A0A077ZPC3_TRITR Loading...

Tau tubulin kinase 1

AlphaFold DB , UniProt , Accession A0A077ZPC3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 339 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
1M31.4Very low65.6Low218 Ų218112.4 Ų112.4100%1.07460%0.604SS**  0127.40-64.7-153.2-103.800107.6N3M1-N3 PolarHBondContact O-N 2.94Å
2P40.6Very low67.9Low123 Ų123108.3 Ų108.380%0.79958%0.582SS**  trans-61.5132.6179.114-6.5000107.2E4P2-E4 PolarHBondContact O-N 3.46Å
3N46.4Very low69.8Low121 Ų121103.9 Ų103.965%0.64756%0.558SS**  trans-38.5101.1-179.2-70.7-32.1000109.8M1 L5M1-N3 PolarHBondContact O-N 2.94Å; N3-L5 PolarHBondContact O-N 3.26Å
4E49.1Very low71.4Confident165 Ų16596.5 Ų96.577%0.77152%0.518SS*.  trans-56.2115.4176.3-83.8179.7145.800106P2 C6P2-E4 PolarHBondContact O-N 3.46Å; E4-C6 PolarHBondContact O-N 3.45Å; E4-C6 VanDerWaalsContact O-N 3.16Å
5L54.7Low72.7Confident116 Ų11697.4 Ų97.461%0.60752%0.515SS*.  trans-49.3127.9172.5-87.5120.3000106.6N3 S7N3-L5 PolarHBondContact O-N 3.26Å; L5-S7 PolarHBondContact O-N 3.23Å
6C64Low73.8Confident26 Ų2699.9 Ų99.918%0.17653%0.529CS..  trans-65.480.9173.6-171.50000107.8E4 Y33 V49 F87E4-C6 PolarHBondContact O-N 3.45Å; E4-C6 VanDerWaalsContact O-N 3.16Å; C6-Y33 PolarHBondContact O-OH 2.86Å; C6-V49 HydrophobicContact CB-CG2 4.48Å; C6-F87 WeakPolarHBondContact SG-CB 3.28Å
7S77.5Confident75.1Confident71 Ų7197.5 Ų97.550%0.49751%0.511SS..  trans-105.3101.5-179.8-164.60000108L5 Y33L5-S7 PolarHBondContact O-N 3.23Å; S7-Y33 VanDerWaalsContact CA-OH 3.27Å; S7-Y33 WeakPolarHBondContact CA-OH 3.3Å
8L86.2Confident76.3Confident20 Ų2092.3 Ų92.311%0.10548%0.483CS..PPolyproline II helixtrans-73.5139.6174.9-54.6-175.7000109.7L12 L14 V20 Y33 L47 V49 F87L8-L12 HydrophobicContact CB-CD2 4.02Å; L8-L12 HydrophobicContact CD1-CD2 4.35Å; L8-L12 HydrophobicContact CD2-CD2 3.75Å; L8-L12 HydrophobicContact CG-CD2 4.24Å; L8-L14 HydrophobicContact CD1-CD1 4.2Å; L8-L14 HydrophobicContact CD1-CD2 4.22Å; L8-V20 HydrophobicContact CB-CG1 4.4Å; L8-V20 HydrophobicContact CB-CG2 4.2Å; L8-V20 HydrophobicContact CD1-CG2 4.08Å; L8-Y33 HydrophobicContact CB-CE1 4.17Å; L8-Y33 HydrophobicContact CB-CE2 4.2Å; L8-Y33 HydrophobicContact CD1-CD2 4.35Å; L8-Y33 HydrophobicContact CD1-CE2 4.21Å; L8-Y33 HydrophobicContact CG-CE2 4.1Å; L8-Y33 PolarHBondContact N-OH 2.9Å; L8-L47 HydrophobicContact CD1-CD2 3.7Å; L8-V49 HydrophobicContact CD1-CG1 3.82Å; L8-V49 HydrophobicContact CD1-CG2 4.48Å; L8-F87 HydrophobicContact CD1-CE2 4.48Å; L8-F87 HydrophobicContact CD1-CZ 4.48Å; L8-F87 HydrophobicContact CD2-CD1 4.35Å; L8-F87 HydrophobicContact CD2-CE1 3.87Å; L8-F87 HydrophobicContact CD2-CZ 3.95Å
9K88.7Confident77.3Confident171 Ų17190 Ų9074%0.74347%0.47SS*.PPolyproline II helixtrans-78.6144.6174.7-65.4-174.9179.6-177.80110L12K9-L12 WeakPolarHBondContact O-CB 3.47Å; K9-L12 PolarHBondContact O-N 3.06Å; K9-L12 VanDerWaalsContact O-N 3.16Å
10E92Very high78.3Confident157 Ų15785.6 Ų85.673%0.73445%0.448SS*.THydrogen-bonded Turntrans-56.3141.8166.7179.7168.7-174.100110.3L12 C21E10-L12 VanDerWaalsContact C-N 3.26Å; E10-L12 PolarHBondContact O-N 3.42Å; E10-C21 WeakPolarHBondContact CB-O 3.41Å; E10-C21 WeakPolarHBondContact CG-O 3.4Å
11G91.4Very high79Confident48 Ų4882.5 Ų82.550%0.49543%0.433SS..THydrogen-bonded Turntrans82.1-11.1-17400000114.9L13 V20G11-L13 PolarHBondContact O-N 2.67Å; G11-V20 PolarHBondContact N-O 3.49Å
12L92.7Very high81.9Confident64 Ų6476.3 Ų76.334%0.33540%0.401SS..  trans-59.2131.3174-179.668.5000110.2L8 K9 E10 L14 M19 V20L8-L12 HydrophobicContact CB-CD2 4.02Å; L8-L12 HydrophobicContact CD1-CD2 4.35Å; L8-L12 HydrophobicContact CD2-CD2 3.75Å; L8-L12 HydrophobicContact CG-CD2 4.24Å; K9-L12 WeakPolarHBondContact O-CB 3.47Å; K9-L12 PolarHBondContact O-N 3.06Å; K9-L12 VanDerWaalsContact O-N 3.16Å; E10-L12 VanDerWaalsContact C-N 3.26Å; E10-L12 PolarHBondContact O-N 3.42Å; L12-L14 HydrophobicContact CD2-CD1 4.09Å; L12-L14 HydrophobicContact CG-CD1 4.15Å; L12-M19 WeakPolarHBondContact O-CA 3.34Å; L12-V20 HydrophobicContact CB-CB 4.38Å; L12-V20 HydrophobicContact CB-CG2 4.13Å; L12-V20 PolarHBondContact O-N 2.78Å
13L92.4Very high84.3Confident51 Ų5174.8 Ų74.827%0.26738%0.382SS..EExtended strand (participates in β ladder)trans-105.5108.1179.7-17165.8000110.8G11 M19 K38G11-L13 PolarHBondContact O-N 2.67Å; L13-M19 HydrophobicContact CD1-CB 3.98Å; L13-K38 HydrophobicContact CD1-CD 3.82Å; L13-K38 HydrophobicContact CD1-CG 4.15Å; L13-K38 HydrophobicContact CD2-CD 4.2Å
14L92.4Very high86.1Confident0 Ų069.7 Ų69.70%036%0.355CS..EExtended strand (participates in β ladder)trans-84.3135.5176.4-67.279.1000110.1L8 L12 N16 R17 W18 V20 L47 F87 F89L8-L14 HydrophobicContact CD1-CD1 4.2Å; L8-L14 HydrophobicContact CD1-CD2 4.22Å; L12-L14 HydrophobicContact CD2-CD1 4.09Å; L12-L14 HydrophobicContact CG-CD1 4.15Å; L14-N16 PolarHBondContact O-N 2.78Å; L14-R17 PolarHBondContact O-N 3.48Å; L14-W18 HydrophobicContact CB-CB 4.26Å; L14-W18 PolarHBondContact N-O 3.3Å; L14-W18 PolarHBondContact O-N 3.13Å; L14-V20 HydrophobicContact CD1-CG2 3.39Å; L14-L47 HydrophobicContact CD1-CD2 4.02Å; L14-L47 HydrophobicContact CD2-CD1 4.03Å; L14-L47 HydrophobicContact CD2-CD2 3.77Å; L14-F87 HydrophobicContact CD2-CE2 3.64Å; L14-F87 HydrophobicContact CD2-CZ 3.87Å; L14-F87 HydrophobicContact CG-CZ 4.39Å; L14-F89 HydrophobicContact CD2-CG 4.44Å
15K90.4Very high87.7Confident110 Ų11062.2 Ų62.248%0.47832%0.322SS..THydrogen-bonded Turntrans48.532.6179.7-62.7-71.5-178.6179.70114.4R17 V83 F89K15-R17 PolarHBondContact O-N 3.18Å; K15-R17 VanDerWaalsContact O-N 3.08Å; K15-V83 PolarHBondContact NZ-O 3.4Å; K15-F89 HydrophobicContact CG-CE1 4.2Å; K15-F89 HydrophobicContact CG-CZ 3.8Å
16N90.6Very high88.9Confident137 Ų13758.7 Ų58.773%0.73331%0.31SS*.THydrogen-bonded Turntrans52.926-174.2-63.9-31.5000114L14L14-N16 PolarHBondContact O-N 2.78Å
17R95.5Very high89Confident59 Ų5958.1 Ų58.122%0.22331%0.309CS..THydrogen-bonded Turntrans-137.2-56.1-173.4-179.4177.6-177.1-172.9-1.9112.9L14 K15 M19 D37 K38 K39L14-R17 PolarHBondContact O-N 3.48Å; K15-R17 PolarHBondContact O-N 3.18Å; K15-R17 VanDerWaalsContact O-N 3.08Å; R17-M19 PolarHBondContact O-N 3.13Å; R17-D37 WeakPolarHBondContact CG-OD1 3.45Å; R17-D37 IonicContact CZ-OD1 2.69Å; R17-D37 IonicContact CZ-OD2 3.97Å; R17-D37 IonicContact NE-OD1 3.69Å; R17-D37 PolarHBondContact NE-OD1 2.93Å; R17-D37 IonicContact NE-OD2 3.8Å; R17-D37 PolarHBondContact NE-OD2 3.47Å; R17-D37 IonicContact NH2-OD1 2.87Å; R17-D37 IonicContact NH2-OD2 3.89Å; R17-D37 PolarHBondContact NH2-OD2 3.27Å; R17-K38 WeakPolarHBondContact O-CB 3.38Å; R17-K38 PolarHBondContact O-N 3.33Å; R17-K39 HydrophobicContact CG-CB 4.43Å; R17-K39 HydrophobicContact CG-CD 4.21Å; R17-K39 HydrophobicContact CG-CG 4.07Å
18W96.8Very high88.2Confident4 Ų457.8 Ų57.82%0.01532%0.316CS..EExtended strand (participates in β ladder)trans-93.9105-169.3-55.6107.8000110.3L14 V35 D37 A45 W79 D80 V91L14-W18 HydrophobicContact CB-CB 4.26Å; L14-W18 PolarHBondContact N-O 3.3Å; L14-W18 PolarHBondContact O-N 3.13Å; W18-V35 HydrophobicContact CB-CB 4.26Å; W18-V35 HydrophobicContact CB-CG1 4.43Å; W18-V35 HydrophobicContact CB-CG2 4.34Å; W18-V35 HydrophobicContact CE3-CG2 3.86Å; W18-D37 HydrophobicContact CE3-CB 3.97Å; W18-D37 HydrophobicContact CH2-CB 4.1Å; W18-D37 HydrophobicContact CZ3-CB 3.47Å; W18-D37 VanDerWaalsContact CZ3-CB 3.47Å; W18-A45 HydrophobicContact CZ3-CB 3.92Å; W18-W79 HydrophobicContact CH2-CB 3.78Å; W18-W79 HydrophobicContact CH2-CG 4.27Å; W18-W79 HydrophobicContact CZ2-CB 3.89Å; W18-D80 HydrophobicContact CZ2-CB 4.01Å; W18-D80 PolarHBondContact NE1-OD2 3.02Å; W18-V91 HydrophobicContact CD2-CB 4.44Å; W18-V91 HydrophobicContact CD2-CG1 3.87Å; W18-V91 HydrophobicContact CD2-CG2 4.07Å; W18-V91 HydrophobicContact CE3-CG1 3.79Å; W18-V91 HydrophobicContact CG-CG2 4.05Å; W18-V91 HydrophobicContact CH2-CG1 3.77Å; W18-V91 HydrophobicContact CZ2-CB 4.26Å; W18-V91 HydrophobicContact CZ2-CG1 3.84Å; W18-V91 HydrophobicContact CZ3-CG1 3.72Å
19M96.4Very high87.1Confident49 Ų4962.6 Ų62.624%0.24134%0.336CS..EExtended strand (participates in β ladder)trans-87120.6179.3-175.3175.865.300109.7L12 L13 R17 C21 V35 K36L12-M19 WeakPolarHBondContact O-CA 3.34Å; L13-M19 HydrophobicContact CD1-CB 3.98Å; R17-M19 PolarHBondContact O-N 3.13Å; M19-C21 PolarHBondContact O-N 3.38Å; M19-V35 CarbonylContact O-C 3.54Å; M19-V35 WeakPolarHBondContact O-CA 3.41Å; M19-V35 WeakPolarHBondContact O-CB 3.4Å; M19-K36 HydrophobicContact CE-CB 4.27Å; M19-K36 HydrophobicContact CE-CD 4.31Å; M19-K36 PolarHBondContact N-O 3.42Å; M19-K36 PolarHBondContact O-N 3.27Å
20V96Very high86.6Confident2 Ų255.3 Ų55.31%0.01231%0.31CS..EExtended strand (participates in β ladder)trans-66.7126.4175.3-179.10000109.6L8 G11 L12 L14 Y33 V35 L47L8-V20 HydrophobicContact CB-CG1 4.4Å; L8-V20 HydrophobicContact CB-CG2 4.2Å; L8-V20 HydrophobicContact CD1-CG2 4.08Å; G11-V20 PolarHBondContact N-O 3.49Å; L12-V20 HydrophobicContact CB-CB 4.38Å; L12-V20 HydrophobicContact CB-CG2 4.13Å; L12-V20 PolarHBondContact O-N 2.78Å; L14-V20 HydrophobicContact CD1-CG2 3.39Å; V20-Y33 HydrophobicContact CG1-CD1 3.65Å; V20-Y33 HydrophobicContact CG1-CE1 4.3Å; V20-Y33 HydrophobicContact CG1-CG 4.13Å; V20-V35 HydrophobicContact CG2-CG1 4.2Å; V20-L47 HydrophobicContact CG2-CD2 4.06Å
21C93.8Very high86.4Confident21 Ų2148 Ų4814%0.14228%0.276CS..EExtended strand (participates in β ladder)trans-108.5-76.2176.9-62.10000109.6E10 M19 V34E10-C21 WeakPolarHBondContact CB-O 3.41Å; E10-C21 WeakPolarHBondContact CG-O 3.4Å; M19-C21 PolarHBondContact O-N 3.38Å; C21-V34 PolarHBondContact N-O 3.16Å
22Q91.8Very high86.4Confident87 Ų8745.7 Ų45.741%0.40725%0.253SS..EExtended strand (participates in β ladder)trans-119.9140.4-171.4-175.6179.24.900110.5Y33 V34 E315Q22-Y33 CarbonylContact O-C 3.49Å; Q22-Y33 WeakPolarHBondContact O-CA 3.28Å; Q22-Y33 WeakPolarHBondContact O-CB 3.38Å; Q22-V34 HydrophobicContact CB-CB 4.35Å; Q22-V34 HydrophobicContact CB-CG2 4.38Å; Q22-V34 PolarHBondContact N-O 2.96Å; Q22-V34 PolarHBondContact O-N 3.13Å; Q22-E315 PolarHBondContact NE2-OE2 3.46Å
23K90.6Very high86.5Confident91 Ų9142.8 Ų42.840%0.39624%0.237SC..EExtended strand (participates in β ladder)trans-79.2124.4168.5-172.1175.8-178.2178.60109.2A26 Y33K23-A26 VanDerWaalsContact CE-CB 3.41Å; K23-Y33 HydrophobicContact CB-CD1 3.81Å; K23-Y33 HydrophobicContact CB-CE1 3.64Å; K23-Y33 HydrophobicContact CD-CE1 4.06Å; K23-Y33 HydrophobicContact CG-CD1 4.08Å; K23-Y33 HydrophobicContact CG-CE1 3.65Å
24L85.9Confident86.7Confident14 Ų1440.9 Ų40.97%0.07323%0.227CC..EExtended strand (participates in β ladder)trans-90-36.2177-66.1179.3000111.4V32 V34 L94 N318 Y320 E321L24-V32 WeakPolarHBondContact CA-O 3.48Å; L24-V32 HydrophobicContact CB-CB 4.2Å; L24-V32 HydrophobicContact CB-CG1 4.46Å; L24-V32 WeakPolarHBondContact CB-O 3.31Å; L24-V32 HydrophobicContact CD1-CG1 4.22Å; L24-V32 PolarHBondContact N-O 3.49Å; L24-V34 HydrophobicContact CD1-CG2 3.71Å; L24-V34 HydrophobicContact CD2-CG2 3.54Å; L24-V34 HydrophobicContact CG-CG2 3.72Å; L24-L94 HydrophobicContact CD1-CD1 3.87Å; L24-N318 WeakPolarHBondContact CA-ND2 3.26Å; L24-N318 VanDerWaalsContact CB-ND2 3.3Å; L24-N318 WeakPolarHBondContact CB-ND2 3.48Å; L24-N318 HydrophobicContact CD2-CB 4.47Å; L24-N318 WeakPolarHBondContact CD2-ND2 3.43Å; L24-N318 PolarHBondContact O-ND2 3.09Å; L24-Y320 HydrophobicContact CB-CD2 4.41Å; L24-Y320 HydrophobicContact CD1-CD2 3.53Å; L24-Y320 HydrophobicContact CD1-CE2 3.95Å; L24-E321 WeakPolarHBondContact O-CB 3.32Å
25G81.8Confident86.9Confident8 Ų840.9 Ų40.98%0.08223%0.227CC..EExtended strand (participates in β ladder)trans-173.6162.6-179.100000111.8A31 V32G25-A31 CarbonylContact O-C 3.54Å; G25-A31 WeakPolarHBondContact O-CA 3.48Å; G25-A31 WeakPolarHBondContact O-CB 3.46Å; G25-V32 PolarHBondContact N-O 2.84Å; G25-V32 PolarHBondContact O-N 3.45Å
26A79.4Confident87.2Confident42 Ų4238.9 Ų38.935%0.34722%0.219SC..EExtended strand (participates in β ladder)trans-142.4137.9170.100000111.1K23 G30 A31K23-A26 VanDerWaalsContact CE-CB 3.41Å; A26-G30 WeakPolarHBondContact CA-O 3.49Å; A26-A31 HydrophobicContact CB-CB 4.05Å
27G66.9Low87.5Confident15 Ų1532.6 Ų32.616%0.15519%0.185CC..  trans-107.1-173164.600000110.6F29 G30G27-F29 PolarHBondContact O-N 3.26Å; G27-F29 VanDerWaalsContact O-N 3.09Å; G27-G30 PolarHBondContact N-O 2.89Å
28G60.3Low87.4Confident63 Ų6335.6 Ų35.665%0.64920%0.2SC*.SBendtrans-62-19.3-17700000115.4
29F63.3Low87.2Confident121 Ų12143 Ų4353%0.53123%0.232SC..SBendtrans-134.3-1.2-168.7-54.5-65.3000114.5G27 S51 V54G27-F29 PolarHBondContact O-N 3.26Å; G27-F29 VanDerWaalsContact O-N 3.09Å; F29-S51 PolarHBondContact O-N 3.19Å; F29-V54 HydrophobicContact CB-CG1 4.1Å; F29-V54 HydrophobicContact CB-CG2 3.86Å; F29-V54 HydrophobicContact CD1-CG1 4.21Å; F29-V54 HydrophobicContact CD1-CG2 3.93Å; F29-V54 HydrophobicContact CG-CG1 4.2Å; F29-V54 HydrophobicContact CG-CG2 4.28Å
30G77.3Confident86.9Confident19 Ų1944.2 Ų44.220%0.19624%0.24CC..EExtended strand (participates in β ladder)trans-167.2169.9-175.500000112.6A26 G27 V49A26-G30 WeakPolarHBondContact CA-O 3.49Å; G27-G30 PolarHBondContact N-O 2.89Å; G30-V49 CarbonylContact C-O 3.59Å; G30-V49 WeakPolarHBondContact CA-O 3.12Å
31A88.7Confident86.5Confident3 Ų351.2 Ų51.23%0.02528%0.277CS..EExtended strand (participates in β ladder)trans-144.1156.7-179.500000110.7G25 A26 Y33 K48 V49G25-A31 CarbonylContact O-C 3.54Å; G25-A31 WeakPolarHBondContact O-CA 3.48Å; G25-A31 WeakPolarHBondContact O-CB 3.46Å; A26-A31 HydrophobicContact CB-CB 4.05Å; A31-Y33 HydrophobicContact CB-CD2 4.39Å; A31-Y33 HydrophobicContact CB-CE2 3.49Å; A31-Y33 VanDerWaalsContact CB-CE2 3.49Å; A31-K48 WeakPolarHBondContact O-CA 3.31Å; A31-V49 HydrophobicContact CB-CG2 4.14Å; A31-V49 PolarHBondContact N-O 3.32Å; A31-V49 VanDerWaalsContact N-O 3.08Å; A31-V49 PolarHBondContact O-N 3.05Å
32V92.1Very high86.2Confident0 Ų054.4 Ų54.40%029%0.292CS..EExtended strand (participates in β ladder)trans-117139.9174.2-161.20000109L24 G25 A46 L47 K48 Y320 M324L24-V32 WeakPolarHBondContact CA-O 3.48Å; L24-V32 HydrophobicContact CB-CB 4.2Å; L24-V32 HydrophobicContact CB-CG1 4.46Å; L24-V32 WeakPolarHBondContact CB-O 3.31Å; L24-V32 HydrophobicContact CD1-CG1 4.22Å; L24-V32 PolarHBondContact N-O 3.49Å; G25-V32 PolarHBondContact N-O 2.84Å; G25-V32 PolarHBondContact O-N 3.45Å; V32-A46 HydrophobicContact CG1-CB 4.46Å; V32-L47 CarbonylContact C-O 3.56Å; V32-L47 VanDerWaalsContact CA-O 3.26Å; V32-L47 WeakPolarHBondContact CA-O 3.29Å; V32-K48 HydrophobicContact CB-CG 4.48Å; V32-K48 HydrophobicContact CG1-CG 4.04Å; V32-K48 HydrophobicContact CG2-CG 3.88Å; V32-Y320 HydrophobicContact CB-CG 4.13Å; V32-Y320 HydrophobicContact CG1-CD1 4.01Å; V32-Y320 HydrophobicContact CG1-CD2 3.94Å; V32-Y320 HydrophobicContact CG1-CE1 4.45Å; V32-Y320 HydrophobicContact CG1-CE2 4.38Å; V32-Y320 HydrophobicContact CG1-CG 3.72Å; V32-Y320 HydrophobicContact CG2-CD1 4.23Å; V32-Y320 HydrophobicContact CG2-CG 4.15Å; V32-M324 HydrophobicContact CG2-CE 3.28Å; V32-M324 HydrophobicContact CG2-CG 4.4Å
33Y94.6Very high86.2Confident3 Ų354.2 Ų54.21%0.01229%0.294CS..EExtended strand (participates in β ladder)trans-132.4151179.8-60.4-94.7000110.5C6 S7 L8 V20 Q22 K23 A31 A46 L47 V49C6-Y33 PolarHBondContact O-OH 2.86Å; S7-Y33 VanDerWaalsContact CA-OH 3.27Å; S7-Y33 WeakPolarHBondContact CA-OH 3.3Å; L8-Y33 HydrophobicContact CB-CE1 4.17Å; L8-Y33 HydrophobicContact CB-CE2 4.2Å; L8-Y33 HydrophobicContact CD1-CD2 4.35Å; L8-Y33 HydrophobicContact CD1-CE2 4.21Å; L8-Y33 HydrophobicContact CG-CE2 4.1Å; L8-Y33 PolarHBondContact N-OH 2.9Å; V20-Y33 HydrophobicContact CG1-CD1 3.65Å; V20-Y33 HydrophobicContact CG1-CE1 4.3Å; V20-Y33 HydrophobicContact CG1-CG 4.13Å; Q22-Y33 CarbonylContact O-C 3.49Å; Q22-Y33 WeakPolarHBondContact O-CA 3.28Å; Q22-Y33 WeakPolarHBondContact O-CB 3.38Å; K23-Y33 HydrophobicContact CB-CD1 3.81Å; K23-Y33 HydrophobicContact CB-CE1 3.64Å; K23-Y33 HydrophobicContact CD-CE1 4.06Å; K23-Y33 HydrophobicContact CG-CD1 4.08Å; K23-Y33 HydrophobicContact CG-CE1 3.65Å; A31-Y33 HydrophobicContact CB-CD2 4.39Å; A31-Y33 HydrophobicContact CB-CE2 3.49Å; A31-Y33 VanDerWaalsContact CB-CE2 3.49Å; Y33-A46 CarbonylContact O-C 3.54Å; Y33-A46 WeakPolarHBondContact O-CA 3.43Å; Y33-L47 HydrophobicContact CD2-CD2 4.41Å; Y33-L47 PolarHBondContact N-O 2.88Å; Y33-L47 PolarHBondContact O-N 3.19Å; Y33-V49 HydrophobicContact CD2-CG2 4.34Å; Y33-V49 HydrophobicContact CE2-CG2 3.78Å
34V95.7Very high86.4Confident10 Ų1054 Ų546%0.06130%0.295CS..EExtended strand (participates in β ladder)trans-76.6131.9155.6-176.20000107.7C21 Q22 L24 E44 A45 L94C21-V34 PolarHBondContact N-O 3.16Å; Q22-V34 HydrophobicContact CB-CB 4.35Å; Q22-V34 HydrophobicContact CB-CG2 4.38Å; Q22-V34 PolarHBondContact N-O 2.96Å; Q22-V34 PolarHBondContact O-N 3.13Å; L24-V34 HydrophobicContact CD1-CG2 3.71Å; L24-V34 HydrophobicContact CD2-CG2 3.54Å; L24-V34 HydrophobicContact CG-CG2 3.72Å; V34-E44 HydrophobicContact CG1-CB 4.19Å; V34-E44 HydrophobicContact CG1-CG 4.15Å; V34-A45 WeakPolarHBondContact CA-O 3.17Å; V34-L94 HydrophobicContact CG1-CD2 4.34Å; V34-L94 HydrophobicContact CG2-CD1 4.45Å; V34-L94 HydrophobicContact CG2-CD2 4.36Å
35V97Very high87Confident0 Ų053.5 Ų53.50%029%0.292CS..EExtended strand (participates in β ladder)trans-122.5153.6169.2-68.20000110.5W18 M19 V20 E44 A45 L47 V91W18-V35 HydrophobicContact CB-CB 4.26Å; W18-V35 HydrophobicContact CB-CG1 4.43Å; W18-V35 HydrophobicContact CB-CG2 4.34Å; W18-V35 HydrophobicContact CE3-CG2 3.86Å; M19-V35 CarbonylContact O-C 3.54Å; M19-V35 WeakPolarHBondContact O-CA 3.41Å; M19-V35 WeakPolarHBondContact O-CB 3.4Å; V20-V35 HydrophobicContact CG2-CG1 4.2Å; V35-E44 CarbonylContact O-C 3.59Å; V35-E44 WeakPolarHBondContact O-CA 3.34Å; V35-A45 HydrophobicContact CG2-CB 3.92Å; V35-A45 WeakPolarHBondContact CG2-O 3.43Å; V35-A45 PolarHBondContact N-O 3.13Å; V35-A45 PolarHBondContact O-N 3.15Å; V35-L47 HydrophobicContact CB-CB 4.37Å; V35-L47 HydrophobicContact CG1-CB 3.47Å; V35-L47 VanDerWaalsContact CG1-CB 3.47Å; V35-L47 HydrophobicContact CG1-CD2 3.55Å; V35-L47 HydrophobicContact CG1-CG 4.1Å; V35-L47 HydrophobicContact CG2-CB 3.95Å; V35-V91 HydrophobicContact CG2-CG1 4.1Å
36K97Very high87.7Confident68 Ų6853.1 Ų53.130%0.29629%0.288SS..EExtended strand (participates in β ladder)trans-106.7136.1170.3-71.5178.9177.9-178.30110.9M19 K38 L42 N43 E44M19-K36 HydrophobicContact CE-CB 4.27Å; M19-K36 HydrophobicContact CE-CD 4.31Å; M19-K36 PolarHBondContact N-O 3.42Å; M19-K36 PolarHBondContact O-N 3.27Å; K36-K38 PolarHBondContact O-N 2.81Å; K36-L42 HydrophobicContact CB-CB 4.23Å; K36-L42 HydrophobicContact CB-CD2 4.3Å; K36-L42 HydrophobicContact CD-CB 4.3Å; K36-L42 WeakPolarHBondContact CG-O 3.43Å; K36-N43 WeakPolarHBondContact CA-O 3.17Å; K36-E44 HydrophobicContact CG-CG 4.3Å
37D96.6Very high88.4Confident5 Ų551.1 Ų51.13%0.02727%0.271CS..EExtended strand (participates in β ladder)trans-81.7103.7177.3-167.5-11.5000111.6R17 W18 K39 N40 L42 N43R17-D37 WeakPolarHBondContact CG-OD1 3.45Å; R17-D37 IonicContact CZ-OD1 2.69Å; R17-D37 IonicContact CZ-OD2 3.97Å; R17-D37 IonicContact NE-OD1 3.69Å; R17-D37 PolarHBondContact NE-OD1 2.93Å; R17-D37 IonicContact NE-OD2 3.8Å; R17-D37 PolarHBondContact NE-OD2 3.47Å; R17-D37 IonicContact NH2-OD1 2.87Å; R17-D37 IonicContact NH2-OD2 3.89Å; R17-D37 PolarHBondContact NH2-OD2 3.27Å; W18-D37 HydrophobicContact CE3-CB 3.97Å; W18-D37 HydrophobicContact CH2-CB 4.1Å; W18-D37 HydrophobicContact CZ3-CB 3.47Å; W18-D37 VanDerWaalsContact CZ3-CB 3.47Å; D37-K39 PolarHBondContact O-N 3.47Å; D37-K39 VanDerWaalsContact O-N 3.11Å; D37-K39 WeakPolarHBondContact OD1-CB 3.29Å; D37-K39 PolarHBondContact OD1-N 3.4Å; D37-N40 HydrophobicContact CB-CB 4.11Å; D37-N40 CarbonylContact O-C 3.44Å; D37-N40 PolarHBondContact O-N 2.82Å; D37-N40 VanDerWaalsContact O-N 3.15Å; D37-N40 VanDerWaalsContact OD2-CB 3.31Å; D37-N40 WeakPolarHBondContact OD2-CB 3.48Å; D37-L42 VanDerWaalsContact O-CA 3.24Å; D37-L42 WeakPolarHBondContact O-CA 3.48Å; D37-L42 PolarHBondContact O-N 2.98Å; D37-N43 PolarHBondContact N-O 2.94Å
38K94Very high89.7Confident122 Ų12250.7 Ų50.753%0.5327%0.265SS..THydrogen-bonded Turntrans-60.9-19.3175.2-79.8-159.1167.8-173.80114.1L13 R17 K36 L42L13-K38 HydrophobicContact CD1-CD 3.82Å; L13-K38 HydrophobicContact CD1-CG 4.15Å; L13-K38 HydrophobicContact CD2-CD 4.2Å; R17-K38 WeakPolarHBondContact O-CB 3.38Å; R17-K38 PolarHBondContact O-N 3.33Å; K36-K38 PolarHBondContact O-N 2.81Å; K38-L42 HydrophobicContact CG-CD2 4.2Å
39K92.1Very high91.3Very high160 Ų16047.9 Ų47.970%0.69624%0.236SC*.THydrogen-bonded Turntrans-93-12.2179.5-66.5-171.4179.3-173.80113.5R17 D37R17-K39 HydrophobicContact CG-CB 4.43Å; R17-K39 HydrophobicContact CG-CD 4.21Å; R17-K39 HydrophobicContact CG-CG 4.07Å; D37-K39 PolarHBondContact O-N 3.47Å; D37-K39 VanDerWaalsContact O-N 3.11Å; D37-K39 WeakPolarHBondContact OD1-CB 3.29Å; D37-K39 PolarHBondContact OD1-N 3.4Å
40N89.8Confident92.6Very high75 Ų7542.6 Ų42.640%0.40121%0.213SC..THydrogen-bonded Turntrans-137.272.5-174-170.616.6000111D37 L42 N43D37-N40 HydrophobicContact CB-CB 4.11Å; D37-N40 CarbonylContact O-C 3.44Å; D37-N40 PolarHBondContact O-N 2.82Å; D37-N40 VanDerWaalsContact O-N 3.15Å; D37-N40 VanDerWaalsContact OD2-CB 3.31Å; D37-N40 WeakPolarHBondContact OD2-CB 3.48Å; N40-L42 PolarHBondContact O-N 3.47Å; N40-N43 PolarHBondContact ND2-ND2 2.89Å; N40-N43 WeakPolarHBondContact O-CB 3.29Å; N40-N43 VanDerWaalsContact O-CG 3.24Å; N40-N43 PolarHBondContact O-N 2.74Å; N40-N43 PolarHBondContact O-ND2 3.2Å
41N88.5Confident93.1Very high149 Ų14942.6 Ų42.680%0.79721%0.21SC*.THydrogen-bonded Turntrans50.427.4174.1-64.4-17.1000115.8N43N41-N43 PolarHBondContact O-N 3.42Å
42L86.3Confident92.9Very high88 Ų8846.3 Ų46.346%0.46123%0.229SC..THydrogen-bonded Turntrans58.327.2-175.8-55.8174.8000113.8K36 D37 K38 N40K36-L42 HydrophobicContact CB-CB 4.23Å; K36-L42 HydrophobicContact CB-CD2 4.3Å; K36-L42 HydrophobicContact CD-CB 4.3Å; K36-L42 WeakPolarHBondContact CG-O 3.43Å; D37-L42 VanDerWaalsContact O-CA 3.24Å; D37-L42 WeakPolarHBondContact O-CA 3.48Å; D37-L42 PolarHBondContact O-N 2.98Å; K38-L42 HydrophobicContact CG-CD2 4.2Å; N40-L42 PolarHBondContact O-N 3.47Å
43N92.7Very high92.4Very high82 Ų8249.9 Ų49.944%0.43925%0.254SS..  trans-55.8141.8173.5-72.5-15.1000110.6K36 D37 N40 N41K36-N43 WeakPolarHBondContact CA-O 3.17Å; D37-N43 PolarHBondContact N-O 2.94Å; N40-N43 PolarHBondContact ND2-ND2 2.89Å; N40-N43 WeakPolarHBondContact O-CB 3.29Å; N40-N43 VanDerWaalsContact O-CG 3.24Å; N40-N43 PolarHBondContact O-N 2.74Å; N40-N43 PolarHBondContact O-ND2 3.2Å; N41-N43 PolarHBondContact O-N 3.42Å
44E95.4Very high91.4Very high88 Ų8851 Ų5141%0.41126%0.261SS..EExtended strand (participates in β ladder)trans-81.4143.4-177.8-64.8-177.7155.400112V34 V35 K36 L94 K149V34-E44 HydrophobicContact CG1-CB 4.19Å; V34-E44 HydrophobicContact CG1-CG 4.15Å; V35-E44 CarbonylContact O-C 3.59Å; V35-E44 WeakPolarHBondContact O-CA 3.34Å; K36-E44 HydrophobicContact CG-CG 4.3Å; E44-L94 HydrophobicContact CB-CD2 3.97Å; E44-K149 IonicContact OE2-NZ 2.83Å; E44-K149 PolarHBondContact OE2-NZ 2.78Å
45A96.6Very high90.2Very high2 Ų260 Ų602%0.01730%0.299CS..EExtended strand (participates in β ladder)trans-141.4162.2173.300000110.4W18 V34 V35 V91 M92W18-A45 HydrophobicContact CZ3-CB 3.92Å; V34-A45 WeakPolarHBondContact CA-O 3.17Å; V35-A45 HydrophobicContact CG2-CB 3.92Å; V35-A45 WeakPolarHBondContact CG2-O 3.43Å; V35-A45 PolarHBondContact N-O 3.13Å; V35-A45 PolarHBondContact O-N 3.15Å; A45-V91 HydrophobicContact CB-CG1 3.67Å; A45-M92 WeakPolarHBondContact CB-O 3.28Å
46A96.4Very high88.9Confident0 Ų062.2 Ų62.20%032%0.318CS..EExtended strand (participates in β ladder)trans-91127.7170.900000109.8V32 Y33 V91 M92 L94 Y320V32-A46 HydrophobicContact CG1-CB 4.46Å; Y33-A46 CarbonylContact O-C 3.54Å; Y33-A46 WeakPolarHBondContact O-CA 3.43Å; A46-V91 CarbonylContact O-C 3.56Å; A46-V91 WeakPolarHBondContact O-CA 3.49Å; A46-M92 HydrophobicContact CB-CE 4.19Å; A46-M92 HydrophobicContact CB-CG 4.09Å; A46-M92 PolarHBondContact N-O 3.43Å; A46-M92 PolarHBondContact O-N 2.93Å; A46-L94 HydrophobicContact CB-CD1 3.91Å; A46-Y320 HydrophobicContact CB-CE2 4.03Å
47L95.9Very high87.8Confident0 Ų061.2 Ų61.20%032%0.322CS..EExtended strand (participates in β ladder)trans-107.2112.3172.616870.1000109.1L8 L14 V20 V32 Y33 V35 V49 F89 L90 V91L8-L47 HydrophobicContact CD1-CD2 3.7Å; L14-L47 HydrophobicContact CD1-CD2 4.02Å; L14-L47 HydrophobicContact CD2-CD1 4.03Å; L14-L47 HydrophobicContact CD2-CD2 3.77Å; V20-L47 HydrophobicContact CG2-CD2 4.06Å; V32-L47 CarbonylContact C-O 3.56Å; V32-L47 VanDerWaalsContact CA-O 3.26Å; V32-L47 WeakPolarHBondContact CA-O 3.29Å; Y33-L47 HydrophobicContact CD2-CD2 4.41Å; Y33-L47 PolarHBondContact N-O 2.88Å; Y33-L47 PolarHBondContact O-N 3.19Å; V35-L47 HydrophobicContact CB-CB 4.37Å; V35-L47 HydrophobicContact CG1-CB 3.47Å; V35-L47 VanDerWaalsContact CG1-CB 3.47Å; V35-L47 HydrophobicContact CG1-CD2 3.55Å; V35-L47 HydrophobicContact CG1-CG 4.1Å; V35-L47 HydrophobicContact CG2-CB 3.95Å; L47-V49 HydrophobicContact CD1-CG1 3.95Å; L47-V49 HydrophobicContact CD2-CG1 4.17Å; L47-V49 HydrophobicContact CG-CG1 3.93Å; L47-F89 HydrophobicContact CD1-CB 3.74Å; L47-F89 HydrophobicContact CD1-CD2 4.16Å; L47-F89 HydrophobicContact CD1-CG 4.32Å; L47-L90 CarbonylContact C-O 3.51Å; L47-L90 WeakPolarHBondContact CA-O 3.45Å; L47-V91 HydrophobicContact CD1-CG2 3.85Å
48K94Very high87.2Confident6 Ų662.5 Ų62.53%0.02633%0.33CS..EExtended strand (participates in β ladder)trans-92.2135.7166.2-80-175170.7-174.40109.9A31 V32 L59 E62 F89 L90 M92A31-K48 WeakPolarHBondContact O-CA 3.31Å; V32-K48 HydrophobicContact CB-CG 4.48Å; V32-K48 HydrophobicContact CG1-CG 4.04Å; V32-K48 HydrophobicContact CG2-CG 3.88Å; K48-L59 HydrophobicContact CB-CD1 3.84Å; K48-L59 HydrophobicContact CD-CD1 4.33Å; K48-E62 IonicContact NZ-OE1 2.62Å; K48-E62 PolarHBondContact NZ-OE1 3.13Å; K48-E62 IonicContact NZ-OE2 3.42Å; K48-E62 PolarHBondContact NZ-OE2 3.05Å; K48-F89 CarbonylContact O-C 3.59Å; K48-F89 VanDerWaalsContact O-CA 3.24Å; K48-F89 WeakPolarHBondContact O-CA 3.21Å; K48-L90 HydrophobicContact CB-CB 4.36Å; K48-L90 PolarHBondContact N-O 3.24Å; K48-L90 PolarHBondContact O-N 3.35Å; K48-M92 HydrophobicContact CD-CE 3.59Å; K48-M92 HydrophobicContact CG-CE 3.85Å
49V92.8Very high87.1Confident4 Ų457 Ų572%0.02431%0.306CS..EExtended strand (participates in β ladder)trans-128.6146.9173.7-62.30000112.4C6 L8 G30 A31 Y33 L47 F87 R88 F89C6-V49 HydrophobicContact CB-CG2 4.48Å; L8-V49 HydrophobicContact CD1-CG1 3.82Å; L8-V49 HydrophobicContact CD1-CG2 4.48Å; G30-V49 CarbonylContact C-O 3.59Å; G30-V49 WeakPolarHBondContact CA-O 3.12Å; A31-V49 HydrophobicContact CB-CG2 4.14Å; A31-V49 PolarHBondContact N-O 3.32Å; A31-V49 VanDerWaalsContact N-O 3.08Å; A31-V49 PolarHBondContact O-N 3.05Å; Y33-V49 HydrophobicContact CD2-CG2 4.34Å; Y33-V49 HydrophobicContact CE2-CG2 3.78Å; L47-V49 HydrophobicContact CD1-CG1 3.95Å; L47-V49 HydrophobicContact CD2-CG1 4.17Å; L47-V49 HydrophobicContact CG-CG1 3.93Å; V49-F87 HydrophobicContact CB-CD2 4.1Å; V49-F87 HydrophobicContact CG1-CD2 3.8Å; V49-F87 HydrophobicContact CG1-CE2 3.99Å; V49-R88 CarbonylContact C-O 3.23Å; V49-R88 VanDerWaalsContact CA-O 3.29Å; V49-R88 WeakPolarHBondContact CA-O 3.39Å; V49-F89 HydrophobicContact CG1-CB 3.97Å
50E90.7Very high87Confident10 Ų1055.4 Ų55.45%0.04730%0.299CS..EExtended strand (participates in β ladder)trans-138.1133.5177.4179.5-176.270.500109.1V54 A57 V58 L59 F87 R88E50-V54 HydrophobicContact CG-CB 4.37Å; E50-V54 HydrophobicContact CG-CG2 4.46Å; E50-A57 WeakPolarHBondContact OE1-CA 3.07Å; E50-V58 WeakPolarHBondContact OE2-CG2 3.04Å; E50-V58 PolarHBondContact OE2-N 2.75Å; E50-L59 HydrophobicContact CB-CB 3.73Å; E50-L59 HydrophobicContact CB-CD2 3.68Å; E50-L59 HydrophobicContact CB-CG 4.36Å; E50-L59 HydrophobicContact CG-CB 4.34Å; E50-L59 WeakPolarHBondContact OE1-CB 3.4Å; E50-L59 PolarHBondContact OE1-N 2.88Å; E50-L59 PolarHBondContact OE2-N 2.89Å; E50-F87 CarbonylContact O-C 3.54Å; E50-F87 VanDerWaalsContact O-CA 3.28Å; E50-F87 WeakPolarHBondContact O-CA 3.28Å; E50-F87 WeakPolarHBondContact O-CB 3.45Å; E50-R88 PolarHBondContact N-O 3.1Å; E50-R88 PolarHBondContact O-N 3.26Å
51S87.3Confident87.1Confident20 Ų2055.2 Ų55.214%0.1430%0.297CS..EExtended strand (participates in β ladder)trans-66136.6176.1173.70000111.2F29 S53 V54F29-S51 PolarHBondContact O-N 3.19Å; S51-S53 PolarHBondContact O-N 3.39Å; S51-S53 PolarHBondContact OG-N 3.06Å; S51-S53 PolarHBondContact OG-OG 3.13Å; S51-V54 WeakPolarHBondContact O-CB 3.29Å; S51-V54 WeakPolarHBondContact O-CG2 3.41Å; S51-V54 PolarHBondContact O-N 3.3Å; S51-V54 VanDerWaalsContact O-N 3.09Å
52L85.8Confident87.4Confident80 Ų8048.6 Ų48.642%0.41926%0.261SS..THydrogen-bonded Turntrans-65.2-17.8175.6-64.5175.4000113.2V54 V83 K86 R88L52-V54 PolarHBondContact O-N 2.64Å; L52-V83 HydrophobicContact CD1-CG1 3.58Å; L52-V83 HydrophobicContact CD2-CG1 4.07Å; L52-V83 HydrophobicContact CD2-CG2 4.25Å; L52-V83 HydrophobicContact CG-CG1 4.31Å; L52-K86 WeakPolarHBondContact CB-O 3.49Å; L52-K86 WeakPolarHBondContact CG-O 3.28Å; L52-K86 PolarHBondContact N-O 3.04Å; L52-R88 HydrophobicContact CD2-CB 4.16Å
53S81.6Confident87.8Confident76 Ų7645.5 Ų45.553%0.53125%0.246SC..THydrogen-bonded Turntrans-72.2-12.7174.8650000113.2S51 K55S51-S53 PolarHBondContact O-N 3.39Å; S51-S53 PolarHBondContact OG-N 3.06Å; S51-S53 PolarHBondContact OG-OG 3.13Å; S53-K55 PolarHBondContact O-N 3.36Å
54V73.9Confident88Confident25 Ų2546.7 Ų46.715%0.15225%0.245CC..  trans-75.7117.3-179.2-179.50000109.4F29 E50 S51 L52 A56F29-V54 HydrophobicContact CB-CG1 4.1Å; F29-V54 HydrophobicContact CB-CG2 3.86Å; F29-V54 HydrophobicContact CD1-CG1 4.21Å; F29-V54 HydrophobicContact CD1-CG2 3.93Å; F29-V54 HydrophobicContact CG-CG1 4.2Å; F29-V54 HydrophobicContact CG-CG2 4.28Å; E50-V54 HydrophobicContact CG-CB 4.37Å; E50-V54 HydrophobicContact CG-CG2 4.46Å; S51-V54 WeakPolarHBondContact O-CB 3.29Å; S51-V54 WeakPolarHBondContact O-CG2 3.41Å; S51-V54 PolarHBondContact O-N 3.3Å; S51-V54 VanDerWaalsContact O-N 3.09Å; L52-V54 PolarHBondContact O-N 2.64Å; V54-A56 VanDerWaalsContact C-N 3.3Å; V54-A56 PolarHBondContact O-N 3.41Å
55K69.5Low88.1Confident199 Ų19942.5 Ų42.587%0.86523%0.226SC*.SBendtrans-62.4-36-179.4-70.3-175.8-180177.40113.1S53 A57S53-K55 PolarHBondContact O-N 3.36Å; K55-A57 PolarHBondContact O-N 2.95Å
56A69.6Low88.2Confident48 Ų4842.5 Ų42.540%0.39723%0.225SC..SBendtrans-90.683.3178.600000109.2V54 V58V54-A56 VanDerWaalsContact C-N 3.3Å; V54-A56 PolarHBondContact O-N 3.41Å; A56-V58 PolarHBondContact O-N 2.74Å
57A74.3Confident88.2Confident46 Ų4647.8 Ų47.838%0.3825%0.25SC..  trans-69.667.3-178.400000112.4E50 K55 L59 K60E50-A57 WeakPolarHBondContact OE1-CA 3.07Å; K55-A57 PolarHBondContact O-N 2.95Å; A57-L59 VanDerWaalsContact C-N 3.31Å; A57-L59 PolarHBondContact O-N 2.83Å; A57-K60 HydrophobicContact CB-CB 4.21Å; A57-K60 WeakPolarHBondContact O-CB 3.4Å; A57-K60 PolarHBondContact O-N 3.04Å
58V84.9Confident88.3Confident32 Ų3252.9 Ų52.919%0.19427%0.272CS..Hα-helixtrans-69.7-32.6-175.7-67.50000111E50 A56 K60 M61 E62E50-V58 WeakPolarHBondContact OE2-CG2 3.04Å; E50-V58 PolarHBondContact OE2-N 2.75Å; A56-V58 PolarHBondContact O-N 2.74Å; V58-K60 PolarHBondContact O-N 3.49Å; V58-M61 WeakPolarHBondContact O-CB 3.29Å; V58-M61 PolarHBondContact O-N 3.5Å; V58-M61 VanDerWaalsContact O-N 3.09Å; V58-E62 PolarHBondContact O-N 3.25Å
59L90.2Very high88.5Confident6 Ų652.9 Ų52.93%0.03127%0.272CS..Hα-helixtrans-65.8-28.4177.7-16961.8000112.1K48 E50 A57 E62 T63 R88 L90K48-L59 HydrophobicContact CB-CD1 3.84Å; K48-L59 HydrophobicContact CD-CD1 4.33Å; E50-L59 HydrophobicContact CB-CB 3.73Å; E50-L59 HydrophobicContact CB-CD2 3.68Å; E50-L59 HydrophobicContact CB-CG 4.36Å; E50-L59 HydrophobicContact CG-CB 4.34Å; E50-L59 WeakPolarHBondContact OE1-CB 3.4Å; E50-L59 PolarHBondContact OE1-N 2.88Å; E50-L59 PolarHBondContact OE2-N 2.89Å; A57-L59 VanDerWaalsContact C-N 3.31Å; A57-L59 PolarHBondContact O-N 2.83Å; L59-E62 HydrophobicContact CD1-CB 4.46Å; L59-E62 PolarHBondContact O-N 2.93Å; L59-T63 VanDerWaalsContact O-CB 3.27Å; L59-T63 WeakPolarHBondContact O-CB 3.49Å; L59-T63 PolarHBondContact O-N 2.91Å; L59-T63 PolarHBondContact O-OG1 2.95Å; L59-R88 HydrophobicContact CD2-CB 4.29Å; L59-R88 HydrophobicContact CD2-CG 4.11Å; L59-R88 WeakPolarHBondContact CD2-O 3.29Å; L59-R88 HydrophobicContact CG-CG 4.43Å; L59-L90 HydrophobicContact CD1-CB 3.95Å; L59-L90 HydrophobicContact CD1-CD2 4.16Å; L59-L90 HydrophobicContact CG-CB 4.43Å
60K91.4Very high88.8Confident127 Ų12756 Ų5655%0.55229%0.286SS*.Hα-helixtrans-64.9-44.2172.5-176.1-179176.5-178.60111.3A57 V58 Y64A57-K60 HydrophobicContact CB-CB 4.21Å; A57-K60 WeakPolarHBondContact O-CB 3.4Å; A57-K60 PolarHBondContact O-N 3.04Å; V58-K60 PolarHBondContact O-N 3.49Å; K60-Y64 WeakPolarHBondContact O-CB 3.41Å; K60-Y64 PolarHBondContact O-N 2.96Å; K60-Y64 VanDerWaalsContact O-N 3.12Å
61M90.9Very high89.1Confident72 Ų7259.4 Ų59.436%0.35532%0.324SS..Hα-helixtrans-64.6-45.6175.3-175.859.969.200110.4V58 T63 Y64 V65 F135V58-M61 WeakPolarHBondContact O-CB 3.29Å; V58-M61 PolarHBondContact O-N 3.5Å; V58-M61 VanDerWaalsContact O-N 3.09Å; M61-T63 VanDerWaalsContact C-N 3.34Å; M61-T63 PolarHBondContact O-N 3.31Å; M61-Y64 PolarHBondContact O-N 3.1Å; M61-Y64 VanDerWaalsContact O-N 3.11Å; M61-V65 HydrophobicContact CG-CG2 4.31Å; M61-V65 WeakPolarHBondContact O-CG2 3.44Å; M61-V65 PolarHBondContact O-N 2.83Å; M61-V65 HydrophobicContact SD-CG2 4.01Å; M61-F135 HydrophobicContact SD-CE1 3.86Å
62E94.4Very high89.6Confident10 Ų1061.1 Ų61.15%0.04733%0.329CS..Hα-helixtrans-58.7-46.6179.9-172.5174.8-17400112K48 V58 L59 Y64 V65 L66 L90 F162K48-E62 IonicContact NZ-OE1 2.62Å; K48-E62 PolarHBondContact NZ-OE1 3.13Å; K48-E62 IonicContact NZ-OE2 3.42Å; K48-E62 PolarHBondContact NZ-OE2 3.05Å; V58-E62 PolarHBondContact O-N 3.25Å; L59-E62 HydrophobicContact CD1-CB 4.46Å; L59-E62 PolarHBondContact O-N 2.93Å; E62-Y64 VanDerWaalsContact C-N 3.33Å; E62-Y64 PolarHBondContact O-N 3.3Å; E62-V65 PolarHBondContact O-N 3.38Å; E62-L66 VanDerWaalsContact O-CB 3.27Å; E62-L66 WeakPolarHBondContact O-CB 3.2Å; E62-L66 PolarHBondContact O-N 3.34Å; E62-L90 HydrophobicContact CG-CD2 4.27Å; E62-F162 HydrophobicContact CG-CB 4.24Å; E62-F162 HydrophobicContact CG-CD2 4.07Å
63T95.8Very high90.2Very high23 Ų2360 Ų6014%0.14133%0.327CS..Hα-helixtrans-57.3-45.9174.7-59.80000111.4L59 M61 H67 F78 A81 L90L59-T63 VanDerWaalsContact O-CB 3.27Å; L59-T63 WeakPolarHBondContact O-CB 3.49Å; L59-T63 PolarHBondContact O-N 2.91Å; L59-T63 PolarHBondContact O-OG1 2.95Å; M61-T63 VanDerWaalsContact C-N 3.34Å; M61-T63 PolarHBondContact O-N 3.31Å; T63-H67 VanDerWaalsContact O-CB 3.25Å; T63-H67 WeakPolarHBondContact O-CB 3.29Å; T63-H67 PolarHBondContact O-N 2.96Å; T63-F78 HydrophobicContact CG2-CE2 4.02Å; T63-A81 HydrophobicContact CG2-CB 3.55Å; T63-L90 HydrophobicContact CG2-CD1 4.44Å
64Y96.4Very high91Very high107 Ų10757 Ų5742%0.4230%0.304SS..Hα-helixtrans-65.4-46.4-177.9179.3-95.6000112.2K60 M61 E62 H67 K68 F135K60-Y64 WeakPolarHBondContact O-CB 3.41Å; K60-Y64 PolarHBondContact O-N 2.96Å; K60-Y64 VanDerWaalsContact O-N 3.12Å; M61-Y64 PolarHBondContact O-N 3.1Å; M61-Y64 VanDerWaalsContact O-N 3.11Å; E62-Y64 VanDerWaalsContact C-N 3.33Å; E62-Y64 PolarHBondContact O-N 3.3Å; Y64-H67 PolarHBondContact O-N 3.29Å; Y64-K68 HydrophobicContact CE1-CG 4.07Å; Y64-K68 WeakPolarHBondContact O-CG 3.49Å; Y64-K68 PolarHBondContact O-N 2.83Å; Y64-K68 VanDerWaalsContact O-N 3.08Å; Y64-K68 VanDerWaalsContact OH-CE 3.26Å; Y64-K68 WeakPolarHBondContact OH-CE 3.38Å; Y64-F135 HydrophobicContact CD1-CE2 4.38Å; Y64-F135 AromaticContact CD1-CZ 3.83Å; Y64-F135 HydrophobicContact CD1-CZ 3.83Å; Y64-F135 AromaticContact CE1-CE2 3.83Å; Y64-F135 HydrophobicContact CE1-CE2 3.83Å; Y64-F135 AromaticContact CE1-CZ 3.5Å; Y64-F135 HydrophobicContact CE1-CZ 3.5Å; Y64-F135 VanDerWaalsContact CE1-CZ 3.5Å
65V97.6Very high92.1Very high0 Ų056.2 Ų56.20%030%0.301CS..Hα-helixtrans-67.6-46.2-179.6176.50000110.7M61 E62 H67 K68 L69 I130 I133 F135 F162M61-V65 HydrophobicContact CG-CG2 4.31Å; M61-V65 WeakPolarHBondContact O-CG2 3.44Å; M61-V65 PolarHBondContact O-N 2.83Å; M61-V65 HydrophobicContact SD-CG2 4.01Å; E62-V65 PolarHBondContact O-N 3.38Å; V65-H67 VanDerWaalsContact C-N 3.28Å; V65-H67 PolarHBondContact O-N 3.46Å; V65-K68 WeakPolarHBondContact O-CB 3.32Å; V65-K68 PolarHBondContact O-N 3.32Å; V65-K68 VanDerWaalsContact O-N 3.07Å; V65-L69 HydrophobicContact CG1-CD1 4.03Å; V65-L69 HydrophobicContact CG1-CG 4.44Å; V65-L69 WeakPolarHBondContact O-CG 3.47Å; V65-L69 PolarHBondContact O-N 3.21Å; V65-I130 HydrophobicContact CG1-CD1 4.16Å; V65-I130 HydrophobicContact CG1-CG1 4.36Å; V65-I133 HydrophobicContact CG1-CD1 4.06Å; V65-F135 HydrophobicContact CG2-CD1 3.72Å; V65-F135 HydrophobicContact CG2-CE1 3.76Å; V65-F135 HydrophobicContact CG2-CG 4.12Å; V65-F135 HydrophobicContact CG2-CZ 4.22Å; V65-F162 HydrophobicContact CB-CB 3.74Å; V65-F162 HydrophobicContact CB-CD2 4.5Å; V65-F162 HydrophobicContact CB-CG 4.04Å; V65-F162 HydrophobicContact CG1-CB 3.75Å; V65-F162 HydrophobicContact CG1-CD1 3.75Å; V65-F162 HydrophobicContact CG1-CD2 4.3Å; V65-F162 HydrophobicContact CG1-CE1 4.46Å; V65-F162 HydrophobicContact CG1-CG 3.65Å; V65-F162 HydrophobicContact CG2-CB 4.31Å
66L98.1Very high93.5Very high1 Ų146.9 Ų46.91%0.00526%0.26CS..Hα-helixtrans-59.3-40.6176.9-179.160000111.7E62 K68 L69 Q70 L76 F78 L90 M92 F162E62-L66 VanDerWaalsContact O-CB 3.27Å; E62-L66 WeakPolarHBondContact O-CB 3.2Å; E62-L66 PolarHBondContact O-N 3.34Å; L66-K68 VanDerWaalsContact C-N 3.34Å; L66-K68 PolarHBondContact O-N 3.5Å; L66-L69 PolarHBondContact O-N 3.35Å; L66-Q70 PolarHBondContact O-N 3.18Å; L66-Q70 PolarHBondContact O-NE2 3.02Å; L66-L76 HydrophobicContact CD1-CB 4.42Å; L66-L76 VanDerWaalsContact CD1-O 3.28Å; L66-L76 WeakPolarHBondContact CD1-O 3.31Å; L66-F78 HydrophobicContact CD2-CD2 4.47Å; L66-L90 HydrophobicContact CD2-CD1 4.19Å; L66-L90 HydrophobicContact CD2-CD2 4.01Å; L66-M92 HydrophobicContact CD2-CB 3.99Å; L66-M92 HydrophobicContact CD2-SD 3.99Å; L66-F162 HydrophobicContact CB-CD2 4.16Å; L66-F162 HydrophobicContact CB-CE2 4.15Å; L66-F162 HydrophobicContact CD1-CE2 3.98Å
67H98Very high94.8Very high111 Ų11150 Ų5051%0.51427%0.265SS..Hα-helixtrans-63.6-38.6175.8-173.574.5000112.3T63 Y64 V65 L69 Q70T63-H67 VanDerWaalsContact O-CB 3.25Å; T63-H67 WeakPolarHBondContact O-CB 3.29Å; T63-H67 PolarHBondContact O-N 2.96Å; Y64-H67 PolarHBondContact O-N 3.29Å; V65-H67 VanDerWaalsContact C-N 3.28Å; V65-H67 PolarHBondContact O-N 3.46Å; H67-L69 VanDerWaalsContact C-N 3.3Å; H67-L69 PolarHBondContact O-N 3.48Å; H67-Q70 WeakPolarHBondContact O-CG 3.31Å; H67-Q70 PolarHBondContact O-N 3.36Å
68K97.9Very high95.9Very high108 Ų10850.2 Ų50.247%0.4726%0.257SS..Hα-helixtrans-69.1-26.7174.8-74.5-70.8-172.8178.70113.6Y64 V65 L66 Q70 I133Y64-K68 HydrophobicContact CE1-CG 4.07Å; Y64-K68 WeakPolarHBondContact O-CG 3.49Å; Y64-K68 PolarHBondContact O-N 2.83Å; Y64-K68 VanDerWaalsContact O-N 3.08Å; Y64-K68 VanDerWaalsContact OH-CE 3.26Å; Y64-K68 WeakPolarHBondContact OH-CE 3.38Å; V65-K68 WeakPolarHBondContact O-CB 3.32Å; V65-K68 PolarHBondContact O-N 3.32Å; V65-K68 VanDerWaalsContact O-N 3.07Å; L66-K68 VanDerWaalsContact C-N 3.34Å; L66-K68 PolarHBondContact O-N 3.5Å; K68-Q70 VanDerWaalsContact C-N 3.3Å; K68-I133 HydrophobicContact CB-CD1 3.69Å
69L98.5Very high96.5Very high5 Ų553.8 Ų53.83%0.02627%0.267CS..THydrogen-bonded Turntrans-82.1-1.5177-73.5173.1000113.9V65 L66 H67 G71 K72 A75 D129 I130 I133 F162V65-L69 HydrophobicContact CG1-CD1 4.03Å; V65-L69 HydrophobicContact CG1-CG 4.44Å; V65-L69 WeakPolarHBondContact O-CG 3.47Å; V65-L69 PolarHBondContact O-N 3.21Å; L66-L69 PolarHBondContact O-N 3.35Å; H67-L69 VanDerWaalsContact C-N 3.3Å; H67-L69 PolarHBondContact O-N 3.48Å; L69-G71 PolarHBondContact O-N 3.48Å; L69-K72 HydrophobicContact CD2-CG 4.1Å; L69-K72 WeakPolarHBondContact O-CB 3.42Å; L69-K72 VanDerWaalsContact O-CG 3.3Å; L69-K72 WeakPolarHBondContact O-CG 3.22Å; L69-K72 PolarHBondContact O-N 2.94Å; L69-A75 HydrophobicContact CB-CB 3.63Å; L69-A75 HydrophobicContact CD1-CB 4.38Å; L69-D129 HydrophobicContact CD2-CB 4.26Å; L69-I130 HydrophobicContact CD2-CB 4.47Å; L69-I133 HydrophobicContact CD1-CD1 4.5Å; L69-I133 HydrophobicContact CD2-CD1 3.61Å; L69-I133 HydrophobicContact CD2-CG1 4.03Å; L69-I133 HydrophobicContact CD2-CG2 4.35Å; L69-I133 HydrophobicContact CG-CD1 3.59Å; L69-F162 HydrophobicContact CD1-CD1 4.27Å; L69-F162 HydrophobicContact CD1-CE1 3.56Å; L69-F162 HydrophobicContact CD1-CE2 4.15Å; L69-F162 HydrophobicContact CD1-CZ 3.5Å; L69-F162 VanDerWaalsContact CD1-CZ 3.5Å
70Q98.3Very high96.8Very high70 Ų7055.3 Ų55.333%0.32728%0.276SS..THydrogen-bonded Turntrans-60.7135-179.1-65-54.4-69.200111.5L66 H67 K68 K72 L76 F78L66-Q70 PolarHBondContact O-N 3.18Å; L66-Q70 PolarHBondContact O-NE2 3.02Å; H67-Q70 WeakPolarHBondContact O-CG 3.31Å; H67-Q70 PolarHBondContact O-N 3.36Å; K68-Q70 VanDerWaalsContact C-N 3.3Å; Q70-K72 VanDerWaalsContact C-N 3.33Å; Q70-L76 PolarHBondContact NE2-O 2.97Å; Q70-F78 HydrophobicContact CG-CB 3.95Å
71G97Very high97Very high82 Ų8250.7 Ų50.785%0.84526%0.261SS*.THydrogen-bonded Turntrans90.1-11.8-171.700000114.2L69L69-G71 PolarHBondContact O-N 3.48Å
72K98.1Very high97.2Very high56 Ų5648.3 Ų48.324%0.24326%0.255CS..  trans-78.4141.1173.1-62.3-56.8-154.5155.40111.5L69 Q70 H74 A75 D129 E132L69-K72 HydrophobicContact CD2-CG 4.1Å; L69-K72 WeakPolarHBondContact O-CB 3.42Å; L69-K72 VanDerWaalsContact O-CG 3.3Å; L69-K72 WeakPolarHBondContact O-CG 3.22Å; L69-K72 PolarHBondContact O-N 2.94Å; Q70-K72 VanDerWaalsContact C-N 3.33Å; K72-H74 PolarHBondContact O-N 3.25Å; K72-A75 HydrophobicContact CB-CB 4.23Å; K72-A75 PolarHBondContact O-N 3.45Å; K72-D129 HydrophobicContact CB-CB 4.11Å; K72-D129 HydrophobicContact CD-CB 4.19Å; K72-D129 WeakPolarHBondContact CD-OD1 3.3Å; K72-D129 HydrophobicContact CG-CB 4.04Å; K72-D129 IonicContact NZ-OD1 3.62Å; K72-D129 PolarHBondContact NZ-OD1 3.25Å; K72-D129 VanDerWaalsContact NZ-OD1 3.11Å; K72-E132 IonicContact NZ-OE2 2.83Å; K72-E132 PolarHBondContact NZ-OE2 3.02Å
73P97.3Very high97.1Very high57 Ų5750.7 Ų50.737%0.3727%0.27SS..THydrogen-bonded Turntrans-63.4-39.4-173.422.3-32.8000113.4A75 D129 K156P73-A75 VanDerWaalsContact C-N 3.33Å; P73-A75 PolarHBondContact O-N 3.44Å; P73-D129 WeakPolarHBondContact CD-OD2 3.23Å; P73-K156 VanDerWaalsContact O-CD 3.31Å; P73-K156 WeakPolarHBondContact O-CD 3.39Å; P73-K156 WeakPolarHBondContact O-CE 3.45Å; P73-K156 PolarHBondContact O-NZ 3.1Å
74H98.4Very high96.8Very high11 Ų1151.3 Ų51.35%0.05127%0.271CS..THydrogen-bonded Turntrans-95.618.3-174.6-59.6-72.8000113.8K72 Q122 E125 A126 D129 V157 Y158 L159K72-H74 PolarHBondContact O-N 3.25Å; H74-Q122 PolarHBondContact CE1-OE1 2.94Å; H74-E125 IonicContact CE1-OE2 2.66Å; H74-E125 WeakPolarHBondContact NE2-CB 2.92Å; H74-E125 IonicContact NE2-OE2 3.24Å; H74-E125 PolarHBondContact NE2-OE2 3.05Å; H74-A126 HydrophobicContact CB-CB 3.46Å; H74-A126 VanDerWaalsContact CB-CB 3.46Å; H74-D129 IonicContact CD2-OD2 3.2Å; H74-V157 PolarHBondContact ND1-O 3.44Å; H74-Y158 WeakPolarHBondContact O-CA 3.31Å; H74-L159 PolarHBondContact O-N 3.46Å
75A98.3Very high96.4Very high10 Ų1052.4 Ų52.48%0.08328%0.284CS..BIsolated β-bridgetrans-107.7136.3175.200000110.9L69 K72 P73L69-A75 HydrophobicContact CB-CB 3.63Å; L69-A75 HydrophobicContact CD1-CB 4.38Å; K72-A75 HydrophobicContact CB-CB 4.23Å; K72-A75 PolarHBondContact O-N 3.45Å; P73-A75 VanDerWaalsContact C-N 3.33Å; P73-A75 PolarHBondContact O-N 3.44Å
76L97.9Very high95.9Very high3 Ų360.3 Ų60.32%0.01632%0.319CS..PPolyproline II helixtrans-63.4147.4172.5-69.5179.4000110.7L66 Q70 F78 M92 Q93 A95 Y158 L160L66-L76 HydrophobicContact CD1-CB 4.42Å; L66-L76 VanDerWaalsContact CD1-O 3.28Å; L66-L76 WeakPolarHBondContact CD1-O 3.31Å; Q70-L76 PolarHBondContact NE2-O 2.97Å; L76-F78 PolarHBondContact O-N 2.83Å; L76-M92 HydrophobicContact CD1-CG 4.42Å; L76-M92 HydrophobicContact CD1-SD 4.03Å; L76-Q93 HydrophobicContact CB-CB 4.13Å; L76-Q93 HydrophobicContact CD2-CB 3.99Å; L76-Q93 HydrophobicContact CD2-CG 3.95Å; L76-A95 HydrophobicContact CD1-CB 4.45Å; L76-A95 HydrophobicContact CD2-CB 4.15Å; L76-Y158 HydrophobicContact CD2-CD1 3.78Å; L76-Y158 HydrophobicContact CD2-CD2 3.89Å; L76-Y158 HydrophobicContact CD2-CE1 4.24Å; L76-Y158 HydrophobicContact CD2-CE2 4.35Å; L76-Y158 HydrophobicContact CD2-CG 3.57Å; L76-Y158 HydrophobicContact CG-CD1 4.33Å; L76-Y158 HydrophobicContact CG-CG 4.26Å; L76-L160 HydrophobicContact CD1-CD2 3.32Å; L76-L160 HydrophobicContact CG-CD2 3.85Å
77K97.7Very high95.5Very high113 Ų11360.9 Ų60.949%0.49132%0.321SS..PPolyproline II helixtrans-64.2132.9173-61.8174.8-174.3174.20110.2W79 M92 Q93K77-W79 HydrophobicContact CB-CD2 4.42Å; K77-W79 HydrophobicContact CB-CH2 3.93Å; K77-W79 HydrophobicContact CB-CZ2 3.64Å; K77-W79 HydrophobicContact CB-CZ3 4.41Å; K77-W79 HydrophobicContact CD-CH2 3.5Å; K77-W79 VanDerWaalsContact CD-CH2 3.5Å; K77-W79 HydrophobicContact CD-CZ2 3.6Å; K77-W79 HydrophobicContact CD-CZ3 4.46Å; K77-W79 HydrophobicContact CG-CH2 4.33Å; K77-W79 HydrophobicContact CG-CZ2 4.26Å; K77-M92 CarbonylContact O-C 3.52Å; K77-M92 WeakPolarHBondContact O-CA 3.3Å; K77-M92 WeakPolarHBondContact O-CB 3.39Å; K77-Q93 HydrophobicContact CB-CB 4.1Å; K77-Q93 PolarHBondContact O-N 3.21Å
78F97.7Very high95.3Very high50 Ų5058.4 Ų58.422%0.21931%0.307CS..EExtended strand (participates in β ladder)trans-85.2128.6171175.4-84.5000109.4T63 L66 Q70 L76 A81 L90T63-F78 HydrophobicContact CG2-CE2 4.02Å; L66-F78 HydrophobicContact CD2-CD2 4.47Å; Q70-F78 HydrophobicContact CG-CB 3.95Å; L76-F78 PolarHBondContact O-N 2.83Å; F78-A81 HydrophobicContact CE2-CB 3.68Å; F78-A81 HydrophobicContact CZ-CB 3.6Å; F78-L90 HydrophobicContact CD2-CD1 3.65Å; F78-L90 HydrophobicContact CE2-CD1 3.53Å
79W96.5Very high95.1Very high107 Ų10753.3 Ų53.341%0.40529%0.285SS..EExtended strand (participates in β ladder)trans-111-42.2-179.3-60131.2000113.9W18 K77 V91W18-W79 HydrophobicContact CH2-CB 3.78Å; W18-W79 HydrophobicContact CH2-CG 4.27Å; W18-W79 HydrophobicContact CZ2-CB 3.89Å; K77-W79 HydrophobicContact CB-CD2 4.42Å; K77-W79 HydrophobicContact CB-CH2 3.93Å; K77-W79 HydrophobicContact CB-CZ2 3.64Å; K77-W79 HydrophobicContact CB-CZ3 4.41Å; K77-W79 HydrophobicContact CD-CH2 3.5Å; K77-W79 VanDerWaalsContact CD-CH2 3.5Å; K77-W79 HydrophobicContact CD-CZ2 3.6Å; K77-W79 HydrophobicContact CD-CZ3 4.46Å; K77-W79 HydrophobicContact CG-CH2 4.33Å; K77-W79 HydrophobicContact CG-CZ2 4.26Å; W79-V91 HydrophobicContact CB-CB 4.24Å; W79-V91 HydrophobicContact CB-CG1 4.04Å; W79-V91 WeakPolarHBondContact CB-O 3.48Å; W79-V91 PolarHBondContact N-O 3.42Å
80D96.8Very high95Very high39 Ų3953.1 Ų53.121%0.20928%0.284CS..EExtended strand (participates in β ladder)trans-163.8156.5-177.3-155.7-13.5000110.1W18 F89 V91W18-D80 HydrophobicContact CZ2-CB 4.01Å; W18-D80 PolarHBondContact NE1-OD2 3.02Å; D80-F89 HydrophobicContact CB-CE2 4.28Å; D80-V91 HydrophobicContact CB-CB 3.97Å; D80-V91 HydrophobicContact CB-CG2 4.08Å; D80-V91 PolarHBondContact N-O 2.98Å; D80-V91 VanDerWaalsContact N-O 3.17Å; D80-V91 PolarHBondContact O-N 3.07Å
81A96.7Very high95Very high30 Ų3049.8 Ų49.825%0.24827%0.268CS..EExtended strand (participates in β ladder)trans-158.5155.5168.100000110.4T63 F78 F89 L90T63-A81 HydrophobicContact CG2-CB 3.55Å; F78-A81 HydrophobicContact CE2-CB 3.68Å; F78-A81 HydrophobicContact CZ-CB 3.6Å; A81-F89 VanDerWaalsContact CA-O 3.3Å; A81-F89 WeakPolarHBondContact CA-O 3.31Å; A81-F89 WeakPolarHBondContact CB-O 3.44Å; A81-L90 HydrophobicContact CB-CD1 4.2Å
82G94.5Very high95Very high21 Ų2146 Ų4622%0.21623%0.229CC..EExtended strand (participates in β ladder)trans174.4-161.8176.900000113.6R88 F89G82-R88 WeakPolarHBondContact O-CA 3.24Å; G82-R88 WeakPolarHBondContact O-CG 3.28Å; G82-F89 PolarHBondContact N-O 3.25Å; G82-F89 WeakPolarHBondContact O-CD1 3.28Å; G82-F89 PolarHBondContact O-N 3.49Å
83V92.8Very high94.9Very high61 Ų6144.5 Ų44.537%0.3722%0.223SC..EExtended strand (participates in β ladder)trans-121.1135.9172.4179.30000107.4K15 L52 F87K15-V83 PolarHBondContact NZ-O 3.4Å; L52-V83 HydrophobicContact CD1-CG1 3.58Å; L52-V83 HydrophobicContact CD2-CG1 4.07Å; L52-V83 HydrophobicContact CD2-CG2 4.25Å; L52-V83 HydrophobicContact CG-CG1 4.31Å; V83-F87 WeakPolarHBondContact CA-O 3.42Å
84Q89.2Confident94.8Very high35 Ų3542.5 Ų42.516%0.16421%0.209CC..EExtended strand (participates in β ladder)trans-139.8130.1172-174.6173-45.900108.1K86 F87 F89Q84-K86 PolarHBondContact O-N 3.08Å; Q84-K86 VanDerWaalsContact O-N 3.08Å; Q84-F87 HydrophobicContact CB-CE2 4.26Å; Q84-F87 HydrophobicContact CB-CZ 4.03Å; Q84-F87 HydrophobicContact CG-CZ 4.36Å; Q84-F87 PolarHBondContact N-O 3.04Å; Q84-F87 VanDerWaalsContact O-CD1 3.24Å; Q84-F87 WeakPolarHBondContact O-CD1 3.5Å; Q84-F87 WeakPolarHBondContact O-CE1 3.38Å; Q84-F87 PolarHBondContact O-N 3.26Å; Q84-F89 HydrophobicContact CB-CD1 4.36Å; Q84-F89 HydrophobicContact CB-CE1 4.32Å
85D86.8Confident94.6Very high130 Ų13042.2 Ų42.270%0.69521%0.208SC*.THydrogen-bonded Turntrans51-113.3-176.9-50.2-44.4000112.1F87D85-F87 HydrophobicContact CB-CE1 4.45Å
86K87.2Confident94.4Very high167 Ų16742.4 Ų42.473%0.72621%0.211SC*.THydrogen-bonded Turntrans-104.712.4-177.6-62.7-178.1-177.9174.60113.6L52 Q84L52-K86 WeakPolarHBondContact CB-O 3.49Å; L52-K86 WeakPolarHBondContact CG-O 3.28Å; L52-K86 PolarHBondContact N-O 3.04Å; Q84-K86 PolarHBondContact O-N 3.08Å; Q84-K86 VanDerWaalsContact O-N 3.08Å
87F90.1Very high94.2Very high12 Ų1242.8 Ų42.85%0.05321%0.214CC..EExtended strand (participates in β ladder)trans-134.7150.5-177.964.9-89.1000113.4C6 L8 L14 V49 E50 V83 Q84 D85 F89C6-F87 WeakPolarHBondContact SG-CB 3.28Å; L8-F87 HydrophobicContact CD1-CE2 4.48Å; L8-F87 HydrophobicContact CD1-CZ 4.48Å; L8-F87 HydrophobicContact CD2-CD1 4.35Å; L8-F87 HydrophobicContact CD2-CE1 3.87Å; L8-F87 HydrophobicContact CD2-CZ 3.95Å; L14-F87 HydrophobicContact CD2-CE2 3.64Å; L14-F87 HydrophobicContact CD2-CZ 3.87Å; L14-F87 HydrophobicContact CG-CZ 4.39Å; V49-F87 HydrophobicContact CB-CD2 4.1Å; V49-F87 HydrophobicContact CG1-CD2 3.8Å; V49-F87 HydrophobicContact CG1-CE2 3.99Å; E50-F87 CarbonylContact O-C 3.54Å; E50-F87 VanDerWaalsContact O-CA 3.28Å; E50-F87 WeakPolarHBondContact O-CA 3.28Å; E50-F87 WeakPolarHBondContact O-CB 3.45Å; V83-F87 WeakPolarHBondContact CA-O 3.42Å; Q84-F87 HydrophobicContact CB-CE2 4.26Å; Q84-F87 HydrophobicContact CB-CZ 4.03Å; Q84-F87 HydrophobicContact CG-CZ 4.36Å; Q84-F87 PolarHBondContact N-O 3.04Å; Q84-F87 VanDerWaalsContact O-CD1 3.24Å; Q84-F87 WeakPolarHBondContact O-CD1 3.5Å; Q84-F87 WeakPolarHBondContact O-CE1 3.38Å; Q84-F87 PolarHBondContact O-N 3.26Å; D85-F87 HydrophobicContact CB-CE1 4.45Å; F87-F89 HydrophobicContact CD2-CB 4.23Å; F87-F89 HydrophobicContact CE2-CB 4.16Å; F87-F89 HydrophobicContact CE2-CD1 4.38Å
88R93Very high94.1Very high60 Ų6037.4 Ų37.423%0.22619%0.191CC..EExtended strand (participates in β ladder)trans-89.6144.3165.1-176.4174.9-63-80-8.7108.2V49 E50 L52 L59 G82V49-R88 CarbonylContact C-O 3.23Å; V49-R88 VanDerWaalsContact CA-O 3.29Å; V49-R88 WeakPolarHBondContact CA-O 3.39Å; E50-R88 PolarHBondContact N-O 3.1Å; E50-R88 PolarHBondContact O-N 3.26Å; L52-R88 HydrophobicContact CD2-CB 4.16Å; L59-R88 HydrophobicContact CD2-CB 4.29Å; L59-R88 HydrophobicContact CD2-CG 4.11Å; L59-R88 WeakPolarHBondContact CD2-O 3.29Å; L59-R88 HydrophobicContact CG-CG 4.43Å; G82-R88 WeakPolarHBondContact O-CA 3.24Å; G82-R88 WeakPolarHBondContact O-CG 3.28Å
89F95Very high94Very high1 Ų135 Ų350%0.00418%0.18CC..EExtended strand (participates in β ladder)trans-132.6154.1176.373.7-91.4000112.5L14 K15 L47 K48 V49 D80 A81 G82 Q84 F87 V91L14-F89 HydrophobicContact CD2-CG 4.44Å; K15-F89 HydrophobicContact CG-CE1 4.2Å; K15-F89 HydrophobicContact CG-CZ 3.8Å; L47-F89 HydrophobicContact CD1-CB 3.74Å; L47-F89 HydrophobicContact CD1-CD2 4.16Å; L47-F89 HydrophobicContact CD1-CG 4.32Å; K48-F89 CarbonylContact O-C 3.59Å; K48-F89 VanDerWaalsContact O-CA 3.24Å; K48-F89 WeakPolarHBondContact O-CA 3.21Å; V49-F89 HydrophobicContact CG1-CB 3.97Å; D80-F89 HydrophobicContact CB-CE2 4.28Å; A81-F89 VanDerWaalsContact CA-O 3.3Å; A81-F89 WeakPolarHBondContact CA-O 3.31Å; A81-F89 WeakPolarHBondContact CB-O 3.44Å; G82-F89 PolarHBondContact N-O 3.25Å; G82-F89 WeakPolarHBondContact O-CD1 3.28Å; G82-F89 PolarHBondContact O-N 3.49Å; Q84-F89 HydrophobicContact CB-CD1 4.36Å; Q84-F89 HydrophobicContact CB-CE1 4.32Å; F87-F89 HydrophobicContact CD2-CB 4.23Å; F87-F89 HydrophobicContact CE2-CB 4.16Å; F87-F89 HydrophobicContact CE2-CD1 4.38Å; F89-V91 HydrophobicContact CD2-CG2 3.97Å; F89-V91 HydrophobicContact CE2-CG2 4.22Å
90L96.1Very high93.9Very high0 Ų030.7 Ų30.70%017%0.167CC..EExtended strand (participates in β ladder)trans-134.9126.1171.5168.962.7000107.9L47 K48 L59 E62 T63 L66 F78 A81 M92L47-L90 CarbonylContact C-O 3.51Å; L47-L90 WeakPolarHBondContact CA-O 3.45Å; K48-L90 HydrophobicContact CB-CB 4.36Å; K48-L90 PolarHBondContact N-O 3.24Å; K48-L90 PolarHBondContact O-N 3.35Å; L59-L90 HydrophobicContact CD1-CB 3.95Å; L59-L90 HydrophobicContact CD1-CD2 4.16Å; L59-L90 HydrophobicContact CG-CB 4.43Å; E62-L90 HydrophobicContact CG-CD2 4.27Å; T63-L90 HydrophobicContact CG2-CD1 4.44Å; L66-L90 HydrophobicContact CD2-CD1 4.19Å; L66-L90 HydrophobicContact CD2-CD2 4.01Å; F78-L90 HydrophobicContact CD2-CD1 3.65Å; F78-L90 HydrophobicContact CE2-CD1 3.53Å; A81-L90 HydrophobicContact CB-CD1 4.2Å; L90-M92 HydrophobicContact CD2-SD 4.19Å
91V97.4Very high93.7Very high0 Ų029 Ų290%016%0.158CC..EExtended strand (participates in β ladder)trans-108.3126.8171.4-169.60000108.8W18 V35 A45 A46 L47 W79 D80 F89W18-V91 HydrophobicContact CD2-CB 4.44Å; W18-V91 HydrophobicContact CD2-CG1 3.87Å; W18-V91 HydrophobicContact CD2-CG2 4.07Å; W18-V91 HydrophobicContact CE3-CG1 3.79Å; W18-V91 HydrophobicContact CG-CG2 4.05Å; W18-V91 HydrophobicContact CH2-CG1 3.77Å; W18-V91 HydrophobicContact CZ2-CB 4.26Å; W18-V91 HydrophobicContact CZ2-CG1 3.84Å; W18-V91 HydrophobicContact CZ3-CG1 3.72Å; V35-V91 HydrophobicContact CG2-CG1 4.1Å; A45-V91 HydrophobicContact CB-CG1 3.67Å; A46-V91 CarbonylContact O-C 3.56Å; A46-V91 WeakPolarHBondContact O-CA 3.49Å; L47-V91 HydrophobicContact CD1-CG2 3.85Å; W79-V91 HydrophobicContact CB-CB 4.24Å; W79-V91 HydrophobicContact CB-CG1 4.04Å; W79-V91 WeakPolarHBondContact CB-O 3.48Å; W79-V91 PolarHBondContact N-O 3.42Å; D80-V91 HydrophobicContact CB-CB 3.97Å; D80-V91 HydrophobicContact CB-CG2 4.08Å; D80-V91 PolarHBondContact N-O 2.98Å; D80-V91 VanDerWaalsContact N-O 3.17Å; D80-V91 PolarHBondContact O-N 3.07Å; F89-V91 HydrophobicContact CD2-CG2 3.97Å; F89-V91 HydrophobicContact CE2-CG2 4.22Å
92M97.4Very high93.6Very high4 Ų428.5 Ų28.52%0.0215%0.151CC..EExtended strand (participates in β ladder)trans-143.5169.9-176.363.3-173.8172.600111.4A45 A46 K48 L66 L76 K77 L90 L94 Y320A45-M92 WeakPolarHBondContact CB-O 3.28Å; A46-M92 HydrophobicContact CB-CE 4.19Å; A46-M92 HydrophobicContact CB-CG 4.09Å; A46-M92 PolarHBondContact N-O 3.43Å; A46-M92 PolarHBondContact O-N 2.93Å; K48-M92 HydrophobicContact CD-CE 3.59Å; K48-M92 HydrophobicContact CG-CE 3.85Å; L66-M92 HydrophobicContact CD2-CB 3.99Å; L66-M92 HydrophobicContact CD2-SD 3.99Å; L76-M92 HydrophobicContact CD1-CG 4.42Å; L76-M92 HydrophobicContact CD1-SD 4.03Å; K77-M92 CarbonylContact O-C 3.52Å; K77-M92 WeakPolarHBondContact O-CA 3.3Å; K77-M92 WeakPolarHBondContact O-CB 3.39Å; L90-M92 HydrophobicContact CD2-SD 4.19Å; M92-L94 PolarHBondContact O-N 2.95Å; M92-Y320 HydrophobicContact CE-CE1 3.79Å
93Q96.2Very high93.6Very high23 Ų2328 Ų2811%0.10714%0.143CC..EExtended strand (participates in β ladder)trans-51.1135.5173.7175.3178.4-9.400111L76 K77 A95 D153 Y158L76-Q93 HydrophobicContact CB-CB 4.13Å; L76-Q93 HydrophobicContact CD2-CB 3.99Å; L76-Q93 HydrophobicContact CD2-CG 3.95Å; K77-Q93 HydrophobicContact CB-CB 4.1Å; K77-Q93 PolarHBondContact O-N 3.21Å; Q93-A95 PolarHBondContact O-N 3.38Å; Q93-D153 PolarHBondContact NE2-OD2 3.2Å; Q93-Y158 PolarHBondContact NE2-OH 3.12Å
94L95.2Very high93.6Very high16 Ų1630.7 Ų30.78%0.08415%0.147CC..PPolyproline II helixtrans-77.9117.6172.8-174.164.1000108.8L24 V34 E44 A46 M92 K149 Y320L24-L94 HydrophobicContact CD1-CD1 3.87Å; V34-L94 HydrophobicContact CG1-CD2 4.34Å; V34-L94 HydrophobicContact CG2-CD1 4.45Å; V34-L94 HydrophobicContact CG2-CD2 4.36Å; E44-L94 HydrophobicContact CB-CD2 3.97Å; A46-L94 HydrophobicContact CB-CD1 3.91Å; M92-L94 PolarHBondContact O-N 2.95Å; L94-K149 HydrophobicContact CB-CD 4.28Å; L94-K149 HydrophobicContact CD2-CD 3.72Å; L94-K149 HydrophobicContact CG-CD 3.82Å; L94-Y320 HydrophobicContact CD1-CE2 3.98Å
95A95.3Very high93.7Very high4 Ų432.3 Ų32.33%0.03316%0.156CC..PPolyproline II helixtrans-84160.817600000111.8L76 Q93 A146 Y320L76-A95 HydrophobicContact CD1-CB 4.45Å; L76-A95 HydrophobicContact CD2-CB 4.15Å; Q93-A95 PolarHBondContact O-N 3.38Å; A95-A146 HydrophobicContact CB-CB 3.8Å; A95-Y320 PolarHBondContact N-OH 3.13Å
96G93.8Very high93.9Very high14 Ų1426.6 Ų26.614%0.14413%0.127CC..  trans-78-166.4165.800000111.1V147 P319G96-V147 WeakPolarHBondContact CA-O 3.4Å; G96-V147 PolarHBondContact N-O 2.99Å; G96-P319 WeakPolarHBondContact O-CB 3.12Å; G96-P319 WeakPolarHBondContact O-CG 3.35Å
97S92.8Very high94.1Very high11 Ų1120.8 Ų20.88%0.07711%0.107CC..  trans-58.2148.8-174.6-56.90000113.7A146 V147 P317S97-A146 WeakPolarHBondContact O-CA 3.25Å; S97-V147 WeakPolarHBondContact O-CG2 3.46Å; S97-V147 PolarHBondContact O-N 3.34Å; S97-P317 WeakPolarHBondContact CB-O 3.34Å; S97-P317 PolarHBondContact OG-O 2.85Å
98N94.9Very high94.2Very high0 Ų026.7 Ų26.70%014%0.139CC..BIsolated β-bridgetrans-82.3160.3175.872.655000111.4A100 D101 L102 F145 A146 P319 S322N98-A100 PolarHBondContact O-N 2.91Å; N98-A100 WeakPolarHBondContact OD1-CA 3.35Å; N98-A100 VanDerWaalsContact OD1-CB 3.27Å; N98-A100 WeakPolarHBondContact OD1-CB 3.38Å; N98-A100 PolarHBondContact OD1-N 2.94Å; N98-D101 PolarHBondContact ND2-OD2 3.5Å; N98-D101 PolarHBondContact O-N 2.76Å; N98-D101 PolarHBondContact OD1-N 3.46Å; N98-D101 PolarHBondContact OD1-OD2 3.47Å; N98-L102 WeakPolarHBondContact O-CG 3.49Å; N98-L102 PolarHBondContact O-N 2.82Å; N98-L102 VanDerWaalsContact O-N 3.09Å; N98-F145 CarbonylContact C-O 3.55Å; N98-F145 WeakPolarHBondContact CA-O 3.25Å; N98-F145 WeakPolarHBondContact CB-O 3.42Å; N98-A146 HydrophobicContact CB-CB 4.33Å; N98-P319 HydrophobicContact CB-CB 3.99Å; N98-P319 WeakPolarHBondContact ND2-CA 3.27Å; N98-P319 PolarHBondContact ND2-O 3.43Å; N98-S322 PolarHBondContact ND2-OG 3.24Å
99L96.1Very high94.3Very high0 Ų028.2 Ų28.20%015%0.149CC..Hα-helixtrans-68.4-20.7-176.8-59.9-175.9000113.4L102 K103 I119 P142 F145 V147 V157 F218 W296L99-L102 HydrophobicContact CD2-CD1 4.05Å; L99-K103 WeakPolarHBondContact O-CB 3.39Å; L99-K103 PolarHBondContact O-N 3.39Å; L99-I119 HydrophobicContact CD1-CD1 4.18Å; L99-I119 HydrophobicContact CD1-CG1 4.45Å; L99-I119 HydrophobicContact CD1-CG2 3.55Å; L99-I119 HydrophobicContact CD2-CD1 4.04Å; L99-P142 HydrophobicContact CB-CB 4.04Å; L99-P142 WeakPolarHBondContact CB-O 3.43Å; L99-P142 PolarHBondContact N-O 2.77Å; L99-F145 HydrophobicContact CB-CB 4.5Å; L99-F145 HydrophobicContact CD1-CB 3.49Å; L99-F145 VanDerWaalsContact CD1-CB 3.49Å; L99-F145 HydrophobicContact CD1-CG 4.19Å; L99-F145 HydrophobicContact CG-CB 3.75Å; L99-F145 PolarHBondContact N-O 2.75Å; L99-V147 HydrophobicContact CD2-CG1 4.34Å; L99-V157 HydrophobicContact CD1-CG1 4.22Å; L99-F218 HydrophobicContact CB-CZ 3.92Å; L99-F218 HydrophobicContact CD1-CE2 4.15Å; L99-F218 HydrophobicContact CD1-CZ 4Å; L99-W296 HydrophobicContact CD2-CH2 4.18Å
100A94.5Very high94.3Very high16 Ų1632.3 Ų32.313%0.13217%0.166CC..Hα-helixtrans-70.1-42.7174.900000111.4N98 R104 P142 Q326N98-A100 PolarHBondContact O-N 2.91Å; N98-A100 WeakPolarHBondContact OD1-CA 3.35Å; N98-A100 VanDerWaalsContact OD1-CB 3.27Å; N98-A100 WeakPolarHBondContact OD1-CB 3.38Å; N98-A100 PolarHBondContact OD1-N 2.94Å; A100-R104 WeakPolarHBondContact O-CB 3.42Å; A100-R104 PolarHBondContact O-N 2.94Å; A100-P142 HydrophobicContact CB-CB 3.92Å; A100-P142 PolarHBondContact N-O 2.65Å; A100-Q326 VanDerWaalsContact CB-NE2 3.32Å
101D93.1Very high94.3Very high5 Ų532.4 Ų32.43%0.02717%0.167CC..Hα-helixtrans-68-48177.3-66.6-32.1000110.6N98 K103 R104 D105 P317 S322N98-D101 PolarHBondContact ND2-OD2 3.5Å; N98-D101 PolarHBondContact O-N 2.76Å; N98-D101 PolarHBondContact OD1-N 3.46Å; N98-D101 PolarHBondContact OD1-OD2 3.47Å; D101-K103 VanDerWaalsContact C-N 3.3Å; D101-K103 PolarHBondContact O-N 2.88Å; D101-R104 WeakPolarHBondContact O-CB 3.45Å; D101-R104 PolarHBondContact O-N 3.24Å; D101-R104 IonicContact OD1-CZ 3.21Å; D101-R104 VanDerWaalsContact OD1-CZ 3.24Å; D101-R104 IonicContact OD1-NH1 2.88Å; D101-R104 PolarHBondContact OD1-NH1 3.13Å; D101-R104 IonicContact OD1-NH2 3.84Å; D101-R104 PolarHBondContact OD1-NH2 2.97Å; D101-R104 VanDerWaalsContact OD1-NH2 3.1Å; D101-D105 WeakPolarHBondContact O-CB 3.33Å; D101-D105 PolarHBondContact O-N 2.78Å; D101-P317 HydrophobicContact CB-CB 4.28Å; D101-S322 WeakPolarHBondContact OD1-CB 3.32Å; D101-S322 PolarHBondContact OD1-OG 3.31Å; D101-S322 PolarHBondContact OD2-OG 3.36Å
102L94.4Very high94.2Very high19 Ų1933.7 Ų33.710%0.09918%0.176CC..Hα-helixtrans-57-43.6177.5-68.3168.1000111.9N98 L99 D105 A106 V147 W296N98-L102 WeakPolarHBondContact O-CG 3.49Å; N98-L102 PolarHBondContact O-N 2.82Å; N98-L102 VanDerWaalsContact O-N 3.09Å; L99-L102 HydrophobicContact CD2-CD1 4.05Å; L102-D105 PolarHBondContact O-N 3.02Å; L102-A106 WeakPolarHBondContact O-CB 3.4Å; L102-A106 PolarHBondContact O-N 2.85Å; L102-A106 VanDerWaalsContact O-N 3.12Å; L102-V147 HydrophobicContact CD1-CG1 3.93Å; L102-V147 HydrophobicContact CD1-CG2 4.23Å; L102-W296 HydrophobicContact CB-CD2 4.38Å; L102-W296 HydrophobicContact CB-CE3 3.93Å; L102-W296 HydrophobicContact CB-CZ3 4.03Å; L102-W296 HydrophobicContact CD1-CD2 3.98Å; L102-W296 HydrophobicContact CD1-CE3 4.22Å; L102-W296 HydrophobicContact CD1-CH2 3.99Å; L102-W296 HydrophobicContact CD1-CZ2 3.77Å; L102-W296 HydrophobicContact CD1-CZ3 4.22Å; L102-W296 HydrophobicContact CD2-CB 4.05Å; L102-W296 HydrophobicContact CD2-CD2 3.75Å; L102-W296 HydrophobicContact CD2-CE3 4.12Å; L102-W296 HydrophobicContact CD2-CG 3.7Å; L102-W296 HydrophobicContact CG-CD2 4.25Å; L102-W296 HydrophobicContact CG-CE3 4.31Å
103K94.3Very high94.1Very high11 Ų1134.1 Ų34.15%0.04818%0.179CC..Hα-helixtrans-68.4-35.8175.8-175.1-122-179.7-165.10112.8L99 D101 D105 Q109 L111 E217 F218 G221L99-K103 WeakPolarHBondContact O-CB 3.39Å; L99-K103 PolarHBondContact O-N 3.39Å; D101-K103 VanDerWaalsContact C-N 3.3Å; D101-K103 PolarHBondContact O-N 2.88Å; K103-D105 VanDerWaalsContact C-N 3.3Å; K103-Q109 WeakPolarHBondContact CE-O 3.38Å; K103-Q109 CarbonylContact O-C 3.43Å; K103-Q109 WeakPolarHBondContact O-CA 3.19Å; K103-L111 HydrophobicContact CB-CD1 4.36Å; K103-L111 HydrophobicContact CB-CD2 4.33Å; K103-L111 HydrophobicContact CB-CG 4.29Å; K103-L111 HydrophobicContact CG-CG 4.21Å; K103-E217 WeakPolarHBondContact CE-OE2 3.3Å; K103-E217 VanDerWaalsContact NZ-CD 3.28Å; K103-E217 IonicContact NZ-OE1 2.71Å; K103-E217 IonicContact NZ-OE2 2.74Å; K103-E217 PolarHBondContact NZ-OE2 3.08Å; K103-F218 HydrophobicContact CB-CD1 4.31Å; K103-F218 HydrophobicContact CB-CE1 4.25Å; K103-F218 HydrophobicContact CD-CD1 4.2Å; K103-F218 HydrophobicContact CD-CE1 4.48Å; K103-F218 HydrophobicContact CG-CD1 3.88Å; K103-F218 HydrophobicContact CG-CE1 4.26Å; K103-G221 WeakPolarHBondContact CE-O 3.29Å; K103-G221 PolarHBondContact NZ-O 3.33Å
104R92.8Very high94.1Very high116 Ų11633.8 Ų33.844%0.43818%0.179SC..Hα-helixtrans-65.2-38.4176.2178-168.662.2-126.6-10.2111.3A100 D101 A106A100-R104 WeakPolarHBondContact O-CB 3.42Å; A100-R104 PolarHBondContact O-N 2.94Å; D101-R104 WeakPolarHBondContact O-CB 3.45Å; D101-R104 PolarHBondContact O-N 3.24Å; D101-R104 IonicContact OD1-CZ 3.21Å; D101-R104 VanDerWaalsContact OD1-CZ 3.24Å; D101-R104 IonicContact OD1-NH1 2.88Å; D101-R104 PolarHBondContact OD1-NH1 3.13Å; D101-R104 IonicContact OD1-NH2 3.84Å; D101-R104 PolarHBondContact OD1-NH2 2.97Å; D101-R104 VanDerWaalsContact OD1-NH2 3.1Å; R104-A106 VanDerWaalsContact C-N 3.34Å
105D91.7Very high94.2Very high69 Ų6933.1 Ų33.137%0.36918%0.176SC..Hα-helixtrans-85.9-10.8-173.7-57.5-15.1000111.9D101 L102 K103D101-D105 WeakPolarHBondContact O-CB 3.33Å; D101-D105 PolarHBondContact O-N 2.78Å; L102-D105 PolarHBondContact O-N 3.02Å; K103-D105 VanDerWaalsContact C-N 3.3Å
106A91.9Very high94.3Very high10 Ų1033 Ų338%0.08318%0.175CC..SBendtrans-72.8152.7174.500000113.1L102 R104 D108 Q109 K110 L111L102-A106 WeakPolarHBondContact O-CB 3.4Å; L102-A106 PolarHBondContact O-N 2.85Å; L102-A106 VanDerWaalsContact O-N 3.12Å; R104-A106 VanDerWaalsContact C-N 3.34Å; A106-D108 PolarHBondContact O-N 2.94Å; A106-Q109 WeakPolarHBondContact O-CA 3.44Å; A106-Q109 PolarHBondContact O-N 3.21Å; A106-K110 VanDerWaalsContact CB-O 3.28Å; A106-K110 WeakPolarHBondContact CB-O 3.3Å; A106-L111 HydrophobicContact CB-CD2 3.87Å
107P91.2Very high94.5Very high45 Ų4532.3 Ų32.329%0.29217%0.168SC..G310 helixtrans-53.3135.4175.4-26.135.8000112.8Q109 K110 D302 Y305P107-Q109 PolarHBondContact O-N 2.97Å; P107-K110 PolarHBondContact O-N 2.97Å; P107-D302 HydrophobicContact CG-CB 4.24Å; P107-Y305 HydrophobicContact CG-CD2 3.79Å; P107-Y305 HydrophobicContact CG-CE2 4.27Å; P107-Y305 HydrophobicContact CG-CG 4.05Å
108D91.7Very high94.8Very high136 Ų13632.5 Ų32.573%0.72717%0.167SC*.G310 helixtrans52.516.3-174.7-61.8-30.8000115.2A106 K110A106-D108 PolarHBondContact O-N 2.94Å; D108-K110 HydrophobicContact CB-CD 4.03Å; D108-K110 HydrophobicContact CB-CG 4.27Å; D108-K110 PolarHBondContact O-N 3.44Å
109Q94.3Very high94.9Very high93 Ų9332.5 Ų32.544%0.43517%0.167SC..G310 helixtrans54.134.8-169.5-53.4177.81.300112.7K103 A106 P107 G221K103-Q109 WeakPolarHBondContact CE-O 3.38Å; K103-Q109 CarbonylContact O-C 3.43Å; K103-Q109 WeakPolarHBondContact O-CA 3.19Å; A106-Q109 WeakPolarHBondContact O-CA 3.44Å; A106-Q109 PolarHBondContact O-N 3.21Å; P107-Q109 PolarHBondContact O-N 2.97Å; Q109-G221 WeakPolarHBondContact O-CA 3.48Å
110K95.3Very high95.1Very high86 Ų8632.5 Ų32.537%0.37417%0.167SC..  trans-116.8145.8179.8-70.7171.9-171.7170.80109.3A106 P107 D108 F218 Q220A106-K110 VanDerWaalsContact CB-O 3.28Å; A106-K110 WeakPolarHBondContact CB-O 3.3Å; P107-K110 PolarHBondContact O-N 2.97Å; D108-K110 HydrophobicContact CB-CD 4.03Å; D108-K110 HydrophobicContact CB-CG 4.27Å; D108-K110 PolarHBondContact O-N 3.44Å; K110-F218 CarbonylContact C-O 3.17Å; K110-F218 WeakPolarHBondContact CA-O 3.49Å; K110-Q220 VanDerWaalsContact CE-O 3.31Å; K110-Q220 WeakPolarHBondContact CE-O 3.33Å
111L95.6Very high95.3Very high3 Ų332.4 Ų32.42%0.01616%0.164CC..  trans-100.6149.2166.6-54.5-179000110.2K103 A106 T115 I119 F218 E295 W296K103-L111 HydrophobicContact CB-CD1 4.36Å; K103-L111 HydrophobicContact CB-CD2 4.33Å; K103-L111 HydrophobicContact CB-CG 4.29Å; K103-L111 HydrophobicContact CG-CG 4.21Å; A106-L111 HydrophobicContact CB-CD2 3.87Å; L111-T115 HydrophobicContact CB-CG2 4.04Å; L111-T115 HydrophobicContact CD1-CG2 3.92Å; L111-T115 HydrophobicContact CG-CG2 4.41Å; L111-I119 HydrophobicContact CD1-CD1 4.01Å; L111-F218 HydrophobicContact CB-CB 4.17Å; L111-F218 HydrophobicContact CD1-CB 4.05Å; L111-F218 HydrophobicContact CD1-CD1 3.93Å; L111-F218 HydrophobicContact CD1-CD2 3.92Å; L111-F218 HydrophobicContact CD1-CE1 4.3Å; L111-F218 HydrophobicContact CD1-CE2 4.32Å; L111-F218 HydrophobicContact CD1-CG 3.71Å; L111-F218 HydrophobicContact CD1-CZ 4.49Å; L111-F218 HydrophobicContact CG-CB 4.26Å; L111-F218 HydrophobicContact CG-CG 4.37Å; L111-F218 PolarHBondContact N-O 3.35Å; L111-E295 VanDerWaalsContact CA-OE2 3.31Å; L111-E295 WeakPolarHBondContact CA-OE2 3.43Å; L111-E295 HydrophobicContact CD2-CG 4.48Å; L111-E295 WeakPolarHBondContact CD2-OE2 3.45Å; L111-W296 HydrophobicContact CD1-CZ3 4.33Å; L111-W296 HydrophobicContact CD2-CZ3 4.02Å
112S95.2Very high95.5Very high26 Ų2633.6 Ų33.618%0.18217%0.169CC..  trans-59.1155.4173.267.80000111.3S114 T115 A116 E295S112-S114 VanDerWaalsContact C-N 3.25Å; S112-S114 PolarHBondContact O-N 2.97Å; S112-T115 PolarHBondContact O-N 3.07Å; S112-T115 VanDerWaalsContact OG-CB 3.29Å; S112-T115 WeakPolarHBondContact OG-CB 3.18Å; S112-T115 PolarHBondContact OG-N 3.22Å; S112-T115 VanDerWaalsContact OG-N 3.13Å; S112-T115 PolarHBondContact OG-OG1 2.97Å; S112-A116 WeakPolarHBondContact O-CB 3.46Å; S112-A116 PolarHBondContact O-N 3.12Å; S112-E295 WeakPolarHBondContact CB-OE1 3.33Å; S112-E295 PolarHBondContact N-OE1 3.1Å; S112-E295 PolarHBondContact OG-OE1 2.69Å
113C96Very high95.7Very high13 Ų1332.7 Ų32.79%0.08817%0.165CC..Hα-helixtrans-61.3-38176.7-177.90000111.4A116 V117 K219 Y288C113-A116 PolarHBondContact O-N 2.92Å; C113-V117 WeakPolarHBondContact O-CG2 3.43Å; C113-V117 PolarHBondContact O-N 3.38Å; C113-K219 HydrophobicContact CB-CD 4.03Å; C113-Y288 HydrophobicContact CB-CE2 4.2Å; C113-Y288 WeakPolarHBondContact CB-OH 3.46Å
114S96.4Very high96Very high17 Ų1732.2 Ų32.212%0.11916%0.163CC..Hα-helixtrans-59.6-49.8175.2178.20000112S112 V117 R118S112-S114 VanDerWaalsContact C-N 3.25Å; S112-S114 PolarHBondContact O-N 2.97Å; S114-V117 WeakPolarHBondContact O-CG2 3.17Å; S114-R118 WeakPolarHBondContact O-CB 3.49Å; S114-R118 VanDerWaalsContact O-CG 3.29Å; S114-R118 WeakPolarHBondContact O-CG 3.47Å; S114-R118 PolarHBondContact O-N 2.9Å; S114-R118 PolarHBondContact O-NE 3.27Å; S114-R118 PolarHBondContact OG-NE 2.76Å
115T96.8Very high96.3Very high1 Ų128.7 Ų28.71%0.00615%0.151CC..Hα-helixtrans-59.5-49.5175.7-66.70000111.3L111 S112 V117 R118 I119 F294 E295 W296L111-T115 HydrophobicContact CB-CG2 4.04Å; L111-T115 HydrophobicContact CD1-CG2 3.92Å; L111-T115 HydrophobicContact CG-CG2 4.41Å; S112-T115 PolarHBondContact O-N 3.07Å; S112-T115 VanDerWaalsContact OG-CB 3.29Å; S112-T115 WeakPolarHBondContact OG-CB 3.18Å; S112-T115 PolarHBondContact OG-N 3.22Å; S112-T115 VanDerWaalsContact OG-N 3.13Å; S112-T115 PolarHBondContact OG-OG1 2.97Å; T115-V117 PolarHBondContact O-N 3.19Å; T115-R118 PolarHBondContact O-N 3.38Å; T115-I119 HydrophobicContact CG2-CD1 3.55Å; T115-I119 HydrophobicContact CG2-CG1 4.34Å; T115-I119 VanDerWaalsContact O-CG1 3.3Å; T115-I119 WeakPolarHBondContact O-CG1 3.12Å; T115-I119 PolarHBondContact O-N 3.45Å; T115-F294 HydrophobicContact CG2-CD1 3.75Å; T115-F294 HydrophobicContact CG2-CE1 4.2Å; T115-E295 WeakPolarHBondContact CB-OE1 3.31Å; T115-E295 PolarHBondContact OG1-OE1 2.72Å; T115-W296 HydrophobicContact CG2-CH2 3.78Å; T115-W296 HydrophobicContact CG2-CZ3 3.75Å
116A97.7Very high96.6Very high2 Ų225.5 Ų25.52%0.01714%0.135CC..Hα-helixtrans-58.9-46-177.400000112.6S112 C113 I119 G120 L215 F218S112-A116 WeakPolarHBondContact O-CB 3.46Å; S112-A116 PolarHBondContact O-N 3.12Å; C113-A116 PolarHBondContact O-N 2.92Å; A116-I119 PolarHBondContact O-N 3.24Å; A116-G120 PolarHBondContact O-N 2.62Å; A116-L215 VanDerWaalsContact O-CD2 3.22Å; A116-L215 WeakPolarHBondContact O-CD2 3.33Å; A116-F218 HydrophobicContact CB-CB 4.25Å
117V98.2Very high96.9Very high0 Ų025 Ų250%013%0.131CC..Hα-helixtrans-71.2-34.7-179-61.40000113C113 S114 T115 G120 I121 F254 F279 V282 M283 Y288C113-V117 WeakPolarHBondContact O-CG2 3.43Å; C113-V117 PolarHBondContact O-N 3.38Å; S114-V117 WeakPolarHBondContact O-CG2 3.17Å; T115-V117 PolarHBondContact O-N 3.19Å; V117-G120 WeakPolarHBondContact O-CA 3.36Å; V117-G120 PolarHBondContact O-N 3.11Å; V117-G120 VanDerWaalsContact O-N 3.13Å; V117-I121 WeakPolarHBondContact O-CG1 3.48Å; V117-I121 PolarHBondContact O-N 2.93Å; V117-F254 HydrophobicContact CG1-CE2 4.21Å; V117-F254 HydrophobicContact CG1-CZ 4.44Å; V117-F279 HydrophobicContact CB-CB 4.36Å; V117-F279 HydrophobicContact CB-CD1 4.31Å; V117-F279 HydrophobicContact CG1-CD1 4.23Å; V117-V282 HydrophobicContact CG1-CB 4.18Å; V117-V282 HydrophobicContact CG1-CG1 3.91Å; V117-M283 HydrophobicContact CG2-CG 3.61Å; V117-M283 HydrophobicContact CG2-SD 4.32Å; V117-Y288 HydrophobicContact CG2-CD2 4.21Å
118R98.2Very high97.3Very high14 Ų1425.4 Ų25.45%0.05313%0.126CC..Hα-helixtrans-68.4-39.6175.8-70.2179.4-62.51640.4112S114 T115 G120 I121 Q122 M283 A292 P293 F294S114-R118 WeakPolarHBondContact O-CB 3.49Å; S114-R118 VanDerWaalsContact O-CG 3.29Å; S114-R118 WeakPolarHBondContact O-CG 3.47Å; S114-R118 PolarHBondContact O-N 2.9Å; S114-R118 PolarHBondContact O-NE 3.27Å; S114-R118 PolarHBondContact OG-NE 2.76Å; T115-R118 PolarHBondContact O-N 3.38Å; R118-G120 VanDerWaalsContact C-N 3.28Å; R118-I121 PolarHBondContact O-N 3.42Å; R118-Q122 PolarHBondContact O-N 2.89Å; R118-M283 HydrophobicContact CG-CE 3.76Å; R118-M283 HydrophobicContact CG-SD 3.86Å; R118-A292 PolarHBondContact NH1-O 2.92Å; R118-P293 PolarHBondContact NH2-O 3.38Å; R118-F294 HydrophobicContact CB-CE1 3.99Å; R118-F294 HydrophobicContact CB-CZ 4.32Å
119I98.4Very high97.6Very high1 Ų119.4 Ų19.41%0.0059%0.094CC..Hα-helixtrans-62.2-40.9168.2-67.3165.9000110.2L99 L111 T115 A116 I121 Q122 G123 L215 F218 F294 W296L99-I119 HydrophobicContact CD1-CD1 4.18Å; L99-I119 HydrophobicContact CD1-CG1 4.45Å; L99-I119 HydrophobicContact CD1-CG2 3.55Å; L99-I119 HydrophobicContact CD2-CD1 4.04Å; L111-I119 HydrophobicContact CD1-CD1 4.01Å; T115-I119 HydrophobicContact CG2-CD1 3.55Å; T115-I119 HydrophobicContact CG2-CG1 4.34Å; T115-I119 VanDerWaalsContact O-CG1 3.3Å; T115-I119 WeakPolarHBondContact O-CG1 3.12Å; T115-I119 PolarHBondContact O-N 3.45Å; A116-I119 PolarHBondContact O-N 3.24Å; I119-I121 VanDerWaalsContact C-N 3.33Å; I119-I121 PolarHBondContact O-N 2.98Å; I119-Q122 PolarHBondContact O-N 2.87Å; I119-G123 PolarHBondContact O-N 3.21Å; I119-L215 HydrophobicContact CG2-CD2 4.42Å; I119-F218 HydrophobicContact CD1-CD2 4.37Å; I119-F218 HydrophobicContact CD1-CE2 4.11Å; I119-F218 HydrophobicContact CG2-CE2 4Å; I119-F294 HydrophobicContact CG1-CE1 4.2Å; I119-W296 HydrophobicContact CD1-CH2 4.1Å
120G98.7Very high97.8Very high0 Ų015 Ų150%07%0.073CC..Hα-helixtrans-56.8-44.5177.300000112.8A116 V117 R118 G123 V124A116-G120 PolarHBondContact O-N 2.62Å; V117-G120 WeakPolarHBondContact O-CA 3.36Å; V117-G120 PolarHBondContact O-N 3.11Å; V117-G120 VanDerWaalsContact O-N 3.13Å; R118-G120 VanDerWaalsContact C-N 3.28Å; G120-G123 PolarHBondContact O-N 3.26Å; G120-V124 WeakPolarHBondContact O-CG2 3.07Å; G120-V124 PolarHBondContact O-N 3.48Å
121I98.8Very high98Very high14 Ų1411 Ų117%0.0726%0.056CC..Hα-helixtrans-58.8-57.6175.3-67.9164.9000110.4V117 R118 I119 G123 V124 E125 I276 F279 R280 M283V117-I121 WeakPolarHBondContact O-CG1 3.48Å; V117-I121 PolarHBondContact O-N 2.93Å; R118-I121 PolarHBondContact O-N 3.42Å; I119-I121 VanDerWaalsContact C-N 3.33Å; I119-I121 PolarHBondContact O-N 2.98Å; I121-G123 PolarHBondContact O-N 2.81Å; I121-V124 PolarHBondContact O-N 3.32Å; I121-V124 VanDerWaalsContact O-N 3.1Å; I121-E125 WeakPolarHBondContact O-CG 3.37Å; I121-E125 PolarHBondContact O-N 2.99Å; I121-I276 HydrophobicContact CG2-CG2 4.09Å; I121-F279 HydrophobicContact CD1-CB 4.01Å; I121-F279 HydrophobicContact CG1-CB 3.5Å; I121-F279 VanDerWaalsContact CG1-CB 3.5Å; I121-F279 HydrophobicContact CG1-CD2 4.28Å; I121-F279 HydrophobicContact CG1-CG 4.29Å; I121-R280 HydrophobicContact CD1-CG 3.9Å; I121-M283 HydrophobicContact CD1-SD 3.57Å; I121-M283 VanDerWaalsContact CD1-SD 3.57Å
122Q98.7Very high98Very high29 Ų2916 Ų1614%0.1368%0.079CC..Hα-helixtrans-61.9-32.8-179.3-65.4-168.661.300112.4H74 R118 I119 E125 A126 R155 V157H74-Q122 PolarHBondContact CE1-OE1 2.94Å; R118-Q122 PolarHBondContact O-N 2.89Å; I119-Q122 PolarHBondContact O-N 2.87Å; Q122-E125 PolarHBondContact O-N 3.5Å; Q122-A126 VanDerWaalsContact O-CB 3.32Å; Q122-A126 WeakPolarHBondContact O-CB 3.45Å; Q122-A126 PolarHBondContact O-N 3.45Å; Q122-R155 PolarHBondContact NE2-O 3.47Å; Q122-V157 HydrophobicContact CB-CB 4.19Å; Q122-V157 HydrophobicContact CB-CG2 4.43Å
123G98.8Very high98.1Very high0 Ų016.9 Ų16.90%08%0.082CC..Hα-helixtrans-65.8-42.9175.300000112.3I119 G120 I121 A126 I127I119-G123 PolarHBondContact O-N 3.21Å; G120-G123 PolarHBondContact O-N 3.26Å; I121-G123 PolarHBondContact O-N 2.81Å; G123-A126 PolarHBondContact O-N 3.43Å; G123-I127 WeakPolarHBondContact O-CB 3.48Å; G123-I127 WeakPolarHBondContact O-CD1 3.05Å; G123-I127 WeakPolarHBondContact O-CG1 3.38Å; G123-I127 PolarHBondContact O-N 3.46Å
124V98.9Very high98.1Very high2 Ų216.7 Ų16.71%0.0128%0.082CC..Hα-helixtrans-65.6-41.2174.2175.40000110.7G120 I121 I127 R128 L208 L211 Y272 F275 I276 F279G120-V124 WeakPolarHBondContact O-CG2 3.07Å; G120-V124 PolarHBondContact O-N 3.48Å; I121-V124 PolarHBondContact O-N 3.32Å; I121-V124 VanDerWaalsContact O-N 3.1Å; V124-I127 PolarHBondContact O-N 3.08Å; V124-R128 WeakPolarHBondContact O-CB 3.39Å; V124-R128 PolarHBondContact O-N 3.39Å; V124-L208 HydrophobicContact CG2-CD2 4.25Å; V124-L211 HydrophobicContact CG2-CD2 3.74Å; V124-Y272 HydrophobicContact CG1-CD1 4.08Å; V124-F275 HydrophobicContact CG1-CB 4.13Å; V124-F275 HydrophobicContact CG2-CB 4.03Å; V124-I276 HydrophobicContact CB-CG1 3.99Å; V124-I276 HydrophobicContact CG1-CD1 4.08Å; V124-I276 HydrophobicContact CG1-CG1 3.74Å; V124-F279 HydrophobicContact CG2-CD2 4.46Å; V124-F279 HydrophobicContact CG2-CE2 3.85Å
125E98.9Very high98.1Very high41 Ų4116 Ų1619%0.1928%0.077CC..Hα-helixtrans-61.5-45.4176.3-67.6174143.800111.6H74 I121 Q122 I127 R128 D129 I276H74-E125 IonicContact CE1-OE2 2.66Å; H74-E125 WeakPolarHBondContact NE2-CB 2.92Å; H74-E125 IonicContact NE2-OE2 3.24Å; H74-E125 PolarHBondContact NE2-OE2 3.05Å; I121-E125 WeakPolarHBondContact O-CG 3.37Å; I121-E125 PolarHBondContact O-N 2.99Å; Q122-E125 PolarHBondContact O-N 3.5Å; E125-I127 PolarHBondContact O-N 3.09Å; E125-R128 WeakPolarHBondContact O-CB 3.22Å; E125-R128 PolarHBondContact O-N 3.48Å; E125-D129 PolarHBondContact O-N 3.22Å; E125-I276 HydrophobicContact CG-CD1 3.68Å; E125-I276 HydrophobicContact CG-CG1 4.42Å
126A98.8Very high98.2Very high3 Ų316.2 Ų16.23%0.0258%0.078CC..Hα-helixtrans-63.8-39.8175.900000112.8H74 Q122 G123 D129 I130 F145 L159H74-A126 HydrophobicContact CB-CB 3.46Å; H74-A126 VanDerWaalsContact CB-CB 3.46Å; Q122-A126 VanDerWaalsContact O-CB 3.32Å; Q122-A126 WeakPolarHBondContact O-CB 3.45Å; Q122-A126 PolarHBondContact O-N 3.45Å; G123-A126 PolarHBondContact O-N 3.43Å; A126-D129 PolarHBondContact O-N 3.48Å; A126-I130 PolarHBondContact O-N 2.75Å; A126-F145 HydrophobicContact CB-CE1 4.22Å; A126-L159 HydrophobicContact CB-CB 4.01Å; A126-L159 HydrophobicContact CB-CD2 4.34Å
127I98.9Very high98.2Very high0 Ų016.1 Ų16.10%08%0.077CC..Hα-helixtrans-67.3-39.1175.7-73170.1000110.7G123 V124 E125 I130 H131 I140 D207 L208 L211 Y272G123-I127 WeakPolarHBondContact O-CB 3.48Å; G123-I127 WeakPolarHBondContact O-CD1 3.05Å; G123-I127 WeakPolarHBondContact O-CG1 3.38Å; G123-I127 PolarHBondContact O-N 3.46Å; V124-I127 PolarHBondContact O-N 3.08Å; E125-I127 PolarHBondContact O-N 3.09Å; I127-I130 WeakPolarHBondContact O-CG2 3.45Å; I127-H131 WeakPolarHBondContact CG2-CE1 3.41Å; I127-H131 VanDerWaalsContact CG2-ND1 3.33Å; I127-H131 WeakPolarHBondContact CG2-ND1 3.37Å; I127-H131 WeakPolarHBondContact O-CB 3.39Å; I127-H131 PolarHBondContact O-N 3.39Å; I127-H131 VanDerWaalsContact O-N 3.1Å; I127-H131 PolarHBondContact O-ND1 2.86Å; I127-I140 HydrophobicContact CD1-CD1 4.1Å; I127-I140 HydrophobicContact CD1-CG1 4.19Å; I127-I140 HydrophobicContact CD1-CG2 4.31Å; I127-I140 HydrophobicContact CG1-CD1 3.84Å; I127-I140 HydrophobicContact CG1-CG1 4.35Å; I127-D207 HydrophobicContact CD1-CB 4.39Å; I127-D207 HydrophobicContact CG2-CB 4.05Å; I127-L208 HydrophobicContact CB-CD2 4.45Å; I127-L208 HydrophobicContact CD1-CD2 4.15Å; I127-L208 HydrophobicContact CG2-CD2 3.9Å; I127-L208 HydrophobicContact CG2-CG 4.33Å; I127-L211 HydrophobicContact CD1-CB 3.88Å; I127-L211 HydrophobicContact CD1-CD2 3.89Å; I127-L211 HydrophobicContact CD1-CG 4.45Å; I127-Y272 HydrophobicContact CG2-CE1 4.22Å
128R98.8Very high98.1Very high53 Ų5317.4 Ų17.420%0.28%0.082CC..Hα-helixtrans-59.6-47.7172.3176.9177.362.4-162-2.8110.4V124 E125 I130 H131 E132 Y272 D273V124-R128 WeakPolarHBondContact O-CB 3.39Å; V124-R128 PolarHBondContact O-N 3.39Å; E125-R128 WeakPolarHBondContact O-CB 3.22Å; E125-R128 PolarHBondContact O-N 3.48Å; R128-I130 PolarHBondContact O-N 2.86Å; R128-H131 PolarHBondContact O-N 3.4Å; R128-H131 VanDerWaalsContact O-N 3.12Å; R128-E132 WeakPolarHBondContact CD-OE1 3.22Å; R128-E132 HydrophobicContact CG-CG 4.2Å; R128-E132 VanDerWaalsContact CG-OE1 3.28Å; R128-E132 WeakPolarHBondContact CG-OE1 3.33Å; R128-E132 WeakPolarHBondContact O-CG 3.41Å; R128-E132 PolarHBondContact O-N 2.91Å; R128-Y272 HydrophobicContact CB-CD1 3.93Å; R128-Y272 HydrophobicContact CB-CD2 4.12Å; R128-Y272 HydrophobicContact CB-CE1 4.34Å; R128-Y272 HydrophobicContact CB-CG 3.82Å; R128-Y272 HydrophobicContact CG-CD2 3.86Å; R128-Y272 HydrophobicContact CG-CE2 4.31Å; R128-Y272 HydrophobicContact CG-CG 4.02Å; R128-D273 IonicContact NH1-OD1 3.1Å; R128-D273 PolarHBondContact NH1-OD1 2.69Å
129D98.6Very high98Very high9 Ų917 Ų175%0.0488%0.08CC..Hα-helixtrans-57.5-43.9-178.6-76.3-28000113.1L69 K72 P73 H74 E125 A126 I133L69-D129 HydrophobicContact CD2-CB 4.26Å; K72-D129 HydrophobicContact CB-CB 4.11Å; K72-D129 HydrophobicContact CD-CB 4.19Å; K72-D129 WeakPolarHBondContact CD-OD1 3.3Å; K72-D129 HydrophobicContact CG-CB 4.04Å; K72-D129 IonicContact NZ-OD1 3.62Å; K72-D129 PolarHBondContact NZ-OD1 3.25Å; K72-D129 VanDerWaalsContact NZ-OD1 3.11Å; P73-D129 WeakPolarHBondContact CD-OD2 3.23Å; H74-D129 IonicContact CD2-OD2 3.2Å; E125-D129 PolarHBondContact O-N 3.22Å; A126-D129 PolarHBondContact O-N 3.48Å; D129-I133 PolarHBondContact O-N 2.75Å
130I98.6Very high97.9Very high0 Ų017 Ų170%08%0.081CC..Hα-helixtrans-70-37.1176.6-167.3172000112.3V65 L69 A126 I127 R128 I133 F135 H137 L159 F162V65-I130 HydrophobicContact CG1-CD1 4.16Å; V65-I130 HydrophobicContact CG1-CG1 4.36Å; L69-I130 HydrophobicContact CD2-CB 4.47Å; A126-I130 PolarHBondContact O-N 2.75Å; I127-I130 WeakPolarHBondContact O-CG2 3.45Å; R128-I130 PolarHBondContact O-N 2.86Å; I130-I133 WeakPolarHBondContact O-CG1 3.35Å; I130-I133 PolarHBondContact O-N 3.07Å; I130-F135 CarbonylContact C-O 3.57Å; I130-F135 VanDerWaalsContact C-O 3.23Å; I130-F135 HydrophobicContact CD1-CB 4.31Å; I130-F135 HydrophobicContact CG1-CB 3.77Å; I130-F135 PolarHBondContact O-N 2.82Å; I130-F135 VanDerWaalsContact O-N 3.11Å; I130-H137 HydrophobicContact CD1-CB 3.94Å; I130-L159 HydrophobicContact CG2-CD2 4.39Å; I130-F162 HydrophobicContact CD1-CD1 3.76Å; I130-F162 HydrophobicContact CD1-CE1 4.13Å
131H98.1Very high97.8Very high2 Ų217 Ų171%0.0098%0.081CC..Hα-helixtrans-66.3-38.8176.8-69.6148.4000112.4I127 R128 I133 G134 F135 L136 Y168 R204 D207 Y272I127-H131 WeakPolarHBondContact CG2-CE1 3.41Å; I127-H131 VanDerWaalsContact CG2-ND1 3.33Å; I127-H131 WeakPolarHBondContact CG2-ND1 3.37Å; I127-H131 WeakPolarHBondContact O-CB 3.39Å; I127-H131 PolarHBondContact O-N 3.39Å; I127-H131 VanDerWaalsContact O-N 3.1Å; I127-H131 PolarHBondContact O-ND1 2.86Å; R128-H131 PolarHBondContact O-N 3.4Å; R128-H131 VanDerWaalsContact O-N 3.12Å; H131-I133 VanDerWaalsContact C-N 3.3Å; H131-I133 PolarHBondContact O-N 2.78Å; H131-G134 WeakPolarHBondContact O-CA 3.43Å; H131-G134 PolarHBondContact O-N 2.61Å; H131-F135 WeakPolarHBondContact CA-O 3.47Å; H131-F135 PolarHBondContact CD2-O 3.31Å; H131-F135 PolarHBondContact N-O 3.17Å; H131-L136 WeakPolarHBondContact NE2-CD2 3.3Å; H131-Y168 HydrophobicContact CB-CE1 4.47Å; H131-Y168 WeakPolarHBondContact O-CE1 3.28Å; H131-Y168 PolarHBondContact O-OH 3.35Å; H131-R204 HydrophobicContact CB-CG 4.43Å; H131-R204 PolarHBondContact CE1-O 2.64Å; H131-R204 VanDerWaalsContact CE1-O 3.24Å; H131-R204 WeakPolarHBondContact NE2-CA 3.46Å; H131-D207 IonicContact CE1-OD2 3.26Å; H131-D207 IonicContact NE2-OD2 3.85Å; H131-D207 PolarHBondContact NE2-OD2 3.04Å; H131-Y272 WeakPolarHBondContact CB-OH 3.3Å; H131-Y272 VanDerWaalsContact CG-OH 3.3Å; H131-Y272 AromaticContact ND1-CE1 3.59Å; H131-Y272 AromaticContact ND1-CZ 3.51Å; H131-Y272 PolarHBondContact ND1-OH 2.94Å
132E96.5Very high97.7Very high108 Ų10816.4 Ų16.451%0.5058%0.078SC..Hα-helixtrans-63.5-34178.5-77.2177.6-17800112.8K72 R128 G134K72-E132 IonicContact NZ-OE2 2.83Å; K72-E132 PolarHBondContact NZ-OE2 3.02Å; R128-E132 WeakPolarHBondContact CD-OE1 3.22Å; R128-E132 HydrophobicContact CG-CG 4.2Å; R128-E132 VanDerWaalsContact CG-OE1 3.28Å; R128-E132 WeakPolarHBondContact CG-OE1 3.33Å; R128-E132 WeakPolarHBondContact O-CG 3.41Å; R128-E132 PolarHBondContact O-N 2.91Å; E132-G134 PolarHBondContact O-N 3.31Å
133I96.5Very high97.4Very high46 Ų4615 Ų1524%0.2367%0.071CC..THydrogen-bonded Turntrans-805173.366.2158.2000113.2V65 K68 L69 D129 I130 H131 F135V65-I133 HydrophobicContact CG1-CD1 4.06Å; K68-I133 HydrophobicContact CB-CD1 3.69Å; L69-I133 HydrophobicContact CD1-CD1 4.5Å; L69-I133 HydrophobicContact CD2-CD1 3.61Å; L69-I133 HydrophobicContact CD2-CG1 4.03Å; L69-I133 HydrophobicContact CD2-CG2 4.35Å; L69-I133 HydrophobicContact CG-CD1 3.59Å; D129-I133 PolarHBondContact O-N 2.75Å; I130-I133 WeakPolarHBondContact O-CG1 3.35Å; I130-I133 PolarHBondContact O-N 3.07Å; H131-I133 VanDerWaalsContact C-N 3.3Å; H131-I133 PolarHBondContact O-N 2.78Å; I133-F135 HydrophobicContact CD1-CD2 4.12Å; I133-F135 HydrophobicContact CG1-CD2 4.18Å; I133-F135 WeakPolarHBondContact O-CD2 3.17Å
134G96.3Very high97.3Very high8 Ų815 Ų158%0.0827%0.071CC..THydrogen-bonded Turntrans88.217.317300000115.4H131 E132 Q167 Y168H131-G134 WeakPolarHBondContact O-CA 3.43Å; H131-G134 PolarHBondContact O-N 2.61Å; E132-G134 PolarHBondContact O-N 3.31Å; G134-Q167 VanDerWaalsContact O-CA 3.3Å; G134-Q167 WeakPolarHBondContact O-CA 3.22Å; G134-Y168 VanDerWaalsContact C-CD1 3.48Å; G134-Y168 VanDerWaalsContact O-CD1 3.3Å; G134-Y168 WeakPolarHBondContact O-CD1 3.48Å; G134-Y168 PolarHBondContact O-N 2.76Å
135F97.7Very high97.2Very high4 Ų415 Ų152%0.0187%0.071CC..EExtended strand (participates in β ladder)trans-118144.2-178.7-75.9-98000112.3M61 Y64 V65 I130 H131 I133 R166 Q167M61-F135 HydrophobicContact SD-CE1 3.86Å; Y64-F135 HydrophobicContact CD1-CE2 4.38Å; Y64-F135 AromaticContact CD1-CZ 3.83Å; Y64-F135 HydrophobicContact CD1-CZ 3.83Å; Y64-F135 AromaticContact CE1-CE2 3.83Å; Y64-F135 HydrophobicContact CE1-CE2 3.83Å; Y64-F135 AromaticContact CE1-CZ 3.5Å; Y64-F135 HydrophobicContact CE1-CZ 3.5Å; Y64-F135 VanDerWaalsContact CE1-CZ 3.5Å; V65-F135 HydrophobicContact CG2-CD1 3.72Å; V65-F135 HydrophobicContact CG2-CE1 3.76Å; V65-F135 HydrophobicContact CG2-CG 4.12Å; V65-F135 HydrophobicContact CG2-CZ 4.22Å; I130-F135 CarbonylContact C-O 3.57Å; I130-F135 VanDerWaalsContact C-O 3.23Å; I130-F135 HydrophobicContact CD1-CB 4.31Å; I130-F135 HydrophobicContact CG1-CB 3.77Å; I130-F135 PolarHBondContact O-N 2.82Å; I130-F135 VanDerWaalsContact O-N 3.11Å; H131-F135 WeakPolarHBondContact CA-O 3.47Å; H131-F135 PolarHBondContact CD2-O 3.31Å; H131-F135 PolarHBondContact N-O 3.17Å; I133-F135 HydrophobicContact CD1-CD2 4.12Å; I133-F135 HydrophobicContact CG1-CD2 4.18Å; I133-F135 WeakPolarHBondContact O-CD2 3.17Å; F135-R166 CarbonylContact C-O 3.54Å; F135-R166 WeakPolarHBondContact CA-O 3.3Å; F135-Q167 HydrophobicContact CD1-CG 3.95Å; F135-Q167 HydrophobicContact CD2-CG 4.3Å; F135-Q167 HydrophobicContact CE1-CB 4.44Å; F135-Q167 HydrophobicContact CE1-CG 3.34Å; F135-Q167 HydrophobicContact CE2-CG 3.74Å; F135-Q167 HydrophobicContact CG-CG 4.38Å; F135-Q167 HydrophobicContact CZ-CG 3.19Å
136L97.9Very high97.1Very high4 Ų413 Ų132%0.0216%0.062CC..EExtended strand (participates in β ladder)trans-89.9147.1160.7-53.2176.7000108.6H131 R138 S165 R166 Y168 Q202 R204H131-L136 WeakPolarHBondContact NE2-CD2 3.3Å; L136-R138 HydrophobicContact CB-CG 3.66Å; L136-S165 CarbonylContact O-C 3.49Å; L136-S165 WeakPolarHBondContact O-CA 3.42Å; L136-S165 VanDerWaalsContact O-CB 3.22Å; L136-S165 WeakPolarHBondContact O-CB 3.29Å; L136-S165 PolarHBondContact O-OG 3.09Å; L136-R166 PolarHBondContact N-O 3.42Å; L136-R166 PolarHBondContact O-N 3.38Å; L136-Y168 HydrophobicContact CD2-CD1 3.68Å; L136-Y168 HydrophobicContact CD2-CE1 4.3Å; L136-Y168 HydrophobicContact CD2-CG 4.04Å; L136-Y168 HydrophobicContact CG-CD1 3.89Å; L136-Y168 HydrophobicContact CG-CG 4.21Å; L136-Q202 HydrophobicContact CD1-CB 4.26Å; L136-Q202 WeakPolarHBondContact CD1-O 3.27Å; L136-R204 HydrophobicContact CD2-CB 4.34Å; L136-R204 HydrophobicContact CD2-CG 3.74Å
137H97.6Very high97Very high0 Ų013.4 Ų13.40%06%0.064CC..  trans-75-52.3174-169.5-92.2000111.5I130 D139 I140 L160 D161 F162 L164 D207I130-H137 HydrophobicContact CD1-CB 3.94Å; H137-D139 PolarHBondContact CE1-O 2.69Å; H137-D139 PolarHBondContact ND1-N 3.42Å; H137-D139 PolarHBondContact ND1-O 3.05Å; H137-D139 PolarHBondContact O-N 3.37Å; H137-I140 HydrophobicContact CB-CD1 3.67Å; H137-I140 HydrophobicContact CB-CG1 3.95Å; H137-I140 PolarHBondContact ND1-N 3.18Å; H137-L160 PolarHBondContact NE2-O 2.87Å; H137-D161 PolarHBondContact NE2-O 3.26Å; H137-F162 AromaticContact CD2-CD1 3.74Å; H137-L164 CarbonylContact O-C 3.6Å; H137-D207 PolarHBondContact N-OD2 2.93Å
138R96.4Very high96.9Very high27 Ų2713.6 Ų13.610%0.1027%0.066CC..SBendtrans69.43.8178-50.9-163.9-62160.40.8116.9L136 L164 G187 D207L136-R138 HydrophobicContact CB-CG 3.66Å; R138-L164 PolarHBondContact NE-O 2.98Å; R138-L164 PolarHBondContact NH2-O 2.92Å; R138-G187 WeakPolarHBondContact O-CA 3.39Å; R138-D207 WeakPolarHBondContact CA-OD1 3.45Å; R138-D207 PolarHBondContact N-OD1 3.3Å
139D95.4Very high96.6Very high5 Ų514.8 Ų14.83%0.0277%0.073CC..  trans-145.344.9174-159.735.3000112.6H137 K141 N144 L164 G187 T188H137-D139 PolarHBondContact CE1-O 2.69Å; H137-D139 PolarHBondContact ND1-N 3.42Å; H137-D139 PolarHBondContact ND1-O 3.05Å; H137-D139 PolarHBondContact O-N 3.37Å; D139-K141 PolarHBondContact O-N 2.74Å; D139-K141 IonicContact OD1-NZ 3.11Å; D139-K141 WeakPolarHBondContact OD2-CE 3.15Å; D139-K141 IonicContact OD2-NZ 2.62Å; D139-K141 PolarHBondContact OD2-NZ 2.73Å; D139-N144 PolarHBondContact O-ND2 3.48Å; D139-N144 PolarHBondContact OD2-ND2 3.14Å; D139-L164 HydrophobicContact CB-CB 4.45Å; D139-L164 HydrophobicContact CB-CD1 3.88Å; D139-G187 VanDerWaalsContact OD1-CA 3.26Å; D139-G187 WeakPolarHBondContact OD1-CA 3.39Å; D139-T188 PolarHBondContact OD1-N 2.94Å; D139-T188 PolarHBondContact OD1-OG1 3.02Å
140I97.8Very high96.2Very high2 Ų219 Ų191%0.019%0.092CC..  trans-66.4117175.3-65.1-63.4000108.9I127 H137 F145 L159 D207 C210 L211 M214I127-I140 HydrophobicContact CD1-CD1 4.1Å; I127-I140 HydrophobicContact CD1-CG1 4.19Å; I127-I140 HydrophobicContact CD1-CG2 4.31Å; I127-I140 HydrophobicContact CG1-CD1 3.84Å; I127-I140 HydrophobicContact CG1-CG1 4.35Å; H137-I140 HydrophobicContact CB-CD1 3.67Å; H137-I140 HydrophobicContact CB-CG1 3.95Å; H137-I140 PolarHBondContact ND1-N 3.18Å; I140-F145 HydrophobicContact CD1-CE2 4.25Å; I140-F145 HydrophobicContact CD1-CZ 4.11Å; I140-F145 HydrophobicContact CG2-CE2 3.98Å; I140-F145 HydrophobicContact CG2-CZ 4.44Å; I140-L159 HydrophobicContact CD1-CD1 3.72Å; I140-L159 HydrophobicContact CD1-CD2 4.36Å; I140-D207 HydrophobicContact CG1-CB 3.93Å; I140-C210 HydrophobicContact CB-CB 3.52Å; I140-C210 HydrophobicContact CG2-CB 3.67Å; I140-C210 WeakPolarHBondContact O-CB 3.46Å; I140-L211 HydrophobicContact CG2-CB 3.99Å; I140-M214 HydrophobicContact CG2-SD 3.78Å
141K96Very high95.8Very high0 Ų024.6 Ų24.60%013%0.128CC..SBendtrans-161.1162.3-179.469.3-166.4-174-157.60110.1D139 G143 N144 F145 T188 Y191 M214D139-K141 PolarHBondContact O-N 2.74Å; D139-K141 IonicContact OD1-NZ 3.11Å; D139-K141 WeakPolarHBondContact OD2-CE 3.15Å; D139-K141 IonicContact OD2-NZ 2.62Å; D139-K141 PolarHBondContact OD2-NZ 2.73Å; K141-G143 VanDerWaalsContact C-N 3.27Å; K141-G143 PolarHBondContact O-N 3.43Å; K141-N144 WeakPolarHBondContact CE-ND2 3.3Å; K141-N144 HydrophobicContact CG-CB 4.1Å; K141-N144 PolarHBondContact O-N 3.21Å; K141-F145 WeakPolarHBondContact O-CD2 3.47Å; K141-T188 WeakPolarHBondContact CD-OG1 3.45Å; K141-T188 PolarHBondContact NZ-OG1 2.87Å; K141-Y191 HydrophobicContact CB-CD2 3.47Å; K141-Y191 VanDerWaalsContact CB-CD2 3.47Å; K141-Y191 HydrophobicContact CB-CE2 3.72Å; K141-Y191 HydrophobicContact CB-CG 4.35Å; K141-M214 WeakPolarHBondContact CA-SD 3.46Å; K141-M214 PolarHBondContact N-SD 3.49Å
142P96.2Very high95.5Very high2 Ų230 Ų301%0.01317%0.167CC..G310 helixtrans-60.1-35-174.8-23.836.2000113.4L99 A100 N144 F145 Y191 M214 F218L99-P142 HydrophobicContact CB-CB 4.04Å; L99-P142 WeakPolarHBondContact CB-O 3.43Å; L99-P142 PolarHBondContact N-O 2.77Å; A100-P142 HydrophobicContact CB-CB 3.92Å; A100-P142 PolarHBondContact N-O 2.65Å; P142-N144 PolarHBondContact O-N 2.76Å; P142-F145 PolarHBondContact O-N 3.36Å; P142-F145 VanDerWaalsContact O-O 3.07Å; P142-Y191 VanDerWaalsContact CD-CE2 3.43Å; P142-Y191 WeakPolarHBondContact CD-OH 3.46Å; P142-Y191 HydrophobicContact CG-CE1 4.4Å; P142-Y191 HydrophobicContact CG-CE2 4.39Å; P142-Y191 WeakPolarHBondContact CG-OH 3.4Å; P142-M214 HydrophobicContact CB-CE 4.26Å; P142-M214 HydrophobicContact CG-CB 4.45Å; P142-M214 HydrophobicContact CG-CE 3.96Å; P142-M214 HydrophobicContact CG-CG 3.95Å; P142-M214 HydrophobicContact CG-SD 4.38Å; P142-F218 HydrophobicContact CB-CE1 3.81Å; P142-F218 HydrophobicContact CB-CZ 3.88Å; P142-F218 HydrophobicContact CG-CE1 3.66Å; P142-F218 HydrophobicContact CG-CZ 3.92Å
143G93.6Very high95.4Very high0 Ų025.9 Ų25.90%015%0.148CC..G310 helixtrans-68.9-12.117700000114.7K141 Q323K141-G143 VanDerWaalsContact C-N 3.27Å; K141-G143 PolarHBondContact O-N 3.43Å; G143-Q323 WeakPolarHBondContact O-CB 3.33Å; G143-Q323 WeakPolarHBondContact O-CG 3.39Å; G143-Q323 PolarHBondContact O-NE2 2.81Å
144N95.8Very high95.2Very high0 Ų025.4 Ų25.40%015%0.148CC..G310 helixtrans-102.711.4175.7-73-9.8000112.7D139 K141 P142 L160 Q323D139-N144 PolarHBondContact O-ND2 3.48Å; D139-N144 PolarHBondContact OD2-ND2 3.14Å; K141-N144 WeakPolarHBondContact CE-ND2 3.3Å; K141-N144 HydrophobicContact CG-CB 4.1Å; K141-N144 PolarHBondContact O-N 3.21Å; P142-N144 PolarHBondContact O-N 2.76Å; N144-L160 WeakPolarHBondContact O-CB 3.28Å; N144-L160 PolarHBondContact O-N 3.35Å; N144-Q323 PolarHBondContact OD1-NE2 2.88Å
145F97.5Very high95.1Very high1 Ų130.1 Ų30.10%0.00416%0.163CC..EExtended strand (participates in β ladder)trans-121.7137.9167.2-73.1-89.4000109.7N98 L99 A126 I140 K141 P142 V157 Y158 L159 M214N98-F145 CarbonylContact C-O 3.55Å; N98-F145 WeakPolarHBondContact CA-O 3.25Å; N98-F145 WeakPolarHBondContact CB-O 3.42Å; L99-F145 HydrophobicContact CB-CB 4.5Å; L99-F145 HydrophobicContact CD1-CB 3.49Å; L99-F145 VanDerWaalsContact CD1-CB 3.49Å; L99-F145 HydrophobicContact CD1-CG 4.19Å; L99-F145 HydrophobicContact CG-CB 3.75Å; L99-F145 PolarHBondContact N-O 2.75Å; A126-F145 HydrophobicContact CB-CE1 4.22Å; I140-F145 HydrophobicContact CD1-CE2 4.25Å; I140-F145 HydrophobicContact CD1-CZ 4.11Å; I140-F145 HydrophobicContact CG2-CE2 3.98Å; I140-F145 HydrophobicContact CG2-CZ 4.44Å; K141-F145 WeakPolarHBondContact O-CD2 3.47Å; P142-F145 PolarHBondContact O-N 3.36Å; P142-F145 VanDerWaalsContact O-O 3.07Å; F145-V157 HydrophobicContact CB-CG1 3.82Å; F145-V157 HydrophobicContact CD1-CG1 3.68Å; F145-V157 HydrophobicContact CG-CG1 4.17Å; F145-Y158 CarbonylContact C-O 3.43Å; F145-Y158 VanDerWaalsContact CA-O 3.25Å; F145-Y158 WeakPolarHBondContact CA-O 3.36Å; F145-L159 HydrophobicContact CD1-CB 4.45Å; F145-L159 HydrophobicContact CD1-CD1 4.25Å; F145-L159 HydrophobicContact CD2-CD1 4.45Å; F145-L159 HydrophobicContact CE1-CB 4.2Å; F145-L159 HydrophobicContact CE1-CD1 3.79Å; F145-L159 HydrophobicContact CE2-CD1 4.01Å; F145-L159 HydrophobicContact CZ-CD1 3.67Å; F145-M214 HydrophobicContact CD2-CE 3.73Å; F145-M214 HydrophobicContact CD2-SD 4.38Å; F145-M214 HydrophobicContact CE2-CE 3.91Å; F145-M214 HydrophobicContact CE2-SD 4.13Å
146A96.7Very high95Very high0 Ų033.2 Ų33.20%018%0.177CC..EExtended strand (participates in β ladder)trans-136.6148.6176.300000112.4A95 S97 N98 V157 Y158 L160 P319A95-A146 HydrophobicContact CB-CB 3.8Å; S97-A146 WeakPolarHBondContact O-CA 3.25Å; N98-A146 HydrophobicContact CB-CB 4.33Å; A146-V157 CarbonylContact O-C 3.49Å; A146-V157 WeakPolarHBondContact O-CA 3.14Å; A146-Y158 PolarHBondContact N-O 3.32Å; A146-Y158 PolarHBondContact O-N 3.46Å; A146-L160 HydrophobicContact CB-CD1 3.64Å; A146-L160 HydrophobicContact CB-CG 4.35Å; A146-P319 HydrophobicContact CB-CB 4.28Å
147V96.5Very high95Very high10 Ų1033 Ų336%0.06118%0.176CC..EExtended strand (participates in β ladder)trans-76.5160.7174.6-62.80000111.1G96 S97 L99 L102 K156 W296G96-V147 WeakPolarHBondContact CA-O 3.4Å; G96-V147 PolarHBondContact N-O 2.99Å; S97-V147 WeakPolarHBondContact O-CG2 3.46Å; S97-V147 PolarHBondContact O-N 3.34Å; L99-V147 HydrophobicContact CD2-CG1 4.34Å; L102-V147 HydrophobicContact CD1-CG1 3.93Å; L102-V147 HydrophobicContact CD1-CG2 4.23Å; V147-K156 CarbonylContact C-O 3.56Å; V147-K156 VanDerWaalsContact CA-O 3.28Å; V147-K156 WeakPolarHBondContact CA-O 3.27Å; V147-W296 HydrophobicContact CG1-CZ2 3.8Å
148G95.5Very high95.1Very high5 Ų533.6 Ų33.65%0.05218%0.178CC..  trans-61.2149.5168.600000112.2D153 K156G148-D153 VanDerWaalsContact CA-O 3.28Å; G148-D153 WeakPolarHBondContact CA-O 3.21Å; G148-D153 VanDerWaalsContact CA-OD1 3.28Å; G148-D153 WeakPolarHBondContact CA-OD1 3.22Å; G148-D153 PolarHBondContact N-O 2.9Å; G148-K156 PolarHBondContact N-O 2.97Å
149K93Very high95.1Very high78 Ų7832.5 Ų32.534%0.33917%0.174SC..SBendtrans-86.5-33.6-178.2-176176.4174.6-116.50111.6E44 L94 D153E44-K149 IonicContact OE2-NZ 2.83Å; E44-K149 PolarHBondContact OE2-NZ 2.78Å; L94-K149 HydrophobicContact CB-CD 4.28Å; L94-K149 HydrophobicContact CD2-CD 3.72Å; L94-K149 HydrophobicContact CG-CD 3.82Å; K149-D153 PolarHBondContact N-OD1 2.87Å
150E91.4Very high95.1Very high98 Ų9832.5 Ų32.546%0.45817%0.174SC..SBendtrans-96.1155-169.6-59.4-58.6148.400110.1S152 D153 C154E150-S152 PolarHBondContact O-N 3.38Å; E150-D153 PolarHBondContact N-OD1 3.35Å; E150-D153 CarbonylContact O-C 3.58Å; E150-D153 PolarHBondContact O-N 3.46Å; E150-D153 VanDerWaalsContact O-OD1 3.09Å; E150-C154 WeakPolarHBondContact O-CB 3.38Å; E150-C154 PolarHBondContact O-N 3.45Å
151P89.4Confident94.8Very high117 Ų11732.9 Ų32.976%0.7618%0.176SC*.THydrogen-bonded Turntrans-56.1-27.2177.4-27.235.3000114.1D153 C154P151-D153 VanDerWaalsContact C-N 3.3Å; P151-D153 PolarHBondContact O-N 3.39Å; P151-C154 PolarHBondContact O-SG 3.24Å
152S91.9Very high94.7Very high116 Ų11633 Ų3381%0.81118%0.177SC*.THydrogen-bonded Turntrans-75.2-16.917958.10000113.9E150E150-S152 PolarHBondContact O-N 3.38Å
153D93.7Very high94.4Very high20 Ų2033.4 Ų33.411%0.10718%0.181CC..THydrogen-bonded Turntrans-135.28.7-178.479.9-21.1000114.7Q93 G148 K149 E150 P151 R155 K156 Y158Q93-D153 PolarHBondContact NE2-OD2 3.2Å; G148-D153 VanDerWaalsContact CA-O 3.28Å; G148-D153 WeakPolarHBondContact CA-O 3.21Å; G148-D153 VanDerWaalsContact CA-OD1 3.28Å; G148-D153 WeakPolarHBondContact CA-OD1 3.22Å; G148-D153 PolarHBondContact N-O 2.9Å; K149-D153 PolarHBondContact N-OD1 2.87Å; E150-D153 PolarHBondContact N-OD1 3.35Å; E150-D153 CarbonylContact O-C 3.58Å; E150-D153 PolarHBondContact O-N 3.46Å; E150-D153 VanDerWaalsContact O-OD1 3.09Å; P151-D153 VanDerWaalsContact C-N 3.3Å; P151-D153 PolarHBondContact O-N 3.39Å; D153-R155 PolarHBondContact O-N 3.27Å; D153-K156 HydrophobicContact CB-CB 4.38Å; D153-K156 WeakPolarHBondContact O-CA 3.12Å; D153-K156 VanDerWaalsContact O-CB 3.24Å; D153-K156 WeakPolarHBondContact O-CB 3.15Å; D153-K156 PolarHBondContact O-N 3.11Å; D153-Y158 WeakPolarHBondContact OD2-CE2 3.34Å; D153-Y158 PolarHBondContact OD2-OH 3.4Å
154C92.4Very high94.3Very high36 Ų3634 Ų3424%0.24318%0.184CC..THydrogen-bonded Turntrans-56.9-23.3-175.961.70000114.9E150 P151E150-C154 WeakPolarHBondContact O-CB 3.38Å; E150-C154 PolarHBondContact O-N 3.45Å; P151-C154 PolarHBondContact O-SG 3.24Å
155R94.2Very high94.2Very high107 Ų10734.3 Ų34.340%0.40419%0.186SC..THydrogen-bonded Turntrans-94.3-3.5176.1-69.5175-165.4163.32.3114.2Q122 D153 D291 F294 E297Q122-R155 PolarHBondContact NE2-O 3.47Å; D153-R155 PolarHBondContact O-N 3.27Å; R155-D291 PolarHBondContact NH1-O 2.8Å; R155-F294 HydrophobicContact CB-CE2 4.14Å; R155-F294 HydrophobicContact CG-CD2 4.27Å; R155-F294 HydrophobicContact CG-CE2 4.31Å; R155-E297 VanDerWaalsContact CG-OE1 3.29Å; R155-E297 WeakPolarHBondContact CG-OE1 3.4Å; R155-E297 WeakPolarHBondContact CG-OE2 3.21Å; R155-E297 IonicContact CZ-OE2 2.78Å; R155-E297 IonicContact NE-OE1 3.75Å; R155-E297 IonicContact NE-OE2 2.74Å; R155-E297 PolarHBondContact NE-OE2 3.36Å; R155-E297 IonicContact NH2-OE2 3.58Å; R155-E297 PolarHBondContact NH2-OE2 3.12Å
156K96.9Very high94.1Very high69 Ų6937.1 Ų37.130%0.320%0.197SC..PPolyproline II helixtrans-86.3133.9176.4-163.1174.1-132.6-174.10109.7P73 V147 G148 D153 Y158P73-K156 VanDerWaalsContact O-CD 3.31Å; P73-K156 WeakPolarHBondContact O-CD 3.39Å; P73-K156 WeakPolarHBondContact O-CE 3.45Å; P73-K156 PolarHBondContact O-NZ 3.1Å; V147-K156 CarbonylContact C-O 3.56Å; V147-K156 VanDerWaalsContact CA-O 3.28Å; V147-K156 WeakPolarHBondContact CA-O 3.27Å; G148-K156 PolarHBondContact N-O 2.97Å; D153-K156 HydrophobicContact CB-CB 4.38Å; D153-K156 WeakPolarHBondContact O-CA 3.12Å; D153-K156 VanDerWaalsContact O-CB 3.24Å; D153-K156 WeakPolarHBondContact O-CB 3.15Å; D153-K156 PolarHBondContact O-N 3.11Å; K156-Y158 HydrophobicContact CB-CE2 4.16Å; K156-Y158 HydrophobicContact CD-CE1 3.79Å; K156-Y158 HydrophobicContact CD-CE2 4.29Å; K156-Y158 HydrophobicContact CG-CE1 4.37Å; K156-Y158 HydrophobicContact CG-CE2 4.29Å
157V97.9Very high94Very high1 Ų141.8 Ų41.81%0.00622%0.219CC..EExtended strand (participates in β ladder)trans-102.5124.2174.6-172.90000108.6H74 L99 Q122 F145 A146H74-V157 PolarHBondContact ND1-O 3.44Å; L99-V157 HydrophobicContact CD1-CG1 4.22Å; Q122-V157 HydrophobicContact CB-CB 4.19Å; Q122-V157 HydrophobicContact CB-CG2 4.43Å; F145-V157 HydrophobicContact CB-CG1 3.82Å; F145-V157 HydrophobicContact CD1-CG1 3.68Å; F145-V157 HydrophobicContact CG-CG1 4.17Å; A146-V157 CarbonylContact O-C 3.49Å; A146-V157 WeakPolarHBondContact O-CA 3.14Å
158Y98.4Very high94Very high11 Ų1142 Ų424%0.04322%0.218CC..EExtended strand (participates in β ladder)trans-102.1139.1178-63.7-81.7000110.8H74 L76 Q93 F145 A146 D153 K156H74-Y158 WeakPolarHBondContact O-CA 3.31Å; L76-Y158 HydrophobicContact CD2-CD1 3.78Å; L76-Y158 HydrophobicContact CD2-CD2 3.89Å; L76-Y158 HydrophobicContact CD2-CE1 4.24Å; L76-Y158 HydrophobicContact CD2-CE2 4.35Å; L76-Y158 HydrophobicContact CD2-CG 3.57Å; L76-Y158 HydrophobicContact CG-CD1 4.33Å; L76-Y158 HydrophobicContact CG-CG 4.26Å; Q93-Y158 PolarHBondContact NE2-OH 3.12Å; F145-Y158 CarbonylContact C-O 3.43Å; F145-Y158 VanDerWaalsContact CA-O 3.25Å; F145-Y158 WeakPolarHBondContact CA-O 3.36Å; A146-Y158 PolarHBondContact N-O 3.32Å; A146-Y158 PolarHBondContact O-N 3.46Å; D153-Y158 WeakPolarHBondContact OD2-CE2 3.34Å; D153-Y158 PolarHBondContact OD2-OH 3.4Å; K156-Y158 HydrophobicContact CB-CE2 4.16Å; K156-Y158 HydrophobicContact CD-CE1 3.79Å; K156-Y158 HydrophobicContact CD-CE2 4.29Å; K156-Y158 HydrophobicContact CG-CE1 4.37Å; K156-Y158 HydrophobicContact CG-CE2 4.29Å
159L98.2Very high93.9Very high5 Ų544.4 Ų44.43%0.02623%0.228CC..EExtended strand (participates in β ladder)trans-85.4134.9170.4-179.463.3000110H74 A126 I130 I140 F145 F162H74-L159 PolarHBondContact O-N 3.46Å; A126-L159 HydrophobicContact CB-CB 4.01Å; A126-L159 HydrophobicContact CB-CD2 4.34Å; I130-L159 HydrophobicContact CG2-CD2 4.39Å; I140-L159 HydrophobicContact CD1-CD1 3.72Å; I140-L159 HydrophobicContact CD1-CD2 4.36Å; F145-L159 HydrophobicContact CD1-CB 4.45Å; F145-L159 HydrophobicContact CD1-CD1 4.25Å; F145-L159 HydrophobicContact CD2-CD1 4.45Å; F145-L159 HydrophobicContact CE1-CB 4.2Å; F145-L159 HydrophobicContact CE1-CD1 3.79Å; F145-L159 HydrophobicContact CE2-CD1 4.01Å; F145-L159 HydrophobicContact CZ-CD1 3.67Å; L159-F162 HydrophobicContact CD2-CE1 3.99Å; L159-F162 HydrophobicContact CG-CE1 3.89Å; L159-F162 HydrophobicContact CG-CZ 4.4Å; L159-F162 VanDerWaalsContact O-CZ 3.3Å; L159-F162 WeakPolarHBondContact O-CZ 3.47Å
160L95.1Very high93.7Very high4 Ų442.1 Ų42.12%0.02123%0.226CC..  trans-126.5164.8-172.7-50.1-175.5000111.8L76 H137 N144 A146 Y320L76-L160 HydrophobicContact CD1-CD2 3.32Å; L76-L160 HydrophobicContact CG-CD2 3.85Å; H137-L160 PolarHBondContact NE2-O 2.87Å; N144-L160 WeakPolarHBondContact O-CB 3.28Å; N144-L160 PolarHBondContact O-N 3.35Å; A146-L160 HydrophobicContact CB-CD1 3.64Å; A146-L160 HydrophobicContact CB-CG 4.35Å; L160-Y320 HydrophobicContact CD1-CE1 4.5Å
161D91.2Very high93.4Very high10 Ų1047.5 Ų47.55%0.05325%0.248CC..  trans59.673.8171.4-165.1-5.4000114.7H137 G163 Q327H137-D161 PolarHBondContact NE2-O 3.26Å; D161-G163 PolarHBondContact O-N 3.09Å; D161-G163 PolarHBondContact OD1-N 3.06Å; D161-Q327 PolarHBondContact OD2-NE2 2.66Å
162F93.9Very high93.3Very high4 Ų448.6 Ų48.62%0.01824%0.241CC..G310 helixtrans-83.216.6174.5-44.7-73.6000113.2E62 V65 L66 L69 I130 H137 L159 L164 S165E62-F162 HydrophobicContact CG-CB 4.24Å; E62-F162 HydrophobicContact CG-CD2 4.07Å; V65-F162 HydrophobicContact CB-CB 3.74Å; V65-F162 HydrophobicContact CB-CD2 4.5Å; V65-F162 HydrophobicContact CB-CG 4.04Å; V65-F162 HydrophobicContact CG1-CB 3.75Å; V65-F162 HydrophobicContact CG1-CD1 3.75Å; V65-F162 HydrophobicContact CG1-CD2 4.3Å; V65-F162 HydrophobicContact CG1-CE1 4.46Å; V65-F162 HydrophobicContact CG1-CG 3.65Å; V65-F162 HydrophobicContact CG2-CB 4.31Å; L66-F162 HydrophobicContact CB-CD2 4.16Å; L66-F162 HydrophobicContact CB-CE2 4.15Å; L66-F162 HydrophobicContact CD1-CE2 3.98Å; L69-F162 HydrophobicContact CD1-CD1 4.27Å; L69-F162 HydrophobicContact CD1-CE1 3.56Å; L69-F162 HydrophobicContact CD1-CE2 4.15Å; L69-F162 HydrophobicContact CD1-CZ 3.5Å; L69-F162 VanDerWaalsContact CD1-CZ 3.5Å; I130-F162 HydrophobicContact CD1-CD1 3.76Å; I130-F162 HydrophobicContact CD1-CE1 4.13Å; H137-F162 AromaticContact CD2-CD1 3.74Å; L159-F162 HydrophobicContact CD2-CE1 3.99Å; L159-F162 HydrophobicContact CG-CE1 3.89Å; L159-F162 HydrophobicContact CG-CZ 4.4Å; L159-F162 VanDerWaalsContact O-CZ 3.3Å; L159-F162 WeakPolarHBondContact O-CZ 3.47Å; F162-L164 PolarHBondContact O-N 3.31Å; F162-S165 VanDerWaalsContact CA-OG 3.31Å; F162-S165 WeakPolarHBondContact CA-OG 3.44Å; F162-S165 WeakPolarHBondContact CB-OG 3.42Å; F162-S165 WeakPolarHBondContact O-CB 3.24Å; F162-S165 PolarHBondContact O-N 2.96Å; F162-S165 PolarHBondContact O-OG 3.35Å
163G89.3Confident92.9Very high9 Ų949.4 Ų49.49%0.09324%0.243CC..G310 helixtrans-64.3-26.1-17600000113.6D161D161-G163 PolarHBondContact O-N 3.09Å; D161-G163 PolarHBondContact OD1-N 3.06Å
164L91.4Very high92.4Very high14 Ų1451.1 Ų51.17%0.07327%0.266CS..G310 helixtrans-97.2-0174.4-67.9-174.1000113.8H137 R138 D139 F162 V330 R332H137-L164 CarbonylContact O-C 3.6Å; R138-L164 PolarHBondContact NE-O 2.98Å; R138-L164 PolarHBondContact NH2-O 2.92Å; D139-L164 HydrophobicContact CB-CB 4.45Å; D139-L164 HydrophobicContact CB-CD1 3.88Å; F162-L164 PolarHBondContact O-N 3.31Å; L164-V330 HydrophobicContact CD1-CG1 3.53Å; L164-R332 HydrophobicContact CD2-CG 4.34Å
165S95Very high92.4Very high6 Ų653.5 Ų53.54%0.04227%0.273CS..  trans-62.5153.1-176.7-59.40000112.7L136 F162L136-S165 CarbonylContact O-C 3.49Å; L136-S165 WeakPolarHBondContact O-CA 3.42Å; L136-S165 VanDerWaalsContact O-CB 3.22Å; L136-S165 WeakPolarHBondContact O-CB 3.29Å; L136-S165 PolarHBondContact O-OG 3.09Å; F162-S165 VanDerWaalsContact CA-OG 3.31Å; F162-S165 WeakPolarHBondContact CA-OG 3.44Å; F162-S165 WeakPolarHBondContact CB-OG 3.42Å; F162-S165 WeakPolarHBondContact O-CB 3.24Å; F162-S165 PolarHBondContact O-N 2.96Å; F162-S165 PolarHBondContact O-OG 3.35Å
166R94.2Very high92.4Very high60 Ų6050.6 Ų50.623%0.22627%0.266CS..EExtended strand (participates in β ladder)trans-147.7138.2-177.3-179.2177.6175.4146.3-8.3111.9F135 L136 Y168 R180 E201F135-R166 CarbonylContact C-O 3.54Å; F135-R166 WeakPolarHBondContact CA-O 3.3Å; L136-R166 PolarHBondContact N-O 3.42Å; L136-R166 PolarHBondContact O-N 3.38Å; R166-Y168 PolarHBondContact O-N 3.42Å; R166-R180 VanDerWaalsContact NH2-NE 3.16Å; R166-E201 IonicContact NH2-OE2 3.77Å
167Q95.3Very high92.3Very high98 Ų9852.1 Ų52.146%0.45827%0.269SS..EExtended strand (participates in β ladder)trans-64128.2170.7-64.8-177.4-64.100111G134 F135 R177G134-Q167 VanDerWaalsContact O-CA 3.3Å; G134-Q167 WeakPolarHBondContact O-CA 3.22Å; F135-Q167 HydrophobicContact CD1-CG 3.95Å; F135-Q167 HydrophobicContact CD2-CG 4.3Å; F135-Q167 HydrophobicContact CE1-CB 4.44Å; F135-Q167 HydrophobicContact CE1-CG 3.34Å; F135-Q167 HydrophobicContact CE2-CG 3.74Å; F135-Q167 HydrophobicContact CG-CG 4.38Å; F135-Q167 HydrophobicContact CZ-CG 3.19Å; Q167-R177 VanDerWaalsContact O-CD 3.28Å; Q167-R177 WeakPolarHBondContact O-CD 3.37Å
168Y95.7Very high92.1Very high13 Ų1357.2 Ų57.25%0.05130%0.302CS..  trans-103.2-14.1175.368.9-90.6000113H131 G134 L136 R166 L176 R177 R204H131-Y168 HydrophobicContact CB-CE1 4.47Å; H131-Y168 WeakPolarHBondContact O-CE1 3.28Å; H131-Y168 PolarHBondContact O-OH 3.35Å; G134-Y168 VanDerWaalsContact C-CD1 3.48Å; G134-Y168 VanDerWaalsContact O-CD1 3.3Å; G134-Y168 WeakPolarHBondContact O-CD1 3.48Å; G134-Y168 PolarHBondContact O-N 2.76Å; L136-Y168 HydrophobicContact CD2-CD1 3.68Å; L136-Y168 HydrophobicContact CD2-CE1 4.3Å; L136-Y168 HydrophobicContact CD2-CG 4.04Å; L136-Y168 HydrophobicContact CG-CD1 3.89Å; L136-Y168 HydrophobicContact CG-CG 4.21Å; R166-Y168 PolarHBondContact O-N 3.42Å; Y168-L176 HydrophobicContact CD2-CD2 3.51Å; Y168-L176 HydrophobicContact CE2-CD2 3.85Å; Y168-R177 WeakPolarHBondContact O-CG 3.3Å; Y168-R177 PolarHBondContact O-N 3.39Å; Y168-R204 HydrophobicContact CE1-CG 4.39Å; Y168-R204 HydrophobicContact CE2-CG 4.28Å
169F93.8Very high91.9Very high57 Ų5760.5 Ų60.525%0.2533%0.325CS..BIsolated β-bridgetrans-83.5150165-65.3-60.5000111.8E175 L176 R177F169-E175 CarbonylContact C-O 3.43Å; F169-E175 VanDerWaalsContact CA-O 3.25Å; F169-E175 WeakPolarHBondContact CA-O 3.43Å; F169-L176 HydrophobicContact CD1-CD2 3.92Å; F169-L176 HydrophobicContact CE1-CD2 3.77Å; F169-R177 VanDerWaalsContact O-CG 3.31Å; F169-R177 WeakPolarHBondContact O-CG 3.11Å
170G89Confident91.6Very high29 Ų2964.7 Ų64.730%0.29934%0.341SS..  trans-81-154.717700000112.1E175G170-E175 PolarHBondContact N-O 3.01Å
171K85.4Confident91.4Very high212 Ų21270 Ų7092%0.92239%0.385SS*.SBendtrans-79-31179.6-68.1-177179.4-1800111.8
172K86.8Confident91.3Very high139 Ų13977.9 Ų77.960%0.60442%0.418SS*.SBendtrans-85.2140.5177.6-59.7177-177.2173.30109.8G174 E175K172-G174 PolarHBondContact O-N 3.08Å; K172-E175 HydrophobicContact CB-CB 3.87Å; K172-E175 WeakPolarHBondContact CB-OE2 3.48Å; K172-E175 WeakPolarHBondContact CG-OE2 3.4Å; K172-E175 WeakPolarHBondContact O-CB 3.22Å; K172-E175 PolarHBondContact O-N 3.4Å
173P83.5Confident91.1Very high134 Ų13478.2 Ų78.287%0.8742%0.421SS*.THydrogen-bonded Turntrans-53.1129.7174.3-25.434.4000111.5E175P173-E175 PolarHBondContact O-N 2.94Å; P173-E175 VanDerWaalsContact O-N 3.16Å
174G82.8Confident91.2Very high56 Ų5679.7 Ų79.758%0.57744%0.437SS*.THydrogen-bonded Turntrans75-9.4178.200000116.3K172 L176K172-G174 PolarHBondContact O-N 3.08Å; G174-L176 PolarHBondContact O-N 3Å
175E92.3Very high91.2Very high85 Ų8579.6 Ų79.640%0.39744%0.435SS..PPolyproline II helixtrans-75119.7178.1179.4-176.6-145.100109.9F169 G170 K172 P173F169-E175 CarbonylContact C-O 3.43Å; F169-E175 VanDerWaalsContact CA-O 3.25Å; F169-E175 WeakPolarHBondContact CA-O 3.43Å; G170-E175 PolarHBondContact N-O 3.01Å; K172-E175 HydrophobicContact CB-CB 3.87Å; K172-E175 WeakPolarHBondContact CB-OE2 3.48Å; K172-E175 WeakPolarHBondContact CG-OE2 3.4Å; K172-E175 WeakPolarHBondContact O-CB 3.22Å; K172-E175 PolarHBondContact O-N 3.4Å; P173-E175 PolarHBondContact O-N 2.94Å; P173-E175 VanDerWaalsContact O-N 3.16Å
176L94.9Very high90.9Very high47 Ų4782.4 Ų82.425%0.24645%0.445CS..BIsolated β-bridgetrans-68.3142.8172.3-66.5177000110.5Y168 F169 G174 A267Y168-L176 HydrophobicContact CD2-CD2 3.51Å; Y168-L176 HydrophobicContact CE2-CD2 3.85Å; F169-L176 HydrophobicContact CD1-CD2 3.92Å; F169-L176 HydrophobicContact CE1-CD2 3.77Å; G174-L176 PolarHBondContact O-N 3Å; L176-A267 HydrophobicContact CD1-CB 4.01Å
177R94.8Very high90.7Very high101 Ų10179.7 Ų79.738%0.38144%0.436SS..PPolyproline II helixtrans-63.3139170.3-64.8-177.670.996.22.9109.1Q167 Y168 F169 Y266Q167-R177 VanDerWaalsContact O-CD 3.28Å; Q167-R177 WeakPolarHBondContact O-CD 3.37Å; Y168-R177 WeakPolarHBondContact O-CG 3.3Å; Y168-R177 PolarHBondContact O-N 3.39Å; F169-R177 VanDerWaalsContact O-CG 3.31Å; F169-R177 WeakPolarHBondContact O-CG 3.11Å; R177-Y266 VanDerWaalsContact O-CE1 3.27Å; R177-Y266 WeakPolarHBondContact O-CE1 3.49Å; R177-Y266 PolarHBondContact O-OH 2.78Å
178P93.6Very high90.6Very high107 Ų10775.7 Ų75.770%0.69542%0.418SS*.PPolyproline II helixtrans-58.6136.2172-2534.1000110.7R180P178-R180 PolarHBondContact O-N 2.92Å
179P93.4Very high90.5Very high81 Ų8176.2 Ų76.253%0.52642%0.421SS..PPolyproline II helixtrans-64.5130.9177.826.6-33.2000109.5E201 Y266P179-E201 HydrophobicContact CB-CB 3.79Å; P179-E201 HydrophobicContact CB-CG 4.4Å; P179-Y266 HydrophobicContact CB-CD1 4.07Å; P179-Y266 HydrophobicContact CB-CE1 4.12Å; P179-Y266 HydrophobicContact CG-CD1 4.23Å; P179-Y266 HydrophobicContact CG-CE1 4.38Å
180R92.7Very high90.6Very high93 Ų9377 Ų7735%0.35142%0.422SS..PPolyproline II helixtrans-69.2139.1173.1-69172.6-71.4146.211.9109.6R166 P178 K182 C183 E201R166-R180 VanDerWaalsContact NH2-NE 3.16Å; P178-R180 PolarHBondContact O-N 2.92Å; R180-K182 PolarHBondContact O-N 2.81Å; R180-C183 PolarHBondContact NH2-SG 2.98Å; R180-E201 IonicContact CZ-OE1 3.69Å; R180-E201 IonicContact CZ-OE2 3.3Å; R180-E201 VanDerWaalsContact CZ-OE2 3.3Å; R180-E201 IonicContact NE-OE1 3.85Å; R180-E201 IonicContact NE-OE2 2.69Å; R180-E201 PolarHBondContact NE-OE2 3.07Å; R180-E201 VanDerWaalsContact NH2-CD 3.3Å; R180-E201 IonicContact NH2-OE1 2.72Å; R180-E201 PolarHBondContact NH2-OE1 3.17Å; R180-E201 IonicContact NH2-OE2 3.1Å; R180-E201 PolarHBondContact NH2-OE2 3.16Å; R180-E201 VanDerWaalsContact NH2-OE2 3.1Å
181A89.9Confident91Very high114 Ų11476.1 Ų76.194%0.94241%0.41SS*.SBendtrans-57.7-34.7-17900000113.4
182K90Very high91.5Very high176 Ų17666.2 Ų66.277%0.76537%0.368SS*.SBendtrans-145.4129.4174.1-169.6167.9-177.1174.40110.6R180R180-K182 PolarHBondContact O-N 2.81Å
183C90.4Very high92.1Very high12 Ų1259.6 Ų59.68%0.08134%0.339CS..  trans-112.8135.5179.1-64.50000110.3R180 G199 E201R180-C183 PolarHBondContact NH2-SG 2.98Å; C183-G199 WeakPolarHBondContact CB-O 3.07Å; C183-G199 PolarHBondContact N-O 3Å; C183-G199 WeakPolarHBondContact O-CA 3.33Å; C183-E201 VanDerWaalsContact SG-CA 3.6Å
184G89.8Confident92.7Very high40 Ų4053.8 Ų53.841%0.41230%0.302SS..  trans-64.8143.6164.700000110.3
185F91.6Very high93.4Very high11 Ų1152.6 Ų52.65%0.04828%0.282CS..  trans-58.6141178.3-168.1-85.9000111.1G187 I189 A192 T196 H197 K231 I331 G333F185-G187 WeakPolarHBondContact CE1-O 3.41Å; F185-I189 HydrophobicContact CE1-CG1 4.03Å; F185-I189 HydrophobicContact CZ-CB 4.49Å; F185-I189 HydrophobicContact CZ-CG1 4.09Å; F185-A192 HydrophobicContact CE1-CB 4.48Å; F185-A192 HydrophobicContact CE2-CB 3.87Å; F185-A192 HydrophobicContact CZ-CB 3.47Å; F185-A192 VanDerWaalsContact CZ-CB 3.47Å; F185-T196 HydrophobicContact CD2-CG2 3.71Å; F185-T196 HydrophobicContact CE2-CG2 3.6Å; F185-T196 HydrophobicContact CG-CG2 4.38Å; F185-T196 HydrophobicContact CZ-CG2 4.14Å; F185-H197 AromaticContact CE2-CE1 3.68Å; F185-H197 AromaticContact CE2-ND1 3.58Å; F185-K231 HydrophobicContact CB-CD 3.89Å; F185-K231 HydrophobicContact CD1-CD 4.49Å; F185-K231 HydrophobicContact CD2-CD 3.41Å; F185-K231 VanDerWaalsContact CD2-CD 3.41Å; F185-K231 HydrophobicContact CD2-CG 3.73Å; F185-K231 HydrophobicContact CE2-CD 3.98Å; F185-K231 HydrophobicContact CE2-CG 3.74Å; F185-K231 HydrophobicContact CG-CD 3.69Å; F185-K231 HydrophobicContact CG-CG 4.27Å; F185-K231 HydrophobicContact CZ-CG 4.33Å; F185-I331 HydrophobicContact CB-CG2 4.36Å; F185-I331 HydrophobicContact CD1-CB 3.85Å; F185-I331 HydrophobicContact CD1-CG2 4.31Å; F185-I331 HydrophobicContact CE1-CB 4.48Å; F185-I331 VanDerWaalsContact O-O 3.06Å; F185-G333 PolarHBondContact O-N 3.46Å
186R88.9Confident93.5Very high66 Ų6648.8 Ų48.825%0.24927%0.265CS..  trans-144133.5176-66.9-63.6-172.8-79.89.9108.4Q202 I331 G333R186-Q202 PolarHBondContact O-NE2 2.94Å; R186-Q202 VanDerWaalsContact O-NE2 3.09Å; R186-I331 WeakPolarHBondContact CA-O 3.47Å; R186-G333 PolarHBondContact NH1-O 3.23Å; R186-G333 PolarHBondContact NH2-O 2.8Å
187G91.2Very high93.6Very high2 Ų247.1 Ų47.12%0.02126%0.256CS..SBendtrans112.2-169.7178.900000113R138 D139 F185 I331R138-G187 WeakPolarHBondContact O-CA 3.39Å; D139-G187 VanDerWaalsContact OD1-CA 3.26Å; D139-G187 WeakPolarHBondContact OD1-CA 3.39Å; F185-G187 WeakPolarHBondContact CE1-O 3.41Å; G187-I331 PolarHBondContact O-N 3.19Å
188T92.6Very high93.6Very high14 Ų1446.8 Ų46.89%0.08626%0.258CS..BIsolated β-bridgetrans-90.6123.5175.7-67.70000112D139 K141 R190 Y191 A192D139-T188 PolarHBondContact OD1-N 2.94Å; D139-T188 PolarHBondContact OD1-OG1 3.02Å; K141-T188 WeakPolarHBondContact CD-OG1 3.45Å; K141-T188 PolarHBondContact NZ-OG1 2.87Å; T188-R190 HydrophobicContact CG2-CB 4.13Å; T188-R190 PolarHBondContact O-N 3.27Å; T188-R190 VanDerWaalsContact O-N 3.1Å; T188-Y191 HydrophobicContact CG2-CD2 3.83Å; T188-Y191 HydrophobicContact CG2-CE2 4.23Å; T188-Y191 PolarHBondContact O-N 3.17Å; T188-Y191 VanDerWaalsContact O-N 3.1Å; T188-A192 WeakPolarHBondContact O-CB 3.4Å; T188-A192 PolarHBondContact O-N 2.93Å
189I94.3Very high93.6Very high24 Ų2442.4 Ų42.412%0.12323%0.232CC..THydrogen-bonded Turntrans-45.2-46.6-178.8-63.9176.9000112.7F185 Y191 H197 S229 K231 V234 K238 I331F185-I189 HydrophobicContact CE1-CG1 4.03Å; F185-I189 HydrophobicContact CZ-CB 4.49Å; F185-I189 HydrophobicContact CZ-CG1 4.09Å; I189-Y191 PolarHBondContact O-N 3.21Å; I189-H197 PolarHBondContact O-CE1 3.23Å; I189-H197 PolarHBondContact O-NE2 2.82Å; I189-S229 WeakPolarHBondContact CD1-O 3.34Å; I189-K231 HydrophobicContact CD1-CB 4.2Å; I189-K231 HydrophobicContact CG1-CB 4.46Å; I189-V234 HydrophobicContact CG2-CB 3.92Å; I189-V234 HydrophobicContact CG2-CG1 4.05Å; I189-V234 HydrophobicContact CG2-CG2 3.71Å; I189-K238 PolarHBondContact O-NZ 2.91Å; I189-K238 VanDerWaalsContact O-NZ 3.08Å; I189-I331 HydrophobicContact CD1-CD1 3.72Å; I189-I331 HydrophobicContact CD1-CG1 4.48Å; I189-I331 HydrophobicContact CG1-CD1 4.18Å
190R95.3Very high93.8Very high73 Ų7343.4 Ų43.428%0.27523%0.228SC..THydrogen-bonded Turntrans-57.6-43.9-175.9-167.4-175.1-58.31744112.8T188 E217 L223 W225 K238T188-R190 HydrophobicContact CG2-CB 4.13Å; T188-R190 PolarHBondContact O-N 3.27Å; T188-R190 VanDerWaalsContact O-N 3.1Å; R190-E217 WeakPolarHBondContact CD-OE1 3.5Å; R190-E217 IonicContact CZ-OE1 3.37Å; R190-E217 IonicContact NE-OE1 3.69Å; R190-E217 IonicContact NH1-OE1 3.8Å; R190-E217 PolarHBondContact NH1-OE1 2.97Å; R190-L223 HydrophobicContact CG-CD1 3.91Å; R190-W225 PolarHBondContact O-NE1 2.82Å; R190-K238 PolarHBondContact O-NZ 2.87Å
191Y97.1Very high93.9Very high11 Ų1139.7 Ų39.74%0.04322%0.215CC..THydrogen-bonded Turntrans-101.5-19.4-174.1-53-69.1000113.5K141 P142 T188 I189 S193 C210 Y213 M214 E217 L223K141-Y191 HydrophobicContact CB-CD2 3.47Å; K141-Y191 VanDerWaalsContact CB-CD2 3.47Å; K141-Y191 HydrophobicContact CB-CE2 3.72Å; K141-Y191 HydrophobicContact CB-CG 4.35Å; P142-Y191 VanDerWaalsContact CD-CE2 3.43Å; P142-Y191 WeakPolarHBondContact CD-OH 3.46Å; P142-Y191 HydrophobicContact CG-CE1 4.4Å; P142-Y191 HydrophobicContact CG-CE2 4.39Å; P142-Y191 WeakPolarHBondContact CG-OH 3.4Å; T188-Y191 HydrophobicContact CG2-CD2 3.83Å; T188-Y191 HydrophobicContact CG2-CE2 4.23Å; T188-Y191 PolarHBondContact O-N 3.17Å; T188-Y191 VanDerWaalsContact O-N 3.1Å; I189-Y191 PolarHBondContact O-N 3.21Å; Y191-S193 PolarHBondContact O-N 3.49Å; Y191-C210 WeakPolarHBondContact O-CA 3.33Å; Y191-C210 PolarHBondContact O-SG 3.28Å; Y191-C210 VanDerWaalsContact O-SG 3.4Å; Y191-Y213 VanDerWaalsContact O-CD2 3.3Å; Y191-Y213 WeakPolarHBondContact O-CD2 3.46Å; Y191-M214 HydrophobicContact CD1-CB 4.47Å; Y191-M214 HydrophobicContact CD1-CG 3.68Å; Y191-M214 HydrophobicContact CE1-CB 4.44Å; Y191-M214 HydrophobicContact CE1-CG 3.83Å; Y191-M214 HydrophobicContact CG-CG 4.17Å; Y191-E217 PolarHBondContact OH-OE1 3.48Å; Y191-E217 PolarHBondContact OH-OE2 3.48Å; Y191-L223 HydrophobicContact CD1-CD1 4.27Å; Y191-L223 HydrophobicContact CE1-CD1 4.13Å
192A96.6Very high94.3Very high4 Ų434.9 Ų34.93%0.03317%0.173CC..  trans-53.8139.3-177.600000113.2F185 T188 T196 H197 K238F185-A192 HydrophobicContact CE1-CB 4.48Å; F185-A192 HydrophobicContact CE2-CB 3.87Å; F185-A192 HydrophobicContact CZ-CB 3.47Å; F185-A192 VanDerWaalsContact CZ-CB 3.47Å; T188-A192 WeakPolarHBondContact O-CB 3.4Å; T188-A192 PolarHBondContact O-N 2.93Å; A192-T196 HydrophobicContact CB-CG2 3.93Å; A192-H197 PolarHBondContact O-NE2 3.26Å; A192-K238 PolarHBondContact O-NZ 3.47Å
193S97.7Very high94.6Very high0 Ų026.7 Ų26.70%014%0.138CC..  trans-61158.7-179.273.10000113.3Y191 N195 T196 H197 D206Y191-S193 PolarHBondContact O-N 3.49Å; S193-N195 PolarHBondContact O-N 2.66Å; S193-T196 WeakPolarHBondContact O-CB 3.37Å; S193-T196 PolarHBondContact O-N 3.41Å; S193-T196 PolarHBondContact OG-N 3.03Å; S193-T196 VanDerWaalsContact OG-N 3.15Å; S193-T196 PolarHBondContact OG-OG1 2.69Å; S193-H197 PolarHBondContact O-CD2 2.75Å; S193-H197 PolarHBondContact O-N 2.73Å; S193-D206 WeakPolarHBondContact CB-OD1 3.49Å; S193-D206 VanDerWaalsContact OG-CG 3.27Å; S193-D206 PolarHBondContact OG-OD1 3.04Å
194P97.2Very high95Very high13 Ų1327.4 Ų27.48%0.08414%0.139CC..Hα-helixtrans-52.9-37.7172.2-26.134.7000113.4T196 H197 Q198 K238P194-T196 VanDerWaalsContact C-N 3.34Å; P194-T196 PolarHBondContact O-N 2.82Å; P194-H197 PolarHBondContact O-N 3.46Å; P194-Q198 WeakPolarHBondContact O-CG 3.49Å; P194-Q198 PolarHBondContact O-N 3.1Å; P194-K238 HydrophobicContact CG-CB 4.33Å
195N96.4Very high95.4Very high31 Ų3125.7 Ų25.717%0.16612%0.12CC..Hα-helixtrans-63.7-39.3177-64.5-40.5000112.3S193 H197 Q198 G199 K200 H205 D206S193-N195 PolarHBondContact O-N 2.66Å; N195-H197 VanDerWaalsContact C-N 3.32Å; N195-H197 PolarHBondContact O-N 2.9Å; N195-Q198 CarbonylContact O-C 3.59Å; N195-Q198 PolarHBondContact O-N 3.15Å; N195-Q198 VanDerWaalsContact O-N 3.16Å; N195-G199 PolarHBondContact O-N 2.94Å; N195-K200 HydrophobicContact CB-CB 4.14Å; N195-K200 HydrophobicContact CB-CD 4.02Å; N195-K200 WeakPolarHBondContact O-CB 3.44Å; N195-K200 PolarHBondContact O-N 2.95Å; N195-K200 VanDerWaalsContact O-N 3.1Å; N195-K200 WeakPolarHBondContact OD1-CD 3.41Å; N195-K200 PolarHBondContact OD1-NZ 3.39Å; N195-H205 PolarHBondContact ND2-NE2 3.42Å; N195-D206 WeakPolarHBondContact CB-OD1 3.37Å; N195-D206 PolarHBondContact ND2-OD1 3.25Å; N195-D206 VanDerWaalsContact ND2-OD1 3.15Å
196T96Very high95.7Very high5 Ų525.2 Ų25.23%0.03112%0.118CC..Hα-helixtrans-63.5-39.5178.6-58.90000111.5F185 A192 S193 P194 Q198 G199 Q202F185-T196 HydrophobicContact CD2-CG2 3.71Å; F185-T196 HydrophobicContact CE2-CG2 3.6Å; F185-T196 HydrophobicContact CG-CG2 4.38Å; F185-T196 HydrophobicContact CZ-CG2 4.14Å; A192-T196 HydrophobicContact CB-CG2 3.93Å; S193-T196 WeakPolarHBondContact O-CB 3.37Å; S193-T196 PolarHBondContact O-N 3.41Å; S193-T196 PolarHBondContact OG-N 3.03Å; S193-T196 VanDerWaalsContact OG-N 3.15Å; S193-T196 PolarHBondContact OG-OG1 2.69Å; P194-T196 VanDerWaalsContact C-N 3.34Å; P194-T196 PolarHBondContact O-N 2.82Å; T196-Q198 VanDerWaalsContact C-N 3.3Å; T196-Q198 PolarHBondContact O-N 2.92Å; T196-G199 PolarHBondContact O-N 3.29Å; T196-Q202 VanDerWaalsContact CG2-NE2 3.28Å; T196-Q202 WeakPolarHBondContact OG1-CG 3.44Å
197H95.8Very high96.2Very high12 Ų1222.1 Ų22.16%0.05611%0.107CC..Hα-helixtrans-64.4-34.8174.3-70.2-71.1000112.6F185 I189 A192 S193 P194 N195 G199 K231 K238F185-H197 AromaticContact CE2-CE1 3.68Å; F185-H197 AromaticContact CE2-ND1 3.58Å; I189-H197 PolarHBondContact O-CE1 3.23Å; I189-H197 PolarHBondContact O-NE2 2.82Å; A192-H197 PolarHBondContact O-NE2 3.26Å; S193-H197 PolarHBondContact O-CD2 2.75Å; S193-H197 PolarHBondContact O-N 2.73Å; P194-H197 PolarHBondContact O-N 3.46Å; N195-H197 VanDerWaalsContact C-N 3.32Å; N195-H197 PolarHBondContact O-N 2.9Å; H197-G199 PolarHBondContact O-N 3.23Å; H197-K231 PolarHBondContact ND1-O 2.87Å; H197-K238 PolarHBondContact NE2-NZ 2.71Å
198Q94.8Very high96.5Very high94 Ų9422.3 Ų22.344%0.43911%0.107SC..THydrogen-bonded Turntrans-77.70.5177.2-66.9169.36.300113.6P194 N195 T196 K200 N239P194-Q198 WeakPolarHBondContact O-CG 3.49Å; P194-Q198 PolarHBondContact O-N 3.1Å; N195-Q198 CarbonylContact O-C 3.59Å; N195-Q198 PolarHBondContact O-N 3.15Å; N195-Q198 VanDerWaalsContact O-N 3.16Å; T196-Q198 VanDerWaalsContact C-N 3.3Å; T196-Q198 PolarHBondContact O-N 2.92Å; Q198-K200 VanDerWaalsContact C-N 3.26Å; Q198-K200 HydrophobicContact CB-CD 4.42Å; Q198-K200 HydrophobicContact CB-CG 4.27Å; Q198-K200 PolarHBondContact O-N 3.21Å; Q198-N239 PolarHBondContact NE2-ND2 3Å
199G94.6Very high96.8Very high14 Ų1422.2 Ų22.214%0.14411%0.105CC..THydrogen-bonded Turntrans68.922.7-179.200000113.8C183 N195 T196 H197C183-G199 WeakPolarHBondContact CB-O 3.07Å; C183-G199 PolarHBondContact N-O 3Å; C183-G199 WeakPolarHBondContact O-CA 3.33Å; N195-G199 PolarHBondContact O-N 2.94Å; T196-G199 PolarHBondContact O-N 3.29Å; H197-G199 PolarHBondContact O-N 3.23Å
200K96Very high97Very high103 Ų10321.5 Ų21.545%0.44810%0.103SC..PPolyproline II helixtrans-74.1159.5172.5-66.7173.9172.2165.70110.5N195 Q198 Q202N195-K200 HydrophobicContact CB-CB 4.14Å; N195-K200 HydrophobicContact CB-CD 4.02Å; N195-K200 WeakPolarHBondContact O-CB 3.44Å; N195-K200 PolarHBondContact O-N 2.95Å; N195-K200 VanDerWaalsContact O-N 3.1Å; N195-K200 WeakPolarHBondContact OD1-CD 3.41Å; N195-K200 PolarHBondContact OD1-NZ 3.39Å; Q198-K200 VanDerWaalsContact C-N 3.26Å; Q198-K200 HydrophobicContact CB-CD 4.42Å; Q198-K200 HydrophobicContact CB-CG 4.27Å; Q198-K200 PolarHBondContact O-N 3.21Å; K200-Q202 PolarHBondContact O-N 3.29Å
201E96Very high97.2Very high14 Ų1418.2 Ų18.27%0.0659%0.091CC..PPolyproline II helixtrans-63.7131.3169.1-174.267.9-90.400109.6R166 P179 R180 C183 Y266R166-E201 IonicContact NH2-OE2 3.77Å; P179-E201 HydrophobicContact CB-CB 3.79Å; P179-E201 HydrophobicContact CB-CG 4.4Å; R180-E201 IonicContact CZ-OE1 3.69Å; R180-E201 IonicContact CZ-OE2 3.3Å; R180-E201 VanDerWaalsContact CZ-OE2 3.3Å; R180-E201 IonicContact NE-OE1 3.85Å; R180-E201 IonicContact NE-OE2 2.69Å; R180-E201 PolarHBondContact NE-OE2 3.07Å; R180-E201 VanDerWaalsContact NH2-CD 3.3Å; R180-E201 IonicContact NH2-OE1 2.72Å; R180-E201 PolarHBondContact NH2-OE1 3.17Å; R180-E201 IonicContact NH2-OE2 3.1Å; R180-E201 PolarHBondContact NH2-OE2 3.16Å; R180-E201 VanDerWaalsContact NH2-OE2 3.1Å; C183-E201 VanDerWaalsContact SG-CA 3.6Å; E201-Y266 HydrophobicContact CB-CD2 4.34Å; E201-Y266 HydrophobicContact CB-CE2 4.2Å; E201-Y266 HydrophobicContact CG-CD2 4.13Å; E201-Y266 HydrophobicContact CG-CE2 3.51Å
202Q97Very high97.3Very high14 Ų1417.9 Ų17.97%0.0659%0.089CC..PPolyproline II helixtrans-74.8133.9178-68.7177.423.400109.6L136 R186 T196 K200 D206 Y266L136-Q202 HydrophobicContact CD1-CB 4.26Å; L136-Q202 WeakPolarHBondContact CD1-O 3.27Å; R186-Q202 PolarHBondContact O-NE2 2.94Å; R186-Q202 VanDerWaalsContact O-NE2 3.09Å; T196-Q202 VanDerWaalsContact CG2-NE2 3.28Å; T196-Q202 WeakPolarHBondContact OG1-CG 3.44Å; K200-Q202 PolarHBondContact O-N 3.29Å; Q202-D206 VanDerWaalsContact CA-OD2 3.22Å; Q202-D206 WeakPolarHBondContact CA-OD2 3.43Å; Q202-D206 HydrophobicContact CB-CB 4.31Å; Q202-D206 HydrophobicContact CG-CB 4.45Å; Q202-Y266 WeakPolarHBondContact O-CE2 3.25Å
203G97.4Very high97.4Very high3 Ų317.8 Ų17.83%0.0319%0.088CC..  trans-112.1-172.1170.900000111.9H205 D206G203-H205 VanDerWaalsContact C-N 3.29Å; G203-H205 PolarHBondContact O-N 3.15Å; G203-D206 PolarHBondContact N-OD2 3.01Å; G203-D206 WeakPolarHBondContact O-CB 3.18Å; G203-D206 PolarHBondContact O-N 3.4Å
204R98.3Very high97.4Very high28 Ų2817.8 Ų17.811%0.1069%0.088CC..Hα-helixtrans-64.8-33.5-177.7-66.8173.5-76-159.7-6.5113H131 L136 Y168 D206 D207 A267 D268 P269 P270H131-R204 HydrophobicContact CB-CG 4.43Å; H131-R204 PolarHBondContact CE1-O 2.64Å; H131-R204 VanDerWaalsContact CE1-O 3.24Å; H131-R204 WeakPolarHBondContact NE2-CA 3.46Å; L136-R204 HydrophobicContact CD2-CB 4.34Å; L136-R204 HydrophobicContact CD2-CG 3.74Å; Y168-R204 HydrophobicContact CE1-CG 4.39Å; Y168-R204 HydrophobicContact CE2-CG 4.28Å; R204-D206 PolarHBondContact O-N 3.18Å; R204-D207 PolarHBondContact O-N 2.76Å; R204-A267 PolarHBondContact NH2-O 2.52Å; R204-A267 VanDerWaalsContact NH2-O 3.17Å; R204-D268 PolarHBondContact NE-O 3.43Å; R204-D268 VanDerWaalsContact NH2-C 3.27Å; R204-D268 PolarHBondContact NH2-O 3.36Å; R204-D268 VanDerWaalsContact NH2-O 3.14Å; R204-P269 VanDerWaalsContact CZ-CA 3.44Å; R204-P269 VanDerWaalsContact NH2-CA 3.3Å; R204-P269 VanDerWaalsContact NH2-N 3.14Å; R204-P270 HydrophobicContact CB-CG 3.76Å
205H98.3Very high97.5Very high3 Ų317.1 Ų17.11%0.0148%0.084CC..Hα-helixtrans-66.9-24.3177.363.7-56.9000112.6N195 G203 L208 W209 L264N195-H205 PolarHBondContact ND2-NE2 3.42Å; G203-H205 VanDerWaalsContact C-N 3.29Å; G203-H205 PolarHBondContact O-N 3.15Å; H205-L208 PolarHBondContact O-N 2.96Å; H205-W209 PolarHBondContact O-N 3.22Å; H205-L264 HydrophobicContact CB-CB 3.66Å; H205-L264 HydrophobicContact CB-CD1 3.91Å; H205-L264 HydrophobicContact CB-CG 4.43Å; H205-L264 PolarHBondContact CD2-O 3.5Å
206D98.6Very high97.5Very high1 Ų115.7 Ų15.71%0.0058%0.076CC..Hα-helixtrans-72-33-180-64.6-59.9000112.2S193 N195 Q202 G203 R204 L208 W209 C210S193-D206 WeakPolarHBondContact CB-OD1 3.49Å; S193-D206 VanDerWaalsContact OG-CG 3.27Å; S193-D206 PolarHBondContact OG-OD1 3.04Å; N195-D206 WeakPolarHBondContact CB-OD1 3.37Å; N195-D206 PolarHBondContact ND2-OD1 3.25Å; N195-D206 VanDerWaalsContact ND2-OD1 3.15Å; Q202-D206 VanDerWaalsContact CA-OD2 3.22Å; Q202-D206 WeakPolarHBondContact CA-OD2 3.43Å; Q202-D206 HydrophobicContact CB-CB 4.31Å; Q202-D206 HydrophobicContact CG-CB 4.45Å; G203-D206 PolarHBondContact N-OD2 3.01Å; G203-D206 WeakPolarHBondContact O-CB 3.18Å; G203-D206 PolarHBondContact O-N 3.4Å; R204-D206 PolarHBondContact O-N 3.18Å; D206-L208 VanDerWaalsContact C-N 3.33Å; D206-W209 WeakPolarHBondContact O-CB 3.4Å; D206-W209 PolarHBondContact O-N 2.76Å; D206-C210 PolarHBondContact O-N 3.2Å; D206-C210 VanDerWaalsContact O-N 3.12Å; D206-C210 PolarHBondContact O-SG 2.79Å
207D98.8Very high97.6Very high1 Ų115.6 Ų15.61%0.0058%0.075CC..Hα-helixtrans-66-37170.7-79.1-25.6000111.1I127 H131 H137 R138 I140 R204 C210 L211I127-D207 HydrophobicContact CD1-CB 4.39Å; I127-D207 HydrophobicContact CG2-CB 4.05Å; H131-D207 IonicContact CE1-OD2 3.26Å; H131-D207 IonicContact NE2-OD2 3.85Å; H131-D207 PolarHBondContact NE2-OD2 3.04Å; H137-D207 PolarHBondContact N-OD2 2.93Å; R138-D207 WeakPolarHBondContact CA-OD1 3.45Å; R138-D207 PolarHBondContact N-OD1 3.3Å; I140-D207 HydrophobicContact CG1-CB 3.93Å; R204-D207 PolarHBondContact O-N 2.76Å; D207-C210 WeakPolarHBondContact O-CB 3.25Å; D207-C210 PolarHBondContact O-N 2.83Å; D207-L211 PolarHBondContact O-N 3.34Å; D207-L211 VanDerWaalsContact O-N 3.09Å
208L98.9Very high97.7Very high6 Ų615 Ų153%0.0317%0.073CC..Hα-helixtrans-70.2-35.9175.2-63.7173.7000112.6V124 I127 H205 D206 C210 L211 F212 L261 P270 Y272 F275V124-L208 HydrophobicContact CG2-CD2 4.25Å; I127-L208 HydrophobicContact CB-CD2 4.45Å; I127-L208 HydrophobicContact CD1-CD2 4.15Å; I127-L208 HydrophobicContact CG2-CD2 3.9Å; I127-L208 HydrophobicContact CG2-CG 4.33Å; H205-L208 PolarHBondContact O-N 2.96Å; D206-L208 VanDerWaalsContact C-N 3.33Å; L208-C210 VanDerWaalsContact C-N 3.3Å; L208-C210 PolarHBondContact O-N 3.11Å; L208-L211 PolarHBondContact O-N 3.11Å; L208-F212 WeakPolarHBondContact O-CB 3.26Å; L208-F212 PolarHBondContact O-N 3.43Å; L208-L261 HydrophobicContact CB-CD2 3.6Å; L208-L261 HydrophobicContact CD1-CD2 4.5Å; L208-P270 HydrophobicContact CD1-CB 3.48Å; L208-P270 VanDerWaalsContact CD1-CB 3.48Å; L208-P270 HydrophobicContact CD1-CG 3.75Å; L208-Y272 HydrophobicContact CD1-CE1 4.29Å; L208-F275 HydrophobicContact CD1-CD2 4.18Å; L208-F275 HydrophobicContact CD1-CE2 3.78Å; L208-F275 HydrophobicContact CD1-CZ 4Å
209W98.6Very high97.7Very high12 Ų1213.5 Ų13.55%0.0457%0.065CC..Hα-helixtrans-58.3-43.6170.2-92.8111.5000111.7H205 D206 F212 Y213 M258 L261 Q262H205-W209 PolarHBondContact O-N 3.22Å; D206-W209 WeakPolarHBondContact O-CB 3.4Å; D206-W209 PolarHBondContact O-N 2.76Å; W209-F212 HydrophobicContact CE3-CD1 4.22Å; W209-F212 HydrophobicContact CZ3-CD1 4.04Å; W209-F212 HydrophobicContact CZ3-CE1 4.4Å; W209-F212 PolarHBondContact O-N 2.85Å; W209-Y213 HydrophobicContact CE3-CD2 4.49Å; W209-Y213 HydrophobicContact CE3-CE1 4.32Å; W209-Y213 AromaticContact CE3-CE2 3.8Å; W209-Y213 HydrophobicContact CE3-CE2 3.8Å; W209-Y213 AromaticContact CE3-CZ 3.69Å; W209-Y213 HydrophobicContact CZ3-CE1 4.23Å; W209-Y213 HydrophobicContact CZ3-CE2 4.42Å; W209-Y213 AromaticContact CZ3-CZ 3.84Å; W209-Y213 WeakPolarHBondContact O-CD2 3.17Å; W209-Y213 PolarHBondContact O-N 3.2Å; W209-M258 HydrophobicContact CH2-CE 4.34Å; W209-M258 HydrophobicContact CH2-CG 4.01Å; W209-M258 HydrophobicContact CZ3-CG 4.35Å; W209-L261 HydrophobicContact CD2-CB 3.99Å; W209-L261 HydrophobicContact CD2-CD1 4.08Å; W209-L261 VanDerWaalsContact CE2-CB 3.47Å; W209-L261 HydrophobicContact CE3-CB 4.48Å; W209-L261 HydrophobicContact CE3-CD1 4.07Å; W209-L261 HydrophobicContact CG-CD1 4.48Å; W209-L261 HydrophobicContact CH2-CB 4.07Å; W209-L261 HydrophobicContact CZ2-CB 3.52Å; W209-L261 HydrophobicContact CZ3-CD1 4.39Å; W209-L261 PolarHBondContact NE1-O 3.21Å; W209-L261 VanDerWaalsContact NE1-O 3.11Å; W209-Q262 HydrophobicContact CH2-CG 3.96Å; W209-Q262 HydrophobicContact CZ2-CG 3.81Å
210C98.6Very high97.8Very high10 Ų1015 Ų157%0.0687%0.068CC..Hα-helixtrans-62.1-46.6177.8-63.50000111.5I140 Y191 D206 D207 L208 F212 Y213 M214I140-C210 HydrophobicContact CB-CB 3.52Å; I140-C210 HydrophobicContact CG2-CB 3.67Å; I140-C210 WeakPolarHBondContact O-CB 3.46Å; Y191-C210 WeakPolarHBondContact O-CA 3.33Å; Y191-C210 PolarHBondContact O-SG 3.28Å; Y191-C210 VanDerWaalsContact O-SG 3.4Å; D206-C210 PolarHBondContact O-N 3.2Å; D206-C210 VanDerWaalsContact O-N 3.12Å; D206-C210 PolarHBondContact O-SG 2.79Å; D207-C210 WeakPolarHBondContact O-CB 3.25Å; D207-C210 PolarHBondContact O-N 2.83Å; L208-C210 VanDerWaalsContact C-N 3.3Å; L208-C210 PolarHBondContact O-N 3.11Å; C210-F212 VanDerWaalsContact C-N 3.34Å; C210-F212 PolarHBondContact O-N 3.26Å; C210-Y213 PolarHBondContact O-N 3.15Å; C210-M214 WeakPolarHBondContact O-CG 3.32Å; C210-M214 PolarHBondContact O-N 2.91Å; C210-M214 VanDerWaalsContact O-N 3.08Å
211L98.8Very high97.7Very high4 Ų410.2 Ų10.22%0.0215%0.048CC..Hα-helixtrans-60-44.4174.9179.663.3000111.2V124 I127 I140 D207 L208 Y213 M214 L215V124-L211 HydrophobicContact CG2-CD2 3.74Å; I127-L211 HydrophobicContact CD1-CB 3.88Å; I127-L211 HydrophobicContact CD1-CD2 3.89Å; I127-L211 HydrophobicContact CD1-CG 4.45Å; I140-L211 HydrophobicContact CG2-CB 3.99Å; D207-L211 PolarHBondContact O-N 3.34Å; D207-L211 VanDerWaalsContact O-N 3.09Å; L208-L211 PolarHBondContact O-N 3.11Å; L211-Y213 PolarHBondContact O-N 3.03Å; L211-M214 HydrophobicContact CD1-CE 4.35Å; L211-M214 HydrophobicContact CD1-SD 4.47Å; L211-M214 VanDerWaalsContact O-CB 3.29Å; L211-M214 WeakPolarHBondContact O-CB 3.04Å; L211-M214 PolarHBondContact O-N 3.17Å; L211-M214 VanDerWaalsContact O-N 3.08Å; L211-L215 HydrophobicContact CD1-CD2 4.45Å; L211-L215 HydrophobicContact CD1-CG 4.34Å; L211-L215 HydrophobicContact CG-CD1 4.32Å; L211-L215 HydrophobicContact CG-CG 4.43Å; L211-L215 WeakPolarHBondContact O-CG 3.42Å; L211-L215 PolarHBondContact O-N 3.46Å
212F98.8Very high97.7Very high3 Ų313.2 Ų13.21%0.0137%0.067CC..Hα-helixtrans-58-46.3179.8-177-113.6000112.4L208 W209 C210 M214 L215 I216 L247 F254 I257 M258 L261L208-F212 WeakPolarHBondContact O-CB 3.26Å; L208-F212 PolarHBondContact O-N 3.43Å; W209-F212 HydrophobicContact CE3-CD1 4.22Å; W209-F212 HydrophobicContact CZ3-CD1 4.04Å; W209-F212 HydrophobicContact CZ3-CE1 4.4Å; W209-F212 PolarHBondContact O-N 2.85Å; C210-F212 VanDerWaalsContact C-N 3.34Å; C210-F212 PolarHBondContact O-N 3.26Å; F212-M214 VanDerWaalsContact C-N 3.33Å; F212-M214 PolarHBondContact O-N 2.7Å; F212-L215 PolarHBondContact O-N 3.02Å; F212-I216 HydrophobicContact CD1-CD1 3.8Å; F212-I216 HydrophobicContact CE1-CD1 3.48Å; F212-I216 VanDerWaalsContact CE1-CD1 3.48Å; F212-I216 HydrophobicContact CE1-CG1 4.45Å; F212-I216 HydrophobicContact CG-CD1 4.45Å; F212-I216 HydrophobicContact CZ-CD1 3.86Å; F212-I216 HydrophobicContact CZ-CG1 4.42Å; F212-I216 WeakPolarHBondContact O-CG1 3.13Å; F212-I216 PolarHBondContact O-N 3.12Å; F212-I216 VanDerWaalsContact O-N 3.09Å; F212-L247 HydrophobicContact CE1-CD2 4.37Å; F212-L247 HydrophobicContact CZ-CD1 4.31Å; F212-L247 HydrophobicContact CZ-CD2 3.84Å; F212-F254 HydrophobicContact CD2-CD1 4.23Å; F212-F254 HydrophobicContact CE2-CB 4.17Å; F212-F254 AromaticContact CE2-CD1 3.56Å; F212-F254 HydrophobicContact CE2-CD1 3.56Å; F212-F254 HydrophobicContact CE2-CE1 4.39Å; F212-F254 HydrophobicContact CE2-CG 4.26Å; F212-F254 HydrophobicContact CZ-CB 4.5Å; F212-F254 HydrophobicContact CZ-CD1 4.31Å; F212-F254 WeakPolarHBondContact CZ-O 3.44Å; F212-I257 HydrophobicContact CD2-CB 4.37Å; F212-I257 HydrophobicContact CD2-CG2 3.44Å; F212-I257 VanDerWaalsContact CD2-CG2 3.44Å; F212-I257 HydrophobicContact CE2-CB 4.06Å; F212-I257 HydrophobicContact CE2-CG2 3.61Å; F212-I257 HydrophobicContact CG-CG2 4.27Å; F212-M258 HydrophobicContact CE1-CB 3.83Å; F212-M258 HydrophobicContact CE1-CG 3.94Å; F212-M258 HydrophobicContact CE1-SD 4.24Å; F212-M258 HydrophobicContact CZ-CB 3.71Å; F212-M258 HydrophobicContact CZ-CG 4.3Å; F212-L261 HydrophobicContact CB-CD1 3.67Å; F212-L261 HydrophobicContact CD1-CD1 4.04Å; F212-L261 HydrophobicContact CD2-CD1 4.34Å; F212-L261 HydrophobicContact CG-CD1 3.77Å
213Y98.6Very high97.6Very high2 Ų212.7 Ų12.71%0.0086%0.064CC..Hα-helixtrans-65-34.7175.2-68.3-49.4000113Y191 W209 C210 L211 L215 I216 E217 W225 K238 L246Y191-Y213 VanDerWaalsContact O-CD2 3.3Å; Y191-Y213 WeakPolarHBondContact O-CD2 3.46Å; W209-Y213 HydrophobicContact CE3-CD2 4.49Å; W209-Y213 HydrophobicContact CE3-CE1 4.32Å; W209-Y213 AromaticContact CE3-CE2 3.8Å; W209-Y213 HydrophobicContact CE3-CE2 3.8Å; W209-Y213 AromaticContact CE3-CZ 3.69Å; W209-Y213 HydrophobicContact CZ3-CE1 4.23Å; W209-Y213 HydrophobicContact CZ3-CE2 4.42Å; W209-Y213 AromaticContact CZ3-CZ 3.84Å; W209-Y213 WeakPolarHBondContact O-CD2 3.17Å; W209-Y213 PolarHBondContact O-N 3.2Å; C210-Y213 PolarHBondContact O-N 3.15Å; L211-Y213 PolarHBondContact O-N 3.03Å; Y213-L215 VanDerWaalsContact C-N 3.35Å; Y213-I216 HydrophobicContact CD1-CD1 4.14Å; Y213-I216 PolarHBondContact O-N 3.47Å; Y213-E217 PolarHBondContact O-N 3.31Å; Y213-W225 AromaticContact CD1-CH2 3.94Å; Y213-W225 HydrophobicContact CD1-CH2 3.94Å; Y213-W225 AromaticContact CD1-CZ2 3.64Å; Y213-W225 HydrophobicContact CD1-CZ2 3.64Å; Y213-W225 AromaticContact CE1-CH2 3.6Å; Y213-W225 HydrophobicContact CE1-CH2 3.6Å; Y213-W225 AromaticContact CE1-CZ2 3.66Å; Y213-W225 HydrophobicContact CE1-CZ2 3.66Å; Y213-W225 HydrophobicContact CG-CZ2 4.19Å; Y213-K238 HydrophobicContact CE2-CD 4.07Å; Y213-L246 HydrophobicContact CE1-CD2 4.45Å
214M97.8Very high97.6Very high0 Ų016.2 Ų16.20%09%0.087CC..Hα-helixtrans-59.2-46171.9-70.2172.346.200111.8I140 K141 P142 F145 Y191 C210 L211 F212 I216 E217 F218I140-M214 HydrophobicContact CG2-SD 3.78Å; K141-M214 WeakPolarHBondContact CA-SD 3.46Å; K141-M214 PolarHBondContact N-SD 3.49Å; P142-M214 HydrophobicContact CB-CE 4.26Å; P142-M214 HydrophobicContact CG-CB 4.45Å; P142-M214 HydrophobicContact CG-CE 3.96Å; P142-M214 HydrophobicContact CG-CG 3.95Å; P142-M214 HydrophobicContact CG-SD 4.38Å; F145-M214 HydrophobicContact CD2-CE 3.73Å; F145-M214 HydrophobicContact CD2-SD 4.38Å; F145-M214 HydrophobicContact CE2-CE 3.91Å; F145-M214 HydrophobicContact CE2-SD 4.13Å; Y191-M214 HydrophobicContact CD1-CB 4.47Å; Y191-M214 HydrophobicContact CD1-CG 3.68Å; Y191-M214 HydrophobicContact CE1-CB 4.44Å; Y191-M214 HydrophobicContact CE1-CG 3.83Å; Y191-M214 HydrophobicContact CG-CG 4.17Å; C210-M214 WeakPolarHBondContact O-CG 3.32Å; C210-M214 PolarHBondContact O-N 2.91Å; C210-M214 VanDerWaalsContact O-N 3.08Å; L211-M214 HydrophobicContact CD1-CE 4.35Å; L211-M214 HydrophobicContact CD1-SD 4.47Å; L211-M214 VanDerWaalsContact O-CB 3.29Å; L211-M214 WeakPolarHBondContact O-CB 3.04Å; L211-M214 PolarHBondContact O-N 3.17Å; L211-M214 VanDerWaalsContact O-N 3.08Å; F212-M214 VanDerWaalsContact C-N 3.33Å; F212-M214 PolarHBondContact O-N 2.7Å; M214-I216 PolarHBondContact O-N 3.48Å; M214-E217 WeakPolarHBondContact O-CB 3.47Å; M214-E217 PolarHBondContact O-N 3.23Å; M214-F218 HydrophobicContact CE-CE2 4.21Å; M214-F218 HydrophobicContact CE-CZ 3.91Å; M214-F218 VanDerWaalsContact O-CG 3.3Å; M214-F218 WeakPolarHBondContact O-CG 3.11Å; M214-F218 PolarHBondContact O-N 3.07Å
215L98.6Very high97.4Very high0 Ų015 Ų150%08%0.082CC..Hα-helixtrans-67.4-35.9-177.3-62.5-179.3000112.5A116 I119 L211 F212 Y213 F218 K219 F254 F279A116-L215 VanDerWaalsContact O-CD2 3.22Å; A116-L215 WeakPolarHBondContact O-CD2 3.33Å; I119-L215 HydrophobicContact CG2-CD2 4.42Å; L211-L215 HydrophobicContact CD1-CD2 4.45Å; L211-L215 HydrophobicContact CD1-CG 4.34Å; L211-L215 HydrophobicContact CG-CD1 4.32Å; L211-L215 HydrophobicContact CG-CG 4.43Å; L211-L215 WeakPolarHBondContact O-CG 3.42Å; L211-L215 PolarHBondContact O-N 3.46Å; F212-L215 PolarHBondContact O-N 3.02Å; Y213-L215 VanDerWaalsContact C-N 3.35Å; L215-F218 HydrophobicContact CD2-CD2 3.91Å; L215-F218 HydrophobicContact CD2-CE2 4.24Å; L215-F218 PolarHBondContact O-N 3.37Å; L215-K219 PolarHBondContact O-N 2.93Å; L215-F254 HydrophobicContact CB-CE1 3.9Å; L215-F254 HydrophobicContact CB-CZ 4.37Å; L215-F279 HydrophobicContact CD1-CE1 3.66Å; L215-F279 HydrophobicContact CD1-CE2 4.25Å; L215-F279 HydrophobicContact CD1-CZ 3.38Å
216I98.4Very high97.1Very high0 Ų017.3 Ų17.30%09%0.093CC..Hα-helixtrans-60.8-48.7170.7-64.7165.1000109.8F212 Y213 M214 F218 K219 Q220 L223 L246 L247 L250F212-I216 HydrophobicContact CD1-CD1 3.8Å; F212-I216 HydrophobicContact CE1-CD1 3.48Å; F212-I216 VanDerWaalsContact CE1-CD1 3.48Å; F212-I216 HydrophobicContact CE1-CG1 4.45Å; F212-I216 HydrophobicContact CG-CD1 4.45Å; F212-I216 HydrophobicContact CZ-CD1 3.86Å; F212-I216 HydrophobicContact CZ-CG1 4.42Å; F212-I216 WeakPolarHBondContact O-CG1 3.13Å; F212-I216 PolarHBondContact O-N 3.12Å; F212-I216 VanDerWaalsContact O-N 3.09Å; Y213-I216 HydrophobicContact CD1-CD1 4.14Å; Y213-I216 PolarHBondContact O-N 3.47Å; M214-I216 PolarHBondContact O-N 3.48Å; I216-F218 VanDerWaalsContact C-N 3.31Å; I216-F218 PolarHBondContact O-N 3.33Å; I216-K219 PolarHBondContact O-N 3.26Å; I216-Q220 HydrophobicContact CG2-CG 4.45Å; I216-Q220 WeakPolarHBondContact O-CB 3.48Å; I216-Q220 PolarHBondContact O-N 3.44Å; I216-L223 HydrophobicContact CB-CD2 4.1Å; I216-L223 HydrophobicContact CG2-CD2 3.78Å; I216-L246 HydrophobicContact CD1-CD1 4.46Å; I216-L246 HydrophobicContact CD1-CD2 4.22Å; I216-L246 HydrophobicContact CD1-CG 4.21Å; I216-L246 HydrophobicContact CG2-CD1 4.1Å; I216-L247 HydrophobicContact CD1-CD2 3.69Å; I216-L247 HydrophobicContact CG1-CD2 3.94Å; I216-L250 HydrophobicContact CB-CD1 4.26Å; I216-L250 HydrophobicContact CG1-CD1 3.73Å; I216-L250 HydrophobicContact CG2-CD1 4.21Å
217E97.5Very high96.7Very high3 Ų327 Ų271%0.01414%0.135CC..Hα-helixtrans-61.4-38.9179.2-158.7-162.7-119.500112K103 R190 Y191 Y213 M214 K219 G221 L223K103-E217 WeakPolarHBondContact CE-OE2 3.3Å; K103-E217 VanDerWaalsContact NZ-CD 3.28Å; K103-E217 IonicContact NZ-OE1 2.71Å; K103-E217 IonicContact NZ-OE2 2.74Å; K103-E217 PolarHBondContact NZ-OE2 3.08Å; R190-E217 WeakPolarHBondContact CD-OE1 3.5Å; R190-E217 IonicContact CZ-OE1 3.37Å; R190-E217 IonicContact NE-OE1 3.69Å; R190-E217 IonicContact NH1-OE1 3.8Å; R190-E217 PolarHBondContact NH1-OE1 2.97Å; Y191-E217 PolarHBondContact OH-OE1 3.48Å; Y191-E217 PolarHBondContact OH-OE2 3.48Å; Y213-E217 PolarHBondContact O-N 3.31Å; M214-E217 WeakPolarHBondContact O-CB 3.47Å; M214-E217 PolarHBondContact O-N 3.23Å; E217-K219 PolarHBondContact O-N 3.32Å; E217-G221 CarbonylContact O-C 3.54Å; E217-G221 WeakPolarHBondContact O-CA 3.42Å; E217-G221 PolarHBondContact O-N 3.37Å; E217-L223 HydrophobicContact CB-CD1 4.13Å; E217-L223 HydrophobicContact CB-CG 3.9Å; E217-L223 HydrophobicContact CG-CD1 4.39Å; E217-L223 HydrophobicContact CG-CG 4.06Å
218F97.4Very high96.3Very high0 Ų028.5 Ų28.50%014%0.144CC..Hα-helixtrans-58.8-46.4176.3-71.1-15000111.7L99 K103 K110 L111 A116 I119 P142 M214 L215 I216L99-F218 HydrophobicContact CB-CZ 3.92Å; L99-F218 HydrophobicContact CD1-CE2 4.15Å; L99-F218 HydrophobicContact CD1-CZ 4Å; K103-F218 HydrophobicContact CB-CD1 4.31Å; K103-F218 HydrophobicContact CB-CE1 4.25Å; K103-F218 HydrophobicContact CD-CD1 4.2Å; K103-F218 HydrophobicContact CD-CE1 4.48Å; K103-F218 HydrophobicContact CG-CD1 3.88Å; K103-F218 HydrophobicContact CG-CE1 4.26Å; K110-F218 CarbonylContact C-O 3.17Å; K110-F218 WeakPolarHBondContact CA-O 3.49Å; L111-F218 HydrophobicContact CB-CB 4.17Å; L111-F218 HydrophobicContact CD1-CB 4.05Å; L111-F218 HydrophobicContact CD1-CD1 3.93Å; L111-F218 HydrophobicContact CD1-CD2 3.92Å; L111-F218 HydrophobicContact CD1-CE1 4.3Å; L111-F218 HydrophobicContact CD1-CE2 4.32Å; L111-F218 HydrophobicContact CD1-CG 3.71Å; L111-F218 HydrophobicContact CD1-CZ 4.49Å; L111-F218 HydrophobicContact CG-CB 4.26Å; L111-F218 HydrophobicContact CG-CG 4.37Å; L111-F218 PolarHBondContact N-O 3.35Å; A116-F218 HydrophobicContact CB-CB 4.25Å; I119-F218 HydrophobicContact CD1-CD2 4.37Å; I119-F218 HydrophobicContact CD1-CE2 4.11Å; I119-F218 HydrophobicContact CG2-CE2 4Å; P142-F218 HydrophobicContact CB-CE1 3.81Å; P142-F218 HydrophobicContact CB-CZ 3.88Å; P142-F218 HydrophobicContact CG-CE1 3.66Å; P142-F218 HydrophobicContact CG-CZ 3.92Å; M214-F218 HydrophobicContact CE-CE2 4.21Å; M214-F218 HydrophobicContact CE-CZ 3.91Å; M214-F218 VanDerWaalsContact O-CG 3.3Å; M214-F218 WeakPolarHBondContact O-CG 3.11Å; M214-F218 PolarHBondContact O-N 3.07Å; L215-F218 HydrophobicContact CD2-CD2 3.91Å; L215-F218 HydrophobicContact CD2-CE2 4.24Å; L215-F218 PolarHBondContact O-N 3.37Å; I216-F218 VanDerWaalsContact C-N 3.31Å; I216-F218 PolarHBondContact O-N 3.33Å
219K95.5Very high95.7Very high63 Ų6333.3 Ų33.327%0.27418%0.178SC..Hα-helixtrans-75.8-37.6-177.9-174.568-168.579.50113.5C113 L215 I216 E217 L250C113-K219 HydrophobicContact CB-CD 4.03Å; L215-K219 PolarHBondContact O-N 2.93Å; I216-K219 PolarHBondContact O-N 3.26Å; E217-K219 PolarHBondContact O-N 3.32Å; K219-L250 HydrophobicContact CB-CD2 3.7Å; K219-L250 HydrophobicContact CG-CD2 3.73Å
220Q95.3Very high95.4Very high44 Ų4436.5 Ų36.521%0.20620%0.197CC..Hα-helixtrans-94-12.9-173.2-64-176.915.300113.1K110 I216 V222 L246K110-Q220 VanDerWaalsContact CE-O 3.31Å; K110-Q220 WeakPolarHBondContact CE-O 3.33Å; I216-Q220 HydrophobicContact CG2-CG 4.45Å; I216-Q220 WeakPolarHBondContact O-CB 3.48Å; I216-Q220 PolarHBondContact O-N 3.44Å; Q220-V222 PolarHBondContact O-N 3.4Å; Q220-V222 VanDerWaalsContact O-N 3.13Å; Q220-L246 PolarHBondContact NE2-O 2.92Å
221G94.7Very high95.1Very high3 Ų339 Ų393%0.03121%0.206CC..SBendtrans81.3-30.6-177.200000112.9K103 Q109 E217K103-G221 WeakPolarHBondContact CE-O 3.29Å; K103-G221 PolarHBondContact NZ-O 3.33Å; Q109-G221 WeakPolarHBondContact O-CA 3.48Å; E217-G221 CarbonylContact O-C 3.54Å; E217-G221 WeakPolarHBondContact O-CA 3.42Å; E217-G221 PolarHBondContact O-N 3.37Å
222V95Very high94.8Very high77 Ų7743.7 Ų43.747%0.46723%0.231SC..SBendtrans-139.4153.3-179.4-60.40000111.9Q220 Q226Q220-V222 PolarHBondContact O-N 3.4Å; Q220-V222 VanDerWaalsContact O-N 3.13Å; V222-Q226 VanDerWaalsContact CA-OE1 3.23Å; V222-Q226 VanDerWaalsContact CB-OE1 3.25Å; V222-Q226 VanDerWaalsContact CG1-OE1 3.3Å
223L96.3Very high94.7Very high3 Ų347.6 Ų47.62%0.01625%0.25CC..  trans-96.8147.5163.1-74.1164.9000109.8R190 Y191 I216 E217 W225 Q226R190-L223 HydrophobicContact CG-CD1 3.91Å; Y191-L223 HydrophobicContact CD1-CD1 4.27Å; Y191-L223 HydrophobicContact CE1-CD1 4.13Å; I216-L223 HydrophobicContact CB-CD2 4.1Å; I216-L223 HydrophobicContact CG2-CD2 3.78Å; E217-L223 HydrophobicContact CB-CD1 4.13Å; E217-L223 HydrophobicContact CB-CG 3.9Å; E217-L223 HydrophobicContact CG-CD1 4.39Å; E217-L223 HydrophobicContact CG-CG 4.06Å; L223-W225 HydrophobicContact CB-CZ2 4.4Å; L223-W225 HydrophobicContact CD1-CZ2 4.27Å; L223-W225 HydrophobicContact CD2-CH2 4.42Å; L223-W225 HydrophobicContact CD2-CZ2 3.95Å; L223-W225 HydrophobicContact CG-CZ2 4.44Å; L223-W225 PolarHBondContact O-N 3.1Å; L223-Q226 WeakPolarHBondContact O-CB 3.25Å; L223-Q226 PolarHBondContact O-N 3.31Å
224P96.2Very high94.6Very high77 Ų7747.6 Ų47.650%0.525%0.25SC..THydrogen-bonded Turntrans-56-25.2-179-30.138.3000115I241 L246P224-I241 HydrophobicContact CB-CD1 3.86Å; P224-I241 HydrophobicContact CG-CD1 3.57Å; P224-L246 HydrophobicContact CG-CD1 4.09Å
225W96Very high94.6Very high2 Ų247.8 Ų47.81%0.00825%0.252CS..THydrogen-bonded Turntrans-102.814.817852.678.4000114R190 Y213 L223 K227 V228 V234 L237 K238 I241 L246R190-W225 PolarHBondContact O-NE1 2.82Å; Y213-W225 AromaticContact CD1-CH2 3.94Å; Y213-W225 HydrophobicContact CD1-CH2 3.94Å; Y213-W225 AromaticContact CD1-CZ2 3.64Å; Y213-W225 HydrophobicContact CD1-CZ2 3.64Å; Y213-W225 AromaticContact CE1-CH2 3.6Å; Y213-W225 HydrophobicContact CE1-CH2 3.6Å; Y213-W225 AromaticContact CE1-CZ2 3.66Å; Y213-W225 HydrophobicContact CE1-CZ2 3.66Å; Y213-W225 HydrophobicContact CG-CZ2 4.19Å; L223-W225 HydrophobicContact CB-CZ2 4.4Å; L223-W225 HydrophobicContact CD1-CZ2 4.27Å; L223-W225 HydrophobicContact CD2-CH2 4.42Å; L223-W225 HydrophobicContact CD2-CZ2 3.95Å; L223-W225 HydrophobicContact CG-CZ2 4.44Å; L223-W225 PolarHBondContact O-N 3.1Å; W225-K227 VanDerWaalsContact C-N 3.25Å; W225-K227 PolarHBondContact O-N 3.4Å; W225-V228 HydrophobicContact CB-CB 4.48Å; W225-V228 HydrophobicContact CB-CG2 4.43Å; W225-V228 PolarHBondContact O-N 3.08Å; W225-V228 VanDerWaalsContact O-N 3.08Å; W225-V234 HydrophobicContact CB-CG1 4.26Å; W225-V234 HydrophobicContact CB-CG2 4.24Å; W225-V234 HydrophobicContact CG-CG1 3.89Å; W225-L237 HydrophobicContact CB-CD1 3.83Å; W225-L237 HydrophobicContact CE3-CB 4.29Å; W225-K238 HydrophobicContact CD2-CG 4.15Å; W225-K238 HydrophobicContact CE3-CG 4.13Å; W225-K238 HydrophobicContact CH2-CG 3.81Å; W225-K238 HydrophobicContact CZ2-CD 4.28Å; W225-K238 HydrophobicContact CZ2-CG 3.81Å; W225-K238 HydrophobicContact CZ3-CG 3.96Å; W225-K238 VanDerWaalsContact NE1-CE 3.32Å; W225-I241 HydrophobicContact CZ3-CD1 4.09Å; W225-I241 HydrophobicContact CZ3-CG2 4.26Å; W225-L246 HydrophobicContact CH2-CD1 4.2Å; W225-L246 HydrophobicContact CH2-CD2 4.26Å; W225-L246 HydrophobicContact CZ3-CD1 4.43Å
226Q90.8Very high94.5Very high53 Ų5354.3 Ų54.325%0.24828%0.277CS..THydrogen-bonded Turntrans-57.8-34.8-175.1173.8169.6-29.300114V222 L223V222-Q226 VanDerWaalsContact CA-OE1 3.23Å; V222-Q226 VanDerWaalsContact CB-OE1 3.25Å; V222-Q226 VanDerWaalsContact CG1-OE1 3.3Å; L223-Q226 WeakPolarHBondContact O-CB 3.25Å; L223-Q226 PolarHBondContact O-N 3.31Å
227K89.7Confident94.5Very high203 Ų20356.4 Ų56.488%0.88329%0.288SS*.THydrogen-bonded Turntrans-91.40.8-179-62.5-175.2-179.4179.30113.5W225W225-K227 VanDerWaalsContact C-N 3.25Å; W225-K227 PolarHBondContact O-N 3.4Å
228V91.8Very high94.5Very high33 Ų3356.7 Ų56.720%0.229%0.289CS..  trans-93.8117-179-175.90000108.9W225 E233 V234 L237W225-V228 HydrophobicContact CB-CB 4.48Å; W225-V228 HydrophobicContact CB-CG2 4.43Å; W225-V228 PolarHBondContact O-N 3.08Å; W225-V228 VanDerWaalsContact O-N 3.08Å; V228-E233 HydrophobicContact CG1-CB 3.88Å; V228-E233 HydrophobicContact CG1-CG 3.81Å; V228-E233 WeakPolarHBondContact CG1-OE2 3.45Å; V228-V234 HydrophobicContact CB-CG2 3.78Å; V228-V234 HydrophobicContact CG1-CG2 3.68Å; V228-V234 WeakPolarHBondContact O-CG2 3.49Å; V228-L237 HydrophobicContact CG2-CD1 4.01Å
229S86.4Confident94.4Very high107 Ų10760.9 Ų60.975%0.74831%0.311SS*.  trans-91.7-21.2179.357.10000113.2I189 K231I189-S229 WeakPolarHBondContact CD1-O 3.34Å; S229-K231 PolarHBondContact O-N 3.36Å
230N91.4Very high94.4Very high80 Ų8062.1 Ų62.143%0.42832%0.324SS..  trans-72.4115178.3-175.7-57.8000110.5D232 E233 V234N230-D232 PolarHBondContact O-N 3.1Å; N230-D232 PolarHBondContact OD1-N 3.01Å; N230-E233 HydrophobicContact CB-CB 3.87Å; N230-E233 PolarHBondContact O-N 2.92Å; N230-E233 PolarHBondContact OD1-N 3.04Å; N230-V234 WeakPolarHBondContact O-CG2 3.3Å; N230-V234 PolarHBondContact O-N 3.21Å
231K91.8Very high94.5Very high62 Ų6261.7 Ų61.727%0.2732%0.323SS..Hα-helixtrans-55.6-45.5-179.3-178.3-153.676.2-175.80112.9F185 I189 H197 S229 E233 V234 G235F185-K231 HydrophobicContact CB-CD 3.89Å; F185-K231 HydrophobicContact CD1-CD 4.49Å; F185-K231 HydrophobicContact CD2-CD 3.41Å; F185-K231 VanDerWaalsContact CD2-CD 3.41Å; F185-K231 HydrophobicContact CD2-CG 3.73Å; F185-K231 HydrophobicContact CE2-CD 3.98Å; F185-K231 HydrophobicContact CE2-CG 3.74Å; F185-K231 HydrophobicContact CG-CD 3.69Å; F185-K231 HydrophobicContact CG-CG 4.27Å; F185-K231 HydrophobicContact CZ-CG 4.33Å; I189-K231 HydrophobicContact CD1-CB 4.2Å; I189-K231 HydrophobicContact CG1-CB 4.46Å; H197-K231 PolarHBondContact ND1-O 2.87Å; S229-K231 PolarHBondContact O-N 3.36Å; K231-E233 VanDerWaalsContact C-N 3.34Å; K231-V234 PolarHBondContact O-N 2.85Å; K231-G235 PolarHBondContact O-N 3.19Å
232D94Very high94.5Very high102 Ų10265.7 Ų65.755%0.54534%0.344SS..Hα-helixtrans-70.3-35.1-176.9-58.5-38.8000110.9N230 G235 R236N230-D232 PolarHBondContact O-N 3.1Å; N230-D232 PolarHBondContact OD1-N 3.01Å; D232-G235 PolarHBondContact O-N 3.33Å; D232-R236 PolarHBondContact O-N 3.31Å
233E96.3Very high94.5Very high86 Ų8664.2 Ų64.240%0.40234%0.337SS..Hα-helixtrans-66.2-44.1173.5-170.8177-176.400112.4V228 N230 K231 G235 R236 L237V228-E233 HydrophobicContact CG1-CB 3.88Å; V228-E233 HydrophobicContact CG1-CG 3.81Å; V228-E233 WeakPolarHBondContact CG1-OE2 3.45Å; N230-E233 HydrophobicContact CB-CB 3.87Å; N230-E233 PolarHBondContact O-N 2.92Å; N230-E233 PolarHBondContact OD1-N 3.04Å; K231-E233 VanDerWaalsContact C-N 3.34Å; E233-G235 VanDerWaalsContact C-N 3.29Å; E233-G235 PolarHBondContact O-N 3.36Å; E233-R236 WeakPolarHBondContact O-CB 3.28Å; E233-R236 PolarHBondContact O-N 2.74Å; E233-L237 WeakPolarHBondContact O-CG 3.27Å; E233-L237 PolarHBondContact O-N 3.2Å
234V96.6Very high94.4Very high1 Ų171.4 Ų71.41%0.00637%0.368CS..Hα-helixtrans-59.8-42.9173.2174.60000110.7I189 W225 V228 N230 K231 R236 L237 K238I189-V234 HydrophobicContact CG2-CB 3.92Å; I189-V234 HydrophobicContact CG2-CG1 4.05Å; I189-V234 HydrophobicContact CG2-CG2 3.71Å; W225-V234 HydrophobicContact CB-CG1 4.26Å; W225-V234 HydrophobicContact CB-CG2 4.24Å; W225-V234 HydrophobicContact CG-CG1 3.89Å; V228-V234 HydrophobicContact CB-CG2 3.78Å; V228-V234 HydrophobicContact CG1-CG2 3.68Å; V228-V234 WeakPolarHBondContact O-CG2 3.49Å; N230-V234 WeakPolarHBondContact O-CG2 3.3Å; N230-V234 PolarHBondContact O-N 3.21Å; K231-V234 PolarHBondContact O-N 2.85Å; V234-R236 VanDerWaalsContact C-N 3.34Å; V234-R236 PolarHBondContact O-N 2.8Å; V234-L237 PolarHBondContact O-N 3.17Å; V234-K238 HydrophobicContact CG1-CD 4.1Å; V234-K238 WeakPolarHBondContact O-CG 3.01Å; V234-K238 PolarHBondContact O-N 2.9Å
235G97Very high94.4Very high5 Ų574.4 Ų74.45%0.05238%0.375CS..Hα-helixtrans-58.6-43.4174.300000112.8K231 D232 E233 K238 N239K231-G235 PolarHBondContact O-N 3.19Å; D232-G235 PolarHBondContact O-N 3.33Å; E233-G235 VanDerWaalsContact C-N 3.29Å; E233-G235 PolarHBondContact O-N 3.36Å; G235-K238 PolarHBondContact O-N 2.88Å; G235-N239 PolarHBondContact O-N 2.86Å; G235-N239 PolarHBondContact O-ND2 3.13Å
236R97.4Very high94.4Very high136 Ų13674.4 Ų74.451%0.51338%0.375SS..Hα-helixtrans-62.8-49.8175.9-171.7-173.66579.30.3111.2D232 E233 V234 K238 N239 T240D232-R236 PolarHBondContact O-N 3.31Å; E233-R236 WeakPolarHBondContact O-CB 3.28Å; E233-R236 PolarHBondContact O-N 2.74Å; V234-R236 VanDerWaalsContact C-N 3.34Å; V234-R236 PolarHBondContact O-N 2.8Å; R236-K238 VanDerWaalsContact C-N 3.29Å; R236-K238 PolarHBondContact O-N 3.21Å; R236-N239 PolarHBondContact O-N 2.91Å; R236-T240 HydrophobicContact CG-CG2 4.35Å; R236-T240 PolarHBondContact O-N 3.49Å; R236-T240 PolarHBondContact O-OG1 3.08Å; R236-T240 VanDerWaalsContact O-OG1 3.12Å
237L97.2Very high94.8Very high44 Ų4471.9 Ų71.923%0.2336%0.363CS..Hα-helixtrans-56.1-42.9179-72.9171000111.9W225 V228 E233 V234 N239 T240 I241W225-L237 HydrophobicContact CB-CD1 3.83Å; W225-L237 HydrophobicContact CE3-CB 4.29Å; V228-L237 HydrophobicContact CG2-CD1 4.01Å; E233-L237 WeakPolarHBondContact O-CG 3.27Å; E233-L237 PolarHBondContact O-N 3.2Å; V234-L237 PolarHBondContact O-N 3.17Å; L237-N239 VanDerWaalsContact C-N 3.25Å; L237-N239 PolarHBondContact O-N 2.98Å; L237-T240 PolarHBondContact O-N 2.94Å; L237-I241 VanDerWaalsContact O-CB 3.29Å; L237-I241 WeakPolarHBondContact O-CB 3.49Å; L237-I241 WeakPolarHBondContact O-CG2 3.4Å; L237-I241 PolarHBondContact O-N 3.33Å
238K97.3Very high94.9Very high10 Ų1065.6 Ų65.64%0.04335%0.349CS..Hα-helixtrans-61.9-29.7177-75.5173.5173.2176.30114I189 R190 A192 P194 H197 Y213 W225 V234 G235 R236I189-K238 PolarHBondContact O-NZ 2.91Å; I189-K238 VanDerWaalsContact O-NZ 3.08Å; R190-K238 PolarHBondContact O-NZ 2.87Å; A192-K238 PolarHBondContact O-NZ 3.47Å; P194-K238 HydrophobicContact CG-CB 4.33Å; H197-K238 PolarHBondContact NE2-NZ 2.71Å; Y213-K238 HydrophobicContact CE2-CD 4.07Å; W225-K238 HydrophobicContact CD2-CG 4.15Å; W225-K238 HydrophobicContact CE3-CG 4.13Å; W225-K238 HydrophobicContact CH2-CG 3.81Å; W225-K238 HydrophobicContact CZ2-CD 4.28Å; W225-K238 HydrophobicContact CZ2-CG 3.81Å; W225-K238 HydrophobicContact CZ3-CG 3.96Å; W225-K238 VanDerWaalsContact NE1-CE 3.32Å; V234-K238 HydrophobicContact CG1-CD 4.1Å; V234-K238 WeakPolarHBondContact O-CG 3.01Å; V234-K238 PolarHBondContact O-N 2.9Å; G235-K238 PolarHBondContact O-N 2.88Å; R236-K238 VanDerWaalsContact C-N 3.29Å; R236-K238 PolarHBondContact O-N 3.21Å
239N95.9Very high94.8Very high87 Ų8770 Ų7047%0.46537%0.372SS..Hα-helixtrans-87.7-22.8178.7-72.6-62.7000113.2Q198 G235 R236 L237Q198-N239 PolarHBondContact NE2-ND2 3Å; G235-N239 PolarHBondContact O-N 2.86Å; G235-N239 PolarHBondContact O-ND2 3.13Å; R236-N239 PolarHBondContact O-N 2.91Å; L237-N239 VanDerWaalsContact C-N 3.25Å; L237-N239 PolarHBondContact O-N 2.98Å
240T95.9Very high95.3Very high90 Ų9065.6 Ų65.655%0.55234%0.34SS*.Hα-helixtrans-108.3-14.9-173.960.30000114.6R236 L237R236-T240 HydrophobicContact CG-CG2 4.35Å; R236-T240 PolarHBondContact O-N 3.49Å; R236-T240 PolarHBondContact O-OG1 3.08Å; R236-T240 VanDerWaalsContact O-OG1 3.12Å; L237-T240 PolarHBondContact O-N 2.94Å
241I95.8Very high95.6Very high35 Ų3562.2 Ų62.218%0.17932%0.322CS..SBendtrans-63.3138.2-179.5-168.4164.3000111.3P224 W225 L237 S243 L246P224-I241 HydrophobicContact CB-CD1 3.86Å; P224-I241 HydrophobicContact CG-CD1 3.57Å; W225-I241 HydrophobicContact CZ3-CD1 4.09Å; W225-I241 HydrophobicContact CZ3-CG2 4.26Å; L237-I241 VanDerWaalsContact O-CB 3.29Å; L237-I241 WeakPolarHBondContact O-CB 3.49Å; L237-I241 WeakPolarHBondContact O-CG2 3.4Å; L237-I241 PolarHBondContact O-N 3.33Å; I241-S243 PolarHBondContact O-N 2.93Å; I241-L246 HydrophobicContact CD1-CB 4.07Å; I241-L246 HydrophobicContact CD1-CD1 4.13Å; I241-L246 HydrophobicContact CG1-CB 4.32Å; I241-L246 HydrophobicContact CG2-CD2 4.19Å
242D95.9Very high95.9Very high86 Ų8663 Ų6346%0.4634%0.335SS..  trans-66.3118.3171.7-177.5-3000109.6K244 Q245 L246D242-K244 PolarHBondContact O-N 3.23Å; D242-K244 WeakPolarHBondContact OD1-CB 3.22Å; D242-K244 PolarHBondContact OD1-N 3.11Å; D242-Q245 HydrophobicContact CB-CB 4.03Å; D242-Q245 WeakPolarHBondContact O-CB 3.26Å; D242-Q245 PolarHBondContact O-N 2.89Å; D242-L246 PolarHBondContact O-N 3.21Å
243S95.1Very high96.1Very high46 Ų4658.8 Ų58.832%0.32231%0.312SS..Hα-helixtrans-55.5-32175.6640000113.3I241 L247I241-S243 PolarHBondContact O-N 2.93Å; S243-L247 VanDerWaalsContact O-CB 3.31Å; S243-L247 WeakPolarHBondContact O-CB 3.45Å; S243-L247 VanDerWaalsContact O-CG 3.29Å; S243-L247 WeakPolarHBondContact O-CG 3.49Å; S243-L247 PolarHBondContact O-N 2.88Å; S243-L247 VanDerWaalsContact O-N 3.08Å
244K94.8Very high96.2Very high155 Ų15554.8 Ų54.867%0.67429%0.294SS*.Hα-helixtrans-68.5-40.5176.1-65.9-176.7-179.5178.90111.2D242 L247 A248D242-K244 PolarHBondContact O-N 3.23Å; D242-K244 WeakPolarHBondContact OD1-CB 3.22Å; D242-K244 PolarHBondContact OD1-N 3.11Å; K244-L247 PolarHBondContact O-N 2.79Å; K244-A248 VanDerWaalsContact O-CA 3.32Å; K244-A248 WeakPolarHBondContact O-CA 3.44Å; K244-A248 WeakPolarHBondContact O-CB 3.1Å; K244-A248 PolarHBondContact O-N 2.63Å
245Q95.1Very high96.3Very high139 Ų13957.1 Ų57.165%0.6531%0.305SS*.Hα-helixtrans-68.3-44.8175.8-172.9-177.211.700111.3D242 L247D242-Q245 HydrophobicContact CB-CB 4.03Å; D242-Q245 WeakPolarHBondContact O-CB 3.26Å; D242-Q245 PolarHBondContact O-N 2.89Å; Q245-L247 PolarHBondContact O-N 2.89Å
246L97Very high96.4Very high2 Ų259.5 Ų59.51%0.0132%0.316CS..Hα-helixtrans-61.6-29.9179179.660.8000112.2Y213 I216 Q220 P224 W225 I241 D242 M258Y213-L246 HydrophobicContact CE1-CD2 4.45Å; I216-L246 HydrophobicContact CD1-CD1 4.46Å; I216-L246 HydrophobicContact CD1-CD2 4.22Å; I216-L246 HydrophobicContact CD1-CG 4.21Å; I216-L246 HydrophobicContact CG2-CD1 4.1Å; Q220-L246 PolarHBondContact NE2-O 2.92Å; P224-L246 HydrophobicContact CG-CD1 4.09Å; W225-L246 HydrophobicContact CH2-CD1 4.2Å; W225-L246 HydrophobicContact CH2-CD2 4.26Å; W225-L246 HydrophobicContact CZ3-CD1 4.43Å; I241-L246 HydrophobicContact CD1-CB 4.07Å; I241-L246 HydrophobicContact CD1-CD1 4.13Å; I241-L246 HydrophobicContact CG1-CB 4.32Å; I241-L246 HydrophobicContact CG2-CD2 4.19Å; D242-L246 PolarHBondContact O-N 3.21Å; L246-M258 HydrophobicContact CD2-CE 4.22Å
247L97.9Very high96.4Very high0 Ų053.1 Ų53.10%029%0.292CS..THydrogen-bonded Turntrans-113.512.7-173.2-55.6179.3000114.1F212 I216 S243 K244 Q245 D249 L250 F254 H255 M258F212-L247 HydrophobicContact CE1-CD2 4.37Å; F212-L247 HydrophobicContact CZ-CD1 4.31Å; F212-L247 HydrophobicContact CZ-CD2 3.84Å; I216-L247 HydrophobicContact CD1-CD2 3.69Å; I216-L247 HydrophobicContact CG1-CD2 3.94Å; S243-L247 VanDerWaalsContact O-CB 3.31Å; S243-L247 WeakPolarHBondContact O-CB 3.45Å; S243-L247 VanDerWaalsContact O-CG 3.29Å; S243-L247 WeakPolarHBondContact O-CG 3.49Å; S243-L247 PolarHBondContact O-N 2.88Å; S243-L247 VanDerWaalsContact O-N 3.08Å; K244-L247 PolarHBondContact O-N 2.79Å; Q245-L247 PolarHBondContact O-N 2.89Å; L247-D249 VanDerWaalsContact C-N 3.26Å; L247-D249 PolarHBondContact O-N 2.78Å; L247-D249 VanDerWaalsContact O-N 3.07Å; L247-L250 HydrophobicContact CD2-CD1 3.64Å; L247-L250 PolarHBondContact O-N 2.77Å; L247-F254 HydrophobicContact CD2-CB 4.42Å; L247-H255 HydrophobicContact CD1-CB 4.35Å; L247-M258 HydrophobicContact CD1-CB 4.24Å; L247-M258 HydrophobicContact CD1-SD 3.87Å; L247-M258 HydrophobicContact CG-SD 4.47Å
248A92.8Very high96.5Very high71 Ų7151.5 Ų51.559%0.58728%0.283SS*.THydrogen-bonded Turntrans-52.4-38.4-167.700000114.8K244K244-A248 VanDerWaalsContact O-CA 3.32Å; K244-A248 WeakPolarHBondContact O-CA 3.44Å; K244-A248 WeakPolarHBondContact O-CB 3.1Å; K244-A248 PolarHBondContact O-N 2.63Å
249D90Very high96.5Very high127 Ų12756.5 Ų56.568%0.67931%0.305SS*.THydrogen-bonded Turntrans-103.814-177.2-60.4-38.6000113.8L247L247-D249 VanDerWaalsContact C-N 3.26Å; L247-D249 PolarHBondContact O-N 2.78Å; L247-D249 VanDerWaalsContact O-N 3.07Å
250L96.8Very high96.6Very high13 Ų1354.9 Ų54.97%0.06830%0.296CS..SBendtrans-102.4150-178.6-73.8165.7000111.6I216 K219 L247 F254I216-L250 HydrophobicContact CB-CD1 4.26Å; I216-L250 HydrophobicContact CG1-CD1 3.73Å; I216-L250 HydrophobicContact CG2-CD1 4.21Å; K219-L250 HydrophobicContact CB-CD2 3.7Å; K219-L250 HydrophobicContact CG-CD2 3.73Å; L247-L250 HydrophobicContact CD2-CD1 3.64Å; L247-L250 PolarHBondContact O-N 2.77Å; L250-F254 HydrophobicContact CB-CB 4.01Å; L250-F254 HydrophobicContact CB-CD1 4.45Å; L250-F254 HydrophobicContact CB-CD2 4.18Å; L250-F254 HydrophobicContact CB-CG 3.96Å; L250-F254 HydrophobicContact CD1-CB 4.49Å; L250-F254 HydrophobicContact CD1-CD1 3.87Å; L250-F254 HydrophobicContact CD1-CE1 4.36Å; L250-F254 HydrophobicContact CD1-CG 4.21Å; L250-F254 HydrophobicContact CD2-CD1 4.14Å; L250-F254 HydrophobicContact CD2-CD2 4.28Å; L250-F254 HydrophobicContact CD2-CE1 4.03Å; L250-F254 HydrophobicContact CD2-CE2 4.18Å; L250-F254 HydrophobicContact CD2-CG 4.27Å; L250-F254 HydrophobicContact CD2-CZ 4.05Å; L250-F254 HydrophobicContact CG-CD1 4.4Å; L250-F254 HydrophobicContact CG-CG 4.39Å
251P97.7Very high96.8Very high9 Ų950.7 Ų50.76%0.05827%0.27CS..  trans-54.1147.2172.5-25.133.6000112.5Q253 F254 V282P251-Q253 PolarHBondContact O-N 2.91Å; P251-F254 HydrophobicContact CB-CD2 4.27Å; P251-F254 HydrophobicContact CG-CD2 4.3Å; P251-F254 HydrophobicContact CG-CE2 4.31Å; P251-F254 WeakPolarHBondContact O-CB 3.43Å; P251-F254 PolarHBondContact O-N 3.39Å; P251-V282 HydrophobicContact CB-CG1 4Å; P251-V282 HydrophobicContact CB-CG2 3.76Å; P251-V282 HydrophobicContact CG-CG1 3.65Å; P251-V282 HydrophobicContact CG-CG2 4.2Å
252S97.4Very high96.8Very high78 Ų7854.7 Ų54.755%0.54529%0.288SS..Hα-helixtrans-52.3-30.8-176.668.70000114.1F254 H255 D256S252-F254 PolarHBondContact O-N 2.9Å; S252-H255 VanDerWaalsContact O-CB 3.3Å; S252-H255 WeakPolarHBondContact O-CB 3.49Å; S252-H255 PolarHBondContact O-N 2.97Å; S252-D256 PolarHBondContact O-N 3.47Å
253Q98.5Very high96.9Very high14 Ų1458.4 Ų58.47%0.06530%0.3CS..Hα-helixtrans-58.5-28.6176.5-66.482.3-8.200112.9P251 H255 D256 I257 K278 S281 V282 D285P251-Q253 PolarHBondContact O-N 2.91Å; Q253-H255 VanDerWaalsContact C-N 3.3Å; Q253-H255 PolarHBondContact O-N 3.46Å; Q253-D256 WeakPolarHBondContact O-CB 3.38Å; Q253-D256 PolarHBondContact O-N 3.19Å; Q253-I257 VanDerWaalsContact O-CG1 3.29Å; Q253-I257 WeakPolarHBondContact O-CG1 3.31Å; Q253-I257 PolarHBondContact O-N 2.88Å; Q253-K278 HydrophobicContact CB-CB 4.43Å; Q253-K278 HydrophobicContact CB-CD 4.28Å; Q253-K278 HydrophobicContact CG-CD 4.18Å; Q253-S281 PolarHBondContact NE2-OG 3.33Å; Q253-V282 HydrophobicContact CB-CG2 3.74Å; Q253-V282 HydrophobicContact CG-CG2 3.81Å; Q253-D285 PolarHBondContact NE2-OD2 2.94Å
254F98.5Very high97.1Very high2 Ų257.3 Ų57.31%0.00929%0.29CS..Hα-helixtrans-66-32.9173.6-81-105.4000112.1V117 F212 L215 L247 L250 P251 S252 I257 M258 F279V117-F254 HydrophobicContact CG1-CE2 4.21Å; V117-F254 HydrophobicContact CG1-CZ 4.44Å; F212-F254 HydrophobicContact CD2-CD1 4.23Å; F212-F254 HydrophobicContact CE2-CB 4.17Å; F212-F254 AromaticContact CE2-CD1 3.56Å; F212-F254 HydrophobicContact CE2-CD1 3.56Å; F212-F254 HydrophobicContact CE2-CE1 4.39Å; F212-F254 HydrophobicContact CE2-CG 4.26Å; F212-F254 HydrophobicContact CZ-CB 4.5Å; F212-F254 HydrophobicContact CZ-CD1 4.31Å; F212-F254 WeakPolarHBondContact CZ-O 3.44Å; L215-F254 HydrophobicContact CB-CE1 3.9Å; L215-F254 HydrophobicContact CB-CZ 4.37Å; L247-F254 HydrophobicContact CD2-CB 4.42Å; L250-F254 HydrophobicContact CB-CB 4.01Å; L250-F254 HydrophobicContact CB-CD1 4.45Å; L250-F254 HydrophobicContact CB-CD2 4.18Å; L250-F254 HydrophobicContact CB-CG 3.96Å; L250-F254 HydrophobicContact CD1-CB 4.49Å; L250-F254 HydrophobicContact CD1-CD1 3.87Å; L250-F254 HydrophobicContact CD1-CE1 4.36Å; L250-F254 HydrophobicContact CD1-CG 4.21Å; L250-F254 HydrophobicContact CD2-CD1 4.14Å; L250-F254 HydrophobicContact CD2-CD2 4.28Å; L250-F254 HydrophobicContact CD2-CE1 4.03Å; L250-F254 HydrophobicContact CD2-CE2 4.18Å; L250-F254 HydrophobicContact CD2-CG 4.27Å; L250-F254 HydrophobicContact CD2-CZ 4.05Å; L250-F254 HydrophobicContact CG-CD1 4.4Å; L250-F254 HydrophobicContact CG-CG 4.39Å; P251-F254 HydrophobicContact CB-CD2 4.27Å; P251-F254 HydrophobicContact CG-CD2 4.3Å; P251-F254 HydrophobicContact CG-CE2 4.31Å; P251-F254 WeakPolarHBondContact O-CB 3.43Å; P251-F254 PolarHBondContact O-N 3.39Å; S252-F254 PolarHBondContact O-N 2.9Å; F254-I257 PolarHBondContact O-N 2.86Å; F254-M258 PolarHBondContact O-N 3.44Å; F254-F279 HydrophobicContact CE2-CE1 4.45Å; F254-F279 HydrophobicContact CZ-CE1 4.11Å
255H98.3Very high97.2Very high51 Ų5152.3 Ų52.324%0.23628%0.278CS..Hα-helixtrans-67.4-39.6173.6-64.3-97.1000111.2L247 S252 Q253 M258 K259L247-H255 HydrophobicContact CD1-CB 4.35Å; S252-H255 VanDerWaalsContact O-CB 3.3Å; S252-H255 WeakPolarHBondContact O-CB 3.49Å; S252-H255 PolarHBondContact O-N 2.97Å; Q253-H255 VanDerWaalsContact C-N 3.3Å; Q253-H255 PolarHBondContact O-N 3.46Å; H255-M258 PolarHBondContact O-N 2.91Å; H255-K259 VanDerWaalsContact O-CG 3.29Å; H255-K259 WeakPolarHBondContact O-CG 3.33Å; H255-K259 PolarHBondContact O-N 3.16Å
256D98.4Very high97.2Very high54 Ų5447.7 Ų47.729%0.28926%0.255SS..Hα-helixtrans-63.8-45.8175.7-67.9-18.9000111.2S252 Q253 M258 K259 M260 W274 K278S252-D256 PolarHBondContact O-N 3.47Å; Q253-D256 WeakPolarHBondContact O-CB 3.38Å; Q253-D256 PolarHBondContact O-N 3.19Å; D256-M258 VanDerWaalsContact C-N 3.33Å; D256-M258 PolarHBondContact O-N 3.32Å; D256-K259 PolarHBondContact O-N 2.69Å; D256-M260 PolarHBondContact O-N 3.4Å; D256-W274 HydrophobicContact CB-CH2 4.12Å; D256-W274 HydrophobicContact CB-CZ2 4.32Å; D256-K278 HydrophobicContact CB-CD 4.37Å; D256-K278 IonicContact OD2-NZ 3.45Å; D256-K278 PolarHBondContact OD2-NZ 3.44Å
257I98.7Very high97.2Very high3 Ų350.3 Ų50.32%0.01528%0.277CS..Hα-helixtrans-57.9-46.8176.8-71.8167.7000110.4F212 Q253 F254 K259 M260 L261 W274 F275 K278 F279F212-I257 HydrophobicContact CD2-CB 4.37Å; F212-I257 HydrophobicContact CD2-CG2 3.44Å; F212-I257 VanDerWaalsContact CD2-CG2 3.44Å; F212-I257 HydrophobicContact CE2-CB 4.06Å; F212-I257 HydrophobicContact CE2-CG2 3.61Å; F212-I257 HydrophobicContact CG-CG2 4.27Å; Q253-I257 VanDerWaalsContact O-CG1 3.29Å; Q253-I257 WeakPolarHBondContact O-CG1 3.31Å; Q253-I257 PolarHBondContact O-N 2.88Å; F254-I257 PolarHBondContact O-N 2.86Å; I257-K259 PolarHBondContact O-N 3.48Å; I257-M260 WeakPolarHBondContact O-CB 3.39Å; I257-M260 PolarHBondContact O-N 3.44Å; I257-L261 HydrophobicContact CG2-CD1 3.96Å; I257-L261 HydrophobicContact CG2-CG 4.42Å; I257-L261 WeakPolarHBondContact O-CG 3.34Å; I257-L261 PolarHBondContact O-N 3.33Å; I257-W274 HydrophobicContact CG1-CH2 4.42Å; I257-W274 HydrophobicContact CG1-CZ3 4.09Å; I257-F275 HydrophobicContact CG1-CD1 4.27Å; I257-F275 HydrophobicContact CG2-CD1 4Å; I257-F275 HydrophobicContact CG2-CE1 3.95Å; I257-K278 HydrophobicContact CD1-CB 3.93Å; I257-K278 HydrophobicContact CG1-CB 4.02Å; I257-K278 HydrophobicContact CG1-CG 4.3Å; I257-F279 HydrophobicContact CD1-CD1 4.12Å; I257-F279 HydrophobicContact CD1-CE1 3.54Å; I257-F279 HydrophobicContact CD1-CE2 4.41Å; I257-F279 HydrophobicContact CD1-CZ 3.71Å
258M98.4Very high97.1Very high9 Ų953.2 Ų53.24%0.04429%0.292CS..Hα-helixtrans-60.7-45.2177.6-168.6172.9-176.700111.9W209 F212 L246 L247 F254 H255 D256 M260 L261 Q262W209-M258 HydrophobicContact CH2-CE 4.34Å; W209-M258 HydrophobicContact CH2-CG 4.01Å; W209-M258 HydrophobicContact CZ3-CG 4.35Å; F212-M258 HydrophobicContact CE1-CB 3.83Å; F212-M258 HydrophobicContact CE1-CG 3.94Å; F212-M258 HydrophobicContact CE1-SD 4.24Å; F212-M258 HydrophobicContact CZ-CB 3.71Å; F212-M258 HydrophobicContact CZ-CG 4.3Å; L246-M258 HydrophobicContact CD2-CE 4.22Å; L247-M258 HydrophobicContact CD1-CB 4.24Å; L247-M258 HydrophobicContact CD1-SD 3.87Å; L247-M258 HydrophobicContact CG-SD 4.47Å; F254-M258 PolarHBondContact O-N 3.44Å; H255-M258 PolarHBondContact O-N 2.91Å; D256-M258 VanDerWaalsContact C-N 3.33Å; D256-M258 PolarHBondContact O-N 3.32Å; M258-M260 VanDerWaalsContact C-N 3.28Å; M258-M260 PolarHBondContact O-N 3.1Å; M258-L261 PolarHBondContact O-N 3.46Å; M258-Q262 VanDerWaalsContact O-CG 3.28Å; M258-Q262 WeakPolarHBondContact O-CG 3.41Å; M258-Q262 PolarHBondContact O-N 3.46Å
259K98Very high97.3Very high116 Ų11654.1 Ų54.150%0.50429%0.292SS..Hα-helixtrans-60.6-38.1176.3-72.1169.8-173.7170.50111.9H255 D256 I257 K263H255-K259 VanDerWaalsContact O-CG 3.29Å; H255-K259 WeakPolarHBondContact O-CG 3.33Å; H255-K259 PolarHBondContact O-N 3.16Å; D256-K259 PolarHBondContact O-N 2.69Å; I257-K259 PolarHBondContact O-N 3.48Å; K259-K263 WeakPolarHBondContact O-CG 3.38Å; K259-K263 PolarHBondContact O-N 3.2Å
260M98.4Very high97.6Very high53 Ų5348.4 Ų48.426%0.26126%0.262SS..Hα-helixtrans-65.8-48.6175.9-176.159.278.900111D256 I257 M258 Q262 K263 L264 W274 F275D256-M260 PolarHBondContact O-N 3.4Å; I257-M260 WeakPolarHBondContact O-CB 3.39Å; I257-M260 PolarHBondContact O-N 3.44Å; M258-M260 VanDerWaalsContact C-N 3.28Å; M258-M260 PolarHBondContact O-N 3.1Å; M260-Q262 PolarHBondContact O-N 3.27Å; M260-K263 WeakPolarHBondContact O-CB 3.26Å; M260-K263 PolarHBondContact O-N 3.46Å; M260-L264 HydrophobicContact CG-CD1 4.49Å; M260-L264 PolarHBondContact O-N 3.16Å; M260-W274 HydrophobicContact CB-CE3 4.44Å; M260-W274 HydrophobicContact CB-CH2 3.61Å; M260-W274 HydrophobicContact CB-CZ2 4.49Å; M260-W274 HydrophobicContact CB-CZ3 3.58Å; M260-W274 HydrophobicContact CE-CD2 4.18Å; M260-W274 HydrophobicContact CE-CE3 4.34Å; M260-W274 HydrophobicContact CE-CH2 4.2Å; M260-W274 HydrophobicContact CE-CZ2 3.99Å; M260-W274 HydrophobicContact CE-CZ3 4.37Å; M260-W274 HydrophobicContact CG-CE3 4.15Å; M260-W274 HydrophobicContact CG-CH2 4.15Å; M260-W274 HydrophobicContact CG-CZ3 3.77Å; M260-F275 HydrophobicContact CB-CZ 4.35Å; M260-F275 HydrophobicContact CG-CE1 4.38Å; M260-F275 HydrophobicContact CG-CE2 4.34Å; M260-F275 HydrophobicContact CG-CZ 3.75Å
261L98.5Very high97.7Very high2 Ų252.1 Ų52.11%0.0128%0.282CS..Hα-helixtrans-60.9-30.7178.8-70.4172.2000113.5L208 W209 F212 I257 M258 K263 L264 F275L208-L261 HydrophobicContact CB-CD2 3.6Å; L208-L261 HydrophobicContact CD1-CD2 4.5Å; W209-L261 HydrophobicContact CD2-CB 3.99Å; W209-L261 HydrophobicContact CD2-CD1 4.08Å; W209-L261 VanDerWaalsContact CE2-CB 3.47Å; W209-L261 HydrophobicContact CE3-CB 4.48Å; W209-L261 HydrophobicContact CE3-CD1 4.07Å; W209-L261 HydrophobicContact CG-CD1 4.48Å; W209-L261 HydrophobicContact CH2-CB 4.07Å; W209-L261 HydrophobicContact CZ2-CB 3.52Å; W209-L261 HydrophobicContact CZ3-CD1 4.39Å; W209-L261 PolarHBondContact NE1-O 3.21Å; W209-L261 VanDerWaalsContact NE1-O 3.11Å; F212-L261 HydrophobicContact CB-CD1 3.67Å; F212-L261 HydrophobicContact CD1-CD1 4.04Å; F212-L261 HydrophobicContact CD2-CD1 4.34Å; F212-L261 HydrophobicContact CG-CD1 3.77Å; I257-L261 HydrophobicContact CG2-CD1 3.96Å; I257-L261 HydrophobicContact CG2-CG 4.42Å; I257-L261 WeakPolarHBondContact O-CG 3.34Å; I257-L261 PolarHBondContact O-N 3.33Å; M258-L261 PolarHBondContact O-N 3.46Å; L261-K263 VanDerWaalsContact C-N 3.33Å; L261-L264 HydrophobicContact CD2-CD1 4.47Å; L261-F275 HydrophobicContact CD2-CE1 3.9Å; L261-F275 HydrophobicContact CD2-CZ 3.93Å; L261-F275 HydrophobicContact CG-CE1 4Å; L261-F275 HydrophobicContact CG-CZ 4.34Å
262Q97.5Very high97.8Very high119 Ų11952.9 Ų52.956%0.55628%0.284SS*.Hα-helixtrans-71.6-24.9174.3-73.7171.5-28.600113.4W209 M258 M260W209-Q262 HydrophobicContact CH2-CG 3.96Å; W209-Q262 HydrophobicContact CZ2-CG 3.81Å; M258-Q262 VanDerWaalsContact O-CG 3.28Å; M258-Q262 WeakPolarHBondContact O-CG 3.41Å; M258-Q262 PolarHBondContact O-N 3.46Å; M260-Q262 PolarHBondContact O-N 3.27Å
263K97.8Very high97.8Very high163 Ų16353.9 Ų53.971%0.70928%0.283SS*.Hα-helixtrans-83.7-30.9178.3-71.2173.9-179.9-175.40112.8K259 M260 L261 A265K259-K263 WeakPolarHBondContact O-CG 3.38Å; K259-K263 PolarHBondContact O-N 3.2Å; M260-K263 WeakPolarHBondContact O-CB 3.26Å; M260-K263 PolarHBondContact O-N 3.46Å; L261-K263 VanDerWaalsContact C-N 3.33Å; K263-A265 PolarHBondContact O-N 3.05Å
264L98.2Very high97.9Very high23 Ų2356.4 Ų56.412%0.1229%0.292CS..  trans-69129.5-176.7-67.2171000111.6H205 M260 L261 D268 P270 F275H205-L264 HydrophobicContact CB-CB 3.66Å; H205-L264 HydrophobicContact CB-CD1 3.91Å; H205-L264 HydrophobicContact CB-CG 4.43Å; H205-L264 PolarHBondContact CD2-O 3.5Å; M260-L264 HydrophobicContact CG-CD1 4.49Å; M260-L264 PolarHBondContact O-N 3.16Å; L261-L264 HydrophobicContact CD2-CD1 4.47Å; L264-D268 HydrophobicContact CD2-CB 3.74Å; L264-P270 HydrophobicContact CD1-CB 4.23Å; L264-P270 HydrophobicContact CD1-CG 4.45Å; L264-F275 HydrophobicContact CD1-CE2 4.42Å; L264-F275 HydrophobicContact CD1-CZ 4.09Å
265A96.6Very high97.9Very high51 Ų5156.6 Ų56.642%0.42129%0.293SS..  trans-105174.4172.700000111.4K263 A267 D268K263-A265 PolarHBondContact O-N 3.05Å; A265-A267 PolarHBondContact O-N 3.09Å; A265-A267 VanDerWaalsContact O-N 3.16Å; A265-D268 PolarHBondContact N-OD2 3.06Å; A265-D268 PolarHBondContact O-N 2.96Å
266Y96.5Very high97.9Very high42 Ų4254.3 Ų54.317%0.16528%0.282CS..THydrogen-bonded Turntrans-51.8-39.5-178.3174.3-107.6000114.2R177 P179 E201 Q202 D268R177-Y266 VanDerWaalsContact O-CE1 3.27Å; R177-Y266 WeakPolarHBondContact O-CE1 3.49Å; R177-Y266 PolarHBondContact O-OH 2.78Å; P179-Y266 HydrophobicContact CB-CD1 4.07Å; P179-Y266 HydrophobicContact CB-CE1 4.12Å; P179-Y266 HydrophobicContact CG-CD1 4.23Å; P179-Y266 HydrophobicContact CG-CE1 4.38Å; E201-Y266 HydrophobicContact CB-CD2 4.34Å; E201-Y266 HydrophobicContact CB-CE2 4.2Å; E201-Y266 HydrophobicContact CG-CD2 4.13Å; E201-Y266 HydrophobicContact CG-CE2 3.51Å; Q202-Y266 WeakPolarHBondContact O-CE2 3.25Å; Y266-D268 VanDerWaalsContact C-N 3.33Å
267A95.8Very high97.9Very high57 Ų5755.5 Ų55.547%0.47129%0.286SS..THydrogen-bonded Turntrans-78.5-19.1-175.900000113.4L176 R204 A265L176-A267 HydrophobicContact CD1-CB 4.01Å; R204-A267 PolarHBondContact NH2-O 2.52Å; R204-A267 VanDerWaalsContact NH2-O 3.17Å; A265-A267 PolarHBondContact O-N 3.09Å; A265-A267 VanDerWaalsContact O-N 3.16Å
268D96.7Very high97.9Very high60 Ų6057.6 Ų57.632%0.32130%0.295SS..PPolyproline II helixtrans-74.9133.4-166.8-61.9-28.2000111R204 L264 A265 Y266 P270R204-D268 PolarHBondContact NE-O 3.43Å; R204-D268 VanDerWaalsContact NH2-C 3.27Å; R204-D268 PolarHBondContact NH2-O 3.36Å; R204-D268 VanDerWaalsContact NH2-O 3.14Å; L264-D268 HydrophobicContact CD2-CB 3.74Å; A265-D268 PolarHBondContact N-OD2 3.06Å; A265-D268 PolarHBondContact O-N 2.96Å; Y266-D268 VanDerWaalsContact C-N 3.33Å; D268-P270 WeakPolarHBondContact O-CD 3.27Å
269P95.9Very high97.9Very high90 Ų9057.4 Ų57.458%0.58429%0.294SS*.PPolyproline II helixtrans-75.4120.6162.529.1-28.6000108.9R204R204-P269 VanDerWaalsContact CZ-CA 3.44Å; R204-P269 VanDerWaalsContact NH2-CA 3.3Å; R204-P269 VanDerWaalsContact NH2-N 3.14Å
270P98Very high97.9Very high7 Ų756.2 Ų56.25%0.04529%0.286CS..PPolyproline II helixtrans-64139.3172.1-18.731.8000110.7R204 L208 L264 D268 Y272 F275R204-P270 HydrophobicContact CB-CG 3.76Å; L208-P270 HydrophobicContact CD1-CB 3.48Å; L208-P270 VanDerWaalsContact CD1-CB 3.48Å; L208-P270 HydrophobicContact CD1-CG 3.75Å; L264-P270 HydrophobicContact CD1-CB 4.23Å; L264-P270 HydrophobicContact CD1-CG 4.45Å; D268-P270 WeakPolarHBondContact O-CD 3.27Å; P270-Y272 VanDerWaalsContact C-N 3.33Å; P270-Y272 HydrophobicContact CB-CD1 4.38Å; P270-Y272 HydrophobicContact CB-CE1 4.02Å; P270-Y272 HydrophobicContact CB-CE2 4.48Å; P270-Y272 HydrophobicContact CG-CE1 4.16Å; P270-Y272 VanDerWaalsContact O-CD2 3.28Å; P270-Y272 WeakPolarHBondContact O-CD2 3.49Å; P270-Y272 WeakPolarHBondContact O-CE2 3.48Å; P270-Y272 PolarHBondContact O-N 3.18Å; P270-F275 HydrophobicContact CB-CE2 4.16Å
271D98.4Very high97.9Very high91 Ų9154.8 Ų54.849%0.48728%0.282SS..  trans-77.885.2167-176.4-15000109D273 W274 F275D271-D273 PolarHBondContact O-N 3.25Å; D271-D273 PolarHBondContact OD1-N 2.92Å; D271-W274 HydrophobicContact CB-CB 3.91Å; D271-W274 VanDerWaalsContact CG-CB 3.41Å; D271-W274 WeakPolarHBondContact O-CB 3.45Å; D271-W274 PolarHBondContact O-N 3.41Å; D271-W274 PolarHBondContact OD1-N 3.45Å; D271-F275 WeakPolarHBondContact O-CD2 3.4Å; D271-F275 PolarHBondContact O-N 3.26Å
272Y98.8Very high97.9Very high26 Ų2654.8 Ų54.810%0.10228%0.282CS..Hα-helixtrans-58.6-36.3-177.3-58.8-77.4000112.4V124 I127 R128 H131 L208 P270 W274 F275 I276V124-Y272 HydrophobicContact CG1-CD1 4.08Å; I127-Y272 HydrophobicContact CG2-CE1 4.22Å; R128-Y272 HydrophobicContact CB-CD1 3.93Å; R128-Y272 HydrophobicContact CB-CD2 4.12Å; R128-Y272 HydrophobicContact CB-CE1 4.34Å; R128-Y272 HydrophobicContact CB-CG 3.82Å; R128-Y272 HydrophobicContact CG-CD2 3.86Å; R128-Y272 HydrophobicContact CG-CE2 4.31Å; R128-Y272 HydrophobicContact CG-CG 4.02Å; H131-Y272 WeakPolarHBondContact CB-OH 3.3Å; H131-Y272 VanDerWaalsContact CG-OH 3.3Å; H131-Y272 AromaticContact ND1-CE1 3.59Å; H131-Y272 AromaticContact ND1-CZ 3.51Å; H131-Y272 PolarHBondContact ND1-OH 2.94Å; L208-Y272 HydrophobicContact CD1-CE1 4.29Å; P270-Y272 VanDerWaalsContact C-N 3.33Å; P270-Y272 HydrophobicContact CB-CD1 4.38Å; P270-Y272 HydrophobicContact CB-CE1 4.02Å; P270-Y272 HydrophobicContact CB-CE2 4.48Å; P270-Y272 HydrophobicContact CG-CE1 4.16Å; P270-Y272 VanDerWaalsContact O-CD2 3.28Å; P270-Y272 WeakPolarHBondContact O-CD2 3.49Å; P270-Y272 WeakPolarHBondContact O-CE2 3.48Å; P270-Y272 PolarHBondContact O-N 3.18Å; Y272-W274 VanDerWaalsContact C-N 3.31Å; Y272-W274 PolarHBondContact O-N 2.97Å; Y272-F275 PolarHBondContact O-N 2.97Å; Y272-I276 WeakPolarHBondContact O-CG1 3.45Å; Y272-I276 PolarHBondContact O-N 3.44Å
273D98.8Very high98Very high99 Ų9949.4 Ų49.453%0.52926%0.257SS..Hα-helixtrans-67.8-34.8-179.7-65.8-36.6000111R128 D271 F275 I276 E277R128-D273 IonicContact NH1-OD1 3.1Å; R128-D273 PolarHBondContact NH1-OD1 2.69Å; D271-D273 PolarHBondContact O-N 3.25Å; D271-D273 PolarHBondContact OD1-N 2.92Å; D273-F275 PolarHBondContact O-N 3.38Å; D273-I276 PolarHBondContact O-N 3.04Å; D273-E277 VanDerWaalsContact O-CB 3.28Å; D273-E277 WeakPolarHBondContact O-CB 3.24Å; D273-E277 PolarHBondContact O-N 3.42Å
274W98.8Very high98Very high67 Ų6748.5 Ų48.525%0.25425%0.249SC..Hα-helixtrans-61.5-41.9171.3-177.795.1000112.8D256 I257 M260 D271 Y272 E277 K278D256-W274 HydrophobicContact CB-CH2 4.12Å; D256-W274 HydrophobicContact CB-CZ2 4.32Å; I257-W274 HydrophobicContact CG1-CH2 4.42Å; I257-W274 HydrophobicContact CG1-CZ3 4.09Å; M260-W274 HydrophobicContact CB-CE3 4.44Å; M260-W274 HydrophobicContact CB-CH2 3.61Å; M260-W274 HydrophobicContact CB-CZ2 4.49Å; M260-W274 HydrophobicContact CB-CZ3 3.58Å; M260-W274 HydrophobicContact CE-CD2 4.18Å; M260-W274 HydrophobicContact CE-CE3 4.34Å; M260-W274 HydrophobicContact CE-CH2 4.2Å; M260-W274 HydrophobicContact CE-CZ2 3.99Å; M260-W274 HydrophobicContact CE-CZ3 4.37Å; M260-W274 HydrophobicContact CG-CE3 4.15Å; M260-W274 HydrophobicContact CG-CH2 4.15Å; M260-W274 HydrophobicContact CG-CZ3 3.77Å; D271-W274 HydrophobicContact CB-CB 3.91Å; D271-W274 VanDerWaalsContact CG-CB 3.41Å; D271-W274 WeakPolarHBondContact O-CB 3.45Å; D271-W274 PolarHBondContact O-N 3.41Å; D271-W274 PolarHBondContact OD1-N 3.45Å; Y272-W274 VanDerWaalsContact C-N 3.31Å; Y272-W274 PolarHBondContact O-N 2.97Å; W274-E277 PolarHBondContact O-N 3.11Å; W274-K278 HydrophobicContact CD2-CG 4.12Å; W274-K278 HydrophobicContact CE3-CG 4.12Å; W274-K278 HydrophobicContact CH2-CD 4.43Å; W274-K278 HydrophobicContact CH2-CG 3.91Å; W274-K278 HydrophobicContact CZ2-CD 4.18Å; W274-K278 HydrophobicContact CZ2-CG 3.93Å; W274-K278 HydrophobicContact CZ3-CG 4.01Å; W274-K278 WeakPolarHBondContact O-CG 3.48Å; W274-K278 PolarHBondContact O-N 3.18Å
275F98.8Very high97.9Very high5 Ų552.7 Ų52.72%0.02227%0.271CS..Hα-helixtrans-65.1-44.1176.1-70.7-87.5000111.3V124 L208 I257 M260 L261 L264 P270 D271 Y272 D273 E277 K278 F279V124-F275 HydrophobicContact CG1-CB 4.13Å; V124-F275 HydrophobicContact CG2-CB 4.03Å; L208-F275 HydrophobicContact CD1-CD2 4.18Å; L208-F275 HydrophobicContact CD1-CE2 3.78Å; L208-F275 HydrophobicContact CD1-CZ 4Å; I257-F275 HydrophobicContact CG1-CD1 4.27Å; I257-F275 HydrophobicContact CG2-CD1 4Å; I257-F275 HydrophobicContact CG2-CE1 3.95Å; M260-F275 HydrophobicContact CB-CZ 4.35Å; M260-F275 HydrophobicContact CG-CE1 4.38Å; M260-F275 HydrophobicContact CG-CE2 4.34Å; M260-F275 HydrophobicContact CG-CZ 3.75Å; L261-F275 HydrophobicContact CD2-CE1 3.9Å; L261-F275 HydrophobicContact CD2-CZ 3.93Å; L261-F275 HydrophobicContact CG-CE1 4Å; L261-F275 HydrophobicContact CG-CZ 4.34Å; L264-F275 HydrophobicContact CD1-CE2 4.42Å; L264-F275 HydrophobicContact CD1-CZ 4.09Å; P270-F275 HydrophobicContact CB-CE2 4.16Å; D271-F275 WeakPolarHBondContact O-CD2 3.4Å; D271-F275 PolarHBondContact O-N 3.26Å; Y272-F275 PolarHBondContact O-N 2.97Å; D273-F275 PolarHBondContact O-N 3.38Å; F275-E277 VanDerWaalsContact C-N 3.31Å; F275-E277 PolarHBondContact O-N 3.4Å; F275-K278 PolarHBondContact O-N 3.25Å; F275-F279 WeakPolarHBondContact O-CD2 3.48Å; F275-F279 PolarHBondContact O-N 3.5Å
276I98.8Very high97.9Very high3 Ų357.2 Ų57.22%0.01528%0.277CS..Hα-helixtrans-59.4-45.4176-69.4164.7000110.1I121 V124 E125 Y272 D273 K278 F279 R280I121-I276 HydrophobicContact CG2-CG2 4.09Å; V124-I276 HydrophobicContact CB-CG1 3.99Å; V124-I276 HydrophobicContact CG1-CD1 4.08Å; V124-I276 HydrophobicContact CG1-CG1 3.74Å; E125-I276 HydrophobicContact CG-CD1 3.68Å; E125-I276 HydrophobicContact CG-CG1 4.42Å; Y272-I276 WeakPolarHBondContact O-CG1 3.45Å; Y272-I276 PolarHBondContact O-N 3.44Å; D273-I276 PolarHBondContact O-N 3.04Å; I276-K278 VanDerWaalsContact C-N 3.33Å; I276-K278 PolarHBondContact O-N 3.01Å; I276-F279 PolarHBondContact O-N 3.12Å; I276-F279 VanDerWaalsContact O-N 3.15Å; I276-R280 HydrophobicContact CG2-CG 4.41Å; I276-R280 PolarHBondContact O-N 2.76Å
277E98.7Very high97.9Very high79 Ų7958.1 Ų58.137%0.36930%0.3SS..Hα-helixtrans-65.2-35.2179.8-176.750.9-143.700112.3D273 W274 F275 F279 R280 S281 R284D273-E277 VanDerWaalsContact O-CB 3.28Å; D273-E277 WeakPolarHBondContact O-CB 3.24Å; D273-E277 PolarHBondContact O-N 3.42Å; W274-E277 PolarHBondContact O-N 3.11Å; F275-E277 VanDerWaalsContact C-N 3.31Å; F275-E277 PolarHBondContact O-N 3.4Å; E277-F279 VanDerWaalsContact C-N 3.34Å; E277-F279 PolarHBondContact O-N 2.89Å; E277-R280 PolarHBondContact O-N 3.47Å; E277-S281 WeakPolarHBondContact O-CB 3.47Å; E277-S281 PolarHBondContact O-N 2.86Å; E277-R284 IonicContact OE1-CZ 3.18Å; E277-R284 IonicContact OE1-NH1 2.82Å; E277-R284 PolarHBondContact OE1-NH1 3.24Å; E277-R284 IonicContact OE1-NH2 2.67Å; E277-R284 PolarHBondContact OE1-NH2 2.81Å; E277-R284 IonicContact OE2-NH1 3.95Å
278K98.7Very high97.9Very high47 Ų4758.4 Ų58.420%0.20429%0.289CS..Hα-helixtrans-61.7-41.2172.2-74.7-67.5178.9-179.90112.2Q253 D256 I257 W274 F275 I276 S281 V282Q253-K278 HydrophobicContact CB-CB 4.43Å; Q253-K278 HydrophobicContact CB-CD 4.28Å; Q253-K278 HydrophobicContact CG-CD 4.18Å; D256-K278 HydrophobicContact CB-CD 4.37Å; D256-K278 IonicContact OD2-NZ 3.45Å; D256-K278 PolarHBondContact OD2-NZ 3.44Å; I257-K278 HydrophobicContact CD1-CB 3.93Å; I257-K278 HydrophobicContact CG1-CB 4.02Å; I257-K278 HydrophobicContact CG1-CG 4.3Å; W274-K278 HydrophobicContact CD2-CG 4.12Å; W274-K278 HydrophobicContact CE3-CG 4.12Å; W274-K278 HydrophobicContact CH2-CD 4.43Å; W274-K278 HydrophobicContact CH2-CG 3.91Å; W274-K278 HydrophobicContact CZ2-CD 4.18Å; W274-K278 HydrophobicContact CZ2-CG 3.93Å; W274-K278 HydrophobicContact CZ3-CG 4.01Å; W274-K278 WeakPolarHBondContact O-CG 3.48Å; W274-K278 PolarHBondContact O-N 3.18Å; F275-K278 PolarHBondContact O-N 3.25Å; I276-K278 VanDerWaalsContact C-N 3.33Å; I276-K278 PolarHBondContact O-N 3.01Å; K278-S281 PolarHBondContact O-N 3.15Å; K278-V282 PolarHBondContact O-N 3.31Å
279F98.6Very high97.8Very high5 Ų562.4 Ų62.42%0.02230%0.304CS..Hα-helixtrans-69.2-41.1174.6-64.8-52000112.5V117 I121 V124 L215 F254 I257 F275 I276 E277 S281 V282 M283V117-F279 HydrophobicContact CB-CB 4.36Å; V117-F279 HydrophobicContact CB-CD1 4.31Å; V117-F279 HydrophobicContact CG1-CD1 4.23Å; I121-F279 HydrophobicContact CD1-CB 4.01Å; I121-F279 HydrophobicContact CG1-CB 3.5Å; I121-F279 VanDerWaalsContact CG1-CB 3.5Å; I121-F279 HydrophobicContact CG1-CD2 4.28Å; I121-F279 HydrophobicContact CG1-CG 4.29Å; V124-F279 HydrophobicContact CG2-CD2 4.46Å; V124-F279 HydrophobicContact CG2-CE2 3.85Å; L215-F279 HydrophobicContact CD1-CE1 3.66Å; L215-F279 HydrophobicContact CD1-CE2 4.25Å; L215-F279 HydrophobicContact CD1-CZ 3.38Å; F254-F279 HydrophobicContact CE2-CE1 4.45Å; F254-F279 HydrophobicContact CZ-CE1 4.11Å; I257-F279 HydrophobicContact CD1-CD1 4.12Å; I257-F279 HydrophobicContact CD1-CE1 3.54Å; I257-F279 HydrophobicContact CD1-CE2 4.41Å; I257-F279 HydrophobicContact CD1-CZ 3.71Å; F275-F279 WeakPolarHBondContact O-CD2 3.48Å; F275-F279 PolarHBondContact O-N 3.5Å; I276-F279 PolarHBondContact O-N 3.12Å; I276-F279 VanDerWaalsContact O-N 3.15Å; E277-F279 VanDerWaalsContact C-N 3.34Å; E277-F279 PolarHBondContact O-N 2.89Å; F279-S281 VanDerWaalsContact C-N 3.3Å; F279-S281 PolarHBondContact O-N 3.27Å; F279-V282 WeakPolarHBondContact O-CB 3.16Å; F279-V282 PolarHBondContact O-N 3.07Å; F279-V282 VanDerWaalsContact O-N 3.13Å; F279-M283 PolarHBondContact O-N 3.35Å; F279-M283 VanDerWaalsContact O-N 3.13Å
280R98.5Very high97.6Very high91 Ų9164.4 Ų64.434%0.34331%0.305SS..Hα-helixtrans-61.6-36.5173.9-75.1-178169.8147.94.1112.6I121 I276 E277 V282 M283 R284 E290I121-R280 HydrophobicContact CD1-CG 3.9Å; I276-R280 HydrophobicContact CG2-CG 4.41Å; I276-R280 PolarHBondContact O-N 2.76Å; E277-R280 PolarHBondContact O-N 3.47Å; R280-V282 VanDerWaalsContact C-N 3.33Å; R280-V282 PolarHBondContact O-N 3.42Å; R280-M283 WeakPolarHBondContact O-CB 3.26Å; R280-M283 PolarHBondContact O-N 2.62Å; R280-M283 VanDerWaalsContact O-N 3.13Å; R280-R284 PolarHBondContact O-N 2.91Å; R280-E290 IonicContact NE-OE1 3.72Å
281S98.4Very high97.2Very high24 Ų2469.2 Ų69.217%0.16833%0.33CS..Hα-helixtrans-60.1-42.9173.1179.40000111.5Q253 E277 K278 F279 M283 R284 D285Q253-S281 PolarHBondContact NE2-OG 3.33Å; E277-S281 WeakPolarHBondContact O-CB 3.47Å; E277-S281 PolarHBondContact O-N 2.86Å; K278-S281 PolarHBondContact O-N 3.15Å; F279-S281 VanDerWaalsContact C-N 3.3Å; F279-S281 PolarHBondContact O-N 3.27Å; S281-M283 VanDerWaalsContact C-N 3.27Å; S281-M283 PolarHBondContact O-N 3.29Å; S281-R284 PolarHBondContact O-N 3.32Å; S281-D285 WeakPolarHBondContact O-CB 3.45Å; S281-D285 PolarHBondContact O-N 2.9Å
282V98.4Very high96.9Very high1 Ų166.2 Ų66.21%0.00632%0.318CS..Hα-helixtrans-59.6-42174.1178.50000110.8V117 P251 Q253 K278 F279 R280 D285 R286 Y288V117-V282 HydrophobicContact CG1-CB 4.18Å; V117-V282 HydrophobicContact CG1-CG1 3.91Å; P251-V282 HydrophobicContact CB-CG1 4Å; P251-V282 HydrophobicContact CB-CG2 3.76Å; P251-V282 HydrophobicContact CG-CG1 3.65Å; P251-V282 HydrophobicContact CG-CG2 4.2Å; Q253-V282 HydrophobicContact CB-CG2 3.74Å; Q253-V282 HydrophobicContact CG-CG2 3.81Å; K278-V282 PolarHBondContact O-N 3.31Å; F279-V282 WeakPolarHBondContact O-CB 3.16Å; F279-V282 PolarHBondContact O-N 3.07Å; F279-V282 VanDerWaalsContact O-N 3.13Å; R280-V282 VanDerWaalsContact C-N 3.33Å; R280-V282 PolarHBondContact O-N 3.42Å; V282-D285 PolarHBondContact O-N 3.08Å; V282-R286 HydrophobicContact CG1-CG 4.19Å; V282-R286 VanDerWaalsContact O-CB 3.31Å; V282-R286 WeakPolarHBondContact O-CB 3.34Å; V282-R286 VanDerWaalsContact O-CG 3.26Å; V282-R286 WeakPolarHBondContact O-CG 3.22Å; V282-R286 PolarHBondContact O-N 2.9Å; V282-Y288 HydrophobicContact CG1-CE2 4.42Å
283M98.2Very high96.6Very high7 Ų766.9 Ų66.93%0.03433%0.326CS..Hα-helixtrans-62.1-44.5178.3-65-179.263.800111.9V117 R118 I121 F279 R280 S281 R286 G287 Y288 E290V117-M283 HydrophobicContact CG2-CG 3.61Å; V117-M283 HydrophobicContact CG2-SD 4.32Å; R118-M283 HydrophobicContact CG-CE 3.76Å; R118-M283 HydrophobicContact CG-SD 3.86Å; I121-M283 HydrophobicContact CD1-SD 3.57Å; I121-M283 VanDerWaalsContact CD1-SD 3.57Å; F279-M283 PolarHBondContact O-N 3.35Å; F279-M283 VanDerWaalsContact O-N 3.13Å; R280-M283 WeakPolarHBondContact O-CB 3.26Å; R280-M283 PolarHBondContact O-N 2.62Å; R280-M283 VanDerWaalsContact O-N 3.13Å; S281-M283 VanDerWaalsContact C-N 3.27Å; S281-M283 PolarHBondContact O-N 3.29Å; M283-R286 PolarHBondContact O-N 3.05Å; M283-G287 CarbonylContact O-C 3.6Å; M283-G287 WeakPolarHBondContact O-CA 3.14Å; M283-G287 PolarHBondContact O-N 2.83Å; M283-Y288 HydrophobicContact CG-CD2 4.34Å; M283-Y288 PolarHBondContact O-N 3.19Å; M283-E290 HydrophobicContact CE-CB 4.42Å; M283-E290 HydrophobicContact CE-CG 3.78Å
284R98Very high96.4Very high144 Ų14462.4 Ų62.454%0.54330%0.301SS..Hα-helixtrans-63.1-47.7176.5-68.6-170.3-56.5-95.4-0.4112E277 R280 S281 R286 G287E277-R284 IonicContact OE1-CZ 3.18Å; E277-R284 IonicContact OE1-NH1 2.82Å; E277-R284 PolarHBondContact OE1-NH1 3.24Å; E277-R284 IonicContact OE1-NH2 2.67Å; E277-R284 PolarHBondContact OE1-NH2 2.81Å; E277-R284 IonicContact OE2-NH1 3.95Å; R280-R284 PolarHBondContact O-N 2.91Å; S281-R284 PolarHBondContact O-N 3.32Å; R284-R286 PolarHBondContact O-N 2.88Å; R284-G287 PolarHBondContact O-N 2.88Å
285D97.5Very high96Very high110 Ų11059.6 Ų59.659%0.58829%0.291SS*.Hα-helixtrans-62.7-29.4-178.3-62.9-11.4000112.4Q253 S281 V282Q253-D285 PolarHBondContact NE2-OD2 2.94Å; S281-D285 WeakPolarHBondContact O-CB 3.45Å; S281-D285 PolarHBondContact O-N 2.9Å; V282-D285 PolarHBondContact O-N 3.08Å
286R96.1Very high95.5Very high146 Ų14660.8 Ų60.855%0.55130%0.296SS*.Hα-helixtrans-103.1-1.9-177.7-61.5-80.3-175.6156.6-1.3113.8V282 M283 R284 Y288V282-R286 HydrophobicContact CG1-CG 4.19Å; V282-R286 VanDerWaalsContact O-CB 3.31Å; V282-R286 WeakPolarHBondContact O-CB 3.34Å; V282-R286 VanDerWaalsContact O-CG 3.26Å; V282-R286 WeakPolarHBondContact O-CG 3.22Å; V282-R286 PolarHBondContact O-N 2.9Å; M283-R286 PolarHBondContact O-N 3.05Å; R284-R286 PolarHBondContact O-N 2.88Å; R286-Y288 VanDerWaalsContact C-N 3.32Å; R286-Y288 HydrophobicContact CB-CD1 3.95Å; R286-Y288 HydrophobicContact CB-CD2 3.8Å; R286-Y288 HydrophobicContact CB-CE1 3.6Å; R286-Y288 HydrophobicContact CB-CE2 3.43Å; R286-Y288 VanDerWaalsContact CB-CE2 3.43Å; R286-Y288 HydrophobicContact CB-CG 4.04Å; R286-Y288 HydrophobicContact CG-CD2 4.49Å; R286-Y288 HydrophobicContact CG-CE2 3.78Å; R286-Y288 PolarHBondContact O-N 2.88Å
287G95.7Very high95.1Very high61 Ų6161.7 Ų61.763%0.62930%0.3SS*.THydrogen-bonded Turntrans66.925.9-177.200000114.9M283 R284M283-G287 CarbonylContact O-C 3.6Å; M283-G287 WeakPolarHBondContact O-CA 3.14Å; M283-G287 PolarHBondContact O-N 2.83Å; R284-G287 PolarHBondContact O-N 2.88Å
288Y96.4Very high94.2Very high63 Ų6365.5 Ų65.525%0.24732%0.317CS..  trans-77.2137.5177.1-54.7-32.4000111.2C113 V117 V282 M283 R286C113-Y288 HydrophobicContact CB-CE2 4.2Å; C113-Y288 WeakPolarHBondContact CB-OH 3.46Å; V117-Y288 HydrophobicContact CG2-CD2 4.21Å; V282-Y288 HydrophobicContact CG1-CE2 4.42Å; M283-Y288 HydrophobicContact CG-CD2 4.34Å; M283-Y288 PolarHBondContact O-N 3.19Å; R286-Y288 VanDerWaalsContact C-N 3.32Å; R286-Y288 HydrophobicContact CB-CD1 3.95Å; R286-Y288 HydrophobicContact CB-CD2 3.8Å; R286-Y288 HydrophobicContact CB-CE1 3.6Å; R286-Y288 HydrophobicContact CB-CE2 3.43Å; R286-Y288 VanDerWaalsContact CB-CE2 3.43Å; R286-Y288 HydrophobicContact CB-CG 4.04Å; R286-Y288 HydrophobicContact CG-CD2 4.49Å; R286-Y288 HydrophobicContact CG-CE2 3.78Å; R286-Y288 PolarHBondContact O-N 2.88Å
289K94.1Very high93.3Very high145 Ų14566.2 Ų66.263%0.6334%0.339SS*.  trans-97144.8177.7-57.9-177.5176.8-179.70111.4D291 A292K289-D291 VanDerWaalsContact C-N 3.31Å; K289-D291 WeakPolarHBondContact CB-OD1 3.39Å; K289-D291 PolarHBondContact O-N 2.84Å; K289-A292 HydrophobicContact CB-CB 4.27Å; K289-A292 PolarHBondContact O-N 2.85Å
290E91.9Very high92.3Very high131 Ų13166.6 Ų66.661%0.61234%0.343SS*.THydrogen-bonded Turntrans-64.6-37.5177.4-67.6-170.6167.800112R280 M283R280-E290 IonicContact NE-OE1 3.72Å; M283-E290 HydrophobicContact CE-CB 4.42Å; M283-E290 HydrophobicContact CE-CG 3.78Å
291D90.6Very high91Very high109 Ų10970.3 Ų70.358%0.58337%0.365SS*.THydrogen-bonded Turntrans-90.52.7-176.269.3-24.8000114.3R155 K289R155-D291 PolarHBondContact NH1-O 2.8Å; K289-D291 VanDerWaalsContact C-N 3.31Å; K289-D291 WeakPolarHBondContact CB-OD1 3.39Å; K289-D291 PolarHBondContact O-N 2.84Å
292A92Very high89.4Confident27 Ų2770.8 Ų70.822%0.22337%0.366CS..SBendtrans-59.1148.4174.600000110.2R118 K289R118-A292 PolarHBondContact NH1-O 2.92Å; K289-A292 HydrophobicContact CB-CB 4.27Å; K289-A292 PolarHBondContact O-N 2.85Å
293P92.6Very high87.5Confident41 Ų4174.2 Ų74.227%0.26638%0.379SS..PPolyproline II helixtrans-60.1145.9170.624-31.1000110.6R118 E297 G299R118-P293 PolarHBondContact NH2-O 3.38Å; P293-E297 HydrophobicContact CB-CB 3.83Å; P293-G299 WeakPolarHBondContact CG-O 3.48Å
294F93.4Very high85.4Confident4 Ų481.9 Ų81.92%0.01841%0.412CS..PPolyproline II helixtrans-66158.1157.4-69.3-64.3000109.6T115 R118 I119 R155 W296 E297 G300T115-F294 HydrophobicContact CG2-CD1 3.75Å; T115-F294 HydrophobicContact CG2-CE1 4.2Å; R118-F294 HydrophobicContact CB-CE1 3.99Å; R118-F294 HydrophobicContact CB-CZ 4.32Å; I119-F294 HydrophobicContact CG1-CE1 4.2Å; R155-F294 HydrophobicContact CB-CE2 4.14Å; R155-F294 HydrophobicContact CG-CD2 4.27Å; R155-F294 HydrophobicContact CG-CE2 4.31Å; F294-W296 HydrophobicContact CB-CD2 3.88Å; F294-W296 VanDerWaalsContact CB-CE2 3.42Å; F294-W296 HydrophobicContact CB-CE3 4.37Å; F294-W296 HydrophobicContact CB-CG 4.4Å; F294-W296 HydrophobicContact CB-CH2 4.1Å; F294-W296 HydrophobicContact CB-CZ2 3.54Å; F294-W296 HydrophobicContact CB-CZ3 4.48Å; F294-W296 HydrophobicContact CD1-CH2 4.13Å; F294-W296 HydrophobicContact CD1-CZ2 4.04Å; F294-W296 AromaticContact CD2-CZ2 3.79Å; F294-W296 HydrophobicContact CD2-CZ2 3.79Å; F294-W296 HydrophobicContact CE2-CZ2 4.5Å; F294-W296 AromaticContact CG-CE2 3.92Å; F294-W296 HydrophobicContact CG-CH2 4.06Å; F294-W296 AromaticContact CG-CZ2 3.52Å; F294-W296 HydrophobicContact CG-CZ2 3.52Å; F294-W296 PolarHBondContact O-N 3.37Å; F294-W296 VanDerWaalsContact O-N 3.13Å; F294-E297 HydrophobicContact CB-CG 4.31Å; F294-E297 WeakPolarHBondContact CB-OE1 3.45Å; F294-E297 WeakPolarHBondContact CD2-OE1 3.36Å; F294-E297 PolarHBondContact N-OE1 2.78Å; F294-E297 WeakPolarHBondContact O-CB 3.48Å; F294-E297 PolarHBondContact O-N 3.2Å; F294-G300 WeakPolarHBondContact O-CA 3.43Å
295E90.6Very high83.1Confident8 Ų881.7 Ų81.74%0.03741%0.412CS..THydrogen-bonded Turntrans-64.2-18.6-174.462.3-158.870.300114.5L111 S112 T115 D302 Y303L111-E295 VanDerWaalsContact CA-OE2 3.31Å; L111-E295 WeakPolarHBondContact CA-OE2 3.43Å; L111-E295 HydrophobicContact CD2-CG 4.48Å; L111-E295 WeakPolarHBondContact CD2-OE2 3.45Å; S112-E295 WeakPolarHBondContact CB-OE1 3.33Å; S112-E295 PolarHBondContact N-OE1 3.1Å; S112-E295 PolarHBondContact OG-OE1 2.69Å; T115-E295 WeakPolarHBondContact CB-OE1 3.31Å; T115-E295 PolarHBondContact OG1-OE1 2.72Å; E295-D302 HydrophobicContact CB-CB 4.11Å; E295-D302 CarbonylContact O-C 3.57Å; E295-Y303 PolarHBondContact O-N 3.21Å
296W89Confident80.9Confident31 Ų3179.4 Ų79.412%0.11740%0.402CS..THydrogen-bonded Turntrans-91.9-3.1172.156.176.2000114.4L99 L102 L111 T115 I119 V147 F294 T306L99-W296 HydrophobicContact CD2-CH2 4.18Å; L102-W296 HydrophobicContact CB-CD2 4.38Å; L102-W296 HydrophobicContact CB-CE3 3.93Å; L102-W296 HydrophobicContact CB-CZ3 4.03Å; L102-W296 HydrophobicContact CD1-CD2 3.98Å; L102-W296 HydrophobicContact CD1-CE3 4.22Å; L102-W296 HydrophobicContact CD1-CH2 3.99Å; L102-W296 HydrophobicContact CD1-CZ2 3.77Å; L102-W296 HydrophobicContact CD1-CZ3 4.22Å; L102-W296 HydrophobicContact CD2-CB 4.05Å; L102-W296 HydrophobicContact CD2-CD2 3.75Å; L102-W296 HydrophobicContact CD2-CE3 4.12Å; L102-W296 HydrophobicContact CD2-CG 3.7Å; L102-W296 HydrophobicContact CG-CD2 4.25Å; L102-W296 HydrophobicContact CG-CE3 4.31Å; L111-W296 HydrophobicContact CD1-CZ3 4.33Å; L111-W296 HydrophobicContact CD2-CZ3 4.02Å; T115-W296 HydrophobicContact CG2-CH2 3.78Å; T115-W296 HydrophobicContact CG2-CZ3 3.75Å; I119-W296 HydrophobicContact CD1-CH2 4.1Å; V147-W296 HydrophobicContact CG1-CZ2 3.8Å; F294-W296 HydrophobicContact CB-CD2 3.88Å; F294-W296 VanDerWaalsContact CB-CE2 3.42Å; F294-W296 HydrophobicContact CB-CE3 4.37Å; F294-W296 HydrophobicContact CB-CG 4.4Å; F294-W296 HydrophobicContact CB-CH2 4.1Å; F294-W296 HydrophobicContact CB-CZ2 3.54Å; F294-W296 HydrophobicContact CB-CZ3 4.48Å; F294-W296 HydrophobicContact CD1-CH2 4.13Å; F294-W296 HydrophobicContact CD1-CZ2 4.04Å; F294-W296 AromaticContact CD2-CZ2 3.79Å; F294-W296 HydrophobicContact CD2-CZ2 3.79Å; F294-W296 HydrophobicContact CE2-CZ2 4.5Å; F294-W296 AromaticContact CG-CE2 3.92Å; F294-W296 HydrophobicContact CG-CH2 4.06Å; F294-W296 AromaticContact CG-CZ2 3.52Å; F294-W296 HydrophobicContact CG-CZ2 3.52Å; F294-W296 PolarHBondContact O-N 3.37Å; F294-W296 VanDerWaalsContact O-N 3.13Å; W296-T306 HydrophobicContact CB-CG2 3.78Å
297E89.3Confident78.2Confident22 Ų2275.6 Ų75.610%0.10340%0.395CS..SBendtrans-90.5157176.6-71.1176.6-104.300111.6R155 P293 F294 G299 G300 Y303R155-E297 VanDerWaalsContact CG-OE1 3.29Å; R155-E297 WeakPolarHBondContact CG-OE1 3.4Å; R155-E297 WeakPolarHBondContact CG-OE2 3.21Å; R155-E297 IonicContact CZ-OE2 2.78Å; R155-E297 IonicContact NE-OE1 3.75Å; R155-E297 IonicContact NE-OE2 2.74Å; R155-E297 PolarHBondContact NE-OE2 3.36Å; R155-E297 IonicContact NH2-OE2 3.58Å; R155-E297 PolarHBondContact NH2-OE2 3.12Å; P293-E297 HydrophobicContact CB-CB 3.83Å; F294-E297 HydrophobicContact CB-CG 4.31Å; F294-E297 WeakPolarHBondContact CB-OE1 3.45Å; F294-E297 WeakPolarHBondContact CD2-OE1 3.36Å; F294-E297 PolarHBondContact N-OE1 2.78Å; F294-E297 WeakPolarHBondContact O-CB 3.48Å; F294-E297 PolarHBondContact O-N 3.2Å; E297-G299 PolarHBondContact O-N 3.38Å; E297-G300 WeakPolarHBondContact O-CA 3.47Å; E297-G300 PolarHBondContact O-N 3.2Å; E297-Y303 VanDerWaalsContact O-CB 3.29Å; E297-Y303 WeakPolarHBondContact O-CB 3.42Å; E297-Y303 WeakPolarHBondContact O-CD2 3.46Å
298E79.5Confident75.2Confident158 Ų15878.2 Ų78.274%0.73839%0.394SS*.THydrogen-bonded Turntrans-57.4125.6173.1-170.4173-174.300110.6G300 Y303E298-G300 VanDerWaalsContact C-N 3.34Å; E298-Y303 VanDerWaalsContact CA-CD2 3.44Å; E298-Y303 VanDerWaalsContact CA-CE2 3.47Å; E298-Y303 HydrophobicContact CB-CD1 4.46Å; E298-Y303 HydrophobicContact CB-CD2 4.32Å; E298-Y303 HydrophobicContact CB-CE1 4.04Å; E298-Y303 HydrophobicContact CB-CE2 3.85Å; E298-Y303 HydrophobicContact CG-CD1 4.32Å; E298-Y303 HydrophobicContact CG-CE1 3.81Å; E298-Y303 VanDerWaalsContact N-CD2 3.28Å; E298-Y303 VanDerWaalsContact N-CE2 3.34Å
299G80.3Confident72.3Confident63 Ų6380 Ų8065%0.64941%0.413SS*.THydrogen-bonded Turntrans85.9-3.3-172.600000115.1P293 E297P293-G299 WeakPolarHBondContact CG-O 3.48Å; E297-G299 PolarHBondContact O-N 3.38Å
300G78Confident69.5Low12 Ų1277.2 Ų77.212%0.12441%0.412CS..SBendtrans-68.1152.6167.700000112.1F294 E297 E298 D302 Y303F294-G300 WeakPolarHBondContact O-CA 3.43Å; E297-G300 WeakPolarHBondContact O-CA 3.47Å; E297-G300 PolarHBondContact O-N 3.2Å; E298-G300 VanDerWaalsContact C-N 3.34Å; G300-D302 PolarHBondContact O-N 3.02Å; G300-D302 VanDerWaalsContact O-N 3.13Å; G300-Y303 WeakPolarHBondContact O-CB 3.1Å; G300-Y303 PolarHBondContact O-N 3.31Å; G300-Y303 VanDerWaalsContact O-N 3.16Å
301E72Confident66.6Low169 Ų16981 Ų8179%0.7943%0.426SS*.THydrogen-bonded Turntrans-53.2-36.3-177.4-67.4-176.916400112.5
302D64.4Low63.8Low35 Ų3584.1 Ų84.119%0.18744%0.435CS..THydrogen-bonded Turntrans-108.412.5-176.1-63-47.6000114.5P107 E295 G300 K304 Y305P107-D302 HydrophobicContact CG-CB 4.24Å; E295-D302 HydrophobicContact CB-CB 4.11Å; E295-D302 CarbonylContact O-C 3.57Å; G300-D302 PolarHBondContact O-N 3.02Å; G300-D302 VanDerWaalsContact O-N 3.13Å; D302-K304 PolarHBondContact O-N 3.29Å; D302-Y305 HydrophobicContact CB-CD2 3.97Å; D302-Y305 PolarHBondContact O-N 2.92Å
303Y58.4Low60.8Low73 Ų7393.1 Ų93.129%0.28647%0.469SS..Hα-helixtrans-52-34.8-176-178.2-117.3000112.6E295 E297 E298 G300 Y305 T306 T307E295-Y303 PolarHBondContact O-N 3.21Å; E297-Y303 VanDerWaalsContact O-CB 3.29Å; E297-Y303 WeakPolarHBondContact O-CB 3.42Å; E297-Y303 WeakPolarHBondContact O-CD2 3.46Å; E298-Y303 VanDerWaalsContact CA-CD2 3.44Å; E298-Y303 VanDerWaalsContact CA-CE2 3.47Å; E298-Y303 HydrophobicContact CB-CD1 4.46Å; E298-Y303 HydrophobicContact CB-CD2 4.32Å; E298-Y303 HydrophobicContact CB-CE1 4.04Å; E298-Y303 HydrophobicContact CB-CE2 3.85Å; E298-Y303 HydrophobicContact CG-CD1 4.32Å; E298-Y303 HydrophobicContact CG-CE1 3.81Å; E298-Y303 VanDerWaalsContact N-CD2 3.28Å; E298-Y303 VanDerWaalsContact N-CE2 3.34Å; G300-Y303 WeakPolarHBondContact O-CB 3.1Å; G300-Y303 PolarHBondContact O-N 3.31Å; G300-Y303 VanDerWaalsContact O-N 3.16Å; Y303-Y305 VanDerWaalsContact C-N 3.26Å; Y303-Y305 PolarHBondContact O-N 3.25Å; Y303-T306 PolarHBondContact O-N 2.68Å; Y303-T306 PolarHBondContact O-OG1 3.5Å; Y303-T307 HydrophobicContact CD2-CG2 4.36Å; Y303-T307 HydrophobicContact CE1-CG2 4.32Å; Y303-T307 HydrophobicContact CE2-CG2 3.77Å; Y303-T307 PolarHBondContact O-N 3.09Å; Y303-T307 PolarHBondContact O-OG1 3.31Å; Y303-T307 VanDerWaalsContact O-OG1 3.1Å
304K54.4Low58.3Low168 Ų16895.7 Ų95.773%0.7348%0.484SS*.Hα-helixtrans-59.1-35.2178-67-173.8-178.8177.70112.8D302 I308D302-K304 PolarHBondContact O-N 3.29Å; K304-I308 WeakPolarHBondContact O-CG1 2.98Å; K304-I308 PolarHBondContact O-N 3.06Å
305Y49.8Very low56.2Low140 Ų140102.1 Ų102.155%0.54951%0.514SS..Hα-helixtrans-78.4-33.7-177.9-62.2-74.4000112.2P107 D302 Y303 T307 I308P107-Y305 HydrophobicContact CG-CD2 3.79Å; P107-Y305 HydrophobicContact CG-CE2 4.27Å; P107-Y305 HydrophobicContact CG-CG 4.05Å; D302-Y305 HydrophobicContact CB-CD2 3.97Å; D302-Y305 PolarHBondContact O-N 2.92Å; Y303-Y305 VanDerWaalsContact C-N 3.26Å; Y303-Y305 PolarHBondContact O-N 3.25Å; Y305-T307 VanDerWaalsContact C-N 3.31Å; Y305-T307 PolarHBondContact O-N 2.79Å; Y305-I308 HydrophobicContact CD1-CD1 4.24Å
306T50Low54.3Low61 Ų61105.6 Ų105.637%0.37454%0.543SS..Hα-helixtrans-73-23.3177.7510000113.5W296 Y303W296-T306 HydrophobicContact CB-CG2 3.78Å; Y303-T306 PolarHBondContact O-N 2.68Å; Y303-T306 PolarHBondContact O-OG1 3.5Å
307T39.7Very low52.7Low67 Ų67106.4 Ų106.441%0.41155%0.553SS.*THydrogen-bonded Turntrans-107.46.2-179.557.10000115Y303 Y305 P309Y303-T307 HydrophobicContact CD2-CG2 4.36Å; Y303-T307 HydrophobicContact CE1-CG2 4.32Å; Y303-T307 HydrophobicContact CE2-CG2 3.77Å; Y303-T307 PolarHBondContact O-N 3.09Å; Y303-T307 PolarHBondContact O-OG1 3.31Å; Y303-T307 VanDerWaalsContact O-OG1 3.1Å; Y305-T307 VanDerWaalsContact C-N 3.31Å; Y305-T307 PolarHBondContact O-N 2.79Å; T307-P309 WeakPolarHBondContact O-CD 3.29Å
308I33.1Very low51.6Low115 Ų115106.7 Ų106.759%0.5956%0.555SS**  trans-58.6109.6175.5-54.4-173.9000107.4K304 Y305 S310K304-I308 WeakPolarHBondContact O-CG1 2.98Å; K304-I308 PolarHBondContact O-N 3.06Å; Y305-I308 HydrophobicContact CD1-CD1 4.24Å; I308-S310 PolarHBondContact O-N 3.5Å
309P35.3Very low50.8Low101 Ų10199.6 Ų99.666%0.65652%0.523SS*.  trans-74.4108.7-169.224.8-23.9000106.9T307 K311T307-P309 WeakPolarHBondContact O-CD 3.29Å; P309-K311 PolarHBondContact O-N 3.02Å
310S35.3Very low50.6Low87 Ų8796.6 Ų96.661%0.60849%0.492SS*.  trans-66.861.9159.743.90000109.6I308 K312 V314I308-S310 PolarHBondContact O-N 3.5Å; S310-K312 PolarHBondContact O-N 2.9Å; S310-V314 VanDerWaalsContact OG-CG2 3.23Å; S310-V314 WeakPolarHBondContact OG-CG2 3.46Å
311K31.8Very low50.2Low209 Ų209101.9 Ų101.991%0.90951%0.513SS*.SBendtrans38.117.7171.3-82.1-168.6175.8-177.80119.2P309P309-K311 PolarHBondContact O-N 3.02Å
312K30.5Very low50Low176 Ų17694.7 Ų94.777%0.76548%0.481SS*.SBendtrans-139.6144.3166.7-73.1-176.3175.9179.10105.5S310 V314S310-K312 PolarHBondContact O-N 2.9Å; K312-V314 VanDerWaalsContact O-CG2 3.3Å; K312-V314 WeakPolarHBondContact O-CG2 3.15Å; K312-V314 PolarHBondContact O-N 3.22Å
313K30.1Very low50.3Low216 Ų21693 Ų9394%0.93947%0.473SS*.  trans-54.394.3164-83.6178.4169.3-178.60106.4E315K313-E315 PolarHBondContact O-N 3.43Å
314V39.2Very low50.9Low95 Ų9590.4 Ų90.458%0.57646%0.463SS*.  trans-76.5110179-174.60000104.7S310 K312 A316S310-V314 VanDerWaalsContact OG-CG2 3.23Å; S310-V314 WeakPolarHBondContact OG-CG2 3.46Å; K312-V314 VanDerWaalsContact O-CG2 3.3Å; K312-V314 WeakPolarHBondContact O-CG2 3.15Å; K312-V314 PolarHBondContact O-N 3.22Å; V314-A316 PolarHBondContact O-N 2.94Å
315E49.4Very low51.4Low139 Ų13985.3 Ų85.365%0.6545%0.452SS*.PPolyproline II helixtrans-46.8136.5165.8-71.4177.3168.600108.5Q22 K313Q22-E315 PolarHBondContact NE2-OE2 3.46Å; K313-E315 PolarHBondContact O-N 3.43Å
316A51.6Low52Low80 Ų8080.9 Ų80.966%0.66144%0.437SS*.PPolyproline II helixtrans-48.9137.118000000110.3V314 N318V314-A316 PolarHBondContact O-N 2.94Å; A316-N318 PolarHBondContact O-N 3.08Å
317P55.4Low52.6Low49 Ų4980.6 Ų80.632%0.31843%0.431SS..PPolyproline II helixtrans-52.5126.2-177.1-25.131.8000111.2S97 D101S97-P317 WeakPolarHBondContact CB-O 3.34Å; S97-P317 PolarHBondContact OG-O 2.85Å; D101-P317 HydrophobicContact CB-CB 4.28Å
318N66.1Low53.6Low27 Ų2786.2 Ų86.214%0.14445%0.45CS..PPolyproline II helixtrans-74.1117.8-171.3163.88.1000111.6L24 A316 Y320 E321L24-N318 WeakPolarHBondContact CA-ND2 3.26Å; L24-N318 VanDerWaalsContact CB-ND2 3.3Å; L24-N318 WeakPolarHBondContact CB-ND2 3.48Å; L24-N318 HydrophobicContact CD2-CB 4.47Å; L24-N318 WeakPolarHBondContact CD2-ND2 3.43Å; L24-N318 PolarHBondContact O-ND2 3.09Å; A316-N318 PolarHBondContact O-N 3.08Å; N318-Y320 PolarHBondContact O-N 3.44Å; N318-Y320 VanDerWaalsContact O-N 3.13Å; N318-Y320 PolarHBondContact OD1-N 3.34Å; N318-E321 HydrophobicContact CB-CB 4.5Å; N318-E321 PolarHBondContact O-N 2.92Å
319P62.4Low55Low9 Ų985.3 Ų85.36%0.05845%0.446CS..Hα-helixtrans-64.3-23.2-172.627.3-38000114.6G96 N98 A146 Q323G96-P319 WeakPolarHBondContact O-CB 3.12Å; G96-P319 WeakPolarHBondContact O-CG 3.35Å; N98-P319 HydrophobicContact CB-CB 3.99Å; N98-P319 WeakPolarHBondContact ND2-CA 3.27Å; N98-P319 PolarHBondContact ND2-O 3.43Å; A146-P319 HydrophobicContact CB-CB 4.28Å; P319-Q323 VanDerWaalsContact O-CB 3.32Å; P319-Q323 WeakPolarHBondContact O-CB 3.46Å
320Y74.9Confident56.2Low0 Ų081.4 Ų81.40%042%0.42CS..Hα-helixtrans-89.6-19.6-174.5-57-78.4000112.2L24 V32 A46 M92 L94 A95 L160 N318 M324L24-Y320 HydrophobicContact CB-CD2 4.41Å; L24-Y320 HydrophobicContact CD1-CD2 3.53Å; L24-Y320 HydrophobicContact CD1-CE2 3.95Å; V32-Y320 HydrophobicContact CB-CG 4.13Å; V32-Y320 HydrophobicContact CG1-CD1 4.01Å; V32-Y320 HydrophobicContact CG1-CD2 3.94Å; V32-Y320 HydrophobicContact CG1-CE1 4.45Å; V32-Y320 HydrophobicContact CG1-CE2 4.38Å; V32-Y320 HydrophobicContact CG1-CG 3.72Å; V32-Y320 HydrophobicContact CG2-CD1 4.23Å; V32-Y320 HydrophobicContact CG2-CG 4.15Å; A46-Y320 HydrophobicContact CB-CE2 4.03Å; M92-Y320 HydrophobicContact CE-CE1 3.79Å; L94-Y320 HydrophobicContact CD1-CE2 3.98Å; A95-Y320 PolarHBondContact N-OH 3.13Å; L160-Y320 HydrophobicContact CD1-CE1 4.5Å; N318-Y320 PolarHBondContact O-N 3.44Å; N318-Y320 VanDerWaalsContact O-N 3.13Å; N318-Y320 PolarHBondContact OD1-N 3.34Å; Y320-M324 VanDerWaalsContact O-CB 3.26Å; Y320-M324 WeakPolarHBondContact O-CB 3.39Å; Y320-M324 WeakPolarHBondContact O-CG 3.32Å; Y320-M324 PolarHBondContact O-N 2.97Å
321E71.3Confident57.5Low124 Ų12480.6 Ų80.658%0.57941%0.408SS*.Hα-helixtrans-69.1-56.2-176.9-170.1172.3-177.500111.6L24 N318 Q323 M324 A325L24-E321 WeakPolarHBondContact O-CB 3.32Å; N318-E321 HydrophobicContact CB-CB 4.5Å; N318-E321 PolarHBondContact O-N 2.92Å; E321-Q323 VanDerWaalsContact C-N 3.34Å; E321-Q323 PolarHBondContact O-N 2.97Å; E321-M324 PolarHBondContact O-N 3.16Å; E321-A325 PolarHBondContact O-N 3.42Å
322S68Low59.1Low17 Ų1775.1 Ų75.112%0.11938%0.382CS..Hα-helixtrans-70.5-31.5179.161.50000112.1N98 D101 A325 Q326N98-S322 PolarHBondContact ND2-OG 3.24Å; D101-S322 WeakPolarHBondContact OD1-CB 3.32Å; D101-S322 PolarHBondContact OD1-OG 3.31Å; D101-S322 PolarHBondContact OD2-OG 3.36Å; S322-A325 PolarHBondContact O-N 2.75Å; S322-Q326 WeakPolarHBondContact O-CB 3.28Å; S322-Q326 VanDerWaalsContact O-CG 3.25Å; S322-Q326 WeakPolarHBondContact O-CG 3.43Å; S322-Q326 PolarHBondContact O-N 2.85Å
323Q69.5Low60.3Low0 Ų067.5 Ų67.50%035%0.354CS..Hα-helixtrans-56.1-50.1168.7179.2179.662.600110.9G143 N144 P319 E321 Q326 Q327G143-Q323 WeakPolarHBondContact O-CB 3.33Å; G143-Q323 WeakPolarHBondContact O-CG 3.39Å; G143-Q323 PolarHBondContact O-NE2 2.81Å; N144-Q323 PolarHBondContact OD1-NE2 2.88Å; P319-Q323 VanDerWaalsContact O-CB 3.32Å; P319-Q323 WeakPolarHBondContact O-CB 3.46Å; E321-Q323 VanDerWaalsContact C-N 3.34Å; E321-Q323 PolarHBondContact O-N 2.97Å; Q323-Q326 PolarHBondContact O-N 3Å; Q323-Q327 PolarHBondContact O-N 3.5Å
324M71.2Confident60.9Low19 Ų1964.5 Ų64.59%0.09435%0.348CS..Hα-helixtrans-67.6-35.5179.5-71.2-69.9174.300112.1V32 Y320 E321 Q327V32-M324 HydrophobicContact CG2-CE 3.28Å; V32-M324 HydrophobicContact CG2-CG 4.4Å; Y320-M324 VanDerWaalsContact O-CB 3.26Å; Y320-M324 WeakPolarHBondContact O-CB 3.39Å; Y320-M324 WeakPolarHBondContact O-CG 3.32Å; Y320-M324 PolarHBondContact O-N 2.97Å; E321-M324 PolarHBondContact O-N 3.16Å; M324-Q327 WeakPolarHBondContact O-CB 3.24Å; M324-Q327 PolarHBondContact O-N 3.08Å
325A65.2Low60.9Low60 Ų6069 Ų6950%0.49636%0.36SS..Hα-helixtrans-63.3-41.1174.200000112E321 S322 Q327 K328E321-A325 PolarHBondContact O-N 3.42Å; S322-A325 PolarHBondContact O-N 2.75Å; A325-Q327 PolarHBondContact O-N 3.16Å; A325-K328 WeakPolarHBondContact O-CB 3.5Å; A325-K328 PolarHBondContact O-N 2.93Å
326Q62.5Low60.1Low47 Ų4767 Ų6722%0.2236%0.36CS..Hα-helixtrans-70.2-15.6178.2-72.4173.523.400113.7A100 S322 Q323 K328 D329A100-Q326 VanDerWaalsContact CB-NE2 3.32Å; S322-Q326 WeakPolarHBondContact O-CB 3.28Å; S322-Q326 VanDerWaalsContact O-CG 3.25Å; S322-Q326 WeakPolarHBondContact O-CG 3.43Å; S322-Q326 PolarHBondContact O-N 2.85Å; Q323-Q326 PolarHBondContact O-N 3Å; Q326-K328 PolarHBondContact O-N 3.01Å; Q326-K328 VanDerWaalsContact O-N 3.15Å; Q326-D329 PolarHBondContact O-N 3.19Å
327Q62.9Low58.9Low55 Ų5570.6 Ų70.626%0.25737%0.369SS..G310 helixtrans-62.1-18172.3-70.4-173.9-5.500112.4D161 Q323 M324 A325 D329 V330D161-Q327 PolarHBondContact OD2-NE2 2.66Å; Q323-Q327 PolarHBondContact O-N 3.5Å; M324-Q327 WeakPolarHBondContact O-CB 3.24Å; M324-Q327 PolarHBondContact O-N 3.08Å; A325-Q327 PolarHBondContact O-N 3.16Å; Q327-D329 VanDerWaalsContact C-N 3.32Å; Q327-V330 WeakPolarHBondContact O-CB 3.41Å; Q327-V330 PolarHBondContact O-N 3.38Å
328K60.3Low57.7Low185 Ų18573.7 Ų73.780%0.80439%0.392SS*.G310 helixtrans-67.8-28.9172.7-66.6-177.9179.9177.50113.3A325 Q326 V330A325-K328 WeakPolarHBondContact O-CB 3.5Å; A325-K328 PolarHBondContact O-N 2.93Å; Q326-K328 PolarHBondContact O-N 3.01Å; Q326-K328 VanDerWaalsContact O-N 3.15Å; K328-V330 VanDerWaalsContact C-N 3.28Å; K328-V330 PolarHBondContact O-N 3.36Å
329D61.8Low55.9Low97 Ų9785.1 Ų85.152%0.51944%0.444SS..G310 helixtrans-84.4-3.3178-62.7-30.7000112.8Q326 Q327Q326-D329 PolarHBondContact O-N 3.19Å; Q327-D329 VanDerWaalsContact C-N 3.32Å
330V60.2Low55.5Low18 Ų1888.9 Ų88.911%0.10946%0.463CS..BIsolated β-bridgetrans-89.5112.2-177.6178.40000109.7L164 Q327 K328 R332L164-V330 HydrophobicContact CD1-CG1 3.53Å; Q327-V330 WeakPolarHBondContact O-CB 3.41Å; Q327-V330 PolarHBondContact O-N 3.38Å; K328-V330 VanDerWaalsContact C-N 3.28Å; K328-V330 PolarHBondContact O-N 3.36Å; V330-R332 PolarHBondContact O-N 3.09Å
331I62.8Low54.5Low70 Ų7093.6 Ų93.636%0.35949%0.488SS..  trans-82.2122.9176.6-64.5177.6000109.6F185 R186 G187 I189F185-I331 HydrophobicContact CB-CG2 4.36Å; F185-I331 HydrophobicContact CD1-CB 3.85Å; F185-I331 HydrophobicContact CD1-CG2 4.31Å; F185-I331 HydrophobicContact CE1-CB 4.48Å; F185-I331 VanDerWaalsContact O-O 3.06Å; R186-I331 WeakPolarHBondContact CA-O 3.47Å; G187-I331 PolarHBondContact O-N 3.19Å; I189-I331 HydrophobicContact CD1-CD1 3.72Å; I189-I331 HydrophobicContact CD1-CG1 4.48Å; I189-I331 HydrophobicContact CG1-CD1 4.18Å
332R65.8Low53.6Low95 Ų9591.9 Ų91.936%0.35848%0.483SS..  trans-102.383.7167.1-61.6-179.5-175.1-174.30.8108.4L164 V330 D334L164-R332 HydrophobicContact CD2-CG 4.34Å; V330-R332 PolarHBondContact O-N 3.09Å; R332-D334 PolarHBondContact O-N 2.79Å
333G55.1Low52.7Low16 Ų1696.3 Ų96.317%0.16550%0.504CS..  trans-47.5134.6179.700000114.5F185 R186F185-G333 PolarHBondContact O-N 3.46Å; R186-G333 PolarHBondContact NH1-O 3.23Å; R186-G333 PolarHBondContact NH2-O 2.8Å
334D44.2Very low51.7Low152 Ų152102.3 Ų102.381%0.81354%0.536SS*.  trans-72.8165.8-164.8-99.9-37.8000117.2R332 S336R332-D334 PolarHBondContact O-N 2.79Å; D334-S336 VanDerWaalsContact C-N 3.34Å; D334-S336 PolarHBondContact O-N 3.33Å
335K38.7Very low50.4Low191 Ų191107.9 Ų107.983%0.8357%0.565SS**  trans-69.264.7179.6-64.3-179.6172-173.50114.6
336S31.4Very low49.3Very low95 Ų95111.3 Ų111.366%0.66457%0.57SS**  trans-119.598.2163.451.60000109.7D334D334-S336 VanDerWaalsContact C-N 3.34Å; D334-S336 PolarHBondContact O-N 3.33Å
337N27.8Very low48.3Very low156 Ų156116.2 Ų116.283%0.83460%0.597SS**  trans153.659.6155.5-77.7-4.2000109.3
338S29.9Very low47.1Very low115 Ų115121.3 Ų121.380%0.80463%0.625SS**  trans-109.892.5143.252.40000104.7
339Q27.1Very low45.9Very low266 Ų266115.5 Ų115.5100%1.24361%0.609SS**  trans-63.80149.4-78.6-177.3-15.200108.2

Retrieved 339 of 339 residues in 75.2 ms (Link to these results)

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