300 PolarHBondContact O-N 3.21Å; C297-S300 PolarHBondContact SG-OG 3.3Å; C297-S300 VanDerWaalsContact SG-OG 3.39Å; C297-L301 PolarHBondContact O-N 2.99Å
298L89.2Confident92.6Very high1 Ų148 Ų481%0.00527%0.274CS..Hα-helixtrans-65-34.7-177.3-58.6179.5000112.5N13 F15 V190 D216 V296 S300 L301 R302N13-L298 PolarHBondContact O-N 3Å; F15-L298 HydrophobicContact CB-CD1 4.05Å; F15-L298 HydrophobicContact CB-CD2 3.93Å; F15-L298 HydrophobicContact CB-CG 4.04Å; V190-L298 HydrophobicContact CB-CD1 3.57Å; V190-L298 HydrophobicContact CG2-CD1 3.59Å; V190-L298 HydrophobicContact CG2-CD2 4.07Å; V190-L298 HydrophobicContact CG2-CG 4.5Å; D216-L298 HydrophobicContact CB-CD2 3.96Å; V296-L298 HydrophobicContact CG2-CD2 4.16Å; L298-S300 VanDerWaalsContact C-N 3.26Å; L298-S300 PolarHBondContact O-N 3.18Å; L298-L301 HydrophobicContact CD2-CD1 4.19Å; L298-L301 WeakPolarHBondContact O-CB 3.47Å; L298-L301 PolarHBondContact O-N 3.39Å; L298-R302 WeakPolarHBondContact O-CG 3.46Å; L298-R302 PolarHBondContact O-N 3.29Å
299N88.5Confident92.1Very high71 Ų7154.7 Ų54.738%0.3830%0.295SS..Hα-helixtrans-65.5-31.9177.7-79.39.4000112.4N13 C297 S303N13-N299 HydrophobicContact CB-CB 4.22Å; N13-N299 VanDerWaalsContact CG-CG 3.48Å; N13-N299 VanDerWaalsContact CG-ND2 3.27Å; N13-N299 PolarHBondContact ND2-ND2 3.41Å; C297-N299 VanDerWaalsContact C-N 3.31Å; C297-N299 PolarHBondContact O-N 3Å; N299-S303 WeakPolarHBondContact O-CB 3.33Å; N299-S303 PolarHBondContact O-N 2.87Å
300S89.2Confident91.3Very high55 Ų5557 Ų5739%0.38531%0.312SS..Hα-helixtrans-65.3-41.9174.1-57.90000111.1C297 L298 R304C297-S300 WeakPolarHBondContact O-CB 3.49Å; C297-S300 PolarHBondContact O-N 3.21Å; C297-S300 PolarHBondContact SG-OG 3.3Å; C297-S300 VanDerWaalsContact SG-OG 3.39Å; L298-S300 VanDerWaalsContact C-N 3.26Å; L298-S300 PolarHBondContact O-N 3.18Å; S300-R304 WeakPolarHBondContact O-CG 3.39Å; S300-R304 PolarHBondContact O-N 3.3Å
301L89.5Confident90.7Very high2 Ų257.2 Ų57.21%0.0131%0.31CS..Hα-helixtrans-62.2-51.6173.9-65.7167.8000111.4F249 V273 C297 L298 S303 R304 R305F249-L301 HydrophobicContact CB-CD1 3.92Å; V273-L301 HydrophobicContact CG1-CD2 3.57Å; C297-L301 PolarHBondContact O-N 2.99Å; L298-L301 HydrophobicContact CD2-CD1 4.19Å; L298-L301 WeakPolarHBondContact O-CB 3.47Å; L298-L301 PolarHBondContact O-N 3.39Å; L301-S303 VanDerWaalsContact C-N 3.32Å; L301-S303 PolarHBondContact O-N 2.94Å; L301-R304 PolarHBondContact O-N 3.12Å; L301-R305 WeakPolarHBondContact O-CG 3.18Å; L301-R305 PolarHBondContact O-N 3.05Å
302R89.2Confident90Very high72 Ų7258.4 Ų58.427%0.27232%0.324SS..Hα-helixtrans-62.1-38.7-179-68.5170.7179.8178.7-3.5112H189 D216 L298 R305 I306H189-R302 PolarHBondContact O-NH2 3.21Å; D216-R302 IonicContact OD1-CZ 3.64Å; D216-R302 IonicContact OD1-NE 3.66Å; D216-R302 PolarHBondContact OD1-NE 3.35Å; D216-R302 IonicContact OD1-NH2 3.99Å; D216-R302 PolarHBondContact OD1-NH2 3.19Å; D216-R302 IonicContact OD2-CZ 3.86Å; D216-R302 IonicContact OD2-NE 3.76Å; D216-R302 IonicContact OD2-NH2 2.74Å; D216-R302 PolarHBondContact OD2-NH2 3.45Å; L298-R302 WeakPolarHBondContact O-CG 3.46Å; L298-R302 PolarHBondContact O-N 3.29Å; R302-R305 WeakPolarHBondContact O-CB 3.08Å; R302-R305 PolarHBondContact O-N 3.06Å; R302-I306 WeakPolarHBondContact O-CG1 3.4Å; R302-I306 PolarHBondContact O-N 2.88Å
303S89.8Confident89.4Confident75 Ų7563.9 Ų63.952%0.52434%0.341SS..Hα-helixtrans-62.2-43.4176.2-179.60000112N299 L301 I306 A307N299-S303 WeakPolarHBondContact O-CB 3.33Å; N299-S303 PolarHBondContact O-N 2.87Å; L301-S303 VanDerWaalsContact C-N 3.32Å; L301-S303 PolarHBondContact O-N 2.94Å; S303-I306 WeakPolarHBondContact O-CB 3.3Å; S303-I306 PolarHBondContact O-N 3.49Å; S303-A307 PolarHBondContact O-N 2.84Å
304R89.2Confident88.7Confident95 Ų9563 Ų6336%0.35834%0.339SS..Hα-helixtrans-65.7-38.5175.6-67.7-171.2-66.5-102.811.4112.4D247 S274 S300 L301 I306 A307 S308D247-R304 HydrophobicContact CB-CB 4.46Å; D247-R304 WeakPolarHBondContact OD2-CB 3.48Å; D247-R304 WeakPolarHBondContact OD2-CD 3.14Å; D247-R304 IonicContact OD2-CZ 3.41Å; D247-R304 IonicContact OD2-NE 3.47Å; D247-R304 PolarHBondContact OD2-NE 3.37Å; S274-R304 PolarHBondContact OG-NE 3.09Å; S274-R304 PolarHBondContact OG-NH2 3.43Å; S300-R304 WeakPolarHBondContact O-CG 3.39Å; S300-R304 PolarHBondContact O-N 3.3Å; L301-R304 PolarHBondContact O-N 3.12Å; R304-I306 VanDerWaalsContact C-N 3.33Å; R304-I306 PolarHBondContact O-N 3.35Å; R304-A307 WeakPolarHBondContact O-CB 3.39Å; R304-A307 PolarHBondContact O-N 3.39Å; R304-A307 VanDerWaalsContact O-N 3.14Å; R304-S308 PolarHBondContact O-N 3.48Å; R304-S308 VanDerWaalsContact O-N 3.13Å
305R90.1Very high88Confident7 Ų763.7 Ų63.73%0.02635%0.345CS..Hα-helixtrans-60.8-36.4173-75.3176.5179.6-1780.7113.9V215 D216 D247 L301 R302 A307 S308 F311V215-R305 PolarHBondContact O-NH1 3.05Å; V215-R305 PolarHBondContact O-NH2 2.95Å; D216-R305 IonicContact OD1-NH1 3.06Å; D247-R305 HydrophobicContact CB-CG 4.3Å; D247-R305 PolarHBondContact O-NE 2.85Å; D247-R305 PolarHBondContact O-NH2 3.48Å; L301-R305 WeakPolarHBondContact O-CG 3.18Å; L301-R305 PolarHBondContact O-N 3.05Å; R302-R305 WeakPolarHBondContact O-CB 3.08Å; R302-R305 PolarHBondContact O-N 3.06Å; R305-A307 VanDerWaalsContact C-N 3.26Å; R305-A307 PolarHBondContact O-N 3.19Å; R305-S308 WeakPolarHBondContact O-CB 3.28Å; R305-S308 PolarHBondContact O-N 3.09Å; R305-F311 HydrophobicContact CB-CD1 3.62Å; R305-F311 HydrophobicContact CB-CE1 3.77Å; R305-F311 HydrophobicContact CB-CG 4.11Å; R305-F311 HydrophobicContact CB-CZ 4.34Å; R305-F311 HydrophobicContact CG-CD1 4.09Å; R305-F311 HydrophobicContact CG-CD2 4.28Å; R305-F311 HydrophobicContact CG-CE1 4.2Å; R305-F311 HydrophobicContact CG-CE2 4.32Å; R305-F311 HydrophobicContact CG-CG 4.12Å; R305-F311 HydrophobicContact CG-CZ 4.31Å
306I88.8Confident87.4Confident136 Ų13663.2 Ų63.270%0.69735%0.349SS*.Hα-helixtrans-61-38.2175.4-70165000110.8R302 S303 R304 S308R302-I306 WeakPolarHBondContact O-CG1 3.4Å; R302-I306 PolarHBondContact O-N 2.88Å; S303-I306 WeakPolarHBondContact O-CB 3.3Å; S303-I306 PolarHBondContact O-N 3.49Å; R304-I306 VanDerWaalsContact C-N 3.33Å; R304-I306 PolarHBondContact O-N 3.35Å; I306-S308 VanDerWaalsContact C-N 3.29Å
307A87.9Confident86.7Confident80 Ų8066 Ų6666%0.66137%0.373SS*.Hα-helixtrans-73-22.7175.100000112.7S303 R304 R305 R309S303-A307 PolarHBondContact O-N 2.84Å; R304-A307 WeakPolarHBondContact O-CB 3.39Å; R304-A307 PolarHBondContact O-N 3.39Å; R304-A307 VanDerWaalsContact O-N 3.14Å; R305-A307 VanDerWaalsContact C-N 3.26Å; R305-A307 PolarHBondContact O-N 3.19Å; A307-R309 PolarHBondContact O-N 2.7Å
308S87.9Confident86Confident21 Ų2164.7 Ų64.715%0.14736%0.364CS..  trans-79.7105.8-179.8-1790000112.6G246 R304 R305 I306 C310 F311 G312G246-S308 WeakPolarHBondContact CA-OG 3.15Å; R304-S308 PolarHBondContact O-N 3.48Å; R304-S308 VanDerWaalsContact O-N 3.13Å; R305-S308 WeakPolarHBondContact O-CB 3.28Å; R305-S308 PolarHBondContact O-N 3.09Å; I306-S308 VanDerWaalsContact C-N 3.29Å; S308-C310 VanDerWaalsContact C-N 3.33Å; S308-C310 PolarHBondContact O-N 3.47Å; S308-C310 PolarHBondContact OG-SG 3.48Å; S308-F311 PolarHBondContact O-N 2.82Å; S308-F311 PolarHBondContact OG-N 3.06Å; S308-G312 PolarHBondContact O-N 3.14Å; S308-G312 VanDerWaalsContact O-N 3.09Å
309R86.5Confident85.4Confident198 Ų19867.7 Ų67.775%0.74739%0.389SS*.Hα-helixtrans-67.9-31.2176.8-61.2-59-173.7-174-0.2113.1A307 R313A307-R309 PolarHBondContact O-N 2.7Å; R309-R313 WeakPolarHBondContact O-CG 3.41Å; R309-R313 PolarHBondContact O-N 3.3Å; R309-R313 VanDerWaalsContact O-N 3.15Å
310C82.6Confident84.2Confident77 Ų7768.1 Ų68.152%0.5240%0.402SS..Hα-helixtrans-67.8-45.1177.361.50000111S308 G312 R313 A314S308-C310 VanDerWaalsContact C-N 3.33Å; S308-C310 PolarHBondContact O-N 3.47Å; S308-C310 PolarHBondContact OG-SG 3.48Å; C310-G312 PolarHBondContact O-N 2.95Å; C310-R313 PolarHBondContact O-N 3.15Å; C310-A314 PolarHBondContact O-N 2.71Å
311F84.5Confident83.1Confident30 Ų3066.9 Ų66.913%0.13240%0.395CS..Hα-helixtrans-56.5-51.3172.6174.8-102.8000111.1Y211 N245 R305 S308 R313 A314 A315Y211-F311 VanDerWaalsContact O-CE2 3.27Å; Y211-F311 WeakPolarHBondContact O-CE2 3.22Å; N245-F311 HydrophobicContact CB-CD2 4.23Å; N245-F311 VanDerWaalsContact O-CB 3.29Å; N245-F311 WeakPolarHBondContact O-CB 3.33Å; N245-F311 WeakPolarHBondContact O-CD2 3.45Å; N245-F311 WeakPolarHBondContact O-CG 3.3Å; R305-F311 HydrophobicContact CB-CD1 3.62Å; R305-F311 HydrophobicContact CB-CE1 3.77Å; R305-F311 HydrophobicContact CB-CG 4.11Å; R305-F311 HydrophobicContact CB-CZ 4.34Å; R305-F311 HydrophobicContact CG-CD1 4.09Å; R305-F311 HydrophobicContact CG-CD2 4.28Å; R305-F311 HydrophobicContact CG-CE1 4.2Å; R305-F311 HydrophobicContact CG-CE2 4.32Å; R305-F311 HydrophobicContact CG-CG 4.12Å; R305-F311 HydrophobicContact CG-CZ 4.31Å; S308-F311 PolarHBondContact O-N 2.82Å; S308-F311 PolarHBondContact OG-N 3.06Å; F311-R313 PolarHBondContact O-N 3.14Å; F311-A314 PolarHBondContact O-N 3.12Å; F311-A314 VanDerWaalsContact O-N 3.13Å; F311-A315 HydrophobicContact CE1-CB 4.18Å; F311-A315 HydrophobicContact CE2-CB 4.33Å; F311-A315 HydrophobicContact CZ-CB 4.06Å; F311-A315 WeakPolarHBondContact O-CB 3.3Å; F311-A315 PolarHBondContact O-N 3.09Å
312G84.4Confident81.4Confident38 Ų3872.8 Ų72.839%0.39242%0.421SS..Hα-helixtrans-55.4-39.3-178.700000113.2S308 C310 A316S308-G312 PolarHBondContact O-N 3.14Å; S308-G312 VanDerWaalsContact O-N 3.09Å; C310-G312 PolarHBondContact O-N 2.95Å; G312-A316 WeakPolarHBondContact O-CB 3.22Å; G312-A316 PolarHBondContact O-N 2.93Å
313R84.2Confident79.5Confident198 Ų19874.1 Ų74.175%0.74744%0.441SS*.Hα-helixtrans-67.9-49175.6-71175.3-175.1174.11.5112.2R309 C310 F311 A315 A316 A317R309-R313 WeakPolarHBondContact O-CG 3.41Å; R309-R313 PolarHBondContact O-N 3.3Å; R309-R313 VanDerWaalsContact O-N 3.15Å; C310-R313 PolarHBondContact O-N 3.15Å; F311-R313 PolarHBondContact O-N 3.14Å; R313-A315 VanDerWaalsContact C-N 3.34Å; R313-A315 PolarHBondContact O-N 3.01Å; R313-A316 PolarHBondContact O-N 2.93Å; R313-A317 WeakPolarHBondContact O-CB 3.37Å; R313-A317 PolarHBondContact O-N 2.84Å
314A84.1Confident77.3Confident27 Ų2773.5 Ų73.522%0.22343%0.432CS..Hα-helixtrans-62.2-42.7-179.800000111.7A212 C310 F311 A317 S318A212-A314 HydrophobicContact CB-CB 3.99Å; C310-A314 PolarHBondContact O-N 2.71Å; F311-A314 PolarHBondContact O-N 3.12Å; F311-A314 VanDerWaalsContact O-N 3.13Å; A314-A317 PolarHBondContact O-N 3.12Å; A314-S318 PolarHBondContact O-N 3.43Å
315A83.7Confident75.1Confident22 Ų2274.3 Ų74.318%0.18246%0.459CS..Hα-helixtrans-68.9-40.6178.600000113.2A212 F311 R313 A317 S318 A319A212-A315 WeakPolarHBondContact O-CA 3.2Å; A212-A315 WeakPolarHBondContact O-CB 3.27Å; F311-A315 HydrophobicContact CE1-CB 4.18Å; F311-A315 HydrophobicContact CE2-CB 4.33Å; F311-A315 HydrophobicContact CZ-CB 4.06Å; F311-A315 WeakPolarHBondContact O-CB 3.3Å; F311-A315 PolarHBondContact O-N 3.09Å; R313-A315 VanDerWaalsContact C-N 3.34Å; R313-A315 PolarHBondContact O-N 3.01Å; A315-A317 VanDerWaalsContact C-N 3.34Å; A315-S318 PolarHBondContact O-N 3.48Å; A315-A319 WeakPolarHBondContact O-CB 3.33Å; A315-A319 PolarHBondContact O-N 3.21Å
316A81.6Confident73.2Confident61 Ų6183.5 Ų83.550%0.50450%0.5SS..Hα-helixtrans-61.5-43.7173.400000111.6G312 R313 A319 A320G312-A316 WeakPolarHBondContact O-CB 3.22Å; G312-A316 PolarHBondContact O-N 2.93Å; R313-A316 PolarHBondContact O-N 2.93Å; A316-A319 PolarHBondContact O-N 3.02Å; A316-A320 WeakPolarHBondContact O-CB 3.17Å; A316-A320 PolarHBondContact O-N 2.83Å
317A78.6Confident71.2Confident67 Ų6780 Ų8055%0.55450%0.498SS*.Hα-helixtrans-61.9-45.4176.800000112R313 A314 A315 A319 A320 A321R313-A317 WeakPolarHBondContact O-CB 3.37Å; R313-A317 PolarHBondContact O-N 2.84Å; A314-A317 PolarHBondContact O-N 3.12Å; A315-A317 VanDerWaalsContact C-N 3.34Å; A317-A319 PolarHBondContact O-N 2.74Å; A317-A320 PolarHBondContact O-N 3.13Å; A317-A321 PolarHBondContact O-N 3.01Å
318S77.7Confident68.9Low26 Ų2681.8 Ų81.818%0.18250%0.495CS..Hα-helixtrans-63.5-38.6176.6-176.60000112.6A314 A315 A321A314-S318 PolarHBondContact O-N 3.43Å; A315-S318 PolarHBondContact O-N 3.48Å; S318-A321 WeakPolarHBondContact O-CB 3.41Å
319A75.3Confident66.5Low64 Ų6484.6 Ų84.653%0.52951%0.511SS..Hα-helixtrans-70.5-38178.800000113A315 A316 A317 A321 K322A315-A319 WeakPolarHBondContact O-CB 3.33Å; A315-A319 PolarHBondContact O-N 3.21Å; A316-A319 PolarHBondContact O-N 3.02Å; A317-A319 PolarHBondContact O-N 2.74Å; A319-A321 PolarHBondContact O-N 3.33Å; A319-K322 PolarHBondContact O-N 2.91Å
320A64.4Low64.6Low79 Ų7982.4 Ų82.465%0.65351%0.509SS*.Hα-helixtrans-69.4-16.3-179.800000113.5A316 A317 K322A316-A320 WeakPolarHBondContact O-CB 3.17Å; A316-A320 PolarHBondContact O-N 2.83Å; A317-A320 PolarHBondContact O-N 3.13Å; A320-K322 PolarHBondContact O-N 2.83Å
321A65.1Low63.2Low29 Ų2981.1 Ų81.124%0.2450%0.501CS..THydrogen-bonded Turntrans-64.11.8173.500000114.2A317 S318 A319A317-A321 PolarHBondContact O-N 3.01Å; S318-A321 WeakPolarHBondContact O-CB 3.41Å; A319-A321 PolarHBondContact O-N 3.33Å
322K53.6Low62.5Low127 Ų12782.2 Ų82.255%0.55251%0.512SS*.SBendtrans-87.5117.3172.4-75.1-177.4173.6179.20111.6A319 A320 C332A319-K322 PolarHBondContact O-N 2.91Å; A320-K322 PolarHBondContact O-N 2.83Å; K322-C332 HydrophobicContact CD-CB 4.27Å; K322-C332 WeakPolarHBondContact CE-SG 3.42Å; K322-C332 HydrophobicContact CG-CB 3.78Å
323S49.3Very low62.7Low100 Ų10080.8 Ų80.870%0.69950%0.495SS*.  trans69.7115.4172.474.30000116.9
324D43.5Very low63.1Low61 Ų6172.5 Ų72.533%0.32647%0.466SS..  trans-98.8156151.566.5-23.8000110.2F326 G327 I328D324-F326 PolarHBondContact O-N 2.99Å; D324-F326 VanDerWaalsContact OD2-CB 3.32Å; D324-F326 WeakPolarHBondContact OD2-CB 3.28Å; D324-G327 VanDerWaalsContact CG-N 3.3Å; D324-G327 PolarHBondContact O-N 3.45Å; D324-G327 WeakPolarHBondContact OD1-CA 3.43Å; D324-G327 PolarHBondContact OD1-N 3.12Å; D324-G327 PolarHBondContact OD2-N 2.96Å; D324-I328 VanDerWaalsContact CG-C 3.46Å; D324-I328 WeakPolarHBondContact OD1-CA 3.48Å; D324-I328 PolarHBondContact OD1-N 3.01Å; D324-I328 VanDerWaalsContact OD1-O 3.04Å; D324-I328 PolarHBondContact OD2-N 3.4Å
325A42.6Very low63.5Low113 Ų11373.8 Ų73.893%0.93447%0.471SS*.THydrogen-bonded Turntrans-78.70171.500000112.9
326F52.2Low64Low199 Ų19973.5 Ų73.587%0.87347%0.467SS*.THydrogen-bonded Turntrans-100.7-2.6172.8-77.9-89.7000113.2D324D324-F326 PolarHBondContact O-N 2.99Å; D324-F326 VanDerWaalsContact OD2-CB 3.32Å; D324-F326 WeakPolarHBondContact OD2-CB 3.28Å
327G44.8Very low64.6Low64 Ų6476.4 Ų76.466%0.6647%0.469SS*.SBendtrans87.31.1170.800000116.9D324D324-G327 VanDerWaalsContact CG-N 3.3Å; D324-G327 PolarHBondContact O-N 3.45Å; D324-G327 WeakPolarHBondContact OD1-CA 3.43Å; D324-G327 PolarHBondContact OD1-N 3.12Å; D324-G327 PolarHBondContact OD2-N 2.96Å
328I40.1Very low65.2Low117 Ų11773.2 Ų73.260%0.644%0.442SS*.  trans-103.4100.7173.2-53.8-179.5000111.3D324 H330D324-I328 VanDerWaalsContact CG-C 3.46Å; D324-I328 WeakPolarHBondContact OD1-CA 3.48Å; D324-I328 PolarHBondContact OD1-N 3.01Å; D324-I328 VanDerWaalsContact OD1-O 3.04Å; D324-I328 PolarHBondContact OD2-N 3.4Å; I328-H330 WeakPolarHBondContact CG2-NE2 3.46Å
329T37.8Very low65.7Low79 Ų7979.9 Ų79.949%0.48546%0.463SS..  trans-101.8122173.449.70000112
330H47.5Very low66.2Low153 Ų15379.4 Ų79.471%0.70845%0.449SS*.  trans-146130174.2-65.4-43.3000109.3I328I328-H330 WeakPolarHBondContact CG2-NE2 3.46Å
331S51.9Low66.6Low50 Ų5079.3 Ų79.335%0.3544%0.437SS..  cis-136.5118.4-22.747.40000105.6Q150Q150-S331 PolarHBondContact OE1-O 3.42Å; Q150-S331 PolarHBondContact OE1-OG 3.43Å
332C70.7Confident66.3Low52 Ų5285.2 Ų85.235%0.35146%0.458SS..PPolyproline II helixtrans-78.4134.1154.861.10000107K322 P334K322-C332 HydrophobicContact CD-CB 4.27Å; K322-C332 WeakPolarHBondContact CE-SG 3.42Å; K322-C332 HydrophobicContact CG-CB 3.78Å; C332-P334 WeakPolarHBondContact O-CD 3.45Å; C332-P334 VanDerWaalsContact O-N 3.16Å
333Y88.7Confident66Low9 Ų984.3 Ų84.34%0.03546%0.463CS..PPolyproline II helixtrans-47.9125177.5-117.9-72.2000110.3Q150 D176 I178 A209 M210 A213 V335Q150-Y333 HydrophobicContact CB-CD1 4.44Å; Q150-Y333 HydrophobicContact CB-CE1 4.49Å; Q150-Y333 HydrophobicContact CG-CD1 4.06Å; Q150-Y333 HydrophobicContact CG-CD2 3.9Å; Q150-Y333 HydrophobicContact CG-CE1 3.83Å; Q150-Y333 HydrophobicContact CG-CE2 3.66Å; Q150-Y333 HydrophobicContact CG-CG 4.09Å; D176-Y333 VanDerWaalsContact OD2-CE1 3.32Å; D176-Y333 WeakPolarHBondContact OD2-CE1 3.35Å; D176-Y333 PolarHBondContact OD2-OH 2.96Å; I178-Y333 HydrophobicContact CG2-CD1 3.63Å; I178-Y333 HydrophobicContact CG2-CD2 4.49Å; I178-Y333 HydrophobicContact CG2-CE1 4.14Å; I178-Y333 HydrophobicContact CG2-CG 3.83Å; A209-Y333 HydrophobicContact CB-CE2 3.84Å; M210-Y333 HydrophobicContact CG-CE1 4.4Å; M210-Y333 HydrophobicContact CG-CE2 3.89Å; A213-Y333 HydrophobicContact CB-CD2 3.73Å; A213-Y333 HydrophobicContact CB-CG 4.23Å; Y333-V335 WeakPolarHBondContact O-CG2 3.3Å
334P92.3Very high65.1Low24 Ų2486 Ų8616%0.15646%0.462CS..PPolyproline II helixtrans-56.4142.2175.3-24.633000110.2Q150 I152 A177 I178 C332Q150-P334 VanDerWaalsContact C-CD 3.46Å; Q150-P334 VanDerWaalsContact C-CG 3.48Å; Q150-P334 WeakPolarHBondContact O-CD 3.39Å; Q150-P334 WeakPolarHBondContact O-CG 3.45Å; I152-P334 HydrophobicContact CD1-CB 4.08Å; I152-P334 HydrophobicContact CG1-CB 4.03Å; I152-P334 HydrophobicContact CG1-CG 4.49Å; I152-P334 HydrophobicContact CG2-CB 4.02Å; I152-P334 HydrophobicContact CG2-CG 4.41Å; A177-P334 CarbonylContact C-O 3.6Å; A177-P334 WeakPolarHBondContact CA-O 3.41Å; A177-P334 HydrophobicContact CB-CB 4.07Å; A177-P334 WeakPolarHBondContact CB-O 3.47Å; I178-P334 WeakPolarHBondContact CG1-O 3.49Å; I178-P334 PolarHBondContact N-O 2.99Å; C332-P334 WeakPolarHBondContact O-CD 3.45Å; C332-P334 VanDerWaalsContact O-N 3.16Å
335V92.5Very high64.5Low53 Ų5389.6 Ų89.632%0.32148%0.48SS..EExtended strand (participates in β ladder)trans-118.6117.7-174.4-176.10000110.2I178 R180 Y333I178-V335 HydrophobicContact CD1-CG2 4.01Å; I178-V335 HydrophobicContact CG1-CB 4.45Å; I178-V335 HydrophobicContact CG1-CG2 3.88Å; I178-V335 WeakPolarHBondContact O-CA 2.99Å; R180-V335 HydrophobicContact CB-CG1 3.41Å; R180-V335 VanDerWaalsContact CB-CG1 3.41Å; R180-V335 HydrophobicContact CG-CG1 4.48Å; Y333-V335 WeakPolarHBondContact O-CG2 3.3Å
336V94.6Very high63.9Low16 Ų1689.9 Ų89.910%0.09747%0.466CS..EExtended strand (participates in β ladder)trans-92.6120.5167.1174.90000108.3L123 L124 A173 A177 I178 L179 R180L123-V336 HydrophobicContact CB-CG1 4.12Å; L124-V336 HydrophobicContact CB-CG2 4.37Å; L124-V336 HydrophobicContact CD1-CG2 4.26Å; A173-V336 HydrophobicContact CB-CG2 4.1Å; A177-V336 HydrophobicContact CB-CG2 3.97Å; I178-V336 PolarHBondContact O-N 3.43Å; L179-V336 WeakPolarHBondContact CA-O 3.5Å; L179-V336 HydrophobicContact CD2-CB 4.06Å; L179-V336 HydrophobicContact CD2-CG1 4.16Å; R180-V336 PolarHBondContact N-O 2.94Å
337K92.4Very high62.9Low123 Ų12385.9 Ų85.954%0.53545%0.452SS..EExtended strand (participates in β ladder)trans-80.4126.8-179.5-68.5-178.5-176.1172.60110.2R180R180-K337 CarbonylContact O-C 3.55Å; R180-K337 WeakPolarHBondContact O-CA 3.2Å
338V92.2Very high62.3Low0 Ų089.5 Ų89.50%046%0.455CS..EExtended strand (participates in β ladder)trans-97.2122.2173.3-174.30000107.9V97 L118 L123 L179 R180 F181 S182V97-V338 HydrophobicContact CG2-CG1 3.63Å; L118-V338 HydrophobicContact CD2-CG1 3.57Å; L123-V338 HydrophobicContact CD1-CG1 4.32Å; L123-V338 HydrophobicContact CD1-CG2 4.19Å; L179-V338 HydrophobicContact CB-CG2 3.88Å; L179-V338 HydrophobicContact CD2-CG2 4.12Å; L179-V338 HydrophobicContact CG-CG2 4.45Å; R180-V338 PolarHBondContact O-N 3.35Å; F181-V338 HydrophobicContact CD1-CB 4.43Å; F181-V338 HydrophobicContact CD1-CG1 4.19Å; F181-V338 HydrophobicContact CD2-CB 3.92Å; F181-V338 HydrophobicContact CD2-CG1 4.36Å; F181-V338 HydrophobicContact CD2-CG2 3.96Å; F181-V338 HydrophobicContact CE1-CG1 3.94Å; F181-V338 HydrophobicContact CE2-CB 4Å; F181-V338 HydrophobicContact CE2-CG1 4.1Å; F181-V338 HydrophobicContact CE2-CG2 3.75Å; F181-V338 HydrophobicContact CG-CB 4.1Å; F181-V338 HydrophobicContact CG-CG1 4.35Å; F181-V338 HydrophobicContact CZ-CB 4.26Å; F181-V338 HydrophobicContact CZ-CG1 3.85Å; F181-V338 HydrophobicContact CZ-CG2 4.27Å; S182-V338 PolarHBondContact N-O 2.62Å; S182-V338 PolarHBondContact OG-O 3.3Å; S182-V338 VanDerWaalsContact OG-O 3.12Å
339R88.6Confident61.9Low165 Ų16592.3 Ų92.362%0.62346%0.463SS*.  trans-129.2114.8-178.9-71.4179.4177.1-179.3-3.8110L118 S182L118-R339 WeakPolarHBondContact CD2-O 3.3Å; S182-R339 WeakPolarHBondContact OG-CG 3.21Å
340F86Confident61.8Low54 Ų5493 Ų9324%0.23748%0.477CS..PPolyproline II helixtrans-74.4155.6171.9-67.7-71000111K49 D95 V97 L118 F181K49-F340 HydrophobicContact CB-CZ 4.09Å; K49-F340 HydrophobicContact CD-CE1 4.45Å; K49-F340 HydrophobicContact CD-CZ 4.19Å; D95-F340 VanDerWaalsContact C-CE1 3.44Å; D95-F340 HydrophobicContact CB-CD1 3.77Å; D95-F340 HydrophobicContact CB-CE1 4.36Å; D95-F340 WeakPolarHBondContact O-CE1 3.46Å; V97-F340 HydrophobicContact CG2-CZ 4.27Å; L118-F340 HydrophobicContact CD1-CD1 3.83Å; L118-F340 HydrophobicContact CD1-CE1 3.62Å; L118-F340 HydrophobicContact CD2-CD1 4.28Å; L118-F340 HydrophobicContact CD2-CE1 4.32Å; F181-F340 AromaticContact CD1-CE2 3.6Å; F181-F340 HydrophobicContact CD1-CE2 3.6Å; F181-F340 HydrophobicContact CD1-CZ 4.21Å; F181-F340 AromaticContact CE1-CE2 3.58Å; F181-F340 HydrophobicContact CE1-CE2 3.58Å; F181-F340 AromaticContact CE1-CZ 3.69Å; F181-F340 HydrophobicContact CE1-CZ 3.69Å
341L72.3Confident61.6Low77 Ų7795.2 Ų95.240%0.40350%0.501SS..PPolyproline II helixtrans-67.4138.3174.5-74.4162.2000108.9D95 N119 V343D95-L341 PolarHBondContact OD1-N 2.94Å; N119-L341 HydrophobicContact CB-CD1 3.94Å; N119-L341 HydrophobicContact CB-CG 4.36Å; N119-L341 WeakPolarHBondContact ND2-CG 3.33Å; N119-L341 PolarHBondContact ND2-N 2.7Å; L341-V343 PolarHBondContact O-N 3.02Å
342F58.9Low62.1Low154 Ų15497.5 Ų97.568%0.67551%0.508SS*.PPolyproline II helixtrans-68.2117.9176.6-141.5-91.2000107.7N184 M344N184-F342 HydrophobicContact CB-CE2 4.17Å; N184-F342 HydrophobicContact CB-CZ 4.46Å; F342-M344 PolarHBondContact O-N 3.43Å
343V46.3Very low61.6Low108 Ų10899.9 Ų99.966%0.65552%0.517SS*.  trans-72.692.6161.3-175.20000105.2L341 L345L341-V343 PolarHBondContact O-N 3.02Å; V343-L345 VanDerWaalsContact C-N 3.26Å; V343-L345 PolarHBondContact O-N 3.49Å
344M31.5Very low60.1Low136 Ų136104.9 Ų104.967%0.6754%0.543SS*.  trans-60.5102.7155.8-103.3-175.544.900105.4F342 N346F342-M344 PolarHBondContact O-N 3.43Å; M344-N346 WeakPolarHBondContact CE-OD1 3.32Å; M344-N346 PolarHBondContact O-N 3.2Å
345L31.2Very low58.2Low135 Ų135109.7 Ų109.771%0.70757%0.566SS**  trans-5898.2155.6-110.498.2000105V343 I347V343-L345 VanDerWaalsContact C-N 3.26Å; V343-L345 PolarHBondContact O-N 3.49Å; L345-I347 HydrophobicContact CB-CG1 4.29Å; L345-I347 HydrophobicContact CD2-CG1 4.18Å; L345-I347 PolarHBondContact O-N 2.64Å
346N28.3Very low56.1Low119 Ų119113.3 Ų113.364%0.63658%0.581SS**  trans-64.283.6158.6-84.5-23.1000105.8M344 I348M344-N346 WeakPolarHBondContact CE-OD1 3.32Å; M344-N346 PolarHBondContact O-N 3.2Å; N346-I348 HydrophobicContact CB-CG1 4.31Å; N346-I348 PolarHBondContact O-N 3.42Å
347I32.1Very low53.5Low115 Ų115119.7 Ų119.759%0.5961%0.614SS**  trans-67.283.4155.8-57.7176.2000104.1L345 F349L345-I347 HydrophobicContact CB-CG1 4.29Å; L345-I347 HydrophobicContact CD2-CG1 4.18Å; L345-I347 PolarHBondContact O-N 2.64Å; I347-F349 HydrophobicContact CG2-CD2 3.6Å; I347-F349 HydrophobicContact CG2-CE2 3.66Å; I347-F349 HydrophobicContact CG2-CG 4.4Å; I347-F349 PolarHBondContact O-N 3.16Å
348I33.3Very low50.7Low140 Ų140119.5 Ų119.572%0.71862%0.619SS**  trans-66.597158.8-62.2174.9000103.7N346 A350N346-I348 HydrophobicContact CB-CG1 4.31Å; N346-I348 PolarHBondContact O-N 3.42Å; I348-A350 PolarHBondContact O-N 2.88Å
349F31.4Very low47.6Very low176 Ų176128.7 Ų128.777%0.77267%0.667SS**  trans-59.994.9155.8-89.3-88.6000106I347 V351I347-F349 HydrophobicContact CG2-CD2 3.6Å; I347-F349 HydrophobicContact CG2-CE2 3.66Å; I347-F349 HydrophobicContact CG2-CG 4.4Å; I347-F349 PolarHBondContact O-N 3.16Å; F349-V351 PolarHBondContact O-N 3.18Å
350A34.6Very low44.1Very low93 Ų93125.7 Ų125.777%0.76967%0.671SS**  trans-68.5106.2155.900000105.7I348I348-A350 PolarHBondContact O-N 2.88Å
351V43.8Very low40.3Very low201 Ų201132.2 Ų132.2100%1.21871%0.71SS**  trans-76.901691770000109.1F349F349-V351 PolarHBondContact O-N 3.18Å

Retrieved 351 of 351 residues in 196.2 ms (Link to these results)

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