G4VR32_SCHMA Loading...

S-(hydroxymethyl)glutathione dehydrogenase

AlphaFold DB , UniProt , Accession G4VR32, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 381 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
1M35.6Very low70.6Confident236 Ų236108.1 Ų108.1100%1.16357%0.57SS**  095.20-74.2176.4-177.900107.1
2Y37.4Very low72.9Confident211 Ų21199.7 Ų99.783%0.82753%0.526SS*.  trans-82.4113170.5-79.1-87.6000106.5P89Y2-P89 HydrophobicContact CE1-CB 4.13Å
3T43Very low74.9Confident106 Ų10698.3 Ų98.365%0.6551%0.513SS*.  trans-68.6150.2-175.944.70000111.4S5T3-S5 PolarHBondContact O-N 3.17Å
4S52.9Low76.6Confident100 Ų10091.3 Ų91.370%0.69948%0.477SS*.G310 helixtrans-65.69.3-172.758.10000116.3V6S4-V6 VanDerWaalsContact C-N 3.28Å; S4-V6 PolarHBondContact O-N 2.84Å
5S63.8Low78.1Confident25 Ų2585.2 Ų85.218%0.17545%0.445CS..G310 helixtrans-75.7-8.9-170.548.20000114.9T3 N7 E8 R40 E78T3-S5 PolarHBondContact O-N 3.17Å; S5-N7 PolarHBondContact O-N 3.3Å; S5-E8 PolarHBondContact O-N 3.35Å; S5-R40 PolarHBondContact O-NH2 3.09Å; S5-E78 WeakPolarHBondContact CB-OE1 3.46Å; S5-E78 PolarHBondContact OG-OE1 3.29Å
6V73.2Confident79.4Confident64 Ų6479.9 Ų79.939%0.38842%0.417SS..G310 helixtrans-51.9-35.5-169.3178.70000113.4S4S4-V6 VanDerWaalsContact C-N 3.28Å; S4-V6 PolarHBondContact O-N 2.84Å
7N83.7Confident80.5Confident138 Ų13875.2 Ų75.274%0.73839%0.392SS*.G310 helixtrans-115.510.6-178.4-67.1-25.5000113.7S5S5-N7 PolarHBondContact O-N 3.3Å
8E94.1Very high81.5Confident110 Ų11073.8 Ų73.851%0.51438%0.381SS..SBendtrans-109.1144.4-177.4-65.5-175.8170.700110.8S5 R40S5-E8 PolarHBondContact O-N 3.35Å; E8-R40 PolarHBondContact O-NH1 2.82Å; E8-R40 PolarHBondContact O-NH2 3.33Å
9P96.9Very high82.4Confident68 Ų6876.1 Ų76.144%0.44239%0.39SS..PPolyproline II helixtrans-59.8141168.4-2031.9000111.4E30 V31P9-E30 HydrophobicContact CB-CG 3.57Å; P9-E30 HydrophobicContact CG-CG 4.48Å; P9-V31 CarbonylContact C-O 3.42Å; P9-V31 WeakPolarHBondContact CA-O 3.39Å
10I98.1Very high83.1Confident24 Ų2475.4 Ų75.412%0.12339%0.39CS..EExtended strand (participates in β ladder)trans-100.6130.2173.6-70.1175.7000108.7C12 E30 V31 R40 E78 Y153I10-C12 HydrophobicContact CG2-CB 4.05Å; I10-E30 WeakPolarHBondContact O-CA 3.48Å; I10-V31 PolarHBondContact N-O 3.17Å; I10-V31 PolarHBondContact O-N 3.02Å; I10-R40 VanDerWaalsContact CD1-CZ 3.45Å; I10-E78 HydrophobicContact CD1-CG 4.46Å; I10-Y153 HydrophobicContact CD1-CD1 3.87Å; I10-Y153 HydrophobicContact CD1-CE1 3.88Å; I10-Y153 HydrophobicContact CD1-CG 4.23Å; I10-Y153 HydrophobicContact CG2-CD2 3.73Å; I10-Y153 HydrophobicContact CG2-CE2 3.94Å; I10-Y153 HydrophobicContact CG2-CG 4.18Å
11I98.1Very high83.8Confident107 Ų10776.1 Ų76.155%0.54940%0.402SS..EExtended strand (participates in β ladder)trans-90.1121.1166.4-54.1-56.4000108.3E28 V29 E30I11-E28 HydrophobicContact CG2-CB 4.11Å; I11-V29 WeakPolarHBondContact CA-O 3.21Å; I11-E30 HydrophobicContact CD1-CB 3.78Å; I11-E30 HydrophobicContact CD1-CG 4.09Å
12C98.3Very high86.8Confident7 Ų770.5 Ų70.55%0.04737%0.371CS..EExtended strand (participates in β ladder)trans-147.4172.4-179.274.60000112.4I10 E28 V29 V31 E152 Y153I10-C12 HydrophobicContact CG2-CB 4.05Å; C12-E28 CarbonylContact O-C 3.51Å; C12-E28 WeakPolarHBondContact O-CA 3.36Å; C12-V29 PolarHBondContact N-O 3.43Å; C12-V29 PolarHBondContact O-N 3.47Å; C12-V31 VanDerWaalsContact SG-CG2 3.6Å; C12-E152 HydrophobicContact CB-CB 3.89Å; C12-E152 WeakPolarHBondContact CB-OE2 3.4Å; C12-Y153 HydrophobicContact CB-CD2 3.79Å; C12-Y153 HydrophobicContact CB-CE2 4.38Å
13K98.6Very high89.7Confident82 Ų8264.8 Ų64.836%0.35736%0.36SS..EExtended strand (participates in β ladder)trans-80.4142175.3-61.3-64.5177.9-170.60111.5I26 E27 E28 S151 E152 L356K13-I26 HydrophobicContact CD-CG2 4.41Å; K13-E27 WeakPolarHBondContact CA-O 3.3Å; K13-E28 HydrophobicContact CD-CG 3.96Å; K13-E28 VanDerWaalsContact NZ-CD 3.32Å; K13-E28 IonicContact NZ-OE1 2.92Å; K13-E28 PolarHBondContact NZ-OE1 3.04Å; K13-S151 PolarHBondContact O-OG 2.89Å; K13-E152 HydrophobicContact CB-CG 4.32Å; K13-E152 PolarHBondContact N-OE2 3.27Å; K13-E152 PolarHBondContact O-N 3.37Å; K13-L356 HydrophobicContact CB-CD2 3.9Å
14A98.8Very high92.3Very high0 Ų060 Ų600%033%0.33CS..EExtended strand (participates in β ladder)trans-146.6155.4169.300000111I26 E27 V29 I68 F150A14-I26 WeakPolarHBondContact O-CA 3.14Å; A14-E27 PolarHBondContact N-O 2.78Å; A14-E27 PolarHBondContact O-N 3.14Å; A14-V29 HydrophobicContact CB-CB 4.43Å; A14-V29 HydrophobicContact CB-CG1 3.84Å; A14-V29 HydrophobicContact CB-CG2 3.66Å; A14-I68 HydrophobicContact CB-CD1 3.73Å; A14-I68 HydrophobicContact CB-CG1 4.21Å; A14-F150 CarbonylContact C-O 3.57Å; A14-F150 WeakPolarHBondContact CA-O 3.4Å
15A98.8Very high94.5Very high0 Ų058 Ų580%031%0.314CS..EExtended strand (participates in β ladder)trans-92.8107.5167.600000109.3L24 I26 F150 L356 I359A15-L24 HydrophobicContact CB-CB 4.14Å; A15-L24 HydrophobicContact CB-CD1 4.08Å; A15-I26 HydrophobicContact CB-CD1 3.75Å; A15-F150 HydrophobicContact CB-CB 4.19Å; A15-F150 PolarHBondContact N-O 2.79Å; A15-L356 HydrophobicContact CB-CD1 3.91Å; A15-I359 HydrophobicContact CB-CD1 4.04Å; A15-I359 HydrophobicContact CB-CG2 3.91Å
16V98.9Very high96.2Very high0 Ų059.6 Ų59.60%032%0.32CS..EExtended strand (participates in β ladder)trans-96.7127-178-176.60000109.6W18 V25 E27 V29 P66 I68 V141V16-W18 HydrophobicContact CG1-CD2 4Å; V16-W18 HydrophobicContact CG1-CG 4.26Å; V16-W18 HydrophobicContact CG1-CZ2 4.22Å; V16-V25 PolarHBondContact N-O 3.14Å; V16-V25 PolarHBondContact O-N 2.98Å; V16-E27 HydrophobicContact CB-CG 4.17Å; V16-E27 HydrophobicContact CG2-CB 4.04Å; V16-E27 HydrophobicContact CG2-CG 3.92Å; V16-V29 HydrophobicContact CG2-CG1 3.91Å; V16-P66 HydrophobicContact CG1-CB 4.23Å; V16-I68 HydrophobicContact CG2-CG1 4.2Å; V16-V141 HydrophobicContact CG1-CG1 4.15Å
17A98.8Very high97.4Very high0 Ų057.3 Ų57.30%031%0.305CS..EExtended strand (participates in β ladder)trans-87.1105.9165.700000108.1L24 L56 F65 P66 V67 L69A17-L24 HydrophobicContact CB-CD2 3.48Å; A17-L24 VanDerWaalsContact CB-CD2 3.48Å; A17-L56 HydrophobicContact CB-CD1 3.79Å; A17-F65 HydrophobicContact CB-CD1 3.99Å; A17-F65 HydrophobicContact CB-CE1 3.77Å; A17-F65 WeakPolarHBondContact O-CD1 3.4Å; A17-P66 CarbonylContact O-C 3.55Å; A17-P66 WeakPolarHBondContact O-CA 3.5Å; A17-V67 HydrophobicContact CB-CG1 3.92Å; A17-V67 PolarHBondContact N-O 3.37Å; A17-V67 PolarHBondContact O-N 2.94Å; A17-L69 HydrophobicContact CB-CD1 4.31Å; A17-L69 HydrophobicContact CB-CG 4.46Å
18W98.5Very high98.1Very high51 Ų5156.5 Ų56.519%0.19330%0.297CS..  trans-80-35.2-179.4-74.1105.5000113V16 E27 P66 C136V16-W18 HydrophobicContact CG1-CD2 4Å; V16-W18 HydrophobicContact CG1-CG 4.26Å; V16-W18 HydrophobicContact CG1-CZ2 4.22Å; W18-E27 HydrophobicContact CZ2-CG 4.33Å; W18-E27 PolarHBondContact NE1-OE1 2.82Å; W18-P66 HydrophobicContact CD2-CB 4.28Å; W18-P66 HydrophobicContact CE3-CB 3.55Å; W18-P66 HydrophobicContact CE3-CG 4.03Å; W18-P66 HydrophobicContact CZ3-CB 3.89Å; W18-P66 HydrophobicContact CZ3-CG 3.93Å; W18-C136 HydrophobicContact CH2-CB 4.02Å; W18-C136 HydrophobicContact CZ2-CB 4.19Å
19E97.8Very high98.3Very high116 Ų11651.2 Ų51.254%0.54227%0.272SS..SBendtrans-147.2153-174.5-71.3173.7-125.700109.5K22E19-K22 HydrophobicContact CB-CB 4.42Å; E19-K22 HydrophobicContact CB-CG 3.83Å
20P97.4Very high98.4Very high62 Ų6251 Ų5140%0.40327%0.265SS..THydrogen-bonded Turntrans-63.1148.8174.427.5-35.1000111.6K22 L56 F65P20-K22 PolarHBondContact O-N 3.44Å; P20-K22 VanDerWaalsContact O-N 3.11Å; P20-L56 CarbonylContact C-O 3.56Å; P20-L56 WeakPolarHBondContact CA-O 3.08Å; P20-F65 HydrophobicContact CB-CE2 3.97Å; P20-F65 HydrophobicContact CB-CZ 3.91Å; P20-F65 HydrophobicContact CG-CE2 4.49Å
21S96.7Very high98.4Very high91 Ų9149.8 Ų49.864%0.63626%0.259SS*.THydrogen-bonded Turntrans56.821.6179-71.50000114.7L56 G57S21-L56 PolarHBondContact N-O 3.28Å; S21-G57 PolarHBondContact OG-O 2.93Å
22K98.3Very high98.4Very high119 Ų11945.9 Ų45.952%0.51724%0.243SC..SBendtrans-109.5150.7172-62.7-59.1-175.5-179.40111E19 P20E19-K22 HydrophobicContact CB-CB 4.42Å; E19-K22 HydrophobicContact CB-CG 3.83Å; P20-K22 PolarHBondContact O-N 3.44Å; P20-K22 VanDerWaalsContact O-N 3.11Å
23P98.3Very high98.4Very high91 Ų9147.1 Ų47.159%0.59125%0.251SS*.  trans-56.7145.4171.2-23.533.9000111.6N360P23-N360 WeakPolarHBondContact CA-OD1 3.33Å
24L98.8Very high98.4Very high5 Ų543.9 Ų43.93%0.02624%0.238CC..  trans-64.2138.8171.3-59.5176.2000109.8A15 A17 L56 L69 F150 I359 N360 F363A15-L24 HydrophobicContact CB-CB 4.14Å; A15-L24 HydrophobicContact CB-CD1 4.08Å; A17-L24 HydrophobicContact CB-CD2 3.48Å; A17-L24 VanDerWaalsContact CB-CD2 3.48Å; L24-L56 HydrophobicContact CD2-CD1 3.77Å; L24-L56 HydrophobicContact CD2-CD2 4.21Å; L24-L56 HydrophobicContact CG-CD2 4.2Å; L24-L69 HydrophobicContact CD2-CD1 4.28Å; L24-F150 HydrophobicContact CD1-CD2 4.39Å; L24-I359 HydrophobicContact CB-CG2 4.26Å; L24-I359 HydrophobicContact CD1-CD1 3.91Å; L24-I359 HydrophobicContact CD1-CG1 4.12Å; L24-I359 HydrophobicContact CD1-CG2 3.94Å; L24-N360 PolarHBondContact N-OD1 2.83Å; L24-N360 PolarHBondContact O-ND2 2.64Å; L24-F363 HydrophobicContact CD1-CD2 4.11Å; L24-F363 HydrophobicContact CD1-CE2 3.5Å; L24-F363 VanDerWaalsContact CD1-CE2 3.5Å; L24-F363 HydrophobicContact CD1-CZ 4.2Å
25V98.7Very high98.3Very high59 Ų5946.3 Ų46.336%0.35826%0.255SS..EExtended strand (participates in β ladder)trans-104.7131176.2-173.70000108.9V16 E27V16-V25 PolarHBondContact N-O 3.14Å; V16-V25 PolarHBondContact O-N 2.98Å; V25-E27 HydrophobicContact CB-CG 4.38Å; V25-E27 HydrophobicContact CG1-CG 4.12Å; V25-E27 VanDerWaalsContact CG1-OE1 3.23Å; V25-E27 WeakPolarHBondContact CG1-OE1 3.45Å; V25-E27 PolarHBondContact O-N 2.74Å
26I98.7Very high98.2Very high58 Ų5850.2 Ų50.230%0.29728%0.282SS..EExtended strand (participates in β ladder)trans-82.1112.3175.6-49.5-57.7000108.3K13 A14 A15 L356 I359K13-I26 HydrophobicContact CD-CG2 4.41Å; A14-I26 WeakPolarHBondContact O-CA 3.14Å; A15-I26 HydrophobicContact CB-CD1 3.75Å; I26-L356 HydrophobicContact CD1-CD1 4.43Å; I26-L356 HydrophobicContact CD1-CG 4.25Å; I26-L356 WeakPolarHBondContact CD1-O 3.37Å; I26-I359 HydrophobicContact CD1-CG2 3.96Å
27E98.6Very high98.1Very high16 Ų1651.4 Ų51.48%0.07530%0.295CS..EExtended strand (participates in β ladder)trans-117.7163-174.8-60-78-177.400110.7K13 A14 V16 W18 V25 V29 C136 R137K13-E27 WeakPolarHBondContact CA-O 3.3Å; A14-E27 PolarHBondContact N-O 2.78Å; A14-E27 PolarHBondContact O-N 3.14Å; V16-E27 HydrophobicContact CB-CG 4.17Å; V16-E27 HydrophobicContact CG2-CB 4.04Å; V16-E27 HydrophobicContact CG2-CG 3.92Å; W18-E27 HydrophobicContact CZ2-CG 4.33Å; W18-E27 PolarHBondContact NE1-OE1 2.82Å; V25-E27 HydrophobicContact CB-CG 4.38Å; V25-E27 HydrophobicContact CG1-CG 4.12Å; V25-E27 VanDerWaalsContact CG1-OE1 3.23Å; V25-E27 WeakPolarHBondContact CG1-OE1 3.45Å; V25-E27 PolarHBondContact O-N 2.74Å; E27-V29 HydrophobicContact CB-CG1 4.2Å; E27-C136 VanDerWaalsContact CB-SG 3.54Å; E27-R137 IonicContact OE1-CZ 3.35Å; E27-R137 IonicContact OE1-NE 3.23Å; E27-R137 PolarHBondContact OE1-NE 3.07Å; E27-R137 IonicContact OE1-NH1 2.78Å; E27-R137 IonicContact OE1-NH2 2.89Å; E27-R137 PolarHBondContact OE1-NH2 2.81Å; E27-R137 IonicContact OE2-CZ 2.8Å; E27-R137 VanDerWaalsContact OE2-CZ 3.25Å; E27-R137 IonicContact OE2-NE 2.76Å; E27-R137 PolarHBondContact OE2-NE 3.26Å; E27-R137 IonicContact OE2-NH2 3.28Å; E27-R137 PolarHBondContact OE2-NH2 2.81Å
28E98.5Very high98.1Very high120 Ų12051.6 Ų51.656%0.56130%0.296SS*.EExtended strand (participates in β ladder)trans-88123.8156.5-69.4-178.7162.300108.8I11 C12 K13I11-E28 HydrophobicContact CG2-CB 4.11Å; C12-E28 CarbonylContact O-C 3.51Å; C12-E28 WeakPolarHBondContact O-CA 3.36Å; K13-E28 HydrophobicContact CD-CG 3.96Å; K13-E28 VanDerWaalsContact NZ-CD 3.32Å; K13-E28 IonicContact NZ-OE1 2.92Å; K13-E28 PolarHBondContact NZ-OE1 3.04Å
29V98.7Very high98.1Very high0 Ų049.2 Ų49.20%029%0.287CS..EExtended strand (participates in β ladder)trans-117.1146.2-179.8-56.30000110I11 C12 A14 V16 E27 V31 I68 K135 C136I11-V29 WeakPolarHBondContact CA-O 3.21Å; C12-V29 PolarHBondContact N-O 3.43Å; C12-V29 PolarHBondContact O-N 3.47Å; A14-V29 HydrophobicContact CB-CB 4.43Å; A14-V29 HydrophobicContact CB-CG1 3.84Å; A14-V29 HydrophobicContact CB-CG2 3.66Å; V16-V29 HydrophobicContact CG2-CG1 3.91Å; E27-V29 HydrophobicContact CB-CG1 4.2Å; V29-V31 HydrophobicContact CG2-CG2 4.08Å; V29-I68 HydrophobicContact CG1-CD1 4.45Å; V29-I68 HydrophobicContact CG2-CD1 4.41Å; V29-K135 CarbonylContact C-O 3.59Å; V29-K135 WeakPolarHBondContact CA-O 3.26Å; V29-C136 HydrophobicContact CG1-CB 3.96Å
30E98.6Very high98.1Very high62 Ų6243.7 Ų43.729%0.2926%0.261SS..EExtended strand (participates in β ladder)trans-89.7119.4169.3-179.7-168.6128.900108.7P9 I10 I11 F134 K135P9-E30 HydrophobicContact CB-CG 3.57Å; P9-E30 HydrophobicContact CG-CG 4.48Å; I10-E30 WeakPolarHBondContact O-CA 3.48Å; I11-E30 HydrophobicContact CD1-CB 3.78Å; I11-E30 HydrophobicContact CD1-CG 4.09Å; E30-F134 WeakPolarHBondContact O-CA 3.26Å; E30-K135 HydrophobicContact CB-CB 4.28Å; E30-K135 PolarHBondContact N-O 3.06Å; E30-K135 PolarHBondContact O-N 2.69Å; E30-K135 IonicContact OE1-NZ 3.22Å
31V98.7Very high98.2Very high0 Ų040.7 Ų40.70%024%0.242CC..EExtended strand (participates in β ladder)trans-104.2106.1175.7-169.60000108.8P9 I10 C12 V29 R40 R133 F134 V155P9-V31 CarbonylContact C-O 3.42Å; P9-V31 WeakPolarHBondContact CA-O 3.39Å; I10-V31 PolarHBondContact N-O 3.17Å; I10-V31 PolarHBondContact O-N 3.02Å; C12-V31 VanDerWaalsContact SG-CG2 3.6Å; V29-V31 HydrophobicContact CG2-CG2 4.08Å; V31-R40 PolarHBondContact O-NH1 3.08Å; V31-R133 WeakPolarHBondContact CA-O 3.32Å; V31-F134 HydrophobicContact CB-CD1 4.44Å; V31-F134 HydrophobicContact CB-CE1 4.4Å; V31-F134 HydrophobicContact CG1-CD1 4.26Å; V31-F134 HydrophobicContact CG1-CE1 3.89Å; V31-F134 HydrophobicContact CG2-CD1 3.89Å; V31-F134 HydrophobicContact CG2-CE1 3.81Å; V31-V155 HydrophobicContact CG1-CG2 3.85Å
32A98.3Very high98.3Very high25 Ų2539 Ų3921%0.20722%0.223CC..PPolyproline II helixtrans-57.5153.517800000111.9R133 V155A32-R133 HydrophobicContact CB-CB 4.41Å; A32-R133 PolarHBondContact N-O 2.91Å; A32-V155 WeakPolarHBondContact O-CG2 3.44Å
33P98Very high98.3Very high33 Ų3333.4 Ų33.421%0.21420%0.198CC..PPolyproline II helixtrans-62156.9171.629.2-36.5000111.5
34P98Very high98.3Very high13 Ų1333.6 Ų33.68%0.08419%0.188CC..PPolyproline II helixtrans-68.1133.717727.7-31.1000111.2E38 R40 S79 V155P34-E38 HydrophobicContact CB-CB 3.84Å; P34-E38 WeakPolarHBondContact CB-O 3.07Å; P34-R40 HydrophobicContact CB-CB 4.46Å; P34-R40 HydrophobicContact CG-CB 4.12Å; P34-S79 WeakPolarHBondContact CD-OG 3.43Å; P34-V155 HydrophobicContact CB-CG1 4.25Å
35S96.5Very high98.2Very high51 Ų5133.4 Ų33.436%0.35719%0.187SC..  trans-83.6-175.5169.7-61.90000111.4G37 E38 G81 R133S35-G37 PolarHBondContact O-N 3.21Å; S35-E38 WeakPolarHBondContact CB-OE2 3.44Å; S35-E38 PolarHBondContact N-OE2 3.42Å; S35-E38 VanDerWaalsContact O-CB 3.3Å; S35-E38 WeakPolarHBondContact O-CB 3.13Å; S35-E38 PolarHBondContact O-N 3.12Å; S35-G81 WeakPolarHBondContact O-CA 3.47Å; S35-R133 PolarHBondContact OG-NH2 3.36Å
36S96.6Very high98.2Very high82 Ų8230.6 Ų30.657%0.57317%0.17SC*.THydrogen-bonded Turntrans-55.2131.4-179.7-177.20000112.6E38 E82S36-E38 PolarHBondContact O-N 2.79Å; S36-E82 CarbonylContact C-O 3.57Å; S36-E82 WeakPolarHBondContact CA-O 3.28Å; S36-E82 PolarHBondContact OG-O 3.07Å
37G97.2Very high98.2Very high26 Ų2627.8 Ų27.827%0.26816%0.156SC..THydrogen-bonded Turntrans72.110.2-176.500000115.2S35 E82 E158S35-G37 PolarHBondContact O-N 3.21Å; G37-E82 PolarHBondContact N-O 2.84Å; G37-E158 WeakPolarHBondContact O-CB 3.36Å; G37-E158 PolarHBondContact O-N 2.96Å
38E98.5Very high98.1Very high4 Ų427 Ų272%0.01915%0.152CC..EExtended strand (participates in β ladder)trans-112158.3-179.7-57.3176.9168.200112.5P34 S35 S36 G81 V84 M127 R133 V155 L156P34-E38 HydrophobicContact CB-CB 3.84Å; P34-E38 WeakPolarHBondContact CB-O 3.07Å; S35-E38 WeakPolarHBondContact CB-OE2 3.44Å; S35-E38 PolarHBondContact N-OE2 3.42Å; S35-E38 VanDerWaalsContact O-CB 3.3Å; S35-E38 WeakPolarHBondContact O-CB 3.13Å; S35-E38 PolarHBondContact O-N 3.12Å; S36-E38 PolarHBondContact O-N 2.79Å; E38-G81 PolarHBondContact O-N 3.14Å; E38-V84 WeakPolarHBondContact O-CG2 3.39Å; E38-M127 HydrophobicContact CB-CE 4.43Å; E38-M127 HydrophobicContact CG-CE 3.75Å; E38-M127 VanDerWaalsContact OE1-CE 3.23Å; E38-M127 WeakPolarHBondContact OE1-CE 3.48Å; E38-R133 IonicContact OE1-CZ 3.25Å; E38-R133 IonicContact OE1-NE 3.01Å; E38-R133 IonicContact OE1-NH2 3.43Å; E38-R133 PolarHBondContact OE1-NH2 3.06Å; E38-R133 IonicContact OE2-CZ 2.83Å; E38-R133 VanDerWaalsContact OE2-CZ 3.26Å; E38-R133 IonicContact OE2-NE 2.9Å; E38-R133 PolarHBondContact OE2-NE 2.86Å; E38-R133 IonicContact OE2-NH2 3.42Å; E38-R133 PolarHBondContact OE2-NH2 3.43Å; E38-V155 HydrophobicContact CB-CG1 3.9Å; E38-L156 CarbonylContact C-O 3.59Å; E38-L156 WeakPolarHBondContact CA-O 3.28Å
39V98.7Very high97.9Very high0 Ų021.7 Ų21.70%013%0.128CC..EExtended strand (participates in β ladder)trans-134.7130.3-177.5-1790000108.6I41 V77 V80 V84 V87 V155 L156 E158 L161V39-I41 HydrophobicContact CG1-CG1 4.02Å; V39-V77 HydrophobicContact CG1-CB 4.42Å; V39-V77 HydrophobicContact CG1-CG1 3.69Å; V39-V77 HydrophobicContact CG1-CG2 4.02Å; V39-V80 HydrophobicContact CG1-CG1 4.19Å; V39-V80 HydrophobicContact CG2-CG1 4.25Å; V39-V84 HydrophobicContact CG2-CG1 3.84Å; V39-V84 HydrophobicContact CG2-CG2 4.04Å; V39-V87 HydrophobicContact CG1-CG2 4.12Å; V39-V87 HydrophobicContact CG2-CG2 3.79Å; V39-V155 WeakPolarHBondContact O-CA 3.32Å; V39-L156 PolarHBondContact N-O 3.39Å; V39-L156 PolarHBondContact O-N 2.91Å; V39-E158 HydrophobicContact CG2-CB 4.31Å; V39-L161 HydrophobicContact CB-CD1 3.51Å; V39-L161 HydrophobicContact CG1-CD1 3.64Å; V39-L161 HydrophobicContact CG2-CD1 3.81Å
40R98.7Very high97.6Very high0 Ų027.2 Ų27.20%015%0.153CC..EExtended strand (participates in β ladder)trans-97133.6171.3-170164.663.1-171.3-1.3110S5 E8 I10 V31 P34 E78 S79 T154 V155S5-R40 PolarHBondContact O-NH2 3.09Å; E8-R40 PolarHBondContact O-NH1 2.82Å; E8-R40 PolarHBondContact O-NH2 3.33Å; I10-R40 VanDerWaalsContact CD1-CZ 3.45Å; V31-R40 PolarHBondContact O-NH1 3.08Å; P34-R40 HydrophobicContact CB-CB 4.46Å; P34-R40 HydrophobicContact CG-CB 4.12Å; R40-E78 IonicContact CZ-OE2 3.84Å; R40-E78 VanDerWaalsContact CZ-OE2 3.28Å; R40-E78 IonicContact NE-OE2 3.75Å; R40-E78 PolarHBondContact NE-OE2 2.9Å; R40-E78 IonicContact NH2-OE1 2.84Å; R40-E78 PolarHBondContact NH2-OE1 2.94Å; R40-E78 IonicContact NH2-OE2 3.71Å; R40-E78 PolarHBondContact NH2-OE2 2.74Å; R40-E78 PolarHBondContact O-N 3.38Å; R40-S79 PolarHBondContact N-O 3.43Å; R40-S79 PolarHBondContact O-N 2.96Å; R40-T154 CarbonylContact C-O 3.57Å; R40-T154 WeakPolarHBondContact CA-O 3.33Å; R40-V155 HydrophobicContact CB-CG2 3.98Å; R40-V155 HydrophobicContact CG-CG2 3.85Å
41I98.5Very high97.4Very high0 Ų026.5 Ų26.50%015%0.153CC..EExtended strand (participates in β ladder)trans-128.6135.9-170.5-50.4167.8000108.7V39 I43 V76 V93 P95 Y153 T154 L156 L161V39-I41 HydrophobicContact CG1-CG1 4.02Å; I41-I43 HydrophobicContact CB-CD1 4.3Å; I41-I43 HydrophobicContact CG2-CD1 3.86Å; I41-V76 WeakPolarHBondContact CA-O 3.48Å; I41-V76 WeakPolarHBondContact CG2-O 3.3Å; I41-V93 HydrophobicContact CD1-CG2 3.84Å; I41-V93 HydrophobicContact CG1-CG2 4.13Å; I41-V93 HydrophobicContact CG2-CG2 3.65Å; I41-P95 HydrophobicContact CD1-CG 4.44Å; I41-Y153 VanDerWaalsContact O-CA 3.23Å; I41-Y153 WeakPolarHBondContact O-CA 3.28Å; I41-T154 PolarHBondContact N-O 3.47Å; I41-T154 PolarHBondContact O-N 2.71Å; I41-L156 HydrophobicContact CD1-CD1 3.62Å; I41-L156 HydrophobicContact CG1-CD1 4.43Å; I41-L161 HydrophobicContact CD1-CD1 3.79Å; I41-L161 HydrophobicContact CD1-CD2 3.18Å; I41-L161 HydrophobicContact CD1-CG 4.09Å; I41-L161 HydrophobicContact CG1-CD1 4.41Å; I41-L161 HydrophobicContact CG1-CD2 4.47Å
42K98.6Very high97.3Very high56 Ų5626.5 Ų26.524%0.24315%0.153CC..EExtended strand (participates in β ladder)trans-82.8111.9165-171.9177.3-176178.40109.4Y44 G75 V76 E152 Y153 F379K42-Y44 HydrophobicContact CD-CE2 4.07Å; K42-Y44 HydrophobicContact CG-CE2 4.18Å; K42-G75 CarbonylContact O-C 3.59Å; K42-G75 WeakPolarHBondContact O-CA 3.46Å; K42-V76 PolarHBondContact N-O 3.4Å; K42-V76 PolarHBondContact O-N 3.3Å; K42-E152 CarbonylContact C-O 3.56Å; K42-E152 WeakPolarHBondContact CA-O 3.44Å; K42-Y153 HydrophobicContact CB-CD1 3.98Å; K42-Y153 HydrophobicContact CB-CE1 3.54Å; K42-Y153 HydrophobicContact CD-CE1 4.21Å; K42-Y153 HydrophobicContact CG-CD1 4.4Å; K42-Y153 HydrophobicContact CG-CE1 3.78Å; K42-Y153 HydrophobicContact CG-CE2 4.39Å; K42-F379 HydrophobicContact CD-CE2 4.13Å; K42-F379 HydrophobicContact CD-CZ 4Å; K42-F379 HydrophobicContact CG-CE2 3.68Å; K42-F379 HydrophobicContact CG-CZ 3.63Å
43I98.8Very high97.2Very high0 Ų026.9 Ų26.90%016%0.156CC..EExtended strand (participates in β ladder)trans-88.1122-178-58.3-63.8000109.5I41 S45 P95 T149 S151 E152 T154 L378 F379I41-I43 HydrophobicContact CB-CD1 4.3Å; I41-I43 HydrophobicContact CG2-CD1 3.86Å; I43-S45 WeakPolarHBondContact CG2-O 3.29Å; I43-P95 HydrophobicContact CD1-CG 4.03Å; I43-T149 HydrophobicContact CD1-CG2 4.34Å; I43-S151 WeakPolarHBondContact CB-O 3.33Å; I43-E152 PolarHBondContact N-O 3.32Å; I43-T154 HydrophobicContact CD1-CG2 3.79Å; I43-T154 HydrophobicContact CG1-CG2 3.67Å; I43-L378 HydrophobicContact CB-CG 4.43Å; I43-L378 HydrophobicContact CG2-CD2 3.84Å; I43-L378 HydrophobicContact CG2-CG 4.1Å; I43-L378 VanDerWaalsContact O-CB 3.25Å; I43-L378 WeakPolarHBondContact O-CB 3.23Å; I43-L378 WeakPolarHBondContact O-CG 3.31Å; I43-F379 WeakPolarHBondContact O-CE2 3.48Å
44Y98Very high96.9Very high96 Ų9627.8 Ų27.838%0.37616%0.156SC..EExtended strand (participates in β ladder)trans-89.3-40.1-179.3-83.2-95.7000112.3K42 A74 V76 L170 L378 F379K42-Y44 HydrophobicContact CD-CE2 4.07Å; K42-Y44 HydrophobicContact CG-CE2 4.18Å; Y44-A74 PolarHBondContact N-O 2.61Å; Y44-V76 HydrophobicContact CD2-CG2 4.15Å; Y44-V76 HydrophobicContact CE2-CB 4.18Å; Y44-V76 HydrophobicContact CE2-CG2 3.65Å; Y44-L170 HydrophobicContact CD2-CD1 3.8Å; Y44-L170 HydrophobicContact CE2-CD1 4.34Å; Y44-L170 HydrophobicContact CG-CD1 4.18Å; Y44-L378 PolarHBondContact O-N 2.92Å; Y44-F379 HydrophobicContact CD1-CD2 4.24Å
45S98.2Very high96.8Very high0 Ų027.3 Ų27.30%015%0.153CC..EExtended strand (participates in β ladder)trans-144.5157.9174.983.40000112.2I43 G73 A74 L170 N171 M375 I376I43-S45 WeakPolarHBondContact CG2-O 3.29Å; S45-G73 VanDerWaalsContact O-CA 3.27Å; S45-G73 WeakPolarHBondContact O-CA 3.38Å; S45-A74 PolarHBondContact N-O 3.12Å; S45-A74 PolarHBondContact O-N 2.83Å; S45-L170 PolarHBondContact OG-O 3.35Å; S45-N171 VanDerWaalsContact OG-CA 3.31Å; S45-N171 WeakPolarHBondContact OG-CA 3.31Å; S45-M375 WeakPolarHBondContact OG-CE 3.44Å; S45-I376 CarbonylContact C-O 3.6Å; S45-I376 WeakPolarHBondContact CA-O 3.26Å; S45-I376 WeakPolarHBondContact CB-O 3.41Å
46S98.6Very high96.9Very high0 Ų025.6 Ų25.60%014%0.14CC..EExtended strand (participates in β ladder)trans-143.1136.4171.4-173.90000111.3E72 T149 F150 I376S46-E72 CarbonylContact C-O 3.57Å; S46-E72 VanDerWaalsContact CA-O 3.31Å; S46-E72 WeakPolarHBondContact CA-O 3.39Å; S46-T149 PolarHBondContact OG-OG1 2.73Å; S46-F150 WeakPolarHBondContact OG-CE1 3.49Å; S46-I376 PolarHBondContact N-O 3.2Å; S46-I376 WeakPolarHBondContact O-CB 3.44Å; S46-I376 PolarHBondContact O-N 2.92Å
47G97.8Very high96.8Very high0 Ų022.6 Ų22.60%012%0.122CC..EExtended strand (participates in β ladder)trans-71.7152.7165.800000111.8E72 F150 P374G47-E72 PolarHBondContact N-O 2.93Å; G47-F150 WeakPolarHBondContact O-CE1 3.46Å; G47-P374 WeakPolarHBondContact CA-O 3.46Å
48V96.8Very high96.7Very high0 Ų023.4 Ų23.40%013%0.129CC..  trans-103.5130.6165.7-179.40000109.1F150 I359 A362 F363 M366 P374 I376V48-F150 HydrophobicContact CB-CZ 4.41Å; V48-F150 HydrophobicContact CG2-CE1 4.09Å; V48-F150 HydrophobicContact CG2-CZ 3.86Å; V48-I359 HydrophobicContact CG2-CG1 4.44Å; V48-A362 HydrophobicContact CG2-CB 4.12Å; V48-F363 HydrophobicContact CG1-CD1 4.1Å; V48-F363 HydrophobicContact CG1-CD2 4.11Å; V48-F363 HydrophobicContact CG1-CE1 3.85Å; V48-F363 HydrophobicContact CG1-CE2 3.85Å; V48-F363 HydrophobicContact CG1-CG 4.23Å; V48-F363 HydrophobicContact CG1-CZ 3.73Å; V48-F363 HydrophobicContact CG2-CE2 4.43Å; V48-M366 HydrophobicContact CG1-CE 4.06Å; V48-M366 HydrophobicContact CG1-SD 4.27Å; V48-P374 HydrophobicContact CB-CG 4.05Å; V48-P374 PolarHBondContact N-O 2.77Å; V48-P374 WeakPolarHBondContact O-CD 3.28Å; V48-I376 HydrophobicContact CG2-CD1 3.79Å; V48-I376 HydrophobicContact CG2-CG1 3.59Å
49C94.8Very high96.3Very high7 Ų728.3 Ų28.35%0.04715%0.152CC..  trans-127.1162.1-178.8-179.40000111.6T51 D52 A53 E72 M366 R373C49-T51 PolarHBondContact O-N 3.27Å; C49-D52 PolarHBondContact N-OD2 3.42Å; C49-D52 PolarHBondContact O-N 3.2Å; C49-A53 PolarHBondContact O-N 2.76Å; C49-E72 HydrophobicContact CB-CG 4.48Å; C49-E72 VanDerWaalsContact CB-OE1 3.29Å; C49-E72 WeakPolarHBondContact CB-OE1 3.44Å; C49-M366 VanDerWaalsContact C-SD 3.51Å; C49-M366 WeakPolarHBondContact O-CE 3.37Å; C49-R373 PolarHBondContact SG-NH2 2.92Å
50H92.8Very high95.9Very high117 Ų11730 Ų3054%0.54216%0.161SC..Hα-helixtrans-57.8-28.6176.7-80.560.5000112.4D52 A53 Y54 M366H50-D52 VanDerWaalsContact C-N 3.34Å; H50-D52 PolarHBondContact O-N 2.83Å; H50-A53 PolarHBondContact O-N 3.48Å; H50-Y54 WeakPolarHBondContact O-CB 3.49Å; H50-Y54 PolarHBondContact O-N 2.76Å; H50-M366 VanDerWaalsContact CE1-CG 3.48Å; H50-M366 WeakPolarHBondContact CE1-CG 3.38Å; H50-M366 PolarHBondContact ND1-SD 3.22Å; H50-M366 VanDerWaalsContact ND1-SD 3.39Å
51T94.1Very high95.4Very high46 Ų4634.9 Ų34.928%0.28219%0.193SC..Hα-helixtrans-60.3-42.3174.2-54.10000111.8C49 A53 Y54 T55 F144 M145C49-T51 PolarHBondContact O-N 3.27Å; T51-A53 VanDerWaalsContact C-N 3.34Å; T51-A53 PolarHBondContact O-N 3.07Å; T51-Y54 PolarHBondContact O-N 3.42Å; T51-T55 PolarHBondContact O-N 3.02Å; T51-T55 PolarHBondContact O-OG1 2.99Å; T51-F144 HydrophobicContact CG2-CZ 4.23Å; T51-M145 HydrophobicContact CG2-CE 4.19Å; T51-M145 HydrophobicContact CG2-SD 3.74Å
52D96.4Very high95.1Very high0 Ų039.7 Ų39.70%022%0.215CC..Hα-helixtrans-66.3-39.4176-49.6-72.2000110.7C49 H50 L56 L69 G70 H71 F144 F150 F363C49-D52 PolarHBondContact N-OD2 3.42Å; C49-D52 PolarHBondContact O-N 3.2Å; H50-D52 VanDerWaalsContact C-N 3.34Å; H50-D52 PolarHBondContact O-N 2.83Å; D52-L56 VanDerWaalsContact O-CB 3.27Å; D52-L56 WeakPolarHBondContact O-CB 3.34Å; D52-L56 PolarHBondContact O-N 3.16Å; D52-L69 HydrophobicContact CB-CB 4.49Å; D52-G70 WeakPolarHBondContact OD1-CA 3.38Å; D52-G70 PolarHBondContact OD1-N 2.95Å; D52-H71 IonicContact OD1-CE1 2.74Å; D52-H71 IonicContact OD1-ND1 3.46Å; D52-H71 PolarHBondContact OD1-ND1 3.34Å; D52-H71 IonicContact OD2-CE1 3.02Å; D52-H71 PolarHBondContact OD2-CE1 2.8Å; D52-H71 VanDerWaalsContact OD2-CE1 3.32Å; D52-H71 IonicContact OD2-ND1 2.86Å; D52-H71 PolarHBondContact OD2-ND1 3.33Å; D52-F144 VanDerWaalsContact OD1-CE1 3.22Å; D52-F144 WeakPolarHBondContact OD1-CE1 3.25Å; D52-F150 HydrophobicContact CB-CE2 4.17Å; D52-F150 HydrophobicContact CB-CZ 4.28Å; D52-F363 HydrophobicContact CB-CE1 4.1Å; D52-F363 HydrophobicContact CB-CZ 3.94Å
53A94.9Very high94.8Very high33 Ų3338.4 Ų38.427%0.27322%0.218SC..Hα-helixtrans-68.8-34.6178.900000112.9C49 H50 T51 L56 G57 F363 M366C49-A53 PolarHBondContact O-N 2.76Å; H50-A53 PolarHBondContact O-N 3.48Å; T51-A53 VanDerWaalsContact C-N 3.34Å; T51-A53 PolarHBondContact O-N 3.07Å; A53-L56 PolarHBondContact O-N 3.15Å; A53-G57 PolarHBondContact O-N 2.91Å; A53-F363 HydrophobicContact CB-CD1 3.91Å; A53-F363 HydrophobicContact CB-CE1 3.87Å; A53-M366 HydrophobicContact CB-CE 3.51Å
54Y93.3Very high94.8Very high52 Ų5240.4 Ų40.420%0.20423%0.231CC..Hα-helixtrans-62.7-48.6177.2-177.4-108.9000111.2H50 T51 G57 H59 D60 E300 A301H50-Y54 WeakPolarHBondContact O-CB 3.49Å; H50-Y54 PolarHBondContact O-N 2.76Å; T51-Y54 PolarHBondContact O-N 3.42Å; Y54-G57 PolarHBondContact O-N 3.43Å; Y54-H59 HydrophobicContact CD2-CB 3.62Å; Y54-H59 HydrophobicContact CE1-CB 4.36Å; Y54-H59 HydrophobicContact CE2-CB 3.2Å; Y54-H59 HydrophobicContact CG-CB 4.32Å; Y54-H59 PolarHBondContact O-N 2.9Å; Y54-H59 PolarHBondContact OH-O 2.78Å; Y54-D60 HydrophobicContact CD1-CB 3.83Å; Y54-D60 VanDerWaalsContact CE1-CA 3.49Å; Y54-D60 HydrophobicContact CE1-CB 3.83Å; Y54-E300 HydrophobicContact CE2-CG 4.21Å; Y54-E300 WeakPolarHBondContact OH-CA 3.46Å; Y54-A301 PolarHBondContact OH-N 2.83Å
55T95.9Very high94.8Very high3 Ų338.2 Ų38.22%0.01822%0.223CC..Hα-helixtrans-65.5-46.2173.7-530000110.9T51 G57 G58 D60 F65 L69 F144T51-T55 PolarHBondContact O-N 3.02Å; T51-T55 PolarHBondContact O-OG1 2.99Å; T55-G57 PolarHBondContact O-N 3.46Å; T55-G58 PolarHBondContact O-N 3.02Å; T55-D60 HydrophobicContact CG2-CB 4.15Å; T55-D60 PolarHBondContact OG1-OD2 3.35Å; T55-F65 WeakPolarHBondContact O-CZ 3.14Å; T55-L69 HydrophobicContact CG2-CD2 3.97Å; T55-F144 HydrophobicContact CG2-CD2 4.3Å; T55-F144 HydrophobicContact CG2-CE2 3.85Å; T55-F144 VanDerWaalsContact OG1-CE2 3.29Å; T55-F144 WeakPolarHBondContact OG1-CE2 3.3Å
56L97.2Very high94.8Very high16 Ų1639.4 Ų39.48%0.08423%0.231CC..Hα-helixtrans-57.2-37.4177.8-175.957.9000112.4A17 P20 S21 L24 D52 A53 G58 L69 F363A17-L56 HydrophobicContact CB-CD1 3.79Å; P20-L56 CarbonylContact C-O 3.56Å; P20-L56 WeakPolarHBondContact CA-O 3.08Å; S21-L56 PolarHBondContact N-O 3.28Å; L24-L56 HydrophobicContact CD2-CD1 3.77Å; L24-L56 HydrophobicContact CD2-CD2 4.21Å; L24-L56 HydrophobicContact CG-CD2 4.2Å; D52-L56 VanDerWaalsContact O-CB 3.27Å; D52-L56 WeakPolarHBondContact O-CB 3.34Å; D52-L56 PolarHBondContact O-N 3.16Å; A53-L56 PolarHBondContact O-N 3.15Å; L56-G58 PolarHBondContact O-N 3.08Å; L56-L69 HydrophobicContact CB-CD1 3.79Å; L56-L69 HydrophobicContact CD1-CD1 4.19Å; L56-L69 HydrophobicContact CG-CD1 4.41Å; L56-F363 HydrophobicContact CD2-CD1 4Å; L56-F363 HydrophobicContact CD2-CE1 3.88Å; L56-F363 HydrophobicContact CD2-CG 4.36Å; L56-F363 HydrophobicContact CD2-CZ 4.15Å
57G95.5Very high94.8Very high19 Ų1939.5 Ų39.520%0.19623%0.231CC..Hα-helixtrans-67.4-16.3176.800000114.1S21 A53 Y54 T55S21-G57 PolarHBondContact OG-O 2.93Å; A53-G57 PolarHBondContact O-N 2.91Å; Y54-G57 PolarHBondContact O-N 3.43Å; T55-G57 PolarHBondContact O-N 3.46Å
58G93.5Very high94.8Very high42 Ų4239.5 Ų39.543%0.43323%0.231SC..THydrogen-bonded Turntrans83.518.1-175.900000113.8T55 L56T55-G58 PolarHBondContact O-N 3.02Å; L56-G58 PolarHBondContact O-N 3.08Å
59H90.4Very high94.9Very high108 Ų10839.5 Ų39.550%0.523%0.231SC..  trans-88.2-19.6178.7-59.6-71.1000112.8Y54 P61Y54-H59 HydrophobicContact CD2-CB 3.62Å; Y54-H59 HydrophobicContact CE1-CB 4.36Å; Y54-H59 HydrophobicContact CE2-CB 3.2Å; Y54-H59 HydrophobicContact CG-CB 4.32Å; Y54-H59 PolarHBondContact O-N 2.9Å; Y54-H59 PolarHBondContact OH-O 2.78Å; H59-P61 WeakPolarHBondContact O-CD 3.46Å
60D90.5Very high95.1Very high35 Ų3539.2 Ų39.219%0.18723%0.229CC..  trans-74.2117.5178.3-176.62.7000111.9Y54 T55 E62 G63Y54-D60 HydrophobicContact CD1-CB 3.83Å; Y54-D60 VanDerWaalsContact CE1-CA 3.49Å; Y54-D60 HydrophobicContact CE1-CB 3.83Å; T55-D60 HydrophobicContact CG2-CB 4.15Å; T55-D60 PolarHBondContact OG1-OD2 3.35Å; D60-E62 PolarHBondContact O-N 2.91Å; D60-E62 PolarHBondContact OD1-N 3.07Å; D60-G63 WeakPolarHBondContact O-CA 3.37Å; D60-G63 PolarHBondContact O-N 3.45Å
61P88.8Confident95.4Very high102 Ų10233.6 Ų33.666%0.66220%0.203SC*.THydrogen-bonded Turntrans-63.3-23.2176.5-22.735.2000114.2H59 G63 A301H59-P61 WeakPolarHBondContact O-CD 3.46Å; P61-G63 VanDerWaalsContact C-N 3.32Å; P61-A301 HydrophobicContact CG-CB 3.22Å
62E91.7Very high95.6Very high101 Ų10131.4 Ų31.447%0.47219%0.19SC..THydrogen-bonded Turntrans-90-2.2174.6-62.4-171.7176.200112.3D60 V64 R119D60-E62 PolarHBondContact O-N 2.91Å; D60-E62 PolarHBondContact OD1-N 3.07Å; E62-V64 PolarHBondContact O-N 3.49Å; E62-R119 IonicContact OE1-CZ 2.79Å; E62-R119 IonicContact OE1-NH2 3.32Å; E62-R119 PolarHBondContact OE1-NH2 2.72Å; E62-R119 IonicContact OE2-CZ 3.24Å; E62-R119 IonicContact OE2-NH2 3.68Å; E62-R119 PolarHBondContact OE2-NH2 3.02Å
63G93.5Very high95.7Very high30 Ų3031.4 Ų31.431%0.30919%0.19SC..  trans-59.6119.9-179.300000111.8D60 P61D60-G63 WeakPolarHBondContact O-CA 3.37Å; D60-G63 PolarHBondContact O-N 3.45Å; P61-G63 VanDerWaalsContact C-N 3.32Å
64V96.9Very high95.9Very high42 Ų4229.9 Ų29.926%0.25518%0.177SC..  trans-120.8137.317662.50000109.3E62 V67 H142E62-V64 PolarHBondContact O-N 3.49Å; V64-V67 VanDerWaalsContact O-CB 3.23Å; V64-V67 WeakPolarHBondContact O-CB 3.42Å; V64-V67 VanDerWaalsContact O-CG1 3.26Å; V64-V67 WeakPolarHBondContact O-CG1 3.46Å; V64-H142 HydrophobicContact CG1-CB 3.68Å
65F98.2Very high96.1Very high49 Ų4927.4 Ų27.422%0.21517%0.167CC..SBendtrans-129.1146.2-178.7-67.1-98.2000110.1A17 P20 T55 V67A17-F65 HydrophobicContact CB-CD1 3.99Å; A17-F65 HydrophobicContact CB-CE1 3.77Å; A17-F65 WeakPolarHBondContact O-CD1 3.4Å; P20-F65 HydrophobicContact CB-CE2 3.97Å; P20-F65 HydrophobicContact CB-CZ 3.91Å; P20-F65 HydrophobicContact CG-CE2 4.49Å; T55-F65 WeakPolarHBondContact O-CZ 3.14Å; F65-V67 HydrophobicContact CD1-CG1 4Å; F65-V67 HydrophobicContact CE1-CG1 4.18Å; F65-V67 HydrophobicContact CG-CG1 4.49Å
66P98.6Very high96.2Very high26 Ų2628.4 Ų28.417%0.16917%0.173CC..SBendcis-75.4150-0.132.1-35.9000112.7V16 A17 W18 Q140 V141 H142V16-P66 HydrophobicContact CG1-CB 4.23Å; A17-P66 CarbonylContact O-C 3.55Å; A17-P66 WeakPolarHBondContact O-CA 3.5Å; W18-P66 HydrophobicContact CD2-CB 4.28Å; W18-P66 HydrophobicContact CE3-CB 3.55Å; W18-P66 HydrophobicContact CE3-CG 4.03Å; W18-P66 HydrophobicContact CZ3-CB 3.89Å; W18-P66 HydrophobicContact CZ3-CG 3.93Å; P66-Q140 WeakPolarHBondContact CG-O 3.36Å; P66-V141 HydrophobicContact CB-CG1 4.47Å; P66-V141 HydrophobicContact CG-CG2 4.32Å; P66-H142 WeakPolarHBondContact O-CB 3.48Å; P66-H142 PolarHBondContact O-CD2 2.9Å; P66-H142 PolarHBondContact O-N 3.26Å
67V98.7Very high96.3Very high2 Ų227.8 Ų27.81%0.01217%0.17CC..EExtended strand (participates in β ladder)trans-145.2149-174.360.70000112.4A17 V64 F65 L69 H142 F144A17-V67 HydrophobicContact CB-CG1 3.92Å; A17-V67 PolarHBondContact N-O 3.37Å; A17-V67 PolarHBondContact O-N 2.94Å; V64-V67 VanDerWaalsContact O-CB 3.23Å; V64-V67 WeakPolarHBondContact O-CB 3.42Å; V64-V67 VanDerWaalsContact O-CG1 3.26Å; V64-V67 WeakPolarHBondContact O-CG1 3.46Å; F65-V67 HydrophobicContact CD1-CG1 4Å; F65-V67 HydrophobicContact CE1-CG1 4.18Å; F65-V67 HydrophobicContact CG-CG1 4.49Å; V67-L69 HydrophobicContact CG1-CD2 3.9Å; V67-L69 HydrophobicContact CG1-CG 4.27Å; V67-L69 HydrophobicContact CG2-CD2 4.33Å; V67-H142 WeakPolarHBondContact CA-O 3.32Å; V67-H142 HydrophobicContact CB-CB 4.3Å; V67-H142 HydrophobicContact CG2-CB 4.35Å; V67-H142 WeakPolarHBondContact CG2-O 3.35Å; V67-F144 HydrophobicContact CG2-CB 3.78Å
68I98.9Very high96.4Very high0 Ų028.4 Ų28.40%017%0.168CC..EExtended strand (participates in β ladder)trans-97.2111.5163.8-64.9169.2000107.6A14 V16 V29 F134 V141 H142 F144 S148 F150A14-I68 HydrophobicContact CB-CD1 3.73Å; A14-I68 HydrophobicContact CB-CG1 4.21Å; V16-I68 HydrophobicContact CG2-CG1 4.2Å; V29-I68 HydrophobicContact CG1-CD1 4.45Å; V29-I68 HydrophobicContact CG2-CD1 4.41Å; I68-F134 HydrophobicContact CD1-CB 4.23Å; I68-F134 HydrophobicContact CD1-CD1 3.77Å; I68-F134 HydrophobicContact CD1-CD2 3.93Å; I68-F134 HydrophobicContact CD1-CE1 4.01Å; I68-F134 HydrophobicContact CD1-CE2 4.15Å; I68-F134 HydrophobicContact CD1-CG 3.72Å; I68-F134 HydrophobicContact CD1-CZ 4.19Å; I68-V141 HydrophobicContact CD1-CG1 4.37Å; I68-V141 HydrophobicContact CG1-CG1 3.91Å; I68-H142 PolarHBondContact N-O 3.37Å; I68-F144 WeakPolarHBondContact O-CB 3.12Å; I68-S148 WeakPolarHBondContact O-CA 3.43Å; I68-S148 WeakPolarHBondContact O-CB 3.23Å; I68-S148 PolarHBondContact O-OG 3.31Å; I68-F150 HydrophobicContact CG2-CB 4.26Å
69L98.7Very high96.7Very high0 Ų026.4 Ų26.40%015%0.148CC..  trans-75.5-169.2178.3-60.6173.3000111.7A17 L24 D52 T55 L56 V67 F144 S148 T149 F150A17-L69 HydrophobicContact CB-CD1 4.31Å; A17-L69 HydrophobicContact CB-CG 4.46Å; L24-L69 HydrophobicContact CD2-CD1 4.28Å; D52-L69 HydrophobicContact CB-CB 4.49Å; T55-L69 HydrophobicContact CG2-CD2 3.97Å; L56-L69 HydrophobicContact CB-CD1 3.79Å; L56-L69 HydrophobicContact CD1-CD1 4.19Å; L56-L69 HydrophobicContact CG-CD1 4.41Å; V67-L69 HydrophobicContact CG1-CD2 3.9Å; V67-L69 HydrophobicContact CG1-CG 4.27Å; V67-L69 HydrophobicContact CG2-CD2 4.33Å; L69-F144 HydrophobicContact CB-CD1 4.27Å; L69-F144 HydrophobicContact CD2-CB 4.23Å; L69-F144 HydrophobicContact CD2-CD1 4.07Å; L69-F144 HydrophobicContact CD2-CD2 3.67Å; L69-F144 HydrophobicContact CD2-CE1 4.32Å; L69-F144 HydrophobicContact CD2-CE2 3.97Å; L69-F144 HydrophobicContact CD2-CG 3.71Å; L69-F144 HydrophobicContact CD2-CZ 4.26Å; L69-S148 CarbonylContact O-C 3.53Å; L69-S148 WeakPolarHBondContact O-CA 3.35Å; L69-T149 PolarHBondContact O-N 3.01Å; L69-F150 VanDerWaalsContact C-CD2 3.47Å; L69-F150 HydrophobicContact CB-CD2 3.63Å; L69-F150 HydrophobicContact CB-CE2 3.71Å; L69-F150 WeakPolarHBondContact O-CB 3.49Å; L69-F150 PolarHBondContact O-N 2.8Å
70G98.5Very high97Very high0 Ų023.3 Ų23.30%014%0.136CC..  trans93.8131.417800000112.4D52 S148 T149D52-G70 WeakPolarHBondContact OD1-CA 3.38Å; D52-G70 PolarHBondContact OD1-N 2.95Å; G70-S148 WeakPolarHBondContact O-CA 3.49Å; G70-S148 PolarHBondContact O-N 3.29Å; G70-S148 VanDerWaalsContact O-N 3.07Å; G70-T149 VanDerWaalsContact CA-OG1 3.32Å; G70-T149 WeakPolarHBondContact CA-OG1 3.41Å; G70-T149 PolarHBondContact O-N 3.1Å; G70-T149 PolarHBondContact O-OG1 2.79Å
71H98.5Very high97.4Very high0 Ų022.1 Ų22.10%013%0.132CC..  trans-143.60.3178.363.6-74000114.2D52 F144 M145 C147 T149 C178D52-H71 IonicContact OD1-CE1 2.74Å; D52-H71 IonicContact OD1-ND1 3.46Å; D52-H71 PolarHBondContact OD1-ND1 3.34Å; D52-H71 IonicContact OD2-CE1 3.02Å; D52-H71 PolarHBondContact OD2-CE1 2.8Å; D52-H71 VanDerWaalsContact OD2-CE1 3.32Å; D52-H71 IonicContact OD2-ND1 2.86Å; D52-H71 PolarHBondContact OD2-ND1 3.33Å; H71-F144 AromaticContact ND1-CE1 3.85Å; H71-M145 HydrophobicContact CB-CB 4.35Å; H71-M145 HydrophobicContact CB-SD 3.92Å; H71-C147 HydrophobicContact CB-CB 4.06Å; H71-T149 PolarHBondContact N-OG1 3.28Å; H71-T149 VanDerWaalsContact N-OG1 3.08Å; H71-C178 PolarHBondContact NE2-SG 3.21Å
72E98.4Very high97.7Very high0 Ų024.7 Ų24.70%014%0.135CC..EExtended strand (participates in β ladder)trans-107.450.4-179.8-56.1-162.3175.100111.5S46 G47 C49 G174 L175 C178 R373S46-E72 CarbonylContact C-O 3.57Å; S46-E72 VanDerWaalsContact CA-O 3.31Å; S46-E72 WeakPolarHBondContact CA-O 3.39Å; G47-E72 PolarHBondContact N-O 2.93Å; C49-E72 HydrophobicContact CB-CG 4.48Å; C49-E72 VanDerWaalsContact CB-OE1 3.29Å; C49-E72 WeakPolarHBondContact CB-OE1 3.44Å; E72-G174 CarbonylContact C-O 3.56Å; E72-G174 CarbonylContact O-C 3.4Å; E72-L175 WeakPolarHBondContact OE2-CD2 3.43Å; E72-C178 HydrophobicContact CG-CB 3.58Å; E72-C178 VanDerWaalsContact OE1-CB 3.3Å; E72-C178 WeakPolarHBondContact OE1-CB 3.33Å; E72-R373 IonicContact OE1-CZ 3.26Å; E72-R373 IonicContact OE1-NE 2.71Å; E72-R373 IonicContact OE1-NH2 3.71Å; E72-R373 IonicContact OE2-NE 3.65Å; E72-R373 PolarHBondContact OE2-NE 2.86Å
73G98.3Very high98Very high0 Ų023 Ų230%014%0.144CC..EExtended strand (participates in β ladder)trans-97.7161.1-173.400000115.5S45 P95 G174S45-G73 VanDerWaalsContact O-CA 3.27Å; S45-G73 WeakPolarHBondContact O-CA 3.38Å; G73-P95 WeakPolarHBondContact O-CD 3.32Å; G73-G174 VanDerWaalsContact O-CA 3.27Å; G73-G174 WeakPolarHBondContact O-CA 3.38Å
74A98.7Very high98.2Very high0 Ų022.5 Ų22.50%014%0.136CC..EExtended strand (participates in β ladder)trans-140.5143.3163.300000110.7Y44 S45 I94 L170 V173Y44-A74 PolarHBondContact N-O 2.61Å; S45-A74 PolarHBondContact N-O 3.12Å; S45-A74 PolarHBondContact O-N 2.83Å; A74-I94 HydrophobicContact CB-CG1 4.23Å; A74-L170 HydrophobicContact CB-CB 4.35Å; A74-L170 HydrophobicContact CB-CD2 3.98Å; A74-V173 HydrophobicContact CB-CG2 3.96Å
75G98.5Very high98.2Very high0 Ų025.6 Ų25.60%016%0.159CC..EExtended strand (participates in β ladder)trans-159.3-172.6-170.100000114.5K42 H92 V93K42-G75 CarbonylContact O-C 3.59Å; K42-G75 WeakPolarHBondContact O-CA 3.46Å; G75-H92 WeakPolarHBondContact O-CA 3.35Å; G75-V93 PolarHBondContact N-O 3.3Å; G75-V93 PolarHBondContact O-N 3.45Å
76V98.6Very high98.2Very high24 Ų2425.1 Ų25.115%0.14516%0.162CC..EExtended strand (participates in β ladder)trans-122.4133.8178.3-177.20000108.9I41 K42 Y44 E78 D91 L170I41-V76 WeakPolarHBondContact CA-O 3.48Å; I41-V76 WeakPolarHBondContact CG2-O 3.3Å; K42-V76 PolarHBondContact N-O 3.4Å; K42-V76 PolarHBondContact O-N 3.3Å; Y44-V76 HydrophobicContact CD2-CG2 4.15Å; Y44-V76 HydrophobicContact CE2-CB 4.18Å; Y44-V76 HydrophobicContact CE2-CG2 3.65Å; V76-E78 PolarHBondContact O-N 2.95Å; V76-D91 CarbonylContact C-O 3.55Å; V76-D91 WeakPolarHBondContact CA-O 3.33Å; V76-L170 HydrophobicContact CG2-CD1 3.64Å
77V98.7Very high98.2Very high3 Ų324.1 Ų24.12%0.01816%0.155CC..EExtended strand (participates in β ladder)trans-60.9123175.5178.50000109.3V39 V80 V87 V88 P89 G90 D91 V93V39-V77 HydrophobicContact CG1-CB 4.42Å; V39-V77 HydrophobicContact CG1-CG1 3.69Å; V39-V77 HydrophobicContact CG1-CG2 4.02Å; V77-V80 HydrophobicContact CG1-CG1 3.77Å; V77-V87 HydrophobicContact CG2-CB 4.17Å; V77-V87 HydrophobicContact CG2-CG2 4.24Å; V77-V88 WeakPolarHBondContact CB-O 3.44Å; V77-P89 WeakPolarHBondContact O-CA 3.44Å; V77-G90 PolarHBondContact O-N 3.01Å; V77-D91 HydrophobicContact CG2-CB 4.16Å; V77-D91 PolarHBondContact N-O 2.91Å; V77-V93 HydrophobicContact CG2-CB 4.49Å; V77-V93 HydrophobicContact CG2-CG1 3.66Å; V77-V93 HydrophobicContact CG2-CG2 3.94Å
78E98.4Very high98.1Very high33 Ų3327.9 Ų27.915%0.15418%0.178CC..EExtended strand (participates in β ladder)trans-92.1-50.4176.1-178.1-85.3159.400110.5S5 I10 R40 V76 Y153S5-E78 WeakPolarHBondContact CB-OE1 3.46Å; S5-E78 PolarHBondContact OG-OE1 3.29Å; I10-E78 HydrophobicContact CD1-CG 4.46Å; R40-E78 IonicContact CZ-OE2 3.84Å; R40-E78 VanDerWaalsContact CZ-OE2 3.28Å; R40-E78 IonicContact NE-OE2 3.75Å; R40-E78 PolarHBondContact NE-OE2 2.9Å; R40-E78 IonicContact NH2-OE1 2.84Å; R40-E78 PolarHBondContact NH2-OE1 2.94Å; R40-E78 IonicContact NH2-OE2 3.71Å; R40-E78 PolarHBondContact NH2-OE2 2.74Å; R40-E78 PolarHBondContact O-N 3.38Å; V76-E78 PolarHBondContact O-N 2.95Å; E78-Y153 HydrophobicContact CB-CD1 4.47Å; E78-Y153 HydrophobicContact CB-CE1 4.17Å; E78-Y153 HydrophobicContact CG-CE1 4Å
79S98.4Very high98.1Very high0 Ų029.9 Ų29.90%019%0.191CC..EExtended strand (participates in β ladder)trans-148.4161.1177.855.30000111.5P34 R40P34-S79 WeakPolarHBondContact CD-OG 3.43Å; R40-S79 PolarHBondContact N-O 3.43Å; R40-S79 PolarHBondContact O-N 2.96Å
80V98.3Very high98.1Very high42 Ų4231.4 Ų31.426%0.25521%0.206SC..EExtended strand (participates in β ladder)trans-128.5142.5178.9-59.90000109V39 V77 V84 V87V39-V80 HydrophobicContact CG1-CG1 4.19Å; V39-V80 HydrophobicContact CG2-CG1 4.25Å; V77-V80 HydrophobicContact CG1-CG1 3.77Å; V80-V84 HydrophobicContact CB-CB 3.93Å; V80-V84 HydrophobicContact CB-CG1 3.88Å; V80-V84 HydrophobicContact CB-CG2 4.38Å; V80-V84 HydrophobicContact CG1-CB 4.5Å; V80-V84 HydrophobicContact CG1-CG1 3.88Å; V80-V84 HydrophobicContact CG2-CB 4.5Å; V80-V87 HydrophobicContact CG1-CG2 4.28Å
81G97.3Very high98.1Very high10 Ų1031.6 Ų31.610%0.10321%0.207CC..  trans-84.8176.5173.800000112.6S35 E38 G83 V84S35-G81 WeakPolarHBondContact O-CA 3.47Å; E38-G81 PolarHBondContact O-N 3.14Å; G81-G83 PolarHBondContact O-N 3.04Å; G81-V84 WeakPolarHBondContact O-CG2 3.32Å; G81-V84 PolarHBondContact O-N 2.79Å
82E96.8Very high98.1Very high157 Ų15733.4 Ų33.473%0.73422%0.216SC*.THydrogen-bonded Turntrans-56.7132.9-177.2-174.2-177173.800112.3S36 G37 V84S36-E82 CarbonylContact C-O 3.57Å; S36-E82 WeakPolarHBondContact CA-O 3.28Å; S36-E82 PolarHBondContact OG-O 3.07Å; G37-E82 PolarHBondContact N-O 2.84Å; E82-V84 VanDerWaalsContact C-N 3.33Å; E82-V84 PolarHBondContact O-N 2.8Å
83G96.7Very high98.1Very high64 Ų6433.4 Ų33.466%0.6622%0.216SC*.THydrogen-bonded Turntrans87.3-8.7174.800000115.4G81G81-G83 PolarHBondContact O-N 3.04Å
84V98.1Very high98.1Very high21 Ų2133.4 Ų33.413%0.12722%0.216CC..  trans-67133.3171.41750000109.9E38 V39 V80 G81 E82 V87 E158E38-V84 WeakPolarHBondContact O-CG2 3.39Å; V39-V84 HydrophobicContact CG2-CG1 3.84Å; V39-V84 HydrophobicContact CG2-CG2 4.04Å; V80-V84 HydrophobicContact CB-CB 3.93Å; V80-V84 HydrophobicContact CB-CG1 3.88Å; V80-V84 HydrophobicContact CB-CG2 4.38Å; V80-V84 HydrophobicContact CG1-CB 4.5Å; V80-V84 HydrophobicContact CG1-CG1 3.88Å; V80-V84 HydrophobicContact CG2-CB 4.5Å; G81-V84 WeakPolarHBondContact O-CG2 3.32Å; G81-V84 PolarHBondContact O-N 2.79Å; E82-V84 VanDerWaalsContact C-N 3.33Å; E82-V84 PolarHBondContact O-N 2.8Å; V84-V87 HydrophobicContact CG1-CG2 3.94Å; V84-E158 HydrophobicContact CG1-CB 4.48Å; V84-E158 HydrophobicContact CG1-CG 4.07Å; V84-E158 HydrophobicContact CG2-CB 4.17Å
85S97.2Very high98.1Very high106 Ų10633.4 Ų33.474%0.74122%0.216SC*.  trans-137.7-15.2-176.156.70000114.4E158S85-E158 PolarHBondContact N-OE1 3.01Å
86S97.8Very high98.1Very high40 Ų4033.5 Ų33.528%0.2822%0.216SC..SBendtrans-89.1-13.2-174.863.70000114.8E158 R329S86-E158 VanDerWaalsContact CB-OE1 3.23Å; S86-E158 WeakPolarHBondContact CB-OE1 3.5Å; S86-E158 PolarHBondContact N-OE1 3.28Å; S86-E158 WeakPolarHBondContact OG-CG 3.35Å; S86-E158 PolarHBondContact OG-OE1 3.15Å; S86-R329 PolarHBondContact OG-NH2 2.67Å
87V98.4Very high98.1Very high4 Ų434 Ų342%0.02422%0.216CC..  trans-141.9154.6174.9-65.60000110.4V39 V77 V80 V84 V93 K163V39-V87 HydrophobicContact CG1-CG2 4.12Å; V39-V87 HydrophobicContact CG2-CG2 3.79Å; V77-V87 HydrophobicContact CG2-CB 4.17Å; V77-V87 HydrophobicContact CG2-CG2 4.24Å; V80-V87 HydrophobicContact CG1-CG2 4.28Å; V84-V87 HydrophobicContact CG1-CG2 3.94Å; V87-V93 HydrophobicContact CG1-CG1 4.05Å; V87-K163 HydrophobicContact CG1-CB 4.08Å
88V98Very high98.1Very high81 Ų8134.6 Ų34.649%0.49122%0.219SC..  trans-131.2161175.5-62.90000110.8V77 G90 D91V77-V88 WeakPolarHBondContact CB-O 3.44Å; V88-G90 PolarHBondContact O-N 3.48Å; V88-D91 PolarHBondContact N-OD2 3.31Å; V88-D91 WeakPolarHBondContact O-CB 3.31Å; V88-D91 PolarHBondContact O-N 3.13Å
89P98Very high98Very high42 Ų4233.2 Ų33.227%0.27321%0.213SC..THydrogen-bonded Turntrans-48.1131.2172.5-30.437.8000113.1Y2 V77Y2-P89 HydrophobicContact CE1-CB 4.13Å; V77-P89 WeakPolarHBondContact O-CA 3.44Å
90G98Very high98.1Very high32 Ų3233.3 Ų33.333%0.3321%0.213SC..THydrogen-bonded Turntrans88.7-1.8-176.300000115.5V77 V88 K166V77-G90 PolarHBondContact O-N 3.01Å; V88-G90 PolarHBondContact O-N 3.48Å; G90-K166 WeakPolarHBondContact O-CE 3.33Å
91D98.7Very high98Very high4 Ų431.9 Ų31.92%0.02121%0.205CC..  trans-72.5140.2168.6-78.3-23.8000111.3V76 V77 V88 K163 K166V76-D91 CarbonylContact C-O 3.55Å; V76-D91 WeakPolarHBondContact CA-O 3.33Å; V77-D91 HydrophobicContact CG2-CB 4.16Å; V77-D91 PolarHBondContact N-O 2.91Å; V88-D91 PolarHBondContact N-OD2 3.31Å; V88-D91 WeakPolarHBondContact O-CB 3.31Å; V88-D91 PolarHBondContact O-N 3.13Å; D91-K163 HydrophobicContact CB-CD 4.45Å; D91-K163 HydrophobicContact CB-CG 4.47Å; D91-K163 VanDerWaalsContact CG-CE 3.4Å; D91-K163 VanDerWaalsContact OD1-CE 3.3Å; D91-K163 WeakPolarHBondContact OD1-CE 3.27Å; D91-K163 IonicContact OD1-NZ 2.69Å; D91-K163 PolarHBondContact OD1-NZ 3.16Å; D91-K163 WeakPolarHBondContact OD2-CD 3.3Å; D91-K163 VanDerWaalsContact OD2-CE 3.27Å; D91-K163 WeakPolarHBondContact OD2-CE 3.49Å; D91-K163 IonicContact OD2-NZ 3.06Å; D91-K163 PolarHBondContact OD2-NZ 3.47Å; D91-K166 IonicContact OD1-NZ 2.8Å
92H98.8Very high98Very high39 Ų3935 Ų3518%0.18122%0.219CC..EExtended strand (participates in β ladder)trans-83.5135.2172.5-73.2-156.1000109.1G75 I164 K166 L170G75-H92 WeakPolarHBondContact O-CA 3.35Å; H92-I164 HydrophobicContact CB-CD1 4.32Å; H92-I164 HydrophobicContact CB-CG1 3.8Å; H92-I164 WeakPolarHBondContact O-CG1 3.16Å; H92-I164 PolarHBondContact O-N 3.11Å; H92-K166 PolarHBondContact CE1-O 2.86Å; H92-K166 PolarHBondContact ND1-O 2.96Å; H92-K166 VanDerWaalsContact ND1-O 3.15Å; H92-L170 HydrophobicContact CB-CD2 4.19Å
93V98.9Very high98.1Very high0 Ų034.4 Ų34.40%022%0.216CC..EExtended strand (participates in β ladder)trans-142.6152.6-171.8-67.50000113.3I41 G75 V77 V87 L161 A162I41-V93 HydrophobicContact CD1-CG2 3.84Å; I41-V93 HydrophobicContact CG1-CG2 4.13Å; I41-V93 HydrophobicContact CG2-CG2 3.65Å; G75-V93 PolarHBondContact N-O 3.3Å; G75-V93 PolarHBondContact O-N 3.45Å; V77-V93 HydrophobicContact CG2-CB 4.49Å; V77-V93 HydrophobicContact CG2-CG1 3.66Å; V77-V93 HydrophobicContact CG2-CG2 3.94Å; V87-V93 HydrophobicContact CG1-CG1 4.05Å; V93-L161 HydrophobicContact CB-CD2 4.2Å; V93-L161 HydrophobicContact CG2-CD2 4.22Å; V93-A162 CarbonylContact C-O 3.12Å; V93-A162 WeakPolarHBondContact CA-O 3.49Å
94I98.9Very high98.1Very high0 Ų032.3 Ų32.30%019%0.191CC..EExtended strand (participates in β ladder)trans-114.1120.6167.2-67.6170.8000108.5A74 L96 A162 I164 V173 L176 V332 V336A74-I94 HydrophobicContact CB-CG1 4.23Å; I94-L96 HydrophobicContact CG2-CD2 4.33Å; I94-A162 PolarHBondContact N-O 3.3Å; I94-A162 PolarHBondContact O-N 2.83Å; I94-I164 HydrophobicContact CD1-CD1 4.15Å; I94-I164 HydrophobicContact CD1-CG2 4Å; I94-I164 HydrophobicContact CG1-CD1 4.03Å; I94-I164 HydrophobicContact CG1-CG2 4.22Å; I94-V173 HydrophobicContact CD1-CB 4.22Å; I94-V173 HydrophobicContact CD1-CG2 4.26Å; I94-V173 WeakPolarHBondContact CD1-O 3.35Å; I94-L176 HydrophobicContact CD1-CB 4.44Å; I94-V332 HydrophobicContact CB-CG1 4.18Å; I94-V332 HydrophobicContact CD1-CG1 3.74Å; I94-V332 HydrophobicContact CG2-CG1 4.23Å; I94-V336 HydrophobicContact CD1-CG2 3.92Å
95P98.7Very high98.1Very high0 Ų039 Ų390%022%0.218CC..EExtended strand (participates in β ladder)trans-52.1137.3163.2-34.542.4000114I41 I43 G73 C147 T149 L156 L161I41-P95 HydrophobicContact CD1-CG 4.44Å; I43-P95 HydrophobicContact CD1-CG 4.03Å; G73-P95 WeakPolarHBondContact O-CD 3.32Å; P95-C147 HydrophobicContact CB-CB 4.14Å; P95-T149 HydrophobicContact CB-CG2 4.07Å; P95-T149 HydrophobicContact CG-CG2 3.89Å; P95-L156 HydrophobicContact CB-CD2 3.68Å; P95-L156 HydrophobicContact CG-CD2 4.16Å; P95-L161 HydrophobicContact CG-CD2 4.45Å
96L98.5Very high98.2Very high1 Ų137.1 Ų37.11%0.00520%0.197CC..  trans-123.5114.4-176.3-54.6170.4000110.7I94 I98 S160 A162 R329 V332I94-L96 HydrophobicContact CG2-CD2 4.33Å; L96-I98 VanDerWaalsContact C-N 3.29Å; L96-I98 PolarHBondContact O-N 2.9Å; L96-S160 WeakPolarHBondContact CB-O 3.22Å; L96-S160 PolarHBondContact N-O 2.97Å; L96-S160 WeakPolarHBondContact O-CB 3.49Å; L96-A162 HydrophobicContact CD1-CB 3.93Å; L96-A162 HydrophobicContact CD2-CB 4.07Å; L96-A162 HydrophobicContact CG-CB 4.26Å; L96-R329 HydrophobicContact CD1-CB 4.4Å; L96-R329 HydrophobicContact CD1-CG 3.54Å; L96-V332 HydrophobicContact CD2-CB 4.28Å; L96-V332 HydrophobicContact CD2-CG1 4.41Å; L96-V332 HydrophobicContact CD2-CG2 3.77Å
97Y97.6Very high98.2Very high35 Ų3535.8 Ų35.814%0.13719%0.188CC..SBendtrans-72.8-22.6175.972.2-87.5000113.3P99 Q122 M145 G177 C178 F323Y97-P99 WeakPolarHBondContact O-CD 3.48Å; Y97-Q122 PolarHBondContact O-NE2 3.16Å; Y97-M145 HydrophobicContact CD1-CE 4.33Å; Y97-M145 HydrophobicContact CD2-CE 3.38Å; Y97-M145 HydrophobicContact CE2-CE 4.01Å; Y97-M145 HydrophobicContact CG-CE 3.55Å; Y97-G177 WeakPolarHBondContact CD1-O 3.2Å; Y97-G177 VanDerWaalsContact CE1-O 3.26Å; Y97-G177 WeakPolarHBondContact CE1-O 3.44Å; Y97-C178 HydrophobicContact CE1-CB 4.13Å; Y97-F323 AromaticContact CE1-CD2 3.62Å; Y97-F323 HydrophobicContact CE1-CD2 3.62Å; Y97-F323 HydrophobicContact CE1-CE2 4.1Å; Y97-F323 HydrophobicContact CE1-CG 4.23Å; Y97-F323 AromaticContact CZ-CD2 3.8Å; Y97-F323 WeakPolarHBondContact OH-CB 3.24Å; Y97-F323 WeakPolarHBondContact OH-CD2 3.36Å
98I97.9Very high98.2Very high16 Ų1641.4 Ų41.48%0.08222%0.217CC..SBendtrans-100.6107.3163.6-54.7-163.6000107.4L96 N113 L114 A322 F323 S328L96-I98 VanDerWaalsContact C-N 3.29Å; L96-I98 PolarHBondContact O-N 2.9Å; I98-N113 VanDerWaalsContact CG2-O 3.27Å; I98-N113 WeakPolarHBondContact CG2-O 3.32Å; I98-L114 HydrophobicContact CD1-CD2 4.2Å; I98-A322 HydrophobicContact CD1-CB 4.07Å; I98-F323 HydrophobicContact CD1-CB 3.52Å; I98-F323 HydrophobicContact CG1-CB 4.14Å; I98-S328 WeakPolarHBondContact O-CB 3.41Å; I98-S328 PolarHBondContact O-OG 2.8Å
99P98.1Very high98.1Very high3 Ų339.5 Ų39.52%0.01921%0.207CC..  trans-70.6171.1179.728.3-33.4000111.5Y97 C115 I118 I159Y97-P99 WeakPolarHBondContact O-CD 3.48Å; P99-C115 HydrophobicContact CG-CB 4.03Å; P99-C115 WeakPolarHBondContact O-CB 3.34Å; P99-I118 HydrophobicContact CB-CD1 4.19Å; P99-I118 HydrophobicContact CB-CG1 4.37Å; P99-I118 HydrophobicContact CG-CD1 4Å; P99-I118 HydrophobicContact CG-CG1 3.76Å; P99-I159 CarbonylContact C-O 3.48Å; P99-I159 VanDerWaalsContact CA-O 3.3Å; P99-I159 WeakPolarHBondContact CA-O 3.2Å; P99-I159 HydrophobicContact CB-CB 4.45Å; P99-I159 HydrophobicContact CB-CD1 3.93Å; P99-I159 HydrophobicContact CB-CG1 3.93Å; P99-I159 WeakPolarHBondContact CB-O 3.15Å
100Q98.6Very high98Very high3 Ų347 Ų471%0.01424%0.236CC..  trans-140.9103.2170.2-179178-11.700110.5N102 I159 K327 S328 R329 D330Q100-N102 VanDerWaalsContact CG-OD1 3.27Å; Q100-N102 WeakPolarHBondContact CG-OD1 3.27Å; Q100-N102 PolarHBondContact NE2-OD1 2.99Å; Q100-I159 PolarHBondContact N-O 3.02Å; Q100-K327 PolarHBondContact OE1-O 3.19Å; Q100-S328 VanDerWaalsContact OE1-N 3.15Å; Q100-R329 HydrophobicContact CB-CB 4.06Å; Q100-R329 HydrophobicContact CB-CG 3.84Å; Q100-R329 HydrophobicContact CG-CB 4.48Å; Q100-R329 VanDerWaalsContact O-CD 3.23Å; Q100-R329 WeakPolarHBondContact O-CD 3.3Å; Q100-D330 PolarHBondContact NE2-OD1 3.01Å; Q100-D330 PolarHBondContact NE2-OD2 3.01Å
101C97.9Very high97.9Very high11 Ų1153.8 Ų53.87%0.07426%0.259CS..  trans-90.6-12.7-177.474.40000114.4Q103 C104 C115 K117 I159C101-Q103 WeakPolarHBondContact O-CG 3.47Å; C101-Q103 PolarHBondContact O-N 3.16Å; C101-Q103 PolarHBondContact SG-N 2.94Å; C101-C104 PolarHBondContact SG-N 3.19Å; C101-C104 VanDerWaalsContact SG-SG 3.67Å; C101-C115 VanDerWaalsContact SG-SG 3.65Å; C101-K117 HydrophobicContact CB-CB 3.97Å; C101-K117 HydrophobicContact CB-CG 4.03Å; C101-I159 HydrophobicContact CB-CB 4.47Å; C101-I159 HydrophobicContact CB-CD1 4.05Å; C101-I159 HydrophobicContact CB-CG2 4.1Å
102N97.4Very high97.9Very high76 Ų7655.3 Ų55.341%0.40627%0.268SS..SBendtrans57.512.1-177.4-66.4-27.1000116.1Q100 L108Q100-N102 VanDerWaalsContact CG-OD1 3.27Å; Q100-N102 WeakPolarHBondContact CG-OD1 3.27Å; Q100-N102 PolarHBondContact NE2-OD1 2.99Å; N102-L108 WeakPolarHBondContact O-CD2 3.47Å
103Q97.3Very high97.8Very high145 Ų14554.1 Ų54.168%0.67826%0.263SS*.SBendtrans-125.7-30.6-175.1-68.3175.4-5.300113.5C101C101-Q103 WeakPolarHBondContact O-CG 3.47Å; C101-Q103 PolarHBondContact O-N 3.16Å; C101-Q103 PolarHBondContact SG-N 2.94Å
104C97.9Very high97.8Very high20 Ų2058.2 Ų58.214%0.13528%0.284CS..SBendtrans-76.5157.3-179.177.30000111.5C101 F106 C107 L108C101-C104 PolarHBondContact SG-N 3.19Å; C101-C104 VanDerWaalsContact SG-SG 3.67Å; C104-F106 PolarHBondContact O-N 3.08Å; C104-C107 PolarHBondContact O-N 3.37Å; C104-C107 PolarHBondContact SG-N 2.84Å; C104-C107 VanDerWaalsContact SG-N 3.44Å; C104-C107 VanDerWaalsContact SG-SG 3.68Å; C104-L108 WeakPolarHBondContact O-CG 3.31Å; C104-L108 PolarHBondContact O-N 2.8Å
105K97.9Very high97.8Very high160 Ų16058.6 Ų58.670%0.69629%0.287SS*.Hα-helixtrans-51.8-33.1179.470.2179.2-175.1177.10113.9S109K105-S109 WeakPolarHBondContact O-CB 3.45Å; K105-S109 PolarHBondContact O-N 3.45Å; K105-S109 VanDerWaalsContact O-N 3.08Å
106F98.2Very high97.6Very high68 Ų6861.3 Ų61.330%0.29831%0.306SS..Hα-helixtrans-71-45.5177.5-61.7-88.3000111.7C104 L108 S109 T112 L114 S116C104-F106 PolarHBondContact O-N 3.08Å; F106-L108 VanDerWaalsContact C-N 3.31Å; F106-L108 PolarHBondContact O-N 3.21Å; F106-S109 PolarHBondContact O-N 3.29Å; F106-T112 HydrophobicContact CB-CG2 4Å; F106-T112 HydrophobicContact CD1-CG2 3.99Å; F106-T112 WeakPolarHBondContact O-CG2 3.38Å; F106-L114 WeakPolarHBondContact CB-O 3.27Å; F106-L114 VanDerWaalsContact CG-O 3.25Å; F106-L114 WeakPolarHBondContact CG-O 3.48Å; F106-S116 VanDerWaalsContact CD2-OG 3.31Å; F106-S116 WeakPolarHBondContact CD2-OG 3.33Å; F106-S116 WeakPolarHBondContact CE2-OG 3.41Å
107C98.3Very high97.6Very high11 Ų1167.3 Ų67.37%0.07433%0.332CS..Hα-helixtrans-64.4-37.2176.1-720000112.2C104 S109 C115 K327C104-C107 PolarHBondContact O-N 3.37Å; C104-C107 PolarHBondContact SG-N 2.84Å; C104-C107 VanDerWaalsContact SG-N 3.44Å; C104-C107 VanDerWaalsContact SG-SG 3.68Å; C107-S109 VanDerWaalsContact C-N 3.31Å; C107-C115 VanDerWaalsContact SG-SG 3.63Å; C107-K327 PolarHBondContact O-NZ 2.94Å
108L98Very high97.6Very high123 Ų12366.4 Ų66.464%0.64433%0.329SS*.Hα-helixtrans-73.9-21.6178.6-62.5177.8000113.1N102 C104 F106N102-L108 WeakPolarHBondContact O-CD2 3.47Å; C104-L108 WeakPolarHBondContact O-CG 3.31Å; C104-L108 PolarHBondContact O-N 2.8Å; F106-L108 VanDerWaalsContact C-N 3.31Å; F106-L108 PolarHBondContact O-N 3.21Å
109S97.6Very high97.4Very high41 Ų4170.4 Ų70.429%0.28734%0.344SS..  trans-75.5144.4174.4-179.50000111.7K105 F106 C107 E111 K327K105-S109 WeakPolarHBondContact O-CB 3.45Å; K105-S109 PolarHBondContact O-N 3.45Å; K105-S109 VanDerWaalsContact O-N 3.08Å; F106-S109 PolarHBondContact O-N 3.29Å; C107-S109 VanDerWaalsContact C-N 3.31Å; S109-E111 VanDerWaalsContact C-N 3.33Å; S109-E111 PolarHBondContact OG-N 2.86Å; S109-E111 VanDerWaalsContact OG-N 3.09Å; S109-K327 PolarHBondContact O-NZ 3.04Å
110K95.5Very high97.2Very high200 Ų20075.8 Ų75.887%0.8737%0.368SS*.SBendtrans-82.2-13.3170.7-65.7-178.1179.5179.10112.9T112K110-T112 PolarHBondContact O-N 2.83Å
111E95.5Very high97.2Very high173 Ų17376.3 Ų76.381%0.80837%0.372SS*.SBendtrans-85.1-5.4-173.2-56.7-55140.200113.8S109S109-E111 VanDerWaalsContact C-N 3.33Å; S109-E111 PolarHBondContact OG-N 2.86Å; S109-E111 VanDerWaalsContact OG-N 3.09Å
112T97.8Very high97.1Very high36 Ų3676.4 Ų76.422%0.22137%0.371CS..  trans-157.4156.6-172.6-169.90000114F106 K110 L114 K327F106-T112 HydrophobicContact CB-CG2 4Å; F106-T112 HydrophobicContact CD1-CG2 3.99Å; F106-T112 WeakPolarHBondContact O-CG2 3.38Å; K110-T112 PolarHBondContact O-N 2.83Å; T112-L114 PolarHBondContact OG1-N 3.39Å; T112-L114 VanDerWaalsContact OG1-N 3.14Å; T112-K327 PolarHBondContact O-NZ 3.37Å
113N98.4Very high96.8Very high15 Ų1573.5 Ų73.58%0.0836%0.36CS..  trans-108.22.3169.366.9-29.4000113.8I98 C115 A322 W326 K327I98-N113 VanDerWaalsContact CG2-O 3.27Å; I98-N113 WeakPolarHBondContact CG2-O 3.32Å; N113-C115 VanDerWaalsContact C-N 3.35Å; N113-C115 PolarHBondContact O-N 2.88Å; N113-A322 PolarHBondContact ND2-O 3.41Å; N113-W326 WeakPolarHBondContact CB-O 3.22Å; N113-W326 PolarHBondContact ND2-N 3.14Å; N113-W326 PolarHBondContact ND2-O 3.02Å; N113-K327 HydrophobicContact CB-CG 4.44Å
114L98.1Very high96.8Very high85 Ų8571.9 Ų71.945%0.44535%0.35SS..  trans-80.472.3-171.2-63.7175.8000113I98 F106 T112 S116 A322I98-L114 HydrophobicContact CD1-CD2 4.2Å; F106-L114 WeakPolarHBondContact CB-O 3.27Å; F106-L114 VanDerWaalsContact CG-O 3.25Å; F106-L114 WeakPolarHBondContact CG-O 3.48Å; T112-L114 PolarHBondContact OG1-N 3.39Å; T112-L114 VanDerWaalsContact OG1-N 3.14Å; L114-S116 PolarHBondContact O-N 3.46Å; L114-A322 HydrophobicContact CD2-CB 3.64Å
115C98.5Very high96.8Very high9 Ų971 Ų716%0.06135%0.345CS..  trans-55.9124.6173.8-1790000111.4P99 C101 C107 N113P99-C115 HydrophobicContact CG-CB 4.03Å; P99-C115 WeakPolarHBondContact O-CB 3.34Å; C101-C115 VanDerWaalsContact SG-SG 3.65Å; C107-C115 VanDerWaalsContact SG-SG 3.63Å; N113-C115 VanDerWaalsContact C-N 3.35Å; N113-C115 PolarHBondContact O-N 2.88Å
116S95.6Very high96.8Very high56 Ų5665.4 Ų65.439%0.39232%0.322SS..  trans-97.73-177.671.70000114F106 L114 I118 R119F106-S116 VanDerWaalsContact CD2-OG 3.31Å; F106-S116 WeakPolarHBondContact CD2-OG 3.33Å; F106-S116 WeakPolarHBondContact CE2-OG 3.41Å; L114-S116 PolarHBondContact O-N 3.46Å; S116-I118 VanDerWaalsContact C-N 3.31Å; S116-I118 PolarHBondContact O-N 3.06Å; S116-R119 PolarHBondContact O-N 3.37Å
117K97.3Very high96.8Very high127 Ų12762.3 Ų62.355%0.55231%0.309SS*.THydrogen-bonded Turntrans-59.1-37.2-165.2-176.864.7178.7-172.50113.9C101 I159C101-K117 HydrophobicContact CB-CB 3.97Å; C101-K117 HydrophobicContact CB-CG 4.03Å; K117-I159 HydrophobicContact CB-CD1 3.98Å; K117-I159 HydrophobicContact CG-CD1 3.87Å
118I96.9Very high96.8Very high16 Ų1664.6 Ų64.68%0.08232%0.324CS..THydrogen-bonded Turntrans-12411.2-176.360.8167.8000112.7P99 S116 E120 T121 Q122 P128 P157 I159P99-I118 HydrophobicContact CB-CD1 4.19Å; P99-I118 HydrophobicContact CB-CG1 4.37Å; P99-I118 HydrophobicContact CG-CD1 4Å; P99-I118 HydrophobicContact CG-CG1 3.76Å; S116-I118 VanDerWaalsContact C-N 3.31Å; S116-I118 PolarHBondContact O-N 3.06Å; I118-E120 VanDerWaalsContact C-N 3.27Å; I118-E120 PolarHBondContact O-N 3.48Å; I118-T121 PolarHBondContact O-N 2.75Å; I118-T121 PolarHBondContact O-OG1 2.89Å; I118-Q122 WeakPolarHBondContact O-CB 3.45Å; I118-Q122 PolarHBondContact O-N 3.4Å; I118-P128 HydrophobicContact CG2-CB 4.28Å; I118-P128 HydrophobicContact CG2-CG 3.85Å; I118-P157 HydrophobicContact CD1-CB 4.45Å; I118-P157 HydrophobicContact CD1-CG 3.95Å; I118-I159 HydrophobicContact CD1-CD1 4.45Å; I118-I159 HydrophobicContact CG1-CD1 4.39Å; I118-I159 HydrophobicContact CG2-CD1 3.91Å
119R94.7Very high96.7Very high100 Ų10062.7 Ų62.738%0.37731%0.314SS..Hα-helixtrans-61.3-36.6-170.7-177.364.8-150.1143.61.8112.6E62 S116 T121 G123E62-R119 IonicContact OE1-CZ 2.79Å; E62-R119 IonicContact OE1-NH2 3.32Å; E62-R119 PolarHBondContact OE1-NH2 2.72Å; E62-R119 IonicContact OE2-CZ 3.24Å; E62-R119 IonicContact OE2-NH2 3.68Å; E62-R119 PolarHBondContact OE2-NH2 3.02Å; S116-R119 PolarHBondContact O-N 3.37Å; R119-T121 PolarHBondContact O-N 3.15Å; R119-G123 PolarHBondContact O-N 3.25Å; R119-G123 VanDerWaalsContact O-N 3.17Å
120E94.3Very high96.7Very high116 Ų11668 Ų6854%0.54233%0.328SS..Hα-helixtrans-62.9-37.9-179.4-167-161.915100113.2I118 K124 R130I118-E120 VanDerWaalsContact C-N 3.27Å; I118-E120 PolarHBondContact O-N 3.48Å; E120-K124 WeakPolarHBondContact O-CD 3.48Å; E120-R130 IonicContact OE1-CZ 3.71Å; E120-R130 IonicContact OE1-NH1 2.56Å; E120-R130 IonicContact OE1-NH2 3.99Å; E120-R130 PolarHBondContact OE1-NH2 2.95Å; E120-R130 IonicContact OE2-NH2 3.58Å
121T97.4Very high96.8Very high14 Ų1460.3 Ų60.39%0.08630%0.299CS..Hα-helixtrans-87.8-38.7179.257.40000111.3I118 R119 G123 K124 G125 L126 M127 R130I118-T121 PolarHBondContact O-N 2.75Å; I118-T121 PolarHBondContact O-OG1 2.89Å; R119-T121 PolarHBondContact O-N 3.15Å; T121-G123 PolarHBondContact O-N 3.01Å; T121-K124 CarbonylContact O-C 3.48Å; T121-K124 WeakPolarHBondContact O-CA 3.28Å; T121-K124 PolarHBondContact O-N 2.87Å; T121-G125 PolarHBondContact O-N 2.97Å; T121-L126 CarbonylContact C-O 3.58Å; T121-L126 PolarHBondContact O-N 3.15Å; T121-M127 WeakPolarHBondContact CB-O 3.3Å; T121-R130 HydrophobicContact CG2-CG 3.99Å
122Q96.1Very high96.9Very high13 Ų1352.8 Ų52.86%0.06127%0.265CS..Hα-helixtrans-58.4-45.5-179.3-175.1-169.242.900112.2Y97 I118 K124 G125 M145Y97-Q122 PolarHBondContact O-NE2 3.16Å; I118-Q122 WeakPolarHBondContact O-CB 3.45Å; I118-Q122 PolarHBondContact O-N 3.4Å; Q122-K124 PolarHBondContact O-N 3.48Å; Q122-K124 VanDerWaalsContact O-N 3.16Å; Q122-G125 PolarHBondContact O-N 3.35Å; Q122-G125 VanDerWaalsContact O-N 3.1Å; Q122-M145 PolarHBondContact NE2-O 3.04Å
123G92.6Very high96.9Very high16 Ų1651.8 Ų51.817%0.16526%0.257CS..THydrogen-bonded Turntrans-69-5.1176.800000114.4R119 T121R119-G123 PolarHBondContact O-N 3.25Å; R119-G123 VanDerWaalsContact O-N 3.17Å; T121-G123 PolarHBondContact O-N 3.01Å
124K96.8Very high97Very high110 Ų11051.1 Ų51.148%0.47825%0.253SS..THydrogen-bonded Turntrans-1097.4174.6-61.1177.3-175.8172.70112.1E120 T121 Q122 L126 H142E120-K124 WeakPolarHBondContact O-CD 3.48Å; T121-K124 CarbonylContact O-C 3.48Å; T121-K124 WeakPolarHBondContact O-CA 3.28Å; T121-K124 PolarHBondContact O-N 2.87Å; Q122-K124 PolarHBondContact O-N 3.48Å; Q122-K124 VanDerWaalsContact O-N 3.16Å; K124-L126 VanDerWaalsContact C-N 3.34Å; K124-L126 HydrophobicContact CB-CD1 4.19Å; K124-L126 HydrophobicContact CB-CG 4.27Å; K124-L126 PolarHBondContact O-N 3Å; K124-H142 PolarHBondContact O-ND1 3.29Å
125G97.7Very high97Very high2 Ų251.7 Ų51.72%0.02125%0.252CS..THydrogen-bonded Turntrans65.832.9-176.200000114.3T121 Q122 H143T121-G125 PolarHBondContact O-N 2.97Å; Q122-G125 PolarHBondContact O-N 3.35Å; Q122-G125 VanDerWaalsContact O-N 3.1Å; G125-H143 WeakPolarHBondContact CA-O 3.46Å; G125-H143 PolarHBondContact O-N 2.89Å
126L98.3Very high97Very high42 Ų4251.4 Ų51.422%0.2225%0.25CS..  trans-119.2150.3-177.5-60.6175.4000112.3T121 K124 R130 V132T121-L126 CarbonylContact C-O 3.58Å; T121-L126 PolarHBondContact O-N 3.15Å; K124-L126 VanDerWaalsContact C-N 3.34Å; K124-L126 HydrophobicContact CB-CD1 4.19Å; K124-L126 HydrophobicContact CB-CG 4.27Å; K124-L126 PolarHBondContact O-N 3Å; L126-R130 HydrophobicContact CD1-CB 4.39Å; L126-V132 HydrophobicContact CD2-CG1 3.76Å
127M98.1Very high97Very high4 Ų457 Ų572%0.0226%0.263CS..  trans-67.4166.3167.4-63.4-53.1-72.400111.2E38 T121 D129 R130 S131 R133 V155 P157E38-M127 HydrophobicContact CB-CE 4.43Å; E38-M127 HydrophobicContact CG-CE 3.75Å; E38-M127 VanDerWaalsContact OE1-CE 3.23Å; E38-M127 WeakPolarHBondContact OE1-CE 3.48Å; T121-M127 WeakPolarHBondContact CB-O 3.3Å; M127-D129 WeakPolarHBondContact CB-OD1 3.38Å; M127-D129 PolarHBondContact O-N 3.07Å; M127-D129 VanDerWaalsContact O-N 3.14Å; M127-R130 WeakPolarHBondContact O-CA 3.32Å; M127-R130 PolarHBondContact O-N 3.48Å; M127-S131 WeakPolarHBondContact CB-O 3.45Å; M127-S131 PolarHBondContact N-O 2.85Å; M127-R133 HydrophobicContact CG-CG 3.8Å; M127-R133 HydrophobicContact SD-CG 4.32Å; M127-V155 HydrophobicContact CE-CG1 3.99Å; M127-P157 HydrophobicContact CE-CG 4.11Å
128P96.8Very high96.9Very high59 Ų5954.9 Ų54.938%0.38328%0.277SS..THydrogen-bonded Turntrans-57.4-29-179-2736.6000114.2I118 R130 P157I118-P128 HydrophobicContact CG2-CB 4.28Å; I118-P128 HydrophobicContact CG2-CG 3.85Å; P128-R130 PolarHBondContact O-N 2.82Å; P128-P157 HydrophobicContact CG-CB 4.08Å; P128-P157 HydrophobicContact CG-CG 3.52Å
129D96.6Very high96.9Very high83 Ų8362.2 Ų62.244%0.44430%0.303SS..THydrogen-bonded Turntrans-79.96.4175.471.1-3.3000113.9M127 S131 R133M127-D129 WeakPolarHBondContact CB-OD1 3.38Å; M127-D129 PolarHBondContact O-N 3.07Å; M127-D129 VanDerWaalsContact O-N 3.14Å; D129-S131 VanDerWaalsContact C-N 3.26Å; D129-S131 PolarHBondContact O-N 3.18Å; D129-S131 WeakPolarHBondContact OD1-CB 3.28Å; D129-S131 PolarHBondContact OD1-N 3.45Å; D129-S131 PolarHBondContact OD1-OG 2.87Å; D129-S131 PolarHBondContact OD2-OG 3.38Å; D129-R133 IonicContact OD1-NH2 3.53Å; D129-R133 IonicContact OD2-CZ 2.73Å; D129-R133 IonicContact OD2-NH1 3.79Å; D129-R133 IonicContact OD2-NH2 3.32Å; D129-R133 PolarHBondContact OD2-NH2 2.63Å
130R97.5Very high97.1Very high153 Ų15363.3 Ų63.358%0.57731%0.313SS*.SBendtrans66.719.1-177.6-53176.4172-116.6-12.1114.7E120 T121 L126 M127 P128E120-R130 IonicContact OE1-CZ 3.71Å; E120-R130 IonicContact OE1-NH1 2.56Å; E120-R130 IonicContact OE1-NH2 3.99Å; E120-R130 PolarHBondContact OE1-NH2 2.95Å; E120-R130 IonicContact OE2-NH2 3.58Å; T121-R130 HydrophobicContact CG2-CG 3.99Å; L126-R130 HydrophobicContact CD1-CB 4.39Å; M127-R130 WeakPolarHBondContact O-CA 3.32Å; M127-R130 PolarHBondContact O-N 3.48Å; P128-R130 PolarHBondContact O-N 2.82Å
131S97.5Very high97.3Very high37 Ų3757.8 Ų57.826%0.25929%0.287SS..  trans-108.8177.917473.70000112.1M127 D129 R133M127-S131 WeakPolarHBondContact CB-O 3.45Å; M127-S131 PolarHBondContact N-O 2.85Å; D129-S131 VanDerWaalsContact C-N 3.26Å; D129-S131 PolarHBondContact O-N 3.18Å; D129-S131 WeakPolarHBondContact OD1-CB 3.28Å; D129-S131 PolarHBondContact OD1-N 3.45Å; D129-S131 PolarHBondContact OD1-OG 2.87Å; D129-S131 PolarHBondContact OD2-OG 3.38Å; S131-R133 PolarHBondContact OG-NH1 3.24Å
132V98.2Very high97.4Very high15 Ų1559 Ų599%0.09129%0.291CS..  trans-111.9163.7172.1-620000110.3L126 Q140L126-V132 HydrophobicContact CD2-CG1 3.76Å; V132-Q140 HydrophobicContact CG2-CB 3.72Å; V132-Q140 HydrophobicContact CG2-CG 3.59Å
133R98.6Very high97.5Very high16 Ų1658.5 Ų58.56%0.0629%0.289CS..SBendtrans-112.6-5.8176.4-63.2-76.8173.5-86.5-4.1112.8V31 A32 S35 E38 M127 D129 S131 H143 V155V31-R133 WeakPolarHBondContact CA-O 3.32Å; A32-R133 HydrophobicContact CB-CB 4.41Å; A32-R133 PolarHBondContact N-O 2.91Å; S35-R133 PolarHBondContact OG-NH2 3.36Å; E38-R133 IonicContact OE1-CZ 3.25Å; E38-R133 IonicContact OE1-NE 3.01Å; E38-R133 IonicContact OE1-NH2 3.43Å; E38-R133 PolarHBondContact OE1-NH2 3.06Å; E38-R133 IonicContact OE2-CZ 2.83Å; E38-R133 VanDerWaalsContact OE2-CZ 3.26Å; E38-R133 IonicContact OE2-NE 2.9Å; E38-R133 PolarHBondContact OE2-NE 2.86Å; E38-R133 IonicContact OE2-NH2 3.42Å; E38-R133 PolarHBondContact OE2-NH2 3.43Å; M127-R133 HydrophobicContact CG-CG 3.8Å; M127-R133 HydrophobicContact SD-CG 4.32Å; D129-R133 IonicContact OD1-NH2 3.53Å; D129-R133 IonicContact OD2-CZ 2.73Å; D129-R133 IonicContact OD2-NH1 3.79Å; D129-R133 IonicContact OD2-NH2 3.32Å; D129-R133 PolarHBondContact OD2-NH2 2.63Å; S131-R133 PolarHBondContact OG-NH1 3.24Å; R133-H143 PolarHBondContact N-NE2 2.63Å; R133-H143 VanDerWaalsContact N-NE2 3.18Å; R133-V155 HydrophobicContact CB-CB 3.93Å; R133-V155 HydrophobicContact CB-CG2 4.04Å; R133-V155 HydrophobicContact CG-CB 3.77Å; R133-V155 HydrophobicContact CG-CG1 3.84Å; R133-V155 HydrophobicContact CG-CG2 4.19Å
134F98.8Very high97.8Very high0 Ų058.4 Ų58.40%028%0.284CS..EExtended strand (participates in β ladder)trans-108.7135.3-179.6-57.9-63000111.4E30 V31 I68 V141 H143 Y153E30-F134 WeakPolarHBondContact O-CA 3.26Å; V31-F134 HydrophobicContact CB-CD1 4.44Å; V31-F134 HydrophobicContact CB-CE1 4.4Å; V31-F134 HydrophobicContact CG1-CD1 4.26Å; V31-F134 HydrophobicContact CG1-CE1 3.89Å; V31-F134 HydrophobicContact CG2-CD1 3.89Å; V31-F134 HydrophobicContact CG2-CE1 3.81Å; I68-F134 HydrophobicContact CD1-CB 4.23Å; I68-F134 HydrophobicContact CD1-CD1 3.77Å; I68-F134 HydrophobicContact CD1-CD2 3.93Å; I68-F134 HydrophobicContact CD1-CE1 4.01Å; I68-F134 HydrophobicContact CD1-CE2 4.15Å; I68-F134 HydrophobicContact CD1-CG 3.72Å; I68-F134 HydrophobicContact CD1-CZ 4.19Å; F134-V141 HydrophobicContact CB-CB 3.86Å; F134-V141 PolarHBondContact O-N 3.1Å; F134-H143 AromaticContact CD2-CE1 3.73Å; F134-H143 AromaticContact CD2-ND1 3.89Å; F134-H143 AromaticContact CD2-NE2 3.93Å; F134-H143 AromaticContact CE2-CE1 3.31Å; F134-H143 WeakPolarHBondContact CE2-CE1 3.47Å; F134-H143 AromaticContact CE2-CG 3.98Å; F134-H143 AromaticContact CE2-ND1 3.29Å; F134-H143 VanDerWaalsContact CE2-ND1 3.29Å; F134-H143 WeakPolarHBondContact CE2-ND1 3.23Å; F134-H143 AromaticContact CE2-NE2 3.99Å; F134-Y153 WeakPolarHBondContact CE1-O 3.27Å
135K98.6Very high97.8Very high97 Ų9755 Ų5542%0.42227%0.271SS..EExtended strand (participates in β ladder)trans-126.4144.8162.3-64174.7-171.5159.10110.3V29 E30 R139V29-K135 CarbonylContact C-O 3.59Å; V29-K135 WeakPolarHBondContact CA-O 3.26Å; E30-K135 HydrophobicContact CB-CB 4.28Å; E30-K135 PolarHBondContact N-O 3.06Å; E30-K135 PolarHBondContact O-N 2.69Å; E30-K135 IonicContact OE1-NZ 3.22Å; K135-R139 CarbonylContact C-O 3.51Å; K135-R139 WeakPolarHBondContact CA-O 3.45Å
136C98.6Very high97.7Very high3 Ų355.3 Ų55.32%0.0227%0.274CS..EExtended strand (participates in β ladder)trans-142.7129.6174.1-173.10000108.6W18 E27 V29 G138 R139 V141W18-C136 HydrophobicContact CH2-CB 4.02Å; W18-C136 HydrophobicContact CZ2-CB 4.19Å; E27-C136 VanDerWaalsContact CB-SG 3.54Å; V29-C136 HydrophobicContact CG1-CB 3.96Å; C136-G138 PolarHBondContact O-N 3.19Å; C136-R139 PolarHBondContact N-O 3.49Å; C136-R139 PolarHBondContact O-N 2.89Å; C136-V141 HydrophobicContact CB-CG2 3.59Å
137R96.4Very high97.7Very high174 Ų17453.3 Ų53.366%0.65726%0.263SS*.THydrogen-bonded Turntrans52.240.4-179.2-55.7173.8-179.4-163.4-5.1112.9E27 R139E27-R137 IonicContact OE1-CZ 3.35Å; E27-R137 IonicContact OE1-NE 3.23Å; E27-R137 PolarHBondContact OE1-NE 3.07Å; E27-R137 IonicContact OE1-NH1 2.78Å; E27-R137 IonicContact OE1-NH2 2.89Å; E27-R137 PolarHBondContact OE1-NH2 2.81Å; E27-R137 IonicContact OE2-CZ 2.8Å; E27-R137 VanDerWaalsContact OE2-CZ 3.25Å; E27-R137 IonicContact OE2-NE 2.76Å; E27-R137 PolarHBondContact OE2-NE 3.26Å; E27-R137 IonicContact OE2-NH2 3.28Å; E27-R137 PolarHBondContact OE2-NH2 2.81Å; R137-R139 PolarHBondContact O-N 2.93Å
138G94.7Very high97.7Very high82 Ų8253.1 Ų53.185%0.84526%0.262SS*.THydrogen-bonded Turntrans71.22.2-177.900000115.6C136C136-G138 PolarHBondContact O-N 3.19Å
139R97.4Very high97.8Very high171 Ų17150.3 Ų50.365%0.64524%0.244SC*.EExtended strand (participates in β ladder)trans-104.3148.7178.3-60.7-178.4-178.2-175.2-0.3110.8K135 C136 R137K135-R139 CarbonylContact C-O 3.51Å; K135-R139 WeakPolarHBondContact CA-O 3.45Å; C136-R139 PolarHBondContact N-O 3.49Å; C136-R139 PolarHBondContact O-N 2.89Å; R137-R139 PolarHBondContact O-N 2.93Å
140Q98Very high97.9Very high122 Ų12246.4 Ų46.457%0.5722%0.223SC*.EExtended strand (participates in β ladder)trans-66.4141.1169.1-74.3-176.9-15.200110.2P66 V132P66-Q140 WeakPolarHBondContact CG-O 3.36Å; V132-Q140 HydrophobicContact CG2-CB 3.72Å; V132-Q140 HydrophobicContact CG2-CG 3.59Å
141V98.8Very high98Very high0 Ų039.1 Ų39.10%020%0.195CC..EExtended strand (participates in β ladder)trans-120.9130.9173-177.60000108.1V16 P66 I68 F134 C136V16-V141 HydrophobicContact CG1-CG1 4.15Å; P66-V141 HydrophobicContact CB-CG1 4.47Å; P66-V141 HydrophobicContact CG-CG2 4.32Å; I68-V141 HydrophobicContact CD1-CG1 4.37Å; I68-V141 HydrophobicContact CG1-CG1 3.91Å; F134-V141 HydrophobicContact CB-CB 3.86Å; F134-V141 PolarHBondContact O-N 3.1Å; C136-V141 HydrophobicContact CB-CG2 3.59Å
142H98.7Very high98.1Very high39 Ų3939 Ų3918%0.18119%0.191CC..BIsolated β-bridgetrans-74.9156.4-175.9-71-87.5000112.1V64 P66 V67 I68 K124V64-H142 HydrophobicContact CG1-CB 3.68Å; P66-H142 WeakPolarHBondContact O-CB 3.48Å; P66-H142 PolarHBondContact O-CD2 2.9Å; P66-H142 PolarHBondContact O-N 3.26Å; V67-H142 WeakPolarHBondContact CA-O 3.32Å; V67-H142 HydrophobicContact CB-CB 4.3Å; V67-H142 HydrophobicContact CG2-CB 4.35Å; V67-H142 WeakPolarHBondContact CG2-O 3.35Å; I68-H142 PolarHBondContact N-O 3.37Å; K124-H142 PolarHBondContact O-ND1 3.29Å
143H98.7Very high98.1Very high4 Ų440.2 Ų40.22%0.01919%0.194CC..  trans-82.5158.7168.8-69.5-98.3000111.2G125 R133 F134 S148 V155G125-H143 WeakPolarHBondContact CA-O 3.46Å; G125-H143 PolarHBondContact O-N 2.89Å; R133-H143 PolarHBondContact N-NE2 2.63Å; R133-H143 VanDerWaalsContact N-NE2 3.18Å; F134-H143 AromaticContact CD2-CE1 3.73Å; F134-H143 AromaticContact CD2-ND1 3.89Å; F134-H143 AromaticContact CD2-NE2 3.93Å; F134-H143 AromaticContact CE2-CE1 3.31Å; F134-H143 WeakPolarHBondContact CE2-CE1 3.47Å; F134-H143 AromaticContact CE2-CG 3.98Å; F134-H143 AromaticContact CE2-ND1 3.29Å; F134-H143 VanDerWaalsContact CE2-ND1 3.29Å; F134-H143 WeakPolarHBondContact CE2-ND1 3.23Å; F134-H143 AromaticContact CE2-NE2 3.99Å; H143-S148 VanDerWaalsContact CA-OG 3.26Å; H143-S148 WeakPolarHBondContact CA-OG 3.37Å; H143-V155 PolarHBondContact CE1-O 2.98Å
144F98.4Very high98.1Very high14 Ų1439.4 Ų39.46%0.06119%0.191CC..SBendtrans-123.4124176.6-180-114.8000110.4T51 D52 T55 V67 I68 L69 H71 G146 C147 S148T51-F144 HydrophobicContact CG2-CZ 4.23Å; D52-F144 VanDerWaalsContact OD1-CE1 3.22Å; D52-F144 WeakPolarHBondContact OD1-CE1 3.25Å; T55-F144 HydrophobicContact CG2-CD2 4.3Å; T55-F144 HydrophobicContact CG2-CE2 3.85Å; T55-F144 VanDerWaalsContact OG1-CE2 3.29Å; T55-F144 WeakPolarHBondContact OG1-CE2 3.3Å; V67-F144 HydrophobicContact CG2-CB 3.78Å; I68-F144 WeakPolarHBondContact O-CB 3.12Å; L69-F144 HydrophobicContact CB-CD1 4.27Å; L69-F144 HydrophobicContact CD2-CB 4.23Å; L69-F144 HydrophobicContact CD2-CD1 4.07Å; L69-F144 HydrophobicContact CD2-CD2 3.67Å; L69-F144 HydrophobicContact CD2-CE1 4.32Å; L69-F144 HydrophobicContact CD2-CE2 3.97Å; L69-F144 HydrophobicContact CD2-CG 3.71Å; L69-F144 HydrophobicContact CD2-CZ 4.26Å; H71-F144 AromaticContact ND1-CE1 3.85Å; F144-G146 PolarHBondContact O-N 2.99Å; F144-C147 PolarHBondContact O-N 3.35Å; F144-S148 PolarHBondContact N-OG 3.39Å; F144-S148 PolarHBondContact O-N 3.46Å
145M97.1Very high98.1Very high39 Ų3939.4 Ų39.419%0.19219%0.191CC..THydrogen-bonded Turntrans52.718.8-179.6-63.5-179.881.700114.2T51 H71 Y97 Q122 C147T51-M145 HydrophobicContact CG2-CE 4.19Å; T51-M145 HydrophobicContact CG2-SD 3.74Å; H71-M145 HydrophobicContact CB-CB 4.35Å; H71-M145 HydrophobicContact CB-SD 3.92Å; Y97-M145 HydrophobicContact CD1-CE 4.33Å; Y97-M145 HydrophobicContact CD2-CE 3.38Å; Y97-M145 HydrophobicContact CE2-CE 4.01Å; Y97-M145 HydrophobicContact CG-CE 3.55Å; Q122-M145 PolarHBondContact NE2-O 3.04Å; M145-C147 PolarHBondContact O-N 3.2Å
146G95.9Very high98.1Very high8 Ų834.8 Ų34.88%0.08217%0.171CC..THydrogen-bonded Turntrans66.319.7-172.400000114.4F144 L156F144-G146 PolarHBondContact O-N 2.99Å; G146-L156 WeakPolarHBondContact O-CD2 3.32Å; G146-L156 VanDerWaalsContact O-CG 3.23Å; G146-L156 WeakPolarHBondContact O-CG 3.36Å
147C98.5Very high98.1Very high0 Ų035 Ų350%017%0.173CC..THydrogen-bonded Turntrans-119.8-59.6-177.6-65.10000113.2H71 P95 F144 M145 T149 T154H71-C147 HydrophobicContact CB-CB 4.06Å; P95-C147 HydrophobicContact CB-CB 4.14Å; F144-C147 PolarHBondContact O-N 3.35Å; M145-C147 PolarHBondContact O-N 3.2Å; C147-T149 HydrophobicContact CB-CG2 4.09Å; C147-T154 PolarHBondContact O-OG1 3.2Å
148S98.8Very high98.1Very high0 Ų028.1 Ų28.10%015%0.148CC..  trans51.254.8-179.6-71.10000114.9I68 L69 G70 H143 F144 F150I68-S148 WeakPolarHBondContact O-CA 3.43Å; I68-S148 WeakPolarHBondContact O-CB 3.23Å; I68-S148 PolarHBondContact O-OG 3.31Å; L69-S148 CarbonylContact O-C 3.53Å; L69-S148 WeakPolarHBondContact O-CA 3.35Å; G70-S148 WeakPolarHBondContact O-CA 3.49Å; G70-S148 PolarHBondContact O-N 3.29Å; G70-S148 VanDerWaalsContact O-N 3.07Å; H143-S148 VanDerWaalsContact CA-OG 3.26Å; H143-S148 WeakPolarHBondContact CA-OG 3.37Å; F144-S148 PolarHBondContact N-OG 3.39Å; F144-S148 PolarHBondContact O-N 3.46Å; S148-F150 VanDerWaalsContact C-N 3.33Å; S148-F150 PolarHBondContact O-N 3.05Å
149T98.8Very high98.3Very high0 Ų025.6 Ų25.60%011%0.114CC..  trans-83.90.4-171.559.20000114.8I43 S46 L69 G70 H71 P95 C147 S151I43-T149 HydrophobicContact CD1-CG2 4.34Å; S46-T149 PolarHBondContact OG-OG1 2.73Å; L69-T149 PolarHBondContact O-N 3.01Å; G70-T149 VanDerWaalsContact CA-OG1 3.32Å; G70-T149 WeakPolarHBondContact CA-OG1 3.41Å; G70-T149 PolarHBondContact O-N 3.1Å; G70-T149 PolarHBondContact O-OG1 2.79Å; H71-T149 PolarHBondContact N-OG1 3.28Å; H71-T149 VanDerWaalsContact N-OG1 3.08Å; P95-T149 HydrophobicContact CB-CG2 4.07Å; P95-T149 HydrophobicContact CG-CG2 3.89Å; C147-T149 HydrophobicContact CB-CG2 4.09Å; T149-S151 PolarHBondContact O-N 3.5Å; T149-S151 VanDerWaalsContact O-N 3.15Å
150F98.8Very high98.4Very high0 Ų017.4 Ų17.40%08%0.084CC..SBendtrans-8439168.9-59.4-20.2000112.9A14 A15 L24 S46 G47 V48 D52 I68 L69 S148 I359 F363A14-F150 CarbonylContact C-O 3.57Å; A14-F150 WeakPolarHBondContact CA-O 3.4Å; A15-F150 HydrophobicContact CB-CB 4.19Å; A15-F150 PolarHBondContact N-O 2.79Å; L24-F150 HydrophobicContact CD1-CD2 4.39Å; S46-F150 WeakPolarHBondContact OG-CE1 3.49Å; G47-F150 WeakPolarHBondContact O-CE1 3.46Å; V48-F150 HydrophobicContact CB-CZ 4.41Å; V48-F150 HydrophobicContact CG2-CE1 4.09Å; V48-F150 HydrophobicContact CG2-CZ 3.86Å; D52-F150 HydrophobicContact CB-CE2 4.17Å; D52-F150 HydrophobicContact CB-CZ 4.28Å; I68-F150 HydrophobicContact CG2-CB 4.26Å; L69-F150 VanDerWaalsContact C-CD2 3.47Å; L69-F150 HydrophobicContact CB-CD2 3.63Å; L69-F150 HydrophobicContact CB-CE2 3.71Å; L69-F150 WeakPolarHBondContact O-CB 3.49Å; L69-F150 PolarHBondContact O-N 2.8Å; S148-F150 VanDerWaalsContact C-N 3.33Å; S148-F150 PolarHBondContact O-N 3.05Å; F150-I359 HydrophobicContact CB-CD1 4.1Å; F150-I359 HydrophobicContact CD1-CD1 3.82Å; F150-I359 HydrophobicContact CD2-CD1 3.58Å; F150-I359 HydrophobicContact CE1-CD1 4.11Å; F150-I359 HydrophobicContact CE2-CD1 3.93Å; F150-I359 HydrophobicContact CG-CD1 3.57Å; F150-I359 HydrophobicContact CZ-CD1 4.19Å; F150-F363 AromaticContact CE2-CE2 3.97Å; F150-F363 HydrophobicContact CE2-CE2 3.97Å; F150-F363 AromaticContact CE2-CZ 3.82Å; F150-F363 HydrophobicContact CE2-CZ 3.82Å; F150-F363 HydrophobicContact CZ-CE2 4.44Å; F150-F363 HydrophobicContact CZ-CZ 4.32Å
151S98.8Very high98.4Very high0 Ų011.7 Ų11.70%06%0.057CC..BIsolated β-bridgetrans-140.1146.4173.4-176.60000110K13 I43 T149 Y153K13-S151 PolarHBondContact O-OG 2.89Å; I43-S151 WeakPolarHBondContact CB-O 3.33Å; T149-S151 PolarHBondContact O-N 3.5Å; T149-S151 VanDerWaalsContact O-N 3.15Å; S151-Y153 WeakPolarHBondContact CB-O 3.45Å; S151-Y153 PolarHBondContact O-N 3.37Å; S151-Y153 PolarHBondContact OG-N 3.49Å; S151-Y153 PolarHBondContact OG-O 3.35Å
152E98.8Very high98.4Very high36 Ų3611.7 Ų11.717%0.1686%0.057CC..SBendtrans-57.7-30.7173.6-73.9-178.2129.900112.4C12 K13 K42 I43 L378 F379C12-E152 HydrophobicContact CB-CB 3.89Å; C12-E152 WeakPolarHBondContact CB-OE2 3.4Å; K13-E152 HydrophobicContact CB-CG 4.32Å; K13-E152 PolarHBondContact N-OE2 3.27Å; K13-E152 PolarHBondContact O-N 3.37Å; K42-E152 CarbonylContact C-O 3.56Å; K42-E152 WeakPolarHBondContact CA-O 3.44Å; I43-E152 PolarHBondContact N-O 3.32Å; E152-L378 HydrophobicContact CG-CB 4.25Å; E152-F379 HydrophobicContact CB-CE1 4Å; E152-F379 HydrophobicContact CB-CZ 3.68Å; E152-F379 HydrophobicContact CG-CD1 4.35Å; E152-F379 HydrophobicContact CG-CE1 3.72Å; E152-F379 HydrophobicContact CG-CZ 3.8Å; E152-F379 VanDerWaalsContact OE1-CD1 3.23Å; E152-F379 WeakPolarHBondContact OE1-CD1 3.23Å; E152-F379 WeakPolarHBondContact OE1-CE1 3.18Å
153Y98.8Very high98.4Very high39 Ų3914.6 Ų14.615%0.1537%0.069CC..EExtended strand (participates in β ladder)trans-134.4140.9173.3-67-96000111.4I10 C12 I41 K42 E78 F134 S151 F379I10-Y153 HydrophobicContact CD1-CD1 3.87Å; I10-Y153 HydrophobicContact CD1-CE1 3.88Å; I10-Y153 HydrophobicContact CD1-CG 4.23Å; I10-Y153 HydrophobicContact CG2-CD2 3.73Å; I10-Y153 HydrophobicContact CG2-CE2 3.94Å; I10-Y153 HydrophobicContact CG2-CG 4.18Å; C12-Y153 HydrophobicContact CB-CD2 3.79Å; C12-Y153 HydrophobicContact CB-CE2 4.38Å; I41-Y153 VanDerWaalsContact O-CA 3.23Å; I41-Y153 WeakPolarHBondContact O-CA 3.28Å; K42-Y153 HydrophobicContact CB-CD1 3.98Å; K42-Y153 HydrophobicContact CB-CE1 3.54Å; K42-Y153 HydrophobicContact CD-CE1 4.21Å; K42-Y153 HydrophobicContact CG-CD1 4.4Å; K42-Y153 HydrophobicContact CG-CE1 3.78Å; K42-Y153 HydrophobicContact CG-CE2 4.39Å; E78-Y153 HydrophobicContact CB-CD1 4.47Å; E78-Y153 HydrophobicContact CB-CE1 4.17Å; E78-Y153 HydrophobicContact CG-CE1 4Å; F134-Y153 WeakPolarHBondContact CE1-O 3.27Å; S151-Y153 WeakPolarHBondContact CB-O 3.45Å; S151-Y153 PolarHBondContact O-N 3.37Å; S151-Y153 PolarHBondContact OG-N 3.49Å; S151-Y153 PolarHBondContact OG-O 3.35Å; Y153-F379 HydrophobicContact CE2-CZ 4.49Å
154T98.8Very high98.4Very high0 Ų015 Ų150%07%0.071CC..EExtended strand (participates in β ladder)trans-137.7162.7174-177.70000110.5R40 I41 I43 C147 L156R40-T154 CarbonylContact C-O 3.57Å; R40-T154 WeakPolarHBondContact CA-O 3.33Å; I41-T154 PolarHBondContact N-O 3.47Å; I41-T154 PolarHBondContact O-N 2.71Å; I43-T154 HydrophobicContact CD1-CG2 3.79Å; I43-T154 HydrophobicContact CG1-CG2 3.67Å; C147-T154 PolarHBondContact O-OG1 3.2Å; T154-L156 HydrophobicContact CG2-CD1 3.43Å; T154-L156 VanDerWaalsContact CG2-CD1 3.43Å
155V98.7Very high98.4Very high0 Ų017.5 Ų17.50%09%0.085CC..EExtended strand (participates in β ladder)trans-124.4128.4177.5-178.90000109V31 A32 P34 E38 V39 R40 M127 R133 H143V31-V155 HydrophobicContact CG1-CG2 3.85Å; A32-V155 WeakPolarHBondContact O-CG2 3.44Å; P34-V155 HydrophobicContact CB-CG1 4.25Å; E38-V155 HydrophobicContact CB-CG1 3.9Å; V39-V155 WeakPolarHBondContact O-CA 3.32Å; R40-V155 HydrophobicContact CB-CG2 3.98Å; R40-V155 HydrophobicContact CG-CG2 3.85Å; M127-V155 HydrophobicContact CE-CG1 3.99Å; R133-V155 HydrophobicContact CB-CB 3.93Å; R133-V155 HydrophobicContact CB-CG2 4.04Å; R133-V155 HydrophobicContact CG-CB 3.77Å; R133-V155 HydrophobicContact CG-CG1 3.84Å; R133-V155 HydrophobicContact CG-CG2 4.19Å; H143-V155 PolarHBondContact CE1-O 2.98Å
156L98.2Very high98.5Very high0 Ų021.1 Ų21.10%010%0.1CC..EExtended strand (participates in β ladder)trans-132.9156.8-179.6-56.678.8000110.7E38 V39 I41 P95 G146 T154 L161E38-L156 CarbonylContact C-O 3.59Å; E38-L156 WeakPolarHBondContact CA-O 3.28Å; V39-L156 PolarHBondContact N-O 3.39Å; V39-L156 PolarHBondContact O-N 2.91Å; I41-L156 HydrophobicContact CD1-CD1 3.62Å; I41-L156 HydrophobicContact CG1-CD1 4.43Å; P95-L156 HydrophobicContact CB-CD2 3.68Å; P95-L156 HydrophobicContact CG-CD2 4.16Å; G146-L156 WeakPolarHBondContact O-CD2 3.32Å; G146-L156 VanDerWaalsContact O-CG 3.23Å; G146-L156 WeakPolarHBondContact O-CG 3.36Å; T154-L156 HydrophobicContact CG2-CD1 3.43Å; T154-L156 VanDerWaalsContact CG2-CD1 3.43Å; L156-L161 HydrophobicContact CD2-CD2 4.25Å
157P98.2Very high98.5Very high8 Ų827.2 Ų27.25%0.05213%0.131CC..EExtended strand (participates in β ladder)trans-60.5142.6165.2-21.936.4000110.8I118 M127 P128 I159 S160I118-P157 HydrophobicContact CD1-CB 4.45Å; I118-P157 HydrophobicContact CD1-CG 3.95Å; M127-P157 HydrophobicContact CE-CG 4.11Å; P128-P157 HydrophobicContact CG-CB 4.08Å; P128-P157 HydrophobicContact CG-CG 3.52Å; P157-I159 HydrophobicContact CB-CG1 4Å; P157-I159 PolarHBondContact O-N 3.12Å; P157-I159 VanDerWaalsContact O-N 3.09Å; P157-S160 WeakPolarHBondContact O-CB 3.2Å; P157-S160 PolarHBondContact O-N 2.74Å
158E98.3Very high98.5Very high28 Ų2827.3 Ų27.313%0.13113%0.132CC..G310 helixtrans-51.6-36.7177.9177.5-175.3-152.600112.9G37 V39 V84 S85 S86 S160 L161G37-E158 WeakPolarHBondContact O-CB 3.36Å; G37-E158 PolarHBondContact O-N 2.96Å; V39-E158 HydrophobicContact CG2-CB 4.31Å; V84-E158 HydrophobicContact CG1-CB 4.48Å; V84-E158 HydrophobicContact CG1-CG 4.07Å; V84-E158 HydrophobicContact CG2-CB 4.17Å; S85-E158 PolarHBondContact N-OE1 3.01Å; S86-E158 VanDerWaalsContact CB-OE1 3.23Å; S86-E158 WeakPolarHBondContact CB-OE1 3.5Å; S86-E158 PolarHBondContact N-OE1 3.28Å; S86-E158 WeakPolarHBondContact OG-CG 3.35Å; S86-E158 PolarHBondContact OG-OE1 3.15Å; E158-S160 PolarHBondContact O-N 2.94Å; E158-S160 VanDerWaalsContact O-N 3.13Å; E158-L161 PolarHBondContact O-N 2.96Å
159I98.3Very high98.4Very high29 Ų2929 Ų2915%0.14914%0.142CC..G310 helixtrans-68.7-7.9179.564.7168.1000113.8P99 Q100 C101 K117 I118 P157 R329P99-I159 CarbonylContact C-O 3.48Å; P99-I159 VanDerWaalsContact CA-O 3.3Å; P99-I159 WeakPolarHBondContact CA-O 3.2Å; P99-I159 HydrophobicContact CB-CB 4.45Å; P99-I159 HydrophobicContact CB-CD1 3.93Å; P99-I159 HydrophobicContact CB-CG1 3.93Å; P99-I159 WeakPolarHBondContact CB-O 3.15Å; Q100-I159 PolarHBondContact N-O 3.02Å; C101-I159 HydrophobicContact CB-CB 4.47Å; C101-I159 HydrophobicContact CB-CD1 4.05Å; C101-I159 HydrophobicContact CB-CG2 4.1Å; K117-I159 HydrophobicContact CB-CD1 3.98Å; K117-I159 HydrophobicContact CG-CD1 3.87Å; I118-I159 HydrophobicContact CD1-CD1 4.45Å; I118-I159 HydrophobicContact CG1-CD1 4.39Å; I118-I159 HydrophobicContact CG2-CD1 3.91Å; P157-I159 HydrophobicContact CB-CG1 4Å; P157-I159 PolarHBondContact O-N 3.12Å; P157-I159 VanDerWaalsContact O-N 3.09Å; I159-R329 WeakPolarHBondContact O-CD 3.27Å
160S98.6Very high98.4Very high0 Ų029.9 Ų29.90%015%0.147CC..G310 helixtrans-103.223.5177.1-60.60000111.9L96 P157 E158L96-S160 WeakPolarHBondContact CB-O 3.22Å; L96-S160 PolarHBondContact N-O 2.97Å; L96-S160 WeakPolarHBondContact O-CB 3.49Å; P157-S160 WeakPolarHBondContact O-CB 3.2Å; P157-S160 PolarHBondContact O-N 2.74Å; E158-S160 PolarHBondContact O-N 2.94Å; E158-S160 VanDerWaalsContact O-N 3.13Å
161L98.6Very high98.3Very high1 Ų133 Ų331%0.00516%0.164CC..EExtended strand (participates in β ladder)trans-130.1129.5179.2-67.5170.7000114.2V39 I41 V93 P95 L156 E158 R329V39-L161 HydrophobicContact CB-CD1 3.51Å; V39-L161 HydrophobicContact CG1-CD1 3.64Å; V39-L161 HydrophobicContact CG2-CD1 3.81Å; I41-L161 HydrophobicContact CD1-CD1 3.79Å; I41-L161 HydrophobicContact CD1-CD2 3.18Å; I41-L161 HydrophobicContact CD1-CG 4.09Å; I41-L161 HydrophobicContact CG1-CD1 4.41Å; I41-L161 HydrophobicContact CG1-CD2 4.47Å; V93-L161 HydrophobicContact CB-CD2 4.2Å; V93-L161 HydrophobicContact CG2-CD2 4.22Å; P95-L161 HydrophobicContact CG-CD2 4.45Å; L156-L161 HydrophobicContact CD2-CD2 4.25Å; E158-L161 PolarHBondContact O-N 2.96Å; L161-R329 WeakPolarHBondContact O-CG 3.36Å; L161-R329 PolarHBondContact O-NE 2.77Å
162A98.7Very high98.2Very high1 Ų135.2 Ų35.21%0.00817%0.173CC..EExtended strand (participates in β ladder)trans-96121.4164.900000109.4V93 I94 L96 I164 V332 P333V93-A162 CarbonylContact C-O 3.12Å; V93-A162 WeakPolarHBondContact CA-O 3.49Å; I94-A162 PolarHBondContact N-O 3.3Å; I94-A162 PolarHBondContact O-N 2.83Å; L96-A162 HydrophobicContact CD1-CB 3.93Å; L96-A162 HydrophobicContact CD2-CB 4.07Å; L96-A162 HydrophobicContact CG-CB 4.26Å; A162-I164 HydrophobicContact CB-CG2 4.49Å; A162-V332 HydrophobicContact CB-CB 3.8Å; A162-V332 HydrophobicContact CB-CG1 3.77Å; A162-P333 HydrophobicContact CB-CG 4.14Å
163K98.8Very high98.2Very high100 Ų10033.5 Ų33.544%0.43517%0.165SC..EExtended strand (participates in β ladder)trans-78128.3168179.2173.7175.2158.70109.4V87 D91 P333V87-K163 HydrophobicContact CG1-CB 4.08Å; D91-K163 HydrophobicContact CB-CD 4.45Å; D91-K163 HydrophobicContact CB-CG 4.47Å; D91-K163 VanDerWaalsContact CG-CE 3.4Å; D91-K163 VanDerWaalsContact OD1-CE 3.3Å; D91-K163 WeakPolarHBondContact OD1-CE 3.27Å; D91-K163 IonicContact OD1-NZ 2.69Å; D91-K163 PolarHBondContact OD1-NZ 3.16Å; D91-K163 WeakPolarHBondContact OD2-CD 3.3Å; D91-K163 VanDerWaalsContact OD2-CE 3.27Å; D91-K163 WeakPolarHBondContact OD2-CE 3.49Å; D91-K163 IonicContact OD2-NZ 3.06Å; D91-K163 PolarHBondContact OD2-NZ 3.47Å; K163-P333 WeakPolarHBondContact O-CB 3.47Å; K163-P333 WeakPolarHBondContact O-CG 3.46Å
164I98.8Very high98.1Very high11 Ų1131.7 Ų31.76%0.05616%0.158CC..  trans-122.2171.6-173.262.7162.7000111.6H92 I94 A162 K166 A168 L170 V173 V336H92-I164 HydrophobicContact CB-CD1 4.32Å; H92-I164 HydrophobicContact CB-CG1 3.8Å; H92-I164 WeakPolarHBondContact O-CG1 3.16Å; H92-I164 PolarHBondContact O-N 3.11Å; I94-I164 HydrophobicContact CD1-CD1 4.15Å; I94-I164 HydrophobicContact CD1-CG2 4Å; I94-I164 HydrophobicContact CG1-CD1 4.03Å; I94-I164 HydrophobicContact CG1-CG2 4.22Å; A162-I164 HydrophobicContact CB-CG2 4.49Å; I164-K166 PolarHBondContact O-N 3.22Å; I164-A168 HydrophobicContact CD1-CB 4.02Å; I164-L170 HydrophobicContact CD1-CD2 4.15Å; I164-V173 HydrophobicContact CD1-CG2 3.69Å; I164-V336 HydrophobicContact CB-CG1 4.38Å; I164-V336 HydrophobicContact CB-CG2 4.17Å; I164-V336 HydrophobicContact CG2-CG2 3.82Å
165D98.3Very high98.1Very high67 Ų6731.7 Ų31.736%0.35816%0.158SC..  trans-57.6134.4174.4-167.7-55.1000110.9N167 A168 V336 L340D165-N167 PolarHBondContact O-N 2.93Å; D165-N167 WeakPolarHBondContact OD1-CA 3.29Å; D165-N167 VanDerWaalsContact OD1-CB 3.27Å; D165-N167 WeakPolarHBondContact OD1-CB 3.31Å; D165-N167 PolarHBondContact OD1-N 3.44Å; D165-N167 PolarHBondContact OD1-ND2 3.4Å; D165-A168 HydrophobicContact CB-CB 4.39Å; D165-A168 WeakPolarHBondContact O-CB 3.43Å; D165-A168 PolarHBondContact O-N 3.09Å; D165-A168 VanDerWaalsContact O-N 3.13Å; D165-V336 HydrophobicContact CB-CG1 4.5Å; D165-L340 HydrophobicContact CB-CD1 3.84Å
166K98Very high98.1Very high116 Ų11631.8 Ų31.850%0.50416%0.159SC..THydrogen-bonded Turntrans-69.9-20.4-178.7-70.3-172.5174.7-173.40113.6G90 D91 H92 I164 A168G90-K166 WeakPolarHBondContact O-CE 3.33Å; D91-K166 IonicContact OD1-NZ 2.8Å; H92-K166 PolarHBondContact CE1-O 2.86Å; H92-K166 PolarHBondContact ND1-O 2.96Å; H92-K166 VanDerWaalsContact ND1-O 3.15Å; I164-K166 PolarHBondContact O-N 3.22Å; K166-A168 VanDerWaalsContact C-N 3.28Å
167N97.1Very high98.1Very high135 Ų13531.8 Ų31.872%0.72216%0.159SC*.THydrogen-bonded Turntrans-84.2-7.2175.2-53.4-60.9000112.1D165D165-N167 PolarHBondContact O-N 2.93Å; D165-N167 WeakPolarHBondContact OD1-CA 3.29Å; D165-N167 VanDerWaalsContact OD1-CB 3.27Å; D165-N167 WeakPolarHBondContact OD1-CB 3.31Å; D165-N167 PolarHBondContact OD1-N 3.44Å; D165-N167 PolarHBondContact OD1-ND2 3.4Å
168A98.1Very high98.1Very high3 Ų331.9 Ų31.93%0.02516%0.159CC..SBendtrans-65.6129.3179.900000111.1I164 D165 K166 L170 V173 V336 L340I164-A168 HydrophobicContact CD1-CB 4.02Å; D165-A168 HydrophobicContact CB-CB 4.39Å; D165-A168 WeakPolarHBondContact O-CB 3.43Å; D165-A168 PolarHBondContact O-N 3.09Å; D165-A168 VanDerWaalsContact O-N 3.13Å; K166-A168 VanDerWaalsContact C-N 3.28Å; A168-L170 PolarHBondContact O-N 3.13Å; A168-V173 HydrophobicContact CB-CG1 4.18Å; A168-V173 HydrophobicContact CB-CG2 4.35Å; A168-V336 HydrophobicContact CB-CG1 3.6Å; A168-L340 HydrophobicContact CB-CD1 4.44Å
169P97.8Very high98Very high34 Ų3430.6 Ų30.622%0.22115%0.154CC..  trans-69.5103.7-17826.8-33.6000111N171 K172 V173 Y339P169-N171 WeakPolarHBondContact CB-OD1 3.44Å; P169-N171 PolarHBondContact O-N 2.9Å; P169-K172 HydrophobicContact CB-CD 4.16Å; P169-K172 HydrophobicContact CB-CG 4.37Å; P169-K172 HydrophobicContact CG-CB 4.33Å; P169-K172 HydrophobicContact CG-CD 3.9Å; P169-K172 HydrophobicContact CG-CG 4.4Å; P169-K172 PolarHBondContact O-N 2.98Å; P169-V173 HydrophobicContact CG-CG1 4.33Å; P169-V173 WeakPolarHBondContact O-CG2 3.36Å; P169-V173 PolarHBondContact O-N 3.29Å; P169-V173 VanDerWaalsContact O-N 3.15Å; P169-Y339 HydrophobicContact CG-CE1 3.6Å
170L98Very high98Very high20 Ų2029.3 Ų29.311%0.10515%0.147CC..THydrogen-bonded Turntrans-61.4-14.9-177.8-61.7-177.6000113.8Y44 S45 A74 V76 H92 I164 A168 K172 V173Y44-L170 HydrophobicContact CD2-CD1 3.8Å; Y44-L170 HydrophobicContact CE2-CD1 4.34Å; Y44-L170 HydrophobicContact CG-CD1 4.18Å; S45-L170 PolarHBondContact OG-O 3.35Å; A74-L170 HydrophobicContact CB-CB 4.35Å; A74-L170 HydrophobicContact CB-CD2 3.98Å; V76-L170 HydrophobicContact CG2-CD1 3.64Å; H92-L170 HydrophobicContact CB-CD2 4.19Å; I164-L170 HydrophobicContact CD1-CD2 4.15Å; A168-L170 PolarHBondContact O-N 3.13Å; L170-K172 PolarHBondContact O-N 2.61Å; L170-V173 HydrophobicContact CD2-CG2 4.39Å
171N96.2Very high98Very high64 Ų6429.3 Ų29.334%0.34215%0.147SC..THydrogen-bonded Turntrans-81.86.817367.3-30.4000114.2S45 P169S45-N171 VanDerWaalsContact OG-CA 3.31Å; S45-N171 WeakPolarHBondContact OG-CA 3.31Å; P169-N171 WeakPolarHBondContact CB-OD1 3.44Å; P169-N171 PolarHBondContact O-N 2.9Å
172K97.1Very high98Very high48 Ų4829.8 Ų29.821%0.20915%0.15CC..THydrogen-bonded Turntrans-139.7-47.7-176.4-56.3-179.9176-178.30113.2P169 L170 G174 L175 Y339 V346 D347 I350P169-K172 HydrophobicContact CB-CD 4.16Å; P169-K172 HydrophobicContact CB-CG 4.37Å; P169-K172 HydrophobicContact CG-CB 4.33Å; P169-K172 HydrophobicContact CG-CD 3.9Å; P169-K172 HydrophobicContact CG-CG 4.4Å; P169-K172 PolarHBondContact O-N 2.98Å; L170-K172 PolarHBondContact O-N 2.61Å; K172-G174 PolarHBondContact O-N 3.41Å; K172-G174 VanDerWaalsContact O-N 3.08Å; K172-L175 WeakPolarHBondContact O-CG 3.43Å; K172-L175 PolarHBondContact O-N 2.94Å; K172-L175 VanDerWaalsContact O-N 3.15Å; K172-Y339 WeakPolarHBondContact CD-OH 3.44Å; K172-Y339 PolarHBondContact NZ-OH 3.41Å; K172-V346 HydrophobicContact CB-CG1 4.17Å; K172-D347 VanDerWaalsContact CD-OD1 3.25Å; K172-D347 WeakPolarHBondContact CD-OD1 3.39Å; K172-D347 IonicContact NZ-OD1 2.79Å; K172-D347 PolarHBondContact NZ-OD1 3.38Å; K172-D347 IonicContact NZ-OD2 2.74Å; K172-D347 PolarHBondContact NZ-OD2 3.09Å; K172-I350 HydrophobicContact CB-CD1 3.89Å; K172-I350 HydrophobicContact CG-CD1 3.72Å
173V98.3Very high98Very high0 Ų029.8 Ų29.80%015%0.15CC..G310 helixtrans-68.3-14.6-167.1-63.70000114.1A74 I94 I164 A168 P169 L170 L175 L176 V336 Y339A74-V173 HydrophobicContact CB-CG2 3.96Å; I94-V173 HydrophobicContact CD1-CB 4.22Å; I94-V173 HydrophobicContact CD1-CG2 4.26Å; I94-V173 WeakPolarHBondContact CD1-O 3.35Å; I164-V173 HydrophobicContact CD1-CG2 3.69Å; A168-V173 HydrophobicContact CB-CG1 4.18Å; A168-V173 HydrophobicContact CB-CG2 4.35Å; P169-V173 HydrophobicContact CG-CG1 4.33Å; P169-V173 WeakPolarHBondContact O-CG2 3.36Å; P169-V173 PolarHBondContact O-N 3.29Å; P169-V173 VanDerWaalsContact O-N 3.15Å; L170-V173 HydrophobicContact CD2-CG2 4.39Å; V173-L175 PolarHBondContact O-N 3.4Å; V173-L175 VanDerWaalsContact O-N 3.15Å; V173-L176 HydrophobicContact CB-CD1 4.49Å; V173-L176 WeakPolarHBondContact O-CB 3.1Å; V173-L176 PolarHBondContact O-N 2.92Å; V173-V336 HydrophobicContact CB-CG2 4.38Å; V173-Y339 HydrophobicContact CG1-CD1 3.76Å; V173-Y339 HydrophobicContact CG1-CE1 3.84Å
174G98Very high98Very high0 Ų025.7 Ų25.70%013%0.132CC..G310 helixtrans-56.9-26.2171.500000113.7E72 G73 K172 L176 G177E72-G174 CarbonylContact C-O 3.56Å; E72-G174 CarbonylContact O-C 3.4Å; G73-G174 VanDerWaalsContact O-CA 3.27Å; G73-G174 WeakPolarHBondContact O-CA 3.38Å; K172-G174 PolarHBondContact O-N 3.41Å; K172-G174 VanDerWaalsContact O-N 3.08Å; G174-L176 PolarHBondContact O-N 2.93Å; G174-G177 WeakPolarHBondContact O-CA 3.49Å; G174-G177 PolarHBondContact O-N 2.89Å
175L98.2Very high98Very high1 Ų125.1 Ų25.11%0.00513%0.129CC..G310 helixtrans-64.9-21.3174.4-62.7-172.8000113.7E72 K172 V173 G177 C178 I180 V346 F349 I350 R373 M375E72-L175 WeakPolarHBondContact OE2-CD2 3.43Å; K172-L175 WeakPolarHBondContact O-CG 3.43Å; K172-L175 PolarHBondContact O-N 2.94Å; K172-L175 VanDerWaalsContact O-N 3.15Å; V173-L175 PolarHBondContact O-N 3.4Å; V173-L175 VanDerWaalsContact O-N 3.15Å; L175-G177 PolarHBondContact O-N 3.22Å; L175-C178 PolarHBondContact O-N 3.44Å; L175-I180 HydrophobicContact CB-CD1 3.69Å; L175-I180 HydrophobicContact CB-CG1 4.33Å; L175-I180 HydrophobicContact CD1-CD1 4.18Å; L175-V346 HydrophobicContact CB-CG1 4.39Å; L175-V346 HydrophobicContact CD1-CG1 4.33Å; L175-F349 HydrophobicContact CD1-CB 4.18Å; L175-I350 HydrophobicContact CD1-CD1 4.14Å; L175-I350 HydrophobicContact CD1-CG1 3.51Å; L175-R373 HydrophobicContact CD1-CB 4.07Å; L175-R373 HydrophobicContact CD1-CG 4.23Å; L175-R373 HydrophobicContact CD2-CB 4.14Å; L175-R373 HydrophobicContact CD2-CG 4.07Å; L175-M375 HydrophobicContact CD1-SD 4.2Å; L175-M375 HydrophobicContact CD2-SD 3.57Å; L175-M375 VanDerWaalsContact CD2-SD 3.57Å; L175-M375 HydrophobicContact CG-SD 3.8Å
176L98.5Very high98Very high1 Ų122 Ų221%0.00511%0.112CC..G310 helixtrans-74.8-6.1172.1-60.8172000112.2I94 V173 G174 C178 I180 S181 L335 V336 I344 V346I94-L176 HydrophobicContact CD1-CB 4.44Å; V173-L176 HydrophobicContact CB-CD1 4.49Å; V173-L176 WeakPolarHBondContact O-CB 3.1Å; V173-L176 PolarHBondContact O-N 2.92Å; G174-L176 PolarHBondContact O-N 2.93Å; L176-C178 VanDerWaalsContact C-N 3.31Å; L176-I180 HydrophobicContact CD2-CB 4.21Å; L176-I180 HydrophobicContact CD2-CG2 3.9Å; L176-S181 VanDerWaalsContact C-OG 3.29Å; L176-S181 WeakPolarHBondContact CA-OG 3.45Å; L176-S181 WeakPolarHBondContact O-CB 3.39Å; L176-S181 PolarHBondContact O-OG 2.81Å; L176-L335 HydrophobicContact CD1-CB 4.37Å; L176-L335 HydrophobicContact CD2-CB 4.41Å; L176-V336 HydrophobicContact CD1-CB 4.41Å; L176-V336 HydrophobicContact CD1-CG2 3.7Å; L176-I344 HydrophobicContact CD2-CG2 4.43Å; L176-V346 HydrophobicContact CD1-CG2 4.44Å; L176-V346 HydrophobicContact CD2-CG2 3.96Å; L176-V346 HydrophobicContact CG-CG2 4.24Å
177G98.1Very high98Very high0 Ų016.4 Ų16.40%09%0.088CC..G310 helixtrans-76.8-10.4170.500000114.4Y97 G174 L175 F323Y97-G177 WeakPolarHBondContact CD1-O 3.2Å; Y97-G177 VanDerWaalsContact CE1-O 3.26Å; Y97-G177 WeakPolarHBondContact CE1-O 3.44Å; G174-G177 WeakPolarHBondContact O-CA 3.49Å; G174-G177 PolarHBondContact O-N 2.89Å; L175-G177 PolarHBondContact O-N 3.22Å; G177-F323 VanDerWaalsContact C-CE2 3.43Å; G177-F323 WeakPolarHBondContact O-CE2 3.42Å
178C98.1Very high98.1Very high10 Ų1013.1 Ų13.17%0.0687%0.068CC..THydrogen-bonded Turntrans-152.1-95.1179.1-174.30000114.2H71 E72 Y97 L175 L176 I180 S181 T182H71-C178 PolarHBondContact NE2-SG 3.21Å; E72-C178 HydrophobicContact CG-CB 3.58Å; E72-C178 VanDerWaalsContact OE1-CB 3.3Å; E72-C178 WeakPolarHBondContact OE1-CB 3.33Å; Y97-C178 HydrophobicContact CE1-CB 4.13Å; L175-C178 PolarHBondContact O-N 3.44Å; L176-C178 VanDerWaalsContact C-N 3.31Å; C178-I180 PolarHBondContact O-N 2.7Å; C178-S181 PolarHBondContact O-N 2.94Å; C178-T182 WeakPolarHBondContact O-CB 3.34Å; C178-T182 PolarHBondContact O-N 2.92Å; C178-T182 PolarHBondContact O-OG1 3.42Å
179G96.1Very high98.1Very high1 Ų115.7 Ų15.71%0.018%0.081CC..Hα-helixtrans-62.5-44.6-158.800000115.2T182 G183G179-T182 PolarHBondContact O-N 3.32Å; G179-G183 PolarHBondContact O-N 3.49Å; G179-G183 VanDerWaalsContact O-N 3.09Å
180I98.1Very high98.1Very high2 Ų215.3 Ų15.31%0.018%0.078CC..Hα-helixtrans-64.8-52.1-178.7-60.9177.8000109.9L175 L176 C178 T182 G183 Y184 A210 M213 I344 V346 F349L175-I180 HydrophobicContact CB-CD1 3.69Å; L175-I180 HydrophobicContact CB-CG1 4.33Å; L175-I180 HydrophobicContact CD1-CD1 4.18Å; L176-I180 HydrophobicContact CD2-CB 4.21Å; L176-I180 HydrophobicContact CD2-CG2 3.9Å; C178-I180 PolarHBondContact O-N 2.7Å; I180-T182 PolarHBondContact O-N 3.27Å; I180-G183 PolarHBondContact O-N 3.11Å; I180-Y184 VanDerWaalsContact O-CB 3.28Å; I180-Y184 WeakPolarHBondContact O-CB 3.41Å; I180-Y184 PolarHBondContact O-N 3.15Å; I180-A210 HydrophobicContact CG2-CB 4.47Å; I180-A210 WeakPolarHBondContact O-CB 3.43Å; I180-M213 HydrophobicContact CG2-CE 4.09Å; I180-I344 HydrophobicContact CG2-CG2 4.12Å; I180-V346 HydrophobicContact CD1-CB 4.23Å; I180-V346 HydrophobicContact CD1-CG1 3.95Å; I180-V346 HydrophobicContact CD1-CG2 4.09Å; I180-F349 HydrophobicContact CD1-CB 4.15Å; I180-F349 HydrophobicContact CD1-CD1 4.47Å; I180-F349 HydrophobicContact CD1-CD2 3.49Å; I180-F349 VanDerWaalsContact CD1-CD2 3.49Å; I180-F349 HydrophobicContact CD1-CE2 3.92Å; I180-F349 HydrophobicContact CD1-CG 3.79Å; I180-F349 HydrophobicContact CG1-CD1 4.16Å; I180-F349 HydrophobicContact CG1-CD2 3.9Å; I180-F349 HydrophobicContact CG1-CE1 4.24Å; I180-F349 HydrophobicContact CG1-CE2 3.97Å; I180-F349 HydrophobicContact CG1-CG 3.97Å; I180-F349 HydrophobicContact CG1-CZ 4.15Å; I180-F349 HydrophobicContact CG2-CE2 4.3Å
181S98.6Very high98.2Very high1 Ų114.7 Ų14.71%0.0078%0.075CC..Hα-helixtrans-60.1-36.5179.2-55.80000111.8L176 C178 G185 W326 L335L176-S181 VanDerWaalsContact C-OG 3.29Å; L176-S181 WeakPolarHBondContact CA-OG 3.45Å; L176-S181 WeakPolarHBondContact O-CB 3.39Å; L176-S181 PolarHBondContact O-OG 2.81Å; C178-S181 PolarHBondContact O-N 2.94Å; S181-G185 PolarHBondContact O-N 2.96Å; S181-W326 VanDerWaalsContact O-CD1 3.29Å; S181-W326 PolarHBondContact O-NE1 3.26Å; S181-L335 WeakPolarHBondContact OG-CD1 3.43Å
182T98.8Very high98.3Very high11 Ų1118.5 Ų18.57%0.0679%0.089CC..Hα-helixtrans-64.5-54.4178.8-610000111.8C178 G179 I180 A186 I296 F323 G324C178-T182 WeakPolarHBondContact O-CB 3.34Å; C178-T182 PolarHBondContact O-N 2.92Å; C178-T182 PolarHBondContact O-OG1 3.42Å; G179-T182 PolarHBondContact O-N 3.32Å; I180-T182 PolarHBondContact O-N 3.27Å; T182-A186 WeakPolarHBondContact O-CB 3.34Å; T182-A186 PolarHBondContact O-N 3.15Å; T182-I296 HydrophobicContact CG2-CG2 3.44Å; T182-I296 VanDerWaalsContact CG2-CG2 3.44Å; T182-F323 WeakPolarHBondContact OG1-CA 3.23Å; T182-G324 WeakPolarHBondContact O-CA 3.41Å
183G98.6Very high98.4Very high0 Ų017 Ų170%08%0.084CC..Hα-helixtrans-65.2-44179.900000112.4G179 I180 A186 V211G179-G183 PolarHBondContact O-N 3.49Å; G179-G183 VanDerWaalsContact O-N 3.09Å; I180-G183 PolarHBondContact O-N 3.11Å; G183-A186 PolarHBondContact O-N 2.99Å; G183-V211 WeakPolarHBondContact O-CG2 3.36Å
184Y98.6Very high98.4Very high14 Ų1423.3 Ų23.36%0.05511%0.113CC..Hα-helixtrans-63.4-45.7179.2-166-104.6000111.8I180 A186 V187 F188 M213 W326 L335 I344I180-Y184 VanDerWaalsContact O-CB 3.28Å; I180-Y184 WeakPolarHBondContact O-CB 3.41Å; I180-Y184 PolarHBondContact O-N 3.15Å; Y184-A186 PolarHBondContact O-N 3.02Å; Y184-V187 WeakPolarHBondContact O-CB 3.45Å; Y184-V187 PolarHBondContact O-N 3.15Å; Y184-F188 AromaticContact CD1-CD2 3.91Å; Y184-F188 HydrophobicContact CD1-CD2 3.91Å; Y184-F188 HydrophobicContact CD1-CE2 4.06Å; Y184-F188 HydrophobicContact CD2-CE2 4.01Å; Y184-F188 AromaticContact CE1-CD2 3.69Å; Y184-F188 HydrophobicContact CE1-CD2 3.69Å; Y184-F188 AromaticContact CE1-CE2 3.58Å; Y184-F188 HydrophobicContact CE1-CE2 3.58Å; Y184-F188 HydrophobicContact CE2-CD2 4.37Å; Y184-F188 AromaticContact CE2-CE2 3.56Å; Y184-F188 HydrophobicContact CE2-CE2 3.56Å; Y184-F188 HydrophobicContact CE2-CZ 4.43Å; Y184-F188 HydrophobicContact CG-CD2 4.32Å; Y184-F188 HydrophobicContact CG-CE2 4.26Å; Y184-F188 AromaticContact CZ-CD2 3.96Å; Y184-F188 AromaticContact CZ-CE2 3.33Å; Y184-F188 VanDerWaalsContact O-CD2 3.28Å; Y184-F188 WeakPolarHBondContact O-CD2 3.49Å; Y184-F188 PolarHBondContact O-N 3.15Å; Y184-M213 HydrophobicContact CD2-CE 3.67Å; Y184-M213 HydrophobicContact CD2-CG 4.44Å; Y184-M213 HydrophobicContact CE2-CE 4.2Å; Y184-M213 HydrophobicContact CE2-CG 4.4Å; Y184-M213 HydrophobicContact CG-CE 4.4Å; Y184-W326 HydrophobicContact CD1-CZ2 4.14Å; Y184-L335 HydrophobicContact CD1-CD2 4.39Å; Y184-I344 HydrophobicContact CD1-CD1 3.84Å; Y184-I344 HydrophobicContact CE1-CD1 3.62Å; Y184-I344 HydrophobicContact CE1-CG1 4.06Å; Y184-I344 HydrophobicContact CE2-CG1 4.17Å; Y184-I344 HydrophobicContact CG-CD1 4.39Å
185G98.6Very high98.4Very high0 Ų030.6 Ų30.60%015%0.145CC..Hα-helixtrans-69.8-29.817800000113.9S181 V187 F188 N189 T190 G324 W326S181-G185 PolarHBondContact O-N 2.96Å; G185-V187 PolarHBondContact O-N 3.04Å; G185-F188 PolarHBondContact O-N 2.96Å; G185-N189 WeakPolarHBondContact O-CB 3.36Å; G185-N189 PolarHBondContact O-N 3.08Å; G185-T190 PolarHBondContact O-N 3.25Å; G185-G324 CarbonylContact C-O 3.56Å; G185-G324 VanDerWaalsContact CA-O 3.22Å; G185-G324 WeakPolarHBondContact CA-O 3.25Å; G185-G324 VanDerWaalsContact O-O 3.11Å; G185-W326 VanDerWaalsContact CA-NE1 3.32Å
186A98.8Very high98.4Very high0 Ų034.8 Ų34.80%017%0.168CC..Iπ-helixtrans-58.1-34.1174.600000111.6T182 G183 Y184 T190 A191 F270 I296 C321T182-A186 WeakPolarHBondContact O-CB 3.34Å; T182-A186 PolarHBondContact O-N 3.15Å; G183-A186 PolarHBondContact O-N 2.99Å; Y184-A186 PolarHBondContact O-N 3.02Å; A186-T190 WeakPolarHBondContact O-CB 3.39Å; A186-A191 VanDerWaalsContact O-CB 3.3Å; A186-A191 WeakPolarHBondContact O-CB 3.43Å; A186-A191 PolarHBondContact O-N 3.49Å; A186-F270 HydrophobicContact CB-CD1 4.36Å; A186-F270 HydrophobicContact CB-CE1 4.35Å; A186-I296 HydrophobicContact CB-CD1 3.37Å; A186-I296 HydrophobicContact CB-CG1 4.1Å; A186-C321 HydrophobicContact CB-CB 4.23Å
187V98.9Very high98.4Very high0 Ų035.2 Ų35.20%017%0.17CC..Iπ-helixtrans-71.4-54.6175.4174.20000111.4Y184 G185 K192 V193 V211 G214 A218 F270Y184-V187 WeakPolarHBondContact O-CB 3.45Å; Y184-V187 PolarHBondContact O-N 3.15Å; G185-V187 PolarHBondContact O-N 3.04Å; V187-K192 VanDerWaalsContact O-CA 3.28Å; V187-K192 WeakPolarHBondContact O-CA 3.23Å; V187-K192 PolarHBondContact O-N 2.87Å; V187-V193 HydrophobicContact CB-CG2 4.31Å; V187-V193 HydrophobicContact CG1-CB 3.75Å; V187-V193 HydrophobicContact CG1-CG2 3.58Å; V187-V193 PolarHBondContact O-N 2.84Å; V187-V193 VanDerWaalsContact O-N 3.08Å; V187-V211 HydrophobicContact CG2-CB 4.39Å; V187-V211 HydrophobicContact CG2-CG1 3.89Å; V187-V211 WeakPolarHBondContact CG2-O 3.47Å; V187-G214 VanDerWaalsContact CG1-C 3.46Å; V187-A218 HydrophobicContact CG1-CB 4.07Å; V187-F270 HydrophobicContact CG2-CE1 4.18Å; V187-F270 HydrophobicContact CG2-CZ 3.99Å
188F98.4Very high98.5Very high66 Ų6635.5 Ų35.529%0.28917%0.172SC..Iπ-helixtrans-80.8-36.9-171-69.4-72.1000114.5Y184 G185 G214 K217 A218Y184-F188 AromaticContact CD1-CD2 3.91Å; Y184-F188 HydrophobicContact CD1-CD2 3.91Å; Y184-F188 HydrophobicContact CD1-CE2 4.06Å; Y184-F188 HydrophobicContact CD2-CE2 4.01Å; Y184-F188 AromaticContact CE1-CD2 3.69Å; Y184-F188 HydrophobicContact CE1-CD2 3.69Å; Y184-F188 AromaticContact CE1-CE2 3.58Å; Y184-F188 HydrophobicContact CE1-CE2 3.58Å; Y184-F188 HydrophobicContact CE2-CD2 4.37Å; Y184-F188 AromaticContact CE2-CE2 3.56Å; Y184-F188 HydrophobicContact CE2-CE2 3.56Å; Y184-F188 HydrophobicContact CE2-CZ 4.43Å; Y184-F188 HydrophobicContact CG-CD2 4.32Å; Y184-F188 HydrophobicContact CG-CE2 4.26Å; Y184-F188 AromaticContact CZ-CD2 3.96Å; Y184-F188 AromaticContact CZ-CE2 3.33Å; Y184-F188 VanDerWaalsContact O-CD2 3.28Å; Y184-F188 WeakPolarHBondContact O-CD2 3.49Å; Y184-F188 PolarHBondContact O-N 3.15Å; G185-F188 PolarHBondContact O-N 2.96Å; F188-G214 WeakPolarHBondContact CZ-O 3.43Å; F188-K217 HydrophobicContact CE2-CG 4.47Å; F188-K217 HydrophobicContact CZ-CB 3.89Å; F188-K217 HydrophobicContact CZ-CG 3.73Å; F188-A218 HydrophobicContact CE1-CB 3.97Å; F188-A218 HydrophobicContact CZ-CB 4.22Å
189N98.4Very high98.5Very high57 Ų5735 Ų3531%0.30517%0.169SC..Iπ-helixtrans-99.9-41.7-171.5-57.5-39.3000112.1G185 G324 W326G185-N189 WeakPolarHBondContact O-CB 3.36Å; G185-N189 PolarHBondContact O-N 3.08Å; N189-G324 WeakPolarHBondContact CB-O 3.32Å; N189-G324 PolarHBondContact ND2-O 3.19Å; N189-W326 VanDerWaalsContact ND2-CE2 3.26Å; N189-W326 WeakPolarHBondContact ND2-CH2 3.47Å; N189-W326 VanDerWaalsContact ND2-CZ2 3.33Å; N189-W326 WeakPolarHBondContact ND2-CZ2 3.29Å; N189-W326 VanDerWaalsContact ND2-CZ3 3.31Å; N189-W326 WeakPolarHBondContact ND2-CZ3 3.22Å
190T98.4Very high98.7Very high25 Ų2535 Ų3515%0.15317%0.168CC..Iπ-helixtrans-91.4-55.7-173-550000113G185 A186 V294 K319 G320 C321G185-T190 PolarHBondContact O-N 3.25Å; A186-T190 WeakPolarHBondContact O-CB 3.39Å; T190-V294 HydrophobicContact CG2-CG1 3.83Å; T190-V294 HydrophobicContact CG2-CG2 4.31Å; T190-K319 HydrophobicContact CG2-CD 3.78Å; T190-K319 HydrophobicContact CG2-CG 4.12Å; T190-K319 PolarHBondContact O-NZ 3.14Å; T190-G320 WeakPolarHBondContact CG2-O 3.5Å; T190-C321 HydrophobicContact CG2-CB 4.11Å; T190-C321 PolarHBondContact OG1-SG 2.83Å
191A98.7Very high98.7Very high7 Ų734.9 Ų34.96%0.05817%0.168CC..Iπ-helixtrans-75-40.1176.500000111.3A186 V193 Y268 F270 V294A186-A191 VanDerWaalsContact O-CB 3.3Å; A186-A191 WeakPolarHBondContact O-CB 3.43Å; A186-A191 PolarHBondContact O-N 3.49Å; A191-V193 HydrophobicContact CB-CG2 3.89Å; A191-Y268 HydrophobicContact CB-CD1 3.78Å; A191-Y268 HydrophobicContact CB-CE1 4.2Å; A191-Y268 WeakPolarHBondContact O-CE1 3.47Å; A191-F270 HydrophobicContact CB-CE1 3.66Å; A191-F270 HydrophobicContact CB-CZ 3.62Å; A191-V294 HydrophobicContact CB-CG2 3.95Å
192K98.5Very high98.7Very high145 Ų14535 Ų3563%0.6317%0.168SC*.  trans56.155.1-169-56.9-179.3178.6179.80110.5V187 E194 Y268V187-K192 VanDerWaalsContact O-CA 3.28Å; V187-K192 WeakPolarHBondContact O-CA 3.23Å; V187-K192 PolarHBondContact O-N 2.87Å; K192-E194 PolarHBondContact O-N 2.65Å; K192-Y268 PolarHBondContact O-OH 2.85Å
193V98.8Very high98.7Very high15 Ų1534.8 Ų34.89%0.09117%0.168CC..PPolyproline II helixtrans-54.8129.2-178.2176.90000109.9V187 A191 A218 A220 Y268 F270V187-V193 HydrophobicContact CB-CG2 4.31Å; V187-V193 HydrophobicContact CG1-CB 3.75Å; V187-V193 HydrophobicContact CG1-CG2 3.58Å; V187-V193 PolarHBondContact O-N 2.84Å; V187-V193 VanDerWaalsContact O-N 3.08Å; A191-V193 HydrophobicContact CB-CG2 3.89Å; V193-A218 HydrophobicContact CB-CB 4.06Å; V193-A218 HydrophobicContact CG1-CB 4.01Å; V193-A220 HydrophobicContact CG1-CB 4.44Å; V193-Y268 HydrophobicContact CB-CD2 4.31Å; V193-Y268 HydrophobicContact CB-CE2 4.33Å; V193-Y268 HydrophobicContact CG1-CD2 4.06Å; V193-Y268 HydrophobicContact CG1-CE2 4.18Å; V193-Y268 HydrophobicContact CG2-CD1 4.26Å; V193-Y268 HydrophobicContact CG2-CD2 4Å; V193-Y268 HydrophobicContact CG2-CE2 4.41Å; V193-Y268 HydrophobicContact CG2-CG 3.93Å; V193-F270 HydrophobicContact CG2-CE2 4.26Å; V193-F270 HydrophobicContact CG2-CZ 3.7Å
194E98.7Very high98.6Very high133 Ų13334.8 Ų34.862%0.62117%0.168SC*.PPolyproline II helixtrans-89.4160.2178.4-66-179.9-164.500111.4K192 S197K192-E194 PolarHBondContact O-N 2.65Å; E194-S197 WeakPolarHBondContact O-CB 3.39Å; E194-S197 PolarHBondContact O-N 3.43Å; E194-S197 PolarHBondContact O-OG 2.82Å
195K98.7Very high98.4Very high153 Ų15335.4 Ų35.467%0.66518%0.179SC*.THydrogen-bonded Turntrans-60.7147.8173.6-174.1-175.8168.6-1740109.6S197K195-S197 PolarHBondContact O-N 2.83Å
196D98.5Very high98.3Very high90 Ų9035.4 Ų35.448%0.48118%0.179SC..THydrogen-bonded Turntrans65.19.6178.3-57.9-48000113.9G219 R221D196-G219 WeakPolarHBondContact CA-O 3.45Å; D196-G219 PolarHBondContact N-O 3.02Å; D196-R221 WeakPolarHBondContact O-CD 3.35Å; D196-R221 WeakPolarHBondContact O-CG 3.34Å; D196-R221 PolarHBondContact O-NH1 2.92Å
197S98.8Very high98.3Very high9 Ų936.8 Ų36.86%0.06319%0.187CC..  trans-70.5160.5176.4-59.20000114.6E194 K195 A220 R221 D267 Y268E194-S197 WeakPolarHBondContact O-CB 3.39Å; E194-S197 PolarHBondContact O-N 3.43Å; E194-S197 PolarHBondContact O-OG 2.82Å; K195-S197 PolarHBondContact O-N 2.83Å; S197-A220 CarbonylContact O-C 3.42Å; S197-A220 WeakPolarHBondContact O-CA 3.44Å; S197-A220 WeakPolarHBondContact O-CB 3.34Å; S197-R221 PolarHBondContact O-N 2.88Å; S197-D267 VanDerWaalsContact CA-OD2 3.28Å; S197-D267 WeakPolarHBondContact CA-OD2 3.33Å; S197-Y268 WeakPolarHBondContact OG-CE2 3.42Å
198I98.9Very high98.2Very high6 Ų636.8 Ų36.83%0.03119%0.188CC..EExtended strand (participates in β ladder)trans-97.3123.9166.4-55.6-174.1000109.3R221 R222 I224 T262 C266 D267 Y268I198-R221 HydrophobicContact CG1-CG 4.33Å; I198-R222 WeakPolarHBondContact CA-O 3.1Å; I198-R222 HydrophobicContact CB-CB 4.48Å; I198-R222 HydrophobicContact CG1-CB 4.22Å; I198-R222 HydrophobicContact CG2-CB 4.07Å; I198-I224 HydrophobicContact CG2-CD1 4.34Å; I198-T262 HydrophobicContact CD1-CG2 4.36Å; I198-T262 HydrophobicContact CG2-CG2 3.91Å; I198-C266 HydrophobicContact CG2-CB 4.14Å; I198-D267 PolarHBondContact N-OD2 2.97Å; I198-D267 PolarHBondContact O-N 3.43Å; I198-Y268 PolarHBondContact O-N 3.17Å; I198-Y268 VanDerWaalsContact O-N 3.15Å
199C99Very high98.2Very high0 Ų033.7 Ų33.70%017%0.174CC..EExtended strand (participates in β ladder)trans-115.4145.8177.1-61.30000111.5C215 R222 I223 I224 Y268 F270C199-C215 HydrophobicContact CB-CB 4.3Å; C199-C215 VanDerWaalsContact SG-SG 3.63Å; C199-R222 PolarHBondContact N-O 2.96Å; C199-I223 WeakPolarHBondContact O-CA 3.23Å; C199-I224 PolarHBondContact O-N 2.83Å; C199-Y268 CarbonylContact C-O 3.5Å; C199-Y268 VanDerWaalsContact CA-O 3.26Å; C199-Y268 WeakPolarHBondContact CA-O 3.47Å; C199-F270 HydrophobicContact CB-CE2 4.41Å
200A99Very high98.2Very high0 Ų031 Ų310%016%0.159CC..EExtended strand (participates in β ladder)trans-128.5139.416800000111.9W202 I224 I226 C266 Y268 T269 F270A200-W202 HydrophobicContact CB-CE3 4.48Å; A200-W202 HydrophobicContact CB-CH2 3.93Å; A200-W202 HydrophobicContact CB-CZ3 3.56Å; A200-I224 CarbonylContact C-O 3.55Å; A200-I224 WeakPolarHBondContact CA-O 3.21Å; A200-I224 HydrophobicContact CB-CB 4.15Å; A200-I226 HydrophobicContact CB-CD1 3.77Å; A200-C266 HydrophobicContact CB-CB 4.38Å; A200-C266 VanDerWaalsContact CB-SG 3.52Å; A200-Y268 PolarHBondContact N-O 3.29Å; A200-T269 HydrophobicContact CB-CG2 4.19Å; A200-T269 CarbonylContact O-C 3.46Å; A200-T269 VanDerWaalsContact O-CA 3.28Å; A200-T269 WeakPolarHBondContact O-CA 3.25Å; A200-F270 PolarHBondContact O-N 3.17Å
201V99Very high98.3Very high0 Ų029.8 Ų29.80%015%0.152CC..EExtended strand (participates in β ladder)trans-129.5113.4-171.3-172.70000110.3V211 I212 I224 I226 F270V201-V211 HydrophobicContact CG1-CB 4.18Å; V201-V211 HydrophobicContact CG1-CG1 4.14Å; V201-V211 HydrophobicContact CG2-CB 4.35Å; V201-V211 HydrophobicContact CG2-CG1 3.57Å; V201-I212 HydrophobicContact CB-CG1 4.33Å; V201-I212 HydrophobicContact CG2-CG1 3.99Å; V201-I224 PolarHBondContact N-O 3.1Å; V201-I226 PolarHBondContact O-N 2.91Å; V201-F270 WeakPolarHBondContact CA-O 3.21Å; V201-F270 HydrophobicContact CG1-CB 4.46Å; V201-F270 HydrophobicContact CG2-CD2 4.25Å
202W98.8Very high98.3Very high3 Ų329.4 Ų29.41%0.01115%0.149CC..EExtended strand (participates in β ladder)trans-86.9124.8174-77.7-105.7000110.3A200 I226 I258 T269 F270 E271 C272 Q281 A282 S285A200-W202 HydrophobicContact CB-CE3 4.48Å; A200-W202 HydrophobicContact CB-CH2 3.93Å; A200-W202 HydrophobicContact CB-CZ3 3.56Å; W202-I226 HydrophobicContact CD2-CB 4.47Å; W202-I226 HydrophobicContact CD2-CD1 4.2Å; W202-I226 HydrophobicContact CE3-CD1 4.16Å; W202-I226 HydrophobicContact CG-CB 4.29Å; W202-I226 HydrophobicContact CG-CG2 4.42Å; W202-I226 HydrophobicContact CH2-CD1 4.24Å; W202-I226 HydrophobicContact CZ2-CD1 4.35Å; W202-I226 HydrophobicContact CZ3-CD1 4.15Å; W202-I258 HydrophobicContact CZ2-CG1 4.47Å; W202-T269 HydrophobicContact CH2-CG2 4.2Å; W202-T269 HydrophobicContact CZ3-CG2 3.81Å; W202-F270 PolarHBondContact N-O 3.04Å; W202-E271 HydrophobicContact CB-CG 4.31Å; W202-C272 WeakPolarHBondContact O-CA 3.46Å; W202-C272 VanDerWaalsContact O-CB 3.23Å; W202-C272 WeakPolarHBondContact O-CB 3.38Å; W202-C272 PolarHBondContact O-N 3.38Å; W202-Q281 HydrophobicContact CZ2-CB 4.47Å; W202-A282 HydrophobicContact CD2-CB 3.97Å; W202-A282 HydrophobicContact CE3-CB 3.6Å; W202-A282 HydrophobicContact CH2-CB 4.22Å; W202-A282 HydrophobicContact CZ2-CB 4.48Å; W202-A282 HydrophobicContact CZ3-CB 3.77Å; W202-S285 WeakPolarHBondContact CH2-OG 3.4Å; W202-S285 WeakPolarHBondContact CZ2-OG 3.22Å
203G98Very high98.3Very high7 Ų723.2 Ų23.27%0.07212%0.122CC..  trans87.9113.2-179.100000111.9G208 I226 V273G203-G208 WeakPolarHBondContact O-CA 3.43Å; G203-I226 PolarHBondContact N-O 2.97Å; G203-V273 VanDerWaalsContact CA-CG2 3.49Å
204L97.1Very high98.3Very high0 Ų022.5 Ų22.50%012%0.118CC..  trans-10335.2-176-61.1175.5000112.3I212 D227 K232 F233 A236L204-I212 HydrophobicContact CD2-CD1 3.42Å; L204-I212 VanDerWaalsContact CD2-CD1 3.42Å; L204-D227 HydrophobicContact CB-CB 4.07Å; L204-D227 HydrophobicContact CD1-CB 3.72Å; L204-D227 HydrophobicContact CG-CB 3.8Å; L204-D227 PolarHBondContact N-OD2 3.16Å; L204-K232 HydrophobicContact CB-CB 3.98Å; L204-K232 HydrophobicContact CB-CD 4.01Å; L204-K232 HydrophobicContact CD1-CB 4.48Å; L204-F233 HydrophobicContact CD1-CD1 3.77Å; L204-F233 HydrophobicContact CD1-CE1 3.98Å; L204-A236 HydrophobicContact CD1-CB 3.84Å; L204-A236 HydrophobicContact CD2-CB 4Å; L204-A236 HydrophobicContact CG-CB 4.38Å
205G95.1Very high98.3Very high27 Ų2716.1 Ų16.128%0.2789%0.089SC..SBendtrans-77.7-171.516500000111.7V207 G208 L209G205-V207 VanDerWaalsContact C-N 3.28Å; G205-V207 PolarHBondContact O-N 3.12Å; G205-G208 PolarHBondContact O-N 3.29Å; G205-G208 VanDerWaalsContact O-N 3.14Å; G205-L209 WeakPolarHBondContact O-CB 3.5Å; G205-L209 WeakPolarHBondContact O-CG 3.31Å; G205-L209 PolarHBondContact O-N 3.11Å
206A96Very high98.3Very high1 Ų114.9 Ų14.91%0.0088%0.083CC..Hα-helixtrans-56.9-38-176.400000114A210 F349 I372 R373A206-A210 VanDerWaalsContact O-CB 3.32Å; A206-A210 WeakPolarHBondContact O-CB 3.49Å; A206-A210 PolarHBondContact O-N 2.86Å; A206-F349 HydrophobicContact CB-CD1 3.77Å; A206-F349 HydrophobicContact CB-CE1 4.19Å; A206-F349 VanDerWaalsContact O-CE1 3.22Å; A206-F349 WeakPolarHBondContact O-CE1 3.33Å; A206-I372 HydrophobicContact CB-CG2 3.87Å; A206-R373 HydrophobicContact CB-CG 3.84Å
207V98Very high98.2Very high28 Ų2816.6 Ų16.617%0.179%0.086CC..Hα-helixtrans-64.1-49.4177.61780000110.6G205 L209 A210 V211 C272 I296G205-V207 VanDerWaalsContact C-N 3.28Å; G205-V207 PolarHBondContact O-N 3.12Å; V207-L209 PolarHBondContact O-N 3.25Å; V207-A210 WeakPolarHBondContact O-CB 3.25Å; V207-A210 PolarHBondContact O-N 3.07Å; V207-V211 WeakPolarHBondContact O-CG2 3.41Å; V207-V211 PolarHBondContact O-N 3.25Å; V207-C272 HydrophobicContact CB-CB 4.25Å; V207-C272 HydrophobicContact CG1-CB 3.98Å; V207-I296 HydrophobicContact CG1-CB 4.37Å; V207-I296 HydrophobicContact CG1-CD1 4.39Å; V207-I296 HydrophobicContact CG1-CG2 3.61Å
208G98.5Very high98.2Very high1 Ų117 Ų171%0.019%0.09CC..Hα-helixtrans-66.1-37.3178.900000113.6G203 G205 A210 V211 I212G203-G208 WeakPolarHBondContact O-CA 3.43Å; G205-G208 PolarHBondContact O-N 3.29Å; G205-G208 VanDerWaalsContact O-N 3.14Å; G208-A210 VanDerWaalsContact C-N 3.3Å; G208-A210 PolarHBondContact O-N 2.97Å; G208-V211 WeakPolarHBondContact O-CB 3.33Å; G208-V211 PolarHBondContact O-N 3.21Å; G208-I212 WeakPolarHBondContact O-CG1 3.44Å; G208-I212 PolarHBondContact O-N 2.98Å
209L98.2Very high98.2Very high0 Ų018 Ų180%010%0.102CC..Hα-helixtrans-63.1-37172.5-69.3173.9000111.7G205 V207 I212 M213 L235 A236 F239 F349 I372G205-L209 WeakPolarHBondContact O-CB 3.5Å; G205-L209 WeakPolarHBondContact O-CG 3.31Å; G205-L209 PolarHBondContact O-N 3.11Å; V207-L209 PolarHBondContact O-N 3.25Å; L209-I212 PolarHBondContact O-N 3.19Å; L209-M213 WeakPolarHBondContact O-CB 3.28Å; L209-M213 PolarHBondContact O-N 3.1Å; L209-L235 HydrophobicContact CD1-CD2 3.64Å; L209-L235 HydrophobicContact CD1-CG 4.1Å; L209-L235 HydrophobicContact CD2-CG 4.45Å; L209-A236 HydrophobicContact CD2-CB 4.01Å; L209-F239 HydrophobicContact CB-CD1 4.23Å; L209-F239 HydrophobicContact CB-CG 4.28Å; L209-F239 HydrophobicContact CD1-CE2 4.46Å; L209-F239 HydrophobicContact CD2-CB 4.19Å; L209-F239 HydrophobicContact CD2-CD2 4.08Å; L209-F239 HydrophobicContact CD2-CG 4.13Å; L209-F349 HydrophobicContact CB-CE1 3.66Å; L209-F349 HydrophobicContact CB-CZ 4.25Å; L209-I372 HydrophobicContact CD1-CD1 3.99Å; L209-I372 HydrophobicContact CD1-CG1 4.36Å; L209-I372 HydrophobicContact CD1-CG2 4Å
210A98.7Very high98.2Very high0 Ų018.6 Ų18.60%011%0.107CC..Hα-helixtrans-70.7-34.6174.200000112.8I180 A206 V207 G208 M213 G214 F349I180-A210 HydrophobicContact CG2-CB 4.47Å; I180-A210 WeakPolarHBondContact O-CB 3.43Å; A206-A210 VanDerWaalsContact O-CB 3.32Å; A206-A210 WeakPolarHBondContact O-CB 3.49Å; A206-A210 PolarHBondContact O-N 2.86Å; V207-A210 WeakPolarHBondContact O-CB 3.25Å; V207-A210 PolarHBondContact O-N 3.07Å; G208-A210 VanDerWaalsContact C-N 3.3Å; G208-A210 PolarHBondContact O-N 2.97Å; A210-M213 PolarHBondContact O-N 3.18Å; A210-G214 PolarHBondContact O-N 3.25Å; A210-F349 HydrophobicContact CB-CE1 4.22Å; A210-F349 HydrophobicContact CB-CZ 3.93Å
211V98.9Very high98.2Very high0 Ų025.3 Ų25.30%013%0.132CC..Hα-helixtrans-61.3-48.8168.6172.20000110.2G183 V187 V201 V207 G208 M213 G214 C215 F270 I296G183-V211 WeakPolarHBondContact O-CG2 3.36Å; V187-V211 HydrophobicContact CG2-CB 4.39Å; V187-V211 HydrophobicContact CG2-CG1 3.89Å; V187-V211 WeakPolarHBondContact CG2-O 3.47Å; V201-V211 HydrophobicContact CG1-CB 4.18Å; V201-V211 HydrophobicContact CG1-CG1 4.14Å; V201-V211 HydrophobicContact CG2-CB 4.35Å; V201-V211 HydrophobicContact CG2-CG1 3.57Å; V207-V211 WeakPolarHBondContact O-CG2 3.41Å; V207-V211 PolarHBondContact O-N 3.25Å; G208-V211 WeakPolarHBondContact O-CB 3.33Å; G208-V211 PolarHBondContact O-N 3.21Å; V211-M213 VanDerWaalsContact C-N 3.32Å; V211-M213 PolarHBondContact O-N 2.89Å; V211-G214 CarbonylContact O-C 3.56Å; V211-G214 WeakPolarHBondContact O-CA 3.06Å; V211-G214 PolarHBondContact O-N 3.48Å; V211-C215 PolarHBondContact O-N 3.09Å; V211-C215 PolarHBondContact O-SG 3.44Å; V211-C215 VanDerWaalsContact O-SG 3.34Å; V211-F270 HydrophobicContact CG1-CB 3.81Å; V211-F270 HydrophobicContact CG1-CD1 3.9Å; V211-F270 HydrophobicContact CG1-CD2 3.47Å; V211-F270 VanDerWaalsContact CG1-CD2 3.47Å; V211-F270 HydrophobicContact CG1-CE1 4.32Å; V211-F270 HydrophobicContact CG1-CE2 3.95Å; V211-F270 HydrophobicContact CG1-CG 3.44Å; V211-F270 VanDerWaalsContact CG1-CG 3.44Å; V211-F270 HydrophobicContact CG1-CZ 4.34Å; V211-F270 HydrophobicContact CG2-CB 4.35Å; V211-F270 HydrophobicContact CG2-CD1 4.36Å; V211-F270 HydrophobicContact CG2-CG 4.4Å; V211-I296 HydrophobicContact CG2-CD1 3.63Å
212I98.9Very high98.2Very high0 Ų028.4 Ų28.40%014%0.144CC..Hα-helixtrans-56.9-46.7178.1-73.3166.7000110.9V201 L204 G208 L209 G214 C215 K216 I223 A236 F239 G240 A241V201-I212 HydrophobicContact CB-CG1 4.33Å; V201-I212 HydrophobicContact CG2-CG1 3.99Å; L204-I212 HydrophobicContact CD2-CD1 3.42Å; L204-I212 VanDerWaalsContact CD2-CD1 3.42Å; G208-I212 WeakPolarHBondContact O-CG1 3.44Å; G208-I212 PolarHBondContact O-N 2.98Å; L209-I212 PolarHBondContact O-N 3.19Å; I212-G214 VanDerWaalsContact C-N 3.32Å; I212-G214 PolarHBondContact O-N 2.99Å; I212-C215 PolarHBondContact O-N 3.08Å; I212-K216 WeakPolarHBondContact O-CB 3.27Å; I212-K216 PolarHBondContact O-N 3.14Å; I212-I223 HydrophobicContact CB-CG2 4.35Å; I212-I223 HydrophobicContact CG1-CG2 3.91Å; I212-I223 HydrophobicContact CG2-CG2 4.16Å; I212-A236 HydrophobicContact CD1-CB 4.05Å; I212-F239 HydrophobicContact CG2-CB 4Å; I212-G240 VanDerWaalsContact CG2-C 3.48Å; I212-A241 HydrophobicContact CD1-CB 4.22Å; I212-A241 HydrophobicContact CG2-CB 4.36Å
213M98.4Very high98.2Very high14 Ų1428.3 Ų28.37%0.06914%0.144CC..Hα-helixtrans-57.9-44.4174.8179.8176.267.200111.8I180 Y184 L209 A210 V211 K217 F239 I344 R345 F349I180-M213 HydrophobicContact CG2-CE 4.09Å; Y184-M213 HydrophobicContact CD2-CE 3.67Å; Y184-M213 HydrophobicContact CD2-CG 4.44Å; Y184-M213 HydrophobicContact CE2-CE 4.2Å; Y184-M213 HydrophobicContact CE2-CG 4.4Å; Y184-M213 HydrophobicContact CG-CE 4.4Å; L209-M213 WeakPolarHBondContact O-CB 3.28Å; L209-M213 PolarHBondContact O-N 3.1Å; A210-M213 PolarHBondContact O-N 3.18Å; V211-M213 VanDerWaalsContact C-N 3.32Å; V211-M213 PolarHBondContact O-N 2.89Å; M213-K217 WeakPolarHBondContact O-CB 3.23Å; M213-K217 PolarHBondContact O-N 2.57Å; M213-F239 HydrophobicContact CB-CD1 4.26Å; M213-I344 HydrophobicContact CE-CG2 3.85Å; M213-R345 HydrophobicContact SD-CB 3.79Å; M213-R345 HydrophobicContact SD-CG 4.23Å; M213-F349 HydrophobicContact CE-CE2 4.35Å; M213-F349 HydrophobicContact CE-CZ 4.43Å
214G98.7Very high98.2Very high0 Ų028 Ų280%014%0.14CC..Hα-helixtrans-61.8-48.417600000112.5V187 F188 A210 V211 I212 K216 K217 A218V187-G214 VanDerWaalsContact CG1-C 3.46Å; F188-G214 WeakPolarHBondContact CZ-O 3.43Å; A210-G214 PolarHBondContact O-N 3.25Å; V211-G214 CarbonylContact O-C 3.56Å; V211-G214 WeakPolarHBondContact O-CA 3.06Å; V211-G214 PolarHBondContact O-N 3.48Å; I212-G214 VanDerWaalsContact C-N 3.32Å; I212-G214 PolarHBondContact O-N 2.99Å; G214-K216 VanDerWaalsContact C-N 3.35Å; G214-K216 PolarHBondContact O-N 2.99Å; G214-K217 PolarHBondContact O-N 3.45Å; G214-K217 VanDerWaalsContact O-N 3.16Å; G214-A218 WeakPolarHBondContact O-CB 3.44Å; G214-A218 PolarHBondContact O-N 2.75Å
215C98.9Very high98.3Very high0 Ų028 Ų280%014%0.14CC..Hα-helixtrans-60.7-42.8178.5-67.80000111.8C199 V211 I212 K217 A218 G219 A220 I223C199-C215 HydrophobicContact CB-CB 4.3Å; C199-C215 VanDerWaalsContact SG-SG 3.63Å; V211-C215 PolarHBondContact O-N 3.09Å; V211-C215 PolarHBondContact O-SG 3.44Å; V211-C215 VanDerWaalsContact O-SG 3.34Å; I212-C215 PolarHBondContact O-N 3.08Å; C215-K217 VanDerWaalsContact C-N 3.34Å; C215-K217 PolarHBondContact O-N 3.28Å; C215-A218 PolarHBondContact O-N 3.19Å; C215-G219 PolarHBondContact O-N 2.61Å; C215-G219 VanDerWaalsContact O-N 3.14Å; C215-A220 HydrophobicContact CB-CB 4.13Å; C215-A220 WeakPolarHBondContact O-CB 3.42Å; C215-A220 PolarHBondContact O-N 3.32Å; C215-I223 HydrophobicContact CB-CD1 3.77Å; C215-I223 HydrophobicContact CB-CG1 3.99Å; C215-I223 HydrophobicContact CB-CG2 4.43Å
216K98.6Very high98.5Very high127 Ų12726.9 Ų26.955%0.55213%0.128SC*.Hα-helixtrans-61.2-44.1175.4177.2171175.6177.90111.1I212 G214 G219 I223I212-K216 WeakPolarHBondContact O-CB 3.27Å; I212-K216 PolarHBondContact O-N 3.14Å; G214-K216 VanDerWaalsContact C-N 3.35Å; G214-K216 PolarHBondContact O-N 2.99Å; K216-G219 PolarHBondContact O-N 2.92Å; K216-G219 VanDerWaalsContact O-N 3.14Å; K216-I223 HydrophobicContact CB-CD1 3.87Å
217K98.1Very high98.6Very high125 Ų12527.5 Ų27.554%0.54313%0.131SC..Hα-helixtrans-66.6-35.2177.7179.567.4173-169.30112.6F188 M213 G214 C215 G219F188-K217 HydrophobicContact CE2-CG 4.47Å; F188-K217 HydrophobicContact CZ-CB 3.89Å; F188-K217 HydrophobicContact CZ-CG 3.73Å; M213-K217 WeakPolarHBondContact O-CB 3.23Å; M213-K217 PolarHBondContact O-N 2.57Å; G214-K217 PolarHBondContact O-N 3.45Å; G214-K217 VanDerWaalsContact O-N 3.16Å; C215-K217 VanDerWaalsContact C-N 3.34Å; C215-K217 PolarHBondContact O-N 3.28Å; K217-G219 PolarHBondContact O-N 2.79Å
218A98.6Very high98.6Very high18 Ų1832.5 Ų32.515%0.14916%0.156CC..Hα-helixtrans-69.5-14.2173.600000113.1V187 F188 V193 G214 C215V187-A218 HydrophobicContact CG1-CB 4.07Å; F188-A218 HydrophobicContact CE1-CB 3.97Å; F188-A218 HydrophobicContact CZ-CB 4.22Å; V193-A218 HydrophobicContact CB-CB 4.06Å; V193-A218 HydrophobicContact CG1-CB 4.01Å; G214-A218 WeakPolarHBondContact O-CB 3.44Å; G214-A218 PolarHBondContact O-N 2.75Å; C215-A218 PolarHBondContact O-N 3.19Å
219G98.6Very high98.4Very high26 Ų2634.5 Ų34.527%0.26817%0.166SC..THydrogen-bonded Turntrans87.726.417800000113.8D196 C215 K216 K217 R221D196-G219 WeakPolarHBondContact CA-O 3.45Å; D196-G219 PolarHBondContact N-O 3.02Å; C215-G219 PolarHBondContact O-N 2.61Å; C215-G219 VanDerWaalsContact O-N 3.14Å; K216-G219 PolarHBondContact O-N 2.92Å; K216-G219 VanDerWaalsContact O-N 3.14Å; K217-G219 PolarHBondContact O-N 2.79Å; G219-R221 PolarHBondContact O-N 3.04Å
220A98.8Very high98.4Very high14 Ų1438.5 Ų38.512%0.11619%0.185CC..  trans-57.5134.4171.900000111V193 S197 C215 I223V193-A220 HydrophobicContact CG1-CB 4.44Å; S197-A220 CarbonylContact O-C 3.42Å; S197-A220 WeakPolarHBondContact O-CA 3.44Å; S197-A220 WeakPolarHBondContact O-CB 3.34Å; C215-A220 HydrophobicContact CB-CB 4.13Å; C215-A220 WeakPolarHBondContact O-CB 3.42Å; C215-A220 PolarHBondContact O-N 3.32Å; A220-I223 HydrophobicContact CB-CD1 4.18Å; A220-I223 HydrophobicContact CB-CG1 3.87Å
221R98.5Very high98.1Very high140 Ų14045.6 Ų45.653%0.52822%0.223SC..SBendtrans-77.2-30.2-177.174.9-177.5-175-90.27.1113.4D196 S197 I198 G219 D267D196-R221 WeakPolarHBondContact O-CD 3.35Å; D196-R221 WeakPolarHBondContact O-CG 3.34Å; D196-R221 PolarHBondContact O-NH1 2.92Å; S197-R221 PolarHBondContact O-N 2.88Å; I198-R221 HydrophobicContact CG1-CG 4.33Å; G219-R221 PolarHBondContact O-N 3.04Å; R221-D267 IonicContact NH1-OD2 2.8Å
222R98.8Very high97.9Very high65 Ų6547.8 Ų47.825%0.24523%0.232CC..EExtended strand (participates in β ladder)trans-137.7133.8177.4-76.2179.870.5-169.24.1109.3I198 C199 E243 I261I198-R222 WeakPolarHBondContact CA-O 3.1Å; I198-R222 HydrophobicContact CB-CB 4.48Å; I198-R222 HydrophobicContact CG1-CB 4.22Å; I198-R222 HydrophobicContact CG2-CB 4.07Å; C199-R222 PolarHBondContact N-O 2.96Å; R222-E243 IonicContact CZ-OE1 3.68Å; R222-E243 VanDerWaalsContact CZ-OE1 3.27Å; R222-E243 IonicContact NE-OE1 2.79Å; R222-E243 PolarHBondContact NE-OE1 3.07Å; R222-E243 VanDerWaalsContact NH2-CD 3.33Å; R222-E243 IonicContact NH2-OE1 3.12Å; R222-E243 PolarHBondContact NH2-OE1 2.84Å; R222-E243 IonicContact NH2-OE2 3.27Å; R222-E243 PolarHBondContact NH2-OE2 2.98Å; R222-E243 VanDerWaalsContact NH2-OE2 3.12Å; R222-I261 PolarHBondContact NH1-O 2.85Å; R222-I261 PolarHBondContact NH2-O 2.85Å
223I98.9Very high97.9Very high2 Ų249.3 Ų49.31%0.0124%0.239CC..EExtended strand (participates in β ladder)trans-133.5102.7-178.7-56.4167000107.6C199 I212 C215 K216 A220 G240 A241 T242C199-I223 WeakPolarHBondContact O-CA 3.23Å; I212-I223 HydrophobicContact CB-CG2 4.35Å; I212-I223 HydrophobicContact CG1-CG2 3.91Å; I212-I223 HydrophobicContact CG2-CG2 4.16Å; C215-I223 HydrophobicContact CB-CD1 3.77Å; C215-I223 HydrophobicContact CB-CG1 3.99Å; C215-I223 HydrophobicContact CB-CG2 4.43Å; K216-I223 HydrophobicContact CB-CD1 3.87Å; A220-I223 HydrophobicContact CB-CD1 4.18Å; A220-I223 HydrophobicContact CB-CG1 3.87Å; I223-G240 WeakPolarHBondContact CD1-O 3.4Å; I223-A241 CarbonylContact O-C 3.6Å; I223-A241 WeakPolarHBondContact O-CA 3.49Å; I223-T242 PolarHBondContact N-OG1 2.86Å; I223-T242 PolarHBondContact O-N 2.92Å; I223-T242 PolarHBondContact O-OG1 2.8Å
224I99Very high97.8Very high0 Ų051.1 Ų51.10%026%0.261CS..EExtended strand (participates in β ladder)trans-93.8114.9-174.4-51.5175.1000108.6I198 C199 A200 V201 I226 E243 I245 I258 I261 T262I198-I224 HydrophobicContact CG2-CD1 4.34Å; C199-I224 PolarHBondContact O-N 2.83Å; A200-I224 CarbonylContact C-O 3.55Å; A200-I224 WeakPolarHBondContact CA-O 3.21Å; A200-I224 HydrophobicContact CB-CB 4.15Å; V201-I224 PolarHBondContact N-O 3.1Å; I224-I226 HydrophobicContact CB-CD1 4.43Å; I224-I226 HydrophobicContact CG2-CD1 3.96Å; I224-I226 HydrophobicContact CG2-CG1 4.32Å; I224-I226 WeakPolarHBondContact O-CD1 3.37Å; I224-E243 HydrophobicContact CB-CG 4.19Å; I224-E243 HydrophobicContact CG1-CG 3.81Å; I224-E243 HydrophobicContact CG2-CG 4.09Å; I224-I245 HydrophobicContact CG2-CD1 3.79Å; I224-I245 HydrophobicContact CG2-CG1 4.21Å; I224-I258 HydrophobicContact CD1-CD1 4.4Å; I224-I258 HydrophobicContact CG2-CD1 3.89Å; I224-I261 HydrophobicContact CD1-CD1 4.16Å; I224-T262 HydrophobicContact CD1-CG2 3.7Å
225G98.9Very high97.6Very high0 Ų053.6 Ų53.60%027%0.274CS..EExtended strand (participates in β ladder)trans-86.4132.4172.200000111.7E243 C244 I245G225-E243 PolarHBondContact N-O 2.85Å; G225-C244 CarbonylContact O-C 3.55Å; G225-C244 VanDerWaalsContact O-CA 3.23Å; G225-C244 WeakPolarHBondContact O-CA 3.27Å; G225-I245 PolarHBondContact O-N 2.89Å
226I98.9Very high97.5Very high3 Ų353.6 Ų53.62%0.01527%0.274CS..EExtended strand (participates in β ladder)trans-123.3116.2178.4-57.695.1000109.4A200 V201 W202 G203 I224 I245 P247 I254 I258A200-I226 HydrophobicContact CB-CD1 3.77Å; V201-I226 PolarHBondContact O-N 2.91Å; W202-I226 HydrophobicContact CD2-CB 4.47Å; W202-I226 HydrophobicContact CD2-CD1 4.2Å; W202-I226 HydrophobicContact CE3-CD1 4.16Å; W202-I226 HydrophobicContact CG-CB 4.29Å; W202-I226 HydrophobicContact CG-CG2 4.42Å; W202-I226 HydrophobicContact CH2-CD1 4.24Å; W202-I226 HydrophobicContact CZ2-CD1 4.35Å; W202-I226 HydrophobicContact CZ3-CD1 4.15Å; G203-I226 PolarHBondContact N-O 2.97Å; I224-I226 HydrophobicContact CB-CD1 4.43Å; I224-I226 HydrophobicContact CG2-CD1 3.96Å; I224-I226 HydrophobicContact CG2-CG1 4.32Å; I224-I226 WeakPolarHBondContact O-CD1 3.37Å; I226-I245 WeakPolarHBondContact CA-O 3.34Å; I226-P247 HydrophobicContact CG2-CG 3.53Å; I226-I254 HydrophobicContact CG2-CG1 4.31Å; I226-I258 HydrophobicContact CD1-CD1 4.41Å; I226-I258 HydrophobicContact CG1-CD1 4.36Å
227D98.3Very high97.5Very high15 Ų1551.7 Ų51.78%0.0827%0.269CS..  trans-151.3149.9173.4-156.5-64.2000109.8L204 N229 K232 F233 I245 N246L204-D227 HydrophobicContact CB-CB 4.07Å; L204-D227 HydrophobicContact CD1-CB 3.72Å; L204-D227 HydrophobicContact CG-CB 3.8Å; L204-D227 PolarHBondContact N-OD2 3.16Å; D227-N229 VanDerWaalsContact C-N 3.27Å; D227-N229 WeakPolarHBondContact OD1-CB 3.4Å; D227-N229 PolarHBondContact OD1-N 2.93Å; D227-K232 IonicContact OD1-NZ 3.75Å; D227-K232 PolarHBondContact OD1-NZ 3.42Å; D227-K232 VanDerWaalsContact OD2-CD 3.31Å; D227-K232 WeakPolarHBondContact OD2-CD 3.45Å; D227-K232 IonicContact OD2-NZ 2.77Å; D227-K232 PolarHBondContact OD2-NZ 3.35Å; D227-F233 HydrophobicContact CB-CE1 4.14Å; D227-I245 PolarHBondContact N-O 3.3Å; D227-N246 WeakPolarHBondContact O-CA 3.34Å
228I97.3Very high97.5Very high133 Ų13348.5 Ų48.568%0.68226%0.263SS*.SBendtrans-75.2-20.6175.560173.2000112.1N246I228-N246 PolarHBondContact O-ND2 3.09Å
229N95.1Very high97.4Very high43 Ų4347.8 Ų47.823%0.2326%0.256CS..  trans-100.2100.6-179.9-177.2-2.6000111D227 N231 K232D227-N229 VanDerWaalsContact C-N 3.27Å; D227-N229 WeakPolarHBondContact OD1-CB 3.4Å; D227-N229 PolarHBondContact OD1-N 2.93Å; N229-N231 PolarHBondContact O-N 2.75Å; N229-N231 VanDerWaalsContact OD1-CB 3.25Å; N229-N231 WeakPolarHBondContact OD1-CB 3.22Å; N229-N231 PolarHBondContact OD1-N 3.38Å; N229-N231 VanDerWaalsContact OD1-N 3.1Å; N229-K232 HydrophobicContact CB-CD 4.36Å; N229-K232 HydrophobicContact CB-CG 4.47Å; N229-K232 PolarHBondContact O-N 2.93Å
230E96.9Very high97.4Very high84 Ų8447 Ų4739%0.39325%0.248SC..G310 helixtrans-64.9-18.6-178.1-57.6-175.2175.300113.3K232 F233 N246 K249E230-K232 PolarHBondContact O-N 3.39Å; E230-K232 VanDerWaalsContact O-N 3.1Å; E230-F233 HydrophobicContact CB-CD2 3.98Å; E230-F233 HydrophobicContact CB-CE2 3.86Å; E230-F233 HydrophobicContact CB-CG 4.47Å; E230-F233 HydrophobicContact CB-CZ 4.25Å; E230-F233 HydrophobicContact CG-CD2 4.22Å; E230-F233 HydrophobicContact CG-CE2 3.59Å; E230-F233 HydrophobicContact CG-CZ 3.84Å; E230-F233 WeakPolarHBondContact O-CB 3.35Å; E230-F233 WeakPolarHBondContact O-CG 3.48Å; E230-F233 PolarHBondContact O-N 3.11Å; E230-N246 HydrophobicContact CG-CB 3.98Å; E230-N246 WeakPolarHBondContact CG-ND2 3.31Å; E230-N246 VanDerWaalsContact OE1-CB 3.28Å; E230-N246 WeakPolarHBondContact OE1-CB 3.26Å; E230-N246 PolarHBondContact OE1-ND2 2.95Å; E230-K249 WeakPolarHBondContact OE1-CE 3.18Å
231N93.9Very high97.4Very high148 Ų14846.7 Ų46.779%0.79125%0.246SC*.G310 helixtrans-62.2-20.6176-63.3-24.6000112.4N229N229-N231 PolarHBondContact O-N 2.75Å; N229-N231 VanDerWaalsContact OD1-CB 3.25Å; N229-N231 WeakPolarHBondContact OD1-CB 3.22Å; N229-N231 PolarHBondContact OD1-N 3.38Å; N229-N231 VanDerWaalsContact OD1-N 3.1Å
232K94.8Very high97.5Very high46 Ų4643.5 Ų43.520%0.224%0.242CC..G310 helixtrans-81.3-14177.5-60.8178-175.1170.60113.4L204 D227 N229 E230 G234 L235 A236L204-K232 HydrophobicContact CB-CB 3.98Å; L204-K232 HydrophobicContact CB-CD 4.01Å; L204-K232 HydrophobicContact CD1-CB 4.48Å; D227-K232 IonicContact OD1-NZ 3.75Å; D227-K232 PolarHBondContact OD1-NZ 3.42Å; D227-K232 VanDerWaalsContact OD2-CD 3.31Å; D227-K232 WeakPolarHBondContact OD2-CD 3.45Å; D227-K232 IonicContact OD2-NZ 2.77Å; D227-K232 PolarHBondContact OD2-NZ 3.35Å; N229-K232 HydrophobicContact CB-CD 4.36Å; N229-K232 HydrophobicContact CB-CG 4.47Å; N229-K232 PolarHBondContact O-N 2.93Å; E230-K232 PolarHBondContact O-N 3.39Å; E230-K232 VanDerWaalsContact O-N 3.1Å; K232-G234 PolarHBondContact O-N 2.87Å; K232-L235 PolarHBondContact O-N 3.43Å; K232-A236 PolarHBondContact O-N 3.08Å
233F97.4Very high97.4Very high33 Ų3343.1 Ų43.115%0.14524%0.243CC..Hα-helixtrans-66.5-41.1-170.2-67.5-2.6000112.3L204 D227 E230 L235 A236 L237 C244 N246L204-F233 HydrophobicContact CD1-CD1 3.77Å; L204-F233 HydrophobicContact CD1-CE1 3.98Å; D227-F233 HydrophobicContact CB-CE1 4.14Å; E230-F233 HydrophobicContact CB-CD2 3.98Å; E230-F233 HydrophobicContact CB-CE2 3.86Å; E230-F233 HydrophobicContact CB-CG 4.47Å; E230-F233 HydrophobicContact CB-CZ 4.25Å; E230-F233 HydrophobicContact CG-CD2 4.22Å; E230-F233 HydrophobicContact CG-CE2 3.59Å; E230-F233 HydrophobicContact CG-CZ 3.84Å; E230-F233 WeakPolarHBondContact O-CB 3.35Å; E230-F233 WeakPolarHBondContact O-CG 3.48Å; E230-F233 PolarHBondContact O-N 3.11Å; F233-L235 VanDerWaalsContact C-N 3.28Å; F233-L235 PolarHBondContact O-N 3.35Å; F233-A236 PolarHBondContact O-N 3.24Å; F233-L237 VanDerWaalsContact O-CG 3.28Å; F233-L237 WeakPolarHBondContact O-CG 3.33Å; F233-L237 PolarHBondContact O-N 2.79Å; F233-C244 HydrophobicContact CB-CB 3.87Å; F233-C244 HydrophobicContact CD1-CB 3.61Å; F233-C244 HydrophobicContact CD2-CB 3.54Å; F233-C244 HydrophobicContact CE1-CB 3.95Å; F233-C244 HydrophobicContact CE2-CB 3.87Å; F233-C244 HydrophobicContact CG-CB 3.39Å; F233-C244 HydrophobicContact CZ-CB 4.07Å; F233-N246 HydrophobicContact CE2-CB 4.4Å; F233-N246 HydrophobicContact CZ-CB 4.01Å
234G96.5Very high97.4Very high52 Ų5244.4 Ų44.454%0.53625%0.252SS..Hα-helixtrans-57.7-43.3177.100000112.1K232 S238K232-G234 PolarHBondContact O-N 2.87Å; G234-S238 PolarHBondContact O-N 3.48Å; G234-S238 VanDerWaalsContact O-N 3.13Å
235L94.7Very high97.4Very high51 Ų5145.2 Ų45.227%0.26726%0.256SS..Hα-helixtrans-66.9-46.9176.4-166.362.9000111L209 K232 F233 L237 S238 F239 I372L209-L235 HydrophobicContact CD1-CD2 3.64Å; L209-L235 HydrophobicContact CD1-CG 4.1Å; L209-L235 HydrophobicContact CD2-CG 4.45Å; K232-L235 PolarHBondContact O-N 3.43Å; F233-L235 VanDerWaalsContact C-N 3.28Å; F233-L235 PolarHBondContact O-N 3.35Å; L235-L237 VanDerWaalsContact C-N 3.31Å; L235-L237 PolarHBondContact O-N 2.95Å; L235-S238 WeakPolarHBondContact O-CA 3.32Å; L235-S238 WeakPolarHBondContact O-CB 3.35Å; L235-S238 PolarHBondContact O-N 3.02Å; L235-S238 PolarHBondContact O-OG 3.32Å; L235-F239 HydrophobicContact CD1-CD2 4.03Å; L235-F239 HydrophobicContact CD1-CE2 3.69Å; L235-F239 HydrophobicContact CD2-CE2 4.44Å; L235-F239 HydrophobicContact CG-CD2 3.93Å; L235-F239 HydrophobicContact CG-CE2 3.85Å; L235-F239 WeakPolarHBondContact O-CD2 3.44Å; L235-F239 PolarHBondContact O-N 3.32Å; L235-I372 HydrophobicContact CD2-CD1 3.95Å; L235-I372 HydrophobicContact CD2-CG1 3.61Å
236A98Very high97.4Very high0 Ų045.9 Ų45.90%026%0.26CS..Hα-helixtrans-56.2-42.9177.600000113.2L204 L209 I212 K232 F233 S238 F239 G240 A241L204-A236 HydrophobicContact CD1-CB 3.84Å; L204-A236 HydrophobicContact CD2-CB 4Å; L204-A236 HydrophobicContact CG-CB 4.38Å; L209-A236 HydrophobicContact CD2-CB 4.01Å; I212-A236 HydrophobicContact CD1-CB 4.05Å; K232-A236 PolarHBondContact O-N 3.08Å; F233-A236 PolarHBondContact O-N 3.24Å; A236-S238 VanDerWaalsContact C-N 3.34Å; A236-S238 PolarHBondContact O-N 2.88Å; A236-F239 PolarHBondContact O-N 3.08Å; A236-F239 VanDerWaalsContact O-N 3.15Å; A236-G240 PolarHBondContact O-N 2.97Å; A236-A241 HydrophobicContact CB-CB 4.15Å; A236-A241 WeakPolarHBondContact O-CB 3.18Å; A236-A241 PolarHBondContact O-N 2.63Å
237L98.5Very high97.4Very high87 Ų8747.4 Ų47.446%0.45527%0.27SS..Hα-helixtrans-60.3-43.6174-67.6170.4000111.3F233 L235 F239 G240 A241F233-L237 VanDerWaalsContact O-CG 3.28Å; F233-L237 WeakPolarHBondContact O-CG 3.33Å; F233-L237 PolarHBondContact O-N 2.79Å; L235-L237 VanDerWaalsContact C-N 3.31Å; L235-L237 PolarHBondContact O-N 2.95Å; L237-F239 PolarHBondContact O-N 3.43Å; L237-G240 PolarHBondContact O-N 3.12Å; L237-G240 VanDerWaalsContact O-N 3.14Å; L237-A241 HydrophobicContact CD2-CB 4.33Å; L237-A241 WeakPolarHBondContact CD2-O 3.39Å
238S96.9Very high97.3Very high58 Ų5850.6 Ų50.641%0.40630%0.298SS..Hα-helixtrans-64.2-26.4176.583.70000113.6G234 L235 A236 R345G234-S238 PolarHBondContact O-N 3.48Å; G234-S238 VanDerWaalsContact O-N 3.13Å; L235-S238 WeakPolarHBondContact O-CA 3.32Å; L235-S238 WeakPolarHBondContact O-CB 3.35Å; L235-S238 PolarHBondContact O-N 3.02Å; L235-S238 PolarHBondContact O-OG 3.32Å; A236-S238 VanDerWaalsContact C-N 3.34Å; A236-S238 PolarHBondContact O-N 2.88Å; S238-R345 PolarHBondContact O-NH1 3.18Å
239F97.7Very high97.3Very high4 Ų451.2 Ų51.22%0.01830%0.296CS..Hα-helixtrans-82.9-22.4176.4-89.4-96000112.9L209 I212 M213 L235 A236 L237 R345 E348 F349L209-F239 HydrophobicContact CB-CD1 4.23Å; L209-F239 HydrophobicContact CB-CG 4.28Å; L209-F239 HydrophobicContact CD1-CE2 4.46Å; L209-F239 HydrophobicContact CD2-CB 4.19Å; L209-F239 HydrophobicContact CD2-CD2 4.08Å; L209-F239 HydrophobicContact CD2-CG 4.13Å; I212-F239 HydrophobicContact CG2-CB 4Å; M213-F239 HydrophobicContact CB-CD1 4.26Å; L235-F239 HydrophobicContact CD1-CD2 4.03Å; L235-F239 HydrophobicContact CD1-CE2 3.69Å; L235-F239 HydrophobicContact CD2-CE2 4.44Å; L235-F239 HydrophobicContact CG-CD2 3.93Å; L235-F239 HydrophobicContact CG-CE2 3.85Å; L235-F239 WeakPolarHBondContact O-CD2 3.44Å; L235-F239 PolarHBondContact O-N 3.32Å; A236-F239 PolarHBondContact O-N 3.08Å; A236-F239 VanDerWaalsContact O-N 3.15Å; L237-F239 PolarHBondContact O-N 3.43Å; F239-R345 HydrophobicContact CE1-CB 4.49Å; F239-E348 HydrophobicContact CE2-CB 4.1Å; F239-E348 HydrophobicContact CZ-CB 3.79Å; F239-F349 HydrophobicContact CD1-CE2 4.42Å; F239-F349 HydrophobicContact CD1-CZ 4.1Å; F239-F349 HydrophobicContact CE1-CD2 4.01Å; F239-F349 HydrophobicContact CE1-CE1 4.02Å; F239-F349 AromaticContact CE1-CE2 3.36Å; F239-F349 HydrophobicContact CE1-CE2 3.36Å; F239-F349 AromaticContact CE1-CZ 3.36Å; F239-F349 HydrophobicContact CE1-CZ 3.36Å; F239-F349 HydrophobicContact CZ-CD1 4.5Å; F239-F349 HydrophobicContact CZ-CD2 4.04Å; F239-F349 HydrophobicContact CZ-CE1 4.32Å; F239-F349 AromaticContact CZ-CE2 3.87Å; F239-F349 HydrophobicContact CZ-CE2 3.87Å; F239-F349 HydrophobicContact CZ-CG 4.38Å; F239-F349 HydrophobicContact CZ-CZ 4.01Å
240G98.4Very high97.5Very high9 Ų952.9 Ų52.99%0.09330%0.302CS..THydrogen-bonded Turntrans136.12.5174.800000116I212 I223 A236 L237 T242I212-G240 VanDerWaalsContact CG2-C 3.48Å; I223-G240 WeakPolarHBondContact CD1-O 3.4Å; A236-G240 PolarHBondContact O-N 2.97Å; L237-G240 PolarHBondContact O-N 3.12Å; L237-G240 VanDerWaalsContact O-N 3.14Å; G240-T242 PolarHBondContact O-N 3.08Å
241A98.8Very high97.5Very high8 Ų855.1 Ų55.17%0.06633%0.327CS..  trans-59.1138171.600000109.3I212 I223 A236 L237I212-A241 HydrophobicContact CD1-CB 4.22Å; I212-A241 HydrophobicContact CG2-CB 4.36Å; I223-A241 CarbonylContact O-C 3.6Å; I223-A241 WeakPolarHBondContact O-CA 3.49Å; A236-A241 HydrophobicContact CB-CB 4.15Å; A236-A241 WeakPolarHBondContact O-CB 3.18Å; A236-A241 PolarHBondContact O-N 2.63Å; L237-A241 HydrophobicContact CD2-CB 4.33Å; L237-A241 WeakPolarHBondContact CD2-O 3.39Å
242T98.8Very high97.7Very high73 Ų7352.3 Ų52.345%0.44831%0.307SS..SBendtrans-87.8-27174.555.30000111.3I223 G240I223-T242 PolarHBondContact N-OG1 2.86Å; I223-T242 PolarHBondContact O-N 2.92Å; I223-T242 PolarHBondContact O-OG1 2.8Å; G240-T242 PolarHBondContact O-N 3.08Å
243E98.7Very high97.8Very high56 Ų5653.1 Ų53.126%0.26232%0.317SS..EExtended strand (participates in β ladder)trans-155.7155.7-18061.9-159.9111.100109.4R222 I224 G225R222-E243 IonicContact CZ-OE1 3.68Å; R222-E243 VanDerWaalsContact CZ-OE1 3.27Å; R222-E243 IonicContact NE-OE1 2.79Å; R222-E243 PolarHBondContact NE-OE1 3.07Å; R222-E243 VanDerWaalsContact NH2-CD 3.33Å; R222-E243 IonicContact NH2-OE1 3.12Å; R222-E243 PolarHBondContact NH2-OE1 2.84Å; R222-E243 IonicContact NH2-OE2 3.27Å; R222-E243 PolarHBondContact NH2-OE2 2.98Å; R222-E243 VanDerWaalsContact NH2-OE2 3.12Å; I224-E243 HydrophobicContact CB-CG 4.19Å; I224-E243 HydrophobicContact CG1-CG 3.81Å; I224-E243 HydrophobicContact CG2-CG 4.09Å; G225-E243 PolarHBondContact N-O 2.85Å
244C98.8Very high97.9Very high30 Ų3051.9 Ų51.920%0.20331%0.312CS..EExtended strand (participates in β ladder)trans-129.8143.3177-67.20000109.9G225 F233G225-C244 CarbonylContact O-C 3.55Å; G225-C244 VanDerWaalsContact O-CA 3.23Å; G225-C244 WeakPolarHBondContact O-CA 3.27Å; F233-C244 HydrophobicContact CB-CB 3.87Å; F233-C244 HydrophobicContact CD1-CB 3.61Å; F233-C244 HydrophobicContact CD2-CB 3.54Å; F233-C244 HydrophobicContact CE1-CB 3.95Å; F233-C244 HydrophobicContact CE2-CB 3.87Å; F233-C244 HydrophobicContact CG-CB 3.39Å; F233-C244 HydrophobicContact CZ-CB 4.07Å
245I98.7Very high98Very high17 Ų1750.7 Ų50.79%0.08729%0.293CS..EExtended strand (participates in β ladder)trans-131.2132.6-177.4-61176.4000109.8I224 G225 I226 D227 H250 I254 I258 I261I224-I245 HydrophobicContact CG2-CD1 3.79Å; I224-I245 HydrophobicContact CG2-CG1 4.21Å; G225-I245 PolarHBondContact O-N 2.89Å; I226-I245 WeakPolarHBondContact CA-O 3.34Å; D227-I245 PolarHBondContact N-O 3.3Å; I245-H250 WeakPolarHBondContact CG2-NE2 3.31Å; I245-I254 HydrophobicContact CG2-CD1 3.57Å; I245-I258 HydrophobicContact CD1-CD1 3.77Å; I245-I261 HydrophobicContact CD1-CD1 3.45Å; I245-I261 VanDerWaalsContact CD1-CD1 3.45Å
246N98.6Very high98.2Very high14 Ų1452.8 Ų52.88%0.07530%0.301CS..  trans-97.6114.3168.7-175.4-13.4000109.8D227 I228 E230 F233 A248 K249 H250D227-N246 WeakPolarHBondContact O-CA 3.34Å; I228-N246 PolarHBondContact O-ND2 3.09Å; E230-N246 HydrophobicContact CG-CB 3.98Å; E230-N246 WeakPolarHBondContact CG-ND2 3.31Å; E230-N246 VanDerWaalsContact OE1-CB 3.28Å; E230-N246 WeakPolarHBondContact OE1-CB 3.26Å; E230-N246 PolarHBondContact OE1-ND2 2.95Å; F233-N246 HydrophobicContact CE2-CB 4.4Å; F233-N246 HydrophobicContact CZ-CB 4.01Å; N246-A248 PolarHBondContact O-N 3.36Å; N246-A248 VanDerWaalsContact O-N 3.07Å; N246-A248 WeakPolarHBondContact OD1-CB 3.39Å; N246-A248 PolarHBondContact OD1-N 2.83Å; N246-K249 HydrophobicContact CB-CG 3.87Å; N246-K249 WeakPolarHBondContact O-CB 3.44Å; N246-K249 PolarHBondContact O-N 3.37Å; N246-H250 PolarHBondContact O-CD2 2.89Å
247P98.3Very high98.2Very high35 Ų3553.3 Ų53.323%0.22730%0.304CS..G310 helixtrans-53-31.7177.8-26.535.1000114.1I226 K249 H250 I254I226-P247 HydrophobicContact CG2-CG 3.53Å; P247-K249 PolarHBondContact O-N 2.61Å; P247-H250 PolarHBondContact O-N 3.05Å; P247-I254 HydrophobicContact CB-CB 4.2Å; P247-I254 HydrophobicContact CB-CD1 4.35Å; P247-I254 HydrophobicContact CB-CG1 4.35Å; P247-I254 HydrophobicContact CG-CB 4.45Å; P247-I254 HydrophobicContact CG-CD1 4.26Å; P247-I254 HydrophobicContact CG-CG1 4.15Å
248A97Very high98.2Very high82 Ų8249.1 Ų49.168%0.67828%0.283SS*.G310 helixtrans-69.2-12.2-179.500000114N246 H250N246-A248 PolarHBondContact O-N 3.36Å; N246-A248 VanDerWaalsContact O-N 3.07Å; N246-A248 WeakPolarHBondContact OD1-CB 3.39Å; N246-A248 PolarHBondContact OD1-N 2.83Å; A248-H250 VanDerWaalsContact C-N 3.35Å
249K97.9Very high98.3Very high146 Ų14648.5 Ų48.564%0.63528%0.276SS*.G310 helixtrans-91.43.5177.8-60.5-68.9-175.8174.10113.2E230 N246 P247E230-K249 WeakPolarHBondContact OE1-CE 3.18Å; N246-K249 HydrophobicContact CB-CG 3.87Å; N246-K249 WeakPolarHBondContact O-CB 3.44Å; N246-K249 PolarHBondContact O-N 3.37Å; P247-K249 PolarHBondContact O-N 2.61Å
250H97.8Very high98.3Very high78 Ų7853.6 Ų53.636%0.36130%0.3SS..  trans-122140.6-179-63.1-87.2000111.2I245 N246 P247 A248 V257I245-H250 WeakPolarHBondContact CG2-NE2 3.31Å; N246-H250 PolarHBondContact O-CD2 2.89Å; P247-H250 PolarHBondContact O-N 3.05Å; A248-H250 VanDerWaalsContact C-N 3.35Å; H250-V257 HydrophobicContact CB-CG2 3.9Å
251S96.9Very high98.3Very high130 Ų13056.2 Ų56.291%0.90931%0.311SS*.SBendtrans-81.4-27174.254.60000112.8
252K97.9Very high98.3Very high89 Ų8956.4 Ų56.439%0.38731%0.312SS..SBendtrans-80.8151.9175.2-65.4-177.1-175.3175.30110.7I254 V257 E260K252-I254 PolarHBondContact O-N 3.27Å; K252-V257 HydrophobicContact CB-CG2 4.03Å; K252-E260 IonicContact NZ-OE1 3.01Å; K252-E260 PolarHBondContact NZ-OE1 3.09Å; K252-E260 IonicContact NZ-OE2 2.77Å; K252-E260 PolarHBondContact NZ-OE2 3.23Å
253P98.3Very high98.3Very high63 Ų6360.1 Ų60.141%0.40933%0.329SS..  trans-51.5134.8166.5-24.233.5000110.9Q255 Q256 V257P253-Q255 PolarHBondContact O-N 3.32Å; P253-Q255 VanDerWaalsContact O-N 3.1Å; P253-Q256 HydrophobicContact CB-CG 4.42Å; P253-Q256 WeakPolarHBondContact O-CB 3.17Å; P253-Q256 PolarHBondContact O-N 3.29Å; P253-V257 PolarHBondContact O-N 2.98Å
254I98.6Very high98.2Very high7 Ų758.6 Ų58.64%0.03633%0.328CS..Hα-helixtrans-56.5-34.9-171.5-173.565.7000112.7I226 I245 P247 K252 Q256 V257 I258 Q281I226-I254 HydrophobicContact CG2-CG1 4.31Å; I245-I254 HydrophobicContact CG2-CD1 3.57Å; P247-I254 HydrophobicContact CB-CB 4.2Å; P247-I254 HydrophobicContact CB-CD1 4.35Å; P247-I254 HydrophobicContact CB-CG1 4.35Å; P247-I254 HydrophobicContact CG-CB 4.45Å; P247-I254 HydrophobicContact CG-CD1 4.26Å; P247-I254 HydrophobicContact CG-CG1 4.15Å; K252-I254 PolarHBondContact O-N 3.27Å; I254-Q256 PolarHBondContact O-N 3.42Å; I254-V257 HydrophobicContact CD1-CB 4.34Å; I254-V257 WeakPolarHBondContact O-CB 3.23Å; I254-V257 PolarHBondContact O-N 2.9Å; I254-V257 VanDerWaalsContact O-N 3.1Å; I254-I258 HydrophobicContact CG1-CG1 4.3Å; I254-I258 WeakPolarHBondContact O-CG1 3.27Å; I254-I258 PolarHBondContact O-N 3.04Å; I254-Q281 HydrophobicContact CG2-CB 4.03Å; I254-Q281 HydrophobicContact CG2-CG 3.92Å
255Q98.6Very high98.2Very high28 Ų2857.2 Ų57.213%0.13132%0.319CS..Hα-helixtrans-63-30.1178.168.6-88.642.500113.3P253 V259 Q281 E284 S285P253-Q255 PolarHBondContact O-N 3.32Å; P253-Q255 VanDerWaalsContact O-N 3.1Å; Q255-V259 WeakPolarHBondContact O-CB 3.31Å; Q255-V259 VanDerWaalsContact O-CG2 3.23Å; Q255-V259 WeakPolarHBondContact O-CG2 3.3Å; Q255-V259 PolarHBondContact O-N 3.36Å; Q255-Q281 HydrophobicContact CB-CB 4.49Å; Q255-Q281 WeakPolarHBondContact CB-O 3.1Å; Q255-E284 HydrophobicContact CB-CB 4.09Å; Q255-E284 HydrophobicContact CG-CB 3.87Å; Q255-E284 PolarHBondContact NE2-OE2 3.15Å; Q255-S285 WeakPolarHBondContact CA-OG 3.28Å; Q255-S285 WeakPolarHBondContact CB-OG 3.46Å
256Q98.7Very high98.2Very high94 Ų9456.4 Ų56.444%0.43932%0.315SS..Hα-helixtrans-73.3-39.7174.6-63.5-178.91.100110.9P253 I254 I258 V259 E260P253-Q256 HydrophobicContact CB-CG 4.42Å; P253-Q256 WeakPolarHBondContact O-CB 3.17Å; P253-Q256 PolarHBondContact O-N 3.29Å; I254-Q256 PolarHBondContact O-N 3.42Å; Q256-I258 VanDerWaalsContact C-N 3.34Å; Q256-I258 PolarHBondContact O-N 3.3Å; Q256-V259 PolarHBondContact O-N 3.23Å; Q256-E260 WeakPolarHBondContact O-CB 3.13Å; Q256-E260 VanDerWaalsContact O-CG 3.3Å; Q256-E260 WeakPolarHBondContact O-CG 3.29Å; Q256-E260 PolarHBondContact O-N 3.13Å
257V98.7Very high98.3Very high11 Ų1156.7 Ų56.77%0.06732%0.316CS..Hα-helixtrans-59.2-47.8174.4-179.10000110.2H250 K252 P253 I254 E260 I261H250-V257 HydrophobicContact CB-CG2 3.9Å; K252-V257 HydrophobicContact CB-CG2 4.03Å; P253-V257 PolarHBondContact O-N 2.98Å; I254-V257 HydrophobicContact CD1-CB 4.34Å; I254-V257 WeakPolarHBondContact O-CB 3.23Å; I254-V257 PolarHBondContact O-N 2.9Å; I254-V257 VanDerWaalsContact O-N 3.1Å; V257-E260 PolarHBondContact O-N 2.87Å; V257-I261 WeakPolarHBondContact O-CG1 3.27Å; V257-I261 WeakPolarHBondContact O-CG2 3.31Å; V257-I261 PolarHBondContact O-N 2.85Å
258I98.7Very high98.3Very high0 Ų056.1 Ų56.10%031%0.31CS..Hα-helixtrans-61.4-46.9178.5-62.9-61000111.1W202 I224 I226 I245 I254 Q256 E260 I261 T262 C266W202-I258 HydrophobicContact CZ2-CG1 4.47Å; I224-I258 HydrophobicContact CD1-CD1 4.4Å; I224-I258 HydrophobicContact CG2-CD1 3.89Å; I226-I258 HydrophobicContact CD1-CD1 4.41Å; I226-I258 HydrophobicContact CG1-CD1 4.36Å; I245-I258 HydrophobicContact CD1-CD1 3.77Å; I254-I258 HydrophobicContact CG1-CG1 4.3Å; I254-I258 WeakPolarHBondContact O-CG1 3.27Å; I254-I258 PolarHBondContact O-N 3.04Å; Q256-I258 VanDerWaalsContact C-N 3.34Å; Q256-I258 PolarHBondContact O-N 3.3Å; I258-E260 VanDerWaalsContact C-N 3.3Å; I258-E260 PolarHBondContact O-N 2.87Å; I258-I261 HydrophobicContact CD1-CD1 4.17Å; I258-I261 WeakPolarHBondContact O-CG1 3.03Å; I258-I261 PolarHBondContact O-N 3.47Å; I258-T262 HydrophobicContact CG2-CG2 4.37Å; I258-T262 WeakPolarHBondContact O-CB 3.21Å; I258-T262 WeakPolarHBondContact O-CG2 3.31Å; I258-T262 PolarHBondContact O-N 2.8Å; I258-T262 VanDerWaalsContact O-N 3.12Å; I258-T262 PolarHBondContact O-OG1 3.25Å; I258-C266 WeakPolarHBondContact CG2-SG 3.42Å
259V98.7Very high98.4Very high45 Ų4552.2 Ų52.227%0.27328%0.278SS..Hα-helixtrans-58.7-42177.5166.40000111.7Q255 Q256 D263 G264Q255-V259 WeakPolarHBondContact O-CB 3.31Å; Q255-V259 VanDerWaalsContact O-CG2 3.23Å; Q255-V259 WeakPolarHBondContact O-CG2 3.3Å; Q255-V259 PolarHBondContact O-N 3.36Å; Q256-V259 PolarHBondContact O-N 3.23Å; V259-D263 PolarHBondContact O-N 2.87Å; V259-D263 VanDerWaalsContact O-N 3.17Å; V259-G264 PolarHBondContact O-N 2.89Å
260E98.4Very high98.4Very high110 Ų11045.3 Ų45.351%0.51425%0.247SC..Hα-helixtrans-64.6-48.6179-75.5171.7-167.100112.1K252 Q256 V257 I258 T262 D263K252-E260 IonicContact NZ-OE1 3.01Å; K252-E260 PolarHBondContact NZ-OE1 3.09Å; K252-E260 IonicContact NZ-OE2 2.77Å; K252-E260 PolarHBondContact NZ-OE2 3.23Å; Q256-E260 WeakPolarHBondContact O-CB 3.13Å; Q256-E260 VanDerWaalsContact O-CG 3.3Å; Q256-E260 WeakPolarHBondContact O-CG 3.29Å; Q256-E260 PolarHBondContact O-N 3.13Å; V257-E260 PolarHBondContact O-N 2.87Å; I258-E260 VanDerWaalsContact C-N 3.3Å; I258-E260 PolarHBondContact O-N 2.87Å; E260-T262 PolarHBondContact O-N 3.45Å; E260-D263 PolarHBondContact O-N 2.85Å
261I98.1Very high98.5Very high65 Ų6541.6 Ų41.633%0.33323%0.23SC..Hα-helixtrans-76.3-10.4-176.771178.8000113.8R222 I224 I245 V257 I258R222-I261 PolarHBondContact NH1-O 2.85Å; R222-I261 PolarHBondContact NH2-O 2.85Å; I224-I261 HydrophobicContact CD1-CD1 4.16Å; I245-I261 HydrophobicContact CD1-CD1 3.45Å; I245-I261 VanDerWaalsContact CD1-CD1 3.45Å; V257-I261 WeakPolarHBondContact O-CG1 3.27Å; V257-I261 WeakPolarHBondContact O-CG2 3.31Å; V257-I261 PolarHBondContact O-N 2.85Å; I258-I261 HydrophobicContact CD1-CD1 4.17Å; I258-I261 WeakPolarHBondContact O-CG1 3.03Å; I258-I261 PolarHBondContact O-N 3.47Å
262T98.6Very high98.6Very high12 Ų1236.4 Ų36.47%0.07419%0.194CC..THydrogen-bonded Turntrans-1115.3178.8580000113.2I198 I224 I258 E260 G264 G265I198-T262 HydrophobicContact CD1-CG2 4.36Å; I198-T262 HydrophobicContact CG2-CG2 3.91Å; I224-T262 HydrophobicContact CD1-CG2 3.7Å; I258-T262 HydrophobicContact CG2-CG2 4.37Å; I258-T262 WeakPolarHBondContact O-CB 3.21Å; I258-T262 WeakPolarHBondContact O-CG2 3.31Å; I258-T262 PolarHBondContact O-N 2.8Å; I258-T262 VanDerWaalsContact O-N 3.12Å; I258-T262 PolarHBondContact O-OG1 3.25Å; E260-T262 PolarHBondContact O-N 3.45Å; T262-G264 VanDerWaalsContact C-N 3.33Å; T262-G264 PolarHBondContact O-N 2.75Å; T262-G265 WeakPolarHBondContact OG1-CA 3.03Å; T262-G265 PolarHBondContact OG1-N 3.08Å; T262-G265 PolarHBondContact OG1-O 2.68Å
263D97.8Very high98.5Very high150 Ų15036.2 Ų36.280%0.80220%0.2SC*.THydrogen-bonded Turntrans53.845.8-178.6-166.530.3000113.2V259 E260V259-D263 PolarHBondContact O-N 2.87Å; V259-D263 VanDerWaalsContact O-N 3.17Å; E260-D263 PolarHBondContact O-N 2.85Å
264G98.2Very high98.3Very high24 Ų2433.9 Ų33.925%0.24719%0.187CC..SBendtrans131.3-11.317400000116.1V259 T262 H287V259-G264 PolarHBondContact O-N 2.89Å; T262-G264 VanDerWaalsContact C-N 3.33Å; T262-G264 PolarHBondContact O-N 2.75Å; G264-H287 WeakPolarHBondContact O-CA 3.4Å
265G98.7Very high98.2Very high1 Ų137.2 Ų37.21%0.0121%0.205CC..  trans124.4169.8177.600000113.7T262 S285 H287T262-G265 WeakPolarHBondContact OG1-CA 3.03Å; T262-G265 PolarHBondContact OG1-N 3.08Å; T262-G265 PolarHBondContact OG1-O 2.68Å; G265-S285 CarbonylContact C-O 3.49Å; G265-S285 WeakPolarHBondContact CA-O 3.41Å; G265-H287 PolarHBondContact O-CD2 3.42Å
266C98.9Very high98.2Very high0 Ų037.9 Ų37.90%021%0.211CC..BIsolated β-bridgetrans-80.7149.2177.6-57.50000112.1I198 A200 I258 Y268 T269 S285 C286 H287I198-C266 HydrophobicContact CG2-CB 4.14Å; A200-C266 HydrophobicContact CB-CB 4.38Å; A200-C266 VanDerWaalsContact CB-SG 3.52Å; I258-C266 WeakPolarHBondContact CG2-SG 3.42Å; C266-Y268 VanDerWaalsContact C-N 3.32Å; C266-T269 HydrophobicContact CB-CG2 3.86Å; C266-S285 PolarHBondContact N-O 3.32Å; C266-C286 CarbonylContact O-C 3.59Å; C266-C286 WeakPolarHBondContact O-CA 3.36Å; C266-H287 PolarHBondContact O-N 3.32Å
267D98.9Very high98.2Very high21 Ų2135.7 Ų35.711%0.11221%0.209CC..SBendtrans-65.6-39.9172.2-59.3-54.5000110.8S197 I198 R221 W290 G291 V292S197-D267 VanDerWaalsContact CA-OD2 3.28Å; S197-D267 WeakPolarHBondContact CA-OD2 3.33Å; I198-D267 PolarHBondContact N-OD2 2.97Å; I198-D267 PolarHBondContact O-N 3.43Å; R221-D267 IonicContact NH1-OD2 2.8Å; D267-W290 PolarHBondContact OD1-NE1 2.56Å; D267-G291 CarbonylContact O-C 3.37Å; D267-G291 VanDerWaalsContact O-CA 3.31Å; D267-G291 WeakPolarHBondContact O-CA 3.43Å; D267-V292 PolarHBondContact O-N 2.9Å
268Y99Very high98.2Very high23 Ų2336.4 Ų36.49%0.0921%0.213CC..EExtended strand (participates in β ladder)trans-132.7140.2177.3-56.4-87.9000111.7A191 K192 V193 S197 I198 C199 A200 C266 V292A191-Y268 HydrophobicContact CB-CD1 3.78Å; A191-Y268 HydrophobicContact CB-CE1 4.2Å; A191-Y268 WeakPolarHBondContact O-CE1 3.47Å; K192-Y268 PolarHBondContact O-OH 2.85Å; V193-Y268 HydrophobicContact CB-CD2 4.31Å; V193-Y268 HydrophobicContact CB-CE2 4.33Å; V193-Y268 HydrophobicContact CG1-CD2 4.06Å; V193-Y268 HydrophobicContact CG1-CE2 4.18Å; V193-Y268 HydrophobicContact CG2-CD1 4.26Å; V193-Y268 HydrophobicContact CG2-CD2 4Å; V193-Y268 HydrophobicContact CG2-CE2 4.41Å; V193-Y268 HydrophobicContact CG2-CG 3.93Å; S197-Y268 WeakPolarHBondContact OG-CE2 3.42Å; I198-Y268 PolarHBondContact O-N 3.17Å; I198-Y268 VanDerWaalsContact O-N 3.15Å; C199-Y268 CarbonylContact C-O 3.5Å; C199-Y268 VanDerWaalsContact CA-O 3.26Å; C199-Y268 WeakPolarHBondContact CA-O 3.47Å; A200-Y268 PolarHBondContact N-O 3.29Å; C266-Y268 VanDerWaalsContact C-N 3.32Å; Y268-V292 CarbonylContact C-O 3.49Å; Y268-V292 VanDerWaalsContact CA-O 3.3Å; Y268-V292 WeakPolarHBondContact CA-O 3.17Å; Y268-V292 HydrophobicContact CD1-CB 3.8Å; Y268-V292 HydrophobicContact CD1-CG1 4.47Å; Y268-V292 HydrophobicContact CD1-CG2 4.34Å; Y268-V292 HydrophobicContact CE1-CB 4.09Å; Y268-V292 HydrophobicContact CE1-CG2 4.13Å
269T99Very high98.2Very high0 Ų036.6 Ų36.60%021%0.214CC..EExtended strand (participates in β ladder)trans-128147.6169.6660000111.5A200 W202 C266 A282 C286 V292 S293 V294A200-T269 HydrophobicContact CB-CG2 4.19Å; A200-T269 CarbonylContact O-C 3.46Å; A200-T269 VanDerWaalsContact O-CA 3.28Å; A200-T269 WeakPolarHBondContact O-CA 3.25Å; W202-T269 HydrophobicContact CH2-CG2 4.2Å; W202-T269 HydrophobicContact CZ3-CG2 3.81Å; C266-T269 HydrophobicContact CB-CG2 3.86Å; T269-A282 WeakPolarHBondContact CB-O 3.13Å; T269-A282 WeakPolarHBondContact CG2-O 3.31Å; T269-A282 VanDerWaalsContact OG1-C 3.26Å; T269-A282 PolarHBondContact OG1-O 3.41Å; T269-C286 VanDerWaalsContact CG2-SG 3.59Å; T269-C286 PolarHBondContact OG1-SG 2.9Å; T269-V292 PolarHBondContact N-O 2.59Å; T269-S293 CarbonylContact O-C 3.59Å; T269-S293 WeakPolarHBondContact O-CA 3.38Å; T269-S293 WeakPolarHBondContact OG1-CA 3.25Å; T269-S293 VanDerWaalsContact OG1-CB 3.25Å; T269-S293 WeakPolarHBondContact OG1-CB 3.48Å; T269-S293 PolarHBondContact OG1-OG 3.35Å; T269-V294 PolarHBondContact O-N 2.78Å
270F99Very high98.2Very high0 Ų038.7 Ų38.70%022%0.217CC..EExtended strand (participates in β ladder)trans-131.8122.3-177.2-57.9-91.6000109.5A186 V187 A191 V193 C199 A200 V201 W202 V211 V294 I296A186-F270 HydrophobicContact CB-CD1 4.36Å; A186-F270 HydrophobicContact CB-CE1 4.35Å; V187-F270 HydrophobicContact CG2-CE1 4.18Å; V187-F270 HydrophobicContact CG2-CZ 3.99Å; A191-F270 HydrophobicContact CB-CE1 3.66Å; A191-F270 HydrophobicContact CB-CZ 3.62Å; V193-F270 HydrophobicContact CG2-CE2 4.26Å; V193-F270 HydrophobicContact CG2-CZ 3.7Å; C199-F270 HydrophobicContact CB-CE2 4.41Å; A200-F270 PolarHBondContact O-N 3.17Å; V201-F270 WeakPolarHBondContact CA-O 3.21Å; V201-F270 HydrophobicContact CG1-CB 4.46Å; V201-F270 HydrophobicContact CG2-CD2 4.25Å; W202-F270 PolarHBondContact N-O 3.04Å; V211-F270 HydrophobicContact CG1-CB 3.81Å; V211-F270 HydrophobicContact CG1-CD1 3.9Å; V211-F270 HydrophobicContact CG1-CD2 3.47Å; V211-F270 VanDerWaalsContact CG1-CD2 3.47Å; V211-F270 HydrophobicContact CG1-CE1 4.32Å; V211-F270 HydrophobicContact CG1-CE2 3.95Å; V211-F270 HydrophobicContact CG1-CG 3.44Å; V211-F270 VanDerWaalsContact CG1-CG 3.44Å; V211-F270 HydrophobicContact CG1-CZ 4.34Å; V211-F270 HydrophobicContact CG2-CB 4.35Å; V211-F270 HydrophobicContact CG2-CD1 4.36Å; V211-F270 HydrophobicContact CG2-CG 4.4Å; F270-V294 WeakPolarHBondContact CA-O 3.49Å; F270-V294 HydrophobicContact CD1-CB 3.81Å; F270-V294 HydrophobicContact CD1-CG1 4.42Å; F270-V294 HydrophobicContact CD1-CG2 4.16Å; F270-V294 HydrophobicContact CE1-CB 4.15Å; F270-V294 HydrophobicContact CE1-CG2 4Å; F270-I296 HydrophobicContact CB-CD1 4.34Å; F270-I296 HydrophobicContact CD1-CD1 4.08Å
271E98.8Very high98.2Very high0 Ų035.8 Ų35.80%020%0.204CC..EExtended strand (participates in β ladder)trans-98.5116.2173.1-157-78.6174.100109.6W202 V273 G274 N275 T278 M279 A282 V294 I296 G297W202-E271 HydrophobicContact CB-CG 4.31Å; E271-V273 VanDerWaalsContact OE1-CB 3.27Å; E271-V273 WeakPolarHBondContact OE1-CB 3.44Å; E271-V273 PolarHBondContact OE1-N 3.31Å; E271-V273 PolarHBondContact OE2-N 3.39Å; E271-V273 VanDerWaalsContact OE2-N 3.08Å; E271-G274 PolarHBondContact OE1-N 2.9Å; E271-G274 VanDerWaalsContact OE1-N 3.08Å; E271-G274 PolarHBondContact OE2-N 3.39Å; E271-N275 PolarHBondContact OE1-N 2.79Å; E271-N275 VanDerWaalsContact OE1-N 3.12Å; E271-T278 PolarHBondContact OE1-OG1 3.07Å; E271-M279 HydrophobicContact CB-CG 4.11Å; E271-M279 HydrophobicContact CG-CB 4.29Å; E271-M279 HydrophobicContact CG-CG 3.65Å; E271-A282 HydrophobicContact CB-CB 4.3Å; E271-V294 PolarHBondContact N-O 2.89Å; E271-I296 WeakPolarHBondContact O-CA 3.13Å; E271-I296 VanDerWaalsContact O-CB 3.31Å; E271-I296 WeakPolarHBondContact O-CB 3.45Å; E271-I296 PolarHBondContact O-N 3.05Å; E271-G297 PolarHBondContact O-N 2.77Å
272C98.4Very high98.2Very high22 Ų2232.7 Ų32.715%0.14919%0.188CC..  trans-121.123.8-174.9-50.10000112.4W202 V207W202-C272 WeakPolarHBondContact O-CA 3.46Å; W202-C272 VanDerWaalsContact O-CB 3.23Å; W202-C272 WeakPolarHBondContact O-CB 3.38Å; W202-C272 PolarHBondContact O-N 3.38Å; V207-C272 HydrophobicContact CB-CB 4.25Å; V207-C272 HydrophobicContact CG1-CB 3.98Å
273V96.2Very high98.2Very high85 Ų8532.1 Ų32.152%0.51518%0.184SC..SBendtrans-108-44.6-178.5-175.40000111G203 E271 N275G203-V273 VanDerWaalsContact CA-CG2 3.49Å; E271-V273 VanDerWaalsContact OE1-CB 3.27Å; E271-V273 WeakPolarHBondContact OE1-CB 3.44Å; E271-V273 PolarHBondContact OE1-N 3.31Å; E271-V273 PolarHBondContact OE2-N 3.39Å; E271-V273 VanDerWaalsContact OE2-N 3.08Å; V273-N275 HydrophobicContact CG1-CB 4.29Å
274G95.1Very high98.3Very high13 Ų1326 Ų2613%0.13415%0.151CC..  trans93.727.3-170.900000112.6E271 V298 A299E271-G274 PolarHBondContact OE1-N 2.9Å; E271-G274 VanDerWaalsContact OE1-N 3.08Å; E271-G274 PolarHBondContact OE2-N 3.39Å; G274-V298 WeakPolarHBondContact CA-O 3.38Å; G274-A299 WeakPolarHBondContact O-CA 3.43Å
275N96.3Very high98.3Very high78 Ų7824.9 Ų24.942%0.41714%0.139SC..  trans-114124.6176.4177.8-54.9000110.6E271 V273 A277 T278 M279E271-N275 PolarHBondContact OE1-N 2.79Å; E271-N275 VanDerWaalsContact OE1-N 3.12Å; V273-N275 HydrophobicContact CG1-CB 4.29Å; N275-A277 PolarHBondContact O-N 2.93Å; N275-A277 VanDerWaalsContact O-N 3.17Å; N275-A277 WeakPolarHBondContact OD1-CA 3.3Å; N275-A277 WeakPolarHBondContact OD1-CB 2.91Å; N275-A277 PolarHBondContact OD1-N 2.8Å; N275-T278 VanDerWaalsContact CB-OG1 3.31Å; N275-T278 WeakPolarHBondContact CB-OG1 3.5Å; N275-T278 PolarHBondContact O-N 3.15Å; N275-T278 VanDerWaalsContact O-N 3.09Å; N275-T278 PolarHBondContact O-OG1 3.15Å; N275-T278 PolarHBondContact OD1-N 3.02Å; N275-M279 VanDerWaalsContact O-CG 3.31Å; N275-M279 WeakPolarHBondContact O-CG 3.47Å; N275-M279 PolarHBondContact O-N 3.42Å
276V98Very high98.3Very high41 Ų4124.8 Ų24.825%0.24814%0.139CC..Hα-helixtrans-63.2-26.1-174.7-640000113.5M279 R280 A299 A303 I305V276-M279 HydrophobicContact CG1-SD 4.31Å; V276-R280 PolarHBondContact O-N 3.04Å; V276-R280 VanDerWaalsContact O-N 3.11Å; V276-A299 HydrophobicContact CG1-CB 3.92Å; V276-A303 HydrophobicContact CG1-CB 3.74Å; V276-I305 HydrophobicContact CB-CG2 4.12Å; V276-I305 HydrophobicContact CG1-CG2 3.92Å
277A98.3Very high98.3Very high48 Ų4826.7 Ų26.740%0.39715%0.147SC..Hα-helixtrans-71.9-42.5174.300000111.4N275 M279 R280 Q281N275-A277 PolarHBondContact O-N 2.93Å; N275-A277 VanDerWaalsContact O-N 3.17Å; N275-A277 WeakPolarHBondContact OD1-CA 3.3Å; N275-A277 WeakPolarHBondContact OD1-CB 2.91Å; N275-A277 PolarHBondContact OD1-N 2.8Å; A277-M279 VanDerWaalsContact C-N 3.32Å; A277-R280 PolarHBondContact O-N 3.31Å; A277-Q281 WeakPolarHBondContact O-CG 3.44Å; A277-Q281 PolarHBondContact O-N 3.01Å
278T98.6Very high98.3Very high26 Ų2631.9 Ų31.916%0.1617%0.169CC..Hα-helixtrans-68.8-31.3173.943.20000111.7E271 N275 Q281 A282E271-T278 PolarHBondContact OE1-OG1 3.07Å; N275-T278 VanDerWaalsContact CB-OG1 3.31Å; N275-T278 WeakPolarHBondContact CB-OG1 3.5Å; N275-T278 PolarHBondContact O-N 3.15Å; N275-T278 VanDerWaalsContact O-N 3.09Å; N275-T278 PolarHBondContact O-OG1 3.15Å; N275-T278 PolarHBondContact OD1-N 3.02Å; T278-Q281 PolarHBondContact O-N 3.19Å; T278-A282 WeakPolarHBondContact O-CB 3.38Å; T278-A282 PolarHBondContact O-N 3.24Å
279M98.8Very high98.3Very high5 Ų532.9 Ų32.93%0.02519%0.186CC..Hα-helixtrans-61.7-45.2172.8-66.7173.7-171.100111.3E271 N275 V276 A277 A282 L283 V295 G297 A299 I305 W318E271-M279 HydrophobicContact CB-CG 4.11Å; E271-M279 HydrophobicContact CG-CB 4.29Å; E271-M279 HydrophobicContact CG-CG 3.65Å; N275-M279 VanDerWaalsContact O-CG 3.31Å; N275-M279 WeakPolarHBondContact O-CG 3.47Å; N275-M279 PolarHBondContact O-N 3.42Å; V276-M279 HydrophobicContact CG1-SD 4.31Å; A277-M279 VanDerWaalsContact C-N 3.32Å; M279-A282 PolarHBondContact O-N 3.36Å; M279-L283 PolarHBondContact O-N 2.84Å; M279-L283 VanDerWaalsContact O-N 3.11Å; M279-V295 HydrophobicContact CB-CG2 4.38Å; M279-V295 HydrophobicContact CE-CG1 3.6Å; M279-V295 HydrophobicContact CG-CG1 4.05Å; M279-V295 HydrophobicContact CG-CG2 4.18Å; M279-V295 HydrophobicContact SD-CG1 3.63Å; M279-V295 HydrophobicContact SD-CG2 4.35Å; M279-G297 VanDerWaalsContact CE-O 3.28Å; M279-G297 WeakPolarHBondContact CE-O 3.45Å; M279-A299 HydrophobicContact CE-CB 3.96Å; M279-I305 HydrophobicContact CB-CG2 3.99Å; M279-I305 HydrophobicContact CG-CG2 4.4Å; M279-I305 HydrophobicContact SD-CG2 3.46Å; M279-I305 WeakPolarHBondContact SD-CG2 3.48Å; M279-W318 HydrophobicContact CB-CZ2 4.15Å
280R98.8Very high98.3Very high89 Ų8939.8 Ų39.834%0.33621%0.212SC..Hα-helixtrans-62.3-47173.6176.7-179.2-179.5168.5-4.2111.7V276 A277 A282 L283 E284 S306V276-R280 PolarHBondContact O-N 3.04Å; V276-R280 VanDerWaalsContact O-N 3.11Å; A277-R280 PolarHBondContact O-N 3.31Å; R280-A282 VanDerWaalsContact C-N 3.3Å; R280-A282 PolarHBondContact O-N 3.42Å; R280-L283 PolarHBondContact O-N 3.33Å; R280-E284 HydrophobicContact CG-CG 4.33Å; R280-E284 IonicContact CZ-OE1 3.66Å; R280-E284 IonicContact NE-OE1 3.51Å; R280-E284 PolarHBondContact NE-OE1 3.39Å; R280-E284 IonicContact NE-OE2 2.63Å; R280-E284 IonicContact NH2-OE1 2.72Å; R280-E284 PolarHBondContact NH2-OE1 3Å; R280-E284 WeakPolarHBondContact O-CG 3.48Å; R280-E284 PolarHBondContact O-N 3.22Å; R280-S306 WeakPolarHBondContact CD-O 3.45Å; R280-S306 VanDerWaalsContact CG-O 3.23Å; R280-S306 WeakPolarHBondContact CG-O 3.41Å
281Q98.8Very high98.3Very high48 Ų4839.8 Ų39.822%0.22421%0.212CC..Hα-helixtrans-58.5-43.4178.2-69.5164.27.800111.3W202 I254 Q255 A277 T278 L283 E284 S285W202-Q281 HydrophobicContact CZ2-CB 4.47Å; I254-Q281 HydrophobicContact CG2-CB 4.03Å; I254-Q281 HydrophobicContact CG2-CG 3.92Å; Q255-Q281 HydrophobicContact CB-CB 4.49Å; Q255-Q281 WeakPolarHBondContact CB-O 3.1Å; A277-Q281 WeakPolarHBondContact O-CG 3.44Å; A277-Q281 PolarHBondContact O-N 3.01Å; T278-Q281 PolarHBondContact O-N 3.19Å; Q281-L283 PolarHBondContact O-N 3.45Å; Q281-E284 PolarHBondContact O-N 2.81Å; Q281-S285 WeakPolarHBondContact O-CB 3.34Å; Q281-S285 PolarHBondContact O-N 2.9Å; Q281-S285 PolarHBondContact O-OG 2.99Å
282A98.9Very high98.3Very high0 Ų040.5 Ų40.50%022%0.216CC..Hα-helixtrans-60.5-45.2177.300000111.9W202 T269 E271 T278 M279 R280 S285W202-A282 HydrophobicContact CD2-CB 3.97Å; W202-A282 HydrophobicContact CE3-CB 3.6Å; W202-A282 HydrophobicContact CH2-CB 4.22Å; W202-A282 HydrophobicContact CZ2-CB 4.48Å; W202-A282 HydrophobicContact CZ3-CB 3.77Å; T269-A282 WeakPolarHBondContact CB-O 3.13Å; T269-A282 WeakPolarHBondContact CG2-O 3.31Å; T269-A282 VanDerWaalsContact OG1-C 3.26Å; T269-A282 PolarHBondContact OG1-O 3.41Å; E271-A282 HydrophobicContact CB-CB 4.3Å; T278-A282 WeakPolarHBondContact O-CB 3.38Å; T278-A282 PolarHBondContact O-N 3.24Å; M279-A282 PolarHBondContact O-N 3.36Å; R280-A282 VanDerWaalsContact C-N 3.3Å; R280-A282 PolarHBondContact O-N 3.42Å; A282-S285 PolarHBondContact O-N 2.83Å
283L98.9Very high98.3Very high0 Ų039.5 Ų39.50%021%0.209CC..Hα-helixtrans-61.9-49.1174.417969.6000112M279 R280 Q281 S285 C286 S293 T307 L312 R316 W318M279-L283 PolarHBondContact O-N 2.84Å; M279-L283 VanDerWaalsContact O-N 3.11Å; R280-L283 PolarHBondContact O-N 3.33Å; Q281-L283 PolarHBondContact O-N 3.45Å; L283-S285 PolarHBondContact O-N 3.3Å; L283-C286 VanDerWaalsContact O-CB 3.27Å; L283-C286 WeakPolarHBondContact O-CB 3.44Å; L283-C286 PolarHBondContact O-N 2.83Å; L283-C286 VanDerWaalsContact O-N 3.07Å; L283-S293 PolarHBondContact N-OG 2.89Å; L283-T307 HydrophobicContact CD2-CG2 3.58Å; L283-L312 HydrophobicContact CD1-CD2 4.26Å; L283-L312 HydrophobicContact CD2-CD2 4.25Å; L283-R316 HydrophobicContact CD1-CB 4.07Å; L283-R316 WeakPolarHBondContact O-CD 3.23Å; L283-R316 PolarHBondContact O-NE 3.29Å; L283-W318 HydrophobicContact CB-CD2 4.45Å; L283-W318 HydrophobicContact CB-CZ2 4.29Å; L283-W318 HydrophobicContact CD1-CB 3.96Å; L283-W318 HydrophobicContact CD1-CD2 4.35Å; L283-W318 HydrophobicContact CD1-CG 3.97Å; L283-W318 HydrophobicContact CD2-CD2 3.71Å; L283-W318 HydrophobicContact CD2-CE3 3.6Å; L283-W318 HydrophobicContact CD2-CG 4.19Å; L283-W318 HydrophobicContact CD2-CH2 4.1Å; L283-W318 HydrophobicContact CD2-CZ2 4.28Å; L283-W318 HydrophobicContact CD2-CZ3 3.81Å; L283-W318 HydrophobicContact CG-CD2 4.39Å
284E98.8Very high98.4Very high22 Ų2235.4 Ų35.410%0.10319%0.185CC..Hα-helixtrans-69.9-14.7-176.7-68.5179.1176.300113Q255 R280 Q281 T307 Q311Q255-E284 HydrophobicContact CB-CB 4.09Å; Q255-E284 HydrophobicContact CG-CB 3.87Å; Q255-E284 PolarHBondContact NE2-OE2 3.15Å; R280-E284 HydrophobicContact CG-CG 4.33Å; R280-E284 IonicContact CZ-OE1 3.66Å; R280-E284 IonicContact NE-OE1 3.51Å; R280-E284 PolarHBondContact NE-OE1 3.39Å; R280-E284 IonicContact NE-OE2 2.63Å; R280-E284 IonicContact NH2-OE1 2.72Å; R280-E284 PolarHBondContact NH2-OE1 3Å; R280-E284 WeakPolarHBondContact O-CG 3.48Å; R280-E284 PolarHBondContact O-N 3.22Å; Q281-E284 PolarHBondContact O-N 2.81Å; E284-T307 PolarHBondContact OE1-OG1 3.08Å; E284-T307 VanDerWaalsContact OE1-OG1 3.08Å; E284-Q311 HydrophobicContact CG-CG 4.24Å
285S98.8Very high98.6Very high0 Ų036 Ų360%019%0.186CC..THydrogen-bonded Turntrans-84.9-11.1172.5-55.40000113.9W202 Q255 G265 C266 Q281 A282 L283W202-S285 WeakPolarHBondContact CH2-OG 3.4Å; W202-S285 WeakPolarHBondContact CZ2-OG 3.22Å; Q255-S285 WeakPolarHBondContact CA-OG 3.28Å; Q255-S285 WeakPolarHBondContact CB-OG 3.46Å; G265-S285 CarbonylContact C-O 3.49Å; G265-S285 WeakPolarHBondContact CA-O 3.41Å; C266-S285 PolarHBondContact N-O 3.32Å; Q281-S285 WeakPolarHBondContact O-CB 3.34Å; Q281-S285 PolarHBondContact O-N 2.9Å; Q281-S285 PolarHBondContact O-OG 2.99Å; A282-S285 PolarHBondContact O-N 2.83Å; L283-S285 PolarHBondContact O-N 3.3Å
286C98.2Very high98.7Very high0 Ų033.1 Ų33.10%017%0.17CC..BIsolated β-bridgetrans-68.2150.9176.6-76.70000111.6C266 T269 L283 V292 R316C266-C286 CarbonylContact O-C 3.59Å; C266-C286 WeakPolarHBondContact O-CA 3.36Å; T269-C286 VanDerWaalsContact CG2-SG 3.59Å; T269-C286 PolarHBondContact OG1-SG 2.9Å; L283-C286 VanDerWaalsContact O-CB 3.27Å; L283-C286 WeakPolarHBondContact O-CB 3.44Å; L283-C286 PolarHBondContact O-N 2.83Å; L283-C286 VanDerWaalsContact O-N 3.07Å; C286-V292 VanDerWaalsContact SG-C 3.54Å; C286-R316 HydrophobicContact CB-CG 4.05Å; C286-R316 PolarHBondContact O-NE 3.43Å; C286-R316 PolarHBondContact O-NH2 3.4Å
287H98.8Very high98.6Very high39 Ų3931.9 Ų31.918%0.18117%0.166CC..PPolyproline II helixtrans-63.8137.8175.8-158.5-73.5000110.9G264 G265 C266 W290 G291G264-H287 WeakPolarHBondContact O-CA 3.4Å; G265-H287 PolarHBondContact O-CD2 3.42Å; C266-H287 PolarHBondContact O-N 3.32Å; H287-W290 HydrophobicContact CB-CZ2 4.3Å; H287-W290 AromaticContact CD2-CZ2 3.86Å; H287-W290 AromaticContact CE1-CH2 3.14Å; H287-W290 WeakPolarHBondContact CE1-CH2 3.48Å; H287-W290 AromaticContact CE1-CZ2 3.36Å; H287-W290 WeakPolarHBondContact CE1-CZ2 3.38Å; H287-W290 AromaticContact CE1-CZ3 3.85Å; H287-W290 AromaticContact CG-CE2 3.8Å; H287-W290 AromaticContact CG-CZ2 3.54Å; H287-W290 AromaticContact ND1-CE2 3.61Å; H287-W290 AromaticContact ND1-CH2 3.3Å; H287-W290 VanDerWaalsContact ND1-CH2 3.3Å; H287-W290 WeakPolarHBondContact ND1-CH2 3.32Å; H287-W290 AromaticContact ND1-CZ2 3.21Å; H287-W290 WeakPolarHBondContact ND1-CZ2 3.37Å; H287-W290 AromaticContact ND1-CZ3 3.76Å; H287-W290 AromaticContact NE2-CH2 3.86Å; H287-W290 AromaticContact NE2-CZ2 3.77Å; H287-G291 WeakPolarHBondContact O-CA 3.21Å; H287-G291 PolarHBondContact O-N 2.8Å
288K98.4Very high98.2Very high131 Ų13135 Ų3557%0.5718%0.18SC*.THydrogen-bonded Turntrans-61.2136.8171.5-169.7-172.475.2-177.10109.6T314K288-T314 WeakPolarHBondContact CG-O 3.41Å
289G98.7Very high97.9Very high43 Ų4335.2 Ų35.244%0.44318%0.184SC..THydrogen-bonded Turntrans102.7-44.4173.300000114.2T314 G315G289-T314 VanDerWaalsContact CA-O 3.32Å; G289-T314 WeakPolarHBondContact CA-O 3.27Å; G289-T314 PolarHBondContact N-O 2.79Å; G289-G315 CarbonylContact C-O 3.53Å; G289-G315 WeakPolarHBondContact O-CA 3.38Å; G289-G315 VanDerWaalsContact O-O 3.14Å
290W98.7Very high97.4Very high146 Ų14641 Ų4155%0.55321%0.211SC*.THydrogen-bonded Turntrans-140.3-8-173.859.687.3000115.5D267 H287D267-W290 PolarHBondContact OD1-NE1 2.56Å; H287-W290 HydrophobicContact CB-CZ2 4.3Å; H287-W290 AromaticContact CD2-CZ2 3.86Å; H287-W290 AromaticContact CE1-CH2 3.14Å; H287-W290 WeakPolarHBondContact CE1-CH2 3.48Å; H287-W290 AromaticContact CE1-CZ2 3.36Å; H287-W290 WeakPolarHBondContact CE1-CZ2 3.38Å; H287-W290 AromaticContact CE1-CZ3 3.85Å; H287-W290 AromaticContact CG-CE2 3.8Å; H287-W290 AromaticContact CG-CZ2 3.54Å; H287-W290 AromaticContact ND1-CE2 3.61Å; H287-W290 AromaticContact ND1-CH2 3.3Å; H287-W290 VanDerWaalsContact ND1-CH2 3.3Å; H287-W290 WeakPolarHBondContact ND1-CH2 3.32Å; H287-W290 AromaticContact ND1-CZ2 3.21Å; H287-W290 WeakPolarHBondContact ND1-CZ2 3.37Å; H287-W290 AromaticContact ND1-CZ3 3.76Å; H287-W290 AromaticContact NE2-CH2 3.86Å; H287-W290 AromaticContact NE2-CZ2 3.77Å
291G98.9Very high96.7Very high0 Ų039.6 Ų39.60%022%0.218CC..  trans-64.8140.6-17000000113.7D267 H287 R316 T317D267-G291 CarbonylContact O-C 3.37Å; D267-G291 VanDerWaalsContact O-CA 3.31Å; D267-G291 WeakPolarHBondContact O-CA 3.43Å; H287-G291 WeakPolarHBondContact O-CA 3.21Å; H287-G291 PolarHBondContact O-N 2.8Å; G291-R316 CarbonylContact O-C 3.57Å; G291-R316 VanDerWaalsContact O-CA 3.27Å; G291-R316 WeakPolarHBondContact O-CA 3.42Å; G291-T317 PolarHBondContact O-N 2.94Å
292V99Very high96.3Very high15 Ų1541.1 Ų41.19%0.09125%0.247CC..EExtended strand (participates in β ladder)trans-117.7120.8-176.9-178.90000110.8D267 Y268 T269 C286 V294 T317 K319D267-V292 PolarHBondContact O-N 2.9Å; Y268-V292 CarbonylContact C-O 3.49Å; Y268-V292 VanDerWaalsContact CA-O 3.3Å; Y268-V292 WeakPolarHBondContact CA-O 3.17Å; Y268-V292 HydrophobicContact CD1-CB 3.8Å; Y268-V292 HydrophobicContact CD1-CG1 4.47Å; Y268-V292 HydrophobicContact CD1-CG2 4.34Å; Y268-V292 HydrophobicContact CE1-CB 4.09Å; Y268-V292 HydrophobicContact CE1-CG2 4.13Å; T269-V292 PolarHBondContact N-O 2.59Å; C286-V292 VanDerWaalsContact SG-C 3.54Å; V292-V294 HydrophobicContact CG1-CG2 4.22Å; V292-T317 WeakPolarHBondContact CA-O 3.23Å; V292-K319 HydrophobicContact CG1-CD 3.84Å; V292-K319 HydrophobicContact CG1-CG 4.16Å
293S99Very high96Very high0 Ų043.3 Ų43.30%027%0.265CS..EExtended strand (participates in β ladder)trans-102.3127.3172.6179.30000110.9T269 L283 T317 K319T269-S293 CarbonylContact O-C 3.59Å; T269-S293 WeakPolarHBondContact O-CA 3.38Å; T269-S293 WeakPolarHBondContact OG1-CA 3.25Å; T269-S293 VanDerWaalsContact OG1-CB 3.25Å; T269-S293 WeakPolarHBondContact OG1-CB 3.48Å; T269-S293 PolarHBondContact OG1-OG 3.35Å; L283-S293 PolarHBondContact N-OG 2.89Å; S293-T317 PolarHBondContact N-O 2.76Å; S293-K319 PolarHBondContact O-N 3Å
294V99Very high96Very high0 Ų051.2 Ų51.20%030%0.302CS..EExtended strand (participates in β ladder)trans-111.8116.5179.5-173.10000110T190 A191 T269 F270 E271 V292 I296 K319 C321T190-V294 HydrophobicContact CG2-CG1 3.83Å; T190-V294 HydrophobicContact CG2-CG2 4.31Å; A191-V294 HydrophobicContact CB-CG2 3.95Å; T269-V294 PolarHBondContact O-N 2.78Å; F270-V294 WeakPolarHBondContact CA-O 3.49Å; F270-V294 HydrophobicContact CD1-CB 3.81Å; F270-V294 HydrophobicContact CD1-CG1 4.42Å; F270-V294 HydrophobicContact CD1-CG2 4.16Å; F270-V294 HydrophobicContact CE1-CB 4.15Å; F270-V294 HydrophobicContact CE1-CG2 4Å; E271-V294 PolarHBondContact N-O 2.89Å; V292-V294 HydrophobicContact CG1-CG2 4.22Å; V294-I296 HydrophobicContact CG1-CG1 3.99Å; V294-K319 CarbonylContact C-O 3.55Å; V294-K319 WeakPolarHBondContact CA-O 3.39Å; V294-K319 HydrophobicContact CG2-CD 4.3Å; V294-K319 HydrophobicContact CG2-CG 4Å; V294-C321 HydrophobicContact CG1-CB 3.77Å
295V98.8Very high96Very high25 Ų2553.9 Ų53.915%0.15232%0.316CS..EExtended strand (participates in β ladder)trans-83.1120170.6-178.50000109M279 W318 K319 G320 C321M279-V295 HydrophobicContact CB-CG2 4.38Å; M279-V295 HydrophobicContact CE-CG1 3.6Å; M279-V295 HydrophobicContact CG-CG1 4.05Å; M279-V295 HydrophobicContact CG-CG2 4.18Å; M279-V295 HydrophobicContact SD-CG1 3.63Å; M279-V295 HydrophobicContact SD-CG2 4.35Å; V295-W318 VanDerWaalsContact CG2-NE1 3.3Å; V295-K319 PolarHBondContact N-O 2.88Å; V295-G320 CarbonylContact O-C 3.36Å; V295-G320 WeakPolarHBondContact O-CA 3.32Å; V295-C321 PolarHBondContact O-N 2.8Å
296I98.4Very high95.9Very high18 Ų1857.2 Ų57.29%0.09234%0.339CS..  trans-116.7-39.8176.8-48.6177.1000110.3T182 A186 V207 V211 F270 E271 V294 C321T182-I296 HydrophobicContact CG2-CG2 3.44Å; T182-I296 VanDerWaalsContact CG2-CG2 3.44Å; A186-I296 HydrophobicContact CB-CD1 3.37Å; A186-I296 HydrophobicContact CB-CG1 4.1Å; V207-I296 HydrophobicContact CG1-CB 4.37Å; V207-I296 HydrophobicContact CG1-CD1 4.39Å; V207-I296 HydrophobicContact CG1-CG2 3.61Å; V211-I296 HydrophobicContact CG2-CD1 3.63Å; F270-I296 HydrophobicContact CB-CD1 4.34Å; F270-I296 HydrophobicContact CD1-CD1 4.08Å; E271-I296 WeakPolarHBondContact O-CA 3.13Å; E271-I296 VanDerWaalsContact O-CB 3.31Å; E271-I296 WeakPolarHBondContact O-CB 3.45Å; E271-I296 PolarHBondContact O-N 3.05Å; V294-I296 HydrophobicContact CG1-CG1 3.99Å; I296-C321 HydrophobicContact CG1-CB 4.21Å
297G95.1Very high96Very high15 Ų1558.8 Ų58.816%0.15535%0.349CS..SBendtrans-59.714217600000112.4E271 M279E271-G297 PolarHBondContact O-N 2.77Å; M279-G297 VanDerWaalsContact CE-O 3.28Å; M279-G297 WeakPolarHBondContact CE-O 3.45Å
298V91.8Very high96Very high114 Ų11465.8 Ų65.869%0.69137%0.374SS*.PPolyproline II helixtrans-93118178.9-177.60000108.5G274G274-V298 WeakPolarHBondContact CA-O 3.38Å
299A91.1Very high96Very high30 Ų3064.3 Ų64.325%0.24838%0.378CS..PPolyproline II helixtrans-76.1158.6178.200000112.2G274 V276 M279 A303G274-A299 WeakPolarHBondContact O-CA 3.43Å; V276-A299 HydrophobicContact CG1-CB 3.92Å; M279-A299 HydrophobicContact CE-CB 3.96Å; A299-A303 HydrophobicContact CB-CB 4.3Å
300E87.7Confident96Very high126 Ų12669 Ų6959%0.58939%0.386SS*.PPolyproline II helixtrans-62.1153172.7-60.2-173.2164.800112.2Y54 G302 A303Y54-E300 HydrophobicContact CE2-CG 4.21Å; Y54-E300 WeakPolarHBondContact OH-CA 3.46Å; E300-G302 PolarHBondContact O-N 3.2Å; E300-A303 VanDerWaalsContact O-CB 3.24Å; E300-A303 WeakPolarHBondContact O-CB 3.46Å; E300-A303 PolarHBondContact O-N 3.07Å; E300-A303 VanDerWaalsContact O-N 3.08Å
301A84.8Confident96Very high59 Ų5964 Ų6449%0.48837%0.369SS..THydrogen-bonded Turntrans-52.5129.5177.700000113Y54 P61 A303Y54-A301 PolarHBondContact OH-N 2.83Å; P61-A301 HydrophobicContact CG-CB 3.22Å; A301-A303 PolarHBondContact O-N 3.35Å
302G90.2Very high96Very high80 Ų8067.8 Ų67.883%0.82539%0.389SS*.THydrogen-bonded Turntrans76.3-2.2179.100000115E300E300-G302 PolarHBondContact O-N 3.2Å
303A93.8Very high95.9Very high47 Ų4772.5 Ų72.539%0.38842%0.417SS..  trans-72140.2174.100000111.1V276 A299 E300 A301V276-A303 HydrophobicContact CG1-CB 3.74Å; A299-A303 HydrophobicContact CB-CB 4.3Å; E300-A303 VanDerWaalsContact O-CB 3.24Å; E300-A303 WeakPolarHBondContact O-CB 3.46Å; E300-A303 PolarHBondContact O-N 3.07Å; E300-A303 VanDerWaalsContact O-N 3.08Å; A301-A303 PolarHBondContact O-N 3.35Å
304E97.9Very high95.9Very high165 Ų16573.8 Ų73.877%0.77143%0.425SS*.  trans-119.2136.3-177.5-65.2-174.7166.400111.6
305I98.2Very high95.9Very high78 Ų7875.1 Ų75.140%0.444%0.439SS..  trans-81.3142.5168.661.7179.1000110V276 M279 W318V276-I305 HydrophobicContact CB-CG2 4.12Å; V276-I305 HydrophobicContact CG1-CG2 3.92Å; M279-I305 HydrophobicContact CB-CG2 3.99Å; M279-I305 HydrophobicContact CG-CG2 4.4Å; M279-I305 HydrophobicContact SD-CG2 3.46Å; M279-I305 WeakPolarHBondContact SD-CG2 3.48Å; I305-W318 HydrophobicContact CB-CH2 3.5Å; I305-W318 HydrophobicContact CB-CZ2 3.92Å; I305-W318 HydrophobicContact CB-CZ3 4.15Å; I305-W318 HydrophobicContact CD1-CD2 4.16Å; I305-W318 HydrophobicContact CD1-CE3 3.97Å; I305-W318 HydrophobicContact CD1-CH2 3.71Å; I305-W318 HydrophobicContact CD1-CZ2 3.82Å; I305-W318 HydrophobicContact CD1-CZ3 3.74Å; I305-W318 HydrophobicContact CG1-CH2 3.82Å; I305-W318 HydrophobicContact CG1-CZ2 4.3Å; I305-W318 HydrophobicContact CG1-CZ3 3.96Å; I305-W318 HydrophobicContact CG2-CH2 4.32Å; I305-W318 HydrophobicContact CG2-CZ2 4.25Å
306S98.5Very high95.9Very high70 Ų7075.1 Ų75.149%0.4944%0.436SS..  trans-141.9148.6177.760.50000111.9R280R280-S306 WeakPolarHBondContact CD-O 3.45Å; R280-S306 VanDerWaalsContact CG-O 3.23Å; R280-S306 WeakPolarHBondContact CG-O 3.41Å
307T98.8Very high95.9Very high33 Ų3377.2 Ų77.220%0.20245%0.45CS..  trans-155.2173.2167.1-166.40000110L283 E284 Q311 W318L283-T307 HydrophobicContact CD2-CG2 3.58Å; E284-T307 PolarHBondContact OE1-OG1 3.08Å; E284-T307 VanDerWaalsContact OE1-OG1 3.08Å; T307-Q311 HydrophobicContact CG2-CB 4.39Å; T307-Q311 WeakPolarHBondContact OG1-CG 3.21Å; T307-W318 HydrophobicContact CG2-CZ3 4.17Å
308R98.5Very high96.1Very high187 Ų18779.3 Ų79.371%0.70645%0.453SS*.  trans-76.1132169.5-66.7-172.8178.2-176.80.5109.3F310 Q311R308-F310 PolarHBondContact O-N 3.46Å; R308-Q311 WeakPolarHBondContact O-CB 3.25Å; R308-Q311 WeakPolarHBondContact O-CG 3.48Å; R308-Q311 PolarHBondContact O-N 3.27Å
309P98.6Very high96.4Very high100 Ų10077.6 Ų77.665%0.64944%0.436SS*.THydrogen-bonded Turntrans-53.8-29.1179.9-28.434.9000114Q311 L312 V313P309-Q311 PolarHBondContact O-N 3.29Å; P309-Q311 VanDerWaalsContact O-N 3.12Å; P309-L312 PolarHBondContact O-N 2.93Å; P309-V313 WeakPolarHBondContact O-CG2 3.36Å; P309-V313 PolarHBondContact O-N 3.41Å
310F98.5Very high96.8Very high141 Ų14178.7 Ų78.762%0.61845%0.45SS*.Hα-helixtrans-55.3-28.7175.6-168.2-107.3000113.6R308 L312 T314R308-F310 PolarHBondContact O-N 3.46Å; F310-L312 VanDerWaalsContact C-N 3.28Å; F310-L312 PolarHBondContact O-N 3.15Å; F310-T314 HydrophobicContact CD1-CG2 3.9Å; F310-T314 HydrophobicContact CD2-CG2 4.08Å; F310-T314 HydrophobicContact CE1-CG2 3.48Å; F310-T314 VanDerWaalsContact CE1-CG2 3.48Å; F310-T314 HydrophobicContact CE2-CG2 3.66Å; F310-T314 HydrophobicContact CG-CG2 4.2Å; F310-T314 HydrophobicContact CZ-CG2 3.35Å; F310-T314 WeakPolarHBondContact O-CB 3.37Å; F310-T314 WeakPolarHBondContact O-CG2 3.3Å; F310-T314 PolarHBondContact O-N 3.06Å; F310-T314 PolarHBondContact O-OG1 3.22Å
311Q98.8Very high97.2Very high41 Ų4173.5 Ų73.519%0.19243%0.428CS..Hα-helixtrans-61.1-38.6175-64.5-64.8-5.600111.9E284 T307 R308 P309 T314 R316E284-Q311 HydrophobicContact CG-CG 4.24Å; T307-Q311 HydrophobicContact CG2-CB 4.39Å; T307-Q311 WeakPolarHBondContact OG1-CG 3.21Å; R308-Q311 WeakPolarHBondContact O-CB 3.25Å; R308-Q311 WeakPolarHBondContact O-CG 3.48Å; R308-Q311 PolarHBondContact O-N 3.27Å; P309-Q311 PolarHBondContact O-N 3.29Å; P309-Q311 VanDerWaalsContact O-N 3.12Å; Q311-T314 PolarHBondContact O-OG1 3.02Å; Q311-R316 VanDerWaalsContact O-CB 3.31Å; Q311-R316 WeakPolarHBondContact O-CB 3.33Å; Q311-R316 WeakPolarHBondContact O-CG 3.33Å; Q311-R316 PolarHBondContact O-N 3.45Å
312L98.8Very high97.8Very high79 Ų7972.5 Ų72.541%0.41442%0.419SS..Hα-helixtrans-83.2-41.8178.4-56.8179.5000111.7L283 P309 F310 T314 G315 R316 W318L283-L312 HydrophobicContact CD1-CD2 4.26Å; L283-L312 HydrophobicContact CD2-CD2 4.25Å; P309-L312 PolarHBondContact O-N 2.93Å; F310-L312 VanDerWaalsContact C-N 3.28Å; F310-L312 PolarHBondContact O-N 3.15Å; L312-T314 PolarHBondContact O-N 2.97Å; L312-T314 VanDerWaalsContact O-N 3.16Å; L312-G315 PolarHBondContact O-N 3.47Å; L312-R316 WeakPolarHBondContact CD2-O 3.43Å; L312-W318 HydrophobicContact CD2-CB 4.33Å
313V98.6Very high98.2Very high115 Ų11568.8 Ų68.870%0.69738%0.381SS*.Hα-helixtrans-55.4-34.4174.7172.20000111.1P309 G315P309-V313 WeakPolarHBondContact O-CG2 3.36Å; P309-V313 PolarHBondContact O-N 3.41Å; V313-G315 PolarHBondContact O-N 3.03Å
314T98.6Very high98.4Very high27 Ų2766.6 Ų66.617%0.16636%0.362CS..THydrogen-bonded Turntrans-85.120.8176.857.60000114.3K288 G289 F310 Q311 L312 R316K288-T314 WeakPolarHBondContact CG-O 3.41Å; G289-T314 VanDerWaalsContact CA-O 3.32Å; G289-T314 WeakPolarHBondContact CA-O 3.27Å; G289-T314 PolarHBondContact N-O 2.79Å; F310-T314 HydrophobicContact CD1-CG2 3.9Å; F310-T314 HydrophobicContact CD2-CG2 4.08Å; F310-T314 HydrophobicContact CE1-CG2 3.48Å; F310-T314 VanDerWaalsContact CE1-CG2 3.48Å; F310-T314 HydrophobicContact CE2-CG2 3.66Å; F310-T314 HydrophobicContact CG-CG2 4.2Å; F310-T314 HydrophobicContact CZ-CG2 3.35Å; F310-T314 WeakPolarHBondContact O-CB 3.37Å; F310-T314 WeakPolarHBondContact O-CG2 3.3Å; F310-T314 PolarHBondContact O-N 3.06Å; F310-T314 PolarHBondContact O-OG1 3.22Å; Q311-T314 PolarHBondContact O-OG1 3.02Å; L312-T314 PolarHBondContact O-N 2.97Å; L312-T314 VanDerWaalsContact O-N 3.16Å; T314-R316 PolarHBondContact OG1-NH1 3.5Å
315G98.6Very high98.4Very high27 Ų2760 Ų6028%0.27834%0.339SS..THydrogen-bonded Turntrans965163.900000116.4G289 L312 V313G289-G315 CarbonylContact C-O 3.53Å; G289-G315 WeakPolarHBondContact O-CA 3.38Å; G289-G315 VanDerWaalsContact O-O 3.14Å; L312-G315 PolarHBondContact O-N 3.47Å; V313-G315 PolarHBondContact O-N 3.03Å
316R98.8Very high98.4Very high25 Ų2558.3 Ų58.39%0.09433%0.328CS..  trans-74.8145.3171-63.6175.5177.176.9-1110.9L283 C286 G291 Q311 L312 T314L283-R316 HydrophobicContact CD1-CB 4.07Å; L283-R316 WeakPolarHBondContact O-CD 3.23Å; L283-R316 PolarHBondContact O-NE 3.29Å; C286-R316 HydrophobicContact CB-CG 4.05Å; C286-R316 PolarHBondContact O-NE 3.43Å; C286-R316 PolarHBondContact O-NH2 3.4Å; G291-R316 CarbonylContact O-C 3.57Å; G291-R316 VanDerWaalsContact O-CA 3.27Å; G291-R316 WeakPolarHBondContact O-CA 3.42Å; Q311-R316 VanDerWaalsContact O-CB 3.31Å; Q311-R316 WeakPolarHBondContact O-CB 3.33Å; Q311-R316 WeakPolarHBondContact O-CG 3.33Å; Q311-R316 PolarHBondContact O-N 3.45Å; L312-R316 WeakPolarHBondContact CD2-O 3.43Å; T314-R316 PolarHBondContact OG1-NH1 3.5Å
317T98.9Very high98.4Very high62 Ų6257.4 Ų57.438%0.3832%0.315SS..EExtended strand (participates in β ladder)trans-110.9132.2172-60.20000110.3G291 V292 S293G291-T317 PolarHBondContact O-N 2.94Å; V292-T317 WeakPolarHBondContact CA-O 3.23Å; S293-T317 PolarHBondContact N-O 2.76Å
318W98.8Very high98.4Very high59 Ų5955.9 Ų55.922%0.22331%0.305CS..EExtended strand (participates in β ladder)trans-112.4124.6172.5-1526.4000110M279 L283 V295 I305 T307 L312M279-W318 HydrophobicContact CB-CZ2 4.15Å; L283-W318 HydrophobicContact CB-CD2 4.45Å; L283-W318 HydrophobicContact CB-CZ2 4.29Å; L283-W318 HydrophobicContact CD1-CB 3.96Å; L283-W318 HydrophobicContact CD1-CD2 4.35Å; L283-W318 HydrophobicContact CD1-CG 3.97Å; L283-W318 HydrophobicContact CD2-CD2 3.71Å; L283-W318 HydrophobicContact CD2-CE3 3.6Å; L283-W318 HydrophobicContact CD2-CG 4.19Å; L283-W318 HydrophobicContact CD2-CH2 4.1Å; L283-W318 HydrophobicContact CD2-CZ2 4.28Å; L283-W318 HydrophobicContact CD2-CZ3 3.81Å; L283-W318 HydrophobicContact CG-CD2 4.39Å; V295-W318 VanDerWaalsContact CG2-NE1 3.3Å; I305-W318 HydrophobicContact CB-CH2 3.5Å; I305-W318 HydrophobicContact CB-CZ2 3.92Å; I305-W318 HydrophobicContact CB-CZ3 4.15Å; I305-W318 HydrophobicContact CD1-CD2 4.16Å; I305-W318 HydrophobicContact CD1-CE3 3.97Å; I305-W318 HydrophobicContact CD1-CH2 3.71Å; I305-W318 HydrophobicContact CD1-CZ2 3.82Å; I305-W318 HydrophobicContact CD1-CZ3 3.74Å; I305-W318 HydrophobicContact CG1-CH2 3.82Å; I305-W318 HydrophobicContact CG1-CZ2 4.3Å; I305-W318 HydrophobicContact CG1-CZ3 3.96Å; I305-W318 HydrophobicContact CG2-CH2 4.32Å; I305-W318 HydrophobicContact CG2-CZ2 4.25Å; T307-W318 HydrophobicContact CG2-CZ3 4.17Å; L312-W318 HydrophobicContact CD2-CB 4.33Å
319K98.6Very high98.4Very high78 Ų7849.4 Ų49.434%0.33928%0.281SS..EExtended strand (participates in β ladder)trans-142.7163.6-178.862.7-177.668.1169.80111.5T190 V292 S293 V294 V295T190-K319 HydrophobicContact CG2-CD 3.78Å; T190-K319 HydrophobicContact CG2-CG 4.12Å; T190-K319 PolarHBondContact O-NZ 3.14Å; V292-K319 HydrophobicContact CG1-CD 3.84Å; V292-K319 HydrophobicContact CG1-CG 4.16Å; S293-K319 PolarHBondContact O-N 3Å; V294-K319 CarbonylContact C-O 3.55Å; V294-K319 WeakPolarHBondContact CA-O 3.39Å; V294-K319 HydrophobicContact CG2-CD 4.3Å; V294-K319 HydrophobicContact CG2-CG 4Å; V295-K319 PolarHBondContact N-O 2.88Å
320G98.3Very high98.4Very high53 Ų5348.2 Ų48.255%0.54627%0.269SS..EExtended strand (participates in β ladder)trans-110.8164.2176.100000112.6T190 V295T190-G320 WeakPolarHBondContact CG2-O 3.5Å; V295-G320 CarbonylContact O-C 3.36Å; V295-G320 WeakPolarHBondContact O-CA 3.32Å
321C96.6Very high98.4Very high18 Ų1842.3 Ų42.312%0.12225%0.246CC..  trans-132.3128.2176.3-172.90000111.2A186 T190 V294 V295 I296 G324A186-C321 HydrophobicContact CB-CB 4.23Å; T190-C321 HydrophobicContact CG2-CB 4.11Å; T190-C321 PolarHBondContact OG1-SG 2.83Å; V294-C321 HydrophobicContact CG1-CB 3.77Å; V295-C321 PolarHBondContact O-N 2.8Å; I296-C321 HydrophobicContact CG1-CB 4.21Å; C321-G324 WeakPolarHBondContact SG-CA 3.49Å; C321-G324 PolarHBondContact SG-N 3.2Å; C321-G324 VanDerWaalsContact SG-N 3.44Å
322A97.6Very high98.4Very high37 Ų3740.4 Ų40.431%0.30624%0.236SC..SBendtrans-114.4123.4171.500000109.6I98 N113 L114 G324 G325I98-A322 HydrophobicContact CD1-CB 4.07Å; N113-A322 PolarHBondContact ND2-O 3.41Å; L114-A322 HydrophobicContact CD2-CB 3.64Å; A322-G324 PolarHBondContact O-N 2.9Å; A322-G324 VanDerWaalsContact O-N 3.09Å; A322-G325 PolarHBondContact O-N 3.11Å
323F98.2Very high98.3Very high3 Ų337.8 Ų37.81%0.01322%0.224CC..G310 helixtrans47.537.9-178.2-165.9-126.3000113.6Y97 I98 G177 T182 G325 W326 V332Y97-F323 AromaticContact CE1-CD2 3.62Å; Y97-F323 HydrophobicContact CE1-CD2 3.62Å; Y97-F323 HydrophobicContact CE1-CE2 4.1Å; Y97-F323 HydrophobicContact CE1-CG 4.23Å; Y97-F323 AromaticContact CZ-CD2 3.8Å; Y97-F323 WeakPolarHBondContact OH-CB 3.24Å; Y97-F323 WeakPolarHBondContact OH-CD2 3.36Å; I98-F323 HydrophobicContact CD1-CB 3.52Å; I98-F323 HydrophobicContact CG1-CB 4.14Å; G177-F323 VanDerWaalsContact C-CE2 3.43Å; G177-F323 WeakPolarHBondContact O-CE2 3.42Å; T182-F323 WeakPolarHBondContact OG1-CA 3.23Å; F323-G325 PolarHBondContact O-N 3.13Å; F323-G325 VanDerWaalsContact O-N 3.11Å; F323-W326 HydrophobicContact CD1-CB 4.01Å; F323-W326 HydrophobicContact CE1-CB 4.12Å; F323-W326 PolarHBondContact O-N 2.85Å; F323-W326 VanDerWaalsContact O-N 3.16Å; F323-V332 HydrophobicContact CE1-CG2 3.77Å; F323-V332 HydrophobicContact CZ-CG2 3.61Å
324G98.3Very high98.3Very high0 Ų038.2 Ų38.20%022%0.217CC..G310 helixtrans69.110.9178.700000114.4T182 G185 N189 C321 A322 W326T182-G324 WeakPolarHBondContact O-CA 3.41Å; G185-G324 CarbonylContact C-O 3.56Å; G185-G324 VanDerWaalsContact CA-O 3.22Å; G185-G324 WeakPolarHBondContact CA-O 3.25Å; G185-G324 VanDerWaalsContact O-O 3.11Å; N189-G324 WeakPolarHBondContact CB-O 3.32Å; N189-G324 PolarHBondContact ND2-O 3.19Å; C321-G324 WeakPolarHBondContact SG-CA 3.49Å; C321-G324 PolarHBondContact SG-N 3.2Å; C321-G324 VanDerWaalsContact SG-N 3.44Å; A322-G324 PolarHBondContact O-N 2.9Å; A322-G324 VanDerWaalsContact O-N 3.09Å; G324-W326 PolarHBondContact O-N 3.13Å
325G98.2Very high98.3Very high28 Ų2837 Ų3729%0.28921%0.21SC..G310 helixtrans71.38.4-172.200000114.3A322 F323A322-G325 PolarHBondContact O-N 3.11Å; F323-G325 PolarHBondContact O-N 3.13Å; F323-G325 VanDerWaalsContact O-N 3.11Å
326W98.3Very high98.3Very high41 Ų4135.8 Ų35.816%0.15520%0.196CC..  trans-72.6130.9-179.5-62.4117.5000111.6N113 S181 Y184 G185 N189 F323 G324 S328 L335N113-W326 WeakPolarHBondContact CB-O 3.22Å; N113-W326 PolarHBondContact ND2-N 3.14Å; N113-W326 PolarHBondContact ND2-O 3.02Å; S181-W326 VanDerWaalsContact O-CD1 3.29Å; S181-W326 PolarHBondContact O-NE1 3.26Å; Y184-W326 HydrophobicContact CD1-CZ2 4.14Å; G185-W326 VanDerWaalsContact CA-NE1 3.32Å; N189-W326 VanDerWaalsContact ND2-CE2 3.26Å; N189-W326 WeakPolarHBondContact ND2-CH2 3.47Å; N189-W326 VanDerWaalsContact ND2-CZ2 3.33Å; N189-W326 WeakPolarHBondContact ND2-CZ2 3.29Å; N189-W326 VanDerWaalsContact ND2-CZ3 3.31Å; N189-W326 WeakPolarHBondContact ND2-CZ3 3.22Å; F323-W326 HydrophobicContact CD1-CB 4.01Å; F323-W326 HydrophobicContact CE1-CB 4.12Å; F323-W326 PolarHBondContact O-N 2.85Å; F323-W326 VanDerWaalsContact O-N 3.16Å; G324-W326 PolarHBondContact O-N 3.13Å; W326-S328 PolarHBondContact O-N 3.3Å; W326-L335 HydrophobicContact CD2-CD1 4.37Å; W326-L335 HydrophobicContact CG-CD1 4.4Å; W326-L335 HydrophobicContact CZ2-CD2 4.13Å
327K98.3Very high98.3Very high52 Ų5240 Ų4023%0.22622%0.217CC..  trans-72106.8160.6-72.7-169.3-169.8-77.50107.3Q100 C107 S109 T112 N113 R329 D330 S331Q100-K327 PolarHBondContact OE1-O 3.19Å; C107-K327 PolarHBondContact O-NZ 2.94Å; S109-K327 PolarHBondContact O-NZ 3.04Å; T112-K327 PolarHBondContact O-NZ 3.37Å; N113-K327 HydrophobicContact CB-CG 4.44Å; K327-R329 PolarHBondContact O-N 3.37Å; K327-D330 PolarHBondContact O-N 3.35Å; K327-S331 PolarHBondContact N-OG 2.83Å; K327-S331 WeakPolarHBondContact O-CB 3.33Å; K327-S331 PolarHBondContact O-N 2.77Å; K327-S331 PolarHBondContact O-OG 2.76Å
328S98Very high98.3Very high0 Ų039.7 Ų39.70%021%0.213CC..Hα-helixtrans-61.2-51.2-155.453.80000114.3I98 Q100 W326 D330 S331 V332I98-S328 WeakPolarHBondContact O-CB 3.41Å; I98-S328 PolarHBondContact O-OG 2.8Å; Q100-S328 VanDerWaalsContact OE1-N 3.15Å; W326-S328 PolarHBondContact O-N 3.3Å; S328-D330 VanDerWaalsContact C-N 3.3Å; S328-D330 PolarHBondContact O-N 3.19Å; S328-S331 PolarHBondContact O-N 2.72Å; S328-V332 VanDerWaalsContact O-CB 3.31Å; S328-V332 WeakPolarHBondContact O-CB 3.34Å; S328-V332 VanDerWaalsContact O-CG2 3.29Å; S328-V332 WeakPolarHBondContact O-CG2 3.32Å; S328-V332 PolarHBondContact O-N 3.14Å
329R98.4Very high98.2Very high52 Ų5238.1 Ų38.120%0.19621%0.207CC..Hα-helixtrans-65.4-32.8-179.7-66.9-177.870-163.10.4113S86 L96 Q100 I159 L161 K327 P333S86-R329 PolarHBondContact OG-NH2 2.67Å; L96-R329 HydrophobicContact CD1-CB 4.4Å; L96-R329 HydrophobicContact CD1-CG 3.54Å; Q100-R329 HydrophobicContact CB-CB 4.06Å; Q100-R329 HydrophobicContact CB-CG 3.84Å; Q100-R329 HydrophobicContact CG-CB 4.48Å; Q100-R329 VanDerWaalsContact O-CD 3.23Å; Q100-R329 WeakPolarHBondContact O-CD 3.3Å; I159-R329 WeakPolarHBondContact O-CD 3.27Å; L161-R329 WeakPolarHBondContact O-CG 3.36Å; L161-R329 PolarHBondContact O-NE 2.77Å; K327-R329 PolarHBondContact O-N 3.37Å; R329-P333 WeakPolarHBondContact O-CD 3.36Å; R329-P333 WeakPolarHBondContact O-CG 3.06Å
330D98.2Very high98.2Very high75 Ų7538.1 Ų38.140%0.40121%0.211SC..Hα-helixtrans-81.2-31.8179.8-62-13.9000112.7Q100 K327 S328 K334Q100-D330 PolarHBondContact NE2-OD1 3.01Å; Q100-D330 PolarHBondContact NE2-OD2 3.01Å; K327-D330 PolarHBondContact O-N 3.35Å; S328-D330 VanDerWaalsContact C-N 3.3Å; S328-D330 PolarHBondContact O-N 3.19Å; D330-K334 WeakPolarHBondContact O-CE 3.34Å
331S98.4Very high98.2Very high17 Ų1739.3 Ų39.312%0.11921%0.211CC..Hα-helixtrans-99.4-37.4-167.7-48.50000112.8K327 S328 K334 L335K327-S331 PolarHBondContact N-OG 2.83Å; K327-S331 WeakPolarHBondContact O-CB 3.33Å; K327-S331 PolarHBondContact O-N 2.77Å; K327-S331 PolarHBondContact O-OG 2.76Å; S328-S331 PolarHBondContact O-N 2.72Å; S331-K334 WeakPolarHBondContact O-CB 3.48Å; S331-K334 PolarHBondContact O-N 2.91Å; S331-K334 VanDerWaalsContact O-N 3.08Å; S331-L335 WeakPolarHBondContact O-CG 3.34Å; S331-L335 PolarHBondContact O-N 3.24Å
332V98.7Very high98.1Very high0 Ų041.3 Ų41.30%023%0.234CC..Hα-helixtrans-59.6-40.6-178.4170.80000112.8I94 L96 A162 F323 S328 K334 L335 V336I94-V332 HydrophobicContact CB-CG1 4.18Å; I94-V332 HydrophobicContact CD1-CG1 3.74Å; I94-V332 HydrophobicContact CG2-CG1 4.23Å; L96-V332 HydrophobicContact CD2-CB 4.28Å; L96-V332 HydrophobicContact CD2-CG1 4.41Å; L96-V332 HydrophobicContact CD2-CG2 3.77Å; A162-V332 HydrophobicContact CB-CB 3.8Å; A162-V332 HydrophobicContact CB-CG1 3.77Å; F323-V332 HydrophobicContact CE1-CG2 3.77Å; F323-V332 HydrophobicContact CZ-CG2 3.61Å; S328-V332 VanDerWaalsContact O-CB 3.31Å; S328-V332 WeakPolarHBondContact O-CB 3.34Å; S328-V332 VanDerWaalsContact O-CG2 3.29Å; S328-V332 WeakPolarHBondContact O-CG2 3.32Å; S328-V332 PolarHBondContact O-N 3.14Å; V332-K334 VanDerWaalsContact C-N 3.29Å; V332-K334 PolarHBondContact O-N 3.45Å; V332-L335 PolarHBondContact O-N 3.24Å; V332-V336 WeakPolarHBondContact O-CG2 3.46Å; V332-V336 PolarHBondContact O-N 3.17Å
333P98.7Very high98Very high25 Ų2542.2 Ų42.216%0.16224%0.236CC..Hα-helixtrans-60.1-38.9174.1-24.436.2000112.9A162 K163 R329 V336 E337A162-P333 HydrophobicContact CB-CG 4.14Å; K163-P333 WeakPolarHBondContact O-CB 3.47Å; K163-P333 WeakPolarHBondContact O-CG 3.46Å; R329-P333 WeakPolarHBondContact O-CD 3.36Å; R329-P333 WeakPolarHBondContact O-CG 3.06Å; P333-V336 WeakPolarHBondContact O-CB 3.44Å; P333-V336 PolarHBondContact O-N 2.88Å; P333-V336 VanDerWaalsContact O-N 3.16Å; P333-E337 WeakPolarHBondContact O-CG 3.19Å; P333-E337 PolarHBondContact O-N 3.15Å
334K98.6Very high97.9Very high123 Ų12342.2 Ų42.254%0.53524%0.236SC..Hα-helixtrans-68.1-36.6176.1-58.7176.3-174.8175.70112.1D330 S331 V332 V336 E337 D338D330-K334 WeakPolarHBondContact O-CE 3.34Å; S331-K334 WeakPolarHBondContact O-CB 3.48Å; S331-K334 PolarHBondContact O-N 2.91Å; S331-K334 VanDerWaalsContact O-N 3.08Å; V332-K334 VanDerWaalsContact C-N 3.29Å; V332-K334 PolarHBondContact O-N 3.45Å; K334-V336 PolarHBondContact O-N 3Å; K334-E337 WeakPolarHBondContact O-CB 3.44Å; K334-E337 PolarHBondContact O-N 3.28Å; K334-E337 VanDerWaalsContact O-N 3.15Å; K334-D338 PolarHBondContact O-N 3.1Å
335L98.5Very high97.8Very high3 Ų345.7 Ų45.72%0.01625%0.249CC..Hα-helixtrans-64.7-31.5172.8-66171.7000111.7L176 S181 Y184 W326 S331 V332 Y339 I344L176-L335 HydrophobicContact CD1-CB 4.37Å; L176-L335 HydrophobicContact CD2-CB 4.41Å; S181-L335 WeakPolarHBondContact OG-CD1 3.43Å; Y184-L335 HydrophobicContact CD1-CD2 4.39Å; W326-L335 HydrophobicContact CD2-CD1 4.37Å; W326-L335 HydrophobicContact CG-CD1 4.4Å; W326-L335 HydrophobicContact CZ2-CD2 4.13Å; S331-L335 WeakPolarHBondContact O-CG 3.34Å; S331-L335 PolarHBondContact O-N 3.24Å; V332-L335 PolarHBondContact O-N 3.24Å; L335-Y339 PolarHBondContact O-N 3.34Å; L335-I344 HydrophobicContact CD2-CD1 3.52Å
336V98.7Very high97.8Very high0 Ų044.3 Ų44.30%024%0.235CC..Hα-helixtrans-68.1-42.2170.9173.40000110.9I94 I164 D165 A168 V173 L176 V332 P333 K334 D338 Y339 L340I94-V336 HydrophobicContact CD1-CG2 3.92Å; I164-V336 HydrophobicContact CB-CG1 4.38Å; I164-V336 HydrophobicContact CB-CG2 4.17Å; I164-V336 HydrophobicContact CG2-CG2 3.82Å; D165-V336 HydrophobicContact CB-CG1 4.5Å; A168-V336 HydrophobicContact CB-CG1 3.6Å; V173-V336 HydrophobicContact CB-CG2 4.38Å; L176-V336 HydrophobicContact CD1-CB 4.41Å; L176-V336 HydrophobicContact CD1-CG2 3.7Å; V332-V336 WeakPolarHBondContact O-CG2 3.46Å; V332-V336 PolarHBondContact O-N 3.17Å; P333-V336 WeakPolarHBondContact O-CB 3.44Å; P333-V336 PolarHBondContact O-N 2.88Å; P333-V336 VanDerWaalsContact O-N 3.16Å; K334-V336 PolarHBondContact O-N 3Å; V336-D338 VanDerWaalsContact C-N 3.35Å; V336-Y339 WeakPolarHBondContact O-CB 3.23Å; V336-Y339 PolarHBondContact O-N 3.16Å; V336-L340 HydrophobicContact CG1-CD1 4.11Å; V336-L340 HydrophobicContact CG1-CG 4.37Å; V336-L340 WeakPolarHBondContact O-CG 3.38Å; V336-L340 PolarHBondContact O-N 3Å
337E98.4Very high97.7Very high115 Ų11545.5 Ų45.554%0.53725%0.245SC..Hα-helixtrans-61.2-42.1173.6-66.2166-169.100111.7P333 K334 Y339 L340 S341P333-E337 WeakPolarHBondContact O-CG 3.19Å; P333-E337 PolarHBondContact O-N 3.15Å; K334-E337 WeakPolarHBondContact O-CB 3.44Å; K334-E337 PolarHBondContact O-N 3.28Å; K334-E337 VanDerWaalsContact O-N 3.15Å; E337-Y339 VanDerWaalsContact C-N 3.3Å; E337-Y339 PolarHBondContact O-N 2.71Å; E337-L340 PolarHBondContact O-N 2.87Å; E337-S341 WeakPolarHBondContact O-CB 3Å; E337-S341 PolarHBondContact O-N 3.48Å; E337-S341 PolarHBondContact O-OG 3.02Å; E337-S341 VanDerWaalsContact O-OG 3.07Å
338D97.7Very high97.5Very high54 Ų5446.6 Ų46.629%0.28925%0.251SS..Hα-helixtrans-62.1-37.3174.2-75.8-21.4000111.8K334 V336 S341 G342 T343 I344K334-D338 PolarHBondContact O-N 3.1Å; V336-D338 VanDerWaalsContact C-N 3.35Å; D338-S341 WeakPolarHBondContact CA-OG 3.49Å; D338-S341 PolarHBondContact O-OG 3.36Å; D338-G342 PolarHBondContact O-N 2.76Å; D338-T343 HydrophobicContact CB-CG2 4.4Å; D338-T343 WeakPolarHBondContact O-CA 3.33Å; D338-T343 VanDerWaalsContact O-CB 3.29Å; D338-T343 WeakPolarHBondContact O-CB 3.47Å; D338-T343 PolarHBondContact O-N 2.9Å; D338-I344 HydrophobicContact CB-CB 4.31Å; D338-I344 HydrophobicContact CB-CD1 3.73Å; D338-I344 HydrophobicContact CB-CG1 3.9Å; D338-I344 PolarHBondContact O-N 2.82Å; D338-I344 VanDerWaalsContact O-N 3.08Å
339Y98.3Very high97.5Very high27 Ų2746.6 Ų46.611%0.10625%0.251CS..Hα-helixtrans-66.6-48.5172.6164.8-111.7000112P169 K172 V173 L335 V336 E337 S341 G342 V346 D347P169-Y339 HydrophobicContact CG-CE1 3.6Å; K172-Y339 WeakPolarHBondContact CD-OH 3.44Å; K172-Y339 PolarHBondContact NZ-OH 3.41Å; V173-Y339 HydrophobicContact CG1-CD1 3.76Å; V173-Y339 HydrophobicContact CG1-CE1 3.84Å; L335-Y339 PolarHBondContact O-N 3.34Å; V336-Y339 WeakPolarHBondContact O-CB 3.23Å; V336-Y339 PolarHBondContact O-N 3.16Å; E337-Y339 VanDerWaalsContact C-N 3.3Å; E337-Y339 PolarHBondContact O-N 2.71Å; Y339-S341 PolarHBondContact O-N 3.46Å; Y339-G342 PolarHBondContact O-N 2.98Å; Y339-V346 HydrophobicContact CD2-CB 3.58Å; Y339-V346 HydrophobicContact CD2-CG2 3.39Å; Y339-V346 HydrophobicContact CE2-CB 3.6Å; Y339-V346 HydrophobicContact CE2-CG2 3.98Å; Y339-V346 HydrophobicContact CG-CB 4.31Å; Y339-V346 HydrophobicContact CG-CG2 3.77Å; Y339-D347 VanDerWaalsContact CE2-OD1 3.3Å; Y339-D347 WeakPolarHBondContact CE2-OD1 3.26Å; Y339-D347 PolarHBondContact OH-OD1 2.74Å
340L98Very high97.3Very high77 Ų7745.1 Ų45.140%0.40325%0.246SC..Hα-helixtrans-63-30.4-179.2-70.4176.2000112.7D165 A168 V336 E337 G342D165-L340 HydrophobicContact CB-CD1 3.84Å; A168-L340 HydrophobicContact CB-CD1 4.44Å; V336-L340 HydrophobicContact CG1-CD1 4.11Å; V336-L340 HydrophobicContact CG1-CG 4.37Å; V336-L340 WeakPolarHBondContact O-CG 3.38Å; V336-L340 PolarHBondContact O-N 3Å; E337-L340 PolarHBondContact O-N 2.87Å; L340-G342 VanDerWaalsContact C-N 3.3Å
341S97.3Very high97.1Very high79 Ų7944.3 Ų44.355%0.55224%0.244SC*.THydrogen-bonded Turntrans-80.9-5.7173.464.10000114.2E337 D338 Y339 T343E337-S341 WeakPolarHBondContact O-CB 3Å; E337-S341 PolarHBondContact O-N 3.48Å; E337-S341 PolarHBondContact O-OG 3.02Å; E337-S341 VanDerWaalsContact O-OG 3.07Å; D338-S341 WeakPolarHBondContact CA-OG 3.49Å; D338-S341 PolarHBondContact O-OG 3.36Å; Y339-S341 PolarHBondContact O-N 3.46Å; S341-T343 VanDerWaalsContact C-N 3.29Å; S341-T343 PolarHBondContact OG-OG1 3.18Å; S341-T343 VanDerWaalsContact OG-OG1 3.09Å
342G95.7Very high97Very high60 Ų6046 Ų4662%0.61925%0.25SS*.THydrogen-bonded Turntrans77.310.1-175.700000114.6D338 Y339 L340D338-G342 PolarHBondContact O-N 2.76Å; Y339-G342 PolarHBondContact O-N 2.98Å; L340-G342 VanDerWaalsContact C-N 3.3Å
343T95.1Very high96.8Very high55 Ų5551 Ų5134%0.33727%0.273SS..SBendtrans-69.9-38.9176-61.60000112D338 S341D338-T343 HydrophobicContact CB-CG2 4.4Å; D338-T343 WeakPolarHBondContact O-CA 3.33Å; D338-T343 VanDerWaalsContact O-CB 3.29Å; D338-T343 WeakPolarHBondContact O-CB 3.47Å; D338-T343 PolarHBondContact O-N 2.9Å; S341-T343 VanDerWaalsContact C-N 3.29Å; S341-T343 PolarHBondContact OG-OG1 3.18Å; S341-T343 VanDerWaalsContact OG-OG1 3.09Å
344I95.7Very high96.7Very high3 Ų351.2 Ų51.22%0.01527%0.272CS..SBendtrans-112.2133.6175.9-70.7176.5000109.5L176 I180 Y184 M213 L335 D338 V346L176-I344 HydrophobicContact CD2-CG2 4.43Å; I180-I344 HydrophobicContact CG2-CG2 4.12Å; Y184-I344 HydrophobicContact CD1-CD1 3.84Å; Y184-I344 HydrophobicContact CE1-CD1 3.62Å; Y184-I344 HydrophobicContact CE1-CG1 4.06Å; Y184-I344 HydrophobicContact CE2-CG1 4.17Å; Y184-I344 HydrophobicContact CG-CD1 4.39Å; M213-I344 HydrophobicContact CE-CG2 3.85Å; L335-I344 HydrophobicContact CD2-CD1 3.52Å; D338-I344 HydrophobicContact CB-CB 4.31Å; D338-I344 HydrophobicContact CB-CD1 3.73Å; D338-I344 HydrophobicContact CB-CG1 3.9Å; D338-I344 PolarHBondContact O-N 2.82Å; D338-I344 VanDerWaalsContact O-N 3.08Å; I344-V346 HydrophobicContact CG2-CG2 4.24Å
345R96Very high96.7Very high73 Ų7347.8 Ų47.828%0.27526%0.258SS..  trans-82.4135.3172.9-63173.974-172.84.6109.4M213 S238 F239 E348 F349M213-R345 HydrophobicContact SD-CB 3.79Å; M213-R345 HydrophobicContact SD-CG 4.23Å; S238-R345 PolarHBondContact O-NH1 3.18Å; F239-R345 HydrophobicContact CE1-CB 4.49Å; R345-E348 WeakPolarHBondContact CB-OE2 3.42Å; R345-E348 IonicContact CZ-OE1 2.91Å; R345-E348 VanDerWaalsContact NE-CD 3.26Å; R345-E348 IonicContact NE-OE1 3.6Å; R345-E348 PolarHBondContact NE-OE1 2.68Å; R345-E348 IonicContact NE-OE2 3.19Å; R345-E348 VanDerWaalsContact NH2-CD 3.3Å; R345-E348 VanDerWaalsContact NH2-CG 3.3Å; R345-E348 IonicContact NH2-OE1 3.59Å; R345-E348 PolarHBondContact NH2-OE1 2.77Å; R345-F349 VanDerWaalsContact O-CE2 3.26Å; R345-F349 WeakPolarHBondContact O-CE2 3.31Å
346V97.9Very high96.7Very high0 Ų048.1 Ų48.10%026%0.259CS..  trans-130.3-43.5175176.80000110.2K172 L175 L176 I180 Y339 I344 E348 F349K172-V346 HydrophobicContact CB-CG1 4.17Å; L175-V346 HydrophobicContact CB-CG1 4.39Å; L175-V346 HydrophobicContact CD1-CG1 4.33Å; L176-V346 HydrophobicContact CD1-CG2 4.44Å; L176-V346 HydrophobicContact CD2-CG2 3.96Å; L176-V346 HydrophobicContact CG-CG2 4.24Å; I180-V346 HydrophobicContact CD1-CB 4.23Å; I180-V346 HydrophobicContact CD1-CG1 3.95Å; I180-V346 HydrophobicContact CD1-CG2 4.09Å; Y339-V346 HydrophobicContact CD2-CB 3.58Å; Y339-V346 HydrophobicContact CD2-CG2 3.39Å; Y339-V346 HydrophobicContact CE2-CB 3.6Å; Y339-V346 HydrophobicContact CE2-CG2 3.98Å; Y339-V346 HydrophobicContact CG-CB 4.31Å; Y339-V346 HydrophobicContact CG-CG2 3.77Å; I344-V346 HydrophobicContact CG2-CG2 4.24Å; V346-E348 PolarHBondContact O-N 2.94Å; V346-F349 WeakPolarHBondContact O-CB 3.29Å; V346-F349 PolarHBondContact O-N 2.94Å; V346-F349 VanDerWaalsContact O-N 3.07Å
347D96.9Very high96.6Very high66 Ų6655.4 Ų55.435%0.35329%0.291SS..G310 helixtrans-50.9-44.1-177.7-68.119.1000112.5K172 Y339 F349 I350K172-D347 VanDerWaalsContact CD-OD1 3.25Å; K172-D347 WeakPolarHBondContact CD-OD1 3.39Å; K172-D347 IonicContact NZ-OD1 2.79Å; K172-D347 PolarHBondContact NZ-OD1 3.38Å; K172-D347 IonicContact NZ-OD2 2.74Å; K172-D347 PolarHBondContact NZ-OD2 3.09Å; Y339-D347 VanDerWaalsContact CE2-OD1 3.3Å; Y339-D347 WeakPolarHBondContact CE2-OD1 3.26Å; Y339-D347 PolarHBondContact OH-OD1 2.74Å; D347-F349 PolarHBondContact O-N 3.23Å; D347-I350 WeakPolarHBondContact O-CB 3.47Å; D347-I350 PolarHBondContact O-N 3.25Å
348E95.3Very high96.6Very high74 Ų7451.8 Ų51.835%0.34628%0.276SS..G310 helixtrans-77.1-8.1-173.5-56.599.4130.200114.1F239 R345 V346 I350F239-E348 HydrophobicContact CE2-CB 4.1Å; F239-E348 HydrophobicContact CZ-CB 3.79Å; R345-E348 WeakPolarHBondContact CB-OE2 3.42Å; R345-E348 IonicContact CZ-OE1 2.91Å; R345-E348 VanDerWaalsContact NE-CD 3.26Å; R345-E348 IonicContact NE-OE1 3.6Å; R345-E348 PolarHBondContact NE-OE1 2.68Å; R345-E348 IonicContact NE-OE2 3.19Å; R345-E348 VanDerWaalsContact NH2-CD 3.3Å; R345-E348 VanDerWaalsContact NH2-CG 3.3Å; R345-E348 IonicContact NH2-OE1 3.59Å; R345-E348 PolarHBondContact NH2-OE1 2.77Å; V346-E348 PolarHBondContact O-N 2.94Å; E348-I350 VanDerWaalsContact C-N 3.35Å
349F96.4Very high96.6Very high0 Ų049.2 Ų49.20%026%0.262CS..G310 helixtrans-77.4-26.8167.5-70.7-89.1000111.8L175 I180 A206 L209 A210 M213 F239 R345 V346 D347 T351 I372 R373L175-F349 HydrophobicContact CD1-CB 4.18Å; I180-F349 HydrophobicContact CD1-CB 4.15Å; I180-F349 HydrophobicContact CD1-CD1 4.47Å; I180-F349 HydrophobicContact CD1-CD2 3.49Å; I180-F349 VanDerWaalsContact CD1-CD2 3.49Å; I180-F349 HydrophobicContact CD1-CE2 3.92Å; I180-F349 HydrophobicContact CD1-CG 3.79Å; I180-F349 HydrophobicContact CG1-CD1 4.16Å; I180-F349 HydrophobicContact CG1-CD2 3.9Å; I180-F349 HydrophobicContact CG1-CE1 4.24Å; I180-F349 HydrophobicContact CG1-CE2 3.97Å; I180-F349 HydrophobicContact CG1-CG 3.97Å; I180-F349 HydrophobicContact CG1-CZ 4.15Å; I180-F349 HydrophobicContact CG2-CE2 4.3Å; A206-F349 HydrophobicContact CB-CD1 3.77Å; A206-F349 HydrophobicContact CB-CE1 4.19Å; A206-F349 VanDerWaalsContact O-CE1 3.22Å; A206-F349 WeakPolarHBondContact O-CE1 3.33Å; L209-F349 HydrophobicContact CB-CE1 3.66Å; L209-F349 HydrophobicContact CB-CZ 4.25Å; A210-F349 HydrophobicContact CB-CE1 4.22Å; A210-F349 HydrophobicContact CB-CZ 3.93Å; M213-F349 HydrophobicContact CE-CE2 4.35Å; M213-F349 HydrophobicContact CE-CZ 4.43Å; F239-F349 HydrophobicContact CD1-CE2 4.42Å; F239-F349 HydrophobicContact CD1-CZ 4.1Å; F239-F349 HydrophobicContact CE1-CD2 4.01Å; F239-F349 HydrophobicContact CE1-CE1 4.02Å; F239-F349 AromaticContact CE1-CE2 3.36Å; F239-F349 HydrophobicContact CE1-CE2 3.36Å; F239-F349 AromaticContact CE1-CZ 3.36Å; F239-F349 HydrophobicContact CE1-CZ 3.36Å; F239-F349 HydrophobicContact CZ-CD1 4.5Å; F239-F349 HydrophobicContact CZ-CD2 4.04Å; F239-F349 HydrophobicContact CZ-CE1 4.32Å; F239-F349 AromaticContact CZ-CE2 3.87Å; F239-F349 HydrophobicContact CZ-CE2 3.87Å; F239-F349 HydrophobicContact CZ-CG 4.38Å; F239-F349 HydrophobicContact CZ-CZ 4.01Å; R345-F349 VanDerWaalsContact O-CE2 3.26Å; R345-F349 WeakPolarHBondContact O-CE2 3.31Å; V346-F349 WeakPolarHBondContact O-CB 3.29Å; V346-F349 PolarHBondContact O-N 2.94Å; V346-F349 VanDerWaalsContact O-N 3.07Å; D347-F349 PolarHBondContact O-N 3.23Å; F349-T351 PolarHBondContact O-N 3.4Å; F349-I372 HydrophobicContact CD1-CG2 4.17Å; F349-R373 HydrophobicContact CB-CG 4.48Å; F349-R373 WeakPolarHBondContact O-CB 3.43Å; F349-R373 PolarHBondContact O-N 2.79Å; F349-R373 VanDerWaalsContact O-N 3.11Å
350I95.7Very high96.6Very high21 Ų2150.1 Ų50.111%0.10827%0.268CS..EExtended strand (participates in β ladder)trans-83.5101.2-176-55.8165.6000108.5K172 L175 D347 E348 H353 R373 M375K172-I350 HydrophobicContact CB-CD1 3.89Å; K172-I350 HydrophobicContact CG-CD1 3.72Å; L175-I350 HydrophobicContact CD1-CD1 4.14Å; L175-I350 HydrophobicContact CD1-CG1 3.51Å; D347-I350 WeakPolarHBondContact O-CB 3.47Å; D347-I350 PolarHBondContact O-N 3.25Å; E348-I350 VanDerWaalsContact C-N 3.35Å; I350-H353 VanDerWaalsContact CG2-CE1 3.44Å; I350-H353 WeakPolarHBondContact CG2-CE1 3.47Å; I350-R373 WeakPolarHBondContact CA-O 3.48Å; I350-M375 HydrophobicContact CB-CG 4.26Å; I350-M375 HydrophobicContact CD1-CG 3.96Å; I350-M375 HydrophobicContact CG1-CG 3.76Å; I350-M375 HydrophobicContact CG2-CB 4.07Å; I350-M375 HydrophobicContact CG2-CG 3.52Å
351T93.4Very high96.6Very high58 Ų5851.9 Ų51.936%0.35627%0.273SS..EExtended strand (participates in β ladder)trans-97.3-18.8-179.659.10000113.3F349 C371 I372 R373F349-T351 PolarHBondContact O-N 3.4Å; T351-C371 PolarHBondContact OG1-SG 2.94Å; T351-I372 HydrophobicContact CG2-CB 3.93Å; T351-I372 HydrophobicContact CG2-CG1 3.89Å; T351-I372 PolarHBondContact OG1-N 3.25Å; T351-I372 VanDerWaalsContact OG1-N 3.12Å; T351-R373 PolarHBondContact N-O 2.86Å
352H95.1Very high96.6Very high54 Ų5448.1 Ų48.125%0.2525%0.246CC..EExtended strand (participates in β ladder)trans-145148.9-178.1-61.777.9000111.4F354 C371 M375H352-F354 HydrophobicContact CB-CD2 4.25Å; H352-F354 HydrophobicContact CB-CE2 3.49Å; H352-F354 VanDerWaalsContact CB-CE2 3.49Å; H352-F354 HydrophobicContact CB-CZ 4.09Å; H352-C371 PolarHBondContact ND1-SG 3.39Å; H352-M375 PolarHBondContact O-N 2.87Å
353H96.2Very high96.6Very high103 Ų10346.1 Ų46.148%0.47722%0.221SC..EExtended strand (participates in β ladder)trans-121.2134.3173.4-66.5-80.6000109.9I350 M375 H377I350-H353 VanDerWaalsContact CG2-CE1 3.44Å; I350-H353 WeakPolarHBondContact CG2-CE1 3.47Å; H353-M375 CarbonylContact C-O 3.56Å; H353-M375 WeakPolarHBondContact CA-O 3.38Å; H353-H377 AromaticContact CG-NE2 3.62Å; H353-H377 AromaticContact ND1-CE1 3.71Å; H353-H377 AromaticContact ND1-NE2 3.05Å; H353-H377 PolarHBondContact ND1-NE2 2.73Å
354F96.9Very high96.6Very high31 Ų3146.5 Ų46.514%0.13622%0.221CC..EExtended strand (participates in β ladder)trans-131.7155.9177.5-65.7-79.5000110.3H352 D358 K361 A362 L365 P374 M375 I376 H377H352-F354 HydrophobicContact CB-CD2 4.25Å; H352-F354 HydrophobicContact CB-CE2 3.49Å; H352-F354 VanDerWaalsContact CB-CE2 3.49Å; H352-F354 HydrophobicContact CB-CZ 4.09Å; F354-D358 HydrophobicContact CB-CB 4.33Å; F354-D358 HydrophobicContact CD1-CB 4.08Å; F354-K361 HydrophobicContact CD1-CB 4.43Å; F354-K361 HydrophobicContact CE1-CB 4.07Å; F354-A362 HydrophobicContact CD2-CB 3.66Å; F354-A362 HydrophobicContact CE2-CB 3.98Å; F354-A362 HydrophobicContact CG-CB 4.21Å; F354-L365 HydrophobicContact CE2-CD1 4.23Å; F354-L365 HydrophobicContact CZ-CD1 3.6Å; F354-P374 HydrophobicContact CD2-CB 3.96Å; F354-P374 HydrophobicContact CE2-CB 4Å; F354-M375 PolarHBondContact N-O 2.93Å; F354-I376 HydrophobicContact CB-CD1 3.79Å; F354-I376 HydrophobicContact CD2-CD1 4.45Å; F354-I376 CarbonylContact O-C 3.59Å; F354-I376 WeakPolarHBondContact O-CA 3.21Å; F354-H377 PolarHBondContact O-CD2 2.83Å; F354-H377 PolarHBondContact O-N 3.2Å
355Q97.7Very high96.5Very high51 Ų5148.4 Ų48.424%0.23823%0.231CC..EExtended strand (participates in β ladder)trans-85.7157165.4-63.7-64-45.500109.1K357 D358 H377 F379Q355-K357 HydrophobicContact CB-CG 4.09Å; Q355-K357 PolarHBondContact O-N 2.85Å; Q355-K357 VanDerWaalsContact O-N 3.11Å; Q355-D358 WeakPolarHBondContact O-CA 3.15Å; Q355-D358 PolarHBondContact O-N 3.43Å; Q355-H377 CarbonylContact C-O 3.57Å; Q355-F379 PolarHBondContact OE1-O 3.22Å
356L98.1Very high96.3Very high9 Ų945.2 Ų45.25%0.04722%0.219CC..G310 helixtrans-49.9-39.9177.7178.560.5000112.9K13 A15 I26 D358 I359 I376 H377 L378K13-L356 HydrophobicContact CB-CD2 3.9Å; A15-L356 HydrophobicContact CB-CD1 3.91Å; I26-L356 HydrophobicContact CD1-CD1 4.43Å; I26-L356 HydrophobicContact CD1-CG 4.25Å; I26-L356 WeakPolarHBondContact CD1-O 3.37Å; L356-D358 PolarHBondContact O-N 3.25Å; L356-D358 VanDerWaalsContact O-N 3.13Å; L356-I359 HydrophobicContact CD1-CD1 4.36Å; L356-I359 WeakPolarHBondContact O-CB 3.5Å; L356-I359 WeakPolarHBondContact O-CG2 3.48Å; L356-I359 PolarHBondContact O-N 2.88Å; L356-I359 VanDerWaalsContact O-N 3.14Å; L356-I376 HydrophobicContact CB-CG2 4.21Å; L356-I376 HydrophobicContact CD1-CG2 4.24Å; L356-H377 PolarHBondContact N-O 2.97Å; L356-L378 HydrophobicContact CB-CD1 4.25Å; L356-L378 HydrophobicContact CD1-CD1 3.81Å; L356-L378 HydrophobicContact CD2-CD1 3.86Å; L356-L378 HydrophobicContact CG-CD1 4.17Å
357K97.6Very high95.9Very high154 Ų15452.9 Ų52.967%0.6725%0.248SC*.G310 helixtrans-60.4-22.9177.870.8-179.5-178.9179.90114.7Q355Q355-K357 HydrophobicContact CB-CG 4.09Å; Q355-K357 PolarHBondContact O-N 2.85Å; Q355-K357 VanDerWaalsContact O-N 3.11Å
358D97.5Very high95.5Very high39 Ų3954.2 Ų54.221%0.20926%0.255CS..G310 helixtrans-102.39.7-176.9-68.1-68.7000112.3F354 Q355 L356 N360 K361F354-D358 HydrophobicContact CB-CB 4.33Å; F354-D358 HydrophobicContact CD1-CB 4.08Å; Q355-D358 WeakPolarHBondContact O-CA 3.15Å; Q355-D358 PolarHBondContact O-N 3.43Å; L356-D358 PolarHBondContact O-N 3.25Å; L356-D358 VanDerWaalsContact O-N 3.13Å; D358-N360 VanDerWaalsContact C-N 3.26Å; D358-N360 PolarHBondContact O-N 2.84Å; D358-N360 VanDerWaalsContact O-N 3.13Å; D358-K361 HydrophobicContact CB-CD 4.29Å; D358-K361 WeakPolarHBondContact O-CB 3.36Å; D358-K361 PolarHBondContact O-N 2.92Å; D358-K361 IonicContact OD1-NZ 2.77Å; D358-K361 PolarHBondContact OD1-NZ 3.07Å
359I98.2Very high95.1Very high0 Ų052 Ų520%025%0.252CS..Hα-helixtrans-55-35.3-173-167.4167.3000114A15 L24 I26 V48 F150 L356 K361 A362 F363 I376A15-I359 HydrophobicContact CB-CD1 4.04Å; A15-I359 HydrophobicContact CB-CG2 3.91Å; L24-I359 HydrophobicContact CB-CG2 4.26Å; L24-I359 HydrophobicContact CD1-CD1 3.91Å; L24-I359 HydrophobicContact CD1-CG1 4.12Å; L24-I359 HydrophobicContact CD1-CG2 3.94Å; I26-I359 HydrophobicContact CD1-CG2 3.96Å; V48-I359 HydrophobicContact CG2-CG1 4.44Å; F150-I359 HydrophobicContact CB-CD1 4.1Å; F150-I359 HydrophobicContact CD1-CD1 3.82Å; F150-I359 HydrophobicContact CD2-CD1 3.58Å; F150-I359 HydrophobicContact CE1-CD1 4.11Å; F150-I359 HydrophobicContact CE2-CD1 3.93Å; F150-I359 HydrophobicContact CG-CD1 3.57Å; F150-I359 HydrophobicContact CZ-CD1 4.19Å; L356-I359 HydrophobicContact CD1-CD1 4.36Å; L356-I359 WeakPolarHBondContact O-CB 3.5Å; L356-I359 WeakPolarHBondContact O-CG2 3.48Å; L356-I359 PolarHBondContact O-N 2.88Å; L356-I359 VanDerWaalsContact O-N 3.14Å; I359-K361 VanDerWaalsContact C-N 3.26Å; I359-K361 PolarHBondContact O-N 2.84Å; I359-A362 VanDerWaalsContact O-CB 3.25Å; I359-A362 WeakPolarHBondContact O-CB 3.38Å; I359-A362 PolarHBondContact O-N 3.29Å; I359-F363 HydrophobicContact CD1-CE2 4.32Å; I359-F363 HydrophobicContact CG1-CD2 4.22Å; I359-F363 HydrophobicContact CG1-CE2 3.99Å; I359-F363 WeakPolarHBondContact O-CD2 3.33Å; I359-F363 PolarHBondContact O-N 2.75Å; I359-I376 HydrophobicContact CB-CD1 4.4Å; I359-I376 HydrophobicContact CD1-CG1 4.2Å; I359-I376 HydrophobicContact CG1-CD1 3.99Å; I359-I376 HydrophobicContact CG1-CG1 4.08Å
360N98.4Very high94.6Very high45 Ų4557 Ų5724%0.24128%0.278CS..Hα-helixtrans-61-35.1177.4-70.9-60.4000112.3P23 L24 D358 A362 F363 D364P23-N360 WeakPolarHBondContact CA-OD1 3.33Å; L24-N360 PolarHBondContact N-OD1 2.83Å; L24-N360 PolarHBondContact O-ND2 2.64Å; D358-N360 VanDerWaalsContact C-N 3.26Å; D358-N360 PolarHBondContact O-N 2.84Å; D358-N360 VanDerWaalsContact O-N 3.13Å; N360-A362 VanDerWaalsContact C-N 3.26Å; N360-A362 PolarHBondContact O-N 2.6Å; N360-F363 WeakPolarHBondContact O-CB 3.48Å; N360-F363 PolarHBondContact O-N 2.9Å; N360-D364 PolarHBondContact O-N 2.97Å
361K97.4Very high94.2Very high115 Ų11556.5 Ų56.550%0.528%0.276SS..Hα-helixtrans-64.7-32.9175-62174.9-177.71590111.8F354 D358 I359 D364 L365F354-K361 HydrophobicContact CD1-CB 4.43Å; F354-K361 HydrophobicContact CE1-CB 4.07Å; D358-K361 HydrophobicContact CB-CD 4.29Å; D358-K361 WeakPolarHBondContact O-CB 3.36Å; D358-K361 PolarHBondContact O-N 2.92Å; D358-K361 IonicContact OD1-NZ 2.77Å; D358-K361 PolarHBondContact OD1-NZ 3.07Å; I359-K361 VanDerWaalsContact C-N 3.26Å; I359-K361 PolarHBondContact O-N 2.84Å; K361-D364 PolarHBondContact O-N 2.84Å; K361-L365 PolarHBondContact O-N 2.94Å
362A96.9Very high94.1Very high0 Ų054.6 Ų54.60%026%0.263CS..Hα-helixtrans-65.6-40.4175.600000111.8V48 F354 I359 N360 M366 P374 I376V48-A362 HydrophobicContact CG2-CB 4.12Å; F354-A362 HydrophobicContact CD2-CB 3.66Å; F354-A362 HydrophobicContact CE2-CB 3.98Å; F354-A362 HydrophobicContact CG-CB 4.21Å; I359-A362 VanDerWaalsContact O-CB 3.25Å; I359-A362 WeakPolarHBondContact O-CB 3.38Å; I359-A362 PolarHBondContact O-N 3.29Å; N360-A362 VanDerWaalsContact C-N 3.26Å; N360-A362 PolarHBondContact O-N 2.6Å; A362-M366 WeakPolarHBondContact O-CB 3.4Å; A362-M366 PolarHBondContact O-N 2.7Å; A362-M366 VanDerWaalsContact O-N 3.15Å; A362-P374 HydrophobicContact CB-CB 3.73Å; A362-P374 HydrophobicContact CB-CG 4.05Å; A362-I376 HydrophobicContact CB-CD1 3.67Å
363F96.5Very high94.1Very high17 Ų1752.5 Ų52.58%0.07525%0.253CS..Hα-helixtrans-62.9-42.8172.7-82.8-87.2000111.9L24 V48 D52 A53 L56 F150 I359 N360 M366 R367L24-F363 HydrophobicContact CD1-CD2 4.11Å; L24-F363 HydrophobicContact CD1-CE2 3.5Å; L24-F363 VanDerWaalsContact CD1-CE2 3.5Å; L24-F363 HydrophobicContact CD1-CZ 4.2Å; V48-F363 HydrophobicContact CG1-CD1 4.1Å; V48-F363 HydrophobicContact CG1-CD2 4.11Å; V48-F363 HydrophobicContact CG1-CE1 3.85Å; V48-F363 HydrophobicContact CG1-CE2 3.85Å; V48-F363 HydrophobicContact CG1-CG 4.23Å; V48-F363 HydrophobicContact CG1-CZ 3.73Å; V48-F363 HydrophobicContact CG2-CE2 4.43Å; D52-F363 HydrophobicContact CB-CE1 4.1Å; D52-F363 HydrophobicContact CB-CZ 3.94Å; A53-F363 HydrophobicContact CB-CD1 3.91Å; A53-F363 HydrophobicContact CB-CE1 3.87Å; L56-F363 HydrophobicContact CD2-CD1 4Å; L56-F363 HydrophobicContact CD2-CE1 3.88Å; L56-F363 HydrophobicContact CD2-CG 4.36Å; L56-F363 HydrophobicContact CD2-CZ 4.15Å; F150-F363 AromaticContact CE2-CE2 3.97Å; F150-F363 HydrophobicContact CE2-CE2 3.97Å; F150-F363 AromaticContact CE2-CZ 3.82Å; F150-F363 HydrophobicContact CE2-CZ 3.82Å; F150-F363 HydrophobicContact CZ-CE2 4.44Å; F150-F363 HydrophobicContact CZ-CZ 4.32Å; I359-F363 HydrophobicContact CD1-CE2 4.32Å; I359-F363 HydrophobicContact CG1-CD2 4.22Å; I359-F363 HydrophobicContact CG1-CE2 3.99Å; I359-F363 WeakPolarHBondContact O-CD2 3.33Å; I359-F363 PolarHBondContact O-N 2.75Å; N360-F363 WeakPolarHBondContact O-CB 3.48Å; N360-F363 PolarHBondContact O-N 2.9Å; F363-M366 HydrophobicContact CD1-CE 4.33Å; F363-M366 PolarHBondContact O-N 3.4Å; F363-R367 PolarHBondContact O-N 2.83Å
364D95.4Very high94.1Very high64 Ų6447.6 Ų47.634%0.34223%0.23SC..Hα-helixtrans-60.7-50.7178.1-69-37000112.1N360 K361 M366 R367 D368N360-D364 PolarHBondContact O-N 2.97Å; K361-D364 PolarHBondContact O-N 2.84Å; D364-M366 VanDerWaalsContact C-N 3.27Å; D364-M366 PolarHBondContact O-N 3.01Å; D364-R367 WeakPolarHBondContact O-CB 3.4Å; D364-R367 PolarHBondContact O-N 2.94Å; D364-R367 IonicContact OD1-CZ 3.54Å; D364-R367 VanDerWaalsContact OD1-CZ 3.23Å; D364-R367 IonicContact OD1-NH1 3.58Å; D364-R367 PolarHBondContact OD1-NH1 3.02Å; D364-R367 IonicContact OD1-NH2 3.98Å; D364-R367 PolarHBondContact OD1-NH2 2.95Å; D364-D368 VanDerWaalsContact O-CG 3.27Å; D364-D368 PolarHBondContact O-N 3.45Å
365L93.4Very high94.1Very high42 Ų4246.1 Ų46.122%0.2222%0.224CC..Hα-helixtrans-65-30.3179.5-69-173.7000113.8F354 K361 G369 I370 C371F354-L365 HydrophobicContact CE2-CD1 4.23Å; F354-L365 HydrophobicContact CZ-CD1 3.6Å; K361-L365 PolarHBondContact O-N 2.94Å; L365-G369 PolarHBondContact O-N 2.86Å; L365-I370 HydrophobicContact CD2-CB 4.47Å; L365-I370 HydrophobicContact CD2-CD1 4.01Å; L365-I370 PolarHBondContact O-N 3.11Å; L365-I370 VanDerWaalsContact O-N 3.15Å; L365-C371 HydrophobicContact CB-CB 4.11Å; L365-C371 PolarHBondContact O-N 2.77Å
366M92.2Very high94.1Very high6 Ų643.7 Ų43.73%0.0321%0.212CC..Hα-helixtrans-69.2-44.2174.9-175.2178.467.400110.8V48 C49 H50 A53 A362 F363 D364 D368 G369V48-M366 HydrophobicContact CG1-CE 4.06Å; V48-M366 HydrophobicContact CG1-SD 4.27Å; C49-M366 VanDerWaalsContact C-SD 3.51Å; C49-M366 WeakPolarHBondContact O-CE 3.37Å; H50-M366 VanDerWaalsContact CE1-CG 3.48Å; H50-M366 WeakPolarHBondContact CE1-CG 3.38Å; H50-M366 PolarHBondContact ND1-SD 3.22Å; H50-M366 VanDerWaalsContact ND1-SD 3.39Å; A53-M366 HydrophobicContact CB-CE 3.51Å; A362-M366 WeakPolarHBondContact O-CB 3.4Å; A362-M366 PolarHBondContact O-N 2.7Å; A362-M366 VanDerWaalsContact O-N 3.15Å; F363-M366 HydrophobicContact CD1-CE 4.33Å; F363-M366 PolarHBondContact O-N 3.4Å; D364-M366 VanDerWaalsContact C-N 3.27Å; D364-M366 PolarHBondContact O-N 3.01Å; M366-D368 VanDerWaalsContact C-N 3.28Å; M366-D368 PolarHBondContact O-N 3.41Å; M366-G369 PolarHBondContact O-N 2.84Å; M366-G369 VanDerWaalsContact O-N 3.15Å
367R89.4Confident94.1Very high162 Ų16245 Ų4561%0.61122%0.218SC*.Hα-helixtrans-59.9-39.8175.7-179.1-173.261.9-122-7.6111.7F363 D364 G369F363-R367 PolarHBondContact O-N 2.83Å; D364-R367 WeakPolarHBondContact O-CB 3.4Å; D364-R367 PolarHBondContact O-N 2.94Å; D364-R367 IonicContact OD1-CZ 3.54Å; D364-R367 VanDerWaalsContact OD1-CZ 3.23Å; D364-R367 IonicContact OD1-NH1 3.58Å; D364-R367 PolarHBondContact OD1-NH1 3.02Å; D364-R367 IonicContact OD1-NH2 3.98Å; D364-R367 PolarHBondContact OD1-NH2 2.95Å; R367-G369 PolarHBondContact O-N 2.95Å
368D88.8Confident94.1Very high94 Ų9438 Ų3850%0.50319%0.188SC..THydrogen-bonded Turntrans-77.7-0.8-178.6-60.7-11.2000112.8D364 M366 I370D364-D368 VanDerWaalsContact O-CG 3.27Å; D364-D368 PolarHBondContact O-N 3.45Å; M366-D368 VanDerWaalsContact C-N 3.28Å; M366-D368 PolarHBondContact O-N 3.41Å; D368-I370 HydrophobicContact CB-CD1 3.93Å; D368-I370 HydrophobicContact CB-CG1 4.13Å; D368-I370 PolarHBondContact O-N 2.86Å
369G85.9Confident93.9Very high27 Ų2738.5 Ų38.528%0.27819%0.189SC..THydrogen-bonded Turntrans70.116.6176.900000114.5L365 M366 R367L365-G369 PolarHBondContact O-N 2.86Å; M366-G369 PolarHBondContact O-N 2.84Å; M366-G369 VanDerWaalsContact O-N 3.15Å; R367-G369 PolarHBondContact O-N 2.95Å
370I85.9Confident92.9Very high105 Ų10542.3 Ų42.354%0.53822%0.22SC..  trans-84.2-29.4179.8-60.7170.1000110.5L365 D368L365-I370 HydrophobicContact CD2-CB 4.47Å; L365-I370 HydrophobicContact CD2-CD1 4.01Å; L365-I370 PolarHBondContact O-N 3.11Å; L365-I370 VanDerWaalsContact O-N 3.15Å; D368-I370 HydrophobicContact CB-CD1 3.93Å; D368-I370 HydrophobicContact CB-CG1 4.13Å; D368-I370 PolarHBondContact O-N 2.86Å
371C87.6Confident91.1Very high11 Ų1148.8 Ų48.87%0.07427%0.265CS..  trans-106.3147.5-175.6-167.50000112.8T351 H352 L365 R373 P374T351-C371 PolarHBondContact OG1-SG 2.94Å; H352-C371 PolarHBondContact ND1-SG 3.39Å; L365-C371 HydrophobicContact CB-CB 4.11Å; L365-C371 PolarHBondContact O-N 2.77Å; C371-R373 VanDerWaalsContact SG-C 3.51Å; C371-P374 HydrophobicContact CB-CG 4.36Å; C371-P374 WeakPolarHBondContact SG-CD 3.38Å; C371-P374 WeakPolarHBondContact SG-CG 3.38Å
372I91.5Very high90.7Very high17 Ų1745.5 Ų45.59%0.08725%0.253CS..SBendtrans-95.3-61.5171.2-61.2-62.9000109.8A206 L209 L235 F349 T351A206-I372 HydrophobicContact CB-CG2 3.87Å; L209-I372 HydrophobicContact CD1-CD1 3.99Å; L209-I372 HydrophobicContact CD1-CG1 4.36Å; L209-I372 HydrophobicContact CD1-CG2 4Å; L235-I372 HydrophobicContact CD2-CD1 3.95Å; L235-I372 HydrophobicContact CD2-CG1 3.61Å; F349-I372 HydrophobicContact CD1-CG2 4.17Å; T351-I372 HydrophobicContact CG2-CB 3.93Å; T351-I372 HydrophobicContact CG2-CG1 3.89Å; T351-I372 PolarHBondContact OG1-N 3.25Å; T351-I372 VanDerWaalsContact OG1-N 3.12Å
373R94.4Very high90.4Very high10 Ų1047.9 Ų47.94%0.03827%0.267CS..EExtended strand (participates in β ladder)trans-135.3111168.8-73.3-67.8-176.6-93.610.2110.6C49 E72 L175 A206 F349 I350 T351 C371C49-R373 PolarHBondContact SG-NH2 2.92Å; E72-R373 IonicContact OE1-CZ 3.26Å; E72-R373 IonicContact OE1-NE 2.71Å; E72-R373 IonicContact OE1-NH2 3.71Å; E72-R373 IonicContact OE2-NE 3.65Å; E72-R373 PolarHBondContact OE2-NE 2.86Å; L175-R373 HydrophobicContact CD1-CB 4.07Å; L175-R373 HydrophobicContact CD1-CG 4.23Å; L175-R373 HydrophobicContact CD2-CB 4.14Å; L175-R373 HydrophobicContact CD2-CG 4.07Å; A206-R373 HydrophobicContact CB-CG 3.84Å; F349-R373 HydrophobicContact CB-CG 4.48Å; F349-R373 WeakPolarHBondContact O-CB 3.43Å; F349-R373 PolarHBondContact O-N 2.79Å; F349-R373 VanDerWaalsContact O-N 3.11Å; I350-R373 WeakPolarHBondContact CA-O 3.48Å; T351-R373 PolarHBondContact N-O 2.86Å; C371-R373 VanDerWaalsContact SG-C 3.51Å
374P95.6Very high90.1Very high0 Ų049.6 Ų49.60%028%0.277CS..EExtended strand (participates in β ladder)trans-77.2130.7166.35.79.3000109.1G47 V48 F354 A362 C371G47-P374 WeakPolarHBondContact CA-O 3.46Å; V48-P374 HydrophobicContact CB-CG 4.05Å; V48-P374 PolarHBondContact N-O 2.77Å; V48-P374 WeakPolarHBondContact O-CD 3.28Å; F354-P374 HydrophobicContact CD2-CB 3.96Å; F354-P374 HydrophobicContact CE2-CB 4Å; A362-P374 HydrophobicContact CB-CB 3.73Å; A362-P374 HydrophobicContact CB-CG 4.05Å; C371-P374 HydrophobicContact CB-CG 4.36Å; C371-P374 WeakPolarHBondContact SG-CD 3.38Å; C371-P374 WeakPolarHBondContact SG-CG 3.38Å
375M97.1Very high89.8Confident0 Ų048.8 Ų48.80%027%0.273CS..EExtended strand (participates in β ladder)trans-98.3126.1171.7-73.8-57.1-62.300110.6S45 L175 I350 H352 H353 F354S45-M375 WeakPolarHBondContact OG-CE 3.44Å; L175-M375 HydrophobicContact CD1-SD 4.2Å; L175-M375 HydrophobicContact CD2-SD 3.57Å; L175-M375 VanDerWaalsContact CD2-SD 3.57Å; L175-M375 HydrophobicContact CG-SD 3.8Å; I350-M375 HydrophobicContact CB-CG 4.26Å; I350-M375 HydrophobicContact CD1-CG 3.96Å; I350-M375 HydrophobicContact CG1-CG 3.76Å; I350-M375 HydrophobicContact CG2-CB 4.07Å; I350-M375 HydrophobicContact CG2-CG 3.52Å; H352-M375 PolarHBondContact O-N 2.87Å; H353-M375 CarbonylContact C-O 3.56Å; H353-M375 WeakPolarHBondContact CA-O 3.38Å; F354-M375 PolarHBondContact N-O 2.93Å
376I98.2Very high89.5Confident0 Ų049.2 Ų49.20%028%0.277CS..EExtended strand (participates in β ladder)trans-95.4122.1173.9-48.6-53.3000108.6S45 S46 V48 F354 L356 I359 A362 L378S45-I376 CarbonylContact C-O 3.6Å; S45-I376 WeakPolarHBondContact CA-O 3.26Å; S45-I376 WeakPolarHBondContact CB-O 3.41Å; S46-I376 PolarHBondContact N-O 3.2Å; S46-I376 WeakPolarHBondContact O-CB 3.44Å; S46-I376 PolarHBondContact O-N 2.92Å; V48-I376 HydrophobicContact CG2-CD1 3.79Å; V48-I376 HydrophobicContact CG2-CG1 3.59Å; F354-I376 HydrophobicContact CB-CD1 3.79Å; F354-I376 HydrophobicContact CD2-CD1 4.45Å; F354-I376 CarbonylContact O-C 3.59Å; F354-I376 WeakPolarHBondContact O-CA 3.21Å; L356-I376 HydrophobicContact CB-CG2 4.21Å; L356-I376 HydrophobicContact CD1-CG2 4.24Å; I359-I376 HydrophobicContact CB-CD1 4.4Å; I359-I376 HydrophobicContact CD1-CG1 4.2Å; I359-I376 HydrophobicContact CG1-CD1 3.99Å; I359-I376 HydrophobicContact CG1-CG1 4.08Å; A362-I376 HydrophobicContact CB-CD1 3.67Å; I376-L378 WeakPolarHBondContact O-CD2 3.48Å
377H98Very high89.4Confident36 Ų3652.1 Ų52.117%0.16729%0.293CS..EExtended strand (participates in β ladder)trans-91.2124.1169.6-57.7-84000108.8H353 F354 Q355 L356H353-H377 AromaticContact CG-NE2 3.62Å; H353-H377 AromaticContact ND1-CE1 3.71Å; H353-H377 AromaticContact ND1-NE2 3.05Å; H353-H377 PolarHBondContact ND1-NE2 2.73Å; F354-H377 PolarHBondContact O-CD2 2.83Å; F354-H377 PolarHBondContact O-N 3.2Å; Q355-H377 CarbonylContact C-O 3.57Å; L356-H377 PolarHBondContact N-O 2.97Å
378L97.8Very high89.4Confident8 Ų844.2 Ų44.24%0.04227%0.27CS..SBendtrans-81.3-28.8-173.7-74.3-60000111.6I43 Y44 E152 L356 I376I43-L378 HydrophobicContact CB-CG 4.43Å; I43-L378 HydrophobicContact CG2-CD2 3.84Å; I43-L378 HydrophobicContact CG2-CG 4.1Å; I43-L378 VanDerWaalsContact O-CB 3.25Å; I43-L378 WeakPolarHBondContact O-CB 3.23Å; I43-L378 WeakPolarHBondContact O-CG 3.31Å; Y44-L378 PolarHBondContact O-N 2.92Å; E152-L378 HydrophobicContact CG-CB 4.25Å; L356-L378 HydrophobicContact CB-CD1 4.25Å; L356-L378 HydrophobicContact CD1-CD1 3.81Å; L356-L378 HydrophobicContact CD2-CD1 3.86Å; L356-L378 HydrophobicContact CG-CD1 4.17Å; I376-L378 WeakPolarHBondContact O-CD2 3.48Å
379F93.8Very high89.4Confident49 Ų4940.4 Ų40.422%0.21525%0.253CS..SBendtrans-111145175-57.3-79.2000109.8K42 I43 Y44 E152 Y153 Q355K42-F379 HydrophobicContact CD-CE2 4.13Å; K42-F379 HydrophobicContact CD-CZ 4Å; K42-F379 HydrophobicContact CG-CE2 3.68Å; K42-F379 HydrophobicContact CG-CZ 3.63Å; I43-F379 WeakPolarHBondContact O-CE2 3.48Å; Y44-F379 HydrophobicContact CD1-CD2 4.24Å; E152-F379 HydrophobicContact CB-CE1 4Å; E152-F379 HydrophobicContact CB-CZ 3.68Å; E152-F379 HydrophobicContact CG-CD1 4.35Å; E152-F379 HydrophobicContact CG-CE1 3.72Å; E152-F379 HydrophobicContact CG-CZ 3.8Å; E152-F379 VanDerWaalsContact OE1-CD1 3.23Å; E152-F379 WeakPolarHBondContact OE1-CD1 3.23Å; E152-F379 WeakPolarHBondContact OE1-CE1 3.18Å; Y153-F379 HydrophobicContact CE2-CZ 4.49Å; Q355-F379 PolarHBondContact OE1-O 3.22Å
380A75.9Confident89.7Confident81 Ų8141.5 Ų41.567%0.66925%0.25SS*.  trans-60.7143.2169.400000109.9
381P60.5Low90Very high181 Ų18135.7 Ų35.7100%1.17522%0.224SC*.  trans-62.10179.825.7-33.9000113.6

Retrieved 381 of 381 residues in 80.5 ms (Link to these results)

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