A0A3Q0KGC0_SCHMA Loading...

EB domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KGC0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 247 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M29.5Very low25.7Very low254 Ų254163.5 Ų163.5100%1.25181%0.81SS**  0115.90-68.1159.6164.200108.5
2G25Very low26.2Very low70 Ų70156.3 Ų156.372%0.72277%0.766SS**  cis125.983.9-400000113.4
3K23.7Very low26.7Very low208 Ų208146.8 Ų146.890%0.90473%0.725SS**  trans91151.4170.6-52.5170.3-178.6176.90116.9
4I25.7Very low26.9Very low161 Ų161145.9 Ų145.983%0.82672%0.715SS**  trans7753.6169.1-31.7176.8000118.5
5Y24.3Very low27.2Very low229 Ų229140 Ų14090%0.89868%0.682SS**  trans-130.748.9158.6-97.5-83.2000112.5
6K23.2Very low27.5Very low204 Ų204132.1 Ų132.189%0.88764%0.644SS**  trans-14391.5175-76.2-172.8176.3-179.70111.6
7K24.6Very low27.8Very low208 Ų208127 Ų12790%0.90462%0.619SS**SBendtrans177.5-6.9147.3-103170.9-179.5-176.80117.8R9K7-R9 PolarHBondContact O-N 3.5Å
8C24.6Very low28.1Very low120 Ų120123.2 Ų123.281%0.81161%0.608SS**  trans-77.121.4-176-70.70000116.8A10C8-A10 PolarHBondContact O-N 3.24Å
9R25.6Very low28.4Very low242 Ų242122.8 Ų122.891%0.91360%0.602SS**  trans-101.742.6-164.3-138.7179.1-164.5-179.64.9114.7K7K7-R9 PolarHBondContact O-N 3.5Å
10A26.6Very low28.7Very low57 Ų57117.8 Ų117.847%0.47158%0.579SS.*SBendtrans-97.3108.3-178.300000112.8C8 W12 Y154C8-A10 PolarHBondContact O-N 3.24Å; A10-W12 PolarHBondContact O-N 3.43Å; A10-Y154 HydrophobicContact CB-CE2 4.15Å
11S29.5Very low29.1Very low46 Ų46115 Ų11532%0.32257%0.571SS.*  trans30.381.8164.456.10000117.8S13 K14 W15 Y154S11-S13 PolarHBondContact O-N 2.95Å; S11-K14 PolarHBondContact O-N 3.32Å; S11-W15 WeakPolarHBondContact O-CB 3.06Å; S11-W15 PolarHBondContact O-N 2.9Å; S11-Y154 PolarHBondContact OG-OH 3.47Å
12W32.3Very low29.7Very low76 Ų76104.8 Ų104.829%0.28852%0.521SS..THydrogen-bonded Turntrans-50.6-23.2169.4170.586.4000114.4A10 W15 M16 P124 W130A10-W12 PolarHBondContact O-N 3.43Å; W12-W15 WeakPolarHBondContact O-CB 3.05Å; W12-M16 HydrophobicContact CD2-CE 4.38Å; W12-M16 VanDerWaalsContact CE2-CE 3.43Å; W12-M16 HydrophobicContact CH2-CE 3.8Å; W12-M16 HydrophobicContact CZ2-CE 3.09Å; W12-M16 PolarHBondContact O-N 2.54Å; W12-P124 VanDerWaalsContact CH2-O 3.31Å; W12-P124 WeakPolarHBondContact CH2-O 3.22Å; W12-P124 VanDerWaalsContact CZ3-O 3.28Å; W12-P124 WeakPolarHBondContact CZ3-O 3.16Å; W12-W130 HydrophobicContact CH2-CB 4.07Å; W12-W130 AromaticContact CH2-CD1 3.18Å; W12-W130 HydrophobicContact CH2-CD2 4.44Å; W12-W130 AromaticContact CH2-CG 3.64Å; W12-W130 HydrophobicContact CH2-CG 3.64Å; W12-W130 AromaticContact CH2-NE1 3.68Å; W12-W130 AromaticContact CZ2-CD1 3.25Å; W12-W130 HydrophobicContact CZ2-CD2 4.17Å; W12-W130 AromaticContact CZ2-CE2 3.78Å; W12-W130 AromaticContact CZ2-CG 3.81Å; W12-W130 HydrophobicContact CZ2-CG 3.81Å; W12-W130 AromaticContact CZ2-NE1 3.19Å; W12-W130 HydrophobicContact CZ3-CB 4.26Å; W12-W130 HydrophobicContact CZ3-CG 4.23Å
13S32.4Very low30.4Very low33 Ų33108.7 Ų108.723%0.23152%0.521CS..THydrogen-bonded Turntrans-65.3-67.5171.244.90000113.7S11 W15 M16 L125S11-S13 PolarHBondContact O-N 2.95Å; S13-W15 PolarHBondContact O-N 3Å; S13-M16 PolarHBondContact O-N 3.15Å; S13-L125 WeakPolarHBondContact CB-O 3.37Å
14K30Very low31.7Very low135 Ų135101.1 Ų101.159%0.58749%0.486SS*.G310 helixtrans-53.8-38.6175.8-63.5-173.8176.2-175.30110.3S11 M16 L155S11-K14 PolarHBondContact O-N 3.32Å; K14-M16 PolarHBondContact O-N 3.42Å; K14-M16 VanDerWaalsContact O-N 3.12Å; K14-L155 CarbonylContact O-C 3.49Å; K14-L155 VanDerWaalsContact O-C 3.3Å; K14-L155 VanDerWaalsContact O-O 3.06Å
15W30.3Very low32.5Very low57 Ų57101.2 Ų101.222%0.21649%0.489CS..G310 helixtrans-55.3-19.3175-174105.8000115.4S11 W12 S13 V153 Y154 L155S11-W15 WeakPolarHBondContact O-CB 3.06Å; S11-W15 PolarHBondContact O-N 2.9Å; W12-W15 WeakPolarHBondContact O-CB 3.05Å; S13-W15 PolarHBondContact O-N 3Å; W15-V153 VanDerWaalsContact CE2-N 3.26Å; W15-Y154 HydrophobicContact CB-CE2 4.49Å; W15-Y154 AromaticContact CD1-CD2 3.37Å; W15-Y154 AromaticContact CD1-CE2 3.95Å; W15-Y154 AromaticContact CD1-CG 3.8Å; W15-Y154 HydrophobicContact CG-CD2 4.3Å; W15-L155 VanDerWaalsContact C-CB 3.47Å; W15-L155 WeakPolarHBondContact O-CB 3.32Å; W15-L155 WeakPolarHBondContact O-CD1 3.45Å; W15-L155 VanDerWaalsContact O-CG 3.24Å; W15-L155 WeakPolarHBondContact O-CG 3.07Å; W15-L155 PolarHBondContact O-N 3.27Å; W15-L155 VanDerWaalsContact O-N 3.13Å
16M32.6Very low33.6Very low14 Ų1491.5 Ų91.57%0.06945%0.452CS..G310 helixtrans-109.37.8-176.1-146.2-161.3-67.600116.6W12 S13 K14 V82 V123 L155W12-M16 HydrophobicContact CD2-CE 4.38Å; W12-M16 VanDerWaalsContact CE2-CE 3.43Å; W12-M16 HydrophobicContact CH2-CE 3.8Å; W12-M16 HydrophobicContact CZ2-CE 3.09Å; W12-M16 PolarHBondContact O-N 2.54Å; S13-M16 PolarHBondContact O-N 3.15Å; K14-M16 PolarHBondContact O-N 3.42Å; K14-M16 VanDerWaalsContact O-N 3.12Å; M16-V82 HydrophobicContact SD-CG1 4Å; M16-V82 HydrophobicContact SD-CG2 4.34Å; M16-V123 HydrophobicContact CE-CG1 4.37Å; M16-V123 HydrophobicContact SD-CG1 4.02Å; M16-L155 WeakPolarHBondContact O-CD2 3Å
17I33Very low34.5Very low45 Ų4587.2 Ų87.223%0.23144%0.443CS..SBendtrans-94.9-57.7-165.7-59.2169.3000117.1L100 L125 L155 V157I17-L100 HydrophobicContact CD1-CD1 4.48Å; I17-L100 HydrophobicContact CG1-CD1 4.13Å; I17-L100 HydrophobicContact CG1-CD2 4.15Å; I17-L100 HydrophobicContact CG2-CD1 3.77Å; I17-L100 HydrophobicContact CG2-CD2 4.48Å; I17-L125 HydrophobicContact CD1-CD1 4.1Å; I17-L125 HydrophobicContact CD1-CD2 4.48Å; I17-L125 HydrophobicContact CG1-CD2 4.45Å; I17-L155 VanDerWaalsContact N-CD2 3.32Å; I17-V157 HydrophobicContact CB-CG2 3.52Å; I17-V157 HydrophobicContact CD1-CG2 3.58Å; I17-V157 HydrophobicContact CG1-CG2 4.11Å; I17-V157 HydrophobicContact CG2-CB 4.48Å; I17-V157 HydrophobicContact CG2-CG1 4.29Å; I17-V157 HydrophobicContact CG2-CG2 3.47Å; I17-V157 VanDerWaalsContact CG2-CG2 3.47Å
18S32.5Very low35.5Very low58 Ų5881.7 Ų81.741%0.40642%0.423SS..SBendtrans-93.4-54.1-175.366.10000120.3T20 D156S18-T20 PolarHBondContact O-N 2.81Å; S18-D156 WeakPolarHBondContact CB-O 3.07Å; S18-D156 WeakPolarHBondContact OG-CA 2.97Å; S18-D156 PolarHBondContact OG-N 2.72Å; S18-D156 PolarHBondContact OG-O 2.88Å
19K34.5Very low36.8Very low116 Ų11678.2 Ų78.250%0.50440%0.396SS..SBendtrans-65.516-178.5-43.3-171.3-170.2178.20116.4Y154 L155K19-Y154 WeakPolarHBondContact CD-O 3.35Å; K19-Y154 WeakPolarHBondContact CE-O 3.33Å; K19-Y154 PolarHBondContact NZ-O 3.29Å; K19-L155 HydrophobicContact CB-CD1 4Å; K19-L155 HydrophobicContact CB-CD2 4.23Å; K19-L155 HydrophobicContact CB-CG 3.66Å; K19-L155 HydrophobicContact CG-CG 4.06Å
20T35.2Very low37.8Very low23 Ų2373.2 Ų73.214%0.14139%0.388CS..  trans-127.2102.7174.1-54.30000106.1S18 L22 C45 L155S18-T20 PolarHBondContact O-N 2.81Å; T20-L22 VanDerWaalsContact C-N 3.33Å; T20-L22 HydrophobicContact CG2-CD2 3.46Å; T20-L22 VanDerWaalsContact CG2-CD2 3.46Å; T20-L22 HydrophobicContact CG2-CG 3.77Å; T20-L22 PolarHBondContact O-N 3.17Å; T20-C45 HydrophobicContact CG2-CB 3.94Å; T20-L155 VanDerWaalsContact N-CD2 3.27Å; T20-L155 VanDerWaalsContact OG1-CD2 3.29Å; T20-L155 WeakPolarHBondContact OG1-CD2 3.2Å
21S35.9Very low39Very low58 Ų5871 Ų7141%0.40637%0.367SS..  trans-69.795163.741.30000108.4H23S21-H23 PolarHBondContact O-N 2.98Å; S21-H23 VanDerWaalsContact O-N 3.08Å
22L43Very low40.1Very low40 Ų4074.7 Ų74.721%0.20938%0.384CS..  trans-78.188.2175.4-68.5171.1000109T20 W24 T43T20-L22 VanDerWaalsContact C-N 3.33Å; T20-L22 HydrophobicContact CG2-CD2 3.46Å; T20-L22 VanDerWaalsContact CG2-CD2 3.46Å; T20-L22 HydrophobicContact CG2-CG 3.77Å; T20-L22 PolarHBondContact O-N 3.17Å; L22-W24 HydrophobicContact CB-CD2 4.03Å; L22-W24 HydrophobicContact CB-CG 4.15Å; L22-W24 HydrophobicContact CB-CZ2 4.22Å; L22-W24 HydrophobicContact CD1-CH2 3.97Å; L22-W24 HydrophobicContact CD1-CZ2 3.64Å; L22-W24 HydrophobicContact CD2-CZ2 3.71Å; L22-W24 HydrophobicContact CG-CZ2 4.05Å; L22-W24 PolarHBondContact O-N 3.42Å; L22-T43 HydrophobicContact CD2-CG2 3.92Å
23H39.6Very low40.9Very low153 Ų15374.7 Ų74.771%0.70839%0.389SS*.  trans-74.989.6173.2-76.2-78.5000109.9S21S21-H23 PolarHBondContact O-N 2.98Å; S21-H23 VanDerWaalsContact O-N 3.08Å
24W50.6Low41.7Very low49 Ų4979.7 Ų79.719%0.18642%0.418CS..  trans-111.4109.9-170.6-76.93000112.1L22 I26 T43 V82 I84 I102 V123L22-W24 HydrophobicContact CB-CD2 4.03Å; L22-W24 HydrophobicContact CB-CG 4.15Å; L22-W24 HydrophobicContact CB-CZ2 4.22Å; L22-W24 HydrophobicContact CD1-CH2 3.97Å; L22-W24 HydrophobicContact CD1-CZ2 3.64Å; L22-W24 HydrophobicContact CD2-CZ2 3.71Å; L22-W24 HydrophobicContact CG-CZ2 4.05Å; L22-W24 PolarHBondContact O-N 3.42Å; W24-I26 VanDerWaalsContact C-N 3.27Å; W24-I26 HydrophobicContact CB-CD1 4.19Å; W24-I26 HydrophobicContact CB-CG1 4.11Å; W24-I26 HydrophobicContact CD2-CD1 3.89Å; W24-I26 HydrophobicContact CE3-CD1 3.26Å; W24-I26 HydrophobicContact CE3-CG1 4.34Å; W24-I26 HydrophobicContact CG-CD1 4.3Å; W24-I26 HydrophobicContact CZ3-CD1 3.83Å; W24-I26 PolarHBondContact O-N 3.09Å; W24-T43 PolarHBondContact NE1-OG1 2.83Å; W24-V82 HydrophobicContact CH2-CG1 3.94Å; W24-V82 HydrophobicContact CZ2-CB 4.26Å; W24-V82 HydrophobicContact CZ2-CG1 3.9Å; W24-I84 HydrophobicContact CD2-CD1 4.22Å; W24-I84 HydrophobicContact CE3-CD1 4Å; W24-I84 HydrophobicContact CH2-CD1 3.21Å; W24-I84 HydrophobicContact CH2-CG1 3.39Å; W24-I84 HydrophobicContact CZ2-CD1 3.46Å; W24-I84 VanDerWaalsContact CZ2-CD1 3.46Å; W24-I84 HydrophobicContact CZ2-CG1 4.01Å; W24-I84 HydrophobicContact CZ3-CD1 3.46Å; W24-I84 VanDerWaalsContact CZ3-CD1 3.46Å; W24-I84 HydrophobicContact CZ3-CG1 3.79Å; W24-I84 HydrophobicContact CZ3-CG2 4.42Å; W24-I102 HydrophobicContact CE3-CB 4.5Å; W24-I102 HydrophobicContact CE3-CD1 4.18Å; W24-I102 HydrophobicContact CE3-CG2 3.56Å; W24-I102 HydrophobicContact CH2-CD1 3.7Å; W24-I102 HydrophobicContact CZ3-CB 4.28Å; W24-I102 HydrophobicContact CZ3-CD1 3.29Å; W24-I102 HydrophobicContact CZ3-CG1 4.28Å; W24-I102 HydrophobicContact CZ3-CG2 3.8Å; W24-V123 HydrophobicContact CH2-CG2 3.66Å; W24-V123 HydrophobicContact CZ3-CG2 4.33Å
25N42.3Very low43.1Very low163 Ų16374.5 Ų74.587%0.87240%0.403SS*.  trans-87.470.6163.5-162.211.2000109.2T27N25-T27 PolarHBondContact O-N 2.68Å
26I46.7Very low44.9Very low24 Ų2476.4 Ų76.412%0.12341%0.41CS..  trans-80.7110.2177.4-74.4174.7000109.5W24 I84 K103 V121W24-I26 VanDerWaalsContact C-N 3.27Å; W24-I26 HydrophobicContact CB-CD1 4.19Å; W24-I26 HydrophobicContact CB-CG1 4.11Å; W24-I26 HydrophobicContact CD2-CD1 3.89Å; W24-I26 HydrophobicContact CE3-CD1 3.26Å; W24-I26 HydrophobicContact CE3-CG1 4.34Å; W24-I26 HydrophobicContact CG-CD1 4.3Å; W24-I26 HydrophobicContact CZ3-CD1 3.83Å; W24-I26 PolarHBondContact O-N 3.09Å; I26-I84 HydrophobicContact CD1-CD1 4.07Å; I26-I84 HydrophobicContact CD1-CG2 4.25Å; I26-K103 PolarHBondContact O-NZ 2.98Å; I26-V121 HydrophobicContact CD1-CG1 4.06Å; I26-V121 HydrophobicContact CG2-CG1 4.44Å
27T43.9Very low46.9Very low115 Ų11581.2 Ų81.271%0.70643%0.43SS*.  trans-57143.9160.849.80000109.9N25 I29N25-T27 PolarHBondContact O-N 2.68Å; T27-I29 PolarHBondContact O-N 3.13Å
28D45Very low48.8Very low92 Ų9280.1 Ų80.149%0.49243%0.427SS..  trans-65.2126.9-177.5-65.1-57.5000111N30 K103 Y105D28-N30 PolarHBondContact O-N 2.92Å; D28-K103 VanDerWaalsContact CG-NZ 3.33Å; D28-K103 WeakPolarHBondContact OD1-CE 3.48Å; D28-K103 IonicContact OD1-NZ 3.44Å; D28-K103 PolarHBondContact OD1-NZ 3.23Å; D28-K103 IonicContact OD2-NZ 2.77Å; D28-K103 PolarHBondContact OD2-NZ 3.48Å; D28-Y105 HydrophobicContact CB-CD2 4.37Å; D28-Y105 WeakPolarHBondContact OD1-CB 3.44Å
29I50.6Low50.5Low47 Ų4779.9 Ų79.924%0.24143%0.428CS..  trans-82.1107.6-174.8-62.2172.1000107.8T27 L31 Y105T27-I29 PolarHBondContact O-N 3.13Å; I29-L31 HydrophobicContact CG2-CD2 4.2Å; I29-L31 HydrophobicContact CG2-CG 4.21Å; I29-L31 PolarHBondContact O-N 3.18Å; I29-Y105 PolarHBondContact O-OH 3.46Å
30N48.1Very low52.1Low137 Ų13777.3 Ų77.373%0.73342%0.415SS*.  trans-67.3118.8178.1-158.6-13.1000110.3D28 K37D28-N30 PolarHBondContact O-N 2.92Å; N30-K37 PolarHBondContact O-NZ 2.03Å
31L51.7Low53.4Low9 Ų979.5 Ų79.55%0.04743%0.425CS..  trans-125.5132.5-174.7-75.9-175.8000109.8I29 K37 S86 I88 Y105I29-L31 HydrophobicContact CG2-CD2 4.2Å; I29-L31 HydrophobicContact CG2-CG 4.21Å; I29-L31 PolarHBondContact O-N 3.18Å; L31-K37 HydrophobicContact CD2-CB 3.82Å; L31-K37 HydrophobicContact CD2-CD 3.53Å; L31-K37 HydrophobicContact CD2-CG 3.47Å; L31-K37 VanDerWaalsContact CD2-CG 3.47Å; L31-S86 WeakPolarHBondContact CD1-OG 3.28Å; L31-I88 HydrophobicContact CB-CD1 3.73Å; L31-I88 HydrophobicContact CB-CG1 4.17Å; L31-I88 HydrophobicContact CD1-CG1 4.23Å; L31-I88 WeakPolarHBondContact O-CD1 3.4Å; L31-Y105 WeakPolarHBondContact CD1-OH 3.43Å
32N51.6Low54.7Low125 Ų12581.4 Ų81.467%0.66843%0.431SS*.  trans-66.8146.8159.5-67.87.1000108.4T34 G35N32-T34 PolarHBondContact O-N 2.98Å; N32-G35 PolarHBondContact O-N 3.38Å
33I48.8Very low55.1Low76 Ų7680 Ų8039%0.3942%0.424SS..THydrogen-bonded Turntrans-49.5-29.1-172.1-67.4169.7000113.6L117I33-L117 HydrophobicContact CD1-CD1 4.32Å; I33-L117 HydrophobicContact CG1-CD1 4.19Å; I33-L117 HydrophobicContact CG2-CD1 3.96Å
34T49.3Very low55.4Low138 Ų13875.7 Ų75.785%0.84741%0.412SS*.THydrogen-bonded Turntrans-96.1-2.6-175.952.90000115.2N32N32-T34 PolarHBondContact O-N 2.98Å
35G60.3Low55.2Low26 Ų2673.8 Ų73.827%0.26841%0.405SS..  trans-100.2123.6-16800000115.4N32N32-G35 PolarHBondContact O-N 3.38Å
36R68.8Low55.1Low97 Ų9768 Ų6837%0.36638%0.376SS..  trans-82.8123151.7-176.1-170.5-165.9176.810.1107.9C38 S86 Y122 T129R36-C38 PolarHBondContact NE-SG 3.45Å; R36-C38 VanDerWaalsContact NE-SG 3.4Å; R36-S86 WeakPolarHBondContact CA-O 2.86Å; R36-Y122 PolarHBondContact NE-OH 2.85Å; R36-Y122 PolarHBondContact NH2-OH 3.49Å; R36-T129 PolarHBondContact NH1-OG1 3Å; R36-T129 VanDerWaalsContact NH1-OG1 3.1Å; R36-T129 PolarHBondContact NH2-OG1 3.36Å; R36-T129 VanDerWaalsContact NH2-OG1 3.17Å
37K73.5Confident55Low114 Ų11470.4 Ų70.450%0.49638%0.384SS..EExtended strand (participates in β ladder)trans-112.4139.1163.7-66.8-179.1-169.6166.40108.7N30 L31 C85 S86N30-K37 PolarHBondContact O-NZ 2.03Å; L31-K37 HydrophobicContact CD2-CB 3.82Å; L31-K37 HydrophobicContact CD2-CD 3.53Å; L31-K37 HydrophobicContact CD2-CG 3.47Å; L31-K37 VanDerWaalsContact CD2-CG 3.47Å; K37-C85 CarbonylContact O-C 3.52Å; K37-C85 WeakPolarHBondContact O-CA 3.08Å; K37-S86 PolarHBondContact N-O 3.2Å; K37-S86 VanDerWaalsContact N-O 3.12Å; K37-S86 PolarHBondContact O-N 2.89Å
38C74Confident54.8Low23 Ų2369.7 Ų69.716%0.15538%0.376CS..EExtended strand (participates in β ladder)trans-130147167-49.50000109.7R36 L83 I84 C85 Y133R36-C38 PolarHBondContact NE-SG 3.45Å; R36-C38 VanDerWaalsContact NE-SG 3.4Å; C38-L83 HydrophobicContact CB-CD1 3.84Å; C38-L83 HydrophobicContact CB-CG 4.42Å; C38-I84 CarbonylContact C-O 3.59Å; C38-I84 WeakPolarHBondContact CA-O 3.24Å; C38-C85 HydrophobicContact CB-CB 4.03Å; C38-C85 WeakPolarHBondContact CB-SG 3.16Å; C38-C85 VanDerWaalsContact SG-CA 3.57Å; C38-C85 WeakPolarHBondContact SG-CB 3.1Å; C38-C85 CovalentContact SG-SG 2.04Å; C38-C85 PolarHBondContact SG-SG 3.42Å; C38-Y133 HydrophobicContact CB-CD1 4.05Å; C38-Y133 HydrophobicContact CB-CD2 4.08Å; C38-Y133 HydrophobicContact CB-CE1 3.74Å; C38-Y133 HydrophobicContact CB-CE2 3.77Å; C38-Y133 HydrophobicContact CB-CG 4.22Å; C38-Y133 WeakPolarHBondContact SG-CE2 3.47Å; C38-Y133 VanDerWaalsContact SG-CZ 3.56Å
39A67.9Low54.4Low53 Ų5371.3 Ų71.344%0.43838%0.375SS..EExtended strand (participates in β ladder)trans-139.8148.3179.400000110.3I84A39-I84 PolarHBondContact N-O 3.27Å; A39-I84 PolarHBondContact O-N 2.87Å
40W68Low53.8Low61 Ų6180.4 Ų80.423%0.23141%0.406CS..EExtended strand (participates in β ladder)trans-83.3120.7170.6-71101.4000109.8R81 L83 W130 Y133 E134 K137W40-R81 HydrophobicContact CE3-CB 4.23Å; W40-R81 HydrophobicContact CZ3-CB 4.41Å; W40-L83 HydrophobicContact CD2-CB 4.35Å; W40-L83 HydrophobicContact CD2-CD1 4.19Å; W40-L83 HydrophobicContact CE3-CB 4.07Å; W40-L83 HydrophobicContact CG-CD1 4.41Å; W40-L83 HydrophobicContact CH2-CB 4.38Å; W40-L83 HydrophobicContact CZ3-CB 4.11Å; W40-W130 AromaticContact CH2-CD1 3.9Å; W40-W130 HydrophobicContact CH2-CD2 4.21Å; W40-W130 AromaticContact CH2-CE2 3.4Å; W40-W130 HydrophobicContact CH2-CH2 4.46Å; W40-W130 AromaticContact CH2-CZ2 3.58Å; W40-W130 HydrophobicContact CH2-CZ2 3.58Å; W40-W130 AromaticContact CH2-NE1 3.15Å; W40-W130 HydrophobicContact CZ3-CZ2 4.19Å; W40-W130 AromaticContact CZ3-NE1 3.57Å; W40-Y133 PolarHBondContact NE1-O 2.85Å; W40-E134 HydrophobicContact CZ2-CB 4.25Å; W40-K137 HydrophobicContact CG-CD 4.49Å
41I62.8Low53Low69 Ų6975.3 Ų75.335%0.35438%0.381SS..EExtended strand (participates in β ladder)trans-115.4129.2178-60.5-160.3000109.4V82 I84I41-V82 PolarHBondContact N-O 2.86Å; I41-V82 PolarHBondContact O-N 2.9Å; I41-I84 HydrophobicContact CB-CD1 3.82Å; I41-I84 HydrophobicContact CD1-CD1 3.9Å; I41-I84 HydrophobicContact CG1-CD1 4Å; I41-I84 HydrophobicContact CG2-CD1 4.34Å
42N61.5Low52Low98 Ų9880.1 Ų80.152%0.52441%0.413SS..EExtended strand (participates in β ladder)trans-77.6118.5167.7-67.1-19.5000108R81N42-R81 WeakPolarHBondContact OD1-CG 3.06Å; N42-R81 PolarHBondContact OD1-NE 3.4Å
43T51.8Low50.8Low11 Ų1180.4 Ų80.47%0.06742%0.423CS..EExtended strand (participates in β ladder)trans-127149.9179.3178.40000110.5L22 W24 C80 V82L22-T43 HydrophobicContact CD2-CG2 3.92Å; W24-T43 PolarHBondContact NE1-OG1 2.83Å; T43-C80 HydrophobicContact CG2-CB 4.46Å; T43-C80 PolarHBondContact N-O 2.85Å; T43-C80 PolarHBondContact O-N 3.27Å; T43-V82 HydrophobicContact CG2-CB 4.28Å; T43-V82 HydrophobicContact CG2-CG2 3.62Å
44S46.9Very low49.8Very low63 Ų6384.5 Ų84.544%0.44144%0.441SS..EExtended strand (participates in β ladder)trans-63.5140.2166.355.40000109.8K78S44-K78 CarbonylContact C-O 3.57Å; S44-K78 WeakPolarHBondContact CA-O 3.41Å
45C45.4Very low49Very low8 Ų881 Ų815%0.05442%0.419CS..EExtended strand (participates in β ladder)trans-140.3131177.4570000109.8T20 T77 K78 C80T20-C45 HydrophobicContact CG2-CB 3.94Å; C45-T77 WeakPolarHBondContact O-CA 3.04Å; C45-K78 PolarHBondContact N-O 3.13Å; C45-K78 PolarHBondContact O-N 3.04Å; C45-K78 PolarHBondContact SG-O 3.15Å; C45-C80 HydrophobicContact CB-CB 3.72Å; C45-C80 WeakPolarHBondContact CB-SG 3.29Å; C45-C80 WeakPolarHBondContact SG-CB 3.43Å; C45-C80 CovalentContact SG-SG 2.04Å; C45-C80 PolarHBondContact SG-SG 2.88Å
46T41.1Very low47.6Very low43 Ų4390.6 Ų90.626%0.26445%0.449SS..EExtended strand (participates in β ladder)trans-93.2118.3179.948.70000110.9V75T46-V75 HydrophobicContact CG2-CG1 3.81Å
47R43.3Very low45.9Very low73 Ų7390.2 Ų90.228%0.27545%0.448SS..EExtended strand (participates in β ladder)trans-105.5114.5176.1-171.6174.7-177.9163.13.4110.9R49 Q76 S151 Y152R47-R49 PolarHBondContact O-N 2.04Å; R47-Q76 PolarHBondContact N-O 3.42Å; R47-Q76 PolarHBondContact O-N 3.34Å; R47-S151 PolarHBondContact NH1-O 3.38Å; R47-Y152 PolarHBondContact NH2-O 3.31Å
48N39.5Very low44Very low100 Ų10087.2 Ų87.254%0.53544%0.441SS..EExtended strand (participates in β ladder)trans-73.4118170.8-69.1-7000110.3V73N48-V73 HydrophobicContact CB-CG1 4.01Å
49R37.9Very low42.6Very low126 Ų12695.2 Ų95.248%0.47547%0.473SS..EExtended strand (participates in β ladder)trans-113.2143166.4-78.2-176.2165-173.5-4.9109.9R47 C51 C74R47-R49 PolarHBondContact O-N 2.04Å; R49-C51 PolarHBondContact O-N 2.69Å; R49-C74 PolarHBondContact N-O 3.29Å; R49-C74 PolarHBondContact O-N 3.43Å
50R37.1Very low41.1Very low239 Ų239100.6 Ų100.690%0.90249%0.489SS*.EExtended strand (participates in β ladder)trans-67.2118.8154.8-74.6-176.2175.9-179.6-1.7106.3P52R50-P52 WeakPolarHBondContact O-CD 3.41Å
51C32.4Very low39.7Very low30 Ų30100.7 Ų100.720%0.20349%0.494CS..  trans-71.4127.5-176.4-36.70000110.3R49 C53 H72 C74R49-C51 PolarHBondContact O-N 2.69Å; C51-C53 VanDerWaalsContact C-N 3.3Å; C51-C53 PolarHBondContact O-N 3.44Å; C51-C53 VanDerWaalsContact O-N 3.09Å; C51-H72 PolarHBondContact SG-O 2.67Å; C51-H72 VanDerWaalsContact SG-O 3.38Å; C51-C74 HydrophobicContact CB-CB 4.21Å; C51-C74 WeakPolarHBondContact CB-SG 3.05Å; C51-C74 VanDerWaalsContact SG-CA 3.59Å; C51-C74 WeakPolarHBondContact SG-CB 3.44Å; C51-C74 PolarHBondContact SG-N 3.26Å; C51-C74 CovalentContact SG-SG 2.03Å; C51-C74 PolarHBondContact SG-SG 2.89Å
52P31Very low38.6Very low110 Ų110104.1 Ų104.171%0.71451%0.513SS*.  trans-76.586.7158.531.8-30.1000108.6R50 E54R50-P52 WeakPolarHBondContact O-CD 3.41Å; P52-E54 PolarHBondContact O-N 3.08Å
53C24.8Very low37.9Very low131 Ų131103.4 Ų103.489%0.88553%0.528SS*.SBendtrans47.6-4.9163-61.80000121.8C51C51-C53 VanDerWaalsContact C-N 3.3Å; C51-C53 PolarHBondContact O-N 3.44Å; C51-C53 VanDerWaalsContact O-N 3.09Å
54E28.3Very low37.4Very low162 Ų162106.6 Ų106.676%0.75755%0.548SS*.  trans-112.1108.1-179-70179.717500109.6P52 Y56P52-E54 PolarHBondContact O-N 3.08Å; E54-Y56 PolarHBondContact O-N 3.35Å
55T32.1Very low37.1Very low65 Ų65115.6 Ų115.640%0.39957%0.572SS.*  trans-88105.4-170.341.60000111.4Y57T55-Y57 VanDerWaalsContact C-N 3.27Å; T55-Y57 VanDerWaalsContact CB-CZ 3.47Å; T55-Y57 HydrophobicContact CG2-CE1 4.13Å; T55-Y57 HydrophobicContact CG2-CE2 3.94Å; T55-Y57 PolarHBondContact O-N 3.22Å; T55-Y57 WeakPolarHBondContact OG1-CE2 3.06Å
56Y32.2Very low37Very low226 Ų226118.3 Ų118.389%0.88659%0.586SS**  trans-69.189.2158-82.4-95.5000108.9E54E54-Y56 PolarHBondContact O-N 3.35Å
57Y32.3Very low36.9Very low90 Ų90120.4 Ų120.435%0.35360%0.6SS.*  trans-82.8153.6166.3-68.1-52.7000110.1T55 L61 L66T55-Y57 VanDerWaalsContact C-N 3.27Å; T55-Y57 VanDerWaalsContact CB-CZ 3.47Å; T55-Y57 HydrophobicContact CG2-CE1 4.13Å; T55-Y57 HydrophobicContact CG2-CE2 3.94Å; T55-Y57 PolarHBondContact O-N 3.22Å; T55-Y57 WeakPolarHBondContact OG1-CE2 3.06Å; Y57-L61 HydrophobicContact CD1-CD1 4.16Å; Y57-L61 HydrophobicContact CG-CB 4.33Å; Y57-L66 HydrophobicContact CD1-CD1 3.87Å; Y57-L66 HydrophobicContact CE1-CD1 3.27Å; Y57-L66 HydrophobicContact CE2-CD1 4.12Å; Y57-L66 VanDerWaalsContact CZ-CD1 3.41Å
58S34.4Very low36.6Very low51 Ų51128.9 Ų128.936%0.35763%0.632SS.*  trans-64.4160.6168.568.90000110.1E60 L61S58-E60 WeakPolarHBondContact CB-OE2 3.15Å; S58-E60 PolarHBondContact O-N 3.08Å; S58-E60 VanDerWaalsContact O-N 3.15Å; S58-E60 PolarHBondContact OG-OE2 3.01Å; S58-L61 PolarHBondContact O-N 3.36Å
59K43.2Very low36.5Very low190 Ų190131.1 Ų131.183%0.82664%0.636SS**G310 helixtrans-59-26.6177.7-74.4-175176.2-178.60112.4L61 L62K59-L61 PolarHBondContact O-N 3.05Å; K59-L62 HydrophobicContact CB-CD1 4.32Å; K59-L62 HydrophobicContact CG-CD1 4.26Å; K59-L62 PolarHBondContact O-N 3.02Å
60E37.4Very low36.5Very low166 Ų166135.8 Ų135.878%0.77666%0.66SS**G310 helixtrans-69.4-16.9177-50.8107.717900113.7S58S58-E60 WeakPolarHBondContact CB-OE2 3.15Å; S58-E60 PolarHBondContact O-N 3.08Å; S58-E60 VanDerWaalsContact O-N 3.15Å; S58-E60 PolarHBondContact OG-OE2 3.01Å
61L39.2Very low36.6Very low63 Ų63128.8 Ų128.833%0.3365%0.648SS.*G310 helixtrans-102.42.4-178-72.2172.3000113.2Y57 S58 K59 G63 V64Y57-L61 HydrophobicContact CD1-CD1 4.16Å; Y57-L61 HydrophobicContact CG-CB 4.33Å; S58-L61 PolarHBondContact O-N 3.36Å; K59-L61 PolarHBondContact O-N 3.05Å; L61-G63 PolarHBondContact O-N 2.71Å; L61-V64 HydrophobicContact CD2-CB 4.42Å; L61-V64 HydrophobicContact CD2-CG2 4.12Å; L61-V64 PolarHBondContact O-N 2.91Å
62L39.8Very low36.8Very low142 Ų142131.4 Ų131.474%0.74366%0.657SS**THydrogen-bonded Turntrans-66.694.2172.2-73.5168.9000110.4K59K59-L62 HydrophobicContact CB-CD1 4.32Å; K59-L62 HydrophobicContact CG-CD1 4.26Å; K59-L62 PolarHBondContact O-N 3.02Å
63G46.7Very low37.1Very low82 Ų82130.4 Ų130.485%0.84565%0.649SS**THydrogen-bonded Turntrans132.1-14.9179.100000114.2L61 R65L61-G63 PolarHBondContact O-N 2.71Å; G63-R65 PolarHBondContact O-N 2.92Å
64V40.3Very low37.5Very low79 Ų79126 Ų12648%0.47962%0.619SS.*  trans-82.8119179.9-174.10000110.5L61 L66L61-V64 HydrophobicContact CD2-CB 4.42Å; L61-V64 HydrophobicContact CD2-CG2 4.12Å; L61-V64 PolarHBondContact O-N 2.91Å; V64-L66 VanDerWaalsContact C-N 3.33Å; V64-L66 HydrophobicContact CB-CG 4.43Å; V64-L66 HydrophobicContact CG1-CD2 4.03Å; V64-L66 HydrophobicContact CG1-CG 4.02Å; V64-L66 PolarHBondContact O-N 2.89Å
65R41.6Very low38Very low252 Ų252122.3 Ų122.395%0.95161%0.607SS**  trans-7086.3169.8-86.8-172.8172.7-179.7-0.1110.5G63G63-R65 PolarHBondContact O-N 2.92Å
66L41.8Very low38.4Very low65 Ų65123.2 Ų123.234%0.3461%0.607SS.*  trans-76.3140.9176.9-71.8167.1000112.1Y57 V64 R68Y57-L66 HydrophobicContact CD1-CD1 3.87Å; Y57-L66 HydrophobicContact CE1-CD1 3.27Å; Y57-L66 HydrophobicContact CE2-CD1 4.12Å; Y57-L66 VanDerWaalsContact CZ-CD1 3.41Å; V64-L66 VanDerWaalsContact C-N 3.33Å; V64-L66 HydrophobicContact CB-CG 4.43Å; V64-L66 HydrophobicContact CG1-CD2 4.03Å; V64-L66 HydrophobicContact CG1-CG 4.02Å; V64-L66 PolarHBondContact O-N 2.89Å; L66-R68 PolarHBondContact O-N 2.86Å
67P38.7Very low38.9Very low86 Ų86116.9 Ų116.956%0.55859%0.592SS**  trans-65.8131.1-177.724.6-32.9000112K69 H72P67-K69 PolarHBondContact O-N 3.27Å; P67-H72 PolarHBondContact O-NE2 3.25Å; P67-H72 VanDerWaalsContact O-NE2 3.17Å
68R37.3Very low39.8Very low252 Ų252117.4 Ų117.495%0.95160%0.596SS**  trans-70.268.4177.8-70.3-178.5172.1175.8-3.3112.3L66L66-R68 PolarHBondContact O-N 2.86Å
69K38.3Very low40.5Very low146 Ų146119.2 Ų119.264%0.63561%0.609SS**  trans-80.2132.1167.7-73.3-171.4174.8-178.60110.3P67 S71 H72P67-K69 PolarHBondContact O-N 3.27Å; K69-S71 PolarHBondContact O-N 3.36Å; K69-H72 PolarHBondContact O-CD2 3.13Å
70K38.6Very low41.2Very low225 Ų225112.5 Ų112.598%0.97859%0.585SS**THydrogen-bonded Turntrans-69.314.8-179.2-71.5-176.7174.1178.90114.8
71S38.8Very low42.4Very low91 Ų91110.1 Ų110.164%0.63657%0.569SS**THydrogen-bonded Turntrans-134.624.9-167.965.60000113.6K69 V73K69-S71 PolarHBondContact O-N 3.36Å; S71-V73 PolarHBondContact O-N 2.99Å
72H36.5Very low43.7Very low85 Ų85107.4 Ų107.439%0.39456%0.555SS.*PPolyproline II helixtrans-66.8128.2174-72.9-61.3000110.7C51 P67 K69C51-H72 PolarHBondContact SG-O 2.67Å; C51-H72 VanDerWaalsContact SG-O 3.38Å; P67-H72 PolarHBondContact O-NE2 3.25Å; P67-H72 VanDerWaalsContact O-NE2 3.17Å; K69-H72 PolarHBondContact O-CD2 3.13Å
73V37Very low45.2Very low90 Ų90100.7 Ų100.755%0.54552%0.52SS..EExtended strand (participates in β ladder)trans-102.3116.5173.9178.30000107.6N48 S71 V75N48-V73 HydrophobicContact CB-CG1 4.01Å; S71-V73 PolarHBondContact O-N 2.99Å; V73-V75 PolarHBondContact O-N 2.84Å
74C34Very low46.4Very low38 Ų3897 Ų9726%0.25748%0.48SS..EExtended strand (participates in β ladder)trans-84.1116.6175.8-71.50000108.2R49 C51R49-C74 PolarHBondContact N-O 3.29Å; R49-C74 PolarHBondContact O-N 3.43Å; C51-C74 HydrophobicContact CB-CB 4.21Å; C51-C74 WeakPolarHBondContact CB-SG 3.05Å; C51-C74 VanDerWaalsContact SG-CA 3.59Å; C51-C74 WeakPolarHBondContact SG-CB 3.44Å; C51-C74 PolarHBondContact SG-N 3.26Å; C51-C74 CovalentContact SG-SG 2.03Å; C51-C74 PolarHBondContact SG-SG 2.89Å
75V38.8Very low48.1Very low85 Ų8593.2 Ų93.252%0.51546%0.458SS..EExtended strand (participates in β ladder)trans-91.5104.8170.7-172.30000107.4T46 V73T46-V75 HydrophobicContact CG2-CG1 3.81Å; V73-V75 PolarHBondContact O-N 2.84Å
76Q39.4Very low49.6Very low83 Ų8381.2 Ų81.239%0.38841%0.412SS..EExtended strand (participates in β ladder)trans-94.4114.8173.5-171.2177.525.200109.5R47 K78R47-Q76 PolarHBondContact N-O 3.42Å; R47-Q76 PolarHBondContact O-N 3.34Å; Q76-K78 VanDerWaalsContact CD-CE 3.43Å; Q76-K78 HydrophobicContact CG-CG 4.15Å
77T43.8Very low51.2Low93 Ų9378.8 Ų78.857%0.57140%0.401SS*.EExtended strand (participates in β ladder)trans-72.6130166.6-49.40000109.2C45C45-T77 WeakPolarHBondContact O-CA 3.04Å
78K49.7Very low52.9Low102 Ų10275.9 Ų75.944%0.44338%0.38SS..EExtended strand (participates in β ladder)trans-130.3167171.5-69.4-159.8172.2-1560110.2S44 C45 Q76S44-K78 CarbonylContact C-O 3.57Å; S44-K78 WeakPolarHBondContact CA-O 3.41Å; C45-K78 PolarHBondContact N-O 3.13Å; C45-K78 PolarHBondContact O-N 3.04Å; C45-K78 PolarHBondContact SG-O 3.15Å; Q76-K78 VanDerWaalsContact CD-CE 3.43Å; Q76-K78 HydrophobicContact CG-CG 4.15Å
79S50.5Low54.7Low89 Ų8965.6 Ų65.662%0.62235%0.346SS*.EExtended strand (participates in β ladder)trans-83.2131162.2-174.20000109.2
80C57.6Low56.4Low48 Ų4864.6 Ų64.632%0.32434%0.343SS..EExtended strand (participates in β ladder)trans-118.6134.4172.8-75.90000109.4T43 C45 V82T43-C80 HydrophobicContact CG2-CB 4.46Å; T43-C80 PolarHBondContact N-O 2.85Å; T43-C80 PolarHBondContact O-N 3.27Å; C45-C80 HydrophobicContact CB-CB 3.72Å; C45-C80 WeakPolarHBondContact CB-SG 3.29Å; C45-C80 WeakPolarHBondContact SG-CB 3.43Å; C45-C80 CovalentContact SG-SG 2.04Å; C45-C80 PolarHBondContact SG-SG 2.88Å; C80-V82 HydrophobicContact CB-CG2 4.48Å
81R62.9Low58Low117 Ų11759.1 Ų59.144%0.44232%0.324SS..EExtended strand (participates in β ladder)trans-82.4116168.4-78.2-178.6161-168.7-21.7108.9W40 N42 E141W40-R81 HydrophobicContact CE3-CB 4.23Å; W40-R81 HydrophobicContact CZ3-CB 4.41Å; N42-R81 WeakPolarHBondContact OD1-CG 3.06Å; N42-R81 PolarHBondContact OD1-NE 3.4Å; R81-E141 IonicContact CZ-OE1 3.52Å; R81-E141 IonicContact CZ-OE2 3.86Å; R81-E141 IonicContact NH1-OE1 2.68Å; R81-E141 PolarHBondContact NH1-OE1 2.67Å; R81-E141 IonicContact NH1-OE2 2.88Å; R81-E141 PolarHBondContact NH1-OE2 3.5Å; R81-E141 VanDerWaalsContact NH1-OE2 3.08Å; R81-E141 IonicContact NH2-OE1 2.69Å; R81-E141 PolarHBondContact NH2-OE1 3.39Å; R81-E141 IonicContact NH2-OE2 3.72Å
82V65.2Low59.5Low6 Ų658.4 Ų58.44%0.03633%0.33CS..EExtended strand (participates in β ladder)trans-117.9132.3177.6-1790000109.2M16 W24 I41 T43 C80 I84 V123M16-V82 HydrophobicContact SD-CG1 4Å; M16-V82 HydrophobicContact SD-CG2 4.34Å; W24-V82 HydrophobicContact CH2-CG1 3.94Å; W24-V82 HydrophobicContact CZ2-CB 4.26Å; W24-V82 HydrophobicContact CZ2-CG1 3.9Å; I41-V82 PolarHBondContact N-O 2.86Å; I41-V82 PolarHBondContact O-N 2.9Å; T43-V82 HydrophobicContact CG2-CB 4.28Å; T43-V82 HydrophobicContact CG2-CG2 3.62Å; C80-V82 HydrophobicContact CB-CG2 4.48Å; V82-I84 HydrophobicContact CG1-CG1 4.11Å; V82-V123 HydrophobicContact CG1-CG2 3.61Å
83L71.4Confident61.3Low0 Ų056.9 Ų56.90%033%0.33CS..EExtended strand (participates in β ladder)trans-81.3118.9172.2-178.662.3000108.5C38 W40 P124 T129 Y133C38-L83 HydrophobicContact CB-CD1 3.84Å; C38-L83 HydrophobicContact CB-CG 4.42Å; W40-L83 HydrophobicContact CD2-CB 4.35Å; W40-L83 HydrophobicContact CD2-CD1 4.19Å; W40-L83 HydrophobicContact CE3-CB 4.07Å; W40-L83 HydrophobicContact CG-CD1 4.41Å; W40-L83 HydrophobicContact CH2-CB 4.38Å; W40-L83 HydrophobicContact CZ3-CB 4.11Å; L83-P124 HydrophobicContact CB-CG 4.46Å; L83-P124 HydrophobicContact CD2-CG 3.72Å; L83-P124 HydrophobicContact CG-CG 4Å; L83-P124 WeakPolarHBondContact O-CD 3.41Å; L83-T129 HydrophobicContact CD2-CG2 4.05Å; L83-Y133 HydrophobicContact CD1-CG 4.11Å; L83-Y133 HydrophobicContact CD2-CD2 4.04Å; L83-Y133 HydrophobicContact CD2-CG 4.22Å
84I72.1Confident62.9Low4 Ų460.5 Ų60.52%0.02135%0.346CS..EExtended strand (participates in β ladder)trans-114.7124180-61.9174.3000107.6W24 I26 C38 A39 I41 V82 V121 V123W24-I84 HydrophobicContact CD2-CD1 4.22Å; W24-I84 HydrophobicContact CE3-CD1 4Å; W24-I84 HydrophobicContact CH2-CD1 3.21Å; W24-I84 HydrophobicContact CH2-CG1 3.39Å; W24-I84 HydrophobicContact CZ2-CD1 3.46Å; W24-I84 VanDerWaalsContact CZ2-CD1 3.46Å; W24-I84 HydrophobicContact CZ2-CG1 4.01Å; W24-I84 HydrophobicContact CZ3-CD1 3.46Å; W24-I84 VanDerWaalsContact CZ3-CD1 3.46Å; W24-I84 HydrophobicContact CZ3-CG1 3.79Å; W24-I84 HydrophobicContact CZ3-CG2 4.42Å; I26-I84 HydrophobicContact CD1-CD1 4.07Å; I26-I84 HydrophobicContact CD1-CG2 4.25Å; C38-I84 CarbonylContact C-O 3.59Å; C38-I84 WeakPolarHBondContact CA-O 3.24Å; A39-I84 PolarHBondContact N-O 3.27Å; A39-I84 PolarHBondContact O-N 2.87Å; I41-I84 HydrophobicContact CB-CD1 3.82Å; I41-I84 HydrophobicContact CD1-CD1 3.9Å; I41-I84 HydrophobicContact CG1-CD1 4Å; I41-I84 HydrophobicContact CG2-CD1 4.34Å; V82-I84 HydrophobicContact CG1-CG1 4.11Å; I84-V121 HydrophobicContact CG2-CG1 3.63Å; I84-V123 HydrophobicContact CG1-CG2 4.46Å
85C75.8Confident64.5Low0 Ų062.7 Ų62.70%035%0.354CS..EExtended strand (participates in β ladder)trans-107.3152.9176.5-70.20000110.7K37 C38 V121 Y122K37-C85 CarbonylContact O-C 3.52Å; K37-C85 WeakPolarHBondContact O-CA 3.08Å; C38-C85 HydrophobicContact CB-CB 4.03Å; C38-C85 WeakPolarHBondContact CB-SG 3.16Å; C38-C85 VanDerWaalsContact SG-CA 3.57Å; C38-C85 WeakPolarHBondContact SG-CB 3.1Å; C38-C85 CovalentContact SG-SG 2.04Å; C38-C85 PolarHBondContact SG-SG 3.42Å; C85-V121 WeakPolarHBondContact O-CA 3.44Å; C85-Y122 HydrophobicContact CB-CD1 4.09Å; C85-Y122 HydrophobicContact CB-CD2 4.06Å; C85-Y122 HydrophobicContact CB-CE1 3.63Å; C85-Y122 HydrophobicContact CB-CE2 3.59Å; C85-Y122 HydrophobicContact CB-CG 4.3Å; C85-Y122 PolarHBondContact N-O 2.82Å; C85-Y122 PolarHBondContact O-N 2.77Å; C85-Y122 VanDerWaalsContact O-O 3.1Å
86S74Confident65.9Low0 Ų062.3 Ų62.30%035%0.349CS..EExtended strand (participates in β ladder)trans-132.2147.1165-169.20000110.9L31 R36 K37 Y105 L120L31-S86 WeakPolarHBondContact CD1-OG 3.28Å; R36-S86 WeakPolarHBondContact CA-O 2.86Å; K37-S86 PolarHBondContact N-O 3.2Å; K37-S86 VanDerWaalsContact N-O 3.12Å; K37-S86 PolarHBondContact O-N 2.89Å; S86-Y105 PolarHBondContact OG-OH 3.44Å; S86-L120 CarbonylContact C-O 3.55Å; S86-L120 WeakPolarHBondContact CA-O 3.48Å; S86-L120 WeakPolarHBondContact CB-O 3.42Å; S86-L120 PolarHBondContact OG-O 3.17Å
87S74.5Confident67.2Low14 Ų1463.6 Ų63.610%0.09837%0.367CS..EExtended strand (participates in β ladder)trans-152.1145.8178.357.10000110L120 Y122S87-L120 PolarHBondContact N-O 2.9Å; S87-L120 PolarHBondContact O-N 3.22Å; S87-Y122 WeakPolarHBondContact OG-CE1 3.42Å
88I75.7Confident68.2Low25 Ų2561.5 Ų61.513%0.12835%0.353CS..EExtended strand (participates in β ladder)trans-86.1136.2168.2-68.3168.2000108.8L31 V107 L117L31-I88 HydrophobicContact CB-CD1 3.73Å; L31-I88 HydrophobicContact CB-CG1 4.17Å; L31-I88 HydrophobicContact CD1-CG1 4.23Å; L31-I88 WeakPolarHBondContact O-CD1 3.4Å; I88-V107 HydrophobicContact CD1-CG1 4.04Å; I88-V107 HydrophobicContact CD1-CG2 4Å; I88-V107 HydrophobicContact CG1-CG2 3.85Å; I88-V107 HydrophobicContact CG2-CG2 3.97Å; I88-L117 HydrophobicContact CG2-CB 3.89Å; I88-L117 HydrophobicContact CG2-CD1 4.04Å; I88-L117 HydrophobicContact CG2-CD2 4.06Å; I88-L117 HydrophobicContact CG2-CG 4.22Å
89V73.6Confident68.9Low37 Ų3759.8 Ų59.822%0.22435%0.345CS..EExtended strand (participates in β ladder)trans-136.1159.9177.9-60.10000110.1L117 I118V89-L117 WeakPolarHBondContact O-CA 3.15Å; V89-I118 HydrophobicContact CG2-CG2 3.62Å; V89-I118 PolarHBondContact N-O 3.03Å; V89-I118 PolarHBondContact O-N 3.23Å
90H75.3Confident69.7Low124 Ų12457.2 Ų57.257%0.57432%0.324SS*.EExtended strand (participates in β ladder)trans-69145.2173.3-70.9-73.8000111.5G92 S93 N116 L117H90-G92 PolarHBondContact O-N 3.37Å; H90-S93 PolarHBondContact N-OG 3.15Å; H90-S93 VanDerWaalsContact O-CB 3.25Å; H90-S93 WeakPolarHBondContact O-CB 3.47Å; H90-S93 PolarHBondContact O-N 3.48Å; H90-S93 PolarHBondContact O-OG 3.49Å; H90-N116 CarbonylContact C-O 3.52Å; H90-N116 VanDerWaalsContact CA-O 3.29Å; H90-N116 WeakPolarHBondContact CA-O 3.35Å; H90-L117 WeakPolarHBondContact ND1-CD2 3.47Å
91L71.3Confident70.1Confident111 Ų11157.2 Ų57.258%0.58133%0.328SS*.THydrogen-bonded Turntrans-57.7128.8172.8-174.467000109.6N116L91-N116 PolarHBondContact N-O 3.32Å
92G70.5Confident70.1Confident75 Ų7554.7 Ų54.777%0.77332%0.323SS*.THydrogen-bonded Turntrans84.60.8-174.800000115.6H90H90-G92 PolarHBondContact O-N 3.37Å
93S73.6Confident70.1Confident54 Ų5458 Ų5838%0.37834%0.336SS..PPolyproline II helixtrans-60.2139.8172.7-58.30000112H90 I95H90-S93 PolarHBondContact N-OG 3.15Å; H90-S93 VanDerWaalsContact O-CB 3.25Å; H90-S93 WeakPolarHBondContact O-CB 3.47Å; H90-S93 PolarHBondContact O-N 3.48Å; H90-S93 PolarHBondContact O-OG 3.49Å; S93-I95 PolarHBondContact O-N 2.8Å
94N72.3Confident70Confident165 Ų16561.6 Ų61.688%0.88236%0.359SS*.PPolyproline II helixtrans-68.7130.7169.3-72.7-33000110.5
95I66.9Low69.7Low84 Ų8462.8 Ų62.843%0.43136%0.363SS..PPolyproline II helixtrans-87.3121.9172.4-58.3179.1000107.7S93 K99 A101 L120S93-I95 PolarHBondContact O-N 2.8Å; I95-K99 HydrophobicContact CG2-CB 3.92Å; I95-A101 HydrophobicContact CD1-CB 3.97Å; I95-L120 HydrophobicContact CD1-CD1 3.97Å; I95-L120 HydrophobicContact CD1-CD2 4.11Å; I95-L120 HydrophobicContact CG1-CD2 4.34Å; I95-L120 HydrophobicContact CG2-CD2 4.44Å
96D68.2Low69.4Low77 Ų7770.8 Ų70.841%0.41240%0.398SS..PPolyproline II helixtrans-60.6138.2175.9-173.7-15.9000110.8N98 K99D96-N98 VanDerWaalsContact CB-OD1 3.31Å; D96-N98 WeakPolarHBondContact CB-OD1 3.39Å; D96-N98 PolarHBondContact O-N 3.04Å; D96-N98 PolarHBondContact OD1-N 3.49Å; D96-N98 VanDerWaalsContact OD1-N 3.14Å; D96-N98 VanDerWaalsContact OD2-CG 3.23Å; D96-N98 PolarHBondContact OD2-ND2 2.82Å; D96-N98 PolarHBondContact OD2-OD1 3.01Å; D96-K99 PolarHBondContact O-N 3.26Å
97S67.2Low69.1Low111 Ų11171.8 Ų71.878%0.77640%0.404SS*.THydrogen-bonded Turntrans-51.3-19.1174.565.70000115.1K99S97-K99 VanDerWaalsContact C-N 3.26Å; S97-K99 PolarHBondContact O-N 2.87Å
98N63.2Low68.5Low48 Ų4880.5 Ų80.526%0.25744%0.443SS..THydrogen-bonded Turntrans-81.710.4171.765.321.1000114.5D96 L125 D126D96-N98 VanDerWaalsContact CB-OD1 3.31Å; D96-N98 WeakPolarHBondContact CB-OD1 3.39Å; D96-N98 PolarHBondContact O-N 3.04Å; D96-N98 PolarHBondContact OD1-N 3.49Å; D96-N98 VanDerWaalsContact OD1-N 3.14Å; D96-N98 VanDerWaalsContact OD2-CG 3.23Å; D96-N98 PolarHBondContact OD2-ND2 2.82Å; D96-N98 PolarHBondContact OD2-OD1 3.01Å; N98-L125 WeakPolarHBondContact O-CA 3.4Å; N98-L125 VanDerWaalsContact O-CB 3.25Å; N98-L125 WeakPolarHBondContact O-CB 3.41Å; N98-L125 PolarHBondContact O-N 2.04Å; N98-D126 HydrophobicContact CB-CB 4.2Å
99K65.4Low67.8Low66 Ų6683.1 Ų83.129%0.28746%0.457SS..EExtended strand (participates in β ladder)trans-127.2124175.8-61.4173.8-170.6168.30110.8I95 D96 S97 A101 Y122I95-K99 HydrophobicContact CG2-CB 3.92Å; D96-K99 PolarHBondContact O-N 3.26Å; S97-K99 VanDerWaalsContact C-N 3.26Å; S97-K99 PolarHBondContact O-N 2.87Å; K99-A101 PolarHBondContact O-N 3.39Å; K99-Y122 HydrophobicContact CB-CD2 3.69Å; K99-Y122 HydrophobicContact CB-CE2 4.3Å; K99-Y122 HydrophobicContact CB-CG 4.2Å; K99-Y122 HydrophobicContact CD-CD2 3.86Å; K99-Y122 HydrophobicContact CD-CE2 3.69Å; K99-Y122 HydrophobicContact CD-CG 4.37Å; K99-Y122 HydrophobicContact CG-CD2 3.52Å; K99-Y122 HydrophobicContact CG-CE2 3.6Å; K99-Y122 HydrophobicContact CG-CG 4.33Å
100L67.6Low66.7Low35 Ų3593.4 Ų93.418%0.18349%0.492CS..EExtended strand (participates in β ladder)trans-86100.7165.5179.268.9000108.4I17 I102 Y122 V123 L125I17-L100 HydrophobicContact CD1-CD1 4.48Å; I17-L100 HydrophobicContact CG1-CD1 4.13Å; I17-L100 HydrophobicContact CG1-CD2 4.15Å; I17-L100 HydrophobicContact CG2-CD1 3.77Å; I17-L100 HydrophobicContact CG2-CD2 4.48Å; L100-I102 HydrophobicContact CD2-CD1 4.14Å; L100-I102 HydrophobicContact CD2-CG1 4.28Å; L100-I102 HydrophobicContact CG-CD1 4.3Å; L100-I102 HydrophobicContact CG-CG1 4.08Å; L100-I102 WeakPolarHBondContact O-CG1 3.02Å; L100-Y122 CarbonylContact O-C 3.58Å; L100-Y122 WeakPolarHBondContact O-CA 3.08Å; L100-Y122 WeakPolarHBondContact O-CB 3.33Å; L100-V123 HydrophobicContact CB-CB 4.28Å; L100-V123 PolarHBondContact N-O 3.02Å; L100-V123 PolarHBondContact O-N 3.42Å; L100-L125 HydrophobicContact CB-CD1 4.15Å; L100-L125 HydrophobicContact CB-CD2 4.07Å; L100-L125 HydrophobicContact CB-CG 4.22Å
101A66.1Low66Low49 Ų4990.5 Ų90.541%0.40548%0.483SS..EExtended strand (participates in β ladder)trans-66.4133.9172.500000111I95 K99 L120I95-A101 HydrophobicContact CD1-CB 3.97Å; K99-A101 PolarHBondContact O-N 3.39Å; A101-L120 HydrophobicContact CB-CD1 3.78Å
102I62.7Low65.5Low64 Ų6490.4 Ų90.433%0.32848%0.483SS..EExtended strand (participates in β ladder)trans-128.1-37.4-172.1-64.8161.3000112.2W24 L100 V121 V123W24-I102 HydrophobicContact CE3-CB 4.5Å; W24-I102 HydrophobicContact CE3-CD1 4.18Å; W24-I102 HydrophobicContact CE3-CG2 3.56Å; W24-I102 HydrophobicContact CH2-CD1 3.7Å; W24-I102 HydrophobicContact CZ3-CB 4.28Å; W24-I102 HydrophobicContact CZ3-CD1 3.29Å; W24-I102 HydrophobicContact CZ3-CG1 4.28Å; W24-I102 HydrophobicContact CZ3-CG2 3.8Å; L100-I102 HydrophobicContact CD2-CD1 4.14Å; L100-I102 HydrophobicContact CD2-CG1 4.28Å; L100-I102 HydrophobicContact CG-CD1 4.3Å; L100-I102 HydrophobicContact CG-CG1 4.08Å; L100-I102 WeakPolarHBondContact O-CG1 3.02Å; I102-V121 PolarHBondContact N-O 2.78Å; I102-V123 HydrophobicContact CD1-CB 4.04Å; I102-V123 HydrophobicContact CD1-CG2 3.49Å; I102-V123 VanDerWaalsContact CD1-CG2 3.49Å
103K64.3Low65.1Low74 Ų7494.1 Ų94.132%0.32248%0.48SS..EExtended strand (participates in β ladder)trans-143.8147.8171.4-168.2-174-177.1-164.40109.1I26 D28 V121I26-K103 PolarHBondContact O-NZ 2.98Å; D28-K103 VanDerWaalsContact CG-NZ 3.33Å; D28-K103 WeakPolarHBondContact OD1-CE 3.48Å; D28-K103 IonicContact OD1-NZ 3.44Å; D28-K103 PolarHBondContact OD1-NZ 3.23Å; D28-K103 IonicContact OD2-NZ 2.77Å; D28-K103 PolarHBondContact OD2-NZ 3.48Å; K103-V121 HydrophobicContact CB-CB 4.13Å; K103-V121 HydrophobicContact CB-CG2 4.37Å; K103-V121 PolarHBondContact N-O 3.16Å; K103-V121 PolarHBondContact O-N 2.89Å
104T69.7Low64.6Low77 Ų7792.1 Ų92.147%0.47247%0.467SS..EExtended strand (participates in β ladder)trans-119.4151.1162.252.90000109.9I118 G119 L120T104-I118 HydrophobicContact CG2-CD1 4.09Å; T104-G119 CarbonylContact C-O 3.52Å; T104-G119 WeakPolarHBondContact CA-O 3.39Å; T104-L120 HydrophobicContact CG2-CD1 3.78Å
105Y66.2Low64.3Low29 Ų2993.1 Ų93.111%0.11446%0.458CS..EExtended strand (participates in β ladder)trans-141.7153.8179.862.1-79.7000110.3D28 I29 L31 S86 I118 G119 V121D28-Y105 HydrophobicContact CB-CD2 4.37Å; D28-Y105 WeakPolarHBondContact OD1-CB 3.44Å; I29-Y105 PolarHBondContact O-OH 3.46Å; L31-Y105 WeakPolarHBondContact CD1-OH 3.43Å; S86-Y105 PolarHBondContact OG-OH 3.44Å; Y105-I118 WeakPolarHBondContact O-CG1 3.4Å; Y105-G119 WeakPolarHBondContact CD1-O 3.35Å; Y105-G119 VanDerWaalsContact CE1-C 3.48Å; Y105-G119 VanDerWaalsContact CE1-CA 3.48Å; Y105-G119 PolarHBondContact N-O 2.81Å; Y105-G119 PolarHBondContact O-N 3.49Å; Y105-V121 HydrophobicContact CD1-CG2 4.12Å; Y105-V121 HydrophobicContact CE1-CG2 3.85Å
106K69.1Low64.6Low167 Ų16793.8 Ų93.873%0.72646%0.463SS*.EExtended strand (participates in β ladder)trans-73.2140174.4-69.4-175.7178.7-179.90109.2E108K106-E108 PolarHBondContact O-N 2.63Å
107V67.6Low64.9Low21 Ų2191.1 Ų91.113%0.12745%0.448CS..  trans-80106.2172.1-177.50000108I88 N109 L117I88-V107 HydrophobicContact CD1-CG1 4.04Å; I88-V107 HydrophobicContact CD1-CG2 4Å; I88-V107 HydrophobicContact CG1-CG2 3.85Å; I88-V107 HydrophobicContact CG2-CG2 3.97Å; V107-N109 VanDerWaalsContact C-N 3.32Å; V107-N109 HydrophobicContact CG1-CB 4.44Å; V107-N109 PolarHBondContact O-N 2.82Å; V107-L117 HydrophobicContact CB-CB 4.25Å; V107-L117 HydrophobicContact CG2-CB 3.97Å
108E62.5Low65.2Low197 Ų19787.9 Ų87.992%0.92142%0.422SS*.  trans-7585.1174-67.1-169.1168.300110.4K106K106-E108 PolarHBondContact O-N 2.63Å
109N60.4Low65.6Low80 Ų8085.6 Ų85.643%0.42841%0.41SS..  trans-134.6145.2165-160.3-8.7000109.5V107 T111 S114V107-N109 VanDerWaalsContact C-N 3.32Å; V107-N109 HydrophobicContact CG1-CB 4.44Å; V107-N109 PolarHBondContact O-N 2.82Å; N109-T111 VanDerWaalsContact C-N 3.34Å; N109-T111 PolarHBondContact O-N 3.26Å; N109-S114 WeakPolarHBondContact O-CB 3.33Å; N109-S114 PolarHBondContact O-OG 2.72Å
110R51.8Low65.9Low253 Ų25382.7 Ų82.796%0.95540%0.397SS*.SBendtrans-90.314-165.6-68.3-177.3176.5168.5-1.7114.9
111T60.6Low66Low63 Ų6381 Ų8139%0.38739%0.388SS..SBendtrans-94.8148.517655.50000111.1N109 E113 S114N109-T111 VanDerWaalsContact C-N 3.34Å; N109-T111 PolarHBondContact O-N 3.26Å; T111-E113 PolarHBondContact O-N 2.89Å; T111-S114 WeakPolarHBondContact O-CB 3.33Å; T111-S114 PolarHBondContact O-N 2.88Å; T111-S114 PolarHBondContact O-OG 2.91Å
112D60.4Low66.1Low110 Ų11078.9 Ų78.959%0.58837%0.37SS*.G310 helixtrans-62.7-25.4-179.3-73.7-39.3000113.6S114 R115D112-S114 PolarHBondContact O-N 3.15Å; D112-R115 WeakPolarHBondContact O-CB 3.46Å; D112-R115 WeakPolarHBondContact O-CG 3.37Å; D112-R115 PolarHBondContact O-N 2.86Å; D112-R115 IonicContact OD1-CZ 3.08Å; D112-R115 IonicContact OD1-NE 3.36Å; D112-R115 PolarHBondContact OD1-NE 2.95Å; D112-R115 IonicContact OD1-NH2 3.77Å; D112-R115 PolarHBondContact OD1-NH2 3.44Å
113E61.8Low66.5Low152 Ų15275.9 Ų75.971%0.7135%0.354SS*.G310 helixtrans-60.4-31.1172.1-60.1-178.3155.300112.9T111 R115 N116T111-E113 PolarHBondContact O-N 2.89Å; E113-R115 VanDerWaalsContact C-N 3.27Å; E113-R115 PolarHBondContact O-N 2.92Å; E113-N116 PolarHBondContact O-N 3.12Å
114S62.7Low66.8Low13 Ų1372.3 Ų72.39%0.09134%0.339CS..G310 helixtrans-68.8-25.1-178.683.60000113.1N109 T111 D112 N116 L117N109-S114 WeakPolarHBondContact O-CB 3.33Å; N109-S114 PolarHBondContact O-OG 2.72Å; T111-S114 WeakPolarHBondContact O-CB 3.33Å; T111-S114 PolarHBondContact O-N 2.88Å; T111-S114 PolarHBondContact O-OG 2.91Å; D112-S114 PolarHBondContact O-N 3.15Å; S114-N116 PolarHBondContact O-N 3.17Å; S114-N116 VanDerWaalsContact O-N 3.12Å; S114-L117 WeakPolarHBondContact O-CB 3.42Å; S114-L117 PolarHBondContact O-N 2.99Å
115R65.5Low66.5Low186 Ų18669.5 Ų69.570%0.70232%0.321SS*.G310 helixtrans-59.7-27.3-179.1-59.5-175.9-171.2-158.65.6112.1D112 E113D112-R115 WeakPolarHBondContact O-CB 3.46Å; D112-R115 WeakPolarHBondContact O-CG 3.37Å; D112-R115 PolarHBondContact O-N 2.86Å; D112-R115 IonicContact OD1-CZ 3.08Å; D112-R115 IonicContact OD1-NE 3.36Å; D112-R115 PolarHBondContact OD1-NE 2.95Å; D112-R115 IonicContact OD1-NH2 3.77Å; D112-R115 PolarHBondContact OD1-NH2 3.44Å; E113-R115 VanDerWaalsContact C-N 3.27Å; E113-R115 PolarHBondContact O-N 2.92Å
116N74.5Confident66.6Low98 Ų9870.1 Ų70.152%0.52433%0.326SS..G310 helixtrans-96.212178.4-65.7-26.5000113H90 L91 E113 S114H90-N116 CarbonylContact C-O 3.52Å; H90-N116 VanDerWaalsContact CA-O 3.29Å; H90-N116 WeakPolarHBondContact CA-O 3.35Å; L91-N116 PolarHBondContact N-O 3.32Å; E113-N116 PolarHBondContact O-N 3.12Å; S114-N116 PolarHBondContact O-N 3.17Å; S114-N116 VanDerWaalsContact O-N 3.12Å
117L72.8Confident66.4Low21 Ų2168.2 Ų68.211%0.1132%0.32CS..EExtended strand (participates in β ladder)trans-113.5139179.7-61.9179.9000111.7I33 I88 V89 H90 V107 S114I33-L117 HydrophobicContact CD1-CD1 4.32Å; I33-L117 HydrophobicContact CG1-CD1 4.19Å; I33-L117 HydrophobicContact CG2-CD1 3.96Å; I88-L117 HydrophobicContact CG2-CB 3.89Å; I88-L117 HydrophobicContact CG2-CD1 4.04Å; I88-L117 HydrophobicContact CG2-CD2 4.06Å; I88-L117 HydrophobicContact CG2-CG 4.22Å; V89-L117 WeakPolarHBondContact O-CA 3.15Å; H90-L117 WeakPolarHBondContact ND1-CD2 3.47Å; V107-L117 HydrophobicContact CB-CB 4.25Å; V107-L117 HydrophobicContact CG2-CB 3.97Å; S114-L117 WeakPolarHBondContact O-CB 3.42Å; S114-L117 PolarHBondContact O-N 2.99Å
118I73.5Confident66.4Low43 Ų4369.7 Ų69.722%0.22134%0.339CS..EExtended strand (participates in β ladder)trans-128.7132.8175-165.4171.5000109.8V89 T104 Y105V89-I118 HydrophobicContact CG2-CG2 3.62Å; V89-I118 PolarHBondContact N-O 3.03Å; V89-I118 PolarHBondContact O-N 3.23Å; T104-I118 HydrophobicContact CG2-CD1 4.09Å; Y105-I118 WeakPolarHBondContact O-CG1 3.4Å
119G72.3Confident66.6Low0 Ų060.9 Ų60.90%030%0.298CS..EExtended strand (participates in β ladder)trans-76.4130.8170.500000109.8T104 Y105T104-G119 CarbonylContact C-O 3.52Å; T104-G119 WeakPolarHBondContact CA-O 3.39Å; Y105-G119 WeakPolarHBondContact CD1-O 3.35Å; Y105-G119 VanDerWaalsContact CE1-C 3.48Å; Y105-G119 VanDerWaalsContact CE1-CA 3.48Å; Y105-G119 PolarHBondContact N-O 2.81Å; Y105-G119 PolarHBondContact O-N 3.49Å
120L71.5Confident66.8Low4 Ų459.9 Ų59.92%0.02129%0.289CS..EExtended strand (participates in β ladder)trans-113.3132175.6179.666.3000109S86 S87 I95 A101 T104 Y122S86-L120 CarbonylContact C-O 3.55Å; S86-L120 WeakPolarHBondContact CA-O 3.48Å; S86-L120 WeakPolarHBondContact CB-O 3.42Å; S86-L120 PolarHBondContact OG-O 3.17Å; S87-L120 PolarHBondContact N-O 2.9Å; S87-L120 PolarHBondContact O-N 3.22Å; I95-L120 HydrophobicContact CD1-CD1 3.97Å; I95-L120 HydrophobicContact CD1-CD2 4.11Å; I95-L120 HydrophobicContact CG1-CD2 4.34Å; I95-L120 HydrophobicContact CG2-CD2 4.44Å; A101-L120 HydrophobicContact CB-CD1 3.78Å; T104-L120 HydrophobicContact CG2-CD1 3.78Å; L120-Y122 HydrophobicContact CD2-CD1 3.97Å; L120-Y122 HydrophobicContact CD2-CG 4.42Å; L120-Y122 HydrophobicContact CG-CD1 3.95Å
121V69.3Low67.5Low0 Ų054.1 Ų54.10%027%0.271CS..EExtended strand (participates in β ladder)trans-110126.6166-175.40000107.9I26 I84 C85 I102 K103 Y105I26-V121 HydrophobicContact CD1-CG1 4.06Å; I26-V121 HydrophobicContact CG2-CG1 4.44Å; I84-V121 HydrophobicContact CG2-CG1 3.63Å; C85-V121 WeakPolarHBondContact O-CA 3.44Å; I102-V121 PolarHBondContact N-O 2.78Å; K103-V121 HydrophobicContact CB-CB 4.13Å; K103-V121 HydrophobicContact CB-CG2 4.37Å; K103-V121 PolarHBondContact N-O 3.16Å; K103-V121 PolarHBondContact O-N 2.89Å; Y105-V121 HydrophobicContact CD1-CG2 4.12Å; Y105-V121 HydrophobicContact CE1-CG2 3.85Å
122Y69.8Low67.9Low4 Ų453.8 Ų53.82%0.01627%0.271CS..EExtended strand (participates in β ladder)trans-149.3153.9-172.266.8-81.3000112.7R36 C85 S87 K99 L100 L120 P124R36-Y122 PolarHBondContact NE-OH 2.85Å; R36-Y122 PolarHBondContact NH2-OH 3.49Å; C85-Y122 HydrophobicContact CB-CD1 4.09Å; C85-Y122 HydrophobicContact CB-CD2 4.06Å; C85-Y122 HydrophobicContact CB-CE1 3.63Å; C85-Y122 HydrophobicContact CB-CE2 3.59Å; C85-Y122 HydrophobicContact CB-CG 4.3Å; C85-Y122 PolarHBondContact N-O 2.82Å; C85-Y122 PolarHBondContact O-N 2.77Å; C85-Y122 VanDerWaalsContact O-O 3.1Å; S87-Y122 WeakPolarHBondContact OG-CE1 3.42Å; K99-Y122 HydrophobicContact CB-CD2 3.69Å; K99-Y122 HydrophobicContact CB-CE2 4.3Å; K99-Y122 HydrophobicContact CB-CG 4.2Å; K99-Y122 HydrophobicContact CD-CD2 3.86Å; K99-Y122 HydrophobicContact CD-CE2 3.69Å; K99-Y122 HydrophobicContact CD-CG 4.37Å; K99-Y122 HydrophobicContact CG-CD2 3.52Å; K99-Y122 HydrophobicContact CG-CE2 3.6Å; K99-Y122 HydrophobicContact CG-CG 4.33Å; L100-Y122 CarbonylContact O-C 3.58Å; L100-Y122 WeakPolarHBondContact O-CA 3.08Å; L100-Y122 WeakPolarHBondContact O-CB 3.33Å; L120-Y122 HydrophobicContact CD2-CD1 3.97Å; L120-Y122 HydrophobicContact CD2-CG 4.42Å; L120-Y122 HydrophobicContact CG-CD1 3.95Å; Y122-P124 HydrophobicContact CE2-CB 4.35Å
123V71.1Confident68.1Low1 Ų151 Ų511%0.00625%0.252CS..EExtended strand (participates in β ladder)trans-89.8125.1163.8166.90000108.3M16 W24 V82 I84 L100 I102 L125M16-V123 HydrophobicContact CE-CG1 4.37Å; M16-V123 HydrophobicContact SD-CG1 4.02Å; W24-V123 HydrophobicContact CH2-CG2 3.66Å; W24-V123 HydrophobicContact CZ3-CG2 4.33Å; V82-V123 HydrophobicContact CG1-CG2 3.61Å; I84-V123 HydrophobicContact CG1-CG2 4.46Å; L100-V123 HydrophobicContact CB-CB 4.28Å; L100-V123 PolarHBondContact N-O 3.02Å; L100-V123 PolarHBondContact O-N 3.42Å; I102-V123 HydrophobicContact CD1-CB 4.04Å; I102-V123 HydrophobicContact CD1-CG2 3.49Å; I102-V123 VanDerWaalsContact CD1-CG2 3.49Å; V123-L125 HydrophobicContact CG1-CD2 4.29Å
124P69Low68.3Low0 Ų047.7 Ų47.70%024%0.237CC..EExtended strand (participates in β ladder)trans-69131.5169.731.3-33.3000109.1W12 L83 Y122 T129W12-P124 VanDerWaalsContact CH2-O 3.31Å; W12-P124 WeakPolarHBondContact CH2-O 3.22Å; W12-P124 VanDerWaalsContact CZ3-O 3.28Å; W12-P124 WeakPolarHBondContact CZ3-O 3.16Å; L83-P124 HydrophobicContact CB-CG 4.46Å; L83-P124 HydrophobicContact CD2-CG 3.72Å; L83-P124 HydrophobicContact CG-CG 4Å; L83-P124 WeakPolarHBondContact O-CD 3.41Å; Y122-P124 HydrophobicContact CE2-CB 4.35Å; P124-T129 HydrophobicContact CB-CG2 3.64Å; P124-T129 HydrophobicContact CG-CG2 3.68Å
125L64.1Low68Low18 Ų1849.9 Ų49.99%0.09426%0.256CS..  trans-100.7-12.7-179.9-59.6177.7000111.3S13 I17 N98 L100 V123S13-L125 WeakPolarHBondContact CB-O 3.37Å; I17-L125 HydrophobicContact CD1-CD1 4.1Å; I17-L125 HydrophobicContact CD1-CD2 4.48Å; I17-L125 HydrophobicContact CG1-CD2 4.45Å; N98-L125 WeakPolarHBondContact O-CA 3.4Å; N98-L125 VanDerWaalsContact O-CB 3.25Å; N98-L125 WeakPolarHBondContact O-CB 3.41Å; N98-L125 PolarHBondContact O-N 2.04Å; L100-L125 HydrophobicContact CB-CD1 4.15Å; L100-L125 HydrophobicContact CB-CD2 4.07Å; L100-L125 HydrophobicContact CB-CG 4.22Å; V123-L125 HydrophobicContact CG1-CD2 4.29Å
126D68.3Low67.4Low42 Ų4245.8 Ų45.823%0.22525%0.248CC..  trans-77.2136.5174.567.4-68.5000112.2N98 G128 T129 W130N98-D126 HydrophobicContact CB-CB 4.2Å; D126-G128 PolarHBondContact O-N 3.4Å; D126-T129 VanDerWaalsContact CG-OG1 3.3Å; D126-T129 PolarHBondContact OD1-OG1 3.19Å; D126-T129 VanDerWaalsContact OD1-OG1 3.11Å; D126-T129 WeakPolarHBondContact OD2-CB 3.38Å; D126-T129 PolarHBondContact OD2-N 3.4Å; D126-T129 PolarHBondContact OD2-OG1 3.16Å; D126-W130 PolarHBondContact O-N 3.32Å
127H64.2Low66.2Low127 Ų12743.6 Ų43.659%0.58823%0.234SC*.Hα-helixtrans-66.5-22.8176.7-178.1-67.8000112.5K131H127-K131 WeakPolarHBondContact O-CB 3.34Å; H127-K131 PolarHBondContact O-N 3.12Å; H127-K131 VanDerWaalsContact O-N 3.07Å
128G68.2Low64.9Low51 Ų5149.4 Ų49.453%0.52626%0.263SS..Hα-helixtrans-65-58.2-17900000111.8D126 W130 K131 S132D126-G128 PolarHBondContact O-N 3.4Å; G128-W130 VanDerWaalsContact C-N 3.3Å; G128-W130 PolarHBondContact O-N 3.2Å; G128-K131 PolarHBondContact O-N 3.22Å; G128-S132 PolarHBondContact O-N 3.07Å; G128-S132 VanDerWaalsContact O-N 3.12Å
129T67.6Low63.4Low12 Ų1256 Ų567%0.07429%0.293CS..Hα-helixtrans-53.5-47.8172.5-64.10000110.9R36 L83 P124 D126 K131 S132 Y133R36-T129 PolarHBondContact NH1-OG1 3Å; R36-T129 VanDerWaalsContact NH1-OG1 3.1Å; R36-T129 PolarHBondContact NH2-OG1 3.36Å; R36-T129 VanDerWaalsContact NH2-OG1 3.17Å; L83-T129 HydrophobicContact CD2-CG2 4.05Å; P124-T129 HydrophobicContact CB-CG2 3.64Å; P124-T129 HydrophobicContact CG-CG2 3.68Å; D126-T129 VanDerWaalsContact CG-OG1 3.3Å; D126-T129 PolarHBondContact OD1-OG1 3.19Å; D126-T129 VanDerWaalsContact OD1-OG1 3.11Å; D126-T129 WeakPolarHBondContact OD2-CB 3.38Å; D126-T129 PolarHBondContact OD2-N 3.4Å; D126-T129 PolarHBondContact OD2-OG1 3.16Å; T129-K131 VanDerWaalsContact C-N 3.3Å; T129-K131 PolarHBondContact O-N 3.35Å; T129-S132 PolarHBondContact O-N 2.92Å; T129-S132 PolarHBondContact O-OG 3.4Å; T129-Y133 HydrophobicContact CG2-CD2 3.75Å; T129-Y133 HydrophobicContact CG2-CE2 3.93Å; T129-Y133 WeakPolarHBondContact O-CD2 3.31Å; T129-Y133 PolarHBondContact O-N 3.3Å
130W64.5Low62.1Low59 Ų5961.7 Ų61.722%0.22333%0.328CS..Hα-helixtrans-60.8-42.8-174.9-16477.6000111.7W12 W40 D126 G128 E134W12-W130 HydrophobicContact CH2-CB 4.07Å; W12-W130 AromaticContact CH2-CD1 3.18Å; W12-W130 HydrophobicContact CH2-CD2 4.44Å; W12-W130 AromaticContact CH2-CG 3.64Å; W12-W130 HydrophobicContact CH2-CG 3.64Å; W12-W130 AromaticContact CH2-NE1 3.68Å; W12-W130 AromaticContact CZ2-CD1 3.25Å; W12-W130 HydrophobicContact CZ2-CD2 4.17Å; W12-W130 AromaticContact CZ2-CE2 3.78Å; W12-W130 AromaticContact CZ2-CG 3.81Å; W12-W130 HydrophobicContact CZ2-CG 3.81Å; W12-W130 AromaticContact CZ2-NE1 3.19Å; W12-W130 HydrophobicContact CZ3-CB 4.26Å; W12-W130 HydrophobicContact CZ3-CG 4.23Å; W40-W130 AromaticContact CH2-CD1 3.9Å; W40-W130 HydrophobicContact CH2-CD2 4.21Å; W40-W130 AromaticContact CH2-CE2 3.4Å; W40-W130 HydrophobicContact CH2-CH2 4.46Å; W40-W130 AromaticContact CH2-CZ2 3.58Å; W40-W130 HydrophobicContact CH2-CZ2 3.58Å; W40-W130 AromaticContact CH2-NE1 3.15Å; W40-W130 HydrophobicContact CZ3-CZ2 4.19Å; W40-W130 AromaticContact CZ3-NE1 3.57Å; D126-W130 PolarHBondContact O-N 3.32Å; G128-W130 VanDerWaalsContact C-N 3.3Å; G128-W130 PolarHBondContact O-N 3.2Å; W130-E134 WeakPolarHBondContact CH2-OE1 3.04Å; W130-E134 WeakPolarHBondContact CZ3-OE1 3.37Å; W130-E134 VanDerWaalsContact CZ3-OE2 3.28Å; W130-E134 WeakPolarHBondContact CZ3-OE2 3.18Å; W130-E134 WeakPolarHBondContact O-CB 3.08Å; W130-E134 PolarHBondContact O-N 2.74Å
131K65.4Low60.6Low133 Ų13367 Ų6758%0.57835%0.353SS*.Hα-helixtrans-66.9-35.6177-171.1-177.1177.3-168.90113.1H127 G128 T129 E134 A135H127-K131 WeakPolarHBondContact O-CB 3.34Å; H127-K131 PolarHBondContact O-N 3.12Å; H127-K131 VanDerWaalsContact O-N 3.07Å; G128-K131 PolarHBondContact O-N 3.22Å; T129-K131 VanDerWaalsContact C-N 3.3Å; T129-K131 PolarHBondContact O-N 3.35Å; K131-E134 PolarHBondContact O-N 3.25Å; K131-A135 PolarHBondContact O-N 3.33Å
132S69.4Low58.8Low56 Ų5675.8 Ų75.839%0.39239%0.393SS..Hα-helixtrans-65.6-48.1178.466.30000111.2G128 T129 E134 A135 D136G128-S132 PolarHBondContact O-N 3.07Å; G128-S132 VanDerWaalsContact O-N 3.12Å; T129-S132 PolarHBondContact O-N 2.92Å; T129-S132 PolarHBondContact O-OG 3.4Å; S132-E134 VanDerWaalsContact C-N 3.26Å; S132-E134 PolarHBondContact O-N 2.97Å; S132-A135 WeakPolarHBondContact O-CB 3.28Å; S132-A135 PolarHBondContact O-N 3.3Å; S132-A135 VanDerWaalsContact O-N 3.16Å; S132-D136 PolarHBondContact O-N 3.29Å
133Y65.4Low57Low51 Ų5182.1 Ų82.120%0.243%0.432CS..Hα-helixtrans-74.4-12.5177.9-73-77.3000114C38 W40 L83 T129C38-Y133 HydrophobicContact CB-CD1 4.05Å; C38-Y133 HydrophobicContact CB-CD2 4.08Å; C38-Y133 HydrophobicContact CB-CE1 3.74Å; C38-Y133 HydrophobicContact CB-CE2 3.77Å; C38-Y133 HydrophobicContact CB-CG 4.22Å; C38-Y133 WeakPolarHBondContact SG-CE2 3.47Å; C38-Y133 VanDerWaalsContact SG-CZ 3.56Å; W40-Y133 PolarHBondContact NE1-O 2.85Å; L83-Y133 HydrophobicContact CD1-CG 4.11Å; L83-Y133 HydrophobicContact CD2-CD2 4.04Å; L83-Y133 HydrophobicContact CD2-CG 4.22Å; T129-Y133 HydrophobicContact CG2-CD2 3.75Å; T129-Y133 HydrophobicContact CG2-CE2 3.93Å; T129-Y133 WeakPolarHBondContact O-CD2 3.31Å; T129-Y133 PolarHBondContact O-N 3.3Å
134E65.8Low55.3Low83 Ų8387.5 Ų87.539%0.38847%0.47SS..Hα-helixtrans-76.4-35.1167.6-171.9173.4-135.500111.6W40 W130 K131 S132 K137W40-E134 HydrophobicContact CZ2-CB 4.25Å; W130-E134 WeakPolarHBondContact CH2-OE1 3.04Å; W130-E134 WeakPolarHBondContact CZ3-OE1 3.37Å; W130-E134 VanDerWaalsContact CZ3-OE2 3.28Å; W130-E134 WeakPolarHBondContact CZ3-OE2 3.18Å; W130-E134 WeakPolarHBondContact O-CB 3.08Å; W130-E134 PolarHBondContact O-N 2.74Å; K131-E134 PolarHBondContact O-N 3.25Å; S132-E134 VanDerWaalsContact C-N 3.26Å; S132-E134 PolarHBondContact O-N 2.97Å; E134-K137 WeakPolarHBondContact O-CB 3.41Å
135A56.4Low53.4Low58 Ų5896.2 Ų96.248%0.47951%0.511SS..Hα-helixtrans-68.4-45.1176.700000112.4K131 S132 K137 I138K131-A135 PolarHBondContact O-N 3.33Å; S132-A135 WeakPolarHBondContact O-CB 3.28Å; S132-A135 PolarHBondContact O-N 3.3Å; S132-A135 VanDerWaalsContact O-N 3.16Å; A135-K137 PolarHBondContact O-N 2.8Å; A135-K137 VanDerWaalsContact O-N 3.13Å; A135-I138 PolarHBondContact O-N 3.34Å; A135-I138 VanDerWaalsContact O-N 3.15Å
136D53.2Low51.7Low100 Ų100103.6 Ų103.654%0.53555%0.545SS..G310 helixtrans-58.9-27.4178.9-62.3-22.7000112.8S132S132-D136 PolarHBondContact O-N 3.29Å
137K48.8Very low49.8Very low53 Ų53107.6 Ų107.623%0.2357%0.57CS.*G310 helixtrans-72.2-28.7-178.8-174.3-176.7169.4-161.90113.4W40 E134 A135 Q139 V140 E141W40-K137 HydrophobicContact CG-CD 4.49Å; E134-K137 WeakPolarHBondContact O-CB 3.41Å; A135-K137 PolarHBondContact O-N 2.8Å; A135-K137 VanDerWaalsContact O-N 3.13Å; K137-Q139 PolarHBondContact O-N 2.77Å; K137-V140 PolarHBondContact O-N 2.9Å; K137-E141 WeakPolarHBondContact CE-OE2 3.49Å; K137-E141 IonicContact NZ-OE2 3.4Å
138I45.1Very low48Very low143 Ų143111.2 Ų111.273%0.73358%0.584SS**G310 helixtrans-69.2-18.2-176.7-62.2172.7000111.4A135A135-I138 PolarHBondContact O-N 3.34Å; A135-I138 VanDerWaalsContact O-N 3.15Å
139Q42Very low46.1Very low180 Ų180114.5 Ų114.584%0.84160%0.599SS**G310 helixtrans-88.32.1178.1-63-170-9.500114.6K137K137-Q139 PolarHBondContact O-N 2.77Å
140V45.6Very low44Very low121 Ų121120.1 Ų120.173%0.73363%0.629SS**THydrogen-bonded Turntrans-127.6-24.7-171.2-172.10000114.5K137 E142K137-V140 PolarHBondContact O-N 2.9Å; V140-E142 PolarHBondContact O-N 2.75Å
141E39.8Very low42.3Very low116 Ų116120.9 Ų120.954%0.54264%0.643SS.*  trans-93.472.3177.1-69.1-171.8137.600112R81 K137R81-E141 IonicContact CZ-OE1 3.52Å; R81-E141 IonicContact CZ-OE2 3.86Å; R81-E141 IonicContact NH1-OE1 2.68Å; R81-E141 PolarHBondContact NH1-OE1 2.67Å; R81-E141 IonicContact NH1-OE2 2.88Å; R81-E141 PolarHBondContact NH1-OE2 3.5Å; R81-E141 VanDerWaalsContact NH1-OE2 3.08Å; R81-E141 IonicContact NH2-OE1 2.69Å; R81-E141 PolarHBondContact NH2-OE1 3.39Å; R81-E141 IonicContact NH2-OE2 3.72Å; K137-E141 WeakPolarHBondContact CE-OE2 3.49Å; K137-E141 IonicContact NZ-OE2 3.4Å
142E31.9Very low40.4Very low183 Ų183121.9 Ų121.986%0.85565%0.645SS**  trans-77.9140.8150.6-89.9-166.4161.800109.3V140V140-E142 PolarHBondContact O-N 2.75Å
143V32.3Very low38.4Very low137 Ų137124 Ų12483%0.8366%0.655SS**SBendtrans65.188.4174.3-163.20000116.8
144S34.3Very low36.4Very low115 Ų115125.3 Ų125.380%0.80466%0.66SS**  179146.5105.345.40000113.1
145E29.8Very low34.5Very low182 Ų182121.8 Ų121.885%0.8564%0.644SS**  trans-60157.4169.6-57.1154.4152.600109.7
146E27.3Very low33Very low174 Ų174124.6 Ų124.681%0.81365%0.651SS**  cis-168.2177.125.3-152.3-175.2-156.100112
147V29.4Very low31.8Very low126 Ų126123.4 Ų123.476%0.76465%0.647SS**  trans79.6117162.4-1650000120.2
148K26.9Very low30.8Very low202 Ų202128.1 Ų128.188%0.87867%0.674SS**  trans-80.4146.8173.6-59.2158.4178.6167.40112.7
149S27.6Very low30Very low120 Ų120130.4 Ų130.484%0.83968%0.682SS**  trans-171.9136.4140.7-168.10000112.4
150D24.2Very low29.3Very low130 Ų130127.3 Ų127.370%0.69568%0.675SS**  trans-73.9163.2-176.1-56.6-76.8000115.5
151S27.3Very low28.5Very low76 Ų76127.2 Ų127.253%0.53168%0.677SS.*  trans96.5140.1147.982.70000122.2R47R47-S151 PolarHBondContact NH1-O 3.38Å
152Y26Very low28.2Very low153 Ų153129 Ų12960%0.669%0.689SS**  trans-95.1-148.4-166-14.3-86.7000111.8R47R47-Y152 PolarHBondContact NH2-O 3.31Å
153V26.5Very low28.2Very low101 Ų101124.8 Ų124.861%0.61268%0.679SS**  trans92.1126.1177.6-179.10000116.7W15W15-V153 VanDerWaalsContact CE2-N 3.26Å
154Y24.2Very low28Very low79 Ų79123.6 Ų123.631%0.3167%0.674SS.*  cis-173.8138.7-18.5-161.4-77.4000112.4A10 S11 W15 K19A10-Y154 HydrophobicContact CB-CE2 4.15Å; S11-Y154 PolarHBondContact OG-OH 3.47Å; W15-Y154 HydrophobicContact CB-CE2 4.49Å; W15-Y154 AromaticContact CD1-CD2 3.37Å; W15-Y154 AromaticContact CD1-CE2 3.95Å; W15-Y154 AromaticContact CD1-CG 3.8Å; W15-Y154 HydrophobicContact CG-CD2 4.3Å; K19-Y154 WeakPolarHBondContact CD-O 3.35Å; K19-Y154 WeakPolarHBondContact CE-O 3.33Å; K19-Y154 PolarHBondContact NZ-O 3.29Å
155L26.1Very low27.8Very low9 Ų9124.2 Ų124.25%0.04767%0.673CS.*  trans-116.9162.7-176-68.866.8000116.1K14 W15 M16 I17 K19 T20K14-L155 CarbonylContact O-C 3.49Å; K14-L155 VanDerWaalsContact O-C 3.3Å; K14-L155 VanDerWaalsContact O-O 3.06Å; W15-L155 VanDerWaalsContact C-CB 3.47Å; W15-L155 WeakPolarHBondContact O-CB 3.32Å; W15-L155 WeakPolarHBondContact O-CD1 3.45Å; W15-L155 VanDerWaalsContact O-CG 3.24Å; W15-L155 WeakPolarHBondContact O-CG 3.07Å; W15-L155 PolarHBondContact O-N 3.27Å; W15-L155 VanDerWaalsContact O-N 3.13Å; M16-L155 WeakPolarHBondContact O-CD2 3Å; I17-L155 VanDerWaalsContact N-CD2 3.32Å; K19-L155 HydrophobicContact CB-CD1 4Å; K19-L155 HydrophobicContact CB-CD2 4.23Å; K19-L155 HydrophobicContact CB-CG 3.66Å; K19-L155 HydrophobicContact CG-CG 4.06Å; T20-L155 VanDerWaalsContact N-CD2 3.27Å; T20-L155 VanDerWaalsContact OG1-CD2 3.29Å; T20-L155 WeakPolarHBondContact OG1-CD2 3.2Å
156D24.8Very low27.7Very low117 Ų117126.5 Ų126.563%0.62667%0.674SS**  trans-148.899-152.3-172.115.3000113.1S18 L158S18-D156 WeakPolarHBondContact CB-O 3.07Å; S18-D156 WeakPolarHBondContact OG-CA 2.97Å; S18-D156 PolarHBondContact OG-N 2.72Å; S18-D156 PolarHBondContact OG-O 2.88Å; D156-L158 PolarHBondContact O-N 3.28Å
157V28.3Very low27.7Very low75 Ų75121.4 Ų121.446%0.45567%0.668SS.*  trans-86.4108.5-172.7-164.50000110.6I17 Q159I17-V157 HydrophobicContact CB-CG2 3.52Å; I17-V157 HydrophobicContact CD1-CG2 3.58Å; I17-V157 HydrophobicContact CG1-CG2 4.11Å; I17-V157 HydrophobicContact CG2-CB 4.48Å; I17-V157 HydrophobicContact CG2-CG1 4.29Å; I17-V157 HydrophobicContact CG2-CG2 3.47Å; I17-V157 VanDerWaalsContact CG2-CG2 3.47Å; V157-Q159 PolarHBondContact O-N 3.3Å
158L27.5Very low27.7Very low152 Ų152122.4 Ų122.480%0.79666%0.662SS**  trans-59.2122.9164.4-89.7162.9000109D156 T160D156-L158 PolarHBondContact O-N 3.28Å; L158-T160 VanDerWaalsContact C-N 3.29Å; L158-T160 PolarHBondContact O-N 2.84Å
159Q27.8Very low27.9Very low191 Ų191118 Ų11889%0.89366%0.657SS**  trans-69.682.4177.5-68.3173.8-6500110.5V157V157-Q159 PolarHBondContact O-N 3.3Å
160T27.8Very low27.9Very low115 Ų115121.8 Ų121.871%0.70665%0.654SS**  trans-93.4123153.147.30000107.9L158 I162L158-T160 VanDerWaalsContact C-N 3.29Å; L158-T160 PolarHBondContact O-N 2.84Å; T160-I162 PolarHBondContact O-N 2.8Å; T160-I162 VanDerWaalsContact O-N 3.11Å
161P29Very low28.4Very low118 Ų118120.2 Ų120.277%0.76665%0.653SS**  trans-61.1119.6170.325.6-31.8000107.7S163P161-S163 PolarHBondContact O-N 3.28Å
162I34.1Very low28.7Very low155 Ų155121.9 Ų121.980%0.79566%0.662SS**  trans-63.3103.4173.7-59.7174.4000106.1T160T160-I162 PolarHBondContact O-N 2.8Å; T160-I162 VanDerWaalsContact O-N 3.11Å
163S30.5Very low29.3Very low93 Ų93120.4 Ų120.465%0.6567%0.672SS**  trans-58142.1171.7-75.60000108.9P161 V165P161-S163 PolarHBondContact O-N 3.28Å; S163-V165 PolarHBondContact O-N 2.84Å; S163-V165 VanDerWaalsContact O-N 3.13Å
164P28.2Very low29.9Very low112 Ų112120.7 Ų120.773%0.72768%0.678SS**  trans-55.4125.1179.822.8-33.3000109.4R166P164-R166 VanDerWaalsContact C-N 3.3Å; P164-R166 PolarHBondContact O-N 3.37Å
165V30Very low30.4Very low128 Ų128124.4 Ų124.478%0.77670%0.703SS**  trans-67.391.7177.7-179.40000107.9S163 G167S163-V165 PolarHBondContact O-N 2.84Å; S163-V165 VanDerWaalsContact O-N 3.13Å; V165-G167 VanDerWaalsContact C-N 3.3Å; V165-G167 PolarHBondContact O-N 3.24Å
166R28.1Very low31Very low231 Ų231131.1 Ų131.187%0.87274%0.739SS**  trans-67.892.8166.9-76.4-171.5178.3-176.90.5108P164 K168P164-R166 VanDerWaalsContact C-N 3.3Å; P164-R166 PolarHBondContact O-N 3.37Å; R166-K168 PolarHBondContact O-N 2.91Å; R166-K168 VanDerWaalsContact O-N 3.08Å
167G27.8Very low31.4Very low67 Ų67132.2 Ų132.269%0.69175%0.745SS**  trans-58.2111.9167.200000109.3V165V165-G167 VanDerWaalsContact C-N 3.3Å; V165-G167 PolarHBondContact O-N 3.24Å
168K28.7Very low31.8Very low146 Ų146135.3 Ų135.364%0.63576%0.759SS**  trans-74.9122.9166.4-76.3-169.2172-1680108.2R166 Y170R166-K168 PolarHBondContact O-N 2.91Å; R166-K168 VanDerWaalsContact O-N 3.08Å; K168-Y170 PolarHBondContact O-N 3.04Å; K168-Y170 VanDerWaalsContact O-N 3.1Å
169S30.8Very low32.1Very low110 Ų110134.9 Ų134.977%0.76976%0.758SS**  trans-68.6101.9166.249.90000109.1S171S169-S171 PolarHBondContact O-N 3.49Å
170Y28.5Very low32.6Very low199 Ų199136.3 Ų136.378%0.7876%0.756SS**  trans-77.5105.1156.3-86-85.4000107.8K168K168-Y170 PolarHBondContact O-N 3.04Å; K168-Y170 VanDerWaalsContact O-N 3.1Å
171S33.4Very low32.8Very low98 Ų98141.9 Ų141.969%0.68577%0.766SS**PPolyproline II helixtrans-77.7136.1155.7-59.50000107.7S169S169-S171 PolarHBondContact O-N 3.49Å
172P35.1Very low33.3Very low111 Ų111141.7 Ų141.772%0.72176%0.759SS**PPolyproline II helixtrans-61.1151.4164.229-33.4000109.1S174P172-S174 PolarHBondContact O-N 2.94Å; P172-S174 VanDerWaalsContact O-N 3.17Å
173P38.5Very low33.4Very low122 Ų122140.9 Ų140.979%0.79276%0.756SS**PPolyproline II helixtrans-61.4122.3174.425.5-30.4000108.4D175P173-D175 PolarHBondContact O-N 3.21Å
174S38.8Very low34.1Very low107 Ų107143.5 Ų143.575%0.74876%0.755SS**  trans-75.5111.2171.751.80000108.3P172 N176P172-S174 PolarHBondContact O-N 2.94Å; P172-S174 VanDerWaalsContact O-N 3.17Å; S174-N176 PolarHBondContact O-N 3.45Å
175D34.4Very low34.9Very low157 Ų157145.4 Ų145.484%0.8476%0.76SS**  trans-63.585.6162.5-71.9-38.1000108.7P173P173-D175 PolarHBondContact O-N 3.21Å
176N38.3Very low35.6Very low149 Ų149142 Ų14280%0.79775%0.75SS**  trans-162.2131.3150.6-100-34.9000110.6S174S174-N176 PolarHBondContact O-N 3.45Å
177N34.4Very low36.6Very low141 Ų141137.5 Ų137.575%0.75474%0.739SS**  trans-56.2160.7-175.6-60.9-44.2000114.6
178N35.7Very low38Very low139 Ų139138 Ų13874%0.74373%0.732SS**  trans94.3120.7159.8-54.9-10.8000117.3
179D34.5Very low39.3Very low144 Ų144134.6 Ų134.677%0.7773%0.725SS**  trans61.385.9140.6-48.3-24.2000119.4
180Y38Very low40.8Very low220 Ų220135.7 Ų135.786%0.86372%0.721SS**  -170.9127.9103.9-134.1-107.6000112.4
181Y32.4Very low42.3Very low232 Ų232133.5 Ų133.591%0.9172%0.715SS**  trans-84117.8164.7-93.9-99.4000109.5
182D39.8Very low44Very low115 Ų115133.2 Ų133.262%0.61571%0.705SS**  trans-147.7101.7148.4-156.6-14.2000109.8K184D182-K184 PolarHBondContact O-N 3.4Å; D182-K184 IonicContact OD1-NZ 3.04Å; D182-K184 PolarHBondContact OD1-NZ 3.27Å; D182-K184 IonicContact OD2-NZ 2.67Å; D182-K184 PolarHBondContact OD2-NZ 2.89Å
183D36.5Very low45.9Very low137 Ų137129.9 Ų129.973%0.73369%0.691SS**  trans-83.789.5-173.5-178.916.1000110.8
184K43.8Very low47.6Very low148 Ų148127.6 Ų127.664%0.64368%0.678SS**  trans-137125.6172.6-67.7-171-173.187.10113.2D182D182-K184 PolarHBondContact O-N 3.4Å; D182-K184 IonicContact OD1-NZ 3.04Å; D182-K184 PolarHBondContact OD1-NZ 3.27Å; D182-K184 IonicContact OD2-NZ 2.67Å; D182-K184 PolarHBondContact OD2-NZ 2.89Å
185N45.1Very low49.6Very low153 Ų153127.1 Ų127.182%0.81867%0.666SS**SBendtrans90.516.7159.9-53.5-25000119.8
186G45.2Very low51.9Low56 Ų56124.5 Ų124.558%0.57765%0.652SS**SBendtrans-67.1-36.4174.100000116
187H50.2Low54.1Low136 Ų136124.3 Ų124.363%0.6364%0.644SS**  trans-92-2.1-161-68.8-70.4000117.4I190 F191H187-I190 PolarHBondContact O-N 3.45Å; H187-F191 PolarHBondContact O-N 3.4Å
188S55.6Low56.5Low78 Ų78120.7 Ų120.755%0.54563%0.63SS.*Hα-helixtrans-49.3-50.3-165.7178.20000116.8I192S188-I192 WeakPolarHBondContact O-CD1 3.4Å; S188-I192 VanDerWaalsContact O-CG1 3.32Å; S188-I192 WeakPolarHBondContact O-CG1 3.17Å; S188-I192 PolarHBondContact O-N 2.77Å
189P57.8Low58.9Low74 Ų74117.8 Ų117.848%0.48161%0.614SS.*Hα-helixtrans-78-30.7-17429.5-34.2000114.2G193P189-G193 PolarHBondContact O-N 3.24Å
190I60.8Low61.4Low134 Ų134116.2 Ų116.269%0.68761%0.605SS**Hα-helixtrans-73.3-38-177.9-60.7174.2000109.8H187 I192 G193 S194H187-I190 PolarHBondContact O-N 3.45Å; I190-I192 PolarHBondContact O-N 3Å; I190-G193 PolarHBondContact O-N 3.42Å; I190-S194 PolarHBondContact O-N 2.9Å; I190-S194 VanDerWaalsContact O-N 3.08Å
191F61Low63.9Low152 Ų152108.6 Ų108.667%0.66758%0.583SS**Hα-helixtrans-64.4-40176.6-140.8-90.1000112.1H187 S194 L195H187-F191 PolarHBondContact O-N 3.4Å; F191-S194 PolarHBondContact O-N 3.45Å; F191-L195 WeakPolarHBondContact O-CB 3.11Å; F191-L195 PolarHBondContact O-N 3.23Å
192I69Low66.6Low93 Ų93102.4 Ų102.448%0.47757%0.565SS.*Hα-helixtrans-63.9-42.7176.6-65.6165.1000111.3S188 I190 L195 L196S188-I192 WeakPolarHBondContact O-CD1 3.4Å; S188-I192 VanDerWaalsContact O-CG1 3.32Å; S188-I192 WeakPolarHBondContact O-CG1 3.17Å; S188-I192 PolarHBondContact O-N 2.77Å; I190-I192 PolarHBondContact O-N 3Å; I192-L195 PolarHBondContact O-N 3.01Å; I192-L196 HydrophobicContact CG2-CD1 4.04Å; I192-L196 WeakPolarHBondContact O-CG 3.11Å; I192-L196 PolarHBondContact O-N 3.46Å
193G73.9Confident68.8Low41 Ų41103.7 Ų103.742%0.42357%0.566SS.*Hα-helixtrans-61.8-45.2176.400000112.8P189 I190 L196 F197P189-G193 PolarHBondContact O-N 3.24Å; I190-G193 PolarHBondContact O-N 3.42Å; G193-L196 PolarHBondContact O-N 2.89Å; G193-F197 PolarHBondContact O-N 2.77Å
194S75.3Confident71.2Confident73 Ų73102.9 Ų102.951%0.5156%0.56SS.*Hα-helixtrans-61.8-42.2175.5-175.20000112.5I190 F191 F197 S198I190-S194 PolarHBondContact O-N 2.9Å; I190-S194 VanDerWaalsContact O-N 3.08Å; F191-S194 PolarHBondContact O-N 3.45Å; S194-F197 PolarHBondContact O-N 2.93Å; S194-S198 WeakPolarHBondContact O-CB 3.36Å; S194-S198 PolarHBondContact O-N 2.94Å; S194-S198 PolarHBondContact O-OG 3.42Å
195L80.7Confident73.2Confident98 Ų98101.9 Ų101.951%0.51356%0.557SS.*Hα-helixtrans-62.9-45.4177.5-162.888.9000111.9F191 I192 S198 L199F191-L195 WeakPolarHBondContact O-CB 3.11Å; F191-L195 PolarHBondContact O-N 3.23Å; I192-L195 PolarHBondContact O-N 3.01Å; L195-S198 PolarHBondContact O-N 3.37Å; L195-L199 HydrophobicContact CD2-CD1 4.46Å; L195-L199 HydrophobicContact CG-CD1 4.4Å; L195-L199 WeakPolarHBondContact O-CB 3.48Å; L195-L199 WeakPolarHBondContact O-CG 3.3Å; L195-L199 PolarHBondContact O-N 3.37Å
196L82.3Confident75.2Confident101 Ų10198 Ų9853%0.52954%0.538SS..Hα-helixtrans-66-40178.6-73172.1000112.4I192 G193 L199 L200I192-L196 HydrophobicContact CG2-CD1 4.04Å; I192-L196 WeakPolarHBondContact O-CG 3.11Å; I192-L196 PolarHBondContact O-N 3.46Å; G193-L196 PolarHBondContact O-N 2.89Å; L196-L199 PolarHBondContact O-N 3.46Å; L196-L200 WeakPolarHBondContact O-CG 3.43Å; L196-L200 PolarHBondContact O-N 3.42Å
197F83.7Confident77Confident146 Ų14698.5 Ų98.564%0.6453%0.533SS*.Hα-helixtrans-64.3-43.9174.4-174.4-98.8000111.3G193 S194 L199 L200 C201G193-F197 PolarHBondContact O-N 2.77Å; S194-F197 PolarHBondContact O-N 2.93Å; F197-L199 PolarHBondContact O-N 3.5Å; F197-L200 PolarHBondContact O-N 3.04Å; F197-C201 PolarHBondContact O-N 3.31Å; F197-C201 PolarHBondContact O-SG 2.82Å
198S85.2Confident78.7Confident65 Ų6598.6 Ų98.646%0.45553%0.529SS..Hα-helixtrans-61.8-41.8176.9-58.10000112.2S194 L195 C201 L202S194-S198 WeakPolarHBondContact O-CB 3.36Å; S194-S198 PolarHBondContact O-N 2.94Å; S194-S198 PolarHBondContact O-OG 3.42Å; L195-S198 PolarHBondContact O-N 3.37Å; S198-C201 PolarHBondContact O-N 3.08Å; S198-L202 WeakPolarHBondContact O-CB 3.25Å; S198-L202 PolarHBondContact O-N 3.17Å
199L86.8Confident79.9Confident78 Ų7899.8 Ų99.841%0.40852%0.524SS..Hα-helixtrans-62.6-43.9173.9-81.1164000112.1L195 L196 F197 L202 F203L195-L199 HydrophobicContact CD2-CD1 4.46Å; L195-L199 HydrophobicContact CG-CD1 4.4Å; L195-L199 WeakPolarHBondContact O-CB 3.48Å; L195-L199 WeakPolarHBondContact O-CG 3.3Å; L195-L199 PolarHBondContact O-N 3.37Å; L196-L199 PolarHBondContact O-N 3.46Å; F197-L199 PolarHBondContact O-N 3.5Å; L199-L202 PolarHBondContact O-N 3.1Å; L199-F203 WeakPolarHBondContact O-CD2 3.36Å; L199-F203 PolarHBondContact O-N 3.23Å
200L87.6Confident81Confident111 Ų11199.6 Ų99.658%0.58152%0.521SS*.Hα-helixtrans-61.3-44.1175.5-77.4166.2000111.8L196 F197 L202 F203 L204L196-L200 WeakPolarHBondContact O-CG 3.43Å; L196-L200 PolarHBondContact O-N 3.42Å; F197-L200 PolarHBondContact O-N 3.04Å; L200-L202 VanDerWaalsContact C-N 3.32Å; L200-L202 PolarHBondContact O-N 2.86Å; L200-F203 PolarHBondContact O-N 2.82Å; L200-L204 WeakPolarHBondContact O-CG 3.15Å; L200-L204 PolarHBondContact O-N 2.9Å
201C88.7Confident81.8Confident59 Ų59100.4 Ų100.440%0.39952%0.52SS..Hα-helixtrans-60.1-41.2173.6-72.30000112.1F197 S198 L204 F205F197-C201 PolarHBondContact O-N 3.31Å; F197-C201 PolarHBondContact O-SG 2.82Å; S198-C201 PolarHBondContact O-N 3.08Å; C201-L204 PolarHBondContact O-N 2.96Å; C201-F205 WeakPolarHBondContact O-CB 3.42Å; C201-F205 PolarHBondContact O-N 3.01Å
202L88.9Confident82.4Confident103 Ų10397.5 Ų97.554%0.53951%0.509SS..Hα-helixtrans-67-43.8178.7-161.9156.9000111.5S198 L199 L200 L204 F205 V206S198-L202 WeakPolarHBondContact O-CB 3.25Å; S198-L202 PolarHBondContact O-N 3.17Å; L199-L202 PolarHBondContact O-N 3.1Å; L200-L202 VanDerWaalsContact C-N 3.32Å; L200-L202 PolarHBondContact O-N 2.86Å; L202-L204 VanDerWaalsContact C-N 3.35Å; L202-L204 PolarHBondContact O-N 3.29Å; L202-F205 PolarHBondContact O-N 2.85Å; L202-V206 HydrophobicContact CD2-CG2 3.81Å; L202-V206 WeakPolarHBondContact O-CB 3.37Å; L202-V206 WeakPolarHBondContact O-CG2 3.16Å; L202-V206 PolarHBondContact O-N 3.41Å
203F87.2Confident82.2Confident142 Ų14296.4 Ų96.462%0.62351%0.509SS*.Hα-helixtrans-61.1-41.1173.7-80.2-63.7000112.6L199 L200 S207L199-F203 WeakPolarHBondContact O-CD2 3.36Å; L199-F203 PolarHBondContact O-N 3.23Å; L200-F203 PolarHBondContact O-N 2.82Å; F203-S207 WeakPolarHBondContact O-CB 3.36Å; F203-S207 PolarHBondContact O-N 2.89Å
204L86.2Confident81.7Confident119 Ų119102.3 Ų102.362%0.62352%0.52SS*.Hα-helixtrans-63.2-46.2174.5-72.5172.5000111.4L200 C201 L202 S207 Y208L200-L204 WeakPolarHBondContact O-CG 3.15Å; L200-L204 PolarHBondContact O-N 2.9Å; C201-L204 PolarHBondContact O-N 2.96Å; L202-L204 VanDerWaalsContact C-N 3.35Å; L202-L204 PolarHBondContact O-N 3.29Å; L204-S207 PolarHBondContact O-N 3.46Å; L204-S207 PolarHBondContact O-OG 3.24Å; L204-Y208 WeakPolarHBondContact O-CB 3.19Å; L204-Y208 PolarHBondContact O-N 2.98Å
205F86.9Confident80.8Confident128 Ų128102.3 Ų102.356%0.56152%0.517SS*.Hα-helixtrans-61.1-46.4177.8-166.7-95.7000111.8C201 L202 S207 Y208 F209C201-F205 WeakPolarHBondContact O-CB 3.42Å; C201-F205 PolarHBondContact O-N 3.01Å; L202-F205 PolarHBondContact O-N 2.85Å; F205-S207 PolarHBondContact O-N 2.86Å; F205-Y208 PolarHBondContact O-N 2.78Å; F205-F209 AromaticContact CD1-CD2 3.74Å; F205-F209 HydrophobicContact CD1-CD2 3.74Å; F205-F209 AromaticContact CD1-CE2 3.99Å; F205-F209 HydrophobicContact CD1-CE2 3.99Å; F205-F209 HydrophobicContact CD2-CD2 4.44Å; F205-F209 HydrophobicContact CD2-CE2 4.26Å; F205-F209 AromaticContact CE1-CD2 3.53Å; F205-F209 HydrophobicContact CE1-CD2 3.53Å; F205-F209 AromaticContact CE1-CE2 3.34Å; F205-F209 HydrophobicContact CE1-CE2 3.34Å; F205-F209 HydrophobicContact CE1-CG 4.36Å; F205-F209 HydrophobicContact CE1-CZ 4.02Å; F205-F209 HydrophobicContact CE2-CD2 4.26Å; F205-F209 AromaticContact CE2-CE2 3.66Å; F205-F209 HydrophobicContact CE2-CE2 3.66Å; F205-F209 HydrophobicContact CG-CD2 4.22Å; F205-F209 HydrophobicContact CG-CE2 4.42Å; F205-F209 AromaticContact CZ-CD2 3.83Å; F205-F209 HydrophobicContact CZ-CD2 3.83Å; F205-F209 AromaticContact CZ-CE2 3.16Å; F205-F209 HydrophobicContact CZ-CE2 3.16Å; F205-F209 AromaticContact CZ-CZ 3.81Å; F205-F209 HydrophobicContact CZ-CZ 3.81Å; F205-F209 WeakPolarHBondContact O-CD2 3.14Å; F205-F209 PolarHBondContact O-N 3.1Å
206V86.9Confident79.5Confident70 Ų70100.3 Ų100.342%0.42451%0.511SS..Hα-helixtrans-62-43.2174.6171.90000111L202 Y208 F209 V210L202-V206 HydrophobicContact CD2-CG2 3.81Å; L202-V206 WeakPolarHBondContact O-CB 3.37Å; L202-V206 WeakPolarHBondContact O-CG2 3.16Å; L202-V206 PolarHBondContact O-N 3.41Å; V206-Y208 VanDerWaalsContact C-N 3.29Å; V206-Y208 PolarHBondContact O-N 2.9Å; V206-F209 PolarHBondContact O-N 2.75Å; V206-V210 HydrophobicContact CG1-CG2 4.15Å; V206-V210 WeakPolarHBondContact O-CB 3.34Å; V206-V210 VanDerWaalsContact O-CG2 3.25Å; V206-V210 WeakPolarHBondContact O-CG2 3.43Å; V206-V210 PolarHBondContact O-N 2.91Å
207S83.4Confident78Confident68 Ų6898.4 Ų98.448%0.47651%0.507SS..Hα-helixtrans-62.7-36.617778.60000112.6F203 L204 F205 K211F203-S207 WeakPolarHBondContact O-CB 3.36Å; F203-S207 PolarHBondContact O-N 2.89Å; L204-S207 PolarHBondContact O-N 3.46Å; L204-S207 PolarHBondContact O-OG 3.24Å; F205-S207 PolarHBondContact O-N 2.86Å; S207-K211 WeakPolarHBondContact O-CB 3.33Å; S207-K211 PolarHBondContact O-N 3.12Å
208Y84.5Confident76.1Confident138 Ų13895.2 Ų95.254%0.54150%0.501SS..Hα-helixtrans-68.6-46.2175.3-179.6-95.6000111.2L204 F205 V206 K211 M212L204-Y208 WeakPolarHBondContact O-CB 3.19Å; L204-Y208 PolarHBondContact O-N 2.98Å; F205-Y208 PolarHBondContact O-N 2.78Å; V206-Y208 VanDerWaalsContact C-N 3.29Å; V206-Y208 PolarHBondContact O-N 2.9Å; Y208-K211 PolarHBondContact O-N 2.93Å; Y208-M212 HydrophobicContact CD1-CG 4.06Å; Y208-M212 HydrophobicContact CE1-CG 3.65Å; Y208-M212 HydrophobicContact CE2-CG 4.35Å; Y208-M212 WeakPolarHBondContact O-CB 3.4Å; Y208-M212 WeakPolarHBondContact O-CG 3.25Å; Y208-M212 PolarHBondContact O-N 3.17Å
209F80.8Confident74.4Confident103 Ų10396.4 Ų96.445%0.45251%0.506SS..Hα-helixtrans-64.4-40.3176.3-94.5-99000112.6F205 V206 K211 M212 C213F205-F209 AromaticContact CD1-CD2 3.74Å; F205-F209 HydrophobicContact CD1-CD2 3.74Å; F205-F209 AromaticContact CD1-CE2 3.99Å; F205-F209 HydrophobicContact CD1-CE2 3.99Å; F205-F209 HydrophobicContact CD2-CD2 4.44Å; F205-F209 HydrophobicContact CD2-CE2 4.26Å; F205-F209 AromaticContact CE1-CD2 3.53Å; F205-F209 HydrophobicContact CE1-CD2 3.53Å; F205-F209 AromaticContact CE1-CE2 3.34Å; F205-F209 HydrophobicContact CE1-CE2 3.34Å; F205-F209 HydrophobicContact CE1-CG 4.36Å; F205-F209 HydrophobicContact CE1-CZ 4.02Å; F205-F209 HydrophobicContact CE2-CD2 4.26Å; F205-F209 AromaticContact CE2-CE2 3.66Å; F205-F209 HydrophobicContact CE2-CE2 3.66Å; F205-F209 HydrophobicContact CG-CD2 4.22Å; F205-F209 HydrophobicContact CG-CE2 4.42Å; F205-F209 AromaticContact CZ-CD2 3.83Å; F205-F209 HydrophobicContact CZ-CD2 3.83Å; F205-F209 AromaticContact CZ-CE2 3.16Å; F205-F209 HydrophobicContact CZ-CE2 3.16Å; F205-F209 AromaticContact CZ-CZ 3.81Å; F205-F209 HydrophobicContact CZ-CZ 3.81Å; F205-F209 WeakPolarHBondContact O-CD2 3.14Å; F205-F209 PolarHBondContact O-N 3.1Å; V206-F209 PolarHBondContact O-N 2.75Å; F209-K211 VanDerWaalsContact C-N 3.34Å; F209-K211 PolarHBondContact O-N 3.11Å; F209-M212 CarbonylContact O-C 3.48Å; F209-M212 PolarHBondContact O-N 2.76Å; F209-C213 VanDerWaalsContact O-CB 3.3Å; F209-C213 WeakPolarHBondContact O-CB 3.47Å; F209-C213 PolarHBondContact O-N 3.31Å; F209-C213 PolarHBondContact O-SG 3.34Å
210V80.6Confident72.4Confident69 Ų6996.7 Ų96.742%0.41851%0.508SS..Hα-helixtrans-61-44.2173.1168.40000110.5V206 M212 C213 Y214V206-V210 HydrophobicContact CG1-CG2 4.15Å; V206-V210 WeakPolarHBondContact O-CB 3.34Å; V206-V210 VanDerWaalsContact O-CG2 3.25Å; V206-V210 WeakPolarHBondContact O-CG2 3.43Å; V206-V210 PolarHBondContact O-N 2.91Å; V210-M212 PolarHBondContact O-N 3.37Å; V210-C213 PolarHBondContact O-N 2.94Å; V210-Y214 HydrophobicContact CG1-CD2 3.68Å; V210-Y214 HydrophobicContact CG1-CE2 3.39Å; V210-Y214 WeakPolarHBondContact O-CD2 3.44Å; V210-Y214 PolarHBondContact O-N 3.28Å
211K77.4Confident70.3Confident152 Ų15296.6 Ų96.666%0.66151%0.507SS*.Hα-helixtrans-65.5-37.4175.9-163.2174.9-175.11790112.7S207 Y208 F209 T215S207-K211 WeakPolarHBondContact O-CB 3.33Å; S207-K211 PolarHBondContact O-N 3.12Å; Y208-K211 PolarHBondContact O-N 2.93Å; F209-K211 VanDerWaalsContact C-N 3.34Å; F209-K211 PolarHBondContact O-N 3.11Å; K211-T215 PolarHBondContact O-N 3.01Å; K211-T215 PolarHBondContact O-OG1 3.37Å
212M73.9Confident68.1Low90 Ų90102.5 Ų102.544%0.44352%0.521SS..Hα-helixtrans-69.9-35.1173.3-73.8-63.7-71.900112.3Y208 F209 V210 T215 S216Y208-M212 HydrophobicContact CD1-CG 4.06Å; Y208-M212 HydrophobicContact CE1-CG 3.65Å; Y208-M212 HydrophobicContact CE2-CG 4.35Å; Y208-M212 WeakPolarHBondContact O-CB 3.4Å; Y208-M212 WeakPolarHBondContact O-CG 3.25Å; Y208-M212 PolarHBondContact O-N 3.17Å; F209-M212 CarbonylContact O-C 3.48Å; F209-M212 PolarHBondContact O-N 2.76Å; V210-M212 PolarHBondContact O-N 3.37Å; M212-T215 WeakPolarHBondContact CA-OG1 3.49Å; M212-T215 PolarHBondContact O-OG1 3.08Å; M212-S216 WeakPolarHBondContact O-CA 3.4Å; M212-S216 WeakPolarHBondContact O-CB 3.36Å; M212-S216 PolarHBondContact O-N 2.81Å
213C65.9Low66Low71 Ų71100 Ų10048%0.4851%0.512SS..Hα-helixtrans-71.6-35.8174.3-74.50000111.3F209 V210 S217F209-C213 VanDerWaalsContact O-CB 3.3Å; F209-C213 WeakPolarHBondContact O-CB 3.47Å; F209-C213 PolarHBondContact O-N 3.31Å; F209-C213 PolarHBondContact O-SG 3.34Å; V210-C213 PolarHBondContact O-N 2.94Å; C213-S217 WeakPolarHBondContact O-CA 3.49Å; C213-S217 WeakPolarHBondContact O-CB 3.44Å; C213-S217 PolarHBondContact O-N 2.89Å; C213-S217 PolarHBondContact O-OG 3.13Å
214Y62.4Low63.9Low165 Ų165100 Ų10065%0.64752%0.516SS*.Hα-helixtrans-69.2-41.7172.3-77.7-59000112.4V210 S217 C218V210-Y214 HydrophobicContact CG1-CD2 3.68Å; V210-Y214 HydrophobicContact CG1-CE2 3.39Å; V210-Y214 WeakPolarHBondContact O-CD2 3.44Å; V210-Y214 PolarHBondContact O-N 3.28Å; Y214-S217 PolarHBondContact O-N 2.93Å; Y214-C218 WeakPolarHBondContact O-CB 3.39Å; Y214-C218 PolarHBondContact O-N 3.11Å; Y214-C218 PolarHBondContact O-SG 3.49Å
215T57.3Low61.8Low73 Ų73101.6 Ų101.645%0.44852%0.518SS..Hα-helixtrans-68.3-40.7174.847.10000112.1K211 M212 C218 T219K211-T215 PolarHBondContact O-N 3.01Å; K211-T215 PolarHBondContact O-OG1 3.37Å; M212-T215 WeakPolarHBondContact CA-OG1 3.49Å; M212-T215 PolarHBondContact O-OG1 3.08Å; T215-C218 PolarHBondContact O-N 3.25Å; T215-T219 WeakPolarHBondContact O-CG2 3.36Å; T215-T219 PolarHBondContact O-N 3.37Å; T215-T219 PolarHBondContact O-OG1 3.36Å
216S53.8Low59.7Low56 Ų56102.8 Ų102.839%0.39252%0.519SS..Hα-helixtrans-66.9-36.4173.7-176.10000113.1M212 T219 N220M212-S216 WeakPolarHBondContact O-CA 3.4Å; M212-S216 WeakPolarHBondContact O-CB 3.36Å; M212-S216 PolarHBondContact O-N 2.81Å; S216-T219 WeakPolarHBondContact CA-OG1 3.16Å; S216-T219 PolarHBondContact O-OG1 2.9Å; S216-N220 WeakPolarHBondContact O-CB 3.45Å; S216-N220 PolarHBondContact O-N 2.62Å; S216-N220 PolarHBondContact O-ND2 3.33Å; S216-N220 PolarHBondContact OG-ND2 3.17Å
217S50.8Low57.6Low61 Ų61106.2 Ų106.243%0.42753%0.53SS..Hα-helixtrans-72.4-36.4174.7-59.20000110.9C213 Y214 I221C213-S217 WeakPolarHBondContact O-CA 3.49Å; C213-S217 WeakPolarHBondContact O-CB 3.44Å; C213-S217 PolarHBondContact O-N 2.89Å; C213-S217 PolarHBondContact O-OG 3.13Å; Y214-S217 PolarHBondContact O-N 2.93Å; S217-I221 WeakPolarHBondContact O-CB 3.47Å; S217-I221 WeakPolarHBondContact O-CD1 3.32Å; S217-I221 WeakPolarHBondContact O-CG1 3.38Å; S217-I221 PolarHBondContact O-N 2.9Å
218C43.3Very low55.6Low79 Ų79106.4 Ų106.453%0.53453%0.532SS..Hα-helixtrans-69.2-39.2173.1-73.60000112.2Y214 T215 W222Y214-C218 WeakPolarHBondContact O-CB 3.39Å; Y214-C218 PolarHBondContact O-N 3.11Å; Y214-C218 PolarHBondContact O-SG 3.49Å; T215-C218 PolarHBondContact O-N 3.25Å; C218-W222 VanDerWaalsContact O-CD1 3.27Å; C218-W222 PolarHBondContact O-N 2.95Å
219T49.8Very low53.7Low89 Ų89103.4 Ų103.455%0.54653%0.528SS..Hα-helixtrans-74.1-30.3175.853.40000112.8T215 S216 S223T215-T219 WeakPolarHBondContact O-CG2 3.36Å; T215-T219 PolarHBondContact O-N 3.37Å; T215-T219 PolarHBondContact O-OG1 3.36Å; S216-T219 WeakPolarHBondContact CA-OG1 3.16Å; S216-T219 PolarHBondContact O-OG1 2.9Å; T219-S223 WeakPolarHBondContact O-CB 3.32Å; T219-S223 PolarHBondContact O-N 3.31Å; T219-S223 PolarHBondContact O-OG 3.14Å
220N44.8Very low51.9Low84 Ų84105.7 Ų105.745%0.44954%0.538SS..Hα-helixtrans-81.3-29.1172.8-73.9-54.5000113.7S216 W222 S223 M224S216-N220 WeakPolarHBondContact O-CB 3.45Å; S216-N220 PolarHBondContact O-N 2.62Å; S216-N220 PolarHBondContact O-ND2 3.33Å; S216-N220 PolarHBondContact OG-ND2 3.17Å; N220-W222 VanDerWaalsContact C-N 3.26Å; N220-W222 PolarHBondContact O-N 2.86Å; N220-S223 WeakPolarHBondContact CA-OG 3.48Å; N220-S223 PolarHBondContact O-OG 3.22Å; N220-S223 PolarHBondContact OD1-OG 2.74Å; N220-M224 WeakPolarHBondContact O-CA 3.44Å; N220-M224 WeakPolarHBondContact O-CB 3.49Å; N220-M224 PolarHBondContact O-N 2.97Å
221I43.9Very low50.2Low110 Ų110105.3 Ų105.356%0.56454%0.542SS*.Hα-helixtrans-69.8-28168.2-70.1165.6000110.3S217 K225S217-I221 WeakPolarHBondContact O-CB 3.47Å; S217-I221 WeakPolarHBondContact O-CD1 3.32Å; S217-I221 WeakPolarHBondContact O-CG1 3.38Å; S217-I221 PolarHBondContact O-N 2.9Å; I221-K225 WeakPolarHBondContact O-CB 3.31Å; I221-K225 PolarHBondContact O-N 3.19Å
222W41.4Very low48.6Very low182 Ų182104.6 Ų104.669%0.68955%0.545SS*.Hα-helixtrans-78.2-44.8169-83.263000112.8C218 N220 Y226C218-W222 VanDerWaalsContact O-CD1 3.27Å; C218-W222 PolarHBondContact O-N 2.95Å; N220-W222 VanDerWaalsContact C-N 3.26Å; N220-W222 PolarHBondContact O-N 2.86Å; W222-Y226 HydrophobicContact CE3-CE2 4.17Å; W222-Y226 HydrophobicContact CZ3-CE2 4.43Å; W222-Y226 WeakPolarHBondContact O-CD2 3.34Å; W222-Y226 PolarHBondContact O-N 2.68Å; W222-Y226 VanDerWaalsContact O-N 3.15Å
223S44.8Very low47.3Very low51 Ų51105.6 Ų105.636%0.35755%0.551SS.*Hα-helixtrans-68.1-44179.473.70000112.5T219 N220 K225 Y226 H227T219-S223 WeakPolarHBondContact O-CB 3.32Å; T219-S223 PolarHBondContact O-N 3.31Å; T219-S223 PolarHBondContact O-OG 3.14Å; N220-S223 WeakPolarHBondContact CA-OG 3.48Å; N220-S223 PolarHBondContact O-OG 3.22Å; N220-S223 PolarHBondContact OD1-OG 2.74Å; S223-K225 PolarHBondContact O-N 2.99Å; S223-Y226 CarbonylContact O-C 3.3Å; S223-Y226 PolarHBondContact O-N 2.88Å; S223-H227 PolarHBondContact O-CD2 3.35Å; S223-H227 PolarHBondContact O-N 3.43Å
224M43.5Very low46.2Very low141 Ų141108 Ų10870%0.69556%0.559SS**Hα-helixtrans-74.6-26.1-178.2-152.8174.5-155.600112.2N220 S228N220-M224 WeakPolarHBondContact O-CA 3.44Å; N220-M224 WeakPolarHBondContact O-CB 3.49Å; N220-M224 PolarHBondContact O-N 2.97Å; M224-S228 WeakPolarHBondContact O-CB 3.44Å; M224-S228 PolarHBondContact O-N 2.82Å
225K41.7Very low45.2Very low153 Ų153106.1 Ų106.167%0.66556%0.558SS**Hα-helixtrans-80.9-14.3171.3-158.2172.4-169.9-179.90113.5I221 S223 T229I221-K225 WeakPolarHBondContact O-CB 3.31Å; I221-K225 PolarHBondContact O-N 3.19Å; S223-K225 PolarHBondContact O-N 2.99Å; K225-T229 PolarHBondContact O-OG1 3.5Å
226Y43.3Very low44.5Very low153 Ų153109.7 Ų109.760%0.658%0.575SS**Hα-helixtrans-91.2-23.5166.2-93-91.1000113.9W222 S223W222-Y226 HydrophobicContact CE3-CE2 4.17Å; W222-Y226 HydrophobicContact CZ3-CE2 4.43Å; W222-Y226 WeakPolarHBondContact O-CD2 3.34Å; W222-Y226 PolarHBondContact O-N 2.68Å; W222-Y226 VanDerWaalsContact O-N 3.15Å; S223-Y226 CarbonylContact O-C 3.3Å; S223-Y226 PolarHBondContact O-N 2.88Å
227H42.1Very low44.1Very low142 Ų142114.6 Ų114.666%0.65759%0.592SS**Hα-helixtrans-91.9-34.9175.3-86.4-82.2000114S223 K230 A231S223-H227 PolarHBondContact O-CD2 3.35Å; S223-H227 PolarHBondContact O-N 3.43Å; H227-K230 PolarHBondContact O-N 3.12Å; H227-A231 PolarHBondContact O-N 3.01Å
228S41.4Very low43.8Very low73 Ų73116.6 Ų116.651%0.5160%0.601SS.*Hα-helixtrans-71-32.8178.4-171.90000112.7M224 K230M224-S228 WeakPolarHBondContact O-CB 3.44Å; M224-S228 PolarHBondContact O-N 2.82Å; S228-K230 VanDerWaalsContact C-N 3.33Å
229T44.7Very low43.7Very low74 Ų74119.7 Ų119.745%0.45461%0.608SS.*Hα-helixtrans-74.2-19.4173.244.10000113.7K225 I233K225-T229 PolarHBondContact O-OG1 3.5Å; T229-I233 WeakPolarHBondContact O-CD1 3.25Å; T229-I233 WeakPolarHBondContact O-CG1 3.29Å
230K43.5Very low43.4Very low152 Ų152119.7 Ų119.766%0.66162%0.617SS**Hα-helixtrans-87.3-21.4174-82.4-168.9170.5-170.70114.3H227 S228H227-K230 PolarHBondContact O-N 3.12Å; S228-K230 VanDerWaalsContact C-N 3.33Å
231A44.5Very low43.5Very low60 Ų60123.7 Ų123.750%0.49663%0.633SS.*Hα-helixtrans-78.9-35.4-179.900000113.3H227H227-A231 PolarHBondContact O-N 3.01Å
232N44.1Very low43.6Very low137 Ų137121.7 Ų121.773%0.73363%0.629SS**THydrogen-bonded Turntrans-103.39.1-174-71-2.5000114.7
233I47.3Very low43.9Very low111 Ų111120.1 Ų120.157%0.56963%0.634SS**THydrogen-bonded Turntrans-112.8-14.4174.4-59.8-179.3000111.2T229 I235T229-I233 WeakPolarHBondContact O-CD1 3.25Å; T229-I233 WeakPolarHBondContact O-CG1 3.29Å; I233-I235 VanDerWaalsContact C-N 3.29Å; I233-I235 PolarHBondContact O-N 2.66Å
234L41.2Very low43.8Very low123 Ų123128.2 Ų128.264%0.64466%0.657SS**THydrogen-bonded Turntrans-82.55.3-177.5-141.186000115.2T238L234-T238 PolarHBondContact O-OG1 3.29Å
235I42.2Very low43.7Very low124 Ų124130.7 Ų130.764%0.63666%0.66SS**THydrogen-bonded Turntrans-98.4-21.6-175.6-63.9179.8000112.4I233I233-I235 VanDerWaalsContact C-N 3.29Å; I233-I235 PolarHBondContact O-N 2.66Å
236D42.2Very low43.6Very low149 Ų149130.3 Ų130.380%0.79767%0.665SS**SBendtrans-107.2-9.4-170.1-136.88.8000114.8
237E45.1Very low43.2Very low159 Ų159133 Ų13374%0.74370%0.703SS**SBendtrans-113.3-9.9179.4-75.8-171.1145.300115
238T45.5Very low43.2Very low102 Ų102132.5 Ų132.563%0.62671%0.706SS**SBendtrans-95.1-1.517450.80000114.5L234L234-T238 PolarHBondContact O-OG1 3.29Å
239Q41.4Very low43.3Very low144 Ų144135.6 Ų135.667%0.67372%0.716SS**SBendtrans-106.3-4176-130.9170.4-35.700113.7
240A43.5Very low43.3Very low89 Ų89139.1 Ų139.174%0.73673%0.731SS**SBendtrans-85.8-3.5176.100000114.3
241E46.6Very low43.2Very low168 Ų168138.3 Ų138.379%0.78574%0.735SS**SBendtrans-124.3-2.5-171.9-150.4160.6-145.800115
242S46.2Very low43.2Very low69 Ų69143.2 Ų143.248%0.48375%0.75SS.*SBendtrans-91.1-31.4173.160.30000114.5R244 Y245S242-R244 PolarHBondContact O-N 3.4Å; S242-Y245 PolarHBondContact O-N 2.77Å
243D47.4Very low43.1Very low149 Ų149143.6 Ų143.680%0.79775%0.751SS**THydrogen-bonded Turntrans-78.123.7-175.7-68.510.6000112.9
244R42.8Very low42.8Very low220 Ų220145.9 Ų145.983%0.8376%0.764SS**THydrogen-bonded Turntrans-107.10174.1-122.7-178.1-160.4-179.78.6114.1S242S242-R244 PolarHBondContact O-N 3.4Å
245Y41.6Very low42.9Very low194 Ų194147.7 Ų147.776%0.76177%0.773SS**SBendtrans-137.3119.6177.1-83.1-83.8000113.1S242S242-Y245 PolarHBondContact O-N 2.77Å
246N38.3Very low43Very low144 Ų144149.7 Ų149.777%0.7778%0.784SS**  trans80.7109157.4-49.5-30.1000118.8
247C35.4Very low43.1Very low209 Ų209149.7 Ų149.7100%1.41278%0.783SS**  trans60.30143.6-580000119

Retrieved 247 of 247 residues in 78.9 ms (Link to these results)

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