X6RFT7_HUMAN Loading...

PC-esterase domain containing 1A

AlphaFold DB , UniProt , Accession X6RFT7, Species HUMAN (Homo sapiens, Human), Gene PCED1A, Length 280 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M38.6Very low36.5Very low223 Ų223159.2 Ų159.2100%1.09984%0.838SS**  0105.20-154179.8-71.400105.7
2V30.8Very low36.4Very low143 Ų143164.3 Ų164.387%0.86784%0.837SS**  trans-86.3117.1-172.4176.50000107.5C4V2-C4 PolarHBondContact O-N 3.29Å
3F31.2Very low36.4Very low180 Ų180161.4 Ų161.479%0.78984%0.836SS**  trans-78106.6170-75.9-84.5000108.1L5F3-L5 PolarHBondContact O-N 3.3Å
4C32.1Very low36.8Very low121 Ų121161.1 Ų161.182%0.81884%0.836SS**  trans-75.996.8168.3-159.20000107.3V2 S6V2-C4 PolarHBondContact O-N 3.29Å; C4-S6 PolarHBondContact O-N 3.2Å
5L36.9Very low37.4Very low160 Ų160165.1 Ų165.184%0.83884%0.835SS**  trans-79.297.7166.1-72.3165.9000106.6F3 S7F3-L5 PolarHBondContact O-N 3.3Å; L5-S7 PolarHBondContact O-N 3.1Å; L5-S7 VanDerWaalsContact O-N 3.1Å
6S38.3Very low38.4Very low103 Ų103158.1 Ų158.172%0.7281%0.807SS**  trans-64.2106.816349.80000107.6C4 E8C4-S6 PolarHBondContact O-N 3.2Å; S6-E8 VanDerWaalsContact C-N 3.32Å; S6-E8 PolarHBondContact O-N 3.28Å
7S37.8Very low40.3Very low111 Ų111154.8 Ų154.878%0.77679%0.791SS**  trans-70.789.3168.5560000108.6L5 E9L5-S7 PolarHBondContact O-N 3.1Å; L5-S7 VanDerWaalsContact O-N 3.1Å; S7-E9 PolarHBondContact O-N 3.03Å
8E40.8Very low42.6Very low181 Ų181147.8 Ų147.885%0.84676%0.755SS**  trans-71.7114.3153.8-73.3-163.1153.200106.6S6S6-E8 VanDerWaalsContact C-N 3.32Å; S6-E8 PolarHBondContact O-N 3.28Å
9E35.6Very low45Very low170 Ų170141.4 Ų141.479%0.79472%0.723SS**  trans-58.1133.2169.7-72.9-151.5153.600108.6S7 R11S7-E9 PolarHBondContact O-N 3.03Å; E9-R11 PolarHBondContact O-N 3.37Å
10P38.6Very low47.4Very low116 Ų116139.3 Ų139.375%0.75371%0.71SS**  trans-60.3117.5169.325.2-30.6000107.1R12P10-R12 PolarHBondContact O-N 2.91Å
11R40.5Very low49.6Very low243 Ų243133.2 Ų133.292%0.91768%0.679SS**  trans-49.3112.7169.6-73.3-177-176.5179.32.3106.7E9E9-R11 PolarHBondContact O-N 3.37Å
12R35.4Very low52.4Low220 Ų220126.6 Ų126.683%0.8365%0.645SS**  trans-52.5134.5171-72.4178.5178.6179.30.1106.8P10 L14P10-R12 PolarHBondContact O-N 2.91Å; R12-L14 VanDerWaalsContact C-N 3.32Å; R12-L14 PolarHBondContact O-N 3.02Å
13P35.9Very low55.5Low127 Ų127120.1 Ų120.183%0.82561%0.607SS**  trans-62.2107.2166.40.312.6000104.9R15P13-R15 PolarHBondContact O-N 3.16Å; P13-R15 VanDerWaalsContact O-N 3.07Å
14L42.6Very low58.6Low158 Ų158114.5 Ų114.583%0.82759%0.59SS**  trans-56.2119.6162.8-77.4160.9000103.8R12 S16R12-L14 VanDerWaalsContact C-N 3.32Å; R12-L14 PolarHBondContact O-N 3.02Å; L14-S16 PolarHBondContact O-N 2.99Å
15R45.5Very low61.7Low220 Ų220110.6 Ų110.683%0.8356%0.56SS**  trans-55.4100.5156-99.9-178.5173178.7-1.5103.8P13 D17P13-R15 PolarHBondContact O-N 3.16Å; P13-R15 VanDerWaalsContact O-N 3.07Å; R15-D17 PolarHBondContact O-N 3.07Å
16S53.2Low64.6Low54 Ų54103 Ų10338%0.37852%0.52SS..  trans-67.496.2169-169.60000104.3L14 M18 T263L14-S16 PolarHBondContact O-N 2.99Å; S16-M18 PolarHBondContact O-N 2.85Å; S16-M18 VanDerWaalsContact O-N 3.11Å; S16-T263 VanDerWaalsContact OG-CG2 3.22Å; S16-T263 WeakPolarHBondContact OG-CG2 3.36Å
17D71.1Confident67.5Low101 Ų101101.5 Ų101.554%0.5450%0.501SS..PPolyproline II helixtrans-58117.3171.9-76.1-28.7000106R15 V19R15-D17 PolarHBondContact O-N 3.07Å; D17-V19 WeakPolarHBondContact O-CG2 3.22Å; D17-V19 PolarHBondContact O-N 2.78Å
18M81.9Confident70.3Confident30 Ų30103.8 Ų103.815%0.14850%0.5CS..PPolyproline II helixtrans-52.6130.3-175.9178.5-155.861.900110.3S16 H20 H256 H259 L260S16-M18 PolarHBondContact O-N 2.85Å; S16-M18 VanDerWaalsContact O-N 3.11Å; M18-H20 VanDerWaalsContact CE-CE1 3.42Å; M18-H20 WeakPolarHBondContact CE-CE1 3.23Å; M18-H256 WeakPolarHBondContact CE-CE1 3.4Å; M18-H256 WeakPolarHBondContact CE-ND1 3.37Å; M18-H256 PolarHBondContact SD-CE1 3.23Å; M18-H256 PolarHBondContact SD-ND1 2.95Å; M18-H259 HydrophobicContact CG-CB 4.12Å; M18-H259 HydrophobicContact SD-CB 3.84Å; M18-L260 HydrophobicContact CB-CD2 3.79Å; M18-L260 HydrophobicContact CG-CD2 3.73Å; M18-L260 HydrophobicContact CG-CG 4.03Å; M18-L260 HydrophobicContact SD-CD2 3.99Å; M18-L260 HydrophobicContact SD-CG 3.84Å
19V88.1Confident73Confident25 Ų2595.8 Ų95.815%0.15246%0.463CS..PPolyproline II helixtrans-99.1139.4179.1-178.80000110.7D17 F21 H259 T263 L273 P274D17-V19 WeakPolarHBondContact O-CG2 3.22Å; D17-V19 PolarHBondContact O-N 2.78Å; V19-F21 HydrophobicContact CB-CE2 4.22Å; V19-F21 WeakPolarHBondContact O-CD2 3.5Å; V19-H259 WeakPolarHBondContact O-CB 3.44Å; V19-T263 PolarHBondContact N-OG1 2.88Å; V19-T263 VanDerWaalsContact N-OG1 3.11Å; V19-L273 HydrophobicContact CG2-CB 4.1Å; V19-L273 HydrophobicContact CG2-CD1 3.91Å; V19-L273 HydrophobicContact CG2-CG 4.42Å; V19-P274 HydrophobicContact CG1-CB 4.14Å; V19-P274 HydrophobicContact CG1-CG 4.21Å
20H92.4Very high76Confident100 Ų10087.8 Ų87.846%0.46343%0.426SS..  trans-85112171.9-69-61.8000110.5M18 H259 R276M18-H20 VanDerWaalsContact CE-CE1 3.42Å; M18-H20 WeakPolarHBondContact CE-CE1 3.23Å; H20-H259 AromaticContact CE1-ND1 3.96Å; H20-H259 AromaticContact CG-ND1 3.94Å; H20-H259 AromaticContact ND1-CE1 3.49Å; H20-H259 PolarHBondContact ND1-CE1 3.34Å; H20-H259 AromaticContact ND1-ND1 3Å; H20-H259 PolarHBondContact ND1-ND1 2.89Å; H20-R276 PolarHBondContact O-NH1 3.11Å
21F94.3Very high78.9Confident11 Ų1186.3 Ų86.35%0.04841%0.409CS..  trans-84.4139.2177.6-68-100.2000112V19 E25 V26 L29 H259 L262 A266 L273V19-F21 HydrophobicContact CB-CE2 4.22Å; V19-F21 WeakPolarHBondContact O-CD2 3.5Å; F21-E25 WeakPolarHBondContact CA-OE2 3.42Å; F21-E25 HydrophobicContact CD1-CB 4.02Å; F21-V26 HydrophobicContact CB-CG2 3.61Å; F21-V26 HydrophobicContact CG-CG2 4.35Å; F21-L29 HydrophobicContact CE1-CD2 4.11Å; F21-L29 HydrophobicContact CZ-CD2 4.49Å; F21-H259 PolarHBondContact N-CD2 2.69Å; F21-H259 VanDerWaalsContact N-CD2 3.31Å; F21-H259 PolarHBondContact N-NE2 2.77Å; F21-H259 VanDerWaalsContact N-NE2 3.14Å; F21-H259 PolarHBondContact O-NE2 3.48Å; F21-L262 HydrophobicContact CB-CD1 4.42Å; F21-L262 HydrophobicContact CD2-CB 3.79Å; F21-L262 HydrophobicContact CD2-CD1 4.41Å; F21-L262 HydrophobicContact CE1-CB 4.47Å; F21-L262 HydrophobicContact CE2-CB 3.66Å; F21-L262 HydrophobicContact CG-CB 4.27Å; F21-L262 HydrophobicContact CG-CD1 4.38Å; F21-L262 HydrophobicContact CZ-CB 4.01Å; F21-A266 HydrophobicContact CZ-CB 4.35Å; F21-L273 HydrophobicContact CE1-CD2 4.28Å; F21-L273 HydrophobicContact CE2-CD2 4.39Å; F21-L273 HydrophobicContact CZ-CD2 3.55Å
22Q96.4Very high81.6Confident84 Ų8479.5 Ų79.539%0.39339%0.39SS..  trans-87.3159162.5-80.3172.223.300110.7S24 E25 V26 D57 R276Q22-S24 VanDerWaalsContact C-N 3.27Å; Q22-S24 PolarHBondContact O-N 3.22Å; Q22-E25 HydrophobicContact CB-CG 4.48Å; Q22-E25 PolarHBondContact N-OE2 2.66Å; Q22-E25 WeakPolarHBondContact O-CB 3.33Å; Q22-E25 PolarHBondContact O-N 2.82Å; Q22-V26 WeakPolarHBondContact O-CG2 3.3Å; Q22-V26 PolarHBondContact O-N 2.68Å; Q22-D57 WeakPolarHBondContact CA-OD1 3.11Å; Q22-R276 VanDerWaalsContact NE2-NH2 3.2Å
23A97Very high84.6Confident7 Ų771.9 Ų71.96%0.05836%0.363CS..Hα-helixtrans-52-43.6179.900000113.2E25 V26 Q27 L53 D57A23-E25 VanDerWaalsContact C-N 3.31Å; A23-E25 PolarHBondContact O-N 3.28Å; A23-V26 PolarHBondContact O-N 2.78Å; A23-Q27 WeakPolarHBondContact O-CB 3.46Å; A23-Q27 VanDerWaalsContact O-CG 3.24Å; A23-Q27 WeakPolarHBondContact O-CG 3.44Å; A23-Q27 PolarHBondContact O-N 2.76Å; A23-L53 WeakPolarHBondContact CA-O 3.25Å; A23-L53 WeakPolarHBondContact CB-O 3.41Å; A23-D57 PolarHBondContact N-OD1 3.4Å
24S96.8Very high87.6Confident62 Ų6266.3 Ų66.343%0.43433%0.326SS..Hα-helixtrans-62.2-36177.852.30000113.3Q22 Q28Q22-S24 VanDerWaalsContact C-N 3.27Å; Q22-S24 PolarHBondContact O-N 3.22Å; S24-Q28 WeakPolarHBondContact O-CB 3.5Å; S24-Q28 PolarHBondContact O-N 3.04Å
25E97.3Very high90.3Very high39 Ų3958.8 Ų58.818%0.18229%0.287CS..Hα-helixtrans-74.9-36.8178.2-62.8164.5159.400110.9F21 Q22 A23 Q28 L29 P274 R276F21-E25 WeakPolarHBondContact CA-OE2 3.42Å; F21-E25 HydrophobicContact CD1-CB 4.02Å; Q22-E25 HydrophobicContact CB-CG 4.48Å; Q22-E25 PolarHBondContact N-OE2 2.66Å; Q22-E25 WeakPolarHBondContact O-CB 3.33Å; Q22-E25 PolarHBondContact O-N 2.82Å; A23-E25 VanDerWaalsContact C-N 3.31Å; A23-E25 PolarHBondContact O-N 3.28Å; E25-Q28 PolarHBondContact O-N 3.11Å; E25-L29 VanDerWaalsContact O-CB 3.31Å; E25-L29 WeakPolarHBondContact O-CB 3.42Å; E25-L29 PolarHBondContact O-N 3.41Å; E25-P274 HydrophobicContact CB-CG 4.41Å; E25-P274 HydrophobicContact CG-CG 4.05Å; E25-P274 VanDerWaalsContact OE1-CB 3.25Å; E25-P274 WeakPolarHBondContact OE1-CB 3.27Å; E25-P274 VanDerWaalsContact OE1-CG 3.23Å; E25-P274 WeakPolarHBondContact OE1-CG 3.33Å; E25-R276 IonicContact OE1-CZ 3.64Å; E25-R276 IonicContact OE1-NE 3.96Å; E25-R276 IonicContact OE1-NH2 2.68Å; E25-R276 PolarHBondContact OE1-NH2 2.83Å; E25-R276 IonicContact OE2-CZ 3.62Å; E25-R276 IonicContact OE2-NH2 2.66Å; E25-R276 PolarHBondContact OE2-NH2 3.39Å
26V97.9Very high92.8Very high0 Ų048.3 Ų48.30%025%0.247CC..Hα-helixtrans-65.1-44.4172.9-176.40000110.7F21 Q22 A23 Q28 L29 L30 L50 L53 L54 L262F21-V26 HydrophobicContact CB-CG2 3.61Å; F21-V26 HydrophobicContact CG-CG2 4.35Å; Q22-V26 WeakPolarHBondContact O-CG2 3.3Å; Q22-V26 PolarHBondContact O-N 2.68Å; A23-V26 PolarHBondContact O-N 2.78Å; V26-Q28 VanDerWaalsContact C-N 3.32Å; V26-Q28 PolarHBondContact O-N 3.32Å; V26-L29 PolarHBondContact O-N 2.91Å; V26-L30 HydrophobicContact CG1-CD1 3.92Å; V26-L30 HydrophobicContact CG1-CG 4.44Å; V26-L30 WeakPolarHBondContact O-CB 3.42Å; V26-L30 PolarHBondContact O-N 3.36Å; V26-L50 HydrophobicContact CG1-CD1 3.9Å; V26-L53 HydrophobicContact CG2-CB 4.42Å; V26-L54 HydrophobicContact CG1-CD2 3.89Å; V26-L54 HydrophobicContact CG1-CG 4.2Å; V26-L262 HydrophobicContact CG1-CD1 4.15Å; V26-L262 HydrophobicContact CG1-CD2 4.19Å; V26-L262 HydrophobicContact CG2-CD1 3.68Å
27Q97.8Very high95Very high72 Ų7245.8 Ų45.834%0.33623%0.229SC..Hα-helixtrans-58.2-45.5174.2-73.6169.3-12.200111A23 L30 H31 L54 H106A23-Q27 WeakPolarHBondContact O-CB 3.46Å; A23-Q27 VanDerWaalsContact O-CG 3.24Å; A23-Q27 WeakPolarHBondContact O-CG 3.44Å; A23-Q27 PolarHBondContact O-N 2.76Å; Q27-L30 CarbonylContact O-C 3.55Å; Q27-L30 PolarHBondContact O-N 3.26Å; Q27-H31 WeakPolarHBondContact O-CA 3.37Å; Q27-H31 WeakPolarHBondContact O-CB 3.36Å; Q27-H31 PolarHBondContact O-N 3.26Å; Q27-L54 HydrophobicContact CG-CD2 4.27Å; Q27-L54 PolarHBondContact NE2-O 2.88Å; Q27-H106 WeakPolarHBondContact CA-NE2 3.34Å; Q27-H106 PolarHBondContact O-NE2 2.98Å
28Q97.5Very high96.3Very high159 Ų15941 Ų4174%0.74320%0.204SC*.Hα-helixtrans-64.6-45.8177.9-175.4176.11.200112.3S24 E25 V26 L30 H31S24-Q28 WeakPolarHBondContact O-CB 3.5Å; S24-Q28 PolarHBondContact O-N 3.04Å; E25-Q28 PolarHBondContact O-N 3.11Å; V26-Q28 VanDerWaalsContact C-N 3.32Å; V26-Q28 PolarHBondContact O-N 3.32Å; Q28-L30 VanDerWaalsContact C-N 3.31Å; Q28-L30 PolarHBondContact O-N 3.44Å; Q28-H31 WeakPolarHBondContact O-CB 3.31Å; Q28-H31 PolarHBondContact O-N 2.96Å
29L98.3Very high97.1Very high14 Ų1439.5 Ų39.57%0.07320%0.196CC..Hα-helixtrans-61.7-40.4179.7178.760.6000111.6F21 E25 V26 L262 V265 A266 W269 V271F21-L29 HydrophobicContact CE1-CD2 4.11Å; F21-L29 HydrophobicContact CZ-CD2 4.49Å; E25-L29 VanDerWaalsContact O-CB 3.31Å; E25-L29 WeakPolarHBondContact O-CB 3.42Å; E25-L29 PolarHBondContact O-N 3.41Å; V26-L29 PolarHBondContact O-N 2.91Å; L29-L262 HydrophobicContact CD2-CB 4.31Å; L29-L262 HydrophobicContact CD2-CD2 4Å; L29-V265 HydrophobicContact CD2-CG1 4.49Å; L29-A266 HydrophobicContact CD1-CB 3.94Å; L29-A266 HydrophobicContact CD2-CB 4.02Å; L29-W269 HydrophobicContact CD1-CE3 3.82Å; L29-W269 HydrophobicContact CD1-CZ3 4.17Å; L29-W269 HydrophobicContact CG-CE3 4.45Å; L29-W269 HydrophobicContact CG-CZ3 4.32Å; L29-W269 WeakPolarHBondContact O-CZ3 3.31Å; L29-V271 HydrophobicContact CD1-CB 4.05Å; L29-V271 HydrophobicContact CD1-CG1 4.09Å; L29-V271 HydrophobicContact CD1-CG2 3.95Å
30L98.4Very high97.5Very high2 Ų238.6 Ų38.61%0.0119%0.191CC..THydrogen-bonded Turntrans-98.517.1-176.8-57.9-177.7000113.4V26 Q27 Q28 N32 K33 V35 L50 L54 H106 L262 W269V26-L30 HydrophobicContact CG1-CD1 3.92Å; V26-L30 HydrophobicContact CG1-CG 4.44Å; V26-L30 WeakPolarHBondContact O-CB 3.42Å; V26-L30 PolarHBondContact O-N 3.36Å; Q27-L30 CarbonylContact O-C 3.55Å; Q27-L30 PolarHBondContact O-N 3.26Å; Q28-L30 VanDerWaalsContact C-N 3.31Å; Q28-L30 PolarHBondContact O-N 3.44Å; L30-N32 PolarHBondContact O-N 3.04Å; L30-K33 HydrophobicContact CB-CB 4.42Å; L30-K33 VanDerWaalsContact O-CB 3.3Å; L30-K33 WeakPolarHBondContact O-CB 3.5Å; L30-K33 PolarHBondContact O-N 2.93Å; L30-K33 VanDerWaalsContact O-N 3.1Å; L30-V35 HydrophobicContact CD1-CG2 4.27Å; L30-V35 HydrophobicContact CD2-CG2 4.06Å; L30-L50 HydrophobicContact CD1-CD1 3.84Å; L30-L50 HydrophobicContact CD1-CD2 4.18Å; L30-L50 HydrophobicContact CD1-CG 4.37Å; L30-L54 HydrophobicContact CB-CD2 4.4Å; L30-L54 HydrophobicContact CD1-CD2 4.27Å; L30-H106 PolarHBondContact O-CD2 3.48Å; L30-L262 HydrophobicContact CD1-CD2 4.2Å; L30-W269 HydrophobicContact CD2-CH2 4.01Å; L30-W269 HydrophobicContact CD2-CZ3 3.9Å
31H98.1Very high97.6Very high85 Ų8534.6 Ų34.639%0.39417%0.174SC..THydrogen-bonded Turntrans-67.2127.3-177.9-175.6-86.4000111.5Q27 Q28 K33 H105Q27-H31 WeakPolarHBondContact O-CA 3.37Å; Q27-H31 WeakPolarHBondContact O-CB 3.36Å; Q27-H31 PolarHBondContact O-N 3.26Å; Q28-H31 WeakPolarHBondContact O-CB 3.31Å; Q28-H31 PolarHBondContact O-N 2.96Å; H31-K33 PolarHBondContact O-N 2.96Å; H31-H105 AromaticContact NE2-CD2 3.69Å; H31-H105 AromaticContact NE2-CG 3.51Å; H31-H105 AromaticContact NE2-ND1 3.81Å
32N97.8Very high97.8Very high99 Ų9934.6 Ų34.653%0.52917%0.174SC..THydrogen-bonded Turntrans56.432.3-171.2-67.3-28.3000113.6L30 H105L30-N32 PolarHBondContact O-N 3.04Å; N32-H105 WeakPolarHBondContact CA-O 3.42Å; N32-H105 PolarHBondContact N-O 3.44Å; N32-H105 PolarHBondContact OD1-ND1 3.42Å
33K98.3Very high97.9Very high61 Ų6130.7 Ų30.727%0.26516%0.156SC..EExtended strand (participates in β ladder)trans-105.7140.5178.6-58.3-65.1173.5179.30112.3L30 H31 L107 D135 W269L30-K33 HydrophobicContact CB-CB 4.42Å; L30-K33 VanDerWaalsContact O-CB 3.3Å; L30-K33 WeakPolarHBondContact O-CB 3.5Å; L30-K33 PolarHBondContact O-N 2.93Å; L30-K33 VanDerWaalsContact O-N 3.1Å; H31-K33 PolarHBondContact O-N 2.96Å; K33-L107 PolarHBondContact O-N 2.95Å; K33-L107 VanDerWaalsContact O-N 3.16Å; K33-D135 WeakPolarHBondContact CA-OD2 3.42Å; K33-D135 HydrophobicContact CB-CB 4.27Å; K33-D135 HydrophobicContact CD-CB 3.55Å; K33-D135 VanDerWaalsContact CD-OD1 3.24Å; K33-D135 WeakPolarHBondContact CD-OD1 3.09Å; K33-D135 HydrophobicContact CG-CB 4.5Å; K33-D135 IonicContact NZ-OD1 3.41Å; K33-D135 PolarHBondContact NZ-OD1 3.11Å; K33-W269 HydrophobicContact CD-CH2 4.07Å; K33-W269 HydrophobicContact CD-CZ3 4.46Å; K33-W269 HydrophobicContact CG-CH2 4.06Å; K33-W269 HydrophobicContact CG-CZ3 4.26Å
34F98.6Very high97.9Very high9 Ų931.1 Ų31.14%0.03916%0.156CC..EExtended strand (participates in β ladder)trans-99.5111.7163.7179.3-154000110.4V36 L107 R109 L128 P132 P134 D135 L136F34-V36 HydrophobicContact CD1-CG2 4.37Å; F34-V36 HydrophobicContact CD2-CG2 4.17Å; F34-V36 HydrophobicContact CE1-CG2 3.73Å; F34-V36 HydrophobicContact CE2-CG2 3.49Å; F34-V36 VanDerWaalsContact CE2-CG2 3.49Å; F34-V36 HydrophobicContact CZ-CG2 3.24Å; F34-L107 WeakPolarHBondContact CA-O 3.47Å; F34-L107 HydrophobicContact CB-CB 4.46Å; F34-L107 HydrophobicContact CB-CD2 4.3Å; F34-L107 HydrophobicContact CD1-CD2 4.33Å; F34-L107 HydrophobicContact CD2-CB 3.98Å; F34-L107 HydrophobicContact CD2-CD2 3.5Å; F34-L107 VanDerWaalsContact CD2-CD2 3.5Å; F34-L107 HydrophobicContact CD2-CG 3.44Å; F34-L107 VanDerWaalsContact CD2-CG 3.44Å; F34-L107 HydrophobicContact CE2-CD2 3.84Å; F34-L107 HydrophobicContact CE2-CG 3.81Å; F34-L107 HydrophobicContact CG-CD2 3.79Å; F34-L107 HydrophobicContact CG-CG 4.17Å; F34-L107 HydrophobicContact CZ-CD2 4.39Å; F34-R109 HydrophobicContact CE2-CB 3.69Å; F34-R109 HydrophobicContact CZ-CB 4.13Å; F34-L128 HydrophobicContact CE1-CD2 4.09Å; F34-L128 HydrophobicContact CZ-CD2 4.32Å; F34-P132 HydrophobicContact CD1-CB 4.04Å; F34-P132 VanDerWaalsContact CD1-O 3.3Å; F34-P132 WeakPolarHBondContact CD1-O 3.23Å; F34-P132 HydrophobicContact CE1-CB 4.34Å; F34-P132 WeakPolarHBondContact CE1-O 3.46Å; F34-P134 HydrophobicContact CD1-CB 4.04Å; F34-P134 HydrophobicContact CE1-CB 4.29Å; F34-D135 PolarHBondContact N-OD2 2.86Å; F34-D135 PolarHBondContact O-N 3.4Å; F34-L136 PolarHBondContact O-N 3.3Å
35V98.9Very high98Very high1 Ų128.5 Ų28.51%0.00614%0.138CC..EExtended strand (participates in β ladder)trans-102.8126.7177.8-176.50000110L30 I37 L50 L107 V108 R109 L136 I138L30-V35 HydrophobicContact CD1-CG2 4.27Å; L30-V35 HydrophobicContact CD2-CG2 4.06Å; V35-I37 HydrophobicContact CG1-CG1 4.22Å; V35-L50 HydrophobicContact CG1-CD2 4.17Å; V35-L107 PolarHBondContact N-O 2.74Å; V35-V108 HydrophobicContact CB-CG1 4.24Å; V35-V108 HydrophobicContact CB-CG2 4.35Å; V35-V108 HydrophobicContact CG1-CG1 4.38Å; V35-V108 CarbonylContact O-C 3.6Å; V35-V108 VanDerWaalsContact O-CA 3.28Å; V35-V108 WeakPolarHBondContact O-CA 3.24Å; V35-R109 PolarHBondContact O-N 2.84Å; V35-L136 CarbonylContact C-O 3.57Å; V35-L136 WeakPolarHBondContact CA-O 3.06Å; V35-L136 HydrophobicContact CG1-CB 4.37Å; V35-L136 HydrophobicContact CG1-CD2 3.92Å; V35-L136 HydrophobicContact CG1-CG 4.1Å; V35-L136 HydrophobicContact CG2-CB 4.28Å; V35-L136 HydrophobicContact CG2-CD2 4.18Å; V35-I138 HydrophobicContact CG1-CD1 3.7Å
36V98.9Very high98.1Very high0 Ų026.7 Ų26.70%013%0.13CC..EExtended strand (participates in β ladder)trans-113.4130.8175.8176.70000109.4F34 L38 R109 Y111 L128 P134 L136 V137 I138F34-V36 HydrophobicContact CD1-CG2 4.37Å; F34-V36 HydrophobicContact CD2-CG2 4.17Å; F34-V36 HydrophobicContact CE1-CG2 3.73Å; F34-V36 HydrophobicContact CE2-CG2 3.49Å; F34-V36 VanDerWaalsContact CE2-CG2 3.49Å; F34-V36 HydrophobicContact CZ-CG2 3.24Å; V36-L38 HydrophobicContact CG1-CD2 4.18Å; V36-L38 HydrophobicContact CG1-CG 4.08Å; V36-R109 CarbonylContact C-O 3.56Å; V36-R109 WeakPolarHBondContact CA-O 3.33Å; V36-Y111 HydrophobicContact CG1-CD2 4.01Å; V36-Y111 HydrophobicContact CG1-CE2 3.99Å; V36-L128 HydrophobicContact CG1-CD1 4.5Å; V36-L128 HydrophobicContact CG2-CD2 3.89Å; V36-P134 HydrophobicContact CG2-CB 3.85Å; V36-L136 PolarHBondContact N-O 3.05Å; V36-V137 HydrophobicContact CB-CG2 4.22Å; V36-V137 CarbonylContact O-C 3.56Å; V36-V137 WeakPolarHBondContact O-CA 3.19Å; V36-I138 PolarHBondContact O-N 2.9Å
37I98.9Very high98.1Very high0 Ų026.7 Ų26.70%013%0.13CC..EExtended strand (participates in β ladder)trans-120.5122.1179.3-57.2173.3000108.8V35 Q43 V46 Y47 L50 V108 R109 F110 Y111 I138V35-I37 HydrophobicContact CG1-CG1 4.22Å; I37-Q43 HydrophobicContact CG2-CB 3.91Å; I37-V46 HydrophobicContact CD1-CG1 4.39Å; I37-Y47 HydrophobicContact CD1-CD2 4.31Å; I37-L50 HydrophobicContact CD1-CD2 4.27Å; I37-V108 HydrophobicContact CD1-CG1 4.13Å; I37-R109 PolarHBondContact N-O 2.96Å; I37-F110 HydrophobicContact CB-CD2 4.18Å; I37-F110 HydrophobicContact CG2-CD2 3.98Å; I37-F110 CarbonylContact O-C 3.35Å; I37-F110 VanDerWaalsContact O-CA 3.27Å; I37-F110 WeakPolarHBondContact O-CA 3.35Å; I37-F110 WeakPolarHBondContact O-CD2 3.44Å; I37-Y111 PolarHBondContact O-N 3.11Å; I37-I138 CarbonylContact C-O 3.56Å; I37-I138 WeakPolarHBondContact CA-O 3.38Å; I37-I138 HydrophobicContact CD1-CD1 4.26Å; I37-I138 HydrophobicContact CG1-CB 4.28Å; I37-I138 HydrophobicContact CG1-CD1 3.81Å
38L98.9Very high98.2Very high0 Ų023.3 Ų23.30%011%0.114CC..EExtended strand (participates in β ladder)trans-118.7123.3-176.6-63.1168.6000109.1V36 Y111 L113 V124 V137 I138 I139 N140 M168V36-L38 HydrophobicContact CG1-CD2 4.18Å; V36-L38 HydrophobicContact CG1-CG 4.08Å; L38-Y111 HydrophobicContact CD2-CD2 3.76Å; L38-Y111 HydrophobicContact CD2-CG 4Å; L38-L113 HydrophobicContact CB-CD1 3.87Å; L38-L113 HydrophobicContact CB-CG 4.32Å; L38-V124 HydrophobicContact CD2-CG1 4.04Å; L38-V137 HydrophobicContact CD1-CG1 3.89Å; L38-I138 PolarHBondContact N-O 2.82Å; L38-I139 HydrophobicContact CB-CB 4.06Å; L38-I139 HydrophobicContact CB-CD1 4.14Å; L38-I139 HydrophobicContact CB-CG1 3.89Å; L38-I139 HydrophobicContact CD1-CB 4.37Å; L38-I139 HydrophobicContact CD1-CD1 3.97Å; L38-I139 HydrophobicContact CD1-CG1 4.43Å; L38-I139 WeakPolarHBondContact O-CA 3.31Å; L38-N140 PolarHBondContact O-N 2.94Å; L38-M168 HydrophobicContact CD1-CE 3.72Å
39G98.2Very high98.2Very high0 Ų015.8 Ų15.80%08%0.079CC..EExtended strand (participates in β ladder)trans157.6-159.2172.300000115Y111 F112 L113 N140G39-Y111 PolarHBondContact N-O 2.81Å; G39-Y111 VanDerWaalsContact N-O 3.13Å; G39-F112 CarbonylContact O-C 3.56Å; G39-F112 VanDerWaalsContact O-CA 3.25Å; G39-F112 WeakPolarHBondContact O-CA 3.24Å; G39-L113 PolarHBondContact O-N 2.68Å; G39-N140 WeakPolarHBondContact CA-O 3.41Å
40D96.5Very high98.2Very high6 Ų615.4 Ų15.43%0.0328%0.077CC..SBendtrans-88.2-157.7-173.569.516000113.8I42 Q43 R44 F112 W144D40-I42 PolarHBondContact O-N 3.47Å; D40-I42 VanDerWaalsContact OD1-CB 3.31Å; D40-I42 WeakPolarHBondContact OD1-CB 3.45Å; D40-I42 PolarHBondContact OD1-N 3.35Å; D40-Q43 PolarHBondContact O-N 2.87Å; D40-Q43 VanDerWaalsContact O-N 3.16Å; D40-R44 PolarHBondContact O-N 3.36Å; D40-F112 VanDerWaalsContact C-CE2 3.47Å; D40-F112 HydrophobicContact CB-CZ 4.26Å; D40-W144 VanDerWaalsContact CB-CD1 3.44Å
41S95.9Very high98.2Very high16 Ų1615.3 Ų15.311%0.1128%0.076CC..Hα-helixtrans-63.9-25.9179.748.40000113.8R44 A45 F112 H248S41-R44 VanDerWaalsContact CB-NH2 3.28Å; S41-A45 PolarHBondContact O-N 2.68Å; S41-A45 VanDerWaalsContact O-N 3.16Å; S41-F112 VanDerWaalsContact N-CE2 3.34Å; S41-H248 PolarHBondContact OG-NE2 2.91Å
42I97.1Very high98.2Very high11 Ų1111.3 Ų11.36%0.0566%0.058CC..Hα-helixtrans-68.9-44.6173.9-58.1-57000109D40 A45 V46 M184 L257D40-I42 PolarHBondContact O-N 3.47Å; D40-I42 VanDerWaalsContact OD1-CB 3.31Å; D40-I42 WeakPolarHBondContact OD1-CB 3.45Å; D40-I42 PolarHBondContact OD1-N 3.35Å; I42-A45 WeakPolarHBondContact O-CB 3.2Å; I42-A45 PolarHBondContact O-N 3.19Å; I42-A45 VanDerWaalsContact O-N 3.11Å; I42-V46 WeakPolarHBondContact O-CG2 3.43Å; I42-V46 PolarHBondContact O-N 2.94Å; I42-M184 HydrophobicContact CG2-SD 3.81Å; I42-L257 HydrophobicContact CG2-CD1 4.48Å
43Q98.3Very high98.2Very high1 Ų16.6 Ų6.61%0.0053%0.033CC..Hα-helixtrans-70.8-30177.1-57.3-47.6-51.500112.6I37 D40 A45 V46 Y47 F110 N140 N181I37-Q43 HydrophobicContact CG2-CB 3.91Å; D40-Q43 PolarHBondContact O-N 2.87Å; D40-Q43 VanDerWaalsContact O-N 3.16Å; Q43-A45 VanDerWaalsContact C-N 3.27Å; Q43-A45 PolarHBondContact O-N 3.44Å; Q43-V46 WeakPolarHBondContact O-CB 3.48Å; Q43-V46 PolarHBondContact O-N 2.97Å; Q43-Y47 PolarHBondContact O-N 3.05Å; Q43-F110 HydrophobicContact CB-CE2 4.18Å; Q43-N140 HydrophobicContact CG-CB 3.68Å; Q43-N181 PolarHBondContact OE1-ND2 3.47Å
44R98.4Very high98.2Very high17 Ų174 Ų46%0.0642%0.022CC..Hα-helixtrans-58.5-41.7167.3-175.4172.359.3-118.4-13111.3D40 S41 Y47 K48 E95 F110 F112D40-R44 PolarHBondContact O-N 3.36Å; S41-R44 VanDerWaalsContact CB-NH2 3.28Å; R44-Y47 WeakPolarHBondContact O-CB 3.06Å; R44-Y47 PolarHBondContact O-N 3.14Å; R44-K48 HydrophobicContact CG-CD 4.22Å; R44-K48 HydrophobicContact CG-CG 4.44Å; R44-K48 VanDerWaalsContact O-CG 3.3Å; R44-K48 WeakPolarHBondContact O-CG 3.16Å; R44-K48 PolarHBondContact O-N 3.39Å; R44-E95 WeakPolarHBondContact CD-OE1 3.35Å; R44-E95 VanDerWaalsContact CD-OE2 3.24Å; R44-E95 WeakPolarHBondContact CD-OE2 3.47Å; R44-E95 IonicContact CZ-OE2 3.45Å; R44-E95 IonicContact NE-OE2 3.74Å; R44-E95 IonicContact NH1-OE2 2.68Å; R44-E95 PolarHBondContact NH1-OE2 3.38Å; R44-F110 HydrophobicContact CB-CE1 3.79Å; R44-F110 HydrophobicContact CB-CE2 4.08Å; R44-F110 HydrophobicContact CB-CZ 3.56Å; R44-F110 HydrophobicContact CG-CD1 4.38Å; R44-F110 HydrophobicContact CG-CE1 3.93Å; R44-F110 HydrophobicContact CG-CZ 4.23Å; R44-F112 VanDerWaalsContact NH1-CE2 3.35Å
45A98.4Very high98.1Very high6 Ų66 Ų65%0.053%0.031CC..Hα-helixtrans-68.8-34.3176.800000112.3S41 I42 Q43 K48 D49 L65 H254S41-A45 PolarHBondContact O-N 2.68Å; S41-A45 VanDerWaalsContact O-N 3.16Å; I42-A45 WeakPolarHBondContact O-CB 3.2Å; I42-A45 PolarHBondContact O-N 3.19Å; I42-A45 VanDerWaalsContact O-N 3.11Å; Q43-A45 VanDerWaalsContact C-N 3.27Å; Q43-A45 PolarHBondContact O-N 3.44Å; A45-K48 PolarHBondContact O-N 2.87Å; A45-D49 WeakPolarHBondContact O-CB 3.46Å; A45-D49 PolarHBondContact O-N 3.47Å; A45-L65 HydrophobicContact CB-CD2 3.76Å; A45-H254 WeakPolarHBondContact CB-CE1 3.3Å; A45-H254 WeakPolarHBondContact CB-ND1 3.38Å
46V98.5Very high98Very high1 Ų19.6 Ų9.61%0.0065%0.047CC..Hα-helixtrans-59.3-48.9169.1178.50000110.8I37 I42 Q43 K48 D49 L50 L257 L261I37-V46 HydrophobicContact CD1-CG1 4.39Å; I42-V46 WeakPolarHBondContact O-CG2 3.43Å; I42-V46 PolarHBondContact O-N 2.94Å; Q43-V46 WeakPolarHBondContact O-CB 3.48Å; Q43-V46 PolarHBondContact O-N 2.97Å; V46-K48 PolarHBondContact O-N 3.14Å; V46-D49 PolarHBondContact O-N 3.14Å; V46-L50 WeakPolarHBondContact O-CB 3.4Å; V46-L50 PolarHBondContact O-N 3.39Å; V46-L257 HydrophobicContact CB-CD2 4.49Å; V46-L257 HydrophobicContact CG1-CD2 4.15Å; V46-L257 HydrophobicContact CG2-CD1 3.69Å; V46-L257 HydrophobicContact CG2-CD2 3.5Å; V46-L257 VanDerWaalsContact CG2-CD2 3.5Å; V46-L257 HydrophobicContact CG2-CG 4.2Å; V46-L261 HydrophobicContact CG1-CD2 4.08Å
47Y98.9Very high97.9Very high0 Ų014.1 Ų14.10%07%0.071CC..Hα-helixtrans-56.2-50.3174.8165.7-92.4000111.8I37 Q43 R44 D49 L50 V51 D76 R97 Q98 F99 V108 F110I37-Y47 HydrophobicContact CD1-CD2 4.31Å; Q43-Y47 PolarHBondContact O-N 3.05Å; R44-Y47 WeakPolarHBondContact O-CB 3.06Å; R44-Y47 PolarHBondContact O-N 3.14Å; Y47-D49 VanDerWaalsContact C-N 3.33Å; Y47-D49 PolarHBondContact O-N 3.49Å; Y47-L50 PolarHBondContact O-N 2.99Å; Y47-V51 HydrophobicContact CD1-CG2 4.42Å; Y47-V51 HydrophobicContact CD2-CG2 4.21Å; Y47-V51 HydrophobicContact CE1-CG2 3.98Å; Y47-V51 HydrophobicContact CE2-CG2 3.79Å; Y47-V51 WeakPolarHBondContact O-CG2 3.29Å; Y47-V51 PolarHBondContact O-N 3.48Å; Y47-D76 WeakPolarHBondContact CE1-OD2 3.49Å; Y47-D76 WeakPolarHBondContact OH-CB 3.41Å; Y47-D76 PolarHBondContact OH-OD2 3Å; Y47-R97 HydrophobicContact CD1-CB 4.48Å; Y47-R97 HydrophobicContact CE1-CB 3.67Å; Y47-R97 HydrophobicContact CE1-CG 4.33Å; Y47-R97 HydrophobicContact CE2-CB 4.4Å; Y47-R97 WeakPolarHBondContact OH-CB 3.42Å; Y47-Q98 VanDerWaalsContact OH-C 3.29Å; Y47-Q98 PolarHBondContact OH-N 3.31Å; Y47-F99 PolarHBondContact OH-N 3Å; Y47-V108 HydrophobicContact CD2-CB 4.46Å; Y47-V108 HydrophobicContact CD2-CG1 3.59Å; Y47-V108 HydrophobicContact CE2-CB 4.15Å; Y47-V108 HydrophobicContact CE2-CG1 3.76Å; Y47-F110 HydrophobicContact CD1-CB 4.04Å; Y47-F110 HydrophobicContact CD2-CB 3.41Å; Y47-F110 VanDerWaalsContact CD2-CB 3.41Å; Y47-F110 HydrophobicContact CD2-CG 4.5Å; Y47-F110 HydrophobicContact CE1-CB 4.49Å; Y47-F110 HydrophobicContact CE2-CB 3.9Å; Y47-F110 HydrophobicContact CG-CB 3.48Å; Y47-F110 VanDerWaalsContact CG-CB 3.48Å; Y47-F110 HydrophobicContact CG-CG 4.14Å
48K98.8Very high97.8Very high2 Ų216.8 Ų16.81%0.0099%0.089CC..Hα-helixtrans-63.5-39.3-178.9-69.8-178.278162.60111.8R44 A45 V46 L52 L60 Q64 E70 F73R44-K48 HydrophobicContact CG-CD 4.22Å; R44-K48 HydrophobicContact CG-CG 4.44Å; R44-K48 VanDerWaalsContact O-CG 3.3Å; R44-K48 WeakPolarHBondContact O-CG 3.16Å; R44-K48 PolarHBondContact O-N 3.39Å; A45-K48 PolarHBondContact O-N 2.87Å; V46-K48 PolarHBondContact O-N 3.14Å; K48-L52 WeakPolarHBondContact O-CB 3.25Å; K48-L52 PolarHBondContact O-N 3.22Å; K48-L60 HydrophobicContact CB-CD1 4.12Å; K48-L60 HydrophobicContact CB-CD2 3.98Å; K48-Q64 WeakPolarHBondContact CE-O 3.49Å; K48-Q64 PolarHBondContact NZ-O 3.38Å; K48-E70 IonicContact NZ-OE1 2.73Å; K48-E70 PolarHBondContact NZ-OE1 3.28Å; K48-E70 IonicContact NZ-OE2 3.72Å; K48-F73 HydrophobicContact CB-CD1 4.14Å; K48-F73 HydrophobicContact CB-CE1 3.58Å; K48-F73 HydrophobicContact CB-CE2 4.42Å; K48-F73 HydrophobicContact CB-CZ 3.75Å; K48-F73 HydrophobicContact CD-CD1 4.47Å; K48-F73 HydrophobicContact CD-CG 4.43Å; K48-F73 VanDerWaalsContact CE-CE2 3.42Å; K48-F73 VanDerWaalsContact CE-CG 3.41Å; K48-F73 HydrophobicContact CG-CD1 3.85Å; K48-F73 HydrophobicContact CG-CE1 3.84Å; K48-F73 HydrophobicContact CG-CG 4.29Å; K48-F73 HydrophobicContact CG-CZ 4.25Å; K48-F73 VanDerWaalsContact O-CE1 3.23Å; K48-F73 WeakPolarHBondContact O-CE1 3.44Å; K48-F73 WeakPolarHBondContact O-CZ 3.25Å
49D98.7Very high97.8Very high0 Ų019.7 Ų19.70%010%0.104CC..Hα-helixtrans-68.5-38.8177.7-167.665.7000111.4A45 V46 Y47 L52 L53 L60 R255 S258A45-D49 WeakPolarHBondContact O-CB 3.46Å; A45-D49 PolarHBondContact O-N 3.47Å; V46-D49 PolarHBondContact O-N 3.14Å; Y47-D49 VanDerWaalsContact C-N 3.33Å; Y47-D49 PolarHBondContact O-N 3.49Å; D49-L52 WeakPolarHBondContact O-CB 3.46Å; D49-L52 PolarHBondContact O-N 3.13Å; D49-L53 WeakPolarHBondContact O-CB 3.43Å; D49-L53 WeakPolarHBondContact O-CG 3.42Å; D49-L53 PolarHBondContact O-N 3.05Å; D49-L60 HydrophobicContact CB-CD1 3.82Å; D49-L60 HydrophobicContact CB-CG 4.32Å; D49-R255 IonicContact OD1-CZ 2.8Å; D49-R255 IonicContact OD1-NE 3.78Å; D49-R255 PolarHBondContact OD1-NE 3.34Å; D49-R255 IonicContact OD1-NH2 3.3Å; D49-R255 PolarHBondContact OD1-NH2 3.02Å; D49-R255 IonicContact OD2-CZ 3.68Å; D49-R255 IonicContact OD2-NE 3.6Å; D49-R255 PolarHBondContact OD2-NE 2.93Å; D49-R255 IonicContact OD2-NH2 3.72Å; D49-S258 VanDerWaalsContact OD2-CB 3.26Å; D49-S258 WeakPolarHBondContact OD2-CB 3.27Å; D49-S258 PolarHBondContact OD2-OG 3.08Å
50L98.6Very high97.8Very high7 Ų719.8 Ų19.84%0.03711%0.105CC..Hα-helixtrans-66.4-44.3176.1-173.562.2000112.1V26 L30 V35 I37 V46 Y47 L52 L53 L54 V108 L262V26-L50 HydrophobicContact CG1-CD1 3.9Å; L30-L50 HydrophobicContact CD1-CD1 3.84Å; L30-L50 HydrophobicContact CD1-CD2 4.18Å; L30-L50 HydrophobicContact CD1-CG 4.37Å; V35-L50 HydrophobicContact CG1-CD2 4.17Å; I37-L50 HydrophobicContact CD1-CD2 4.27Å; V46-L50 WeakPolarHBondContact O-CB 3.4Å; V46-L50 PolarHBondContact O-N 3.39Å; Y47-L50 PolarHBondContact O-N 2.99Å; L50-L52 PolarHBondContact O-N 3.22Å; L50-L53 PolarHBondContact O-N 2.78Å; L50-L54 HydrophobicContact CG-CD1 4.31Å; L50-L54 WeakPolarHBondContact O-CB 3.18Å; L50-L54 WeakPolarHBondContact O-CG 3.36Å; L50-L54 PolarHBondContact O-N 2.69Å; L50-V108 HydrophobicContact CD2-CG1 4.2Å; L50-V108 HydrophobicContact CD2-CG2 4.4Å; L50-L262 HydrophobicContact CD1-CD1 4.42Å; L50-L262 HydrophobicContact CD1-CD2 4.18Å
51V98.6Very high97.8Very high0 Ų023 Ų230%013%0.125CC..Hα-helixtrans-58.2-39.8173.8166.90000111Y47 Q55 F73 E74 F99Y47-V51 HydrophobicContact CD1-CG2 4.42Å; Y47-V51 HydrophobicContact CD2-CG2 4.21Å; Y47-V51 HydrophobicContact CE1-CG2 3.98Å; Y47-V51 HydrophobicContact CE2-CG2 3.79Å; Y47-V51 WeakPolarHBondContact O-CG2 3.29Å; Y47-V51 PolarHBondContact O-N 3.48Å; V51-Q55 WeakPolarHBondContact O-CG 3.41Å; V51-Q55 PolarHBondContact O-NE2 3.14Å; V51-F73 HydrophobicContact CB-CE1 4.07Å; V51-F73 HydrophobicContact CG1-CD1 4.17Å; V51-F73 HydrophobicContact CG1-CE1 3.91Å; V51-E74 HydrophobicContact CG1-CB 4.22Å; V51-F99 HydrophobicContact CB-CG 4.42Å; V51-F99 HydrophobicContact CG1-CB 4.2Å; V51-F99 HydrophobicContact CG1-CD2 3.71Å; V51-F99 HydrophobicContact CG1-CE2 4.19Å; V51-F99 HydrophobicContact CG1-CG 3.89Å; V51-F99 HydrophobicContact CG2-CB 3.54Å; V51-F99 HydrophobicContact CG2-CD1 4.27Å; V51-F99 HydrophobicContact CG2-CG 3.88Å
52L98.1Very high97.8Very high1 Ų124.8 Ų24.81%0.00514%0.141CC..Hα-helixtrans-67-47.3176.1-165.171.7000111.5K48 D49 L50 L54 Q55 K56 S58 L59 L60 E74K48-L52 WeakPolarHBondContact O-CB 3.25Å; K48-L52 PolarHBondContact O-N 3.22Å; D49-L52 WeakPolarHBondContact O-CB 3.46Å; D49-L52 PolarHBondContact O-N 3.13Å; L50-L52 PolarHBondContact O-N 3.22Å; L52-L54 VanDerWaalsContact C-N 3.31Å; L52-L54 PolarHBondContact O-N 3.22Å; L52-Q55 PolarHBondContact O-N 3.42Å; L52-K56 HydrophobicContact CD1-CD 4.41Å; L52-K56 HydrophobicContact CD1-CG 4.28Å; L52-K56 HydrophobicContact CG-CG 4.44Å; L52-K56 PolarHBondContact O-N 3.19Å; L52-K56 VanDerWaalsContact O-O 3.09Å; L52-S58 WeakPolarHBondContact CD2-O 3.38Å; L52-L59 VanDerWaalsContact CD2-C 3.42Å; L52-L60 HydrophobicContact CD2-CD2 4.01Å; L52-L60 HydrophobicContact CD2-CG 4.18Å; L52-E74 HydrophobicContact CD1-CG 3.75Å; L52-E74 WeakPolarHBondContact CD1-OE1 3.48Å
53L97.1Very high97.8Very high0 Ų027.7 Ų27.70%017%0.166CC..Hα-helixtrans-61.9-34.7178.6-85174.9000112.9A23 V26 D49 L50 Q55 R255 L262A23-L53 WeakPolarHBondContact CA-O 3.25Å; A23-L53 WeakPolarHBondContact CB-O 3.41Å; V26-L53 HydrophobicContact CG2-CB 4.42Å; D49-L53 WeakPolarHBondContact O-CB 3.43Å; D49-L53 WeakPolarHBondContact O-CG 3.42Å; D49-L53 PolarHBondContact O-N 3.05Å; L50-L53 PolarHBondContact O-N 2.78Å; L53-Q55 PolarHBondContact O-N 3.25Å; L53-Q55 VanDerWaalsContact O-N 3.12Å; L53-R255 VanDerWaalsContact CD2-NH1 3.28Å; L53-L262 HydrophobicContact CD1-CD1 4.31Å
54L98.1Very high97.8Very high7 Ų729.4 Ų29.44%0.03717%0.174CC..THydrogen-bonded Turntrans-66-9.4173.6-77.5167.9000113.3V26 Q27 L30 L50 L52 F99 H106 V108V26-L54 HydrophobicContact CG1-CD2 3.89Å; V26-L54 HydrophobicContact CG1-CG 4.2Å; Q27-L54 HydrophobicContact CG-CD2 4.27Å; Q27-L54 PolarHBondContact NE2-O 2.88Å; L30-L54 HydrophobicContact CB-CD2 4.4Å; L30-L54 HydrophobicContact CD1-CD2 4.27Å; L50-L54 HydrophobicContact CG-CD1 4.31Å; L50-L54 WeakPolarHBondContact O-CB 3.18Å; L50-L54 WeakPolarHBondContact O-CG 3.36Å; L50-L54 PolarHBondContact O-N 2.69Å; L52-L54 VanDerWaalsContact C-N 3.31Å; L52-L54 PolarHBondContact O-N 3.22Å; L54-F99 HydrophobicContact CB-CE1 4.16Å; L54-F99 HydrophobicContact CD1-CD1 4.24Å; L54-F99 HydrophobicContact CD1-CE1 4.07Å; L54-H106 HydrophobicContact CD1-CB 4.37Å; L54-H106 HydrophobicContact CD2-CB 4.37Å; L54-V108 HydrophobicContact CD1-CG2 3.57Å
55Q96.9Very high97.7Very high50 Ų5030 Ų3023%0.23418%0.178CC..THydrogen-bonded Turntrans-118.5-40.5-177.1-65.5177.374.900113V51 L52 L53 E74 F99V51-Q55 WeakPolarHBondContact O-CG 3.41Å; V51-Q55 PolarHBondContact O-NE2 3.14Å; L52-Q55 PolarHBondContact O-N 3.42Å; L53-Q55 PolarHBondContact O-N 3.25Å; L53-Q55 VanDerWaalsContact O-N 3.12Å; Q55-E74 PolarHBondContact NE2-O 3.1Å; Q55-E74 PolarHBondContact OE1-O 3.3Å; Q55-F99 HydrophobicContact CG-CE2 4.25Å; Q55-F99 HydrophobicContact CG-CZ 3.91Å
56K96.6Very high97.4Very high77 Ų7737.4 Ų37.434%0.33521%0.21SC..  trans-161.4152.7-173.161.8-165.4-179.4-156.10113.4L52 S58 E74L52-K56 HydrophobicContact CD1-CD 4.41Å; L52-K56 HydrophobicContact CD1-CG 4.28Å; L52-K56 HydrophobicContact CG-CG 4.44Å; L52-K56 PolarHBondContact O-N 3.19Å; L52-K56 VanDerWaalsContact O-O 3.09Å; K56-S58 PolarHBondContact O-N 2.87Å; K56-E74 IonicContact NZ-OE1 3.11Å; K56-E74 PolarHBondContact NZ-OE1 3.31Å; K56-E74 IonicContact NZ-OE2 2.82Å; K56-E74 PolarHBondContact NZ-OE2 2.93Å
57D96.5Very high97.3Very high95 Ų9538.8 Ų38.851%0.50822%0.221SC..SBendtrans-78.148.8177.4-64.2-67.3000113.9Q22 A23Q22-D57 WeakPolarHBondContact CA-OD1 3.11Å; A23-D57 PolarHBondContact N-OD1 3.4Å
58S96.8Very high97Very high55 Ų5542.3 Ų42.339%0.38524%0.237SC..  trans-115.3149.4178.9-63.40000110.8L52 K56 R255L52-S58 WeakPolarHBondContact CD2-O 3.38Å; K56-S58 PolarHBondContact O-N 2.87Å; S58-R255 PolarHBondContact O-NH1 3.08Å; S58-R255 PolarHBondContact O-NH2 3.35Å
59L97.9Very high96.9Very high61 Ų6142.2 Ų42.232%0.31924%0.236SC..PPolyproline II helixtrans-77.6155.1168.9-64.1174.1000111L52 Q251 H252 R255L52-L59 VanDerWaalsContact CD2-C 3.42Å; L59-Q251 HydrophobicContact CB-CB 4.3Å; L59-Q251 HydrophobicContact CB-CG 4.04Å; L59-Q251 HydrophobicContact CD1-CG 4.03Å; L59-H252 WeakPolarHBondContact CD1-CE1 3.41Å; L59-R255 HydrophobicContact CD2-CB 3.45Å; L59-R255 VanDerWaalsContact CD2-CB 3.45Å; L59-R255 HydrophobicContact CD2-CG 3.64Å
60L98.2Very high96.8Very high3 Ų344 Ų442%0.01625%0.245CC..PPolyproline II helixtrans-58.4141.4165.2-70.4170.3000110.6K48 D49 L52 Q64 L65 F73 Q251K48-L60 HydrophobicContact CB-CD1 4.12Å; K48-L60 HydrophobicContact CB-CD2 3.98Å; D49-L60 HydrophobicContact CB-CD1 3.82Å; D49-L60 HydrophobicContact CB-CG 4.32Å; L52-L60 HydrophobicContact CD2-CD2 4.01Å; L52-L60 HydrophobicContact CD2-CG 4.18Å; L60-Q64 HydrophobicContact CD2-CB 4.12Å; L60-L65 HydrophobicContact CB-CD2 4.36Å; L60-L65 HydrophobicContact CB-CG 4.06Å; L60-L65 HydrophobicContact CD1-CD2 3.6Å; L60-L65 HydrophobicContact CD1-CG 4.19Å; L60-F73 HydrophobicContact CD2-CE2 3.83Å; L60-F73 HydrophobicContact CD2-CZ 3.48Å; L60-F73 VanDerWaalsContact CD2-CZ 3.48Å; L60-Q251 HydrophobicContact CB-CB 4.3Å; L60-Q251 WeakPolarHBondContact O-CB 3.35Å; L60-Q251 WeakPolarHBondContact O-CG 3.43Å
61T98Very high96.8Very high72 Ų7248.6 Ų48.644%0.44227%0.269SS..PPolyproline II helixtrans-77.8156.5168.364.90000110.7A63 Q64 L65T61-A63 PolarHBondContact O-N 2.91Å; T61-Q64 PolarHBondContact O-N 2.94Å; T61-Q64 WeakPolarHBondContact OG1-CB 3.36Å; T61-Q64 VanDerWaalsContact OG1-CG 3.25Å; T61-Q64 WeakPolarHBondContact OG1-CG 3.4Å; T61-Q64 PolarHBondContact OG1-N 3.49Å; T61-Q64 VanDerWaalsContact OG1-N 3.15Å; T61-Q64 PolarHBondContact OG1-OE1 3.35Å; T61-L65 PolarHBondContact O-N 3.02Å
62A95.9Very high96.8Very high54 Ų5451.8 Ų51.845%0.44629%0.291SS..Hα-helixtrans-58.5-29.6173.800000113.1K66A62-K66 VanDerWaalsContact O-CG 3.31Å; A62-K66 WeakPolarHBondContact O-CG 3.38Å; A62-K66 PolarHBondContact O-N 3Å
63A96.8Very high96.8Very high72 Ų7252 Ų5260%0.59529%0.292SS*.Hα-helixtrans-69.6-44.7174.300000111.1T61 L65 K66 A67T61-A63 PolarHBondContact O-N 2.91Å; A63-L65 PolarHBondContact O-N 2.77Å; A63-K66 PolarHBondContact O-N 3.49Å; A63-A67 WeakPolarHBondContact O-CB 3.42Å; A63-A67 PolarHBondContact O-N 3.32Å
64Q97.7Very high96.8Very high37 Ų3754.4 Ų54.417%0.17330%0.303CS..Hα-helixtrans-62.8-40.3176.1-73.6165.3-42.900111.8K48 L60 T61 K66 A67 F73 E74K48-Q64 WeakPolarHBondContact CE-O 3.49Å; K48-Q64 PolarHBondContact NZ-O 3.38Å; L60-Q64 HydrophobicContact CD2-CB 4.12Å; T61-Q64 PolarHBondContact O-N 2.94Å; T61-Q64 WeakPolarHBondContact OG1-CB 3.36Å; T61-Q64 VanDerWaalsContact OG1-CG 3.25Å; T61-Q64 WeakPolarHBondContact OG1-CG 3.4Å; T61-Q64 PolarHBondContact OG1-N 3.49Å; T61-Q64 VanDerWaalsContact OG1-N 3.15Å; T61-Q64 PolarHBondContact OG1-OE1 3.35Å; Q64-K66 VanDerWaalsContact C-N 3.31Å; Q64-K66 PolarHBondContact O-N 3.31Å; Q64-A67 PolarHBondContact O-N 2.72Å; Q64-F73 HydrophobicContact CB-CE2 4.01Å; Q64-F73 HydrophobicContact CG-CD2 4.25Å; Q64-F73 HydrophobicContact CG-CE2 3.81Å; Q64-E74 PolarHBondContact NE2-OE1 3Å; Q64-E74 VanDerWaalsContact NE2-OE1 3.08Å
65L95.9Very high96.7Very high29 Ų2961 Ų6115%0.15233%0.334CS..Hα-helixtrans-62.6-36.5175.5-78.2170.7000113.2A45 L60 T61 A63 Q251A45-L65 HydrophobicContact CB-CD2 3.76Å; L60-L65 HydrophobicContact CB-CD2 4.36Å; L60-L65 HydrophobicContact CB-CG 4.06Å; L60-L65 HydrophobicContact CD1-CD2 3.6Å; L60-L65 HydrophobicContact CD1-CG 4.19Å; T61-L65 PolarHBondContact O-N 3.02Å; A63-L65 PolarHBondContact O-N 2.77Å; L65-Q251 HydrophobicContact CD1-CB 3.85Å
66K93.2Very high96.8Very high163 Ų16358.9 Ų58.971%0.70932%0.324SS*.Hα-helixtrans-78.5-29.3-179.8-73.2175.7-178.4179.60113.4A62 A63 Q64A62-K66 VanDerWaalsContact O-CG 3.31Å; A62-K66 WeakPolarHBondContact O-CG 3.38Å; A62-K66 PolarHBondContact O-N 3Å; A63-K66 PolarHBondContact O-N 3.49Å; Q64-K66 VanDerWaalsContact C-N 3.31Å; Q64-K66 PolarHBondContact O-N 3.31Å
67A95.3Very high96.9Very high30 Ų3060.1 Ų60.125%0.24833%0.331CS..  trans-65.9140.6-179.100000111.3A63 Q64 E70A63-A67 WeakPolarHBondContact O-CB 3.42Å; A63-A67 PolarHBondContact O-N 3.32Å; Q64-A67 PolarHBondContact O-N 2.72Å; A67-E70 WeakPolarHBondContact CB-OE2 3.5Å
68K94.2Very high97Very high74 Ų7456.3 Ų56.332%0.32231%0.31SS..  trans-145.5143.2-179.764.4176.8-175.9170.60110.1E70 N89K68-E70 PolarHBondContact O-N 3.04Å; K68-E70 VanDerWaalsContact O-N 3.15Å; K68-N89 PolarHBondContact NZ-OD1 2.92Å
69G95.9Very high97Very high0 Ų057 Ų570%031%0.312CS..SBendtrans62.517.6177.700000114.5L78 Q83 E95G69-L78 VanDerWaalsContact O-CD2 3.32Å; G69-L78 WeakPolarHBondContact O-CD2 3.38Å; G69-Q83 WeakPolarHBondContact O-CB 3.26Å; G69-Q83 WeakPolarHBondContact O-CG 3.31Å; G69-Q83 PolarHBondContact O-N 2.98Å; G69-E95 WeakPolarHBondContact CA-OE1 3.2Å; G69-E95 PolarHBondContact N-OE1 2.73Å
70E97.4Very high97Very high38 Ų3856 Ų5618%0.17831%0.313CS..  trans-65.3143.117661.8-136.4118.600111.1K48 A67 K68 S72 F73 Q83 R97K48-E70 IonicContact NZ-OE1 2.73Å; K48-E70 PolarHBondContact NZ-OE1 3.28Å; K48-E70 IonicContact NZ-OE2 3.72Å; A67-E70 WeakPolarHBondContact CB-OE2 3.5Å; K68-E70 PolarHBondContact O-N 3.04Å; K68-E70 VanDerWaalsContact O-N 3.15Å; E70-S72 PolarHBondContact O-N 3.47Å; E70-S72 VanDerWaalsContact O-N 3.13Å; E70-F73 HydrophobicContact CG-CB 4.23Å; E70-Q83 VanDerWaalsContact CA-OE1 3.3Å; E70-R97 PolarHBondContact O-NH1 3.12Å; E70-R97 PolarHBondContact O-NH2 3.41Å
71L98.1Very high97Very high103 Ų10356.9 Ų56.954%0.53932%0.323SS..SBendtrans-54.5-33.5-178.9-68.2178.3000113.5L78 Q83 L84L71-L78 HydrophobicContact CD2-CD2 4.42Å; L71-L78 WeakPolarHBondContact O-CB 3.41Å; L71-L78 PolarHBondContact O-N 3.31Å; L71-Q83 HydrophobicContact CD2-CB 4.03Å; L71-Q83 HydrophobicContact CG-CB 4.35Å; L71-L84 HydrophobicContact CD2-CD2 3.82Å; L71-L84 HydrophobicContact CD2-CG 4.33Å
72S98.2Very high96.8Very high67 Ų6753.5 Ų53.547%0.46930%0.302SS..  trans-154.3145177.6179.10000110.7E70 D76E70-S72 PolarHBondContact O-N 3.47Å; E70-S72 VanDerWaalsContact O-N 3.13Å; S72-D76 VanDerWaalsContact CB-O 3.28Å; S72-D76 WeakPolarHBondContact CB-O 3.48Å; S72-D76 PolarHBondContact OG-O 3.15Å
73F98.1Very high96.8Very high6 Ų656.2 Ų56.23%0.02631%0.305CS..SBendtrans-134.8119.6172.7162.7-98.2000107.9K48 V51 L60 Q64 E70 Q75 D76K48-F73 HydrophobicContact CB-CD1 4.14Å; K48-F73 HydrophobicContact CB-CE1 3.58Å; K48-F73 HydrophobicContact CB-CE2 4.42Å; K48-F73 HydrophobicContact CB-CZ 3.75Å; K48-F73 HydrophobicContact CD-CD1 4.47Å; K48-F73 HydrophobicContact CD-CG 4.43Å; K48-F73 VanDerWaalsContact CE-CE2 3.42Å; K48-F73 VanDerWaalsContact CE-CG 3.41Å; K48-F73 HydrophobicContact CG-CD1 3.85Å; K48-F73 HydrophobicContact CG-CE1 3.84Å; K48-F73 HydrophobicContact CG-CG 4.29Å; K48-F73 HydrophobicContact CG-CZ 4.25Å; K48-F73 VanDerWaalsContact O-CE1 3.23Å; K48-F73 WeakPolarHBondContact O-CE1 3.44Å; K48-F73 WeakPolarHBondContact O-CZ 3.25Å; V51-F73 HydrophobicContact CB-CE1 4.07Å; V51-F73 HydrophobicContact CG1-CD1 4.17Å; V51-F73 HydrophobicContact CG1-CE1 3.91Å; L60-F73 HydrophobicContact CD2-CE2 3.83Å; L60-F73 HydrophobicContact CD2-CZ 3.48Å; L60-F73 VanDerWaalsContact CD2-CZ 3.48Å; Q64-F73 HydrophobicContact CB-CE2 4.01Å; Q64-F73 HydrophobicContact CG-CD2 4.25Å; Q64-F73 HydrophobicContact CG-CE2 3.81Å; E70-F73 HydrophobicContact CG-CB 4.23Å; F73-Q75 VanDerWaalsContact C-N 3.34Å; F73-Q75 PolarHBondContact O-N 3.26Å; F73-D76 WeakPolarHBondContact CA-OD1 3.49Å; F73-D76 PolarHBondContact N-OD1 2.66Å; F73-D76 VanDerWaalsContact O-CB 3.24Å; F73-D76 WeakPolarHBondContact O-CB 3.38Å; F73-D76 PolarHBondContact O-N 3.48Å; F73-D76 VanDerWaalsContact O-OD1 3.07Å
74E96.7Very high96.8Very high49 Ų4957.7 Ų57.723%0.22930%0.303CS..THydrogen-bonded Turntrans45.455.1174.3-62.7-80.3-179.200112.7V51 L52 Q55 K56 Q64 D76V51-E74 HydrophobicContact CG1-CB 4.22Å; L52-E74 HydrophobicContact CD1-CG 3.75Å; L52-E74 WeakPolarHBondContact CD1-OE1 3.48Å; Q55-E74 PolarHBondContact NE2-O 3.1Å; Q55-E74 PolarHBondContact OE1-O 3.3Å; K56-E74 IonicContact NZ-OE1 3.11Å; K56-E74 PolarHBondContact NZ-OE1 3.31Å; K56-E74 IonicContact NZ-OE2 2.82Å; K56-E74 PolarHBondContact NZ-OE2 2.93Å; Q64-E74 PolarHBondContact NE2-OE1 3Å; Q64-E74 VanDerWaalsContact NE2-OE1 3.08Å; E74-D76 PolarHBondContact O-N 2.99Å; E74-D76 VanDerWaalsContact O-N 3.16Å
75Q96.6Very high96.6Very high146 Ų14658.1 Ų58.168%0.68232%0.317SS*.THydrogen-bonded Turntrans68.24.3178.9-48.517313.900115.8F73 F99F73-Q75 VanDerWaalsContact C-N 3.34Å; F73-Q75 PolarHBondContact O-N 3.26Å; Q75-F99 HydrophobicContact CB-CE2 4.44Å
76D98.3Very high96.3Very high6 Ų664.1 Ų64.13%0.03235%0.345CS..  trans-73.9174.3165.695.5-13.1000111.4Y47 S72 F73 E74 R97 Q98 F99Y47-D76 WeakPolarHBondContact CE1-OD2 3.49Å; Y47-D76 WeakPolarHBondContact OH-CB 3.41Å; Y47-D76 PolarHBondContact OH-OD2 3Å; S72-D76 VanDerWaalsContact CB-O 3.28Å; S72-D76 WeakPolarHBondContact CB-O 3.48Å; S72-D76 PolarHBondContact OG-O 3.15Å; F73-D76 WeakPolarHBondContact CA-OD1 3.49Å; F73-D76 PolarHBondContact N-OD1 2.66Å; F73-D76 VanDerWaalsContact O-CB 3.24Å; F73-D76 WeakPolarHBondContact O-CB 3.38Å; F73-D76 PolarHBondContact O-N 3.48Å; F73-D76 VanDerWaalsContact O-OD1 3.07Å; E74-D76 PolarHBondContact O-N 2.99Å; E74-D76 VanDerWaalsContact O-N 3.16Å; D76-R97 IonicContact OD1-CZ 2.61Å; D76-R97 IonicContact OD1-NE 3.75Å; D76-R97 IonicContact OD1-NH2 3.57Å; D76-R97 PolarHBondContact OD1-NH2 2.79Å; D76-R97 IonicContact OD2-CZ 3.58Å; D76-R97 IonicContact OD2-NE 3.72Å; D76-R97 PolarHBondContact OD2-NE 2.84Å; D76-R97 IonicContact OD2-NH2 2.71Å; D76-R97 PolarHBondContact OD2-NH2 3.17Å; D76-Q98 WeakPolarHBondContact CA-O 3.48Å; D76-Q98 WeakPolarHBondContact CB-O 3.27Å; D76-F99 HydrophobicContact CB-CB 3.9Å; D76-F99 HydrophobicContact CB-CD2 4.3Å
77Q98.4Very high96.2Very high103 Ų10360.3 Ų60.348%0.48133%0.331SS..EExtended strand (participates in β ladder)trans-129.9144171.962.9-174700111V79 R97 Q98Q77-V79 HydrophobicContact CG-CG2 4.23Å; Q77-V79 PolarHBondContact O-N 2.99Å; Q77-R97 WeakPolarHBondContact O-CA 3.12Å; Q77-Q98 HydrophobicContact CG-CB 4.34Å; Q77-Q98 WeakPolarHBondContact CG-O 3.37Å; Q77-Q98 PolarHBondContact N-O 3.32Å; Q77-Q98 PolarHBondContact O-N 3.06Å
78L98.7Very high96Very high14 Ų1461.6 Ų61.67%0.07333%0.332CS..EExtended strand (participates in β ladder)trans-75.6117.4163.2-175.364.9000108.8G69 L71 A80 G81 Q83 L84 E95 R97G69-L78 VanDerWaalsContact O-CD2 3.32Å; G69-L78 WeakPolarHBondContact O-CD2 3.38Å; L71-L78 HydrophobicContact CD2-CD2 4.42Å; L71-L78 WeakPolarHBondContact O-CB 3.41Å; L71-L78 PolarHBondContact O-N 3.31Å; L78-A80 WeakPolarHBondContact CD1-O 3.42Å; L78-G81 WeakPolarHBondContact CD2-O 3.44Å; L78-Q83 HydrophobicContact CD2-CB 4.3Å; L78-L84 HydrophobicContact CD2-CD1 4.36Å; L78-L84 HydrophobicContact CD2-CG 3.94Å; L78-L84 HydrophobicContact CG-CD1 4.08Å; L78-L84 HydrophobicContact CG-CG 4.22Å; L78-L84 WeakPolarHBondContact O-CD1 3.49Å; L78-E95 HydrophobicContact CD1-CG 3.94Å; L78-R97 HydrophobicContact CD1-CG 4.31Å
79V98.1Very high95.6Very high71 Ų7162.1 Ų62.143%0.4334%0.338SS..EExtended strand (participates in β ladder)trans-87.7-41.8-179178.60000110.7Q77 V96 Q98Q77-V79 HydrophobicContact CG-CG2 4.23Å; Q77-V79 PolarHBondContact O-N 2.99Å; V79-V96 HydrophobicContact CB-CB 4.13Å; V79-V96 HydrophobicContact CB-CG1 3.95Å; V79-V96 HydrophobicContact CG1-CG1 4.3Å; V79-V96 HydrophobicContact CG2-CG1 4.5Å; V79-V96 PolarHBondContact N-O 2.91Å; V79-Q98 HydrophobicContact CG2-CB 3.64Å
80A97.5Very high95.3Very high40 Ų4063.3 Ų63.333%0.33135%0.351SS..EExtended strand (participates in β ladder)trans-153.5157.9-179.700000112L78 E95 V96L78-A80 WeakPolarHBondContact CD1-O 3.42Å; A80-E95 WeakPolarHBondContact O-CA 3.49Å; A80-V96 HydrophobicContact CB-CB 4.09Å; A80-V96 HydrophobicContact CB-CG2 4.06Å; A80-V96 PolarHBondContact N-O 2.86Å; A80-V96 PolarHBondContact O-N 3.38Å
81G96.9Very high95.1Very high21 Ų2163.6 Ų63.622%0.21636%0.356CS..EExtended strand (participates in β ladder)trans68.9-151.9179.100000112.9L78 Q83 L84 G85 R94L78-G81 WeakPolarHBondContact CD2-O 3.44Å; G81-Q83 PolarHBondContact O-N 2.91Å; G81-L84 WeakPolarHBondContact O-CA 3.47Å; G81-L84 WeakPolarHBondContact O-CB 3.42Å; G81-L84 PolarHBondContact O-N 3.14Å; G81-G85 PolarHBondContact O-N 3.23Å; G81-R94 VanDerWaalsContact CA-O 3.27Å; G81-R94 WeakPolarHBondContact CA-O 3.5Å
82G94.9Very high94.8Very high1 Ų164.7 Ų64.71%0.0136%0.358CS..G310 helixtrans53.2-131-179.300000113.1L84 G85 R94G82-L84 VanDerWaalsContact C-N 3.25Å; G82-L84 PolarHBondContact O-N 3.37Å; G82-G85 CarbonylContact O-C 3.53Å; G82-G85 PolarHBondContact O-N 3Å; G82-G85 VanDerWaalsContact O-N 3.16Å; G82-G85 VanDerWaalsContact O-O 3.09Å; G82-R94 PolarHBondContact N-O 2.94Å
83Q96.6Very high94.6Very high110 Ų11061.8 Ų61.851%0.51434%0.337SS..G310 helixtrans-70.4-11.6174.9-78.7179.8-41.200114.8G69 E70 L71 L78 G81 L87G69-Q83 WeakPolarHBondContact O-CB 3.26Å; G69-Q83 WeakPolarHBondContact O-CG 3.31Å; G69-Q83 PolarHBondContact O-N 2.98Å; E70-Q83 VanDerWaalsContact CA-OE1 3.3Å; L71-Q83 HydrophobicContact CD2-CB 4.03Å; L71-Q83 HydrophobicContact CG-CB 4.35Å; L78-Q83 HydrophobicContact CD2-CB 4.3Å; G81-Q83 PolarHBondContact O-N 2.91Å; Q83-L87 HydrophobicContact CG-CD1 4.17Å
84L96.3Very high94.5Very high103 Ų10364.3 Ų64.354%0.53935%0.346SS..G310 helixtrans-80.9-7.5169.8-59.7176.4000112.2L71 L78 G81 G82L71-L84 HydrophobicContact CD2-CD2 3.82Å; L71-L84 HydrophobicContact CD2-CG 4.33Å; L78-L84 HydrophobicContact CD2-CD1 4.36Å; L78-L84 HydrophobicContact CD2-CG 3.94Å; L78-L84 HydrophobicContact CG-CD1 4.08Å; L78-L84 HydrophobicContact CG-CG 4.22Å; L78-L84 WeakPolarHBondContact O-CD1 3.49Å; G81-L84 WeakPolarHBondContact O-CA 3.47Å; G81-L84 WeakPolarHBondContact O-CB 3.42Å; G81-L84 PolarHBondContact O-N 3.14Å; G82-L84 VanDerWaalsContact C-N 3.25Å; G82-L84 PolarHBondContact O-N 3.37Å
85G92.9Very high94.6Very high47 Ų4762 Ų6249%0.48534%0.335SS..SBendtrans-137.4-152.9174.300000111.5G81 G82G81-G85 PolarHBondContact O-N 3.23Å; G82-G85 CarbonylContact O-C 3.53Å; G82-G85 PolarHBondContact O-N 3Å; G82-G85 VanDerWaalsContact O-N 3.16Å; G82-G85 VanDerWaalsContact O-O 3.09Å
86E90.4Very high94.6Very high155 Ų15555.4 Ų55.472%0.72431%0.305SS*.  trans-84.8129.4174.9-170.1-179.7167.200110.9H88E86-H88 PolarHBondContact O-CD2 3.26Å; E86-H88 VanDerWaalsContact O-CD2 3.24Å; E86-H88 PolarHBondContact O-N 2.93Å
87L91.2Very high94.7Very high82 Ų8255.1 Ų55.143%0.42930%0.304SS..  trans-82.6109.5170.8-72.6176.6000110.1Q83 Y93Q83-L87 HydrophobicContact CG-CD1 4.17Å; L87-Y93 HydrophobicContact CD2-CE2 4.1Å
88H90.3Very high94.7Very high57 Ų5752 Ų5226%0.26429%0.289SS..  trans-140.8173.5175.964.696000111.5E86 G90 Q92 Y93E86-H88 PolarHBondContact O-CD2 3.26Å; E86-H88 VanDerWaalsContact O-CD2 3.24Å; E86-H88 PolarHBondContact O-N 2.93Å; H88-G90 PolarHBondContact ND1-N 2.89Å; H88-G90 VanDerWaalsContact ND1-N 3.12Å; H88-Q92 VanDerWaalsContact CE1-C 3.41Å; H88-Y93 PolarHBondContact CE1-N 3.32Å; H88-Y93 VanDerWaalsContact O-CD2 3.31Å; H88-Y93 WeakPolarHBondContact O-CD2 3.05Å
89N86.8Confident94.7Very high85 Ų8551.4 Ų51.446%0.45529%0.286SS..  trans-112.528.7-180-59.4-39.4000111.9K68 R148K68-N89 PolarHBondContact NZ-OD1 2.92Å; N89-R148 PolarHBondContact O-NH1 3.49Å; N89-R148 VanDerWaalsContact O-NH1 3.13Å
90G89.4Confident94.7Very high26 Ų2651.2 Ų51.227%0.26829%0.287SS..SBendtrans-94.2168.8-176.300000112.4H88 Q92 Y93H88-G90 PolarHBondContact ND1-N 2.89Å; H88-G90 VanDerWaalsContact ND1-N 3.12Å; G90-Q92 PolarHBondContact O-N 3.01Å; G90-Q92 VanDerWaalsContact O-N 3.15Å; G90-Y93 VanDerWaalsContact O-CB 3.3Å; G90-Y93 WeakPolarHBondContact O-CB 3.4Å; G90-Y93 PolarHBondContact O-N 2.8Å
91T91.7Very high94.6Very high44 Ų4450 Ų5027%0.2728%0.276SS..THydrogen-bonded Turntrans-66.4-12.9178.851.80000113.7R94 T114 R148 Y149T91-R94 PolarHBondContact O-NH1 3.42Å; T91-T114 WeakPolarHBondContact O-CB 3.29Å; T91-T114 WeakPolarHBondContact O-CG2 3.44Å; T91-T114 PolarHBondContact O-OG1 2.8Å; T91-R148 HydrophobicContact CG2-CB 3.99Å; T91-Y149 HydrophobicContact CG2-CE1 4.11Å; T91-Y149 HydrophobicContact CG2-CE2 4.3Å
92Q93.3Very high94.4Very high126 Ų12653.2 Ų53.259%0.58931%0.309SS*.THydrogen-bonded Turntrans-92.36.8173.2-57.6-55.7-18.300113.8H88 G90 R94H88-Q92 VanDerWaalsContact CE1-C 3.41Å; G90-Q92 PolarHBondContact O-N 3.01Å; G90-Q92 VanDerWaalsContact O-N 3.15Å; Q92-R94 PolarHBondContact O-N 3.25Å; Q92-R94 PolarHBondContact O-NH1 3.18Å
93Y94.5Very high94.2Very high6 Ų656.6 Ų56.62%0.02433%0.332CS..  trans-63.9138177.7-176.7-108.6000110L87 H88 G90 E95 F112L87-Y93 HydrophobicContact CD2-CE2 4.1Å; H88-Y93 PolarHBondContact CE1-N 3.32Å; H88-Y93 VanDerWaalsContact O-CD2 3.31Å; H88-Y93 WeakPolarHBondContact O-CD2 3.05Å; G90-Y93 VanDerWaalsContact O-CB 3.3Å; G90-Y93 WeakPolarHBondContact O-CB 3.4Å; G90-Y93 PolarHBondContact O-N 2.8Å; Y93-E95 HydrophobicContact CE1-CB 3.82Å; Y93-E95 PolarHBondContact OH-OE2 2.65Å; Y93-F112 AromaticContact CD1-CD1 3.7Å; Y93-F112 HydrophobicContact CD1-CD1 3.7Å; Y93-F112 HydrophobicContact CD1-CD2 4.34Å; Y93-F112 AromaticContact CD1-CE1 3.89Å; Y93-F112 HydrophobicContact CD1-CE1 3.89Å; Y93-F112 AromaticContact CD1-CG 3.95Å; Y93-F112 HydrophobicContact CD1-CG 3.95Å; Y93-F112 HydrophobicContact CD1-CZ 4.3Å; Y93-F112 HydrophobicContact CE1-CD1 4.25Å; Y93-F112 HydrophobicContact CE1-CD2 4.1Å; Y93-F112 HydrophobicContact CE1-CE2 4.39Å; Y93-F112 HydrophobicContact CE1-CG 4.03Å
94R94.9Very high94Very high58 Ų5853.7 Ų53.722%0.21933%0.332CS..  trans-132.7143.5176.5-58.6-63.5-179.9-90.1-7.6108.8G81 G82 T91 Q92G81-R94 VanDerWaalsContact CA-O 3.27Å; G81-R94 WeakPolarHBondContact CA-O 3.5Å; G82-R94 PolarHBondContact N-O 2.94Å; T91-R94 PolarHBondContact O-NH1 3.42Å; Q92-R94 PolarHBondContact O-N 3.25Å; Q92-R94 PolarHBondContact O-NH1 3.18Å
95E97.9Very high93.9Very high0 Ų052.2 Ų52.20%032%0.322CS..EExtended strand (participates in β ladder)trans-154.6117.2171.7178177.4-170.700107R44 G69 L78 A80 Y93 R97 F110 F112R44-E95 WeakPolarHBondContact CD-OE1 3.35Å; R44-E95 VanDerWaalsContact CD-OE2 3.24Å; R44-E95 WeakPolarHBondContact CD-OE2 3.47Å; R44-E95 IonicContact CZ-OE2 3.45Å; R44-E95 IonicContact NE-OE2 3.74Å; R44-E95 IonicContact NH1-OE2 2.68Å; R44-E95 PolarHBondContact NH1-OE2 3.38Å; G69-E95 WeakPolarHBondContact CA-OE1 3.2Å; G69-E95 PolarHBondContact N-OE1 2.73Å; L78-E95 HydrophobicContact CD1-CG 3.94Å; A80-E95 WeakPolarHBondContact O-CA 3.49Å; Y93-E95 HydrophobicContact CE1-CB 3.82Å; Y93-E95 PolarHBondContact OH-OE2 2.65Å; E95-R97 HydrophobicContact CG-CG 4.04Å; E95-R97 WeakPolarHBondContact OE1-CD 3.39Å; E95-R97 IonicContact OE1-NH1 2.6Å; E95-R97 PolarHBondContact OE1-NH1 2.98Å; E95-F110 HydrophobicContact CG-CE1 4.41Å; E95-F112 HydrophobicContact CB-CB 3.87Å; E95-F112 PolarHBondContact O-N 3.4Å
96V98.6Very high94.2Very high9 Ų950.7 Ų50.76%0.05530%0.302CS..EExtended strand (participates in β ladder)trans-116.5123.2173.8-174.50000107.8V79 A80 R109 F110 Y111 Y120V79-V96 HydrophobicContact CB-CB 4.13Å; V79-V96 HydrophobicContact CB-CG1 3.95Å; V79-V96 HydrophobicContact CG1-CG1 4.3Å; V79-V96 HydrophobicContact CG2-CG1 4.5Å; V79-V96 PolarHBondContact N-O 2.91Å; A80-V96 HydrophobicContact CB-CB 4.09Å; A80-V96 HydrophobicContact CB-CG2 4.06Å; A80-V96 PolarHBondContact N-O 2.86Å; A80-V96 PolarHBondContact O-N 3.38Å; V96-R109 HydrophobicContact CG1-CG 4.31Å; V96-F110 CarbonylContact C-O 3.56Å; V96-F110 VanDerWaalsContact CA-O 3.25Å; V96-F110 WeakPolarHBondContact CA-O 3.41Å; V96-Y111 HydrophobicContact CB-CD1 4.35Å; V96-Y111 HydrophobicContact CG1-CD1 3.8Å; V96-Y111 HydrophobicContact CG1-CE1 3.72Å; V96-Y111 HydrophobicContact CG1-CG 4.48Å; V96-Y111 HydrophobicContact CG2-CD1 3.67Å; V96-Y111 HydrophobicContact CG2-CE1 4.12Å; V96-Y120 VanDerWaalsContact CG2-OH 3.27Å; V96-Y120 WeakPolarHBondContact CG2-OH 3.38Å
97R98.8Very high94.6Very high0 Ų044.9 Ų44.90%028%0.276CS..EExtended strand (participates in β ladder)trans-120.9147.8178.7-53.4-171.775.178.710.4110.3Y47 E70 D76 Q77 L78 E95 R109 F110Y47-R97 HydrophobicContact CD1-CB 4.48Å; Y47-R97 HydrophobicContact CE1-CB 3.67Å; Y47-R97 HydrophobicContact CE1-CG 4.33Å; Y47-R97 HydrophobicContact CE2-CB 4.4Å; Y47-R97 WeakPolarHBondContact OH-CB 3.42Å; E70-R97 PolarHBondContact O-NH1 3.12Å; E70-R97 PolarHBondContact O-NH2 3.41Å; D76-R97 IonicContact OD1-CZ 2.61Å; D76-R97 IonicContact OD1-NE 3.75Å; D76-R97 IonicContact OD1-NH2 3.57Å; D76-R97 PolarHBondContact OD1-NH2 2.79Å; D76-R97 IonicContact OD2-CZ 3.58Å; D76-R97 IonicContact OD2-NE 3.72Å; D76-R97 PolarHBondContact OD2-NE 2.84Å; D76-R97 IonicContact OD2-NH2 2.71Å; D76-R97 PolarHBondContact OD2-NH2 3.17Å; Q77-R97 WeakPolarHBondContact O-CA 3.12Å; L78-R97 HydrophobicContact CD1-CG 4.31Å; E95-R97 HydrophobicContact CG-CG 4.04Å; E95-R97 WeakPolarHBondContact OE1-CD 3.39Å; E95-R97 IonicContact OE1-NH1 2.6Å; E95-R97 PolarHBondContact OE1-NH1 2.98Å; R97-R109 CarbonylContact O-C 3.55Å; R97-R109 VanDerWaalsContact O-CA 3.31Å; R97-R109 WeakPolarHBondContact O-CA 3.48Å; R97-R109 WeakPolarHBondContact O-CG 3.43Å; R97-F110 HydrophobicContact CB-CB 4.34Å; R97-F110 HydrophobicContact CB-CD1 4.49Å; R97-F110 HydrophobicContact CG-CD1 4.18Å; R97-F110 PolarHBondContact N-O 2.9Å; R97-F110 PolarHBondContact O-N 2.82Å
98Q98.7Very high94.9Very high37 Ų3741 Ų4117%0.17326%0.256CS..EExtended strand (participates in β ladder)trans-138.8130.1176.3-176.9174.2-79.700111Y47 D76 Q77 V79 L107 V108 R109Y47-Q98 VanDerWaalsContact OH-C 3.29Å; Y47-Q98 PolarHBondContact OH-N 3.31Å; D76-Q98 WeakPolarHBondContact CA-O 3.48Å; D76-Q98 WeakPolarHBondContact CB-O 3.27Å; Q77-Q98 HydrophobicContact CG-CB 4.34Å; Q77-Q98 WeakPolarHBondContact CG-O 3.37Å; Q77-Q98 PolarHBondContact N-O 3.32Å; Q77-Q98 PolarHBondContact O-N 3.06Å; V79-Q98 HydrophobicContact CG2-CB 3.64Å; Q98-L107 HydrophobicContact CG-CD1 3.67Å; Q98-V108 CarbonylContact C-O 3.57Å; Q98-V108 WeakPolarHBondContact CA-O 3.31Å; Q98-R109 VanDerWaalsContact OE1-CZ 3.25Å
99F98.7Very high95.3Very high2 Ų239.8 Ų39.81%0.00925%0.249CC..EExtended strand (participates in β ladder)trans-110.3130.6167.5173.1-102.7000109.1Y47 V51 L54 Q55 Q75 D76 L107 V108Y47-F99 PolarHBondContact OH-N 3Å; V51-F99 HydrophobicContact CB-CG 4.42Å; V51-F99 HydrophobicContact CG1-CB 4.2Å; V51-F99 HydrophobicContact CG1-CD2 3.71Å; V51-F99 HydrophobicContact CG1-CE2 4.19Å; V51-F99 HydrophobicContact CG1-CG 3.89Å; V51-F99 HydrophobicContact CG2-CB 3.54Å; V51-F99 HydrophobicContact CG2-CD1 4.27Å; V51-F99 HydrophobicContact CG2-CG 3.88Å; L54-F99 HydrophobicContact CB-CE1 4.16Å; L54-F99 HydrophobicContact CD1-CD1 4.24Å; L54-F99 HydrophobicContact CD1-CE1 4.07Å; Q55-F99 HydrophobicContact CG-CE2 4.25Å; Q55-F99 HydrophobicContact CG-CZ 3.91Å; Q75-F99 HydrophobicContact CB-CE2 4.44Å; D76-F99 HydrophobicContact CB-CB 3.9Å; D76-F99 HydrophobicContact CB-CD2 4.3Å; F99-L107 WeakPolarHBondContact O-CA 3.45Å; F99-V108 HydrophobicContact CB-CB 4.45Å; F99-V108 HydrophobicContact CD1-CG2 4.37Å; F99-V108 PolarHBondContact N-O 2.81Å; F99-V108 PolarHBondContact O-N 3.07Å
100C97.9Very high95.9Very high66 Ų6635.7 Ų35.745%0.44623%0.227SC..EExtended strand (participates in β ladder)trans-125.6121.7167.4-173.50000107.5H106 L107C100-H106 WeakPolarHBondContact CA-O 3.41Å; C100-L107 HydrophobicContact CB-CD1 4.38Å
101S95.8Very high96.4Very high15 Ų1534.5 Ų34.511%0.10522%0.215CC..  trans-60.6149.5177.670.40000110.5S103 G104 H105 H106S101-S103 PolarHBondContact O-N 3.15Å; S101-S103 PolarHBondContact OG-OG 2.8Å; S101-G104 PolarHBondContact O-N 3.36Å; S101-G104 PolarHBondContact OG-N 3.12Å; S101-H105 PolarHBondContact OG-N 3.21Å; S101-H106 PolarHBondContact N-O 3.17Å; S101-H106 PolarHBondContact OG-N 2.86Å; S101-H106 PolarHBondContact OG-ND1 2.81Å; S101-H106 VanDerWaalsContact OG-ND1 3.14Å
102G92.9Very high96.7Very high89 Ų8932.7 Ų32.792%0.91820%0.203SC*.THydrogen-bonded Turntrans-57.8-22.2178.300000114.7
103S90.2Very high96.9Very high71 Ų7126.7 Ų26.750%0.49718%0.175SC..THydrogen-bonded Turntrans-77.8-15.4173.468.30000114.6S101 H105S101-S103 PolarHBondContact O-N 3.15Å; S101-S103 PolarHBondContact OG-OG 2.8Å; S103-H105 VanDerWaalsContact C-N 3.27Å; S103-H105 PolarHBondContact O-N 3.07Å; S103-H105 PolarHBondContact OG-CD2 3.1Å; S103-H105 PolarHBondContact OG-N 3.4Å
104G92.8Very high97Very high49 Ų4926.6 Ų26.651%0.50518%0.175SC..SBendtrans78.2-0.3-173.700000115.4S101S101-G104 PolarHBondContact O-N 3.36Å; S101-G104 PolarHBondContact OG-N 3.12Å
105H95.3Very high97.1Very high73 Ų7327.1 Ų27.134%0.33818%0.177SC..  trans-86.9-9.9-174.7-62.5-52.4000115.3H31 N32 S101 S103H31-H105 AromaticContact NE2-CD2 3.69Å; H31-H105 AromaticContact NE2-CG 3.51Å; H31-H105 AromaticContact NE2-ND1 3.81Å; N32-H105 WeakPolarHBondContact CA-O 3.42Å; N32-H105 PolarHBondContact N-O 3.44Å; N32-H105 PolarHBondContact OD1-ND1 3.42Å; S101-H105 PolarHBondContact OG-N 3.21Å; S103-H105 VanDerWaalsContact C-N 3.27Å; S103-H105 PolarHBondContact O-N 3.07Å; S103-H105 PolarHBondContact OG-CD2 3.1Å; S103-H105 PolarHBondContact OG-N 3.4Å
106H98Very high97.1Very high14 Ų1427.1 Ų27.17%0.06518%0.177CC..EExtended strand (participates in β ladder)trans-132118.1-177.5-44.384.2000108.9Q27 L30 L54 C100 S101Q27-H106 WeakPolarHBondContact CA-NE2 3.34Å; Q27-H106 PolarHBondContact O-NE2 2.98Å; L30-H106 PolarHBondContact O-CD2 3.48Å; L54-H106 HydrophobicContact CD1-CB 4.37Å; L54-H106 HydrophobicContact CD2-CB 4.37Å; C100-H106 WeakPolarHBondContact CA-O 3.41Å; S101-H106 PolarHBondContact N-O 3.17Å; S101-H106 PolarHBondContact OG-N 2.86Å; S101-H106 PolarHBondContact OG-ND1 2.81Å; S101-H106 VanDerWaalsContact OG-ND1 3.14Å
107L98.6Very high97.1Very high33 Ų3328.9 Ų28.917%0.17318%0.183CC..EExtended strand (participates in β ladder)trans-117.6121.8174.7179.861.4000108.5K33 F34 V35 Q98 F99 C100K33-L107 PolarHBondContact O-N 2.95Å; K33-L107 VanDerWaalsContact O-N 3.16Å; F34-L107 WeakPolarHBondContact CA-O 3.47Å; F34-L107 HydrophobicContact CB-CB 4.46Å; F34-L107 HydrophobicContact CB-CD2 4.3Å; F34-L107 HydrophobicContact CD1-CD2 4.33Å; F34-L107 HydrophobicContact CD2-CB 3.98Å; F34-L107 HydrophobicContact CD2-CD2 3.5Å; F34-L107 VanDerWaalsContact CD2-CD2 3.5Å; F34-L107 HydrophobicContact CD2-CG 3.44Å; F34-L107 VanDerWaalsContact CD2-CG 3.44Å; F34-L107 HydrophobicContact CE2-CD2 3.84Å; F34-L107 HydrophobicContact CE2-CG 3.81Å; F34-L107 HydrophobicContact CG-CD2 3.79Å; F34-L107 HydrophobicContact CG-CG 4.17Å; F34-L107 HydrophobicContact CZ-CD2 4.39Å; V35-L107 PolarHBondContact N-O 2.74Å; Q98-L107 HydrophobicContact CG-CD1 3.67Å; F99-L107 WeakPolarHBondContact O-CA 3.45Å; C100-L107 HydrophobicContact CB-CD1 4.38Å
108V98.8Very high97Very high2 Ų230.2 Ų30.21%0.01219%0.192CC..EExtended strand (participates in β ladder)trans-125.2128.3174.4-169.10000108.2V35 I37 Y47 L50 L54 Q98 F99V35-V108 HydrophobicContact CB-CG1 4.24Å; V35-V108 HydrophobicContact CB-CG2 4.35Å; V35-V108 HydrophobicContact CG1-CG1 4.38Å; V35-V108 CarbonylContact O-C 3.6Å; V35-V108 VanDerWaalsContact O-CA 3.28Å; V35-V108 WeakPolarHBondContact O-CA 3.24Å; I37-V108 HydrophobicContact CD1-CG1 4.13Å; Y47-V108 HydrophobicContact CD2-CB 4.46Å; Y47-V108 HydrophobicContact CD2-CG1 3.59Å; Y47-V108 HydrophobicContact CE2-CB 4.15Å; Y47-V108 HydrophobicContact CE2-CG1 3.76Å; L50-V108 HydrophobicContact CD2-CG1 4.2Å; L50-V108 HydrophobicContact CD2-CG2 4.4Å; L54-V108 HydrophobicContact CD1-CG2 3.57Å; Q98-V108 CarbonylContact C-O 3.57Å; Q98-V108 WeakPolarHBondContact CA-O 3.31Å; F99-V108 HydrophobicContact CB-CB 4.45Å; F99-V108 HydrophobicContact CD1-CG2 4.37Å; F99-V108 PolarHBondContact N-O 2.81Å; F99-V108 PolarHBondContact O-N 3.07Å
109R98.9Very high97Very high30 Ų3036.5 Ų36.511%0.11322%0.222CC..EExtended strand (participates in β ladder)trans-125137.9175.9-165.6178.1-66.4148.73.5110.7F34 V35 V36 I37 V96 R97 Q98 Y111F34-R109 HydrophobicContact CE2-CB 3.69Å; F34-R109 HydrophobicContact CZ-CB 4.13Å; V35-R109 PolarHBondContact O-N 2.84Å; V36-R109 CarbonylContact C-O 3.56Å; V36-R109 WeakPolarHBondContact CA-O 3.33Å; I37-R109 PolarHBondContact N-O 2.96Å; V96-R109 HydrophobicContact CG1-CG 4.31Å; R97-R109 CarbonylContact O-C 3.55Å; R97-R109 VanDerWaalsContact O-CA 3.31Å; R97-R109 WeakPolarHBondContact O-CA 3.48Å; R97-R109 WeakPolarHBondContact O-CG 3.43Å; Q98-R109 VanDerWaalsContact OE1-CZ 3.25Å; R109-Y111 HydrophobicContact CB-CE2 4.32Å; R109-Y111 WeakPolarHBondContact CD-OH 3.3Å; R109-Y111 HydrophobicContact CG-CD2 4.27Å; R109-Y111 HydrophobicContact CG-CE2 3.67Å; R109-Y111 PolarHBondContact NH1-OH 2.96Å
110F98.9Very high97Very high0 Ų037.8 Ų37.80%023%0.227CC..EExtended strand (participates in β ladder)trans-117.7137.6176.1167.3-104000110.5I37 Q43 R44 Y47 E95 V96 R97 F112I37-F110 HydrophobicContact CB-CD2 4.18Å; I37-F110 HydrophobicContact CG2-CD2 3.98Å; I37-F110 CarbonylContact O-C 3.35Å; I37-F110 VanDerWaalsContact O-CA 3.27Å; I37-F110 WeakPolarHBondContact O-CA 3.35Å; I37-F110 WeakPolarHBondContact O-CD2 3.44Å; Q43-F110 HydrophobicContact CB-CE2 4.18Å; R44-F110 HydrophobicContact CB-CE1 3.79Å; R44-F110 HydrophobicContact CB-CE2 4.08Å; R44-F110 HydrophobicContact CB-CZ 3.56Å; R44-F110 HydrophobicContact CG-CD1 4.38Å; R44-F110 HydrophobicContact CG-CE1 3.93Å; R44-F110 HydrophobicContact CG-CZ 4.23Å; Y47-F110 HydrophobicContact CD1-CB 4.04Å; Y47-F110 HydrophobicContact CD2-CB 3.41Å; Y47-F110 VanDerWaalsContact CD2-CB 3.41Å; Y47-F110 HydrophobicContact CD2-CG 4.5Å; Y47-F110 HydrophobicContact CE1-CB 4.49Å; Y47-F110 HydrophobicContact CE2-CB 3.9Å; Y47-F110 HydrophobicContact CG-CB 3.48Å; Y47-F110 VanDerWaalsContact CG-CB 3.48Å; Y47-F110 HydrophobicContact CG-CG 4.14Å; E95-F110 HydrophobicContact CG-CE1 4.41Å; V96-F110 CarbonylContact C-O 3.56Å; V96-F110 VanDerWaalsContact CA-O 3.25Å; V96-F110 WeakPolarHBondContact CA-O 3.41Å; R97-F110 HydrophobicContact CB-CB 4.34Å; R97-F110 HydrophobicContact CB-CD1 4.49Å; R97-F110 HydrophobicContact CG-CD1 4.18Å; R97-F110 PolarHBondContact N-O 2.9Å; R97-F110 PolarHBondContact O-N 2.82Å; F110-F112 HydrophobicContact CE1-CB 3.83Å; F110-F112 HydrophobicContact CE1-CD2 4.15Å; F110-F112 HydrophobicContact CZ-CB 3.82Å; F110-F112 AromaticContact CZ-CD2 3.8Å; F110-F112 HydrophobicContact CZ-CD2 3.8Å; F110-F112 HydrophobicContact CZ-CG 4.22Å
111Y98.8Very high97Very high1 Ų134.7 Ų34.70%0.00421%0.206CC..EExtended strand (participates in β ladder)trans-125122.7171.2-58.5-97.9000109.7V36 I37 L38 G39 V96 R109 L113 V124 E127V36-Y111 HydrophobicContact CG1-CD2 4.01Å; V36-Y111 HydrophobicContact CG1-CE2 3.99Å; I37-Y111 PolarHBondContact O-N 3.11Å; L38-Y111 HydrophobicContact CD2-CD2 3.76Å; L38-Y111 HydrophobicContact CD2-CG 4Å; G39-Y111 PolarHBondContact N-O 2.81Å; G39-Y111 VanDerWaalsContact N-O 3.13Å; V96-Y111 HydrophobicContact CB-CD1 4.35Å; V96-Y111 HydrophobicContact CG1-CD1 3.8Å; V96-Y111 HydrophobicContact CG1-CE1 3.72Å; V96-Y111 HydrophobicContact CG1-CG 4.48Å; V96-Y111 HydrophobicContact CG2-CD1 3.67Å; V96-Y111 HydrophobicContact CG2-CE1 4.12Å; R109-Y111 HydrophobicContact CB-CE2 4.32Å; R109-Y111 WeakPolarHBondContact CD-OH 3.3Å; R109-Y111 HydrophobicContact CG-CD2 4.27Å; R109-Y111 HydrophobicContact CG-CE2 3.67Å; R109-Y111 PolarHBondContact NH1-OH 2.96Å; Y111-L113 PolarHBondContact O-N 2.96Å; Y111-V124 HydrophobicContact CD1-CB 4.34Å; Y111-V124 HydrophobicContact CD1-CG1 3.9Å; Y111-V124 HydrophobicContact CD1-CG2 3.43Å; Y111-V124 VanDerWaalsContact CD1-CG2 3.43Å; Y111-V124 HydrophobicContact CD2-CG1 3.99Å; Y111-V124 HydrophobicContact CE1-CB 4.33Å; Y111-V124 HydrophobicContact CE1-CG1 3.86Å; Y111-V124 HydrophobicContact CE1-CG2 3.69Å; Y111-V124 HydrophobicContact CE2-CG1 3.92Å; Y111-V124 HydrophobicContact CG-CG1 3.96Å; Y111-V124 HydrophobicContact CG-CG2 4.09Å; Y111-E127 WeakPolarHBondContact CE1-OE2 3.38Å; Y111-E127 PolarHBondContact OH-OE2 2.83Å
112F98.3Very high97.1Very high5 Ų536 Ų362%0.02221%0.21CC..EExtended strand (participates in β ladder)trans-76117.3176.8-166.1-75.9000110.9G39 D40 S41 R44 Y93 E95 F110 T114 Y120 W144G39-F112 CarbonylContact O-C 3.56Å; G39-F112 VanDerWaalsContact O-CA 3.25Å; G39-F112 WeakPolarHBondContact O-CA 3.24Å; D40-F112 VanDerWaalsContact C-CE2 3.47Å; D40-F112 HydrophobicContact CB-CZ 4.26Å; S41-F112 VanDerWaalsContact N-CE2 3.34Å; R44-F112 VanDerWaalsContact NH1-CE2 3.35Å; Y93-F112 AromaticContact CD1-CD1 3.7Å; Y93-F112 HydrophobicContact CD1-CD1 3.7Å; Y93-F112 HydrophobicContact CD1-CD2 4.34Å; Y93-F112 AromaticContact CD1-CE1 3.89Å; Y93-F112 HydrophobicContact CD1-CE1 3.89Å; Y93-F112 AromaticContact CD1-CG 3.95Å; Y93-F112 HydrophobicContact CD1-CG 3.95Å; Y93-F112 HydrophobicContact CD1-CZ 4.3Å; Y93-F112 HydrophobicContact CE1-CD1 4.25Å; Y93-F112 HydrophobicContact CE1-CD2 4.1Å; Y93-F112 HydrophobicContact CE1-CE2 4.39Å; Y93-F112 HydrophobicContact CE1-CG 4.03Å; E95-F112 HydrophobicContact CB-CB 3.87Å; E95-F112 PolarHBondContact O-N 3.4Å; F110-F112 HydrophobicContact CE1-CB 3.83Å; F110-F112 HydrophobicContact CE1-CD2 4.15Å; F110-F112 HydrophobicContact CZ-CB 3.82Å; F110-F112 AromaticContact CZ-CD2 3.8Å; F110-F112 HydrophobicContact CZ-CD2 3.8Å; F110-F112 HydrophobicContact CZ-CG 4.22Å; F112-T114 HydrophobicContact CD1-CG2 4.14Å; F112-T114 HydrophobicContact CE1-CG2 3.9Å; F112-Y120 WeakPolarHBondContact O-CE1 3.43Å; F112-W144 HydrophobicContact CE1-CZ2 4.02Å; F112-W144 AromaticContact CZ-CZ2 3.96Å; F112-W144 HydrophobicContact CZ-CZ2 3.96Å; F112-W144 AromaticContact CZ-NE1 3.96Å
113L97.8Very high97.4Very high1 Ų136 Ų361%0.00519%0.189CC..  trans-99.1131.7175.5-58.2-170.8000111L38 G39 Y111 Y120 L121 I139L38-L113 HydrophobicContact CB-CD1 3.87Å; L38-L113 HydrophobicContact CB-CG 4.32Å; G39-L113 PolarHBondContact O-N 2.68Å; Y111-L113 PolarHBondContact O-N 2.96Å; L113-Y120 HydrophobicContact CD2-CD1 4.25Å; L113-Y120 HydrophobicContact CD2-CE1 4.03Å; L113-L121 HydrophobicContact CD1-CD1 4.49Å; L113-L121 HydrophobicContact CD2-CD1 4.3Å; L113-I139 HydrophobicContact CD1-CD1 4.37Å
114T95.6Very high97.7Very high4 Ų432.6 Ų32.63%0.02517%0.166CC..SBendtrans-99-11.6166.155.20000111.9T91 F112 W144 Y149T91-T114 WeakPolarHBondContact O-CB 3.29Å; T91-T114 WeakPolarHBondContact O-CG2 3.44Å; T91-T114 PolarHBondContact O-OG1 2.8Å; F112-T114 HydrophobicContact CD1-CG2 4.14Å; F112-T114 HydrophobicContact CE1-CG2 3.9Å; T114-W144 HydrophobicContact CG2-CD2 4.35Å; T114-W144 HydrophobicContact CG2-CE3 3.74Å; T114-W144 HydrophobicContact CG2-CH2 4.13Å; T114-W144 HydrophobicContact CG2-CZ3 3.63Å; T114-W144 VanDerWaalsContact O-CB 3.3Å; T114-W144 WeakPolarHBondContact O-CB 3.37Å; T114-Y149 WeakPolarHBondContact O-CE2 3.21Å; T114-Y149 PolarHBondContact O-OH 3Å
115R97.1Very high98Very high69 Ų6930.3 Ų30.326%0.2614%0.142SC..SBendtrans-151.7142.6179.2-155.2173-174-177.3-6.1109.5Y117 D145 Y149 N160R115-Y117 WeakPolarHBondContact CD-O 3.3Å; R115-Y117 WeakPolarHBondContact CG-O 3.37Å; R115-Y117 PolarHBondContact O-N 3.26Å; R115-D145 WeakPolarHBondContact CG-OD1 3.35Å; R115-Y149 HydrophobicContact CB-CE2 4.24Å; R115-Y149 HydrophobicContact CG-CE1 4.25Å; R115-Y149 HydrophobicContact CG-CE2 4.07Å; R115-N160 PolarHBondContact NE-ND2 3Å; R115-N160 PolarHBondContact NH2-ND2 2.82Å
116V98.3Very high98.1Very high0 Ų032 Ų320%015%0.15CC..SBendtrans-66.7-25.9-178.875.70000113L121 S141 D145 Y157 N160 L161 V164 W180V116-L121 WeakPolarHBondContact O-CD2 3.25Å; V116-S141 PolarHBondContact N-OG 3.08Å; V116-D145 PolarHBondContact N-OD1 3.45Å; V116-D145 PolarHBondContact N-OD2 2.68Å; V116-D145 VanDerWaalsContact N-OD2 3.08Å; V116-Y157 HydrophobicContact CB-CD2 4.46Å; V116-Y157 HydrophobicContact CB-CE2 4.16Å; V116-Y157 HydrophobicContact CG1-CD2 3.85Å; V116-Y157 HydrophobicContact CG1-CE2 3.95Å; V116-N160 HydrophobicContact CG1-CB 3.49Å; V116-N160 VanDerWaalsContact CG1-CB 3.49Å; V116-L161 HydrophobicContact CG1-CD2 4.44Å; V116-L161 HydrophobicContact CG1-CG 4.37Å; V116-L161 HydrophobicContact CG2-CD2 3.92Å; V116-V164 HydrophobicContact CG2-CG1 3.69Å; V116-W180 HydrophobicContact CG2-CH2 3.77Å; V116-W180 HydrophobicContact CG2-CZ3 4.16Å
117Y98.4Very high98.1Very high45 Ų4536.1 Ų36.118%0.17617%0.169CC..SBendtrans-141.6128.5173.5-171.1-104.5000110R115 L121 E122 R163 V164 R167R115-Y117 WeakPolarHBondContact CD-O 3.3Å; R115-Y117 WeakPolarHBondContact CG-O 3.37Å; R115-Y117 PolarHBondContact O-N 3.26Å; Y117-L121 HydrophobicContact CD2-CD2 4.43Å; Y117-E122 HydrophobicContact CE2-CG 4.2Å; Y117-E122 WeakPolarHBondContact CE2-OE1 3.5Å; Y117-E122 PolarHBondContact OH-OE1 3.44Å; Y117-R163 HydrophobicContact CD1-CB 4.03Å; Y117-R163 HydrophobicContact CD2-CB 4.08Å; Y117-R163 HydrophobicContact CE1-CB 4.06Å; Y117-R163 HydrophobicContact CE1-CG 4.47Å; Y117-R163 HydrophobicContact CE2-CB 4.12Å; Y117-R163 HydrophobicContact CG-CB 4.04Å; Y117-V164 HydrophobicContact CD2-CB 4.08Å; Y117-R167 HydrophobicContact CE2-CG 4.13Å
118S97.9Very high97.9Very high28 Ų2834.9 Ų34.920%0.19616%0.163CC..SBendtrans-164.1167.4-178.162.70000110.2Y120 L121 E122S118-Y120 PolarHBondContact O-N 2.88Å; S118-L121 PolarHBondContact O-N 2.84Å; S118-L121 PolarHBondContact OG-N 3.1Å; S118-E122 PolarHBondContact O-N 3.16Å; S118-E122 VanDerWaalsContact O-N 3.13Å
119E97.9Very high97.8Very high170 Ų17038.1 Ų38.179%0.79418%0.182SC*.Hα-helixtrans-53.6-41.2172-66.6175.8170.300111.5L121 E122 D123E119-L121 VanDerWaalsContact C-N 3.28Å; E119-L121 PolarHBondContact O-N 3.29Å; E119-E122 WeakPolarHBondContact O-CB 3.29Å; E119-E122 PolarHBondContact O-N 3.29Å; E119-D123 PolarHBondContact O-N 2.88Å
120Y98Very high97.6Very high29 Ų2945.5 Ų45.511%0.11421%0.211CC..Hα-helixtrans-60-36.3175.4173.1-118.6000113.2V96 F112 L113 S118 D123 V124V96-Y120 VanDerWaalsContact CG2-OH 3.27Å; V96-Y120 WeakPolarHBondContact CG2-OH 3.38Å; F112-Y120 WeakPolarHBondContact O-CE1 3.43Å; L113-Y120 HydrophobicContact CD2-CD1 4.25Å; L113-Y120 HydrophobicContact CD2-CE1 4.03Å; S118-Y120 PolarHBondContact O-N 2.88Å; Y120-D123 PolarHBondContact O-N 3.3Å; Y120-V124 HydrophobicContact CD2-CG2 4.42Å; Y120-V124 HydrophobicContact CE1-CG2 4.31Å; Y120-V124 HydrophobicContact CE2-CG2 3.92Å; Y120-V124 WeakPolarHBondContact O-CG2 3.42Å; Y120-V124 PolarHBondContact O-N 2.9Å; Y120-V124 VanDerWaalsContact O-N 3.12Å
121L98.3Very high97.4Very high0 Ų047.2 Ų47.20%023%0.229CC..Hα-helixtrans-70.5-36.9176-178.762.7000111.1L113 V116 Y117 S118 E119 D123 V124 L125 V164L113-L121 HydrophobicContact CD1-CD1 4.49Å; L113-L121 HydrophobicContact CD2-CD1 4.3Å; V116-L121 WeakPolarHBondContact O-CD2 3.25Å; Y117-L121 HydrophobicContact CD2-CD2 4.43Å; S118-L121 PolarHBondContact O-N 2.84Å; S118-L121 PolarHBondContact OG-N 3.1Å; E119-L121 VanDerWaalsContact C-N 3.28Å; E119-L121 PolarHBondContact O-N 3.29Å; L121-D123 VanDerWaalsContact C-N 3.3Å; L121-D123 PolarHBondContact O-N 3.28Å; L121-V124 HydrophobicContact CD1-CB 4.35Å; L121-V124 CarbonylContact O-C 3.57Å; L121-V124 WeakPolarHBondContact O-CB 3.5Å; L121-V124 PolarHBondContact O-N 2.85Å; L121-V124 VanDerWaalsContact O-N 3.15Å; L121-L125 HydrophobicContact CD1-CG 4.38Å; L121-L125 HydrophobicContact CG-CD1 4.34Å; L121-L125 HydrophobicContact CG-CG 4.25Å; L121-L125 VanDerWaalsContact O-CG 3.31Å; L121-L125 WeakPolarHBondContact O-CG 3.39Å; L121-L125 PolarHBondContact O-N 3.25Å; L121-V164 HydrophobicContact CD2-CB 4.34Å; L121-V164 HydrophobicContact CD2-CG2 3.5Å; L121-V164 VanDerWaalsContact CD2-CG2 3.5Å
122E98.5Very high97.1Very high42 Ų4250.6 Ų50.620%0.19625%0.251CS..Hα-helixtrans-61.6-40174-71.5-69.817200111.5Y117 S118 E119 V124 L125 E126 R167Y117-E122 HydrophobicContact CE2-CG 4.2Å; Y117-E122 WeakPolarHBondContact CE2-OE1 3.5Å; Y117-E122 PolarHBondContact OH-OE1 3.44Å; S118-E122 PolarHBondContact O-N 3.16Å; S118-E122 VanDerWaalsContact O-N 3.13Å; E119-E122 WeakPolarHBondContact O-CB 3.29Å; E119-E122 PolarHBondContact O-N 3.29Å; E122-V124 VanDerWaalsContact C-N 3.3Å; E122-V124 PolarHBondContact O-N 3.37Å; E122-L125 PolarHBondContact O-N 2.91Å; E122-E126 WeakPolarHBondContact O-CB 3.47Å; E122-E126 PolarHBondContact O-N 3.4Å; E122-R167 IonicContact OE1-NE 3.44Å; E122-R167 PolarHBondContact OE1-NE 3.19Å; E122-R167 IonicContact OE2-CZ 3.65Å; E122-R167 IonicContact OE2-NE 3.76Å; E122-R167 PolarHBondContact OE2-NE 3.4Å; E122-R167 VanDerWaalsContact OE2-NE 3.11Å; E122-R167 IonicContact OE2-NH2 2.81Å; E122-R167 PolarHBondContact OE2-NH2 2.89Å
123D98.1Very high97Very high89 Ų8953.2 Ų53.248%0.47627%0.274SS..Hα-helixtrans-58.8-43.2172.7-59.4-28.6000111.2E119 Y120 L121 E126 E127E119-D123 PolarHBondContact O-N 2.88Å; Y120-D123 PolarHBondContact O-N 3.3Å; L121-D123 VanDerWaalsContact C-N 3.3Å; L121-D123 PolarHBondContact O-N 3.28Å; D123-E126 PolarHBondContact O-N 3.41Å; D123-E127 PolarHBondContact O-N 2.88Å
124V98.2Very high97Very high1 Ų153.3 Ų53.31%0.00628%0.275CS..Hα-helixtrans-64.7-42.4176.3172.70000111.5L38 Y111 Y120 L121 E122 E126 E127 L128L38-V124 HydrophobicContact CD2-CG1 4.04Å; Y111-V124 HydrophobicContact CD1-CB 4.34Å; Y111-V124 HydrophobicContact CD1-CG1 3.9Å; Y111-V124 HydrophobicContact CD1-CG2 3.43Å; Y111-V124 VanDerWaalsContact CD1-CG2 3.43Å; Y111-V124 HydrophobicContact CD2-CG1 3.99Å; Y111-V124 HydrophobicContact CE1-CB 4.33Å; Y111-V124 HydrophobicContact CE1-CG1 3.86Å; Y111-V124 HydrophobicContact CE1-CG2 3.69Å; Y111-V124 HydrophobicContact CE2-CG1 3.92Å; Y111-V124 HydrophobicContact CG-CG1 3.96Å; Y111-V124 HydrophobicContact CG-CG2 4.09Å; Y120-V124 HydrophobicContact CD2-CG2 4.42Å; Y120-V124 HydrophobicContact CE1-CG2 4.31Å; Y120-V124 HydrophobicContact CE2-CG2 3.92Å; Y120-V124 WeakPolarHBondContact O-CG2 3.42Å; Y120-V124 PolarHBondContact O-N 2.9Å; Y120-V124 VanDerWaalsContact O-N 3.12Å; L121-V124 HydrophobicContact CD1-CB 4.35Å; L121-V124 CarbonylContact O-C 3.57Å; L121-V124 WeakPolarHBondContact O-CB 3.5Å; L121-V124 PolarHBondContact O-N 2.85Å; L121-V124 VanDerWaalsContact O-N 3.15Å; E122-V124 VanDerWaalsContact C-N 3.3Å; E122-V124 PolarHBondContact O-N 3.37Å; V124-E126 VanDerWaalsContact C-N 3.3Å; V124-E126 PolarHBondContact O-N 3.46Å; V124-E127 WeakPolarHBondContact O-CB 3.36Å; V124-E127 PolarHBondContact O-N 3.36Å; V124-L128 HydrophobicContact CG1-CD1 4.5Å; V124-L128 WeakPolarHBondContact O-CG 3.34Å; V124-L128 PolarHBondContact O-N 3.23Å
125L98.2Very high97.2Very high0 Ų054.9 Ų54.90%028%0.283CS..Hα-helixtrans-65.3-35.7176.9-69.1-179.8000111.7L121 E122 L128 T129 R167 M168 V171L121-L125 HydrophobicContact CD1-CG 4.38Å; L121-L125 HydrophobicContact CG-CD1 4.34Å; L121-L125 HydrophobicContact CG-CG 4.25Å; L121-L125 VanDerWaalsContact O-CG 3.31Å; L121-L125 WeakPolarHBondContact O-CG 3.39Å; L121-L125 PolarHBondContact O-N 3.25Å; E122-L125 PolarHBondContact O-N 2.91Å; L125-L128 HydrophobicContact CD2-CD1 4.5Å; L125-L128 PolarHBondContact O-N 3Å; L125-T129 PolarHBondContact O-N 2.82Å; L125-T129 PolarHBondContact O-OG1 3.1Å; L125-R167 HydrophobicContact CD1-CB 3.78Å; L125-M168 HydrophobicContact CD2-CE 3.85Å; L125-M168 HydrophobicContact CD2-SD 3.73Å; L125-V171 HydrophobicContact CB-CG1 4.21Å; L125-V171 HydrophobicContact CB-CG2 4.27Å; L125-V171 HydrophobicContact CD2-CG1 4.16Å; L125-V171 WeakPolarHBondContact O-CG1 3.38Å
126E97.8Very high97.3Very high109 Ų10951.8 Ų51.851%0.50927%0.271SS..Hα-helixtrans-63.4-44.7172.9-170.5172.2-149.500111.3E122 D123 V124 L128 T129 Y130E122-E126 WeakPolarHBondContact O-CB 3.47Å; E122-E126 PolarHBondContact O-N 3.4Å; D123-E126 PolarHBondContact O-N 3.41Å; V124-E126 VanDerWaalsContact C-N 3.3Å; V124-E126 PolarHBondContact O-N 3.46Å; E126-L128 VanDerWaalsContact C-N 3.28Å; E126-L128 PolarHBondContact O-N 3.49Å; E126-T129 WeakPolarHBondContact O-CB 3.44Å; E126-T129 PolarHBondContact O-N 3.01Å; E126-T129 VanDerWaalsContact O-N 3.11Å; E126-Y130 HydrophobicContact CG-CD2 3.67Å; E126-Y130 HydrophobicContact CG-CE2 3.55Å; E126-Y130 VanDerWaalsContact O-CD2 3.29Å; E126-Y130 WeakPolarHBondContact O-CD2 3.35Å; E126-Y130 PolarHBondContact O-N 3.32Å; E126-Y130 VanDerWaalsContact O-N 3.11Å
127E96.7Very high97.3Very high101 Ų10151.8 Ų51.847%0.47227%0.271SS..Hα-helixtrans-57.6-39.9172.8-73.2-178.5-173.100112.4Y111 D123 V124 T129 G131Y111-E127 WeakPolarHBondContact CE1-OE2 3.38Å; Y111-E127 PolarHBondContact OH-OE2 2.83Å; D123-E127 PolarHBondContact O-N 2.88Å; V124-E127 WeakPolarHBondContact O-CB 3.36Å; V124-E127 PolarHBondContact O-N 3.36Å; E127-T129 VanDerWaalsContact C-N 3.34Å; E127-G131 VanDerWaalsContact O-CA 3.24Å; E127-G131 WeakPolarHBondContact O-CA 3.4Å; E127-G131 PolarHBondContact O-N 2.84Å
128L96.3Very high97.3Very high7 Ų749.7 Ų49.74%0.03726%0.263CS..Hα-helixtrans-71.9-28.9177.4-64.6179.5000112.6F34 V36 V124 L125 E126 P134 V171 L172F34-L128 HydrophobicContact CE1-CD2 4.09Å; F34-L128 HydrophobicContact CZ-CD2 4.32Å; V36-L128 HydrophobicContact CG1-CD1 4.5Å; V36-L128 HydrophobicContact CG2-CD2 3.89Å; V124-L128 HydrophobicContact CG1-CD1 4.5Å; V124-L128 WeakPolarHBondContact O-CG 3.34Å; V124-L128 PolarHBondContact O-N 3.23Å; L125-L128 HydrophobicContact CD2-CD1 4.5Å; L125-L128 PolarHBondContact O-N 3Å; E126-L128 VanDerWaalsContact C-N 3.28Å; E126-L128 PolarHBondContact O-N 3.49Å; L128-P134 HydrophobicContact CD2-CG 4.45Å; L128-V171 HydrophobicContact CB-CG1 4.35Å; L128-L172 HydrophobicContact CD1-CD2 4.42Å
129T95.6Very high97.4Very high69 Ų6948.4 Ų48.442%0.42325%0.254SS..Hα-helixtrans-69.1-42.8177.3-57.30000111.5L125 E126 E127 V171L125-T129 PolarHBondContact O-N 2.82Å; L125-T129 PolarHBondContact O-OG1 3.1Å; E126-T129 WeakPolarHBondContact O-CB 3.44Å; E126-T129 PolarHBondContact O-N 3.01Å; E126-T129 VanDerWaalsContact O-N 3.11Å; E127-T129 VanDerWaalsContact C-N 3.34Å; T129-V171 WeakPolarHBondContact OG1-CG1 3.39Å
130Y95.1Very high97.4Very high185 Ų18540.5 Ų40.573%0.72522%0.217SC*.Hα-helixtrans-102.6-12.9-174.4-60.6-64.5000114.2E126E126-Y130 HydrophobicContact CG-CD2 3.67Å; E126-Y130 HydrophobicContact CG-CE2 3.55Å; E126-Y130 VanDerWaalsContact O-CD2 3.29Å; E126-Y130 WeakPolarHBondContact O-CD2 3.35Å; E126-Y130 PolarHBondContact O-N 3.32Å; E126-Y130 VanDerWaalsContact O-N 3.11Å
131G93.9Very high97.2Very high36 Ų3639.3 Ų39.337%0.37121%0.213SC..SBendtrans-89.9-164.9178.100000113.5E127 A133E127-G131 VanDerWaalsContact O-CA 3.24Å; E127-G131 WeakPolarHBondContact O-CA 3.4Å; E127-G131 PolarHBondContact O-N 2.84Å; G131-A133 PolarHBondContact O-N 3.33Å
132P93.8Very high97.1Very high72 Ų7239.3 Ų39.347%0.46821%0.214SC..PPolyproline II helixtrans-58.9129.2169.8-20.332.6000110.2F34F34-P132 HydrophobicContact CD1-CB 4.04Å; F34-P132 VanDerWaalsContact CD1-O 3.3Å; F34-P132 WeakPolarHBondContact CD1-O 3.23Å; F34-P132 HydrophobicContact CE1-CB 4.34Å; F34-P132 WeakPolarHBondContact CE1-O 3.46Å
133A96Very high96.8Very high61 Ų6137.7 Ų37.750%0.50421%0.206SC..PPolyproline II helixtrans-65.7130.2177.300000110.5G131 P173G131-A133 PolarHBondContact O-N 3.33Å; A133-P173 HydrophobicContact CB-CG 4.27Å
134P98.3Very high96.6Very high3 Ų334.1 Ų34.12%0.01919%0.186CC..PPolyproline II helixtrans-73.3141.5176.630-34.1000111.4F34 V36 L128 V137 L172 C176F34-P134 HydrophobicContact CD1-CB 4.04Å; F34-P134 HydrophobicContact CE1-CB 4.29Å; V36-P134 HydrophobicContact CG2-CB 3.85Å; L128-P134 HydrophobicContact CD2-CG 4.45Å; P134-V137 HydrophobicContact CB-CG2 3.97Å; P134-V137 HydrophobicContact CG-CG2 3.91Å; P134-L172 HydrophobicContact CG-CD2 3.81Å; P134-C176 WeakPolarHBondContact O-CB 3.22Å; P134-C176 PolarHBondContact O-SG 3.41Å
135D98.8Very high96.4Very high36 Ų3634.2 Ų34.219%0.19319%0.187CC..SBendtrans-87.6-28.7169.3-63.9-99.8000111.9K33 F34 L177 W269K33-D135 WeakPolarHBondContact CA-OD2 3.42Å; K33-D135 HydrophobicContact CB-CB 4.27Å; K33-D135 HydrophobicContact CD-CB 3.55Å; K33-D135 VanDerWaalsContact CD-OD1 3.24Å; K33-D135 WeakPolarHBondContact CD-OD1 3.09Å; K33-D135 HydrophobicContact CG-CB 4.5Å; K33-D135 IonicContact NZ-OD1 3.41Å; K33-D135 PolarHBondContact NZ-OD1 3.11Å; F34-D135 PolarHBondContact N-OD2 2.86Å; F34-D135 PolarHBondContact O-N 3.4Å; D135-L177 PolarHBondContact O-N 3.02Å; D135-W269 HydrophobicContact CB-CZ2 4.45Å
136L98.9Very high96.2Very high4 Ų434.4 Ų34.42%0.02119%0.188CC..EExtended strand (participates in β ladder)trans-141.5123.8-177.517358.7000109.7F34 V35 V36 I138 L177 V179 V265 W269F34-L136 PolarHBondContact O-N 3.3Å; V35-L136 CarbonylContact C-O 3.57Å; V35-L136 WeakPolarHBondContact CA-O 3.06Å; V35-L136 HydrophobicContact CG1-CB 4.37Å; V35-L136 HydrophobicContact CG1-CD2 3.92Å; V35-L136 HydrophobicContact CG1-CG 4.1Å; V35-L136 HydrophobicContact CG2-CB 4.28Å; V35-L136 HydrophobicContact CG2-CD2 4.18Å; V36-L136 PolarHBondContact N-O 3.05Å; L136-I138 HydrophobicContact CD1-CG1 3.98Å; L136-I138 HydrophobicContact CD2-CD1 3.86Å; L136-I138 HydrophobicContact CD2-CG1 4.21Å; L136-I138 HydrophobicContact CG-CD1 4Å; L136-I138 HydrophobicContact CG-CG1 3.92Å; L136-L177 CarbonylContact C-O 3.45Å; L136-L177 WeakPolarHBondContact CA-O 3.32Å; L136-L177 HydrophobicContact CD1-CB 4.18Å; L136-L177 HydrophobicContact CD1-CD2 4.1Å; L136-L177 HydrophobicContact CD1-CG 4.07Å; L136-L177 WeakPolarHBondContact CD1-O 3.42Å; L136-V179 HydrophobicContact CD1-CG2 3.94Å; L136-V265 HydrophobicContact CD1-CG2 3.97Å; L136-V265 HydrophobicContact CD2-CG1 4.21Å; L136-V265 HydrophobicContact CD2-CG2 3.74Å; L136-W269 HydrophobicContact CB-CH2 4.3Å; L136-W269 HydrophobicContact CB-CZ2 4.08Å; L136-W269 HydrophobicContact CD2-CH2 4.49Å
137V98.9Very high95.7Very high0 Ų029.3 Ų29.30%016%0.164CC..EExtended strand (participates in β ladder)trans-112.6121.1169.5174.90000108.6V36 L38 P134 L172 L177 L178 V179V36-V137 HydrophobicContact CB-CG2 4.22Å; V36-V137 CarbonylContact O-C 3.56Å; V36-V137 WeakPolarHBondContact O-CA 3.19Å; L38-V137 HydrophobicContact CD1-CG1 3.89Å; P134-V137 HydrophobicContact CB-CG2 3.97Å; P134-V137 HydrophobicContact CG-CG2 3.91Å; V137-L172 HydrophobicContact CB-CD1 4.25Å; V137-L172 HydrophobicContact CG2-CD1 3.94Å; V137-L172 HydrophobicContact CG2-CD2 3.79Å; V137-L177 PolarHBondContact N-O 3.4Å; V137-L178 HydrophobicContact CB-CG 4.4Å; V137-L178 HydrophobicContact CG1-CD1 4.39Å; V137-L178 HydrophobicContact CG1-CG 4.34Å; V137-L178 CarbonylContact O-C 3.59Å; V137-L178 WeakPolarHBondContact O-CA 3.37Å; V137-V179 PolarHBondContact O-N 2.95Å
138I98.9Very high95.3Very high1 Ų125.4 Ų25.41%0.00515%0.145CC..EExtended strand (participates in β ladder)trans-110.3121.8175-58.9144.7000107.1V35 V36 I37 L38 L136 N181 L261V35-I138 HydrophobicContact CG1-CD1 3.7Å; V36-I138 PolarHBondContact O-N 2.9Å; I37-I138 CarbonylContact C-O 3.56Å; I37-I138 WeakPolarHBondContact CA-O 3.38Å; I37-I138 HydrophobicContact CD1-CD1 4.26Å; I37-I138 HydrophobicContact CG1-CB 4.28Å; I37-I138 HydrophobicContact CG1-CD1 3.81Å; L38-I138 PolarHBondContact N-O 2.82Å; L136-I138 HydrophobicContact CD1-CG1 3.98Å; L136-I138 HydrophobicContact CD2-CD1 3.86Å; L136-I138 HydrophobicContact CD2-CG1 4.21Å; L136-I138 HydrophobicContact CG-CD1 4Å; L136-I138 HydrophobicContact CG-CG1 3.92Å; I138-N181 VanDerWaalsContact CG2-ND2 3.3Å; I138-N181 WeakPolarHBondContact CG2-ND2 3.16Å; I138-L261 HydrophobicContact CD1-CD2 3.61Å; I138-L261 HydrophobicContact CD1-CG 4.45Å; I138-L261 HydrophobicContact CG1-CD1 4.21Å; I138-L261 HydrophobicContact CG1-CD2 3.99Å; I138-L261 HydrophobicContact CG2-CD1 4.4Å; I138-L261 HydrophobicContact CG2-CD2 4.1Å
139I98.6Very high94.9Very high2 Ų228 Ų281%0.0116%0.155CC..EExtended strand (participates in β ladder)trans-130.4136-177.3-177.5165.3000111.4L38 L113 M168 L178 V179 W180 N181L38-I139 HydrophobicContact CB-CB 4.06Å; L38-I139 HydrophobicContact CB-CD1 4.14Å; L38-I139 HydrophobicContact CB-CG1 3.89Å; L38-I139 HydrophobicContact CD1-CB 4.37Å; L38-I139 HydrophobicContact CD1-CD1 3.97Å; L38-I139 HydrophobicContact CD1-CG1 4.43Å; L38-I139 WeakPolarHBondContact O-CA 3.31Å; L113-I139 HydrophobicContact CD1-CD1 4.37Å; I139-M168 HydrophobicContact CD1-CE 3.98Å; I139-L178 HydrophobicContact CG2-CD2 3.93Å; I139-L178 HydrophobicContact CG2-CG 4.37Å; I139-V179 PolarHBondContact N-O 3.1Å; I139-W180 HydrophobicContact CB-CE3 4.31Å; I139-W180 HydrophobicContact CB-CZ3 4.36Å; I139-W180 HydrophobicContact CD1-CZ3 3.87Å; I139-W180 HydrophobicContact CG1-CE3 4.16Å; I139-W180 HydrophobicContact CG1-CZ3 3.71Å; I139-W180 HydrophobicContact CG2-CD2 4.37Å; I139-W180 HydrophobicContact CG2-CE3 3.4Å; I139-W180 HydrophobicContact CG2-CZ3 3.86Å; I139-N181 PolarHBondContact O-N 2.77Å
140N98Very high94.4Very high3 Ų326 Ų262%0.01615%0.147CC..EExtended strand (participates in β ladder)trans-138.6125.3161.5176.2-104.2000108.9L38 G39 Q43 N181 M182 A183L38-N140 PolarHBondContact O-N 2.94Å; G39-N140 WeakPolarHBondContact CA-O 3.41Å; Q43-N140 HydrophobicContact CG-CB 3.68Å; N140-N181 HydrophobicContact CB-CB 3.91Å; N140-N181 PolarHBondContact ND2-O 2.92Å; N140-M182 VanDerWaalsContact ND2-C 3.26Å; N140-A183 PolarHBondContact ND2-N 3.23Å; N140-A183 VanDerWaalsContact ND2-N 3.19Å
141S95.1Very high93.8Very high4 Ų428.5 Ų28.53%0.02816%0.155CC..  trans-145.1122164.6-160.80000108.5V116 D145 Y157V116-S141 PolarHBondContact N-OG 3.08Å; S141-D145 PolarHBondContact OG-OD2 2.72Å; S141-Y157 VanDerWaalsContact O-CE2 3.23Å; S141-Y157 WeakPolarHBondContact O-CE2 3.48Å; S141-Y157 VanDerWaalsContact O-CZ 3.29Å; S141-Y157 PolarHBondContact O-OH 2.91Å
142C96Very high93.5Very high1 Ų130.1 Ų30.11%0.00716%0.16CC..SBendtrans-159.2-53.1177.91800000109.1W144 D145 L146 Y157 A183C142-W144 PolarHBondContact O-N 2.81Å; C142-D145 PolarHBondContact O-N 3.31Å; C142-L146 WeakPolarHBondContact O-CB 3.46Å; C142-L146 VanDerWaalsContact O-CG 3.3Å; C142-L146 WeakPolarHBondContact O-CG 3.36Å; C142-L146 PolarHBondContact O-N 3.17Å; C142-L146 VanDerWaalsContact SG-CD1 3.58Å; C142-Y157 WeakPolarHBondContact CB-OH 3.42Å; C142-A183 HydrophobicContact CB-CB 3.95Å
143L92.8Very high93.4Very high8 Ų827.2 Ų27.24%0.04214%0.142CC..Hα-helixtrans-64.7-44.1-170.2-170.764.7000112.6S147 L186 F194 L206 V210 V247L143-S147 WeakPolarHBondContact O-CB 3.41Å; L143-S147 PolarHBondContact O-N 3.36Å; L143-S147 VanDerWaalsContact O-N 3.08Å; L143-S147 PolarHBondContact O-OG 2.93Å; L143-L186 HydrophobicContact CD1-CD1 3.56Å; L143-L186 HydrophobicContact CD1-CD2 3.76Å; L143-L186 HydrophobicContact CD1-CG 4.16Å; L143-L186 HydrophobicContact CD2-CD2 4.06Å; L143-F194 HydrophobicContact CB-CE1 4.49Å; L143-F194 HydrophobicContact CB-CZ 4.04Å; L143-F194 HydrophobicContact CD1-CE1 3.96Å; L143-F194 HydrophobicContact CD1-CZ 4.32Å; L143-F194 HydrophobicContact CD2-CD1 4.2Å; L143-F194 HydrophobicContact CD2-CD2 4.44Å; L143-F194 HydrophobicContact CD2-CE1 3.45Å; L143-F194 VanDerWaalsContact CD2-CE1 3.45Å; L143-F194 HydrophobicContact CD2-CE2 3.7Å; L143-F194 HydrophobicContact CD2-CZ 3.19Å; L143-F194 HydrophobicContact CG-CD1 4.41Å; L143-F194 HydrophobicContact CG-CE1 3.32Å; L143-F194 HydrophobicContact CG-CE2 4.2Å; L143-F194 HydrophobicContact CG-CZ 3.22Å; L143-L206 HydrophobicContact CD1-CD1 4.43Å; L143-L206 HydrophobicContact CD1-CD2 4.14Å; L143-L206 HydrophobicContact CD1-CG 4.33Å; L143-V210 HydrophobicContact CD1-CG2 3.85Å; L143-V247 HydrophobicContact CD2-CG1 3.61Å; L143-V247 HydrophobicContact CD2-CG2 4.26Å
144W93.4Very high93.3Very high14 Ų1425.6 Ų25.65%0.05312%0.124CC..Hα-helixtrans-66.7-45.5175.7-85.976.7000112.7D40 F112 T114 C142 L146 S147 R148 F194D40-W144 VanDerWaalsContact CB-CD1 3.44Å; F112-W144 HydrophobicContact CE1-CZ2 4.02Å; F112-W144 AromaticContact CZ-CZ2 3.96Å; F112-W144 HydrophobicContact CZ-CZ2 3.96Å; F112-W144 AromaticContact CZ-NE1 3.96Å; T114-W144 HydrophobicContact CG2-CD2 4.35Å; T114-W144 HydrophobicContact CG2-CE3 3.74Å; T114-W144 HydrophobicContact CG2-CH2 4.13Å; T114-W144 HydrophobicContact CG2-CZ3 3.63Å; T114-W144 VanDerWaalsContact O-CB 3.3Å; T114-W144 WeakPolarHBondContact O-CB 3.37Å; C142-W144 PolarHBondContact O-N 2.81Å; W144-L146 VanDerWaalsContact C-N 3.29Å; W144-L146 PolarHBondContact O-N 2.98Å; W144-S147 PolarHBondContact O-N 2.88Å; W144-R148 HydrophobicContact CD2-CG 4.33Å; W144-R148 HydrophobicContact CE3-CB 4.44Å; W144-R148 HydrophobicContact CE3-CG 3.73Å; W144-R148 HydrophobicContact CZ3-CG 4.16Å; W144-R148 WeakPolarHBondContact O-CB 3.4Å; W144-R148 PolarHBondContact O-N 3.22Å; W144-F194 AromaticContact CD1-CE2 3.76Å; W144-F194 AromaticContact CD1-CZ 3.79Å; W144-F194 HydrophobicContact CG-CZ 4.32Å; W144-F194 AromaticContact NE1-CE2 3.47Å; W144-F194 AromaticContact NE1-CZ 3.96Å
145D94.6Very high93.2Very high3 Ų331.4 Ų31.42%0.01615%0.151CC..Hα-helixtrans-54-47.1177.3-70.6-90.7000111.4R115 V116 S141 C142 Y149 S153 Y157R115-D145 WeakPolarHBondContact CG-OD1 3.35Å; V116-D145 PolarHBondContact N-OD1 3.45Å; V116-D145 PolarHBondContact N-OD2 2.68Å; V116-D145 VanDerWaalsContact N-OD2 3.08Å; S141-D145 PolarHBondContact OG-OD2 2.72Å; C142-D145 PolarHBondContact O-N 3.31Å; D145-Y149 WeakPolarHBondContact O-CD2 3.22Å; D145-S153 VanDerWaalsContact O-CB 3.29Å; D145-S153 WeakPolarHBondContact O-CB 3.3Å; D145-Y157 HydrophobicContact CB-CD2 3.34Å; D145-Y157 HydrophobicContact CB-CE2 3.95Å; D145-Y157 HydrophobicContact CB-CG 3.93Å; D145-Y157 VanDerWaalsContact CG-CD2 3.49Å
146L92.8Very high93.1Very high4 Ų431.3 Ų31.32%0.02115%0.153CC..Hα-helixtrans-75.1-30-177.4-63.5-179.4000113.7C142 W144 S153 M154 Y157 L206 D209 V210C142-L146 WeakPolarHBondContact O-CB 3.46Å; C142-L146 VanDerWaalsContact O-CG 3.3Å; C142-L146 WeakPolarHBondContact O-CG 3.36Å; C142-L146 PolarHBondContact O-N 3.17Å; C142-L146 VanDerWaalsContact SG-CD1 3.58Å; W144-L146 VanDerWaalsContact C-N 3.29Å; W144-L146 PolarHBondContact O-N 2.98Å; L146-S153 WeakPolarHBondContact O-CB 3.47Å; L146-S153 PolarHBondContact O-OG 2.93Å; L146-M154 HydrophobicContact CD1-CE 4.08Å; L146-M154 HydrophobicContact CD2-CB 4.18Å; L146-M154 HydrophobicContact CD2-CE 3.58Å; L146-M154 HydrophobicContact CD2-SD 3.96Å; L146-M154 HydrophobicContact CG-CE 4.5Å; L146-Y157 HydrophobicContact CD2-CD1 3.93Å; L146-Y157 HydrophobicContact CD2-CG 4.22Å; L146-Y157 HydrophobicContact CG-CD1 4.43Å; L146-L206 HydrophobicContact CB-CD1 3.79Å; L146-D209 VanDerWaalsContact CD1-C 3.5Å; L146-D209 HydrophobicContact CD1-CB 4.07Å; L146-D209 WeakPolarHBondContact CD1-O 3.13Å; L146-V210 HydrophobicContact CD1-CG2 4.01Å
147S88.2Confident93.1Very high2 Ų231.1 Ų31.11%0.01415%0.152CC..Hα-helixtrans-101-11.2-169.766.30000115.7L143 W144 F194 L199L143-S147 WeakPolarHBondContact O-CB 3.41Å; L143-S147 PolarHBondContact O-N 3.36Å; L143-S147 VanDerWaalsContact O-N 3.08Å; L143-S147 PolarHBondContact O-OG 2.93Å; W144-S147 PolarHBondContact O-N 2.88Å; S147-F194 WeakPolarHBondContact OG-CE1 3.36Å; S147-L199 WeakPolarHBondContact O-CD1 3.3Å
148R87.4Confident93Very high19 Ų1935.3 Ų35.37%0.07217%0.168CC..Hα-helixtrans-122.8-10.2-170.4-63.5-72.9-176.4143.113116N89 T91 W144 G193 F194 L196N89-R148 PolarHBondContact O-NH1 3.49Å; N89-R148 VanDerWaalsContact O-NH1 3.13Å; T91-R148 HydrophobicContact CG2-CB 3.99Å; W144-R148 HydrophobicContact CD2-CG 4.33Å; W144-R148 HydrophobicContact CE3-CB 4.44Å; W144-R148 HydrophobicContact CE3-CG 3.73Å; W144-R148 HydrophobicContact CZ3-CG 4.16Å; W144-R148 WeakPolarHBondContact O-CB 3.4Å; W144-R148 PolarHBondContact O-N 3.22Å; R148-G193 PolarHBondContact NH2-O 3.27Å; R148-F194 PolarHBondContact NE-O 2.96Å; R148-F194 VanDerWaalsContact NH2-C 3.34Å; R148-F194 VanDerWaalsContact NH2-CA 3.27Å; R148-F194 PolarHBondContact NH2-O 3.42Å; R148-L196 VanDerWaalsContact NH1-CD2 3.26Å; R148-L196 VanDerWaalsContact NH1-CG 3.26Å
149Y88.6Confident93Very high62 Ų6240.5 Ų40.524%0.24319%0.192CC..SBendtrans-109.723.8-170.3-65.1-88.1000114.1T91 T114 R115 D145T91-Y149 HydrophobicContact CG2-CE1 4.11Å; T91-Y149 HydrophobicContact CG2-CE2 4.3Å; T114-Y149 WeakPolarHBondContact O-CE2 3.21Å; T114-Y149 PolarHBondContact O-OH 3Å; R115-Y149 HydrophobicContact CB-CE2 4.24Å; R115-Y149 HydrophobicContact CG-CE1 4.25Å; R115-Y149 HydrophobicContact CG-CE2 4.07Å; D145-Y149 WeakPolarHBondContact O-CD2 3.22Å
150G85.6Confident93Very high26 Ų2640.9 Ų40.927%0.26819%0.194SC..  trans81.8-161.5173.200000114.1S153G150-S153 WeakPolarHBondContact O-CB 3.31Å; G150-S153 PolarHBondContact O-N 2.78Å; G150-S153 PolarHBondContact O-OG 3.18Å
151R81.9Confident93.1Very high237 Ų23740.7 Ų40.789%0.89419%0.193SC*.THydrogen-bonded Turntrans-73.2-27.5-167.8-65.9-175.2-178.9-149.81114.8S153R151-S153 VanDerWaalsContact C-N 3.28Å
152C87.4Confident93.2Very high70 Ų7044 Ų4447%0.47321%0.208SC..THydrogen-bonded Turntrans-95.123.1178.3-61.40000111.9M154 E155 S156C152-M154 VanDerWaalsContact C-N 3.31Å; C152-M154 PolarHBondContact O-N 2.79Å; C152-E155 PolarHBondContact O-N 3.22Å; C152-S156 PolarHBondContact O-N 3.35Å; C152-S156 PolarHBondContact O-OG 3Å
153S91Very high93.3Very high11 Ų1150.1 Ų50.18%0.07723%0.231CC..Hα-helixtrans-59.1-39.2-173.855.50000112.9D145 L146 G150 R151 Y157D145-S153 VanDerWaalsContact O-CB 3.29Å; D145-S153 WeakPolarHBondContact O-CB 3.3Å; L146-S153 WeakPolarHBondContact O-CB 3.47Å; L146-S153 PolarHBondContact O-OG 2.93Å; G150-S153 WeakPolarHBondContact O-CB 3.31Å; G150-S153 PolarHBondContact O-N 2.78Å; G150-S153 PolarHBondContact O-OG 3.18Å; R151-S153 VanDerWaalsContact C-N 3.28Å; S153-Y157 WeakPolarHBondContact O-CB 3.28Å; S153-Y157 PolarHBondContact O-N 3.48Å
154M94.4Very high93.6Very high28 Ų2849.7 Ų49.714%0.13823%0.229CC..Hα-helixtrans-64.5-45.2176.6-179.857.175.300112.6L146 C152 Y157 R158 D209 E212L146-M154 HydrophobicContact CD1-CE 4.08Å; L146-M154 HydrophobicContact CD2-CB 4.18Å; L146-M154 HydrophobicContact CD2-CE 3.58Å; L146-M154 HydrophobicContact CD2-SD 3.96Å; L146-M154 HydrophobicContact CG-CE 4.5Å; C152-M154 VanDerWaalsContact C-N 3.31Å; C152-M154 PolarHBondContact O-N 2.79Å; M154-Y157 PolarHBondContact O-N 3.06Å; M154-Y157 HydrophobicContact SD-CD1 4.22Å; M154-R158 WeakPolarHBondContact O-CG 3.3Å; M154-R158 PolarHBondContact O-N 2.91Å; M154-R158 HydrophobicContact SD-CG 4.32Å; M154-D209 HydrophobicContact CE-CB 4.15Å; M154-D209 WeakPolarHBondContact CE-O 3.48Å; M154-E212 HydrophobicContact CE-CB 4.06Å; M154-E212 HydrophobicContact CE-CG 4.15Å
155E96.2Very high93.9Very high125 Ų12549.1 Ų49.158%0.58423%0.227SC*.Hα-helixtrans-61.9-50.6178.5-66.1172.317200110.5C152 Y157 R158 E159C152-E155 PolarHBondContact O-N 3.22Å; E155-Y157 VanDerWaalsContact C-N 3.28Å; E155-Y157 PolarHBondContact O-N 3.35Å; E155-R158 PolarHBondContact O-N 2.93Å; E155-E159 PolarHBondContact O-N 3.37Å; E155-E159 VanDerWaalsContact O-N 3.09Å
156S96.9Very high94Very high33 Ų3352 Ų5223%0.23125%0.245CC..Hα-helixtrans-62.4-34176.2-66.30000113C152 N160C152-S156 PolarHBondContact O-N 3.35Å; C152-S156 PolarHBondContact O-OG 3Å; S156-N160 WeakPolarHBondContact O-CB 3.21Å; S156-N160 PolarHBondContact O-N 2.81Å; S156-N160 PolarHBondContact O-ND2 3.05Å
157Y97.9Very high94.3Very high1 Ų155 Ų550%0.00426%0.256CS..Hα-helixtrans-65.1-44.9176.9175.4-123.9000111.2V116 S141 C142 D145 L146 S153 M154 E155 N160 L161V116-Y157 HydrophobicContact CB-CD2 4.46Å; V116-Y157 HydrophobicContact CB-CE2 4.16Å; V116-Y157 HydrophobicContact CG1-CD2 3.85Å; V116-Y157 HydrophobicContact CG1-CE2 3.95Å; S141-Y157 VanDerWaalsContact O-CE2 3.23Å; S141-Y157 WeakPolarHBondContact O-CE2 3.48Å; S141-Y157 VanDerWaalsContact O-CZ 3.29Å; S141-Y157 PolarHBondContact O-OH 2.91Å; C142-Y157 WeakPolarHBondContact CB-OH 3.42Å; D145-Y157 HydrophobicContact CB-CD2 3.34Å; D145-Y157 HydrophobicContact CB-CE2 3.95Å; D145-Y157 HydrophobicContact CB-CG 3.93Å; D145-Y157 VanDerWaalsContact CG-CD2 3.49Å; L146-Y157 HydrophobicContact CD2-CD1 3.93Å; L146-Y157 HydrophobicContact CD2-CG 4.22Å; L146-Y157 HydrophobicContact CG-CD1 4.43Å; S153-Y157 WeakPolarHBondContact O-CB 3.28Å; S153-Y157 PolarHBondContact O-N 3.48Å; M154-Y157 PolarHBondContact O-N 3.06Å; M154-Y157 HydrophobicContact SD-CD1 4.22Å; E155-Y157 VanDerWaalsContact C-N 3.28Å; E155-Y157 PolarHBondContact O-N 3.35Å; Y157-N160 PolarHBondContact O-N 3.19Å; Y157-L161 HydrophobicContact CD1-CD1 3.99Å; Y157-L161 HydrophobicContact CD2-CD1 4.3Å; Y157-L161 HydrophobicContact CD2-CG 4.21Å; Y157-L161 HydrophobicContact CE1-CD1 3.57Å; Y157-L161 HydrophobicContact CE1-CG 4.41Å; Y157-L161 HydrophobicContact CE2-CD1 3.92Å; Y157-L161 HydrophobicContact CE2-CD2 4.06Å; Y157-L161 HydrophobicContact CE2-CG 3.86Å; Y157-L161 HydrophobicContact CG-CD1 4.35Å; Y157-L161 WeakPolarHBondContact O-CG 3.18Å; Y157-L161 PolarHBondContact O-N 3.36Å
158R98.5Very high94.7Very high87 Ų8755 Ų5533%0.32826%0.255SS..Hα-helixtrans-60.9-49.2175.6-67.7176.8-175.8-174.1-0.9111.7M154 E155 N160 L161 E162 E212 Y216M154-R158 WeakPolarHBondContact O-CG 3.3Å; M154-R158 PolarHBondContact O-N 2.91Å; M154-R158 HydrophobicContact SD-CG 4.32Å; E155-R158 PolarHBondContact O-N 2.93Å; R158-N160 PolarHBondContact O-N 2.7Å; R158-L161 WeakPolarHBondContact O-CB 3.31Å; R158-L161 PolarHBondContact O-N 2.84Å; R158-L161 VanDerWaalsContact O-N 3.13Å; R158-E162 WeakPolarHBondContact O-CG 3.38Å; R158-E162 PolarHBondContact O-N 2.8Å; R158-E162 VanDerWaalsContact O-N 3.13Å; R158-E212 IonicContact CZ-OE1 2.82Å; R158-E212 IonicContact NH2-OE1 3.89Å; R158-E212 PolarHBondContact NH2-OE1 3.3Å; R158-Y216 HydrophobicContact CB-CD1 4.35Å; R158-Y216 HydrophobicContact CB-CE1 3.82Å; R158-Y216 HydrophobicContact CB-CE2 4.3Å; R158-Y216 HydrophobicContact CG-CD1 3.84Å; R158-Y216 HydrophobicContact CG-CD2 3.98Å; R158-Y216 HydrophobicContact CG-CE1 3.79Å; R158-Y216 HydrophobicContact CG-CE2 3.91Å; R158-Y216 HydrophobicContact CG-CG 3.95Å
159E98.5Very high95.2Very high111 Ų11157.9 Ų57.952%0.51927%0.272SS..Hα-helixtrans-58.2-39176.5-70178.2-179.900112.6E155 R163E155-E159 PolarHBondContact O-N 3.37Å; E155-E159 VanDerWaalsContact O-N 3.09Å; E159-R163 WeakPolarHBondContact O-CG 3.41Å; E159-R163 PolarHBondContact O-N 3.47Å
160N98.6Very high95.6Very high9 Ų960.7 Ų60.75%0.04829%0.288CS..Hα-helixtrans-70.9-34.8178.1-80-14.8000112.7R115 V116 S156 Y157 R158 R163 V164R115-N160 PolarHBondContact NE-ND2 3Å; R115-N160 PolarHBondContact NH2-ND2 2.82Å; V116-N160 HydrophobicContact CG1-CB 3.49Å; V116-N160 VanDerWaalsContact CG1-CB 3.49Å; S156-N160 WeakPolarHBondContact O-CB 3.21Å; S156-N160 PolarHBondContact O-N 2.81Å; S156-N160 PolarHBondContact O-ND2 3.05Å; Y157-N160 PolarHBondContact O-N 3.19Å; R158-N160 PolarHBondContact O-N 2.7Å; N160-R163 PolarHBondContact O-N 3.16Å; N160-V164 WeakPolarHBondContact O-CG1 3.24Å; N160-V164 PolarHBondContact O-N 3.31Å
161L98.7Very high96.1Very high0 Ų060.5 Ų60.50%028%0.281CS..Hα-helixtrans-62.5-46.9174.6-79169.5000111.7V116 Y157 R158 R163 V164 F165 W180 Y216 L220V116-L161 HydrophobicContact CG1-CD2 4.44Å; V116-L161 HydrophobicContact CG1-CG 4.37Å; V116-L161 HydrophobicContact CG2-CD2 3.92Å; Y157-L161 HydrophobicContact CD1-CD1 3.99Å; Y157-L161 HydrophobicContact CD2-CD1 4.3Å; Y157-L161 HydrophobicContact CD2-CG 4.21Å; Y157-L161 HydrophobicContact CE1-CD1 3.57Å; Y157-L161 HydrophobicContact CE1-CG 4.41Å; Y157-L161 HydrophobicContact CE2-CD1 3.92Å; Y157-L161 HydrophobicContact CE2-CD2 4.06Å; Y157-L161 HydrophobicContact CE2-CG 3.86Å; Y157-L161 HydrophobicContact CG-CD1 4.35Å; Y157-L161 WeakPolarHBondContact O-CG 3.18Å; Y157-L161 PolarHBondContact O-N 3.36Å; R158-L161 WeakPolarHBondContact O-CB 3.31Å; R158-L161 PolarHBondContact O-N 2.84Å; R158-L161 VanDerWaalsContact O-N 3.13Å; L161-R163 PolarHBondContact O-N 2.81Å; L161-V164 HydrophobicContact CD2-CG1 4.48Å; L161-V164 WeakPolarHBondContact O-CG1 3.46Å; L161-V164 PolarHBondContact O-N 2.77Å; L161-F165 HydrophobicContact CD2-CE1 4.02Å; L161-F165 HydrophobicContact CD2-CZ 3.95Å; L161-F165 PolarHBondContact O-N 3.38Å; L161-W180 HydrophobicContact CD2-CH2 3.54Å; L161-W180 HydrophobicContact CD2-CZ2 3.76Å; L161-W180 HydrophobicContact CD2-CZ3 4.26Å; L161-Y216 HydrophobicContact CB-CE1 4.43Å; L161-Y216 HydrophobicContact CD1-CD1 3.68Å; L161-Y216 HydrophobicContact CD1-CE1 4.11Å; L161-L220 HydrophobicContact CB-CD2 3.81Å
162E98.4Very high96.9Very high72 Ų7250 Ų5034%0.33624%0.242SC..Hα-helixtrans-53.6-46.3174.5-62.3-64.4155.300111.1R158 V166 Y216 L220R158-E162 WeakPolarHBondContact O-CG 3.38Å; R158-E162 PolarHBondContact O-N 2.8Å; R158-E162 VanDerWaalsContact O-N 3.13Å; E162-V166 VanDerWaalsContact O-CG2 3.3Å; E162-V166 WeakPolarHBondContact O-CG2 3.48Å; E162-V166 PolarHBondContact O-N 2.83Å; E162-Y216 PolarHBondContact OE1-OH 2.92Å; E162-L220 HydrophobicContact CG-CD2 4.39Å; E162-L220 WeakPolarHBondContact OE1-CD1 3.46Å; E162-L220 WeakPolarHBondContact OE2-CD1 3.32Å
163R98.6Very high97.3Very high130 Ų13048.8 Ų48.849%0.49123%0.234SC..Hα-helixtrans-65.4-49.8179.5-68176.1-169.3-173.25.5111.9Y117 E159 N160 L161 F165 V166 R167Y117-R163 HydrophobicContact CD1-CB 4.03Å; Y117-R163 HydrophobicContact CD2-CB 4.08Å; Y117-R163 HydrophobicContact CE1-CB 4.06Å; Y117-R163 HydrophobicContact CE1-CG 4.47Å; Y117-R163 HydrophobicContact CE2-CB 4.12Å; Y117-R163 HydrophobicContact CG-CB 4.04Å; E159-R163 WeakPolarHBondContact O-CG 3.41Å; E159-R163 PolarHBondContact O-N 3.47Å; N160-R163 PolarHBondContact O-N 3.16Å; L161-R163 PolarHBondContact O-N 2.81Å; R163-F165 VanDerWaalsContact C-N 3.31Å; R163-F165 PolarHBondContact O-N 3.16Å; R163-V166 PolarHBondContact O-N 2.85Å; R163-R167 WeakPolarHBondContact O-CB 3.25Å; R163-R167 WeakPolarHBondContact O-CG 3.35Å; R163-R167 PolarHBondContact O-N 3.16Å
164V98.4Very high97.5Very high0 Ų056.7 Ų56.70%028%0.275CS..Hα-helixtrans-65-36.9-175.864.30000111.5V116 Y117 L121 N160 L161 R167 M168V116-V164 HydrophobicContact CG2-CG1 3.69Å; Y117-V164 HydrophobicContact CD2-CB 4.08Å; L121-V164 HydrophobicContact CD2-CB 4.34Å; L121-V164 HydrophobicContact CD2-CG2 3.5Å; L121-V164 VanDerWaalsContact CD2-CG2 3.5Å; N160-V164 WeakPolarHBondContact O-CG1 3.24Å; N160-V164 PolarHBondContact O-N 3.31Å; L161-V164 HydrophobicContact CD2-CG1 4.48Å; L161-V164 WeakPolarHBondContact O-CG1 3.46Å; L161-V164 PolarHBondContact O-N 2.77Å; V164-R167 PolarHBondContact O-N 3.35Å; V164-M168 HydrophobicContact CG2-CE 3.87Å; V164-M168 HydrophobicContact CG2-CG 4.12Å; V164-M168 WeakPolarHBondContact O-CB 3.3Å; V164-M168 WeakPolarHBondContact O-CG 3.43Å; V164-M168 PolarHBondContact O-N 2.83Å
165F98.5Very high97.6Very high2 Ų259.9 Ų59.91%0.00930%0.3CS..Hα-helixtrans-71.4-41.7-177.7-72.49.6000111.6L161 R163 R167 M168 D169 W180 L220 A221 H224 F226L161-F165 HydrophobicContact CD2-CE1 4.02Å; L161-F165 HydrophobicContact CD2-CZ 3.95Å; L161-F165 PolarHBondContact O-N 3.38Å; R163-F165 VanDerWaalsContact C-N 3.31Å; R163-F165 PolarHBondContact O-N 3.16Å; F165-R167 VanDerWaalsContact C-N 3.26Å; F165-R167 PolarHBondContact O-N 2.88Å; F165-M168 PolarHBondContact O-N 3.03Å; F165-D169 PolarHBondContact O-N 3.11Å; F165-W180 HydrophobicContact CE1-CD2 4.17Å; F165-W180 AromaticContact CE1-CE3 3.46Å; F165-W180 HydrophobicContact CE1-CE3 3.46Å; F165-W180 VanDerWaalsContact CE1-CE3 3.46Å; F165-W180 HydrophobicContact CE1-CH2 4.19Å; F165-W180 AromaticContact CE1-CZ3 3.5Å; F165-W180 HydrophobicContact CE1-CZ3 3.5Å; F165-W180 VanDerWaalsContact CE1-CZ3 3.5Å; F165-W180 AromaticContact CZ-CD2 3.76Å; F165-W180 HydrophobicContact CZ-CD2 3.76Å; F165-W180 AromaticContact CZ-CE3 3.54Å; F165-W180 HydrophobicContact CZ-CE3 3.54Å; F165-W180 HydrophobicContact CZ-CG 4.36Å; F165-W180 HydrophobicContact CZ-CH2 4.31Å; F165-W180 HydrophobicContact CZ-CZ2 4.42Å; F165-W180 AromaticContact CZ-CZ3 3.87Å; F165-W180 HydrophobicContact CZ-CZ3 3.87Å; F165-L220 HydrophobicContact CD2-CB 4.13Å; F165-L220 HydrophobicContact CD2-CD2 3.7Å; F165-L220 HydrophobicContact CD2-CG 3.61Å; F165-L220 HydrophobicContact CE2-CB 3.95Å; F165-L220 HydrophobicContact CE2-CD2 3.99Å; F165-L220 HydrophobicContact CE2-CG 3.94Å; F165-L220 HydrophobicContact CG-CD2 4.33Å; F165-A221 VanDerWaalsContact CE2-CA 3.47Å; F165-A221 HydrophobicContact CE2-CB 3.73Å; F165-A221 VanDerWaalsContact CE2-N 3.32Å; F165-A221 HydrophobicContact CZ-CB 4.2Å; F165-H224 AromaticContact CD2-CD2 3.96Å; F165-F226 HydrophobicContact CB-CE2 3.88Å; F165-F226 HydrophobicContact CD1-CD2 4.5Å; F165-F226 HydrophobicContact CD1-CE2 4.22Å; F165-F226 HydrophobicContact CD2-CD2 4.2Å; F165-F226 HydrophobicContact CD2-CE2 4.28Å; F165-F226 HydrophobicContact CG-CD2 4.2Å; F165-F226 AromaticContact CG-CE2 3.88Å; F165-F226 HydrophobicContact CG-CE2 3.88Å
166V98.4Very high97.7Very high64 Ų6454.9 Ų54.939%0.38828%0.279SS..Hα-helixtrans-57.6-40.7169.5171.40000111.6E162 R163 Q170E162-V166 VanDerWaalsContact O-CG2 3.3Å; E162-V166 WeakPolarHBondContact O-CG2 3.48Å; E162-V166 PolarHBondContact O-N 2.83Å; R163-V166 PolarHBondContact O-N 2.85Å; V166-Q170 VanDerWaalsContact O-CG 3.24Å; V166-Q170 WeakPolarHBondContact O-CG 3.45Å; V166-Q170 PolarHBondContact O-N 3.31Å
167R98.2Very high97.8Very high67 Ų6754.4 Ų54.425%0.25327%0.273SS..Hα-helixtrans-71-36.3179-68-66.6-65.91353112.4Y117 E122 L125 R163 V164 F165 Q170 V171Y117-R167 HydrophobicContact CE2-CG 4.13Å; E122-R167 IonicContact OE1-NE 3.44Å; E122-R167 PolarHBondContact OE1-NE 3.19Å; E122-R167 IonicContact OE2-CZ 3.65Å; E122-R167 IonicContact OE2-NE 3.76Å; E122-R167 PolarHBondContact OE2-NE 3.4Å; E122-R167 VanDerWaalsContact OE2-NE 3.11Å; E122-R167 IonicContact OE2-NH2 2.81Å; E122-R167 PolarHBondContact OE2-NH2 2.89Å; L125-R167 HydrophobicContact CD1-CB 3.78Å; R163-R167 WeakPolarHBondContact O-CB 3.25Å; R163-R167 WeakPolarHBondContact O-CG 3.35Å; R163-R167 PolarHBondContact O-N 3.16Å; V164-R167 PolarHBondContact O-N 3.35Å; F165-R167 VanDerWaalsContact C-N 3.26Å; F165-R167 PolarHBondContact O-N 2.88Å; R167-Q170 PolarHBondContact O-N 3.38Å; R167-V171 WeakPolarHBondContact O-CB 3.47Å; R167-V171 WeakPolarHBondContact O-CG2 3.45Å; R167-V171 PolarHBondContact O-N 3.27Å
168M97.7Very high97.8Very high1 Ų154.8 Ų54.81%0.00528%0.275CS..Hα-helixtrans-63.3-44.9175-71.1-68.4179.300111.2L38 L125 I139 V164 F165 Q170 V171 L172 L178 F226L38-M168 HydrophobicContact CD1-CE 3.72Å; L125-M168 HydrophobicContact CD2-CE 3.85Å; L125-M168 HydrophobicContact CD2-SD 3.73Å; I139-M168 HydrophobicContact CD1-CE 3.98Å; V164-M168 HydrophobicContact CG2-CE 3.87Å; V164-M168 HydrophobicContact CG2-CG 4.12Å; V164-M168 WeakPolarHBondContact O-CB 3.3Å; V164-M168 WeakPolarHBondContact O-CG 3.43Å; V164-M168 PolarHBondContact O-N 2.83Å; F165-M168 PolarHBondContact O-N 3.03Å; M168-Q170 PolarHBondContact O-N 2.83Å; M168-V171 PolarHBondContact O-N 3.4Å; M168-L172 HydrophobicContact CB-CD1 4.22Å; M168-L172 WeakPolarHBondContact O-CB 3.33Å; M168-L172 WeakPolarHBondContact O-CG 3.24Å; M168-L172 PolarHBondContact O-N 2.89Å; M168-L172 HydrophobicContact SD-CD1 3.89Å; M168-L172 HydrophobicContact SD-CG 4.23Å; M168-L178 HydrophobicContact CB-CD1 3.87Å; M168-L178 HydrophobicContact CG-CD1 3.84Å; M168-L178 HydrophobicContact SD-CD1 4.06Å; M168-F226 HydrophobicContact CB-CE2 4.19Å; M168-F226 HydrophobicContact CB-CZ 3.86Å
169D96.4Very high97.8Very high79 Ų7950.6 Ų50.642%0.42226%0.26SS..Hα-helixtrans-57.3-34.1174.1-80-18.6000113.1F165 H224 F226F165-D169 PolarHBondContact O-N 3.11Å; D169-H224 IonicContact OD2-CE1 2.94Å; D169-H224 PolarHBondContact OD2-CE1 3.27Å; D169-H224 IonicContact OD2-CG 3.41Å; D169-H224 IonicContact OD2-ND1 3.18Å; D169-H224 PolarHBondContact OD2-ND1 2.81Å; D169-F226 WeakPolarHBondContact OD1-CE1 3.38Å; D169-F226 WeakPolarHBondContact OD1-CZ 3.24Å
170Q96.8Very high97.8Very high122 Ų12245.4 Ų45.457%0.5724%0.235SC*.Hα-helixtrans-80.4-30.1-178.3-71.9169.42.200113.3V166 R167 M168V166-Q170 VanDerWaalsContact O-CG 3.24Å; V166-Q170 WeakPolarHBondContact O-CG 3.45Å; V166-Q170 PolarHBondContact O-N 3.31Å; R167-Q170 PolarHBondContact O-N 3.38Å; M168-Q170 PolarHBondContact O-N 2.83Å
171V97.3Very high97.8Very high21 Ų2145 Ų4513%0.12723%0.233CC..Hα-helixtrans-101-38-168.61670000112L125 L128 T129 R167 M168L125-V171 HydrophobicContact CB-CG1 4.21Å; L125-V171 HydrophobicContact CB-CG2 4.27Å; L125-V171 HydrophobicContact CD2-CG1 4.16Å; L125-V171 WeakPolarHBondContact O-CG1 3.38Å; L128-V171 HydrophobicContact CB-CG1 4.35Å; T129-V171 WeakPolarHBondContact OG1-CG1 3.39Å; R167-V171 WeakPolarHBondContact O-CB 3.47Å; R167-V171 WeakPolarHBondContact O-CG2 3.45Å; R167-V171 PolarHBondContact O-N 3.27Å; M168-V171 PolarHBondContact O-N 3.4Å
172L97.6Very high97.8Very high17 Ų1745.9 Ų45.99%0.08924%0.237CC..SBendtrans-79.2140.5-177.5-59.6-177.9000110.4L128 P134 V137 M168 C176 L178L128-L172 HydrophobicContact CD1-CD2 4.42Å; P134-L172 HydrophobicContact CG-CD2 3.81Å; V137-L172 HydrophobicContact CB-CD1 4.25Å; V137-L172 HydrophobicContact CG2-CD1 3.94Å; V137-L172 HydrophobicContact CG2-CD2 3.79Å; M168-L172 HydrophobicContact CB-CD1 4.22Å; M168-L172 WeakPolarHBondContact O-CB 3.33Å; M168-L172 WeakPolarHBondContact O-CG 3.24Å; M168-L172 PolarHBondContact O-N 2.89Å; M168-L172 HydrophobicContact SD-CD1 3.89Å; M168-L172 HydrophobicContact SD-CG 4.23Å; L172-C176 HydrophobicContact CB-CB 4.14Å; L172-L178 HydrophobicContact CD1-CB 4.3Å; L172-L178 HydrophobicContact CD1-CD1 3.65Å; L172-L178 HydrophobicContact CD1-CG 4.44Å
173P96.2Very high97.8Very high44 Ų4442.8 Ų42.829%0.28622%0.224SC..  trans-68.6151.7174.530.3-34.7000110.2A133 S175 C176A133-P173 HydrophobicContact CB-CG 4.27Å; P173-S175 PolarHBondContact O-N 2.71Å; P173-C176 HydrophobicContact CG-CB 3.86Å; P173-C176 WeakPolarHBondContact O-CB 3.5Å; P173-C176 PolarHBondContact O-N 2.95Å
174D95.1Very high97.7Very high177 Ų17737.1 Ų37.195%0.94720%0.204SC*.THydrogen-bonded Turntrans-54.4-23.6177.8-60.9-16.1000113.8
175S95.8Very high97.6Very high96 Ų9637.6 Ų37.667%0.67121%0.207SC*.THydrogen-bonded Turntrans-82.6-9.317761.40000114.3P173P173-S175 PolarHBondContact O-N 2.71Å
176C98.5Very high97.4Very high19 Ų1938 Ų3813%0.12821%0.209CC..PPolyproline II helixtrans-77.8129.3179.9-168.80000110.1P134 L172 P173P134-C176 WeakPolarHBondContact O-CB 3.22Å; P134-C176 PolarHBondContact O-SG 3.41Å; L172-C176 HydrophobicContact CB-CB 4.14Å; P173-C176 HydrophobicContact CG-CB 3.86Å; P173-C176 WeakPolarHBondContact O-CB 3.5Å; P173-C176 PolarHBondContact O-N 2.95Å
177L98.7Very high97.1Very high23 Ų2335.1 Ų35.112%0.1219%0.192CC..EExtended strand (participates in β ladder)trans-84.5116.3169.1179.161000109.3D135 L136 V137 V179 D227 V265 A268D135-L177 PolarHBondContact O-N 3.02Å; L136-L177 CarbonylContact C-O 3.45Å; L136-L177 WeakPolarHBondContact CA-O 3.32Å; L136-L177 HydrophobicContact CD1-CB 4.18Å; L136-L177 HydrophobicContact CD1-CD2 4.1Å; L136-L177 HydrophobicContact CD1-CG 4.07Å; L136-L177 WeakPolarHBondContact CD1-O 3.42Å; V137-L177 PolarHBondContact N-O 3.4Å; L177-V179 HydrophobicContact CD2-CG2 4.2Å; L177-V179 HydrophobicContact CG-CG2 3.99Å; L177-D227 HydrophobicContact CD1-CB 4.37Å; L177-D227 WeakPolarHBondContact CD1-OD2 3.44Å; L177-V265 HydrophobicContact CD2-CB 4.44Å; L177-V265 HydrophobicContact CD2-CG1 4.38Å; L177-V265 HydrophobicContact CD2-CG2 4.13Å; L177-A268 HydrophobicContact CD1-CB 4.1Å; L177-A268 HydrophobicContact CD2-CB 3.67Å
178L98.8Very high96.5Very high9 Ų939.6 Ų39.65%0.04722%0.216CC..EExtended strand (participates in β ladder)trans-97122.5168.4-170.2154.8000109.9V137 I139 M168 L172 W180 F226 D227V137-L178 HydrophobicContact CB-CG 4.4Å; V137-L178 HydrophobicContact CG1-CD1 4.39Å; V137-L178 HydrophobicContact CG1-CG 4.34Å; V137-L178 CarbonylContact O-C 3.59Å; V137-L178 WeakPolarHBondContact O-CA 3.37Å; I139-L178 HydrophobicContact CG2-CD2 3.93Å; I139-L178 HydrophobicContact CG2-CG 4.37Å; M168-L178 HydrophobicContact CB-CD1 3.87Å; M168-L178 HydrophobicContact CG-CD1 3.84Å; M168-L178 HydrophobicContact SD-CD1 4.06Å; L172-L178 HydrophobicContact CD1-CB 4.3Å; L172-L178 HydrophobicContact CD1-CD1 3.65Å; L172-L178 HydrophobicContact CD1-CG 4.44Å; L178-W180 HydrophobicContact CD2-CB 4.36Å; L178-F226 HydrophobicContact CB-CD1 4.01Å; L178-F226 HydrophobicContact CB-CE1 4.44Å; L178-F226 HydrophobicContact CB-CG 4.32Å; L178-F226 HydrophobicContact CD1-CD1 4.4Å; L178-F226 HydrophobicContact CD1-CD2 4.3Å; L178-F226 HydrophobicContact CD1-CE1 4.31Å; L178-F226 HydrophobicContact CD1-CE2 4.19Å; L178-F226 HydrophobicContact CD1-CG 4.41Å; L178-F226 HydrophobicContact CD1-CZ 4.2Å; L178-F226 HydrophobicContact CD2-CB 3.77Å; L178-F226 HydrophobicContact CD2-CD1 4.28Å; L178-F226 HydrophobicContact CD2-CD2 3.87Å; L178-F226 HydrophobicContact CD2-CG 3.72Å; L178-F226 HydrophobicContact CG-CD1 4.45Å; L178-F226 HydrophobicContact CG-CG 4.36Å; L178-D227 WeakPolarHBondContact O-CB 3.41Å; L178-D227 PolarHBondContact O-N 2.94Å; L178-D227 VanDerWaalsContact O-N 3.07Å
179V98.8Very high95.9Very high0 Ų049.4 Ų49.40%025%0.253CS..EExtended strand (participates in β ladder)trans-111.8110.4173-173.60000109.9L136 V137 I139 L177 N181 D227 L229 L261L136-V179 HydrophobicContact CD1-CG2 3.94Å; V137-V179 PolarHBondContact O-N 2.95Å; I139-V179 PolarHBondContact N-O 3.1Å; L177-V179 HydrophobicContact CD2-CG2 4.2Å; L177-V179 HydrophobicContact CG-CG2 3.99Å; V179-N181 PolarHBondContact O-N 3.16Å; V179-D227 CarbonylContact C-O 3.56Å; V179-D227 WeakPolarHBondContact CA-O 3.5Å; V179-D227 HydrophobicContact CG2-CB 4.27Å; V179-L229 HydrophobicContact CG1-CB 4.01Å; V179-L261 HydrophobicContact CB-CD1 4.32Å; V179-L261 HydrophobicContact CG1-CD1 3.89Å
180W98.8Very high95.3Very high1 Ų146.7 Ų46.70%0.00424%0.238CC..EExtended strand (participates in β ladder)trans-81.3104.7170-175.5-97.3000110.2V116 I139 L161 F165 L178 S217 A221 D227 V228 L229V116-W180 HydrophobicContact CG2-CH2 3.77Å; V116-W180 HydrophobicContact CG2-CZ3 4.16Å; I139-W180 HydrophobicContact CB-CE3 4.31Å; I139-W180 HydrophobicContact CB-CZ3 4.36Å; I139-W180 HydrophobicContact CD1-CZ3 3.87Å; I139-W180 HydrophobicContact CG1-CE3 4.16Å; I139-W180 HydrophobicContact CG1-CZ3 3.71Å; I139-W180 HydrophobicContact CG2-CD2 4.37Å; I139-W180 HydrophobicContact CG2-CE3 3.4Å; I139-W180 HydrophobicContact CG2-CZ3 3.86Å; L161-W180 HydrophobicContact CD2-CH2 3.54Å; L161-W180 HydrophobicContact CD2-CZ2 3.76Å; L161-W180 HydrophobicContact CD2-CZ3 4.26Å; F165-W180 HydrophobicContact CE1-CD2 4.17Å; F165-W180 AromaticContact CE1-CE3 3.46Å; F165-W180 HydrophobicContact CE1-CE3 3.46Å; F165-W180 VanDerWaalsContact CE1-CE3 3.46Å; F165-W180 HydrophobicContact CE1-CH2 4.19Å; F165-W180 AromaticContact CE1-CZ3 3.5Å; F165-W180 HydrophobicContact CE1-CZ3 3.5Å; F165-W180 VanDerWaalsContact CE1-CZ3 3.5Å; F165-W180 AromaticContact CZ-CD2 3.76Å; F165-W180 HydrophobicContact CZ-CD2 3.76Å; F165-W180 AromaticContact CZ-CE3 3.54Å; F165-W180 HydrophobicContact CZ-CE3 3.54Å; F165-W180 HydrophobicContact CZ-CG 4.36Å; F165-W180 HydrophobicContact CZ-CH2 4.31Å; F165-W180 HydrophobicContact CZ-CZ2 4.42Å; F165-W180 AromaticContact CZ-CZ3 3.87Å; F165-W180 HydrophobicContact CZ-CZ3 3.87Å; L178-W180 HydrophobicContact CD2-CB 4.36Å; W180-S217 VanDerWaalsContact NE1-CB 3.34Å; W180-S217 PolarHBondContact NE1-OG 2.98Å; W180-A221 HydrophobicContact CB-CB 4.11Å; W180-A221 HydrophobicContact CG-CB 4.28Å; W180-D227 PolarHBondContact N-O 3.3Å; W180-V228 HydrophobicContact CB-CG2 4.48Å; W180-V228 WeakPolarHBondContact O-CA 3.47Å; W180-L229 PolarHBondContact O-N 2.7Å
181N98.6Very high94.4Very high0 Ų044.5 Ų44.50%023%0.233CC..EExtended strand (participates in β ladder)trans-76.3126.8171.3-80.6-13.7000108.8Q43 I138 I139 N140 V179 L229 L231Q43-N181 PolarHBondContact OE1-ND2 3.47Å; I138-N181 VanDerWaalsContact CG2-ND2 3.3Å; I138-N181 WeakPolarHBondContact CG2-ND2 3.16Å; I139-N181 PolarHBondContact O-N 2.77Å; N140-N181 HydrophobicContact CB-CB 3.91Å; N140-N181 PolarHBondContact ND2-O 2.92Å; V179-N181 PolarHBondContact O-N 3.16Å; N181-L229 WeakPolarHBondContact OD1-CB 3.43Å; N181-L231 HydrophobicContact CB-CD1 3.83Å; N181-L231 HydrophobicContact CB-CG 4.42Å
182M98.6Very high93.1Very high19 Ų1946.2 Ų46.29%0.09426%0.255CS..PPolyproline II helixtrans-70.1154.5164.5-65.5-162.3-149.600110.8N140 N214 A218 V228 L229 D230 L231N140-M182 VanDerWaalsContact ND2-C 3.26Å; M182-N214 HydrophobicContact CB-CB 4.34Å; M182-N214 HydrophobicContact CG-CB 4.35Å; M182-N214 HydrophobicContact SD-CB 3.84Å; M182-A218 HydrophobicContact CE-CB 3.23Å; M182-A218 HydrophobicContact SD-CB 4.1Å; M182-V228 HydrophobicContact CE-CG1 3.48Å; M182-V228 VanDerWaalsContact CE-CG1 3.48Å; M182-V228 HydrophobicContact CG-CG1 4.19Å; M182-L229 PolarHBondContact N-O 3.05Å; M182-D230 HydrophobicContact CE-CB 3.87Å; M182-D230 HydrophobicContact SD-CB 4.24Å; M182-L231 WeakPolarHBondContact O-CB 3.13Å
183A98.1Very high91.5Very high7 Ų747.8 Ų47.86%0.05828%0.275CS..PPolyproline II helixtrans-69.8136.6175.600000111.8N140 C142 V210 N214 H232N140-A183 PolarHBondContact ND2-N 3.23Å; N140-A183 VanDerWaalsContact ND2-N 3.19Å; C142-A183 HydrophobicContact CB-CB 3.95Å; A183-V210 HydrophobicContact CB-CG1 3.91Å; A183-N214 PolarHBondContact N-OD1 2.82Å; A183-N214 PolarHBondContact O-ND2 3.29Å; A183-H232 WeakPolarHBondContact O-CB 3.2Å; A183-H232 PolarHBondContact O-ND1 3.28Å
184M97.4Very high89.8Confident12 Ų1246.3 Ų46.36%0.05926%0.264CS..PPolyproline II helixtrans-60.9155.8174.8-66.8179.885.400112.1I42 L186 L231 F235 W249 L257I42-M184 HydrophobicContact CG2-SD 3.81Å; M184-L186 PolarHBondContact O-N 3.27Å; M184-L231 HydrophobicContact CG-CB 3.94Å; M184-L231 HydrophobicContact CG-CD1 4.32Å; M184-F235 HydrophobicContact CE-CB 3.92Å; M184-F235 HydrophobicContact CE-CD1 3.23Å; M184-F235 HydrophobicContact CE-CD2 3.65Å; M184-F235 HydrophobicContact CE-CE1 3.5Å; M184-F235 HydrophobicContact CE-CE2 3.9Å; M184-F235 HydrophobicContact CE-CG 3.3Å; M184-F235 HydrophobicContact CE-CZ 3.81Å; M184-W249 HydrophobicContact CB-CZ2 4.28Å; M184-W249 HydrophobicContact CE-CB 4.41Å; M184-W249 HydrophobicContact CE-CD2 3.46Å; M184-W249 VanDerWaalsContact CE-CD2 3.46Å; M184-W249 HydrophobicContact CE-CE3 3.91Å; M184-W249 HydrophobicContact CE-CG 3.68Å; M184-W249 HydrophobicContact CE-CH2 4.45Å; M184-W249 HydrophobicContact CE-CZ2 4.06Å; M184-W249 HydrophobicContact CE-CZ3 4.36Å; M184-W249 HydrophobicContact SD-CD2 4.4Å; M184-W249 HydrophobicContact SD-CG 4.13Å; M184-L257 HydrophobicContact SD-CD1 4.02Å
185P96.3Very high88.4Confident10 Ų1038.5 Ų38.57%0.06522%0.222CC..PPolyproline II helixtrans-73126.5-173.827.2-30.6000112.4F235 R242 W249P185-F235 HydrophobicContact CG-CB 4.03Å; P185-R242 WeakPolarHBondContact O-CD 3.36Å; P185-R242 PolarHBondContact O-NH1 3.31Å; P185-W249 HydrophobicContact CG-CH2 4.03Å; P185-W249 HydrophobicContact CG-CZ2 3.85Å; P185-W249 WeakPolarHBondContact O-CZ2 3.44Å
186L94.5Very high86.9Confident10 Ų1037.2 Ų37.25%0.05221%0.208CC..PPolyproline II helixtrans-73148.1177.5-62.5178.6000113L143 M184 I190 L206 R207 V210 G246 V247L143-L186 HydrophobicContact CD1-CD1 3.56Å; L143-L186 HydrophobicContact CD1-CD2 3.76Å; L143-L186 HydrophobicContact CD1-CG 4.16Å; L143-L186 HydrophobicContact CD2-CD2 4.06Å; M184-L186 PolarHBondContact O-N 3.27Å; L186-I190 HydrophobicContact CB-CD1 4.42Å; L186-I190 HydrophobicContact CD1-CD1 3.79Å; L186-L206 HydrophobicContact CD1-CD2 4.38Å; L186-L206 HydrophobicContact CD1-CG 3.97Å; L186-R207 HydrophobicContact CB-CG 3.95Å; L186-R207 HydrophobicContact CD1-CG 4.5Å; L186-R207 PolarHBondContact O-NE 3.27Å; L186-R207 VanDerWaalsContact O-NE 3.16Å; L186-V210 HydrophobicContact CD1-CB 4.29Å; L186-V210 HydrophobicContact CD1-CG2 3.74Å; L186-V210 HydrophobicContact CG-CG2 4.49Å; L186-G246 WeakPolarHBondContact CA-O 3.47Å; L186-V247 HydrophobicContact CD2-CG2 4.03Å
187G91.7Very high85.3Confident4 Ų440.8 Ų40.84%0.04123%0.23CC..PPolyproline II helixtrans-71.2162.5170.500000112.8R189 R207 G246G187-R189 PolarHBondContact O-N 3.24Å; G187-R207 WeakPolarHBondContact O-CD 3Å; G187-R207 PolarHBondContact O-NE 3Å; G187-G246 PolarHBondContact N-O 3.4Å
188E86Confident83.6Confident160 Ų16046.5 Ų46.575%0.74826%0.257SS*.SBendtrans-62.4-32.4-178.6-53.6-165.2149.700113.5
189R83.2Confident81.9Confident208 Ų20847.2 Ų47.279%0.78526%0.261SS*.SBendtrans-120.4125.5177.2-62.8-176.9-177-174.60.3107.9G187G187-R189 PolarHBondContact O-N 3.24Å
190I84Confident80.3Confident22 Ų2253.4 Ų53.411%0.11329%0.289CS..  trans-105.6126.8176.1-58.2166.2000107.2L186 L195 L206 D245 V247L186-I190 HydrophobicContact CB-CD1 4.42Å; L186-I190 HydrophobicContact CD1-CD1 3.79Å; I190-L195 HydrophobicContact CB-CD1 3.61Å; I190-L195 HydrophobicContact CD1-CD1 4.41Å; I190-L195 HydrophobicContact CG2-CD1 3.5Å; I190-L195 VanDerWaalsContact CG2-CD1 3.5Å; I190-L195 HydrophobicContact CG2-CG 4.34Å; I190-L206 HydrophobicContact CD1-CB 4.38Å; I190-L206 HydrophobicContact CD1-CD2 3.71Å; I190-L206 HydrophobicContact CD1-CG 4.25Å; I190-D245 VanDerWaalsContact CA-O 3.3Å; I190-D245 WeakPolarHBondContact CA-O 3.37Å; I190-V247 HydrophobicContact CG2-CG2 3.6Å
191T78.6Confident78.7Confident76 Ų7658.8 Ų58.847%0.46633%0.325SS..  trans-134.8171.8-177.365.70000111.4D245T191-D245 PolarHBondContact N-O 3.38Å; T191-D245 WeakPolarHBondContact OG1-CA 3.45Å
192G69.4Low77.1Confident57 Ų5761.1 Ų61.159%0.58834%0.337SS*.SBendtrans86-172.5-178.800000113.1F194G192-F194 PolarHBondContact O-N 3.48Å
193G64.4Low75.7Confident49 Ų4961.5 Ų61.551%0.50534%0.343SS..THydrogen-bonded Turntrans-69.714.3-17400000115.2R148R148-G193 PolarHBondContact NH2-O 3.27Å
194F61.4Low74.6Confident13 Ų1364.4 Ų64.46%0.05737%0.373CS..THydrogen-bonded Turntrans-84.8-36.6-178.3-163.2-84.7000112.8L143 W144 S147 R148 G192 V247L143-F194 HydrophobicContact CB-CE1 4.49Å; L143-F194 HydrophobicContact CB-CZ 4.04Å; L143-F194 HydrophobicContact CD1-CE1 3.96Å; L143-F194 HydrophobicContact CD1-CZ 4.32Å; L143-F194 HydrophobicContact CD2-CD1 4.2Å; L143-F194 HydrophobicContact CD2-CD2 4.44Å; L143-F194 HydrophobicContact CD2-CE1 3.45Å; L143-F194 VanDerWaalsContact CD2-CE1 3.45Å; L143-F194 HydrophobicContact CD2-CE2 3.7Å; L143-F194 HydrophobicContact CD2-CZ 3.19Å; L143-F194 HydrophobicContact CG-CD1 4.41Å; L143-F194 HydrophobicContact CG-CE1 3.32Å; L143-F194 HydrophobicContact CG-CE2 4.2Å; L143-F194 HydrophobicContact CG-CZ 3.22Å; W144-F194 AromaticContact CD1-CE2 3.76Å; W144-F194 AromaticContact CD1-CZ 3.79Å; W144-F194 HydrophobicContact CG-CZ 4.32Å; W144-F194 AromaticContact NE1-CE2 3.47Å; W144-F194 AromaticContact NE1-CZ 3.96Å; S147-F194 WeakPolarHBondContact OG-CE1 3.36Å; R148-F194 PolarHBondContact NE-O 2.96Å; R148-F194 VanDerWaalsContact NH2-C 3.34Å; R148-F194 VanDerWaalsContact NH2-CA 3.27Å; R148-F194 PolarHBondContact NH2-O 3.42Å; G192-F194 PolarHBondContact O-N 3.48Å; F194-V247 HydrophobicContact CD1-CG2 4.29Å; F194-V247 HydrophobicContact CD2-CG1 4.27Å; F194-V247 HydrophobicContact CG-CG2 4.27Å
195L64.1Low74.1Confident13 Ų1365.2 Ų65.27%0.06838%0.38CS..SBendtrans-104.1117.2169.7-85.6151.9000107.8I190 L199 A203 L206I190-L195 HydrophobicContact CB-CD1 3.61Å; I190-L195 HydrophobicContact CD1-CD1 4.41Å; I190-L195 HydrophobicContact CG2-CD1 3.5Å; I190-L195 VanDerWaalsContact CG2-CD1 3.5Å; I190-L195 HydrophobicContact CG2-CG 4.34Å; L195-L199 HydrophobicContact CD2-CB 4.36Å; L195-A203 HydrophobicContact CD1-CB 3.51Å; L195-A203 HydrophobicContact CD2-CB 4.13Å; L195-A203 HydrophobicContact CG-CB 4.47Å; L195-L206 HydrophobicContact CD2-CD2 4.39Å
196L65.6Low73.7Confident70 Ų7064.9 Ų64.937%0.36638%0.378SS..  trans-59.8143.8170.1-66.9173.7000109R148 E198 L199 Q200R148-L196 VanDerWaalsContact NH1-CD2 3.26Å; R148-L196 VanDerWaalsContact NH1-CG 3.26Å; L196-E198 WeakPolarHBondContact CB-OE2 3.41Å; L196-E198 PolarHBondContact O-N 2.68Å; L196-L199 HydrophobicContact CB-CB 4.5Å; L196-L199 HydrophobicContact CB-CD1 4.1Å; L196-L199 HydrophobicContact CB-CG 4.19Å; L196-L199 HydrophobicContact CD1-CD1 4.14Å; L196-L199 HydrophobicContact CG-CD1 4.44Å; L196-L199 WeakPolarHBondContact O-CA 3.32Å; L196-L199 PolarHBondContact O-N 3.06Å; L196-Q200 PolarHBondContact O-N 2.97Å
197P64.4Low73.6Confident93 Ų9369.6 Ų69.660%0.60440%0.395SS*.G310 helixtrans-49.7-36.1179.5-28.735.8000113.5L199 Q200P197-L199 PolarHBondContact O-N 3.15Å; P197-Q200 WeakPolarHBondContact O-CB 3.45Å; P197-Q200 WeakPolarHBondContact O-CG 3.28Å; P197-Q200 PolarHBondContact O-N 3.18Å
198E62.8Low73.7Confident143 Ų14377.9 Ų77.967%0.66843%0.425SS*.G310 helixtrans-70.8-18.3-180-55.275.9-162.100113.1L196L196-E198 WeakPolarHBondContact CB-OE2 3.41Å; L196-E198 PolarHBondContact O-N 2.68Å
199L63.9Low74Confident25 Ų2571.9 Ų71.913%0.13140%0.398CS..G310 helixtrans-1061.6-177.5-55.4177000112.4S147 L195 L196 P197 P201 L202S147-L199 WeakPolarHBondContact O-CD1 3.3Å; L195-L199 HydrophobicContact CD2-CB 4.36Å; L196-L199 HydrophobicContact CB-CB 4.5Å; L196-L199 HydrophobicContact CB-CD1 4.1Å; L196-L199 HydrophobicContact CB-CG 4.19Å; L196-L199 HydrophobicContact CD1-CD1 4.14Å; L196-L199 HydrophobicContact CG-CD1 4.44Å; L196-L199 WeakPolarHBondContact O-CA 3.32Å; L196-L199 PolarHBondContact O-N 3.06Å; P197-L199 PolarHBondContact O-N 3.15Å; L199-P201 VanDerWaalsContact C-N 3.27Å; L199-L202 HydrophobicContact CD2-CD1 4.01Å; L199-L202 WeakPolarHBondContact O-CB 3.23Å; L199-L202 PolarHBondContact O-N 2.61Å
200Q65Low74.7Confident129 Ų12962 Ų6260%0.60336%0.361SS*.G310 helixtrans-49.2-37.9172.3-75-116.18.600114.3L196 P197 L202 A203L196-Q200 PolarHBondContact O-N 2.97Å; P197-Q200 WeakPolarHBondContact O-CB 3.45Å; P197-Q200 WeakPolarHBondContact O-CG 3.28Å; P197-Q200 PolarHBondContact O-N 3.18Å; Q200-L202 PolarHBondContact O-N 2.61Å; Q200-A203 WeakPolarHBondContact O-CB 3.48Å; Q200-A203 PolarHBondContact O-N 3.24Å; Q200-A203 VanDerWaalsContact O-N 3.08Å
201P65.4Low75.3Confident115 Ų11564.7 Ų64.775%0.74738%0.378SS*.G310 helixtrans-61.7-26.8176.5-24.735.9000114.1L199L199-P201 VanDerWaalsContact C-N 3.27Å
202L65.3Low76.2Confident49 Ų4965 Ų6526%0.25737%0.374SS..G310 helixtrans-81.7-15.5177.9-62.5169.3000112.5L199 Q200 G204 S205 L206L199-L202 HydrophobicContact CD2-CD1 4.01Å; L199-L202 WeakPolarHBondContact O-CB 3.23Å; L199-L202 PolarHBondContact O-N 2.61Å; Q200-L202 PolarHBondContact O-N 2.61Å; L202-G204 PolarHBondContact O-N 3.3Å; L202-G204 VanDerWaalsContact O-N 3.11Å; L202-S205 PolarHBondContact O-N 3.24Å; L202-S205 VanDerWaalsContact O-N 3.13Å; L202-S205 PolarHBondContact O-OG 3.27Å; L202-L206 PolarHBondContact O-N 3.13Å; L202-L206 VanDerWaalsContact O-N 3.14Å
203A69.3Low77.6Confident26 Ų2662.2 Ų62.222%0.21535%0.346CS..Hα-helixtrans-58.1-29.5179.100000112.7L195 Q200 S205L195-A203 HydrophobicContact CD1-CB 3.51Å; L195-A203 HydrophobicContact CD2-CB 4.13Å; L195-A203 HydrophobicContact CG-CB 4.47Å; Q200-A203 WeakPolarHBondContact O-CB 3.48Å; Q200-A203 PolarHBondContact O-N 3.24Å; Q200-A203 VanDerWaalsContact O-N 3.08Å; A203-S205 PolarHBondContact O-N 2.6Å
204G74.1Confident79.2Confident68 Ų6860.1 Ų60.170%0.70132%0.323SS*.Hα-helixtrans-70.2-25.2-179.600000114.5L202L202-G204 PolarHBondContact O-N 3.3Å; L202-G204 VanDerWaalsContact O-N 3.11Å
205S86.1Confident81Confident29 Ų2966.7 Ų66.720%0.20335%0.352CS..Hα-helixtrans-99.9-23.2175.462.20000113.1L202 A203 R207 R208 D209L202-S205 PolarHBondContact O-N 3.24Å; L202-S205 VanDerWaalsContact O-N 3.13Å; L202-S205 PolarHBondContact O-OG 3.27Å; A203-S205 PolarHBondContact O-N 2.6Å; S205-R207 PolarHBondContact O-N 3.3Å; S205-R208 WeakPolarHBondContact O-CA 3.24Å; S205-R208 WeakPolarHBondContact O-CB 3.37Å; S205-R208 PolarHBondContact O-N 3.34Å; S205-D209 VanDerWaalsContact C-OD2 3.26Å; S205-D209 VanDerWaalsContact CB-OD2 3.28Å; S205-D209 WeakPolarHBondContact CB-OD2 3.25Å; S205-D209 PolarHBondContact O-N 3.5Å; S205-D209 PolarHBondContact OG-OD2 3.22Å
206L89.1Confident82.6Confident4 Ų469.1 Ų69.12%0.02136%0.361CS..Hα-helixtrans-50.9-35.3-168.4-173.958000114.9L143 L146 L186 I190 L195 L202 D209 V210L143-L206 HydrophobicContact CD1-CD1 4.43Å; L143-L206 HydrophobicContact CD1-CD2 4.14Å; L143-L206 HydrophobicContact CD1-CG 4.33Å; L146-L206 HydrophobicContact CB-CD1 3.79Å; L186-L206 HydrophobicContact CD1-CD2 4.38Å; L186-L206 HydrophobicContact CD1-CG 3.97Å; I190-L206 HydrophobicContact CD1-CB 4.38Å; I190-L206 HydrophobicContact CD1-CD2 3.71Å; I190-L206 HydrophobicContact CD1-CG 4.25Å; L195-L206 HydrophobicContact CD2-CD2 4.39Å; L202-L206 PolarHBondContact O-N 3.13Å; L202-L206 VanDerWaalsContact O-N 3.14Å; L206-D209 PolarHBondContact N-OD2 3.41Å; L206-D209 PolarHBondContact O-N 3.02Å; L206-V210 HydrophobicContact CD1-CG2 4.31Å; L206-V210 WeakPolarHBondContact O-CB 3.25Å; L206-V210 WeakPolarHBondContact O-CG2 3.36Å; L206-V210 PolarHBondContact O-N 2.81Å
207R91.7Very high84.2Confident108 Ų10865.8 Ų65.841%0.40834%0.343SS..Hα-helixtrans-62.1-43.1174.6-62.1179.671.8-156.6-1.8112.6L186 G187 S205 V211L186-R207 HydrophobicContact CB-CG 3.95Å; L186-R207 HydrophobicContact CD1-CG 4.5Å; L186-R207 PolarHBondContact O-NE 3.27Å; L186-R207 VanDerWaalsContact O-NE 3.16Å; G187-R207 WeakPolarHBondContact O-CD 3Å; G187-R207 PolarHBondContact O-NE 3Å; S205-R207 PolarHBondContact O-N 3.3Å; R207-V211 WeakPolarHBondContact O-CG2 3.37Å; R207-V211 PolarHBondContact O-N 3.22Å
208R93Very high85.8Confident178 Ų17862.2 Ų62.267%0.67232%0.321SS*.Hα-helixtrans-69.7-42.7176-66-175-68.5-161.3-2.7110.2S205 V210 V211 E212S205-R208 WeakPolarHBondContact O-CA 3.24Å; S205-R208 WeakPolarHBondContact O-CB 3.37Å; S205-R208 PolarHBondContact O-N 3.34Å; R208-V210 VanDerWaalsContact C-N 3.28Å; R208-V210 PolarHBondContact O-N 3.21Å; R208-V211 WeakPolarHBondContact O-CB 3.27Å; R208-V211 PolarHBondContact O-N 2.99Å; R208-E212 PolarHBondContact O-N 3.05Å
209D94.1Very high87.5Confident35 Ų3558.7 Ų58.719%0.18731%0.31CS..Hα-helixtrans-61.4-38.6179.5-52.1-20.8000110.7L146 M154 S205 L206 E212 G213L146-D209 VanDerWaalsContact CD1-C 3.5Å; L146-D209 HydrophobicContact CD1-CB 4.07Å; L146-D209 WeakPolarHBondContact CD1-O 3.13Å; M154-D209 HydrophobicContact CE-CB 4.15Å; M154-D209 WeakPolarHBondContact CE-O 3.48Å; S205-D209 VanDerWaalsContact C-OD2 3.26Å; S205-D209 VanDerWaalsContact CB-OD2 3.28Å; S205-D209 WeakPolarHBondContact CB-OD2 3.25Å; S205-D209 PolarHBondContact O-N 3.5Å; S205-D209 PolarHBondContact OG-OD2 3.22Å; L206-D209 PolarHBondContact N-OD2 3.41Å; L206-D209 PolarHBondContact O-N 3.02Å; D209-E212 PolarHBondContact O-N 2.91Å; D209-G213 PolarHBondContact O-N 3.11Å
210V96.1Very high89.1Confident1 Ų158 Ų581%0.00631%0.306CS..Hα-helixtrans-65.4-38.9173.5164.90000112.5L143 L146 A183 L186 L206 R208 E212 G213 N214L143-V210 HydrophobicContact CD1-CG2 3.85Å; L146-V210 HydrophobicContact CD1-CG2 4.01Å; A183-V210 HydrophobicContact CB-CG1 3.91Å; L186-V210 HydrophobicContact CD1-CB 4.29Å; L186-V210 HydrophobicContact CD1-CG2 3.74Å; L186-V210 HydrophobicContact CG-CG2 4.49Å; L206-V210 HydrophobicContact CD1-CG2 4.31Å; L206-V210 WeakPolarHBondContact O-CB 3.25Å; L206-V210 WeakPolarHBondContact O-CG2 3.36Å; L206-V210 PolarHBondContact O-N 2.81Å; R208-V210 VanDerWaalsContact C-N 3.28Å; R208-V210 PolarHBondContact O-N 3.21Å; V210-E212 VanDerWaalsContact C-N 3.34Å; V210-G213 PolarHBondContact O-N 2.93Å; V210-N214 VanDerWaalsContact O-CB 3.22Å; V210-N214 WeakPolarHBondContact O-CB 3.32Å; V210-N214 VanDerWaalsContact O-CG 3.23Å; V210-N214 PolarHBondContact O-N 3.35Å
211V97.3Very high90.7Very high77 Ų7751.9 Ų51.947%0.46728%0.277SS..Hα-helixtrans-63.9-43.9175.5172.50000110.5R207 R208 F215R207-V211 WeakPolarHBondContact O-CG2 3.37Å; R207-V211 PolarHBondContact O-N 3.22Å; R208-V211 WeakPolarHBondContact O-CB 3.27Å; R208-V211 PolarHBondContact O-N 2.99Å; V211-F215 PolarHBondContact O-N 2.68Å
212E97.8Very high92.2Very high82 Ų8248.5 Ų48.538%0.38326%0.263SS..Hα-helixtrans-64.6-45176.6-174.2-17914400112M154 R158 R208 D209 V210 F215 Y216M154-E212 HydrophobicContact CE-CB 4.06Å; M154-E212 HydrophobicContact CE-CG 4.15Å; R158-E212 IonicContact CZ-OE1 2.82Å; R158-E212 IonicContact NH2-OE1 3.89Å; R158-E212 PolarHBondContact NH2-OE1 3.3Å; R208-E212 PolarHBondContact O-N 3.05Å; D209-E212 PolarHBondContact O-N 2.91Å; V210-E212 VanDerWaalsContact C-N 3.34Å; E212-F215 PolarHBondContact O-N 3.44Å; E212-Y216 PolarHBondContact O-N 3.38Å
213G98.3Very high93.7Very high0 Ų052 Ų520%028%0.283CS..Hα-helixtrans-64.3-39.5177.300000112.8D209 V210 S217D209-G213 PolarHBondContact O-N 3.11Å; V210-G213 PolarHBondContact O-N 2.93Å; G213-S217 VanDerWaalsContact O-CB 3.31Å; G213-S217 WeakPolarHBondContact O-CB 3.42Å; G213-S217 PolarHBondContact O-N 2.63Å; G213-S217 PolarHBondContact O-OG 3.31Å
214N98.6Very high95.1Very high4 Ų452.6 Ų52.62%0.02128%0.281CS..Hα-helixtrans-61.8-46.7172.2-82.6-13.2000111.3M182 A183 V210 Y216 S217 A218 H232M182-N214 HydrophobicContact CB-CB 4.34Å; M182-N214 HydrophobicContact CG-CB 4.35Å; M182-N214 HydrophobicContact SD-CB 3.84Å; A183-N214 PolarHBondContact N-OD1 2.82Å; A183-N214 PolarHBondContact O-ND2 3.29Å; V210-N214 VanDerWaalsContact O-CB 3.22Å; V210-N214 WeakPolarHBondContact O-CB 3.32Å; V210-N214 VanDerWaalsContact O-CG 3.23Å; V210-N214 PolarHBondContact O-N 3.35Å; N214-Y216 PolarHBondContact O-N 2.99Å; N214-S217 PolarHBondContact O-OG 3.4Å; N214-A218 WeakPolarHBondContact O-CB 3.49Å; N214-A218 PolarHBondContact O-N 2.59Å; N214-H232 PolarHBondContact ND2-ND1 3.03Å
215F98.4Very high96.2Very high152 Ų15254.8 Ų54.867%0.66728%0.284SS*.Hα-helixtrans-60.8-46.8178.1177.8-96.7000112.1V211 E212 T219V211-F215 PolarHBondContact O-N 2.68Å; E212-F215 PolarHBondContact O-N 3.44Å; F215-T219 WeakPolarHBondContact O-CB 3.43Å; F215-T219 PolarHBondContact O-N 3.25Å; F215-T219 PolarHBondContact O-OG1 3.14Å
216Y98.6Very high96.7Very high64 Ų6454.7 Ų54.725%0.25128%0.28SS..Hα-helixtrans-61.9-53.3178.4-174.1-84.3000111.3R158 L161 E162 E212 N214 A218 T219 L220R158-Y216 HydrophobicContact CB-CD1 4.35Å; R158-Y216 HydrophobicContact CB-CE1 3.82Å; R158-Y216 HydrophobicContact CB-CE2 4.3Å; R158-Y216 HydrophobicContact CG-CD1 3.84Å; R158-Y216 HydrophobicContact CG-CD2 3.98Å; R158-Y216 HydrophobicContact CG-CE1 3.79Å; R158-Y216 HydrophobicContact CG-CE2 3.91Å; R158-Y216 HydrophobicContact CG-CG 3.95Å; L161-Y216 HydrophobicContact CB-CE1 4.43Å; L161-Y216 HydrophobicContact CD1-CD1 3.68Å; L161-Y216 HydrophobicContact CD1-CE1 4.11Å; E162-Y216 PolarHBondContact OE1-OH 2.92Å; E212-Y216 PolarHBondContact O-N 3.38Å; N214-Y216 PolarHBondContact O-N 2.99Å; Y216-A218 VanDerWaalsContact C-N 3.31Å; Y216-A218 PolarHBondContact O-N 2.87Å; Y216-T219 PolarHBondContact O-N 3.13Å; Y216-L220 HydrophobicContact CE1-CD2 4.17Å; Y216-L220 PolarHBondContact O-N 3.13Å
217S98.6Very high97.2Very high0 Ų057 Ų570%029%0.292CS..Hα-helixtrans-63.1-36-177.658.70000112.8W180 G213 N214 A221W180-S217 VanDerWaalsContact NE1-CB 3.34Å; W180-S217 PolarHBondContact NE1-OG 2.98Å; G213-S217 VanDerWaalsContact O-CB 3.31Å; G213-S217 WeakPolarHBondContact O-CB 3.42Å; G213-S217 PolarHBondContact O-N 2.63Å; G213-S217 PolarHBondContact O-OG 3.31Å; N214-S217 PolarHBondContact O-OG 3.4Å; S217-A221 VanDerWaalsContact O-CB 3.27Å; S217-A221 WeakPolarHBondContact O-CB 3.3Å; S217-A221 PolarHBondContact O-N 3.37Å
218A98.4Very high97.5Very high17 Ų1754 Ų5414%0.1429%0.286CS..Hα-helixtrans-66.9-41.3175.300000113.1M182 N214 Y216 A221 G222 V228M182-A218 HydrophobicContact CE-CB 3.23Å; M182-A218 HydrophobicContact SD-CB 4.1Å; N214-A218 WeakPolarHBondContact O-CB 3.49Å; N214-A218 PolarHBondContact O-N 2.59Å; Y216-A218 VanDerWaalsContact C-N 3.31Å; Y216-A218 PolarHBondContact O-N 2.87Å; A218-A221 PolarHBondContact O-N 3.28Å; A218-G222 PolarHBondContact O-N 2.7Å; A218-G222 VanDerWaalsContact O-N 3.1Å; A218-V228 HydrophobicContact CB-CG1 4.08Å
219T98.3Very high97.8Very high69 Ų6946 Ų4642%0.42326%0.256SS..Hα-helixtrans-62.4-49.6176.5-56.10000109.6F215 Y216 A221 G222 D223F215-T219 WeakPolarHBondContact O-CB 3.43Å; F215-T219 PolarHBondContact O-N 3.25Å; F215-T219 PolarHBondContact O-OG1 3.14Å; Y216-T219 PolarHBondContact O-N 3.13Å; T219-A221 VanDerWaalsContact C-N 3.29Å; T219-A221 PolarHBondContact O-N 3.49Å; T219-G222 WeakPolarHBondContact O-CA 3.44Å; T219-G222 PolarHBondContact O-N 2.96Å; T219-G222 VanDerWaalsContact O-N 3.12Å; T219-D223 PolarHBondContact O-N 3.06Å
220L98.5Very high98Very high11 Ų1146.9 Ų46.96%0.05826%0.261CS..Hα-helixtrans-63.6-35.9179.3-169.667.3000112.1L161 E162 F165 Y216 G222 D223 H224L161-L220 HydrophobicContact CB-CD2 3.81Å; E162-L220 HydrophobicContact CG-CD2 4.39Å; E162-L220 WeakPolarHBondContact OE1-CD1 3.46Å; E162-L220 WeakPolarHBondContact OE2-CD1 3.32Å; F165-L220 HydrophobicContact CD2-CB 4.13Å; F165-L220 HydrophobicContact CD2-CD2 3.7Å; F165-L220 HydrophobicContact CD2-CG 3.61Å; F165-L220 HydrophobicContact CE2-CB 3.95Å; F165-L220 HydrophobicContact CE2-CD2 3.99Å; F165-L220 HydrophobicContact CE2-CG 3.94Å; F165-L220 HydrophobicContact CG-CD2 4.33Å; Y216-L220 HydrophobicContact CE1-CD2 4.17Å; Y216-L220 PolarHBondContact O-N 3.13Å; L220-G222 VanDerWaalsContact C-N 3.28Å; L220-G222 PolarHBondContact O-N 2.88Å; L220-D223 PolarHBondContact O-N 2.93Å; L220-D223 VanDerWaalsContact O-N 3.17Å; L220-H224 PolarHBondContact O-CD2 2.71Å; L220-H224 VanDerWaalsContact O-CD2 3.31Å; L220-H224 PolarHBondContact O-N 2.89Å
221A98.3Very high98Very high0 Ų046.8 Ų46.80%026%0.261CS..Hα-helixtrans-63.6-4017700000110.3F165 W180 S217 A218 T219 H224 C225 F226 V228F165-A221 VanDerWaalsContact CE2-CA 3.47Å; F165-A221 HydrophobicContact CE2-CB 3.73Å; F165-A221 VanDerWaalsContact CE2-N 3.32Å; F165-A221 HydrophobicContact CZ-CB 4.2Å; W180-A221 HydrophobicContact CB-CB 4.11Å; W180-A221 HydrophobicContact CG-CB 4.28Å; S217-A221 VanDerWaalsContact O-CB 3.27Å; S217-A221 WeakPolarHBondContact O-CB 3.3Å; S217-A221 PolarHBondContact O-N 3.37Å; A218-A221 PolarHBondContact O-N 3.28Å; T219-A221 VanDerWaalsContact C-N 3.29Å; T219-A221 PolarHBondContact O-N 3.49Å; A221-H224 CarbonylContact O-C 3.51Å; A221-H224 PolarHBondContact O-N 2.97Å; A221-C225 PolarHBondContact O-N 2.79Å; A221-C225 VanDerWaalsContact O-N 3.15Å; A221-F226 HydrophobicContact CB-CB 4.2Å; A221-F226 PolarHBondContact O-N 2.84Å; A221-V228 HydrophobicContact CB-CG2 3.52Å
222G96.8Very high98.1Very high44 Ų4445.2 Ų45.245%0.45425%0.248SC..Hα-helixtrans-62-39.2172.600000113.5A218 T219 L220 H224 C225A218-G222 PolarHBondContact O-N 2.7Å; A218-G222 VanDerWaalsContact O-N 3.1Å; T219-G222 WeakPolarHBondContact O-CA 3.44Å; T219-G222 PolarHBondContact O-N 2.96Å; T219-G222 VanDerWaalsContact O-N 3.12Å; L220-G222 VanDerWaalsContact C-N 3.28Å; L220-G222 PolarHBondContact O-N 2.88Å; G222-H224 PolarHBondContact O-N 2.92Å; G222-C225 PolarHBondContact O-N 2.83Å
223D97.6Very high98Very high123 Ų12345.9 Ų45.966%0.65825%0.25SS*.Hα-helixtrans-63.8-28176.4-67.4-25.6000112.5T219 L220T219-D223 PolarHBondContact O-N 3.06Å; L220-D223 PolarHBondContact O-N 2.93Å; L220-D223 VanDerWaalsContact O-N 3.17Å
224H97.6Very high98Very high38 Ų3849.5 Ų49.518%0.17627%0.267CS..THydrogen-bonded Turntrans-93.27173.7-75.8-93.3000113.7F165 D169 L220 A221 G222 F226F165-H224 AromaticContact CD2-CD2 3.96Å; D169-H224 IonicContact OD2-CE1 2.94Å; D169-H224 PolarHBondContact OD2-CE1 3.27Å; D169-H224 IonicContact OD2-CG 3.41Å; D169-H224 IonicContact OD2-ND1 3.18Å; D169-H224 PolarHBondContact OD2-ND1 2.81Å; L220-H224 PolarHBondContact O-CD2 2.71Å; L220-H224 VanDerWaalsContact O-CD2 3.31Å; L220-H224 PolarHBondContact O-N 2.89Å; A221-H224 CarbonylContact O-C 3.51Å; A221-H224 PolarHBondContact O-N 2.97Å; G222-H224 PolarHBondContact O-N 2.92Å; H224-F226 HydrophobicContact CB-CD1 4.48Å; H224-F226 HydrophobicContact CB-CD2 3.73Å; H224-F226 HydrophobicContact CB-CE1 4.4Å; H224-F226 HydrophobicContact CB-CE2 3.66Å; H224-F226 HydrophobicContact CB-CG 4.16Å; H224-F226 HydrophobicContact CB-CZ 4.01Å; H224-F226 PolarHBondContact O-N 2.76Å
225C96.6Very high97.9Very high115 Ų11549.4 Ų49.478%0.77727%0.266SS*.THydrogen-bonded Turntrans56.226.3-176.1-59.90000114.3A221 G222A221-C225 PolarHBondContact O-N 2.79Å; A221-C225 VanDerWaalsContact O-N 3.15Å; G222-C225 PolarHBondContact O-N 2.83Å
226F98.3Very high97.8Very high26 Ų2647.1 Ų47.111%0.11425%0.253CS..  trans-82.1145.7171.8-61.1-30.1000111.1F165 M168 D169 L178 A221 H224F165-F226 HydrophobicContact CB-CE2 3.88Å; F165-F226 HydrophobicContact CD1-CD2 4.5Å; F165-F226 HydrophobicContact CD1-CE2 4.22Å; F165-F226 HydrophobicContact CD2-CD2 4.2Å; F165-F226 HydrophobicContact CD2-CE2 4.28Å; F165-F226 HydrophobicContact CG-CD2 4.2Å; F165-F226 AromaticContact CG-CE2 3.88Å; F165-F226 HydrophobicContact CG-CE2 3.88Å; M168-F226 HydrophobicContact CB-CE2 4.19Å; M168-F226 HydrophobicContact CB-CZ 3.86Å; D169-F226 WeakPolarHBondContact OD1-CE1 3.38Å; D169-F226 WeakPolarHBondContact OD1-CZ 3.24Å; L178-F226 HydrophobicContact CB-CD1 4.01Å; L178-F226 HydrophobicContact CB-CE1 4.44Å; L178-F226 HydrophobicContact CB-CG 4.32Å; L178-F226 HydrophobicContact CD1-CD1 4.4Å; L178-F226 HydrophobicContact CD1-CD2 4.3Å; L178-F226 HydrophobicContact CD1-CE1 4.31Å; L178-F226 HydrophobicContact CD1-CE2 4.19Å; L178-F226 HydrophobicContact CD1-CG 4.41Å; L178-F226 HydrophobicContact CD1-CZ 4.2Å; L178-F226 HydrophobicContact CD2-CB 3.77Å; L178-F226 HydrophobicContact CD2-CD1 4.28Å; L178-F226 HydrophobicContact CD2-CD2 3.87Å; L178-F226 HydrophobicContact CD2-CG 3.72Å; L178-F226 HydrophobicContact CG-CD1 4.45Å; L178-F226 HydrophobicContact CG-CG 4.36Å; A221-F226 HydrophobicContact CB-CB 4.2Å; A221-F226 PolarHBondContact O-N 2.84Å; H224-F226 HydrophobicContact CB-CD1 4.48Å; H224-F226 HydrophobicContact CB-CD2 3.73Å; H224-F226 HydrophobicContact CB-CE1 4.4Å; H224-F226 HydrophobicContact CB-CE2 3.66Å; H224-F226 HydrophobicContact CB-CG 4.16Å; H224-F226 HydrophobicContact CB-CZ 4.01Å; H224-F226 PolarHBondContact O-N 2.76Å
227D98.6Very high97.6Very high52 Ų5250.9 Ų50.928%0.27827%0.273SS..EExtended strand (participates in β ladder)trans-72143.8177.4-80.911.8000110.4L177 L178 V179 W180 H264L177-D227 HydrophobicContact CD1-CB 4.37Å; L177-D227 WeakPolarHBondContact CD1-OD2 3.44Å; L178-D227 WeakPolarHBondContact O-CB 3.41Å; L178-D227 PolarHBondContact O-N 2.94Å; L178-D227 VanDerWaalsContact O-N 3.07Å; V179-D227 CarbonylContact C-O 3.56Å; V179-D227 WeakPolarHBondContact CA-O 3.5Å; V179-D227 HydrophobicContact CG2-CB 4.27Å; W180-D227 PolarHBondContact N-O 3.3Å; D227-H264 WeakPolarHBondContact CB-NE2 3.04Å; D227-H264 IonicContact OD2-CD2 3.6Å; D227-H264 IonicContact OD2-CE1 3.48Å; D227-H264 PolarHBondContact OD2-CE1 3.39Å; D227-H264 IonicContact OD2-NE2 2.69Å; D227-H264 PolarHBondContact OD2-NE2 3.31Å
228V98.6Very high97.4Very high46 Ų4651.7 Ų51.728%0.27928%0.279SS..EExtended strand (participates in β ladder)trans-123.7124.2-178.11780000110.1W180 M182 A218 A221W180-V228 HydrophobicContact CB-CG2 4.48Å; W180-V228 WeakPolarHBondContact O-CA 3.47Å; M182-V228 HydrophobicContact CE-CG1 3.48Å; M182-V228 VanDerWaalsContact CE-CG1 3.48Å; M182-V228 HydrophobicContact CG-CG1 4.19Å; A218-V228 HydrophobicContact CB-CG1 4.08Å; A221-V228 HydrophobicContact CB-CG2 3.52Å
229L98.3Very high97Very high9 Ų954.4 Ų54.45%0.04729%0.294CS..EExtended strand (participates in β ladder)trans-106.4110171.4-174.362.3000110.2V179 W180 N181 M182 L231 L260 L261V179-L229 HydrophobicContact CG1-CB 4.01Å; W180-L229 PolarHBondContact O-N 2.7Å; N181-L229 WeakPolarHBondContact OD1-CB 3.43Å; M182-L229 PolarHBondContact N-O 3.05Å; L229-L231 VanDerWaalsContact C-N 3.3Å; L229-L231 HydrophobicContact CD2-CD2 3.67Å; L229-L231 HydrophobicContact CD2-CG 4.49Å; L229-L231 HydrophobicContact CG-CD2 3.77Å; L229-L231 HydrophobicContact CG-CG 4.35Å; L229-L231 PolarHBondContact O-N 3.29Å; L229-L260 HydrophobicContact CD2-CB 4.34Å; L229-L261 HydrophobicContact CD2-CB 4.09Å; L229-L261 HydrophobicContact CD2-CD1 4.04Å
230D97.9Very high96.9Very high54 Ų5457.7 Ų57.729%0.28931%0.305SS..  trans-78.774.3-177.9-168.1-13.3000112.3M182 H232 F233 H234M182-D230 HydrophobicContact CE-CB 3.87Å; M182-D230 HydrophobicContact SD-CB 4.24Å; D230-H232 PolarHBondContact O-N 2.94Å; D230-H232 WeakPolarHBondContact OD1-CA 3.28Å; D230-H232 VanDerWaalsContact OD1-CB 3.31Å; D230-H232 WeakPolarHBondContact OD1-CB 3.31Å; D230-H232 PolarHBondContact OD1-N 3.34Å; D230-H232 VanDerWaalsContact OD1-N 3.11Å; D230-F233 HydrophobicContact CB-CB 4.04Å; D230-F233 PolarHBondContact O-N 2.69Å; D230-F233 WeakPolarHBondContact OD1-CB 3.46Å; D230-F233 PolarHBondContact OD1-N 3.09Å; D230-F233 VanDerWaalsContact OD2-CB 3.29Å; D230-F233 WeakPolarHBondContact OD2-CB 3.08Å; D230-H234 PolarHBondContact O-CD2 3.25Å; D230-H234 PolarHBondContact O-N 2.63Å
231L97.9Very high96.8Very high0 Ų059.6 Ų59.60%031%0.313CS..Hα-helixtrans-63.2-22.6174.9-55.4-178.5000112.3N181 M182 M184 L229 F235 L257N181-L231 HydrophobicContact CB-CD1 3.83Å; N181-L231 HydrophobicContact CB-CG 4.42Å; M182-L231 WeakPolarHBondContact O-CB 3.13Å; M184-L231 HydrophobicContact CG-CB 3.94Å; M184-L231 HydrophobicContact CG-CD1 4.32Å; L229-L231 VanDerWaalsContact C-N 3.3Å; L229-L231 HydrophobicContact CD2-CD2 3.67Å; L229-L231 HydrophobicContact CD2-CG 4.49Å; L229-L231 HydrophobicContact CG-CD2 3.77Å; L229-L231 HydrophobicContact CG-CG 4.35Å; L229-L231 PolarHBondContact O-N 3.29Å; L231-F235 HydrophobicContact CB-CD2 4.34Å; L231-F235 HydrophobicContact CD2-CE2 4.12Å; L231-F235 WeakPolarHBondContact O-CB 3.44Å; L231-F235 VanDerWaalsContact O-CD2 3.29Å; L231-F235 WeakPolarHBondContact O-CD2 3.38Å; L231-F235 PolarHBondContact O-N 3.13Å; L231-L257 HydrophobicContact CD1-CD1 3.73Å; L231-L257 HydrophobicContact CD1-CD2 4.4Å; L231-L257 HydrophobicContact CD1-CG 3.98Å; L231-L257 HydrophobicContact CD2-CD1 4.43Å; L231-L257 HydrophobicContact CD2-CD2 4.44Å; L231-L257 HydrophobicContact CD2-CG 3.86Å
232H97.7Very high96.7Very high43 Ų4361.6 Ų61.620%0.19932%0.321CS..Hα-helixtrans-64.5-49.5175.2-160.299.2000110.2A183 N214 D230 R236A183-H232 WeakPolarHBondContact O-CB 3.2Å; A183-H232 PolarHBondContact O-ND1 3.28Å; N214-H232 PolarHBondContact ND2-ND1 3.03Å; D230-H232 PolarHBondContact O-N 2.94Å; D230-H232 WeakPolarHBondContact OD1-CA 3.28Å; D230-H232 VanDerWaalsContact OD1-CB 3.31Å; D230-H232 WeakPolarHBondContact OD1-CB 3.31Å; D230-H232 PolarHBondContact OD1-N 3.34Å; D230-H232 VanDerWaalsContact OD1-N 3.11Å; H232-R236 WeakPolarHBondContact O-CB 3.09Å; H232-R236 PolarHBondContact O-N 3.31Å; H232-R236 VanDerWaalsContact O-N 3.14Å
233F97.1Very high96.6Very high97 Ų9763.1 Ų63.143%0.42532%0.316SS..Hα-helixtrans-59.7-56.3175.1176.7-94.8000110.6D230 F235 R236D230-F233 HydrophobicContact CB-CB 4.04Å; D230-F233 PolarHBondContact O-N 2.69Å; D230-F233 WeakPolarHBondContact OD1-CB 3.46Å; D230-F233 PolarHBondContact OD1-N 3.09Å; D230-F233 VanDerWaalsContact OD2-CB 3.29Å; D230-F233 WeakPolarHBondContact OD2-CB 3.08Å; F233-F235 PolarHBondContact O-N 2.98Å; F233-F235 VanDerWaalsContact O-N 3.1Å; F233-R236 VanDerWaalsContact CD1-NH1 3.3Å; F233-R236 VanDerWaalsContact CE1-NH1 3.3Å; F233-R236 VanDerWaalsContact CE2-NH2 3.28Å; F233-R236 WeakPolarHBondContact O-CD 2.94Å; F233-R236 VanDerWaalsContact O-CG 3.25Å; F233-R236 WeakPolarHBondContact O-CG 3.2Å; F233-R236 PolarHBondContact O-N 3.36Å; F233-R236 PolarHBondContact O-NH1 2.9Å
234H96.9Very high96.3Very high76 Ų7669.1 Ų69.135%0.35233%0.329SS..Hα-helixtrans-57-33.2-173.7-76.8-74.2000113.4D230 L260D230-H234 PolarHBondContact O-CD2 3.25Å; D230-H234 PolarHBondContact O-N 2.63Å; H234-L260 HydrophobicContact CB-CD1 3.67Å
235F97.2Very high96Very high2 Ų269.2 Ų69.21%0.00933%0.331CS..Hα-helixtrans-103.81.3-174.8-69.9-93.2000115M184 P185 L231 F233 H237 A238 W249 A253 H256 L257 L260M184-F235 HydrophobicContact CE-CB 3.92Å; M184-F235 HydrophobicContact CE-CD1 3.23Å; M184-F235 HydrophobicContact CE-CD2 3.65Å; M184-F235 HydrophobicContact CE-CE1 3.5Å; M184-F235 HydrophobicContact CE-CE2 3.9Å; M184-F235 HydrophobicContact CE-CG 3.3Å; M184-F235 HydrophobicContact CE-CZ 3.81Å; P185-F235 HydrophobicContact CG-CB 4.03Å; L231-F235 HydrophobicContact CB-CD2 4.34Å; L231-F235 HydrophobicContact CD2-CE2 4.12Å; L231-F235 WeakPolarHBondContact O-CB 3.44Å; L231-F235 VanDerWaalsContact O-CD2 3.29Å; L231-F235 WeakPolarHBondContact O-CD2 3.38Å; L231-F235 PolarHBondContact O-N 3.13Å; F233-F235 PolarHBondContact O-N 2.98Å; F233-F235 VanDerWaalsContact O-N 3.1Å; F235-H237 PolarHBondContact O-N 2.82Å; F235-A238 HydrophobicContact CB-CB 4.47Å; F235-A238 HydrophobicContact CD1-CB 4.05Å; F235-A238 PolarHBondContact O-N 2.57Å; F235-W249 HydrophobicContact CB-CH2 3.77Å; F235-W249 HydrophobicContact CB-CZ2 4.24Å; F235-W249 HydrophobicContact CB-CZ3 4.16Å; F235-W249 HydrophobicContact CD1-CE3 4.17Å; F235-W249 HydrophobicContact CD1-CH2 4.37Å; F235-W249 AromaticContact CD1-CZ3 3.92Å; F235-W249 HydrophobicContact CD1-CZ3 3.92Å; F235-A253 HydrophobicContact CD1-CB 4.3Å; F235-A253 HydrophobicContact CE1-CB 3.78Å; F235-A253 WeakPolarHBondContact CE1-O 3.41Å; F235-A253 WeakPolarHBondContact CZ-O 3.4Å; F235-H256 HydrophobicContact CE1-CB 4.37Å; F235-H256 AromaticContact CE1-CD2 3.88Å; F235-H256 HydrophobicContact CZ-CB 4.21Å; F235-H256 AromaticContact CZ-CD2 3.57Å; F235-L257 HydrophobicContact CE2-CB 4.2Å; F235-L257 HydrophobicContact CE2-CG 4.5Å; F235-L257 HydrophobicContact CZ-CB 3.82Å; F235-L260 HydrophobicContact CE2-CD1 3.95Å; F235-L260 HydrophobicContact CZ-CD1 4.43Å
236R95.4Very high95.8Very high103 Ų10363.9 Ų63.939%0.38930%0.295SS..THydrogen-bonded Turntrans-57-25.8-177.374.9-165.9-178.3-90.79114.6H232 F233H232-R236 WeakPolarHBondContact O-CB 3.09Å; H232-R236 PolarHBondContact O-N 3.31Å; H232-R236 VanDerWaalsContact O-N 3.14Å; F233-R236 VanDerWaalsContact CD1-NH1 3.3Å; F233-R236 VanDerWaalsContact CE1-NH1 3.3Å; F233-R236 VanDerWaalsContact CE2-NH2 3.28Å; F233-R236 WeakPolarHBondContact O-CD 2.94Å; F233-R236 VanDerWaalsContact O-CG 3.25Å; F233-R236 WeakPolarHBondContact O-CG 3.2Å; F233-R236 PolarHBondContact O-N 3.36Å; F233-R236 PolarHBondContact O-NH1 2.9Å
237H94.4Very high95.5Very high144 Ų14462.9 Ų62.967%0.66729%0.291SS*.THydrogen-bonded Turntrans-109.73.1178.9-60.6-53.4000113.9F235 V239 Q240F235-H237 PolarHBondContact O-N 2.82Å; H237-V239 VanDerWaalsContact C-N 3.26Å; H237-V239 PolarHBondContact O-N 3.11Å; H237-Q240 PolarHBondContact O-OE1 3.05Å
238A94.4Very high95.4Very high16 Ų1663.2 Ų63.213%0.13229%0.291CS..  trans-91.627.8-177.400000112.9F235 Q240 H241 W249F235-A238 HydrophobicContact CB-CB 4.47Å; F235-A238 HydrophobicContact CD1-CB 4.05Å; F235-A238 PolarHBondContact O-N 2.57Å; A238-Q240 PolarHBondContact O-N 2.77Å; A238-H241 WeakPolarHBondContact O-CB 3.31Å; A238-H241 PolarHBondContact O-N 3.03Å; A238-W249 HydrophobicContact CB-CH2 4.49Å; A238-W249 HydrophobicContact CB-CZ3 3.86Å; A238-W249 VanDerWaalsContact O-CZ3 3.25Å; A238-W249 WeakPolarHBondContact O-CZ3 3.29Å
239V91.5Very high95.3Very high75 Ų7561.2 Ų61.246%0.45528%0.279SS..G310 helixtrans-55.1-29.7-1691760000113.3H237 H241 R242H237-V239 VanDerWaalsContact C-N 3.26Å; H237-V239 PolarHBondContact O-N 3.11Å; V239-H241 PolarHBondContact O-N 3.23Å; V239-R242 VanDerWaalsContact CG1-NH2 3.34Å; V239-R242 PolarHBondContact O-N 3.28Å; V239-R242 VanDerWaalsContact O-N 3.1Å
240Q95.6Very high95.3Very high137 Ų13762 Ų6264%0.6428%0.283SS*.G310 helixtrans-60.5-25.2176.771-78.84.700114H237 A238H237-Q240 PolarHBondContact O-OE1 3.05Å; A238-Q240 PolarHBondContact O-N 2.77Å
241H97.2Very high95.3Very high51 Ų5161.9 Ų61.924%0.23628%0.281CS..G310 helixtrans-90.4-7.7179.2-63.9-64.8000113A238 V239 W249 D250 A253A238-H241 WeakPolarHBondContact O-CB 3.31Å; A238-H241 PolarHBondContact O-N 3.03Å; V239-H241 PolarHBondContact O-N 3.23Å; H241-W249 HydrophobicContact CB-CE3 3.97Å; H241-W249 HydrophobicContact CB-CZ3 4.34Å; H241-W249 CarbonylContact O-C 3.51Å; H241-W249 WeakPolarHBondContact O-CA 3.33Å; H241-D250 IonicContact CE1-OD2 2.7Å; H241-D250 IonicContact CG-OD1 2.76Å; H241-D250 IonicContact CG-OD2 3.26Å; H241-D250 IonicContact ND1-OD1 3.27Å; H241-D250 PolarHBondContact ND1-OD1 3.13Å; H241-D250 IonicContact ND1-OD2 3.74Å; H241-D250 PolarHBondContact ND1-OD2 3.01Å; H241-D250 PolarHBondContact O-N 3.06Å; H241-A253 HydrophobicContact CB-CB 3.75Å
242R96.1Very high95.3Very high43 Ų4366.2 Ų66.216%0.16230%0.301CS..BIsolated β-bridgetrans-84132178.5-170.3169.656.4-130.5-5.3110.1P185 V239 W249P185-R242 WeakPolarHBondContact O-CD 3.36Å; P185-R242 PolarHBondContact O-NH1 3.31Å; V239-R242 VanDerWaalsContact CG1-NH2 3.34Å; V239-R242 PolarHBondContact O-N 3.28Å; V239-R242 VanDerWaalsContact O-N 3.1Å; R242-W249 HydrophobicContact CB-CD2 4Å; R242-W249 HydrophobicContact CB-CE3 3.96Å; R242-W249 HydrophobicContact CB-CH2 4.1Å; R242-W249 HydrophobicContact CB-CZ2 4.12Å; R242-W249 HydrophobicContact CB-CZ3 4.02Å; R242-W249 HydrophobicContact CG-CD2 4.22Å; R242-W249 HydrophobicContact CG-CZ2 4.15Å
243H94.5Very high95.3Very high76 Ų7664.2 Ų64.235%0.35229%0.292SS..  trans-64.9159.4175.2-78.1-71.6000112D245 G246 H248H243-D245 PolarHBondContact O-N 2.89Å; H243-D245 VanDerWaalsContact O-N 3.1Å; H243-G246 PolarHBondContact O-N 3.37Å; H243-H248 HydrophobicContact CB-CB 4.34Å; H243-H248 WeakPolarHBondContact CB-O 3.29Å; H243-H248 PolarHBondContact N-O 2.82Å
244R91.2Very high95.4Very high248 Ų24859.8 Ų59.894%0.93627%0.273SS*.THydrogen-bonded Turntrans-63.6-15.9-178.6-65.6-175.8179.5-178.7-0.7113.8G246R244-G246 PolarHBondContact O-N 3.31Å
245D90.7Very high95.4Very high40 Ų4057.4 Ų57.421%0.21426%0.261CS..THydrogen-bonded Turntrans-73.9-9.8174.764.616.4000113.7I190 T191 H243 V247 H248I190-D245 VanDerWaalsContact CA-O 3.3Å; I190-D245 WeakPolarHBondContact CA-O 3.37Å; T191-D245 PolarHBondContact N-O 3.38Å; T191-D245 WeakPolarHBondContact OG1-CA 3.45Å; H243-D245 PolarHBondContact O-N 2.89Å; H243-D245 VanDerWaalsContact O-N 3.1Å; D245-V247 VanDerWaalsContact C-N 3.26Å; D245-V247 PolarHBondContact O-N 3.2Å; D245-V247 PolarHBondContact OD1-N 2.82Å; D245-H248 PolarHBondContact OD1-N 2.98Å; D245-H248 IonicContact OD1-ND1 3.05Å; D245-H248 IonicContact OD2-CE1 2.72Å; D245-H248 IonicContact OD2-CG 3.8Å; D245-H248 IonicContact OD2-ND1 2.81Å; D245-H248 PolarHBondContact OD2-ND1 3.4Å
246G92.2Very high95.5Very high3 Ų360.3 Ų60.33%0.03127%0.274CS..SBendtrans77.64.617700000114.6L186 G187 H243 R244L186-G246 WeakPolarHBondContact CA-O 3.47Å; G187-G246 PolarHBondContact N-O 3.4Å; H243-G246 PolarHBondContact O-N 3.37Å; R244-G246 PolarHBondContact O-N 3.31Å
247V92.9Very high95.6Very high5 Ų555.4 Ų55.43%0.0326%0.255CS..SBendtrans-124.1-50.3-176.4172.70000111.4L143 L186 I190 F194 D245 W249L143-V247 HydrophobicContact CD2-CG1 3.61Å; L143-V247 HydrophobicContact CD2-CG2 4.26Å; L186-V247 HydrophobicContact CD2-CG2 4.03Å; I190-V247 HydrophobicContact CG2-CG2 3.6Å; F194-V247 HydrophobicContact CD1-CG2 4.29Å; F194-V247 HydrophobicContact CD2-CG1 4.27Å; F194-V247 HydrophobicContact CG-CG2 4.27Å; D245-V247 VanDerWaalsContact C-N 3.26Å; D245-V247 PolarHBondContact O-N 3.2Å; D245-V247 PolarHBondContact OD1-N 2.82Å; V247-W249 PolarHBondContact O-NE1 2.84Å
248H95.4Very high95.8Very high59 Ų5948.6 Ų48.627%0.27322%0.224SC..  trans-86.2160.4-172.7-60.597.3000112S41 H243 D245S41-H248 PolarHBondContact OG-NE2 2.91Å; H243-H248 HydrophobicContact CB-CB 4.34Å; H243-H248 WeakPolarHBondContact CB-O 3.29Å; H243-H248 PolarHBondContact N-O 2.82Å; D245-H248 PolarHBondContact OD1-N 2.98Å; D245-H248 IonicContact OD1-ND1 3.05Å; D245-H248 IonicContact OD2-CE1 2.72Å; D245-H248 IonicContact OD2-CG 3.8Å; D245-H248 IonicContact OD2-ND1 2.81Å; D245-H248 PolarHBondContact OD2-ND1 3.4Å
249W97.5Very high95.9Very high4 Ų448.4 Ų48.42%0.01522%0.22CC..BIsolated β-bridgetrans-128.3156.4-176.4-64.676.9000111.1M184 P185 F235 A238 H241 R242 V247 A253 H254M184-W249 HydrophobicContact CB-CZ2 4.28Å; M184-W249 HydrophobicContact CE-CB 4.41Å; M184-W249 HydrophobicContact CE-CD2 3.46Å; M184-W249 VanDerWaalsContact CE-CD2 3.46Å; M184-W249 HydrophobicContact CE-CE3 3.91Å; M184-W249 HydrophobicContact CE-CG 3.68Å; M184-W249 HydrophobicContact CE-CH2 4.45Å; M184-W249 HydrophobicContact CE-CZ2 4.06Å; M184-W249 HydrophobicContact CE-CZ3 4.36Å; M184-W249 HydrophobicContact SD-CD2 4.4Å; M184-W249 HydrophobicContact SD-CG 4.13Å; P185-W249 HydrophobicContact CG-CH2 4.03Å; P185-W249 HydrophobicContact CG-CZ2 3.85Å; P185-W249 WeakPolarHBondContact O-CZ2 3.44Å; F235-W249 HydrophobicContact CB-CH2 3.77Å; F235-W249 HydrophobicContact CB-CZ2 4.24Å; F235-W249 HydrophobicContact CB-CZ3 4.16Å; F235-W249 HydrophobicContact CD1-CE3 4.17Å; F235-W249 HydrophobicContact CD1-CH2 4.37Å; F235-W249 AromaticContact CD1-CZ3 3.92Å; F235-W249 HydrophobicContact CD1-CZ3 3.92Å; A238-W249 HydrophobicContact CB-CH2 4.49Å; A238-W249 HydrophobicContact CB-CZ3 3.86Å; A238-W249 VanDerWaalsContact O-CZ3 3.25Å; A238-W249 WeakPolarHBondContact O-CZ3 3.29Å; H241-W249 HydrophobicContact CB-CE3 3.97Å; H241-W249 HydrophobicContact CB-CZ3 4.34Å; H241-W249 CarbonylContact O-C 3.51Å; H241-W249 WeakPolarHBondContact O-CA 3.33Å; R242-W249 HydrophobicContact CB-CD2 4Å; R242-W249 HydrophobicContact CB-CE3 3.96Å; R242-W249 HydrophobicContact CB-CH2 4.1Å; R242-W249 HydrophobicContact CB-CZ2 4.12Å; R242-W249 HydrophobicContact CB-CZ3 4.02Å; R242-W249 HydrophobicContact CG-CD2 4.22Å; R242-W249 HydrophobicContact CG-CZ2 4.15Å; V247-W249 PolarHBondContact O-NE1 2.84Å; W249-A253 HydrophobicContact CB-CB 3.77Å; W249-A253 HydrophobicContact CD2-CB 4.33Å; W249-A253 HydrophobicContact CE3-CB 3.73Å; W249-A253 HydrophobicContact CG-CB 4.39Å; W249-H254 PolarHBondContact O-CD2 3.47Å
250D97.9Very high96.2Very high27 Ų2745.4 Ų45.414%0.14420%0.202CC..  trans-76175.9-18076.915.5000112.7H241 H252 A253 H254H241-D250 IonicContact CE1-OD2 2.7Å; H241-D250 IonicContact CG-OD1 2.76Å; H241-D250 IonicContact CG-OD2 3.26Å; H241-D250 IonicContact ND1-OD1 3.27Å; H241-D250 PolarHBondContact ND1-OD1 3.13Å; H241-D250 IonicContact ND1-OD2 3.74Å; H241-D250 PolarHBondContact ND1-OD2 3.01Å; H241-D250 PolarHBondContact O-N 3.06Å; D250-H252 PolarHBondContact O-N 3.28Å; D250-H252 WeakPolarHBondContact OD1-CA 3.17Å; D250-H252 WeakPolarHBondContact OD1-CB 3.45Å; D250-H252 PolarHBondContact OD1-N 3.47Å; D250-A253 PolarHBondContact O-N 2.99Å; D250-A253 PolarHBondContact OD1-N 3.15Å; D250-H254 PolarHBondContact O-CD2 3.34Å; D250-H254 PolarHBondContact O-N 3.11Å; D250-H254 VanDerWaalsContact O-N 3.11Å
251Q97.9Very high96.4Very high50 Ų5039.2 Ų39.223%0.23417%0.173CC..Hα-helixtrans-64.1-25.4-178.166.7-81.61.900114L59 L60 L65 R255L59-Q251 HydrophobicContact CB-CB 4.3Å; L59-Q251 HydrophobicContact CB-CG 4.04Å; L59-Q251 HydrophobicContact CD1-CG 4.03Å; L60-Q251 HydrophobicContact CB-CB 4.3Å; L60-Q251 WeakPolarHBondContact O-CB 3.35Å; L60-Q251 WeakPolarHBondContact O-CG 3.43Å; L65-Q251 HydrophobicContact CD1-CB 3.85Å; Q251-R255 WeakPolarHBondContact O-CB 3.45Å; Q251-R255 PolarHBondContact O-N 3.29Å
252H97.9Very high96.4Very high91 Ų9137 Ų3742%0.42116%0.163SC..Hα-helixtrans-76.1-41.2179.6-64.3-81.6000110.5L59 D250 R255 H256L59-H252 WeakPolarHBondContact CD1-CE1 3.41Å; D250-H252 PolarHBondContact O-N 3.28Å; D250-H252 WeakPolarHBondContact OD1-CA 3.17Å; D250-H252 WeakPolarHBondContact OD1-CB 3.45Å; D250-H252 PolarHBondContact OD1-N 3.47Å; H252-R255 PolarHBondContact O-N 2.92Å; H252-H256 WeakPolarHBondContact O-CB 3.49Å; H252-H256 PolarHBondContact O-N 3.29Å
253A98.1Very high96.5Very high2 Ų235.2 Ų35.22%0.01716%0.157CC..Hα-helixtrans-63.2-42.5173.100000112F235 H241 W249 D250 H256 L257F235-A253 HydrophobicContact CD1-CB 4.3Å; F235-A253 HydrophobicContact CE1-CB 3.78Å; F235-A253 WeakPolarHBondContact CE1-O 3.41Å; F235-A253 WeakPolarHBondContact CZ-O 3.4Å; H241-A253 HydrophobicContact CB-CB 3.75Å; W249-A253 HydrophobicContact CB-CB 3.77Å; W249-A253 HydrophobicContact CD2-CB 4.33Å; W249-A253 HydrophobicContact CE3-CB 3.73Å; W249-A253 HydrophobicContact CG-CB 4.39Å; D250-A253 PolarHBondContact O-N 2.99Å; D250-A253 PolarHBondContact OD1-N 3.15Å; A253-H256 PolarHBondContact O-N 3.12Å; A253-L257 WeakPolarHBondContact O-CB 3.21Å; A253-L257 PolarHBondContact O-N 2.61Å
254H98.2Very high96.6Very high4 Ų433.7 Ų33.72%0.01915%0.15CC..Hα-helixtrans-65.5-40.3176.3-79.7-67.4000112.8A45 W249 D250 H256 L257 S258A45-H254 WeakPolarHBondContact CB-CE1 3.3Å; A45-H254 WeakPolarHBondContact CB-ND1 3.38Å; W249-H254 PolarHBondContact O-CD2 3.47Å; D250-H254 PolarHBondContact O-CD2 3.34Å; D250-H254 PolarHBondContact O-N 3.11Å; D250-H254 VanDerWaalsContact O-N 3.11Å; H254-H256 VanDerWaalsContact C-N 3.35Å; H254-H256 PolarHBondContact O-N 3.21Å; H254-L257 WeakPolarHBondContact O-CB 3.18Å; H254-L257 PolarHBondContact O-N 3.26Å; H254-S258 PolarHBondContact O-N 2.97Å; H254-S258 PolarHBondContact O-OG 2.9Å
255R98Very high96.9Very high26 Ų2622 Ų2210%0.09811%0.106CC..Hα-helixtrans-62.4-41.9172.7179.554.352913112.5D49 L53 S58 L59 Q251 H252 L257 S258 H259D49-R255 IonicContact OD1-CZ 2.8Å; D49-R255 IonicContact OD1-NE 3.78Å; D49-R255 PolarHBondContact OD1-NE 3.34Å; D49-R255 IonicContact OD1-NH2 3.3Å; D49-R255 PolarHBondContact OD1-NH2 3.02Å; D49-R255 IonicContact OD2-CZ 3.68Å; D49-R255 IonicContact OD2-NE 3.6Å; D49-R255 PolarHBondContact OD2-NE 2.93Å; D49-R255 IonicContact OD2-NH2 3.72Å; L53-R255 VanDerWaalsContact CD2-NH1 3.28Å; S58-R255 PolarHBondContact O-NH1 3.08Å; S58-R255 PolarHBondContact O-NH2 3.35Å; L59-R255 HydrophobicContact CD2-CB 3.45Å; L59-R255 VanDerWaalsContact CD2-CB 3.45Å; L59-R255 HydrophobicContact CD2-CG 3.64Å; Q251-R255 WeakPolarHBondContact O-CB 3.45Å; Q251-R255 PolarHBondContact O-N 3.29Å; H252-R255 PolarHBondContact O-N 2.92Å; R255-L257 VanDerWaalsContact C-N 3.31Å; R255-L257 PolarHBondContact O-N 3.08Å; R255-S258 PolarHBondContact O-N 2.88Å; R255-H259 VanDerWaalsContact CD-CE1 3.5Å; R255-H259 WeakPolarHBondContact CD-CE1 3.32Å; R255-H259 PolarHBondContact O-N 2.94Å
256H97.8Very high97.3Very high62 Ų6220.1 Ų20.129%0.28710%0.096SC..Hα-helixtrans-60.7-41.8175.7-172.472.8000111.5M18 F235 H252 A253 H254 H259 L260M18-H256 WeakPolarHBondContact CE-CE1 3.4Å; M18-H256 WeakPolarHBondContact CE-ND1 3.37Å; M18-H256 PolarHBondContact SD-CE1 3.23Å; M18-H256 PolarHBondContact SD-ND1 2.95Å; F235-H256 HydrophobicContact CE1-CB 4.37Å; F235-H256 AromaticContact CE1-CD2 3.88Å; F235-H256 HydrophobicContact CZ-CB 4.21Å; F235-H256 AromaticContact CZ-CD2 3.57Å; H252-H256 WeakPolarHBondContact O-CB 3.49Å; H252-H256 PolarHBondContact O-N 3.29Å; A253-H256 PolarHBondContact O-N 3.12Å; H254-H256 VanDerWaalsContact C-N 3.35Å; H254-H256 PolarHBondContact O-N 3.21Å; H256-H259 PolarHBondContact O-N 3.11Å; H256-L260 WeakPolarHBondContact O-CG 3.12Å; H256-L260 PolarHBondContact O-N 2.85Å
257L98Very high97.4Very high0 Ų025.1 Ų25.10%012%0.122CC..Hα-helixtrans-59.6-50.2174.7-170.1170.7000110.7I42 V46 M184 L231 F235 A253 H254 R255 H259 L260 L261I42-L257 HydrophobicContact CG2-CD1 4.48Å; V46-L257 HydrophobicContact CB-CD2 4.49Å; V46-L257 HydrophobicContact CG1-CD2 4.15Å; V46-L257 HydrophobicContact CG2-CD1 3.69Å; V46-L257 HydrophobicContact CG2-CD2 3.5Å; V46-L257 VanDerWaalsContact CG2-CD2 3.5Å; V46-L257 HydrophobicContact CG2-CG 4.2Å; M184-L257 HydrophobicContact SD-CD1 4.02Å; L231-L257 HydrophobicContact CD1-CD1 3.73Å; L231-L257 HydrophobicContact CD1-CD2 4.4Å; L231-L257 HydrophobicContact CD1-CG 3.98Å; L231-L257 HydrophobicContact CD2-CD1 4.43Å; L231-L257 HydrophobicContact CD2-CD2 4.44Å; L231-L257 HydrophobicContact CD2-CG 3.86Å; F235-L257 HydrophobicContact CE2-CB 4.2Å; F235-L257 HydrophobicContact CE2-CG 4.5Å; F235-L257 HydrophobicContact CZ-CB 3.82Å; A253-L257 WeakPolarHBondContact O-CB 3.21Å; A253-L257 PolarHBondContact O-N 2.61Å; H254-L257 WeakPolarHBondContact O-CB 3.18Å; H254-L257 PolarHBondContact O-N 3.26Å; R255-L257 VanDerWaalsContact C-N 3.31Å; R255-L257 PolarHBondContact O-N 3.08Å; L257-H259 VanDerWaalsContact C-N 3.28Å; L257-H259 PolarHBondContact O-N 3.06Å; L257-L260 WeakPolarHBondContact O-CB 3.43Å; L257-L260 PolarHBondContact O-N 2.69Å; L257-L261 WeakPolarHBondContact O-CB 3.19Å; L257-L261 PolarHBondContact O-N 3.18Å
258S98.2Very high97.6Very high2 Ų227.2 Ų27.21%0.01414%0.14CC..Hα-helixtrans-57.3-41.2177.6-57.20000112D49 H254 R255 L261 L262D49-S258 VanDerWaalsContact OD2-CB 3.26Å; D49-S258 WeakPolarHBondContact OD2-CB 3.27Å; D49-S258 PolarHBondContact OD2-OG 3.08Å; H254-S258 PolarHBondContact O-N 2.97Å; H254-S258 PolarHBondContact O-OG 2.9Å; R255-S258 PolarHBondContact O-N 2.88Å; S258-L261 PolarHBondContact O-N 3.13Å; S258-L262 WeakPolarHBondContact O-CB 3.14Å; S258-L262 WeakPolarHBondContact O-CD1 3.43Å; S258-L262 WeakPolarHBondContact O-CG 3.43Å; S258-L262 PolarHBondContact O-N 3.15Å
259H97.6Very high97.7Very high11 Ų1127.6 Ų27.65%0.05114%0.139CC..Hα-helixtrans-67.5-40.1177-73.8159.8000113.2M18 V19 H20 F21 R255 H256 L257 L261 T263M18-H259 HydrophobicContact CG-CB 4.12Å; M18-H259 HydrophobicContact SD-CB 3.84Å; V19-H259 WeakPolarHBondContact O-CB 3.44Å; H20-H259 AromaticContact CE1-ND1 3.96Å; H20-H259 AromaticContact CG-ND1 3.94Å; H20-H259 AromaticContact ND1-CE1 3.49Å; H20-H259 PolarHBondContact ND1-CE1 3.34Å; H20-H259 AromaticContact ND1-ND1 3Å; H20-H259 PolarHBondContact ND1-ND1 2.89Å; F21-H259 PolarHBondContact N-CD2 2.69Å; F21-H259 VanDerWaalsContact N-CD2 3.31Å; F21-H259 PolarHBondContact N-NE2 2.77Å; F21-H259 VanDerWaalsContact N-NE2 3.14Å; F21-H259 PolarHBondContact O-NE2 3.48Å; R255-H259 VanDerWaalsContact CD-CE1 3.5Å; R255-H259 WeakPolarHBondContact CD-CE1 3.32Å; R255-H259 PolarHBondContact O-N 2.94Å; H256-H259 PolarHBondContact O-N 3.11Å; L257-H259 VanDerWaalsContact C-N 3.28Å; L257-H259 PolarHBondContact O-N 3.06Å; H259-L261 VanDerWaalsContact C-N 3.34Å; H259-T263 VanDerWaalsContact O-CB 3.3Å; H259-T263 WeakPolarHBondContact O-CB 3.32Å; H259-T263 PolarHBondContact O-N 3.42Å; H259-T263 PolarHBondContact O-OG1 3.42Å
260L97.8Very high97.7Very high12 Ų1230.5 Ų30.56%0.06317%0.171CC..Hα-helixtrans-59.4-47.2171.9-74.1168.3000111.2M18 L229 H234 F235 H256 L257 T263 H264M18-L260 HydrophobicContact CB-CD2 3.79Å; M18-L260 HydrophobicContact CG-CD2 3.73Å; M18-L260 HydrophobicContact CG-CG 4.03Å; M18-L260 HydrophobicContact SD-CD2 3.99Å; M18-L260 HydrophobicContact SD-CG 3.84Å; L229-L260 HydrophobicContact CD2-CB 4.34Å; H234-L260 HydrophobicContact CB-CD1 3.67Å; F235-L260 HydrophobicContact CE2-CD1 3.95Å; F235-L260 HydrophobicContact CZ-CD1 4.43Å; H256-L260 WeakPolarHBondContact O-CG 3.12Å; H256-L260 PolarHBondContact O-N 2.85Å; L257-L260 WeakPolarHBondContact O-CB 3.43Å; L257-L260 PolarHBondContact O-N 2.69Å; L260-T263 WeakPolarHBondContact O-CB 3.47Å; L260-T263 PolarHBondContact O-N 3.28Å; L260-H264 WeakPolarHBondContact O-CB 3.47Å; L260-H264 PolarHBondContact O-N 2.67Å
261L98.3Very high97.6Very high7 Ų732.5 Ų32.54%0.03718%0.183CC..Hα-helixtrans-63.3-46.9-180-177.564.1000112.2V46 I138 V179 L229 L257 S258 H259 T263 H264 V265V46-L261 HydrophobicContact CG1-CD2 4.08Å; I138-L261 HydrophobicContact CD1-CD2 3.61Å; I138-L261 HydrophobicContact CD1-CG 4.45Å; I138-L261 HydrophobicContact CG1-CD1 4.21Å; I138-L261 HydrophobicContact CG1-CD2 3.99Å; I138-L261 HydrophobicContact CG2-CD1 4.4Å; I138-L261 HydrophobicContact CG2-CD2 4.1Å; V179-L261 HydrophobicContact CB-CD1 4.32Å; V179-L261 HydrophobicContact CG1-CD1 3.89Å; L229-L261 HydrophobicContact CD2-CB 4.09Å; L229-L261 HydrophobicContact CD2-CD1 4.04Å; L257-L261 WeakPolarHBondContact O-CB 3.19Å; L257-L261 PolarHBondContact O-N 3.18Å; S258-L261 PolarHBondContact O-N 3.13Å; H259-L261 VanDerWaalsContact C-N 3.34Å; L261-T263 VanDerWaalsContact C-N 3.32Å; L261-T263 PolarHBondContact O-N 2.96Å; L261-H264 WeakPolarHBondContact O-CB 3.17Å; L261-H264 PolarHBondContact O-N 3.15Å; L261-V265 WeakPolarHBondContact O-CB 3.42Å; L261-V265 VanDerWaalsContact O-CG2 3.25Å; L261-V265 WeakPolarHBondContact O-CG2 3.45Å; L261-V265 PolarHBondContact O-N 3.33Å
262L98.2Very high97.3Very high6 Ų637.5 Ų37.53%0.03121%0.207CC..Hα-helixtrans-67.2-33.9178.3-68.8164.9000112.1F21 V26 L29 L30 L50 L53 S258 A266F21-L262 HydrophobicContact CB-CD1 4.42Å; F21-L262 HydrophobicContact CD2-CB 3.79Å; F21-L262 HydrophobicContact CD2-CD1 4.41Å; F21-L262 HydrophobicContact CE1-CB 4.47Å; F21-L262 HydrophobicContact CE2-CB 3.66Å; F21-L262 HydrophobicContact CG-CB 4.27Å; F21-L262 HydrophobicContact CG-CD1 4.38Å; F21-L262 HydrophobicContact CZ-CB 4.01Å; V26-L262 HydrophobicContact CG1-CD1 4.15Å; V26-L262 HydrophobicContact CG1-CD2 4.19Å; V26-L262 HydrophobicContact CG2-CD1 3.68Å; L29-L262 HydrophobicContact CD2-CB 4.31Å; L29-L262 HydrophobicContact CD2-CD2 4Å; L30-L262 HydrophobicContact CD1-CD2 4.2Å; L50-L262 HydrophobicContact CD1-CD1 4.42Å; L50-L262 HydrophobicContact CD1-CD2 4.18Å; L53-L262 HydrophobicContact CD1-CD1 4.31Å; S258-L262 WeakPolarHBondContact O-CB 3.14Å; S258-L262 WeakPolarHBondContact O-CD1 3.43Å; S258-L262 WeakPolarHBondContact O-CG 3.43Å; S258-L262 PolarHBondContact O-N 3.15Å; L262-A266 WeakPolarHBondContact O-CB 3.33Å; L262-A266 PolarHBondContact O-N 2.83Å
263T97.4Very high96.8Very high5 Ų535.3 Ų35.33%0.03120%0.198CC..Hα-helixtrans-61.9-47.8172.6-58.70000110.1S16 V19 H259 L260 L261 A266 D267 L273S16-T263 VanDerWaalsContact OG-CG2 3.22Å; S16-T263 WeakPolarHBondContact OG-CG2 3.36Å; V19-T263 PolarHBondContact N-OG1 2.88Å; V19-T263 VanDerWaalsContact N-OG1 3.11Å; H259-T263 VanDerWaalsContact O-CB 3.3Å; H259-T263 WeakPolarHBondContact O-CB 3.32Å; H259-T263 PolarHBondContact O-N 3.42Å; H259-T263 PolarHBondContact O-OG1 3.42Å; L260-T263 WeakPolarHBondContact O-CB 3.47Å; L260-T263 PolarHBondContact O-N 3.28Å; L261-T263 VanDerWaalsContact C-N 3.32Å; L261-T263 PolarHBondContact O-N 2.96Å; T263-A266 PolarHBondContact O-N 3.45Å; T263-D267 PolarHBondContact O-N 2.99Å; T263-L273 HydrophobicContact CG2-CD1 3.89Å; T263-L273 HydrophobicContact CG2-CD2 4.42Å
264H97.3Very high96Very high44 Ų4436.5 Ų36.520%0.20421%0.206CC..Hα-helixtrans-59.9-48.1177.3-176.991.7000111.8D227 L260 L261 A266 D267 A268D227-H264 WeakPolarHBondContact CB-NE2 3.04Å; D227-H264 IonicContact OD2-CD2 3.6Å; D227-H264 IonicContact OD2-CE1 3.48Å; D227-H264 PolarHBondContact OD2-CE1 3.39Å; D227-H264 IonicContact OD2-NE2 2.69Å; D227-H264 PolarHBondContact OD2-NE2 3.31Å; L260-H264 WeakPolarHBondContact O-CB 3.47Å; L260-H264 PolarHBondContact O-N 2.67Å; L261-H264 WeakPolarHBondContact O-CB 3.17Å; L261-H264 PolarHBondContact O-N 3.15Å; H264-A266 PolarHBondContact O-N 3.18Å; H264-D267 PolarHBondContact O-N 3.38Å; H264-A268 WeakPolarHBondContact O-CB 3.4Å; H264-A268 PolarHBondContact O-N 3.06Å
265V98.2Very high95Very high1 Ų145 Ų451%0.00624%0.243CC..Hα-helixtrans-62.2-43.6179.2169.10000111.8L29 L136 L177 L261 A268 W269L29-V265 HydrophobicContact CD2-CG1 4.49Å; L136-V265 HydrophobicContact CD1-CG2 3.97Å; L136-V265 HydrophobicContact CD2-CG1 4.21Å; L136-V265 HydrophobicContact CD2-CG2 3.74Å; L177-V265 HydrophobicContact CD2-CB 4.44Å; L177-V265 HydrophobicContact CD2-CG1 4.38Å; L177-V265 HydrophobicContact CD2-CG2 4.13Å; L261-V265 WeakPolarHBondContact O-CB 3.42Å; L261-V265 VanDerWaalsContact O-CG2 3.25Å; L261-V265 WeakPolarHBondContact O-CG2 3.45Å; L261-V265 PolarHBondContact O-N 3.33Å; V265-A268 PolarHBondContact O-N 3.13Å; V265-W269 HydrophobicContact CG1-CD2 3.76Å; V265-W269 HydrophobicContact CG1-CE3 3.46Å; V265-W269 VanDerWaalsContact CG1-CE3 3.46Å; V265-W269 HydrophobicContact CG1-CH2 3.64Å; V265-W269 HydrophobicContact CG1-CZ2 3.94Å; V265-W269 HydrophobicContact CG1-CZ3 3.39Å; V265-W269 WeakPolarHBondContact O-CB 3.3Å; V265-W269 PolarHBondContact O-N 3.02Å
266A97.5Very high93.8Very high1 Ų148.7 Ų48.71%0.00826%0.256CS..Hα-helixtrans-62.6-41.5176.300000112.1F21 L29 L262 T263 H264 W269 G270 V271 L273F21-A266 HydrophobicContact CZ-CB 4.35Å; L29-A266 HydrophobicContact CD1-CB 3.94Å; L29-A266 HydrophobicContact CD2-CB 4.02Å; L262-A266 WeakPolarHBondContact O-CB 3.33Å; L262-A266 PolarHBondContact O-N 2.83Å; T263-A266 PolarHBondContact O-N 3.45Å; H264-A266 PolarHBondContact O-N 3.18Å; A266-W269 PolarHBondContact O-N 3.12Å; A266-G270 PolarHBondContact O-N 3.07Å; A266-V271 HydrophobicContact CB-CB 4.24Å; A266-V271 PolarHBondContact O-N 3.24Å; A266-L273 HydrophobicContact CB-CD2 3.46Å; A266-L273 VanDerWaalsContact CB-CD2 3.46Å; A266-L273 HydrophobicContact CB-CG 4.44Å
267D96.2Very high91.6Very high108 Ų10849.2 Ų49.258%0.57828%0.279SS*.Hα-helixtrans-63.1-47.7175.5-168.656000111.5T263 H264 W269 G270T263-D267 PolarHBondContact O-N 2.99Å; H264-D267 PolarHBondContact O-N 3.38Å; D267-W269 VanDerWaalsContact C-N 3.29Å; D267-W269 PolarHBondContact O-N 3.45Å; D267-G270 PolarHBondContact O-N 3.4Å
268A96.6Very high88.9Confident49 Ų4957 Ų5741%0.40531%0.309SS..Hα-helixtrans-60.4-36.2178.100000112.9L177 H264 V265 G270L177-A268 HydrophobicContact CD1-CB 4.1Å; L177-A268 HydrophobicContact CD2-CB 3.67Å; H264-A268 WeakPolarHBondContact O-CB 3.4Å; H264-A268 PolarHBondContact O-N 3.06Å; V265-A268 PolarHBondContact O-N 3.13Å; A268-G270 VanDerWaalsContact C-N 3.34Å
269W97.6Very high85.8Confident67 Ų6762.3 Ų62.325%0.25434%0.344SS..THydrogen-bonded Turntrans-86.20.1175.2-68.3-17.6000114.2L29 L30 K33 D135 L136 V265 A266 D267 V271L29-W269 HydrophobicContact CD1-CE3 3.82Å; L29-W269 HydrophobicContact CD1-CZ3 4.17Å; L29-W269 HydrophobicContact CG-CE3 4.45Å; L29-W269 HydrophobicContact CG-CZ3 4.32Å; L29-W269 WeakPolarHBondContact O-CZ3 3.31Å; L30-W269 HydrophobicContact CD2-CH2 4.01Å; L30-W269 HydrophobicContact CD2-CZ3 3.9Å; K33-W269 HydrophobicContact CD-CH2 4.07Å; K33-W269 HydrophobicContact CD-CZ3 4.46Å; K33-W269 HydrophobicContact CG-CH2 4.06Å; K33-W269 HydrophobicContact CG-CZ3 4.26Å; D135-W269 HydrophobicContact CB-CZ2 4.45Å; L136-W269 HydrophobicContact CB-CH2 4.3Å; L136-W269 HydrophobicContact CB-CZ2 4.08Å; L136-W269 HydrophobicContact CD2-CH2 4.49Å; V265-W269 HydrophobicContact CG1-CD2 3.76Å; V265-W269 HydrophobicContact CG1-CE3 3.46Å; V265-W269 VanDerWaalsContact CG1-CE3 3.46Å; V265-W269 HydrophobicContact CG1-CH2 3.64Å; V265-W269 HydrophobicContact CG1-CZ2 3.94Å; V265-W269 HydrophobicContact CG1-CZ3 3.39Å; V265-W269 WeakPolarHBondContact O-CB 3.3Å; V265-W269 PolarHBondContact O-N 3.02Å; A266-W269 PolarHBondContact O-N 3.12Å; D267-W269 VanDerWaalsContact C-N 3.29Å; D267-W269 PolarHBondContact O-N 3.45Å; W269-V271 VanDerWaalsContact C-N 3.25Å; W269-V271 HydrophobicContact CB-CG2 4.03Å; W269-V271 PolarHBondContact O-N 3.17Å
270G96.1Very high82.9Confident66 Ų6671.3 Ų71.368%0.6840%0.403SS*.THydrogen-bonded Turntrans64.927.2-178.700000113.8A266 D267 A268A266-G270 PolarHBondContact O-N 3.07Å; D267-G270 PolarHBondContact O-N 3.4Å; A268-G270 VanDerWaalsContact C-N 3.34Å
271V95.8Very high82.1Confident68 Ų6874.3 Ų74.341%0.41242%0.42SS..PPolyproline II helixtrans-85.5128.1177.6178.30000109.4L29 A266 W269 L273L29-V271 HydrophobicContact CD1-CB 4.05Å; L29-V271 HydrophobicContact CD1-CG1 4.09Å; L29-V271 HydrophobicContact CD1-CG2 3.95Å; A266-V271 HydrophobicContact CB-CB 4.24Å; A266-V271 PolarHBondContact O-N 3.24Å; W269-V271 VanDerWaalsContact C-N 3.25Å; W269-V271 HydrophobicContact CB-CG2 4.03Å; W269-V271 PolarHBondContact O-N 3.17Å; V271-L273 PolarHBondContact O-N 3.16Å
272E91.7Very high81.3Confident156 Ų15677.8 Ų77.873%0.72944%0.44SS*.PPolyproline II helixtrans-61124.1177.1-71.9-164.5-166.900111.4K275E272-K275 IonicContact OE2-NZ 3.51Å
273L87.6Confident80.3Confident44 Ų4481.8 Ų81.823%0.2346%0.463CS..PPolyproline II helixtrans-71.4148.2177-66.8172.1000111.7V19 F21 T263 A266 V271 K275V19-L273 HydrophobicContact CG2-CB 4.1Å; V19-L273 HydrophobicContact CG2-CD1 3.91Å; V19-L273 HydrophobicContact CG2-CG 4.42Å; F21-L273 HydrophobicContact CE1-CD2 4.28Å; F21-L273 HydrophobicContact CE2-CD2 4.39Å; F21-L273 HydrophobicContact CZ-CD2 3.55Å; T263-L273 HydrophobicContact CG2-CD1 3.89Å; T263-L273 HydrophobicContact CG2-CD2 4.42Å; A266-L273 HydrophobicContact CB-CD2 3.46Å; A266-L273 VanDerWaalsContact CB-CD2 3.46Å; A266-L273 HydrophobicContact CB-CG 4.44Å; V271-L273 PolarHBondContact O-N 3.16Å; L273-K275 PolarHBondContact O-N 3.32Å; L273-K275 VanDerWaalsContact O-N 3.16Å
274P82.4Confident79.3Confident28 Ų2886.4 Ų86.418%0.18249%0.488CS..PPolyproline II helixtrans-53.5120.2173.5-26.533.1000112.6V19 E25 R276V19-P274 HydrophobicContact CG1-CB 4.14Å; V19-P274 HydrophobicContact CG1-CG 4.21Å; E25-P274 HydrophobicContact CB-CG 4.41Å; E25-P274 HydrophobicContact CG-CG 4.05Å; E25-P274 VanDerWaalsContact OE1-CB 3.25Å; E25-P274 WeakPolarHBondContact OE1-CB 3.27Å; E25-P274 VanDerWaalsContact OE1-CG 3.23Å; E25-P274 WeakPolarHBondContact OE1-CG 3.33Å; P274-R276 VanDerWaalsContact C-N 3.31Å; P274-R276 PolarHBondContact O-N 3.5Å
275K77.3Confident78.2Confident183 Ų18389 Ų8980%0.79651%0.506SS*.  trans-81.176.9175.9-62.3177-1711640109.6E272 L273E272-K275 IonicContact OE2-NZ 3.51Å; L273-K275 PolarHBondContact O-N 3.32Å; L273-K275 VanDerWaalsContact O-N 3.16Å
276R72.9Confident76.9Confident103 Ų10394.9 Ų94.939%0.38954%0.54SS..  trans-94.4115.1166.6-64.5-174.5-166.3143.613.9108.1H20 Q22 E25 P274 Y278H20-R276 PolarHBondContact O-NH1 3.11Å; Q22-R276 VanDerWaalsContact NE2-NH2 3.2Å; E25-R276 IonicContact OE1-CZ 3.64Å; E25-R276 IonicContact OE1-NE 3.96Å; E25-R276 IonicContact OE1-NH2 2.68Å; E25-R276 PolarHBondContact OE1-NH2 2.83Å; E25-R276 IonicContact OE2-CZ 3.62Å; E25-R276 IonicContact OE2-NH2 2.66Å; E25-R276 PolarHBondContact OE2-NH2 3.39Å; P274-R276 VanDerWaalsContact C-N 3.31Å; P274-R276 PolarHBondContact O-N 3.5Å; R276-Y278 PolarHBondContact O-N 2.92Å
277G51.6Low75.4Confident73 Ų73101.6 Ų101.675%0.75358%0.578SS**PPolyproline II helixtrans-58.7127.417000000108.5P279G277-P279 WeakPolarHBondContact O-CD 3.46Å; G277-P279 VanDerWaalsContact O-N 3.15Å
278Y40.9Very low73.8Confident163 Ų163101.1 Ų101.164%0.63958%0.578SS**PPolyproline II helixtrans-53122.1164.9-74.3-83.9000107.2R276R276-Y278 PolarHBondContact O-N 2.92Å
279P33.9Very low71.9Confident114 Ų114105.4 Ų105.474%0.7459%0.592SS**PPolyproline II helixtrans-60.2139160.526-27.2000107G277G277-P279 WeakPolarHBondContact O-CD 3.46Å; G277-P279 VanDerWaalsContact O-N 3.15Å
280P35.1Very low69.6Low200 Ų200108.9 Ų108.9100%1.29962%0.623SS**  trans-57.40-178.924.7-34.3000113

Retrieved 280 of 280 residues in 59.8 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).