A0A077ZCK3_TRITR Loading...

ABC tran and ABC2 membrane domain containing prot ein

AlphaFold DB , UniProt , Accession A0A077ZCK3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 625 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
1M30.1Very low32Very low245 Ų245125.2 Ų125.2100%1.20764%0.635SS**  048.20-153.8177-162.900111
2F24.6Very low32.5Very low213 Ų213119.7 Ų119.793%0.93462%0.616SS**  trans-9890.1172.6-80.8-83.9000107.5R4F2-R4 PolarHBondContact O-N 3.31Å
3S26.9Very low32.8Very low107 Ų107117.2 Ų117.275%0.74863%0.625SS**  trans-67.3122.6173.969.40000108.9T5S3-T5 PolarHBondContact O-N 2.99Å
4R27.2Very low33.5Very low227 Ų227115.4 Ų115.486%0.85763%0.626SS**  trans-50.2103.9168.7-66175.1175177-2.9109.7F2 C6F2-R4 PolarHBondContact O-N 3.31Å; R4-C6 PolarHBondContact O-N 3.17Å
5T26.5Very low34.9Very low125 Ų125111.8 Ų111.877%0.76761%0.606SS**  trans-72.773.215743.60000107.5S3 Y7S3-T5 PolarHBondContact O-N 2.99Å; T5-Y7 PolarHBondContact O-N 2.9Å
6C29.9Very low36.7Very low96 Ų96112.6 Ų112.665%0.64960%0.598SS**  trans-68.9120.3168.1-82.90000107.6R4 Q8R4-C6 PolarHBondContact O-N 3.17Å; C6-Q8 PolarHBondContact O-N 3.34Å
7Y35.2Very low39.3Very low42 Ų42109.5 Ų109.517%0.16559%0.587CS.*  trans-25115161173.4-101.6000112T5 P9 L141 L145 D197T5-Y7 PolarHBondContact O-N 2.9Å; Y7-P9 HydrophobicContact CD1-CB 4.36Å; Y7-P9 HydrophobicContact CE1-CB 3.72Å; Y7-P9 HydrophobicContact CE1-CG 4.49Å; Y7-P9 VanDerWaalsContact O-CD 3.31Å; Y7-P9 WeakPolarHBondContact O-CD 3.27Å; Y7-L141 HydrophobicContact CE2-CD2 4.26Å; Y7-L145 HydrophobicContact CD2-CD1 4.02Å; Y7-L145 HydrophobicContact CD2-CD2 4.41Å; Y7-L145 HydrophobicContact CE2-CD1 3.83Å; Y7-D197 HydrophobicContact CE1-CB 3.94Å
8Q31.9Very low42Very low181 Ų181103.8 Ų103.885%0.84656%0.557SS**  trans-82.6112.6163.3-80.9-170-22.900107.2C6C6-Q8 PolarHBondContact O-N 3.34Å
9P38.2Very low44.6Very low18 Ų1899 Ų9912%0.11753%0.532CS..  trans-60.5160.1175.420.2-26.1000110.6Y7 F11 R16Y7-P9 HydrophobicContact CD1-CB 4.36Å; Y7-P9 HydrophobicContact CE1-CB 3.72Å; Y7-P9 HydrophobicContact CE1-CG 4.49Å; Y7-P9 VanDerWaalsContact O-CD 3.31Å; Y7-P9 WeakPolarHBondContact O-CD 3.27Å; P9-F11 PolarHBondContact O-N 3.23Å; P9-R16 VanDerWaalsContact CD-NH2 3.3Å
10V42.9Very low47.1Very low92 Ų9294.1 Ų94.156%0.55851%0.506SS*.SBendtrans-56.9-10.5176.1179.40000112.7P142V10-P142 HydrophobicContact CG2-CG 3.67Å
11F38.3Very low49.3Very low31 Ų3189.6 Ų89.614%0.13648%0.482CS..SBendtrans-117.3133.6-175.8-68.4-68.6000110.2P9 D15 V113 F341P9-F11 PolarHBondContact O-N 3.23Å; F11-D15 HydrophobicContact CB-CB 3.68Å; F11-D15 HydrophobicContact CD1-CB 4.07Å; F11-D15 HydrophobicContact CG-CB 4.31Å; F11-V113 HydrophobicContact CE1-CG1 3.69Å; F11-V113 HydrophobicContact CZ-CB 4.38Å; F11-V113 HydrophobicContact CZ-CG1 3.6Å; F11-F341 AromaticContact CE1-CE1 3.47Å; F11-F341 HydrophobicContact CE1-CE1 3.47Å; F11-F341 VanDerWaalsContact CE1-CE1 3.47Å; F11-F341 AromaticContact CE1-CZ 3.6Å; F11-F341 HydrophobicContact CE1-CZ 3.6Å; F11-F341 AromaticContact CZ-CE1 3.71Å; F11-F341 HydrophobicContact CZ-CE1 3.71Å; F11-F341 HydrophobicContact CZ-CZ 4.16Å
12S38.1Very low52.4Low59 Ų5978 Ų7841%0.41342%0.424SS..  trans-63.1164.5177.571.60000111.1S14 D15S12-S14 PolarHBondContact O-N 3.32Å; S12-S14 PolarHBondContact OG-OG 3.28Å; S12-D15 WeakPolarHBondContact CB-OD2 3.45Å; S12-D15 PolarHBondContact N-OD2 2.68Å; S12-D15 WeakPolarHBondContact O-CB 3.37Å; S12-D15 PolarHBondContact O-N 3.43Å; S12-D15 VanDerWaalsContact OG-CG 3.28Å; S12-D15 PolarHBondContact OG-OD2 3Å
13A37.2Very low55.6Low88 Ų8870.2 Ų70.273%0.72739%0.39SS*.G310 helixtrans-58.4-31.1-177.900000113.4D15A13-D15 VanDerWaalsContact C-N 3.34Å
14S42.1Very low58.6Low92 Ų9269.1 Ų69.164%0.64338%0.376SS*.G310 helixtrans-72.5-22173.344.60000113.8S12 R16S12-S14 PolarHBondContact O-N 3.32Å; S12-S14 PolarHBondContact OG-OG 3.28Å; S14-R16 VanDerWaalsContact C-N 3.3Å; S14-R16 PolarHBondContact O-N 2.89Å
15D54.9Low61.7Low61 Ų6158.3 Ų58.333%0.32634%0.335SS..G310 helixtrans-82.8-3.9178.1-67.3-44.2000113.3F11 S12 A13F11-D15 HydrophobicContact CB-CB 3.68Å; F11-D15 HydrophobicContact CD1-CB 4.07Å; F11-D15 HydrophobicContact CG-CB 4.31Å; S12-D15 WeakPolarHBondContact CB-OD2 3.45Å; S12-D15 PolarHBondContact N-OD2 2.68Å; S12-D15 WeakPolarHBondContact O-CB 3.37Å; S12-D15 PolarHBondContact O-N 3.43Å; S12-D15 VanDerWaalsContact OG-CG 3.28Å; S12-D15 PolarHBondContact OG-OD2 3Å; A13-D15 VanDerWaalsContact C-N 3.34Å
16R63.3Low65Low125 Ų12557.3 Ų57.347%0.47232%0.317SS..G310 helixtrans-76.1-27.2-175.1-70.4-172.3178.2-174.2-0.2113.6P9 S14 P199P9-R16 VanDerWaalsContact CD-NH2 3.3Å; S14-R16 VanDerWaalsContact C-N 3.3Å; S14-R16 PolarHBondContact O-N 2.89Å; R16-P199 VanDerWaalsContact O-CB 3.31Å; R16-P199 WeakPolarHBondContact O-CB 3.39Å
17S80.7Confident67.9Low60 Ų6052.7 Ų52.742%0.4229%0.287SS..  trans-92.9106.1177.651.50000110.1N102S17-N102 PolarHBondContact O-ND2 2.93Å; S17-N102 VanDerWaalsContact O-ND2 3.13Å
18V88Confident70.6Confident6 Ų651.5 Ų51.54%0.03628%0.284CS..  trans-114.1110.2-178.1170.60000110.9V101 P199 L200 T231V18-V101 HydrophobicContact CG1-CG1 3.62Å; V18-P199 HydrophobicContact CB-CB 4.17Å; V18-P199 HydrophobicContact CB-CG 4.48Å; V18-P199 HydrophobicContact CG2-CB 3.66Å; V18-P199 HydrophobicContact CG2-CG 3.67Å; V18-L200 HydrophobicContact CG1-CB 4.19Å; V18-L200 HydrophobicContact CG1-CD2 4.29Å; V18-T231 WeakPolarHBondContact O-CB 3.38Å; V18-T231 PolarHBondContact O-OG1 2.84Å
19S92Very high73.2Confident13 Ų1344.9 Ų44.99%0.09126%0.256CS..  trans-81.5139.4164.363.40000110.6A62 V101 N102S19-A62 WeakPolarHBondContact CA-O 3.46Å; S19-V101 CarbonylContact O-C 3.6Å; S19-V101 WeakPolarHBondContact O-CA 3.43Å; S19-N102 PolarHBondContact N-OD1 2.9Å; S19-N102 PolarHBondContact O-N 3.45Å; S19-N102 WeakPolarHBondContact OG-CA 3.4Å; S19-N102 PolarHBondContact OG-OD1 3.31Å
20L94Very high75.2Confident0 Ų046.4 Ų46.40%027%0.267CS..EExtended strand (participates in β ladder)trans-121.7117.7173.8175.375000108.4W22 L61 A62 L85 V99 L100 V101 I110 L200 F202L20-W22 HydrophobicContact CD2-CE3 4.33Å; L20-W22 HydrophobicContact CD2-CZ3 4.15Å; L20-W22 HydrophobicContact CG-CE3 4.21Å; L20-W22 HydrophobicContact CG-CZ3 4.3Å; L20-L61 CarbonylContact O-C 3.52Å; L20-L61 WeakPolarHBondContact O-CA 3.31Å; L20-A62 HydrophobicContact CB-CB 4.28Å; L20-A62 PolarHBondContact N-O 3.37Å; L20-A62 PolarHBondContact O-N 2.91Å; L20-L85 HydrophobicContact CD2-CD1 4.25Å; L20-V99 HydrophobicContact CD1-CG1 3.74Å; L20-L100 WeakPolarHBondContact CA-O 3.36Å; L20-V101 HydrophobicContact CD1-CG2 3.75Å; L20-I110 HydrophobicContact CD1-CD1 3.7Å; L20-L200 HydrophobicContact CB-CD1 4.48Å; L20-L200 HydrophobicContact CB-CD2 4.34Å; L20-L200 HydrophobicContact CD1-CD2 4.39Å; L20-L200 HydrophobicContact CD2-CD2 4.3Å; L20-F202 HydrophobicContact CD2-CE1 3.64Å; L20-F202 HydrophobicContact CD2-CZ 3.49Å; L20-F202 VanDerWaalsContact CD2-CZ 3.49Å
21S94.1Very high76.2Confident1 Ų150.6 Ų50.61%0.00727%0.273CS..EExtended strand (participates in β ladder)trans-117.2149.2173.459.90000111.1G60 V99 L100S21-G60 WeakPolarHBondContact CA-O 3.4Å; S21-V99 WeakPolarHBondContact O-CA 3.49Å; S21-L100 PolarHBondContact N-O 2.78Å; S21-L100 PolarHBondContact O-N 3.32Å
22W94.3Very high77Confident1 Ų157.1 Ų57.10%0.00430%0.301CS..EExtended strand (participates in β ladder)trans-139145.7170.560.396.5000110.4L20 Y59 G60 A62 L68 L81 L85 Q98 V99 F261L20-W22 HydrophobicContact CD2-CE3 4.33Å; L20-W22 HydrophobicContact CD2-CZ3 4.15Å; L20-W22 HydrophobicContact CG-CE3 4.21Å; L20-W22 HydrophobicContact CG-CZ3 4.3Å; W22-Y59 VanDerWaalsContact CD1-C 3.49Å; W22-Y59 VanDerWaalsContact CD1-CA 3.49Å; W22-Y59 PolarHBondContact NE1-O 3.4Å; W22-Y59 CarbonylContact O-C 3.57Å; W22-Y59 WeakPolarHBondContact O-CA 3.25Å; W22-G60 PolarHBondContact N-O 3.01Å; W22-G60 PolarHBondContact O-N 2.91Å; W22-A62 HydrophobicContact CZ3-CB 4.47Å; W22-L68 HydrophobicContact CH2-CD2 3.78Å; W22-L81 HydrophobicContact CZ2-CD2 4.47Å; W22-L85 HydrophobicContact CB-CD2 3.71Å; W22-L85 HydrophobicContact CD2-CD1 4.25Å; W22-L85 HydrophobicContact CD2-CD2 3.64Å; W22-L85 HydrophobicContact CE3-CD1 4.06Å; W22-L85 HydrophobicContact CE3-CD2 3.7Å; W22-L85 HydrophobicContact CG-CD2 3.66Å; W22-L85 HydrophobicContact CH2-CD1 4.38Å; W22-L85 HydrophobicContact CZ3-CD1 4.14Å; W22-Q98 WeakPolarHBondContact CA-O 3.45Å; W22-V99 HydrophobicContact CB-CG2 4.29Å; W22-F261 HydrophobicContact CH2-CE2 4.13Å; W22-F261 HydrophobicContact CZ2-CE2 4.04Å
23F91.6Very high77.1Confident49 Ų4964.7 Ų64.722%0.21532%0.321CS..EExtended strand (participates in β ladder)trans-147.2143.1-178.6-158.2-96.4000111.4L25 Q98F23-L25 PolarHBondContact O-N 3.48Å; F23-L25 VanDerWaalsContact O-N 3.12Å; F23-Q98 PolarHBondContact N-O 2.97Å; F23-Q98 PolarHBondContact O-N 2.75Å
24N90.8Very high77.2Confident84 Ų8465.2 Ų65.245%0.44933%0.325SS..EExtended strand (participates in β ladder)trans48.335.8-175.3-65.5-24.6000112.9R26 C58 G97N24-R26 PolarHBondContact O-N 3.18Å; N24-C58 PolarHBondContact N-O 3.21Å; N24-G97 VanDerWaalsContact O-CA 3.23Å; N24-G97 WeakPolarHBondContact O-CA 3.08Å
25L92.5Very high76.8Confident1 Ų165.4 Ų65.41%0.00533%0.326CS..EExtended strand (participates in β ladder)trans-75.8111.9-175.6-164.777.8000109.5F23 D57 C58 L81 A84 L85 V95 T96 V99F23-L25 PolarHBondContact O-N 3.48Å; F23-L25 VanDerWaalsContact O-N 3.12Å; L25-D57 PolarHBondContact O-N 3.36Å; L25-C58 HydrophobicContact CB-CB 4.36Å; L25-C58 PolarHBondContact N-O 2.89Å; L25-C58 PolarHBondContact O-N 2.86Å; L25-L81 HydrophobicContact CD2-CD1 3.5Å; L25-A84 HydrophobicContact CD2-CB 3.92Å; L25-L85 HydrophobicContact CD2-CD2 4.17Å; L25-V95 HydrophobicContact CD1-CG1 3.87Å; L25-T96 WeakPolarHBondContact CA-O 3.5Å; L25-V99 HydrophobicContact CD1-CG2 3.62Å
26R94.3Very high75.8Confident103 Ų10371.9 Ų71.939%0.38935%0.351SS..EExtended strand (participates in β ladder)trans-118.7136.1179.4-177.5-176.8-65.5-165-3.8109.6N24 T53 L55 D57 V95 T96N24-R26 PolarHBondContact O-N 3.18Å; R26-T53 HydrophobicContact CG-CG2 3.89Å; R26-L55 WeakPolarHBondContact CA-O 3.14Å; R26-L55 VanDerWaalsContact CG-O 3.3Å; R26-L55 WeakPolarHBondContact CG-O 3.29Å; R26-D57 IonicContact CZ-OD1 2.91Å; R26-D57 IonicContact CZ-OD2 3.91Å; R26-D57 IonicContact NE-OD1 3.23Å; R26-D57 PolarHBondContact NE-OD1 3.35Å; R26-D57 IonicContact NE-OD2 2.68Å; R26-D57 VanDerWaalsContact NH2-CG 3.3Å; R26-D57 IonicContact NH2-OD1 3.33Å; R26-D57 PolarHBondContact NH2-OD1 3.42Å; R26-D57 IonicContact NH2-OD2 3.63Å; R26-D57 PolarHBondContact NH2-OD2 3Å; R26-V95 WeakPolarHBondContact O-CA 3.5Å; R26-T96 WeakPolarHBondContact CB-OG1 3.48Å; R26-T96 PolarHBondContact N-O 3.38Å; R26-T96 PolarHBondContact O-N 3.03Å
27V92.2Very high74.3Confident0 Ų077 Ų770%037%0.371CS..EExtended strand (participates in β ladder)trans-128.6121.9-176.4172.60000108.7T53 I54 L55 A84 M93 S94 V95V27-T53 CarbonylContact O-C 3.49Å; V27-I54 HydrophobicContact CG1-CB 4.41Å; V27-I54 PolarHBondContact O-N 2.86Å; V27-L55 HydrophobicContact CB-CB 3.81Å; V27-L55 HydrophobicContact CB-CD1 4.01Å; V27-L55 HydrophobicContact CB-CG 3.87Å; V27-L55 HydrophobicContact CG2-CB 4.06Å; V27-L55 HydrophobicContact CG2-CD1 3.54Å; V27-L55 HydrophobicContact CG2-CG 3.98Å; V27-L55 PolarHBondContact N-O 3.19Å; V27-L55 VanDerWaalsContact N-O 3.08Å; V27-L55 PolarHBondContact O-N 3.14Å; V27-A84 HydrophobicContact CG2-CB 3.75Å; V27-M93 HydrophobicContact CG1-CE 3.68Å; V27-M93 HydrophobicContact CG1-CG 3.36Å; V27-M93 HydrophobicContact CG1-SD 3.28Å; V27-M93 WeakPolarHBondContact CG1-SD 3.45Å; V27-M93 HydrophobicContact CG2-CE 4.1Å; V27-S94 WeakPolarHBondContact CA-O 3.39Å; V27-V95 HydrophobicContact CG2-CG1 4.26Å; V27-V95 HydrophobicContact CG2-CG2 4.2Å
28S91Very high71.9Confident16 Ų1679 Ų7911%0.11239%0.385CS..EExtended strand (participates in β ladder)trans-125.3134.9177.8-55.60000110.3I52 T53 M93 S94S28-I52 CarbonylContact C-O 3.24Å; S28-I52 WeakPolarHBondContact CA-O 3.16Å; S28-T53 PolarHBondContact OG-OG1 3.38Å; S28-M93 CarbonylContact O-C 3.52Å; S28-M93 WeakPolarHBondContact O-CA 3.49Å; S28-S94 PolarHBondContact N-O 3.44Å; S28-S94 PolarHBondContact O-N 3.27Å
29V87.2Confident69.3Low43 Ų4387.5 Ų87.526%0.26142%0.421SS..EExtended strand (participates in β ladder)trans-109.1127.6178.1174.30000109.2R31 I52 I54 N92 M93V29-R31 PolarHBondContact O-N 3.3Å; V29-I52 PolarHBondContact N-O 2.95Å; V29-I52 PolarHBondContact O-N 3.38Å; V29-I54 HydrophobicContact CB-CD1 4.07Å; V29-I54 HydrophobicContact CG2-CD1 3.36Å; V29-I54 HydrophobicContact CG2-CG1 4.22Å; V29-N92 WeakPolarHBondContact CA-O 3.48Å; V29-M93 HydrophobicContact CG2-CB 4.31Å; V29-M93 HydrophobicContact CG2-CG 4.02Å
30S79.2Confident66.5Low50 Ų5094.5 Ų94.535%0.3546%0.457SS..EExtended strand (participates in β ladder)trans-79.9114.9176.4-159.40000109.9K32 D51 N92S30-K32 VanDerWaalsContact C-N 3.29Å; S30-K32 PolarHBondContact O-N 2.8Å; S30-D51 WeakPolarHBondContact CA-OD1 3.14Å; S30-D51 WeakPolarHBondContact CB-OD1 3.07Å; S30-D51 PolarHBondContact OG-OD1 3.5Å; S30-N92 PolarHBondContact N-O 3.44Å
31R65.3Low63.7Low180 Ų18098 Ų9868%0.67949%0.493SS*.  trans-69.892.3166.5-88.7-172.8175.4169.93.1107.8V29 R33 I52V29-R31 PolarHBondContact O-N 3.3Å; R31-R33 VanDerWaalsContact C-N 3.3Å; R31-R33 PolarHBondContact O-N 3.16Å; R31-I52 HydrophobicContact CG-CD1 4.04Å; R31-I52 VanDerWaalsContact CZ-CD1 3.44Å; R31-I52 VanDerWaalsContact NE-CD1 3.26Å
32K53.6Low60.7Low168 Ų168104.8 Ų104.873%0.7354%0.535SS*.  trans-60.2100.8157.8-80.3-178.8-179.4164.40106.6S30 A34S30-K32 VanDerWaalsContact C-N 3.29Å; S30-K32 PolarHBondContact O-N 2.8Å; K32-A34 PolarHBondContact O-N 3.17Å
33R39.9Very low57.7Low218 Ų218116.4 Ų116.482%0.82358%0.579SS**  trans-50.6119.6162.2-87.9-176.5173169.2-0.6105.3R31 S35R31-R33 VanDerWaalsContact C-N 3.3Å; R31-R33 PolarHBondContact O-N 3.16Å; R33-S35 PolarHBondContact O-N 2.9Å
34A39.4Very low54.9Low99 Ų99119.8 Ų119.882%0.81861%0.609SS**  trans-53.6100.1164.300000105.6K32 K36K32-A34 PolarHBondContact O-N 3.17Å; A34-K36 PolarHBondContact O-N 3.19Å
35S34.3Very low52.1Low95 Ų95120.5 Ų120.566%0.66462%0.62SS**  trans-67.395.4176.8174.90000105.2R33 R37R33-S35 PolarHBondContact O-N 2.9Å; S35-R37 PolarHBondContact O-N 3.04Å; S35-R37 VanDerWaalsContact O-N 3.1Å
36K34.4Very low49.4Very low197 Ų197128 Ų12886%0.85766%0.66SS**  trans-47.9117.7148-86.6-178.4174.2178.70105A34 S38A34-K36 PolarHBondContact O-N 3.19Å; K36-S38 PolarHBondContact O-N 3.27Å
37R32.3Very low46.7Very low233 Ų233132.5 Ų132.588%0.87968%0.683SS**  trans-20.499.7166.7-80.3171.3164.8169.4-4.8111.3S35S35-R37 PolarHBondContact O-N 3.04Å; S35-R37 VanDerWaalsContact O-N 3.1Å
38S30.6Very low44.3Very low103 Ų103140.6 Ų140.672%0.7272%0.721SS**  trans-100.877.5153.567.50000106.7K36 L40K36-S38 PolarHBondContact O-N 3.27Å; S38-L40 VanDerWaalsContact C-N 3.35Å; S38-L40 PolarHBondContact O-N 3.26Å
39K33.3Very low42.4Very low183 Ų183143.3 Ų143.380%0.79674%0.739SS**  trans-78.692.4153.9-85.1-172.3173.6-173.90106.1
40L32.8Very low41.3Very low160 Ų160146.6 Ų146.684%0.83876%0.755SS**SBendtrans170.9138.6136.7-120.366000107.9S38S38-L40 VanDerWaalsContact C-N 3.35Å; S38-L40 PolarHBondContact O-N 3.26Å
41G33.8Very low41.2Very low74 Ų74147.4 Ų147.476%0.76376%0.756SS**  trans-58.2135.7-159.400000114.7
42T31.1Very low42.2Very low144 Ų144142.3 Ų142.388%0.88374%0.741SS**  trans-152.2139.5144.726.40000108.2
43R32.7Very low44Very low244 Ų244137 Ų13792%0.92172%0.723SS**  trans-52.2140.8-171.2-86.2165.1153.1159.6-8.6112.9S45R43-S45 PolarHBondContact O-N 2.96Å
44S31.8Very low46.5Very low121 Ų121129.2 Ų129.285%0.84670%0.697SS**  trans-26.696.3158.6173.10000113.6
45S32.8Very low49.1Very low99 Ų99124.5 Ų124.569%0.69266%0.658SS**  trans-92.8140.6151.464.50000107.9R43 K47R43-S45 PolarHBondContact O-N 2.96Å; S45-K47 PolarHBondContact O-N 3.25Å
46N34.8Very low51.9Low157 Ų157122.5 Ų122.584%0.8464%0.638SS**  trans-44106.9175-88.1-14.9000109.9E48N46-E48 VanDerWaalsContact C-N 3.29Å; N46-E48 PolarHBondContact O-N 3.4Å
47K38.5Very low54.7Low199 Ų199116.1 Ų116.187%0.86561%0.613SS**  trans-69.694166.4-92.2177.1175.2170.20106.3S45 S49S45-K47 PolarHBondContact O-N 3.25Å; K47-S49 PolarHBondContact O-N 3.06Å
48E41.9Very low57.7Low170 Ų170105 Ų10579%0.79457%0.571SS**  trans-55107.3155-76.1-179.2160.300106.6N46 N50N46-E48 VanDerWaalsContact C-N 3.29Å; N46-E48 PolarHBondContact O-N 3.4Å; E48-N50 PolarHBondContact O-N 2.71Å
49S51.6Low60.7Low72 Ų72100.4 Ų100.450%0.50354%0.538SS..  trans-63.9109.416954.40000106.2K47 D51K47-S49 PolarHBondContact O-N 3.06Å; S49-D51 WeakPolarHBondContact CB-OD1 3.38Å; S49-D51 WeakPolarHBondContact CB-OD2 3.41Å; S49-D51 PolarHBondContact O-N 3.04Å; S49-D51 PolarHBondContact OG-OD2 2.87Å
50N63.1Low63.7Low112 Ų11291.7 Ų91.760%0.59950%0.5SS*.  trans-69.871.9169.2-89.7-29.7000108.3E48 I52E48-N50 PolarHBondContact O-N 2.71Å; N50-I52 PolarHBondContact O-N 3.4Å
51D77.9Confident66.7Low68 Ų6884.2 Ų84.236%0.36446%0.461SS..EExtended strand (participates in β ladder)trans-78.4119176.7-65-28.5000108S30 S49 T53S30-D51 WeakPolarHBondContact CA-OD1 3.14Å; S30-D51 WeakPolarHBondContact CB-OD1 3.07Å; S30-D51 PolarHBondContact OG-OD1 3.5Å; S49-D51 WeakPolarHBondContact CB-OD1 3.38Å; S49-D51 WeakPolarHBondContact CB-OD2 3.41Å; S49-D51 PolarHBondContact O-N 3.04Å; S49-D51 PolarHBondContact OG-OD2 2.87Å; D51-T53 PolarHBondContact O-N 3.49Å
52I86.4Confident69.7Low73 Ų7380.7 Ų80.737%0.37443%0.425SS..EExtended strand (participates in β ladder)trans-86.4117.1179-62.9174.1000107.2S28 V29 R31 N50 I54S28-I52 CarbonylContact C-O 3.24Å; S28-I52 WeakPolarHBondContact CA-O 3.16Å; V29-I52 PolarHBondContact N-O 2.95Å; V29-I52 PolarHBondContact O-N 3.38Å; R31-I52 HydrophobicContact CG-CD1 4.04Å; R31-I52 VanDerWaalsContact CZ-CD1 3.44Å; R31-I52 VanDerWaalsContact NE-CD1 3.26Å; N50-I52 PolarHBondContact O-N 3.4Å; I52-I54 PolarHBondContact O-N 2.87Å
53T90.5Very high72.7Confident57 Ų5776.4 Ų76.435%0.3539%0.394SS..EExtended strand (participates in β ladder)trans-77.5113.2174.3-56.60000109.1R26 V27 S28 D51 L55 K56R26-T53 HydrophobicContact CG-CG2 3.89Å; V27-T53 CarbonylContact O-C 3.49Å; S28-T53 PolarHBondContact OG-OG1 3.38Å; D51-T53 PolarHBondContact O-N 3.49Å; T53-L55 WeakPolarHBondContact CG2-O 3.45Å; T53-K56 HydrophobicContact CG2-CG 3.91Å
54I92.2Very high75.6Confident53 Ų5367.2 Ų67.227%0.27237%0.366SS..EExtended strand (participates in β ladder)trans-88.2-45.2179.8-57.3-176.5000111.1V27 V29 I52 G256V27-I54 HydrophobicContact CG1-CB 4.41Å; V27-I54 PolarHBondContact O-N 2.86Å; V29-I54 HydrophobicContact CB-CD1 4.07Å; V29-I54 HydrophobicContact CG2-CD1 3.36Å; V29-I54 HydrophobicContact CG2-CG1 4.22Å; I52-I54 PolarHBondContact O-N 2.87Å; I54-G256 WeakPolarHBondContact O-CA 3.39Å
55L94.1Very high78.6Confident0 Ų062.6 Ų62.60%034%0.337CS..EExtended strand (participates in β ladder)trans-113.1135.9175.3-57.6-179.5000109.6R26 V27 T53 L81 G256R26-L55 WeakPolarHBondContact CA-O 3.14Å; R26-L55 VanDerWaalsContact CG-O 3.3Å; R26-L55 WeakPolarHBondContact CG-O 3.29Å; V27-L55 HydrophobicContact CB-CB 3.81Å; V27-L55 HydrophobicContact CB-CD1 4.01Å; V27-L55 HydrophobicContact CB-CG 3.87Å; V27-L55 HydrophobicContact CG2-CB 4.06Å; V27-L55 HydrophobicContact CG2-CD1 3.54Å; V27-L55 HydrophobicContact CG2-CG 3.98Å; V27-L55 PolarHBondContact N-O 3.19Å; V27-L55 VanDerWaalsContact N-O 3.08Å; V27-L55 PolarHBondContact O-N 3.14Å; T53-L55 WeakPolarHBondContact CG2-O 3.45Å; L55-L81 HydrophobicContact CD1-CB 3.83Å; L55-L81 HydrophobicContact CD1-CD1 4Å; L55-L81 HydrophobicContact CD2-CB 4.43Å; L55-G256 CarbonylContact C-O 3.58Å; L55-G256 WeakPolarHBondContact CA-O 3.45Å
56K94Very high81.7Confident54 Ų5461.3 Ų61.324%0.23532%0.317CS..EExtended strand (participates in β ladder)trans-12189.9-172.6-59.7173.4-164.71690108.5T53 C58 D255 G256 R257T53-K56 HydrophobicContact CG2-CG 3.91Å; K56-C58 PolarHBondContact O-N 3.13Å; K56-D255 WeakPolarHBondContact CE-O 3.47Å; K56-D255 PolarHBondContact NZ-O 3.16Å; K56-D255 IonicContact NZ-OD1 3.77Å; K56-D255 PolarHBondContact NZ-OD1 2.74Å; K56-D255 IonicContact NZ-OD2 3.43Å; K56-D255 PolarHBondContact NZ-OD2 2.82Å; K56-G256 PolarHBondContact N-O 2.9Å; K56-R257 HydrophobicContact CB-CG 3.78Å; K56-R257 HydrophobicContact CD-CG 4.22Å
57D92.5Very high84.7Confident63 Ų6353.8 Ų53.834%0.33728%0.277SS..EExtended strand (participates in β ladder)trans53.747.4172.9-48.4-35.3000113.7L25 R26L25-D57 PolarHBondContact O-N 3.36Å; R26-D57 IonicContact CZ-OD1 2.91Å; R26-D57 IonicContact CZ-OD2 3.91Å; R26-D57 IonicContact NE-OD1 3.23Å; R26-D57 PolarHBondContact NE-OD1 3.35Å; R26-D57 IonicContact NE-OD2 2.68Å; R26-D57 VanDerWaalsContact NH2-CG 3.3Å; R26-D57 IonicContact NH2-OD1 3.33Å; R26-D57 PolarHBondContact NH2-OD1 3.42Å; R26-D57 IonicContact NH2-OD2 3.63Å; R26-D57 PolarHBondContact NH2-OD2 3Å
58C94.6Very high87.5Confident0 Ų044.4 Ų44.40%024%0.237CC..EExtended strand (participates in β ladder)trans-66.3150.1178.2-72.40000112.1N24 L25 K56 L81 G256N24-C58 PolarHBondContact N-O 3.21Å; L25-C58 HydrophobicContact CB-CB 4.36Å; L25-C58 PolarHBondContact N-O 2.89Å; L25-C58 PolarHBondContact O-N 2.86Å; K56-C58 PolarHBondContact O-N 3.13Å; C58-L81 HydrophobicContact CB-CD1 4.43Å; C58-G256 PolarHBondContact SG-O 3.25Å
59Y94.8Very high90.1Very high6 Ų636.3 Ų36.32%0.02420%0.199CC..EExtended strand (participates in β ladder)trans-141.6159.9176.958.1-91.4000111.1W22 T258 F261 F313 M314 Y319 L322W22-Y59 VanDerWaalsContact CD1-C 3.49Å; W22-Y59 VanDerWaalsContact CD1-CA 3.49Å; W22-Y59 PolarHBondContact NE1-O 3.4Å; W22-Y59 CarbonylContact O-C 3.57Å; W22-Y59 WeakPolarHBondContact O-CA 3.25Å; Y59-T258 HydrophobicContact CD2-CG2 4.45Å; Y59-T258 HydrophobicContact CE1-CG2 4.46Å; Y59-T258 HydrophobicContact CE2-CG2 4.04Å; Y59-T258 PolarHBondContact N-OG1 2.95Å; Y59-T258 PolarHBondContact O-OG1 3.25Å; Y59-F261 HydrophobicContact CE2-CB 4.45Å; Y59-F313 HydrophobicContact CE2-CE1 4.27Å; Y59-F313 WeakPolarHBondContact OH-CD1 3.41Å; Y59-M314 HydrophobicContact CE1-CE 3.75Å; Y59-Y319 HydrophobicContact CD2-CE2 4.11Å; Y59-Y319 HydrophobicContact CE1-CE2 4.3Å; Y59-Y319 AromaticContact CE2-CD2 3.72Å; Y59-Y319 HydrophobicContact CE2-CD2 3.72Å; Y59-Y319 AromaticContact CE2-CE2 3.58Å; Y59-Y319 HydrophobicContact CE2-CE2 3.58Å; Y59-Y319 AromaticContact CZ-CD2 3.98Å; Y59-Y319 AromaticContact CZ-CE2 3.7Å; Y59-L322 HydrophobicContact CD2-CD2 3.9Å; Y59-L322 HydrophobicContact CE2-CD2 4.02Å
60G95.5Very high92.3Very high0 Ų032.9 Ų32.90%018%0.175CC..EExtended strand (participates in β ladder)trans166.8172.6176.800000113.7S21 W22S21-G60 WeakPolarHBondContact CA-O 3.4Å; W22-G60 PolarHBondContact N-O 3.01Å; W22-G60 PolarHBondContact O-N 2.91Å
61L95.7Very high93.9Very high3 Ų327.6 Ų27.62%0.01615%0.146CC..EExtended strand (participates in β ladder)trans-144.1116.3-176.2178.766.9000111.1L20 Q63 F261 L322 Q325 I326 I329L20-L61 CarbonylContact O-C 3.52Å; L20-L61 WeakPolarHBondContact O-CA 3.31Å; L61-Q63 HydrophobicContact CD2-CG 3.97Å; L61-Q63 HydrophobicContact CG-CG 3.89Å; L61-F261 HydrophobicContact CB-CE1 4.34Å; L61-F261 WeakPolarHBondContact O-CE1 3.42Å; L61-F261 WeakPolarHBondContact O-CZ 3.47Å; L61-L322 HydrophobicContact CB-CD1 3.52Å; L61-L322 HydrophobicContact CD2-CD1 4.24Å; L61-Q325 HydrophobicContact CD2-CB 3.9Å; L61-I326 HydrophobicContact CB-CD1 4.4Å; L61-I326 HydrophobicContact CB-CG1 4.2Å; L61-I326 HydrophobicContact CD1-CG1 4.48Å; L61-I329 HydrophobicContact CD1-CD1 3.82Å; L61-I329 HydrophobicContact CD2-CD1 4.35Å
62A96.5Very high94.6Very high0 Ų024.4 Ų24.40%013%0.13CC..EExtended strand (participates in β ladder)trans-98.8129.2168.200000109.9S19 L20 W22 L68 T231 V233S19-A62 WeakPolarHBondContact CA-O 3.46Å; L20-A62 HydrophobicContact CB-CB 4.28Å; L20-A62 PolarHBondContact N-O 3.37Å; L20-A62 PolarHBondContact O-N 2.91Å; W22-A62 HydrophobicContact CZ3-CB 4.47Å; A62-L68 HydrophobicContact CB-CD2 3.96Å; A62-T231 HydrophobicContact CB-CG2 3.56Å; A62-V233 HydrophobicContact CB-CG2 3.54Å
63Q94.2Very high94.8Very high54 Ų5422.2 Ų22.225%0.25212%0.122SC..  trans-112.8152.2-173.8-62.1-178-3600112.2L61 R66 T231L61-Q63 HydrophobicContact CD2-CG 3.97Å; L61-Q63 HydrophobicContact CG-CG 3.89Å; Q63-R66 HydrophobicContact CB-CG 4.33Å; Q63-R66 PolarHBondContact O-N 3.47Å; Q63-T231 VanDerWaalsContact C-OG1 3.29Å; Q63-T231 PolarHBondContact O-OG1 2.72Å
64P94.6Very high94.7Very high51 Ų5124.7 Ų24.733%0.33114%0.142SC..THydrogen-bonded Turntrans-59.5141.5174.326.1-35.1000111.5R66 G229 T231P64-R66 VanDerWaalsContact C-N 3.25Å; P64-R66 PolarHBondContact O-N 2.95Å; P64-G229 WeakPolarHBondContact CB-O 3.26Å; P64-T231 WeakPolarHBondContact CA-OG1 3.41Å; P64-T231 VanDerWaalsContact N-OG1 3.14Å
65G95.3Very high94.5Very high23 Ų2325.7 Ų25.724%0.23717%0.165CC..THydrogen-bonded Turntrans83.9-5.9-178.400000114.6A226 K230G65-A226 VanDerWaalsContact CA-O 3.25Å; G65-A226 WeakPolarHBondContact CA-O 3.38Å; G65-K230 PolarHBondContact N-O 3.42Å
66R96.6Very high94.3Very high72 Ų7226 Ų2627%0.27217%0.168SC..  trans-116.7146-171.4-56.7-173.367.883.8-7.9112.4Q63 P64 V232 D248 D249Q63-R66 HydrophobicContact CB-CG 4.33Å; Q63-R66 PolarHBondContact O-N 3.47Å; P64-R66 VanDerWaalsContact C-N 3.25Å; P64-R66 PolarHBondContact O-N 2.95Å; R66-V232 PolarHBondContact O-N 2.96Å; R66-D248 WeakPolarHBondContact CA-OD2 3.47Å; R66-D248 HydrophobicContact CB-CB 4.18Å; R66-D248 PolarHBondContact NH2-O 3.39Å; R66-D249 WeakPolarHBondContact CD-OD2 3.37Å; R66-D249 IonicContact CZ-OD1 2.91Å; R66-D249 IonicContact CZ-OD2 3.95Å; R66-D249 IonicContact NE-OD1 3.58Å; R66-D249 PolarHBondContact NE-OD1 2.81Å; R66-D249 IonicContact NE-OD2 3.73Å; R66-D249 PolarHBondContact NE-OD2 3.45Å; R66-D249 IonicContact NH2-OD1 3.29Å; R66-D249 PolarHBondContact NH2-OD1 3.49Å; R66-D249 IonicContact NH2-OD2 2.68Å
67L97.6Very high94.2Very high0 Ų023.7 Ų23.70%016%0.159CC..EExtended strand (participates in β ladder)trans-105.1108174.3-178.265.9000109.4L222 K223 A226 V232 F247 D248 D249L67-L222 HydrophobicContact CD1-CB 4.09Å; L67-L222 HydrophobicContact CD2-CB 4.29Å; L67-K223 HydrophobicContact CB-CD 4.44Å; L67-K223 HydrophobicContact CD2-CB 4.33Å; L67-A226 HydrophobicContact CB-CB 4.22Å; L67-V232 HydrophobicContact CD1-CB 3.56Å; L67-V232 HydrophobicContact CD1-CG1 3.33Å; L67-F247 HydrophobicContact CD2-CD1 3.64Å; L67-F247 HydrophobicContact CD2-CE1 3.88Å; L67-F247 HydrophobicContact CG-CD1 3.77Å; L67-F247 HydrophobicContact CG-CE1 4.19Å; L67-D248 PolarHBondContact N-OD2 2.92Å; L67-D248 PolarHBondContact O-N 3Å; L67-D249 PolarHBondContact O-N 2.91Å
68L98Very high94.3Very high2 Ų221.1 Ų21.11%0.0115%0.145CC..EExtended strand (participates in β ladder)trans-93.2127.3178.1172.464.8000110.9W22 A62 V232 V233 C234 D249 C251 F261W22-L68 HydrophobicContact CH2-CD2 3.78Å; A62-L68 HydrophobicContact CB-CD2 3.96Å; L68-V232 PolarHBondContact N-O 2.74Å; L68-V233 HydrophobicContact CD2-CG1 4.17Å; L68-V233 HydrophobicContact CD2-CG2 4.28Å; L68-C234 PolarHBondContact O-N 3.14Å; L68-C234 PolarHBondContact O-SG 3.23Å; L68-D249 HydrophobicContact CB-CB 4.49Å; L68-D249 HydrophobicContact CD1-CB 3.64Å; L68-C251 HydrophobicContact CD1-CB 4.12Å; L68-F261 HydrophobicContact CD1-CE2 3.97Å; L68-F261 HydrophobicContact CD1-CZ 3.97Å; L68-F261 HydrophobicContact CD2-CE2 4.14Å; L68-F261 HydrophobicContact CD2-CZ 4.19Å
69A97.5Very high94.1Very high0 Ų022.8 Ų22.80%016%0.157CC..EExtended strand (participates in β ladder)trans-99.2122.2168.900000111.8M71 C234 V236 F247 D249 L250 C251A69-M71 HydrophobicContact CB-CG 4.25Å; A69-M71 HydrophobicContact CB-SD 4.4Å; A69-C234 CarbonylContact C-O 3.53Å; A69-V236 HydrophobicContact CB-CG2 4.06Å; A69-F247 HydrophobicContact CB-CB 4.09Å; A69-F247 HydrophobicContact CB-CD1 3.62Å; A69-F247 HydrophobicContact CB-CD2 3.63Å; A69-F247 HydrophobicContact CB-CE1 3.9Å; A69-F247 HydrophobicContact CB-CE2 3.9Å; A69-F247 HydrophobicContact CB-CG 3.5Å; A69-F247 HydrophobicContact CB-CZ 4.03Å; A69-D249 PolarHBondContact N-O 2.87Å; A69-L250 HydrophobicContact CB-CD1 4.38Å; A69-C251 PolarHBondContact O-N 2.72Å
70I97.4Very high93.9Very high0 Ų024 Ų240%017%0.166CC..EExtended strand (participates in β ladder)trans-94.4111.4166.9-60.6169.4000107.8K78 L81 L82 V233 C234 T235 V236 C251 L253I70-K78 HydrophobicContact CG2-CB 4.35Å; I70-K78 HydrophobicContact CG2-CG 4.27Å; I70-L81 HydrophobicContact CD1-CD2 4.07Å; I70-L81 HydrophobicContact CG2-CD2 4.36Å; I70-L82 HydrophobicContact CD1-CD1 4.17Å; I70-V233 HydrophobicContact CD1-CG1 3.55Å; I70-V233 HydrophobicContact CG1-CG1 4.22Å; I70-C234 PolarHBondContact N-O 3.3Å; I70-T235 HydrophobicContact CB-CG2 4.02Å; I70-T235 HydrophobicContact CD1-CG2 4.48Å; I70-T235 HydrophobicContact CG2-CG2 4.22Å; I70-T235 WeakPolarHBondContact O-CA 3.28Å; I70-V236 PolarHBondContact O-N 3.21Å; I70-C251 WeakPolarHBondContact CA-O 3.27Å; I70-C251 HydrophobicContact CG1-CB 4.18Å; I70-L253 HydrophobicContact CG2-CD1 3.61Å; I70-L253 HydrophobicContact CG2-CG 4.24Å
71M96.1Very high93.8Very high0 Ų024 Ų240%017%0.166CC..EExtended strand (participates in β ladder)trans-121.3151.9-175.1-70.8-17955.700111.8A69 V236 P239 F244 L250 C251 L252 L253 S285 I289A69-M71 HydrophobicContact CB-CG 4.25Å; A69-M71 HydrophobicContact CB-SD 4.4Å; M71-V236 WeakPolarHBondContact CA-O 3.25Å; M71-V236 HydrophobicContact CG-CB 4.25Å; M71-V236 HydrophobicContact CG-CG2 4.29Å; M71-P239 HydrophobicContact CE-CG 4.03Å; M71-P239 HydrophobicContact SD-CG 4.13Å; M71-F244 HydrophobicContact CE-CD2 4.4Å; M71-F244 HydrophobicContact CE-CE2 4.42Å; M71-F244 HydrophobicContact SD-CD2 3.95Å; M71-F244 HydrophobicContact SD-CE2 3.89Å; M71-L250 HydrophobicContact CB-CD1 4.01Å; M71-L250 HydrophobicContact CG-CD1 3.92Å; M71-L250 HydrophobicContact SD-CD1 3.52Å; M71-L250 VanDerWaalsContact SD-CD1 3.52Å; M71-C251 PolarHBondContact N-O 2.92Å; M71-L252 HydrophobicContact CB-CD2 3.88Å; M71-L252 CarbonylContact O-C 3.57Å; M71-L252 WeakPolarHBondContact O-CA 3.33Å; M71-L253 PolarHBondContact O-N 3.3Å; M71-S285 VanDerWaalsContact CE-CB 3.46Å; M71-I289 HydrophobicContact CB-CD1 4.49Å; M71-I289 HydrophobicContact CE-CG1 4.4Å
72G93.6Very high93.7Very high1 Ų123.9 Ų23.91%0.0117%0.166CC..  trans166.4157.5-177.300000111.8K78 L253 I289G72-K78 PolarHBondContact O-NZ 2.93Å; G72-L253 VanDerWaalsContact CA-O 3.28Å; G72-L253 WeakPolarHBondContact CA-O 3.31Å; G72-I289 VanDerWaalsContact C-CD1 3.44Å; G72-I289 VanDerWaalsContact CA-CD1 3.4Å
73A90Very high93.4Very high27 Ų2726 Ų2622%0.22318%0.177CC..  trans-57.5169.4178.200000112.3G75 A76 K78 I289A73-G75 PolarHBondContact O-N 3.22Å; A73-A76 VanDerWaalsContact O-CB 3.24Å; A73-A76 WeakPolarHBondContact O-CB 3.12Å; A73-A76 PolarHBondContact O-N 2.51Å; A73-A76 VanDerWaalsContact O-N 3.15Å; A73-K78 PolarHBondContact O-NZ 3.41Å; A73-I289 HydrophobicContact CB-CG2 4.47Å
74S88.9Confident93.2Very high109 Ų10923.5 Ų23.576%0.76217%0.165SC*.THydrogen-bonded Turntrans-61.4135.8172.3-164.20000109.4A76S74-A76 VanDerWaalsContact C-N 3.3Å; S74-A76 PolarHBondContact O-N 3.33Å
75G86.8Confident93.1Very high74 Ų7421 Ų2176%0.76315%0.15SC*.THydrogen-bonded Turntrans78.2-0.7-175.200000116.2A73 G77A73-G75 PolarHBondContact O-N 3.22Å; G75-G77 PolarHBondContact O-N 3Å; G75-G77 VanDerWaalsContact O-N 3.07Å
76A91.3Very high92.8Very high6 Ų620 Ų205%0.0514%0.139CC..SBendtrans-67-8.7-179.700000115.3A73 S74 L253 G256A73-A76 VanDerWaalsContact O-CB 3.24Å; A73-A76 WeakPolarHBondContact O-CB 3.12Å; A73-A76 PolarHBondContact O-N 2.51Å; A73-A76 VanDerWaalsContact O-N 3.15Å; S74-A76 VanDerWaalsContact C-N 3.3Å; S74-A76 PolarHBondContact O-N 3.33Å; A76-L253 HydrophobicContact CB-CB 4.35Å; A76-L253 WeakPolarHBondContact CB-O 3.44Å; A76-G256 PolarHBondContact O-N 3.2Å
77G91.8Very high92.3Very high6 Ų618.4 Ų18.46%0.06213%0.133CC..SBendtrans99.111.8179.700000115.7G75 S80 L81G75-G77 PolarHBondContact O-N 3Å; G75-G77 VanDerWaalsContact O-N 3.07Å; G77-S80 CarbonylContact O-C 3.52Å; G77-S80 WeakPolarHBondContact O-CB 3.32Å; G77-S80 PolarHBondContact O-N 3.2Å; G77-L81 PolarHBondContact O-N 3.28Å
78K93.5Very high91.4Very high9 Ų919.7 Ų19.74%0.03914%0.138CC..Hα-helixtrans-52.4-61-178.1-60.7-172.9-61.4-69.50113.9I70 G72 A73 S80 L81 L82 T235 L253I70-K78 HydrophobicContact CG2-CB 4.35Å; I70-K78 HydrophobicContact CG2-CG 4.27Å; G72-K78 PolarHBondContact O-NZ 2.93Å; A73-K78 PolarHBondContact O-NZ 3.41Å; K78-S80 VanDerWaalsContact C-N 3.27Å; K78-S80 PolarHBondContact O-N 3.41Å; K78-L81 WeakPolarHBondContact O-CB 3.39Å; K78-L81 PolarHBondContact O-N 2.61Å; K78-L82 PolarHBondContact O-N 3.46Å; K78-T235 HydrophobicContact CB-CG2 3.92Å; K78-L253 HydrophobicContact CG-CD1 4.42Å
79S89.7Confident90.1Very high35 Ų3522.2 Ų22.225%0.24517%0.165CC..Hα-helixtrans-67.8-30.1179.9-48.90000111.5L82 N83 D204S79-L82 PolarHBondContact O-N 3.4Å; S79-N83 VanDerWaalsContact O-CB 3.25Å; S79-N83 WeakPolarHBondContact O-CB 3.37Å; S79-N83 VanDerWaalsContact O-CG 3.22Å; S79-N83 PolarHBondContact O-N 2.99Å; S79-N83 PolarHBondContact O-ND2 3.15Å; S79-N83 VanDerWaalsContact O-ND2 3.1Å; S79-D204 PolarHBondContact OG-OD1 3.24Å; S79-D204 VanDerWaalsContact OG-OD1 3.13Å
80S91.2Very high88.7Confident32 Ų3224.5 Ų24.522%0.22418%0.175CC..Hα-helixtrans-64.3-39.5172.7-53.80000112.1G77 K78 A84G77-S80 CarbonylContact O-C 3.52Å; G77-S80 WeakPolarHBondContact O-CB 3.32Å; G77-S80 PolarHBondContact O-N 3.2Å; K78-S80 VanDerWaalsContact C-N 3.27Å; K78-S80 PolarHBondContact O-N 3.41Å; S80-A84 VanDerWaalsContact O-CB 3.29Å; S80-A84 WeakPolarHBondContact O-CB 3.45Å; S80-A84 PolarHBondContact O-N 3.1Å
81L94.4Very high87.2Confident0 Ų026.3 Ų26.30%019%0.19CC..Hα-helixtrans-64.7-49.7173.4177.760.6000110.3W22 L25 L55 C58 I70 G77 K78 N83 A84 L85 L253W22-L81 HydrophobicContact CZ2-CD2 4.47Å; L25-L81 HydrophobicContact CD2-CD1 3.5Å; L55-L81 HydrophobicContact CD1-CB 3.83Å; L55-L81 HydrophobicContact CD1-CD1 4Å; L55-L81 HydrophobicContact CD2-CB 4.43Å; C58-L81 HydrophobicContact CB-CD1 4.43Å; I70-L81 HydrophobicContact CD1-CD2 4.07Å; I70-L81 HydrophobicContact CG2-CD2 4.36Å; G77-L81 PolarHBondContact O-N 3.28Å; K78-L81 WeakPolarHBondContact O-CB 3.39Å; K78-L81 PolarHBondContact O-N 2.61Å; L81-N83 VanDerWaalsContact C-N 3.29Å; L81-N83 PolarHBondContact O-N 3.18Å; L81-A84 PolarHBondContact O-N 3.01Å; L81-A84 VanDerWaalsContact O-N 3.13Å; L81-L85 HydrophobicContact CD1-CD1 4.22Å; L81-L85 HydrophobicContact CD1-CD2 4.44Å; L81-L85 HydrophobicContact CD1-CG 4.11Å; L81-L85 HydrophobicContact CG-CD1 4.13Å; L81-L85 HydrophobicContact CG-CG 4.43Å; L81-L85 VanDerWaalsContact O-CG 3.3Å; L81-L85 WeakPolarHBondContact O-CG 3.3Å; L81-L85 PolarHBondContact O-N 3.25Å; L81-L253 HydrophobicContact CB-CD1 4.21Å; L81-L253 HydrophobicContact CD2-CD1 3.77Å; L81-L253 HydrophobicContact CD2-CD2 4.37Å; L81-L253 HydrophobicContact CD2-CG 4.47Å
82L93.2Very high85.9Confident0 Ų030.4 Ų30.40%021%0.212CC..Hα-helixtrans-58.3-41.6178.7-152.183.2000111.9I70 K78 S79 T86 Y116 F202 D204 V233 T235I70-L82 HydrophobicContact CD1-CD1 4.17Å; K78-L82 PolarHBondContact O-N 3.46Å; S79-L82 PolarHBondContact O-N 3.4Å; L82-T86 WeakPolarHBondContact O-CG2 3.42Å; L82-T86 PolarHBondContact O-N 2.89Å; L82-T86 VanDerWaalsContact O-N 3.11Å; L82-T86 PolarHBondContact O-OG1 3.26Å; L82-Y116 HydrophobicContact CD2-CD2 4.3Å; L82-Y116 HydrophobicContact CD2-CE2 3.4Å; L82-Y116 VanDerWaalsContact CD2-CE2 3.4Å; L82-Y116 HydrophobicContact CG-CE2 3.88Å; L82-F202 HydrophobicContact CD1-CB 4.33Å; L82-F202 HydrophobicContact CD1-CD1 3.74Å; L82-F202 HydrophobicContact CD2-CB 4.33Å; L82-F202 HydrophobicContact CG-CB 4.32Å; L82-F202 HydrophobicContact CG-CD1 4.16Å; L82-D204 HydrophobicContact CD2-CB 3.79Å; L82-V233 HydrophobicContact CD1-CG1 3.91Å; L82-T235 HydrophobicContact CB-CG2 4.33Å; L82-T235 HydrophobicContact CD1-CG2 4.08Å; L82-T235 HydrophobicContact CD2-CG2 4.41Å
83N88.9Confident85.1Confident46 Ų4631.6 Ų31.625%0.24622%0.218CC..Hα-helixtrans-67.5-39.9175.8-77.3-34.3000112.5S79 L81 T86 Y87 R88 Y116S79-N83 VanDerWaalsContact O-CB 3.25Å; S79-N83 WeakPolarHBondContact O-CB 3.37Å; S79-N83 VanDerWaalsContact O-CG 3.22Å; S79-N83 PolarHBondContact O-N 2.99Å; S79-N83 PolarHBondContact O-ND2 3.15Å; S79-N83 VanDerWaalsContact O-ND2 3.1Å; L81-N83 VanDerWaalsContact C-N 3.29Å; L81-N83 PolarHBondContact O-N 3.18Å; N83-T86 CarbonylContact O-C 3.54Å; N83-T86 PolarHBondContact O-N 3.04Å; N83-T86 PolarHBondContact O-OG1 2.72Å; N83-Y87 CarbonylContact O-C 3.52Å; N83-Y87 WeakPolarHBondContact O-CA 3.18Å; N83-Y87 PolarHBondContact O-N 3.33Å; N83-R88 HydrophobicContact CB-CB 4.49Å; N83-R88 PolarHBondContact O-N 3.09Å; N83-Y116 PolarHBondContact OD1-OH 2.99Å
84A91.1Very high84.9Confident0 Ų033.5 Ų33.50%023%0.229CC..Hα-helixtrans-63.6-44.4175.800000111.5L25 V27 S80 L81 T86 Y87 M93 V95L25-A84 HydrophobicContact CD2-CB 3.92Å; V27-A84 HydrophobicContact CG2-CB 3.75Å; S80-A84 VanDerWaalsContact O-CB 3.29Å; S80-A84 WeakPolarHBondContact O-CB 3.45Å; S80-A84 PolarHBondContact O-N 3.1Å; L81-A84 PolarHBondContact O-N 3.01Å; L81-A84 VanDerWaalsContact O-N 3.13Å; A84-T86 VanDerWaalsContact C-N 3.3Å; A84-T86 PolarHBondContact O-N 2.74Å; A84-Y87 PolarHBondContact O-N 2.72Å; A84-M93 HydrophobicContact CB-CE 3.96Å; A84-V95 HydrophobicContact CB-CG1 4.27Å
85L92.7Very high84.8Confident0 Ų030.2 Ų30.20%020%0.204CC..Hα-helixtrans-61.9-36.7177-66.3176.1000112.3L20 W22 L25 L81 V99 I110 F202L20-L85 HydrophobicContact CD2-CD1 4.25Å; W22-L85 HydrophobicContact CB-CD2 3.71Å; W22-L85 HydrophobicContact CD2-CD1 4.25Å; W22-L85 HydrophobicContact CD2-CD2 3.64Å; W22-L85 HydrophobicContact CE3-CD1 4.06Å; W22-L85 HydrophobicContact CE3-CD2 3.7Å; W22-L85 HydrophobicContact CG-CD2 3.66Å; W22-L85 HydrophobicContact CH2-CD1 4.38Å; W22-L85 HydrophobicContact CZ3-CD1 4.14Å; L25-L85 HydrophobicContact CD2-CD2 4.17Å; L81-L85 HydrophobicContact CD1-CD1 4.22Å; L81-L85 HydrophobicContact CD1-CD2 4.44Å; L81-L85 HydrophobicContact CD1-CG 4.11Å; L81-L85 HydrophobicContact CG-CD1 4.13Å; L81-L85 HydrophobicContact CG-CG 4.43Å; L81-L85 VanDerWaalsContact O-CG 3.3Å; L81-L85 WeakPolarHBondContact O-CG 3.3Å; L81-L85 PolarHBondContact O-N 3.25Å; L85-V99 HydrophobicContact CD2-CG1 4.08Å; L85-V99 HydrophobicContact CD2-CG2 4.05Å; L85-I110 WeakPolarHBondContact O-CD1 3.34Å; L85-F202 HydrophobicContact CB-CE1 4.1Å; L85-F202 HydrophobicContact CB-CZ 4.37Å; L85-F202 HydrophobicContact CD1-CE1 4.31Å
86T88.9Confident85Confident1 Ų130 Ų301%0.00619%0.189CC..THydrogen-bonded Turntrans-92.15179.858.60000114.3L82 N83 A84 R88 R111 Y116 F202L82-T86 WeakPolarHBondContact O-CG2 3.42Å; L82-T86 PolarHBondContact O-N 2.89Å; L82-T86 VanDerWaalsContact O-N 3.11Å; L82-T86 PolarHBondContact O-OG1 3.26Å; N83-T86 CarbonylContact O-C 3.54Å; N83-T86 PolarHBondContact O-N 3.04Å; N83-T86 PolarHBondContact O-OG1 2.72Å; A84-T86 VanDerWaalsContact C-N 3.3Å; A84-T86 PolarHBondContact O-N 2.74Å; T86-R88 PolarHBondContact O-N 3.2Å; T86-R88 VanDerWaalsContact O-N 3.14Å; T86-R88 WeakPolarHBondContact OG1-CG 3.48Å; T86-R111 PolarHBondContact O-NE 3.35Å; T86-Y116 HydrophobicContact CG2-CD2 3.83Å; T86-Y116 HydrophobicContact CG2-CE2 4.35Å; T86-F202 HydrophobicContact CG2-CB 4.27Å; T86-F202 HydrophobicContact CG2-CD1 3.96Å; T86-F202 HydrophobicContact CG2-CD2 3.36Å; T86-F202 HydrophobicContact CG2-CE1 4.05Å; T86-F202 HydrophobicContact CG2-CE2 3.44Å; T86-F202 VanDerWaalsContact CG2-CE2 3.44Å; T86-F202 HydrophobicContact CG2-CG 3.61Å; T86-F202 HydrophobicContact CG2-CZ 3.77Å
87Y84.8Confident84.9Confident38 Ų3831.9 Ų31.915%0.14921%0.208CC..THydrogen-bonded Turntrans51.729.1-172.9-69.8-101000113.3N83 A84 Q90 V99 G107 K108 I110 R111N83-Y87 CarbonylContact O-C 3.52Å; N83-Y87 WeakPolarHBondContact O-CA 3.18Å; N83-Y87 PolarHBondContact O-N 3.33Å; A84-Y87 PolarHBondContact O-N 2.72Å; Y87-Q90 VanDerWaalsContact CD1-NE2 3.32Å; Y87-V99 HydrophobicContact CE2-CB 4.35Å; Y87-G107 WeakPolarHBondContact CD2-O 3.34Å; Y87-G107 WeakPolarHBondContact CE2-O 3.47Å; Y87-K108 HydrophobicContact CD1-CG 4.19Å; Y87-K108 HydrophobicContact CG-CG 4.28Å; Y87-I110 HydrophobicContact CD2-CG2 3.92Å; Y87-R111 PolarHBondContact O-NH2 2.96Å
88R78.6Confident84.7Confident27 Ų2736.8 Ų36.810%0.10223%0.229CC..  trans-87.8144.5178.9-73.9-176.6172.2-121.6-2.5110.9N83 T86 Q90 S438N83-R88 HydrophobicContact CB-CB 4.49Å; N83-R88 PolarHBondContact O-N 3.09Å; T86-R88 PolarHBondContact O-N 3.2Å; T86-R88 VanDerWaalsContact O-N 3.14Å; T86-R88 WeakPolarHBondContact OG1-CG 3.48Å; R88-Q90 PolarHBondContact O-N 2.73Å; R88-S438 PolarHBondContact NH2-OG 3.44Å; R88-S438 VanDerWaalsContact NH2-OG 3.08Å
89G71.1Confident84.6Confident56 Ų5636.5 Ų36.558%0.57723%0.228SC*.SBendtrans6825.3171.900000116.5A91G89-A91 PolarHBondContact O-N 2.92Å; G89-A91 VanDerWaalsContact O-N 3.09Å
90Q68.6Low84.6Confident48 Ų4835.4 Ų35.422%0.22422%0.22CC..G310 helixtrans-74.23.6-173.7-71.5-171.4-23.100115.7Y87 R88 N92 M93 V95Y87-Q90 VanDerWaalsContact CD1-NE2 3.32Å; R88-Q90 PolarHBondContact O-N 2.73Å; Q90-N92 VanDerWaalsContact C-N 3.27Å; Q90-N92 PolarHBondContact O-N 2.91Å; Q90-N92 VanDerWaalsContact O-N 3.12Å; Q90-M93 HydrophobicContact CG-CE 4.44Å; Q90-M93 PolarHBondContact O-N 3.19Å; Q90-V95 HydrophobicContact CG-CG2 4.2Å
91A64.9Low84.5Confident37 Ų3734.3 Ų34.331%0.30621%0.212SC..G310 helixtrans-51-42.2-170.700000115.9G89 S625G89-A91 PolarHBondContact O-N 2.92Å; G89-A91 VanDerWaalsContact O-N 3.09Å; A91-S625 CarbonylContact C-O 3.59Å; A91-S625 VanDerWaalsContact CA-C 3.46Å; A91-S625 WeakPolarHBondContact CA-O 3.48Å; A91-S625 WeakPolarHBondContact CB-O 3.4Å; A91-S625 WeakPolarHBondContact CB-OXT 3.28Å
92N70.1Confident84.1Confident86 Ų8636.6 Ų36.646%0.4622%0.224SC..G310 helixtrans-122.923.6179.4-59.6-58.9000111V29 S30 Q90V29-N92 WeakPolarHBondContact CA-O 3.48Å; S30-N92 PolarHBondContact N-O 3.44Å; Q90-N92 VanDerWaalsContact C-N 3.27Å; Q90-N92 PolarHBondContact O-N 2.91Å; Q90-N92 VanDerWaalsContact O-N 3.12Å
93M77.1Confident83.8Confident27 Ų2737 Ų3713%0.13323%0.228CC..EExtended strand (participates in β ladder)trans-126.9116.3-170-167.3171.8102.500110.7V27 S28 V29 A84 Q90 V95V27-M93 HydrophobicContact CG1-CE 3.68Å; V27-M93 HydrophobicContact CG1-CG 3.36Å; V27-M93 HydrophobicContact CG1-SD 3.28Å; V27-M93 WeakPolarHBondContact CG1-SD 3.45Å; V27-M93 HydrophobicContact CG2-CE 4.1Å; S28-M93 CarbonylContact O-C 3.52Å; S28-M93 WeakPolarHBondContact O-CA 3.49Å; V29-M93 HydrophobicContact CG2-CB 4.31Å; V29-M93 HydrophobicContact CG2-CG 4.02Å; A84-M93 HydrophobicContact CB-CE 3.96Å; Q90-M93 HydrophobicContact CG-CE 4.44Å; Q90-M93 PolarHBondContact O-N 3.19Å; M93-V95 HydrophobicContact CE-CG2 3.31Å; M93-V95 HydrophobicContact CG-CG2 4.17Å
94S85.8Confident83.6Confident66 Ų6636.2 Ų36.246%0.46222%0.222SC..EExtended strand (participates in β ladder)trans-79.2119.3168.1158.10000108.6V27 S28V27-S94 WeakPolarHBondContact CA-O 3.39Å; S28-S94 PolarHBondContact N-O 3.44Å; S28-S94 PolarHBondContact O-N 3.27Å
95V86.6Confident83.2Confident40 Ų4041.2 Ų41.224%0.24225%0.249CC..EExtended strand (participates in β ladder)trans-113.4120.5173.2-172.80000108.7L25 R26 V27 A84 Q90 M93L25-V95 HydrophobicContact CD1-CG1 3.87Å; R26-V95 WeakPolarHBondContact O-CA 3.5Å; V27-V95 HydrophobicContact CG2-CG1 4.26Å; V27-V95 HydrophobicContact CG2-CG2 4.2Å; A84-V95 HydrophobicContact CB-CG1 4.27Å; Q90-V95 HydrophobicContact CG-CG2 4.2Å; M93-V95 HydrophobicContact CE-CG2 3.31Å; M93-V95 HydrophobicContact CG-CG2 4.17Å
96T90.1Very high82.6Confident71 Ų7142.4 Ų42.444%0.43626%0.255SS..EExtended strand (participates in β ladder)trans-119.6164.8171.863.20000110L25 R26L25-T96 WeakPolarHBondContact CA-O 3.5Å; R26-T96 WeakPolarHBondContact CB-OG1 3.48Å; R26-T96 PolarHBondContact N-O 3.38Å; R26-T96 PolarHBondContact O-N 3.03Å
97G88.7Confident82.4Confident44 Ų4443 Ų4345%0.45426%0.262SS..EExtended strand (participates in β ladder)trans102.7-170.7-171.200000112.2N24N24-G97 VanDerWaalsContact O-CA 3.23Å; N24-G97 WeakPolarHBondContact O-CA 3.08Å
98Q88.7Confident82.2Confident109 Ų10947.6 Ų47.651%0.50928%0.283SS..EExtended strand (participates in β ladder)trans-119.1137.5-177.2-66-179.5-7.600110.5W22 F23W22-Q98 WeakPolarHBondContact CA-O 3.45Å; F23-Q98 PolarHBondContact N-O 2.97Å; F23-Q98 PolarHBondContact O-N 2.75Å
99V91.1Very high82.2Confident3 Ų350.6 Ų50.62%0.01830%0.298CS..EExtended strand (participates in β ladder)trans-125.2117.9167.4-177.70000106.1L20 S21 W22 L25 L85 Y87L20-V99 HydrophobicContact CD1-CG1 3.74Å; S21-V99 WeakPolarHBondContact O-CA 3.49Å; W22-V99 HydrophobicContact CB-CG2 4.29Å; L25-V99 HydrophobicContact CD1-CG2 3.62Å; L85-V99 HydrophobicContact CD2-CG1 4.08Å; L85-V99 HydrophobicContact CD2-CG2 4.05Å; Y87-V99 HydrophobicContact CE2-CB 4.35Å
100L90.1Very high82.8Confident13 Ų1348 Ų487%0.06827%0.271CS..EExtended strand (participates in β ladder)trans-119.2137.4-175.1-51.5175.6000109.7L20 S21 F104 N105 S330L20-L100 WeakPolarHBondContact CA-O 3.36Å; S21-L100 PolarHBondContact N-O 2.78Å; S21-L100 PolarHBondContact O-N 3.32Å; L100-F104 CarbonylContact C-O 3.57Å; L100-F104 WeakPolarHBondContact CA-O 3.08Å; L100-N105 HydrophobicContact CD2-CB 3.75Å; L100-S330 WeakPolarHBondContact CD1-OG 3.47Å
101V88.7Confident83.4Confident9 Ų948.7 Ų48.76%0.05527%0.271CS..EExtended strand (participates in β ladder)trans-114.8113.5175.1172.40000107.1V18 S19 L20 G103 F104 I106 I110V18-V101 HydrophobicContact CG1-CG1 3.62Å; S19-V101 CarbonylContact O-C 3.6Å; S19-V101 WeakPolarHBondContact O-CA 3.43Å; L20-V101 HydrophobicContact CD1-CG2 3.75Å; V101-G103 PolarHBondContact O-N 2.79Å; V101-F104 PolarHBondContact N-O 2.67Å; V101-F104 PolarHBondContact O-N 2.65Å; V101-I106 HydrophobicContact CB-CD1 3.66Å; V101-I106 HydrophobicContact CB-CG1 4.06Å; V101-I106 HydrophobicContact CG1-CD1 3.95Å; V101-I106 HydrophobicContact CG2-CD1 3.58Å; V101-I106 HydrophobicContact CG2-CG1 3.94Å; V101-I110 HydrophobicContact CG2-CD1 3.74Å; V101-I110 HydrophobicContact CG2-CG1 4.03Å
102N87.3Confident84Confident47 Ų4749.2 Ų49.225%0.25128%0.276SS..THydrogen-bonded Turntrans48.742.7-168.7-69.1-17.7000112.4S17 S19 F104 H333S17-N102 PolarHBondContact O-ND2 2.93Å; S17-N102 VanDerWaalsContact O-ND2 3.13Å; S19-N102 PolarHBondContact N-OD1 2.9Å; S19-N102 PolarHBondContact O-N 3.45Å; S19-N102 WeakPolarHBondContact OG-CA 3.4Å; S19-N102 PolarHBondContact OG-OD1 3.31Å; N102-F104 HydrophobicContact CB-CD2 4.37Å; N102-F104 WeakPolarHBondContact O-CD2 3.48Å; N102-F104 WeakPolarHBondContact O-CE2 3.43Å; N102-F104 PolarHBondContact O-N 3.34Å; N102-H333 PolarHBondContact O-CD2 2.98Å
103G85.3Confident84.6Confident8 Ų845.6 Ų45.68%0.08226%0.257CS..THydrogen-bonded Turntrans82.9-15.4-178.900000115V101 I329V101-G103 PolarHBondContact O-N 2.79Å; G103-I329 VanDerWaalsContact CA-O 3.29Å; G103-I329 WeakPolarHBondContact CA-O 3.2Å; G103-I329 VanDerWaalsContact N-CG2 3.34Å
104F84.4Confident85.1Confident31 Ų3145.1 Ų45.114%0.13626%0.256CS..BIsolated β-bridgetrans-92.9135-177.8-57.1-81.4000113L100 V101 N102 I106 H333 E335 F337L100-F104 CarbonylContact C-O 3.57Å; L100-F104 WeakPolarHBondContact CA-O 3.08Å; V101-F104 PolarHBondContact N-O 2.67Å; V101-F104 PolarHBondContact O-N 2.65Å; N102-F104 HydrophobicContact CB-CD2 4.37Å; N102-F104 WeakPolarHBondContact O-CD2 3.48Å; N102-F104 WeakPolarHBondContact O-CE2 3.43Å; N102-F104 PolarHBondContact O-N 3.34Å; F104-I106 HydrophobicContact CB-CG2 4.06Å; F104-I106 PolarHBondContact O-N 2.67Å; F104-I106 VanDerWaalsContact O-N 3.16Å; F104-H333 HydrophobicContact CD1-CB 4.25Å; F104-H333 HydrophobicContact CE1-CB 3.65Å; F104-H333 HydrophobicContact CE2-CB 4.02Å; F104-H333 AromaticContact CE2-CD2 3.27Å; F104-H333 WeakPolarHBondContact CE2-CD2 3.4Å; F104-H333 AromaticContact CE2-CG 3.87Å; F104-H333 HydrophobicContact CZ-CB 3.52Å; F104-H333 AromaticContact CZ-CD2 3.38Å; F104-H333 WeakPolarHBondContact CZ-CD2 3.34Å; F104-H333 AromaticContact CZ-CG 3.52Å; F104-E335 WeakPolarHBondContact CD1-O 3.13Å; F104-E335 HydrophobicContact CE1-CB 4.47Å; F104-E335 WeakPolarHBondContact CE1-O 3.46Å; F104-F337 HydrophobicContact CB-CB 4.17Å; F104-F337 HydrophobicContact CB-CD2 4.07Å; F104-F337 HydrophobicContact CD1-CB 4.15Å; F104-F337 HydrophobicContact CD1-CD2 4.21Å; F104-F337 AromaticContact CD2-CD2 3.59Å; F104-F337 HydrophobicContact CD2-CD2 3.59Å; F104-F337 HydrophobicContact CD2-CE2 4.15Å; F104-F337 AromaticContact CE2-CD2 3.97Å; F104-F337 HydrophobicContact CE2-CD2 3.97Å; F104-F337 HydrophobicContact CE2-CE2 4.37Å; F104-F337 HydrophobicContact CG-CB 4.18Å; F104-F337 AromaticContact CG-CD2 3.7Å; F104-F337 HydrophobicContact CG-CD2 3.7Å; F104-F337 HydrophobicContact CG-CG 4.43Å; F104-F337 HydrophobicContact CZ-CD2 4.43Å
105N84.4Confident85.3Confident104 Ų10442.2 Ų42.256%0.55624%0.236SC*.  trans-80.794.8169-170.9-9.9000110.6L100 G107L100-N105 HydrophobicContact CD2-CB 3.75Å; N105-G107 PolarHBondContact OD1-N 3.39Å
106I79.5Confident85.5Confident25 Ų2540.9 Ų40.913%0.12823%0.226CC..  trans-91.7-10.3-178.463.8172.9000113.9V101 F104 K108 E109 I110 V113 F337V101-I106 HydrophobicContact CB-CD1 3.66Å; V101-I106 HydrophobicContact CB-CG1 4.06Å; V101-I106 HydrophobicContact CG1-CD1 3.95Å; V101-I106 HydrophobicContact CG2-CD1 3.58Å; V101-I106 HydrophobicContact CG2-CG1 3.94Å; F104-I106 HydrophobicContact CB-CG2 4.06Å; F104-I106 PolarHBondContact O-N 2.67Å; F104-I106 VanDerWaalsContact O-N 3.16Å; I106-K108 PolarHBondContact O-N 2.72Å; I106-E109 HydrophobicContact CB-CB 4.46Å; I106-E109 WeakPolarHBondContact O-CB 3.32Å; I106-E109 PolarHBondContact O-N 3.34Å; I106-I110 VanDerWaalsContact CD1-CA 3.43Å; I106-I110 HydrophobicContact CD1-CB 3.76Å; I106-I110 HydrophobicContact CD1-CG1 4.1Å; I106-I110 HydrophobicContact CG1-CB 4.1Å; I106-V113 HydrophobicContact CD1-CG2 3.83Å; I106-F337 HydrophobicContact CG2-CB 4.28Å; I106-F337 HydrophobicContact CG2-CD2 4.45Å; I106-F337 HydrophobicContact CG2-CG 4.15Å
107G84.1Confident85.5Confident15 Ų1537.7 Ų37.716%0.15521%0.207CC..G310 helixtrans56.5-132.8-179.600000113.7Y87 N105 E109 I110Y87-G107 WeakPolarHBondContact CD2-O 3.34Å; Y87-G107 WeakPolarHBondContact CE2-O 3.47Å; N105-G107 PolarHBondContact OD1-N 3.39Å; G107-E109 PolarHBondContact O-N 2.95Å; G107-E109 VanDerWaalsContact O-N 3.13Å; G107-I110 WeakPolarHBondContact O-CG2 2.96Å; G107-I110 PolarHBondContact O-N 3.04Å
108K80.2Confident85.4Confident134 Ų13437.1 Ų37.158%0.58320%0.196SC*.G310 helixtrans-63.1-18.3-178-67.7179.9-179.21780113.8Y87 I106 I110 R111Y87-K108 HydrophobicContact CD1-CG 4.19Å; Y87-K108 HydrophobicContact CG-CG 4.28Å; I106-K108 PolarHBondContact O-N 2.72Å; K108-I110 PolarHBondContact O-N 3.48Å; K108-R111 WeakPolarHBondContact O-CG 3.35Å; K108-R111 PolarHBondContact O-N 3.24Å
109E79.5Confident85.2Confident90 Ų9035.2 Ų35.242%0.42119%0.187SC..G310 helixtrans-70.1-9.6177.8-57.9-54.8149.100112.8I106 G107 R111 A112 F341I106-E109 HydrophobicContact CB-CB 4.46Å; I106-E109 WeakPolarHBondContact O-CB 3.32Å; I106-E109 PolarHBondContact O-N 3.34Å; G107-E109 PolarHBondContact O-N 2.95Å; G107-E109 VanDerWaalsContact O-N 3.13Å; E109-R111 PolarHBondContact O-N 3.4Å; E109-A112 WeakPolarHBondContact O-CB 3.26Å; E109-A112 PolarHBondContact O-N 3.49Å; E109-F341 HydrophobicContact CB-CD2 4.38Å
110I84.6Confident84.7Confident1 Ų140.2 Ų40.21%0.00521%0.213CC..Hα-helixtrans-53.1-27.4169.8-164.6169.7000112.6L20 L85 Y87 V101 I106 G107 K108 A112 V113 S114 L200 F202L20-I110 HydrophobicContact CD1-CD1 3.7Å; L85-I110 WeakPolarHBondContact O-CD1 3.34Å; Y87-I110 HydrophobicContact CD2-CG2 3.92Å; V101-I110 HydrophobicContact CG2-CD1 3.74Å; V101-I110 HydrophobicContact CG2-CG1 4.03Å; I106-I110 VanDerWaalsContact CD1-CA 3.43Å; I106-I110 HydrophobicContact CD1-CB 3.76Å; I106-I110 HydrophobicContact CD1-CG1 4.1Å; I106-I110 HydrophobicContact CG1-CB 4.1Å; G107-I110 WeakPolarHBondContact O-CG2 2.96Å; G107-I110 PolarHBondContact O-N 3.04Å; K108-I110 PolarHBondContact O-N 3.48Å; I110-A112 PolarHBondContact O-N 2.97Å; I110-V113 HydrophobicContact CG1-CG2 4.19Å; I110-V113 VanDerWaalsContact O-CG2 3.26Å; I110-V113 WeakPolarHBondContact O-CG2 3.38Å; I110-V113 PolarHBondContact O-N 3.22Å; I110-S114 VanDerWaalsContact O-CB 3.32Å; I110-S114 WeakPolarHBondContact O-CB 3.05Å; I110-S114 PolarHBondContact O-N 2.94Å; I110-S114 PolarHBondContact O-OG 3.41Å; I110-L200 HydrophobicContact CD1-CD2 4.05Å; I110-L200 HydrophobicContact CG1-CD2 4.27Å; I110-F202 HydrophobicContact CD1-CE2 4.45Å; I110-F202 HydrophobicContact CD1-CZ 4.3Å
111R80Confident84.4Confident63 Ų6341.3 Ų41.324%0.23822%0.219CC..Hα-helixtrans-68.1-18.2177.7-60.2178.7-177.1-173.37.5113.5T86 Y87 K108 E109T86-R111 PolarHBondContact O-NE 3.35Å; Y87-R111 PolarHBondContact O-NH2 2.96Å; K108-R111 WeakPolarHBondContact O-CG 3.35Å; K108-R111 PolarHBondContact O-N 3.24Å; E109-R111 PolarHBondContact O-N 3.4Å
112A77Confident84.4Confident48 Ų4843.8 Ų43.840%0.39723%0.232SC..Hα-helixtrans-81.3-27.9175.300000112.1E109 I110 F341E109-A112 WeakPolarHBondContact O-CB 3.26Å; E109-A112 PolarHBondContact O-N 3.49Å; I110-A112 PolarHBondContact O-N 2.97Å; A112-F341 HydrophobicContact CB-CB 4.41Å; A112-F341 HydrophobicContact CB-CD1 3.85Å; A112-F341 HydrophobicContact CB-CE1 4.37Å; A112-F341 HydrophobicContact CB-CG 4.13Å
113V82.6Confident84.6Confident10 Ų1042.5 Ų42.56%0.06122%0.224CC..Hα-helixtrans-103.4-0.6-179.7-62.80000113.2F11 I106 I110 P199 L200 F341F11-V113 HydrophobicContact CE1-CG1 3.69Å; F11-V113 HydrophobicContact CZ-CB 4.38Å; F11-V113 HydrophobicContact CZ-CG1 3.6Å; I106-V113 HydrophobicContact CD1-CG2 3.83Å; I110-V113 HydrophobicContact CG1-CG2 4.19Å; I110-V113 VanDerWaalsContact O-CG2 3.26Å; I110-V113 WeakPolarHBondContact O-CG2 3.38Å; I110-V113 PolarHBondContact O-N 3.22Å; V113-P199 VanDerWaalsContact O-CD 3.25Å; V113-P199 WeakPolarHBondContact O-CD 3.33Å; V113-P199 WeakPolarHBondContact O-CG 3.39Å; V113-L200 PolarHBondContact O-N 3.49Å; V113-F341 HydrophobicContact CG1-CE1 4.34Å; V113-F341 HydrophobicContact CG1-CE2 4.29Å; V113-F341 HydrophobicContact CG1-CZ 3.81Å
114S89.2Confident84.8Confident17 Ų1742.8 Ų42.812%0.11922%0.224CC..EExtended strand (participates in β ladder)trans-134.2157.2-178.567.90000113.3I110 L200I110-S114 VanDerWaalsContact O-CB 3.32Å; I110-S114 WeakPolarHBondContact O-CB 3.05Å; I110-S114 PolarHBondContact O-N 2.94Å; I110-S114 PolarHBondContact O-OG 3.41Å; S114-L200 CarbonylContact C-O 3.58Å; S114-L200 WeakPolarHBondContact CA-O 3.44Å; S114-L200 WeakPolarHBondContact CB-O 3.44Å
115A89.6Confident85.1Confident4 Ų441.6 Ų41.63%0.03322%0.22CC..EExtended strand (participates in β ladder)trans-120.2152.2169.200000111.2E193 P198 L200 L201 F202A115-E193 HydrophobicContact CB-CB 3.89Å; A115-E193 HydrophobicContact CB-CG 4.49Å; A115-P198 HydrophobicContact CB-CB 3.85Å; A115-P198 HydrophobicContact CB-CG 3.58Å; A115-L200 PolarHBondContact N-O 2.95Å; A115-L201 HydrophobicContact CB-CD1 3.99Å; A115-F202 PolarHBondContact O-N 3.4Å
116Y90.3Very high85.4Confident12 Ų1237.2 Ų37.25%0.04720%0.197CC..EExtended strand (participates in β ladder)trans-129.1116.9-174.8-172.6-81.4000110L82 N83 T86 C118 F202 D204L82-Y116 HydrophobicContact CD2-CD2 4.3Å; L82-Y116 HydrophobicContact CD2-CE2 3.4Å; L82-Y116 VanDerWaalsContact CD2-CE2 3.4Å; L82-Y116 HydrophobicContact CG-CE2 3.88Å; N83-Y116 PolarHBondContact OD1-OH 2.99Å; T86-Y116 HydrophobicContact CG2-CD2 3.83Å; T86-Y116 HydrophobicContact CG2-CE2 4.35Å; Y116-C118 HydrophobicContact CE1-CB 4.32Å; Y116-F202 WeakPolarHBondContact CA-O 3.14Å; Y116-F202 HydrophobicContact CD2-CB 3.78Å; Y116-F202 HydrophobicContact CE2-CB 4.38Å; Y116-D204 HydrophobicContact CE1-CB 4.4Å; Y116-D204 PolarHBondContact OH-OD2 2.87Å
117V91.1Very high86.2Confident4 Ų436 Ų362%0.02419%0.191CC..EExtended strand (participates in β ladder)trans-96.1110.7174.6-178.30000108.1F190 E193 L201 F202 D204V117-F190 HydrophobicContact CB-CD1 4.25Å; V117-F190 HydrophobicContact CB-CE1 4.01Å; V117-F190 HydrophobicContact CG1-CD1 4.08Å; V117-F190 HydrophobicContact CG1-CE1 3.79Å; V117-F190 HydrophobicContact CG1-CZ 4.23Å; V117-F190 HydrophobicContact CG2-CD1 3.68Å; V117-F190 HydrophobicContact CG2-CE1 3.92Å; V117-E193 HydrophobicContact CG2-CB 3.91Å; V117-E193 HydrophobicContact CG2-CG 3.65Å; V117-L201 HydrophobicContact CG2-CD1 4.16Å; V117-F202 PolarHBondContact N-O 3.23Å; V117-D204 PolarHBondContact O-N 3.46Å
118C85.7Confident86.8Confident33 Ų3336.2 Ų36.222%0.22319%0.189CC..  trans-67.1161177.7-59.20000112.2Y116 K186Y116-C118 HydrophobicContact CE1-CB 4.32Å; C118-K186 PolarHBondContact O-NZ 3.41Å
119Q85.1Confident87.6Confident69 Ų6929.8 Ų29.832%0.32216%0.161SC..SBendtrans-58.6-50.7171.3178.6167.71200111.4K186 E205Q119-K186 PolarHBondContact O-NZ 3.09Å; Q119-E205 HydrophobicContact CG-CB 4.29Å; Q119-E205 PolarHBondContact NE2-OE2 3.38Å
120D81Confident88.4Confident108 Ų10828.6 Ų28.658%0.57815%0.154SC*.SBendtrans-82.7124.7-177.9-66.4-31.8000113.3L122D120-L122 HydrophobicContact CB-CG 4.25Å; D120-L122 PolarHBondContact O-N 3.08Å; D120-L122 VanDerWaalsContact O-N 3.09Å
121D83.4Confident89Confident35 Ų3530.7 Ų30.719%0.18716%0.164CC..  trans-86.673.6179-67-28.8000111.4F123 R185 K186 S189D121-F123 HydrophobicContact CB-CD2 4.29Å; D121-F123 HydrophobicContact CB-CE2 3.86Å; D121-F123 WeakPolarHBondContact O-CD2 3.45Å; D121-R185 HydrophobicContact CB-CG 3.82Å; D121-K186 WeakPolarHBondContact OD1-CD 3.45Å; D121-K186 IonicContact OD1-NZ 3Å; D121-K186 PolarHBondContact OD1-NZ 2.81Å; D121-K186 WeakPolarHBondContact OD2-CD 3.41Å; D121-K186 IonicContact OD2-NZ 2.74Å; D121-S189 VanDerWaalsContact CG-OG 3.24Å; D121-S189 WeakPolarHBondContact OD1-CB 3.28Å; D121-S189 PolarHBondContact OD1-OG 2.81Å
122L87.2Confident89.9Confident62 Ų6228 Ų2833%0.32515%0.154SC..  trans-80.4117.5178.6-60.8179.1000111.6D120 P430 V431 R434D120-L122 HydrophobicContact CB-CG 4.25Å; D120-L122 PolarHBondContact O-N 3.08Å; D120-L122 VanDerWaalsContact O-N 3.09Å; L122-P430 HydrophobicContact CD1-CB 4.15Å; L122-V431 HydrophobicContact CB-CG2 4.23Å; L122-R434 PolarHBondContact O-NH1 2.95Å; L122-R434 VanDerWaalsContact O-NH1 3.14Å; L122-R434 PolarHBondContact O-NH2 2.91Å
123F91.8Very high90.8Very high20 Ų2025.8 Ų25.89%0.08814%0.135CC..  trans-138.4155.3179.7-66.3-72.1000112.2D121 G125 H132 I171 R185 L188 S189D121-F123 HydrophobicContact CB-CD2 4.29Å; D121-F123 HydrophobicContact CB-CE2 3.86Å; D121-F123 WeakPolarHBondContact O-CD2 3.45Å; F123-G125 PolarHBondContact O-N 2.73Å; F123-H132 AromaticContact CD1-CE1 3.6Å; F123-H132 AromaticContact CD1-NE2 3.72Å; F123-H132 AromaticContact CE1-CE1 3.77Å; F123-H132 AromaticContact CE1-NE2 3.44Å; F123-H132 WeakPolarHBondContact CE1-NE2 3.31Å; F123-I171 HydrophobicContact CB-CD1 4.31Å; F123-I171 HydrophobicContact CB-CG2 3.78Å; F123-I171 HydrophobicContact CD1-CD1 4.42Å; F123-I171 HydrophobicContact CD2-CG2 4.13Å; F123-I171 HydrophobicContact CG-CD1 4.48Å; F123-I171 HydrophobicContact CG-CG2 4.06Å; F123-R185 HydrophobicContact CD2-CG 3.96Å; F123-R185 HydrophobicContact CE2-CG 3.72Å; F123-L188 HydrophobicContact CD1-CD2 4.27Å; F123-L188 HydrophobicContact CE1-CD2 3.98Å; F123-L188 HydrophobicContact CE1-CG 3.86Å; F123-L188 HydrophobicContact CE2-CD2 4.4Å; F123-L188 HydrophobicContact CZ-CB 4.18Å; F123-L188 HydrophobicContact CZ-CD2 4.04Å; F123-L188 HydrophobicContact CZ-CG 3.79Å; F123-S189 WeakPolarHBondContact CE2-OG 3.2Å; F123-S189 WeakPolarHBondContact CZ-OG 3.41Å
124I91.1Very high91.5Very high14 Ų1427.1 Ų27.17%0.07214%0.14CC..  trans-77.9100.7164-61.6169.8000107.5T126 L127 R359 T363 V431I124-T126 PolarHBondContact O-N 3.39Å; I124-T126 VanDerWaalsContact O-N 3.17Å; I124-L127 HydrophobicContact CB-CD1 3.94Å; I124-L127 HydrophobicContact CB-CG 4.23Å; I124-L127 HydrophobicContact CD1-CD1 4.36Å; I124-L127 HydrophobicContact CG2-CD1 4.07Å; I124-L127 HydrophobicContact CG2-CG 3.92Å; I124-L127 PolarHBondContact O-N 3.15Å; I124-R359 HydrophobicContact CD1-CG 4.02Å; I124-T363 HydrophobicContact CG2-CG2 3.82Å; I124-T363 WeakPolarHBondContact CG2-OG1 3.34Å; I124-V431 HydrophobicContact CG1-CG1 4.36Å
125G90.5Very high91.8Very high5 Ų526.5 Ų26.55%0.05214%0.136CC..THydrogen-bonded Turntrans-65.9-17.2-169.600000116.2F123 L127 G172F123-G125 PolarHBondContact O-N 2.73Å; G125-L127 VanDerWaalsContact C-N 3.33Å; G125-G172 WeakPolarHBondContact CA-O 3.12Å; G125-G172 WeakPolarHBondContact O-CA 3.43Å; G125-G172 PolarHBondContact O-N 3.4Å
126T90.7Very high92Very high12 Ų1226.4 Ų26.47%0.07414%0.135CC..THydrogen-bonded Turntrans-81-11.417951.10000113.7I124 D367I124-T126 PolarHBondContact O-N 3.39Å; I124-T126 VanDerWaalsContact O-N 3.17Å; T126-D367 HydrophobicContact CG2-CB 4.45Å
127L94.9Very high92.2Very high1 Ų125.8 Ų25.81%0.00513%0.132CC..SBendtrans-83.6153174.4-59.5175.6000110.8I124 G125 I135 T170 I171 R359 L362I124-L127 HydrophobicContact CB-CD1 3.94Å; I124-L127 HydrophobicContact CB-CG 4.23Å; I124-L127 HydrophobicContact CD1-CD1 4.36Å; I124-L127 HydrophobicContact CG2-CD1 4.07Å; I124-L127 HydrophobicContact CG2-CG 3.92Å; I124-L127 PolarHBondContact O-N 3.15Å; G125-L127 VanDerWaalsContact C-N 3.33Å; L127-I135 HydrophobicContact CD1-CD1 4Å; L127-I135 HydrophobicContact CD2-CD1 4.45Å; L127-T170 WeakPolarHBondContact O-CA 3.32Å; L127-I171 HydrophobicContact CB-CD1 4.46Å; L127-I171 WeakPolarHBondContact O-CG1 3.32Å; L127-I171 PolarHBondContact O-N 3.18Å; L127-R359 HydrophobicContact CD1-CG 3.96Å; L127-L362 HydrophobicContact CD2-CB 4.09Å; L127-L362 HydrophobicContact CD2-CD1 4.31Å
128T96.5Very high92.4Very high18 Ų1827 Ų2711%0.1114%0.136CC..BIsolated β-bridgetrans-78.6161.8167.164.90000111.5K130 E131 H132 V168 N169 T170T128-K130 VanDerWaalsContact C-N 3.34Å; T128-K130 PolarHBondContact O-N 2.84Å; T128-E131 WeakPolarHBondContact CB-OE2 3.21Å; T128-E131 WeakPolarHBondContact CG2-OE2 3.47Å; T128-E131 PolarHBondContact N-OE2 2.98Å; T128-E131 PolarHBondContact O-N 3.44Å; T128-E131 WeakPolarHBondContact OG1-CB 3.1Å; T128-E131 WeakPolarHBondContact OG1-CG 3.18Å; T128-E131 PolarHBondContact OG1-N 2.85Å; T128-E131 PolarHBondContact OG1-OE2 2.91Å; T128-H132 WeakPolarHBondContact O-CB 3.45Å; T128-H132 PolarHBondContact O-N 2.95Å; T128-V168 WeakPolarHBondContact CG2-O 3.4Å; T128-N169 VanDerWaalsContact CA-O 3.24Å; T128-N169 WeakPolarHBondContact CA-O 3.46Å; T128-T170 HydrophobicContact CG2-CG2 4.5Å
129V97.5Very high92.7Very high0 Ų025.6 Ų25.60%013%0.127CC..Hα-helixtrans-54.7-49175.8174.40000111.3H132 L133 L163 C166 A167 N169 I171 I180 L188V129-H132 PolarHBondContact O-N 3.16Å; V129-L133 HydrophobicContact CG1-CD1 4.25Å; V129-L133 WeakPolarHBondContact O-CG 3.1Å; V129-L133 PolarHBondContact O-N 3.47Å; V129-L133 VanDerWaalsContact O-N 3.09Å; V129-L163 HydrophobicContact CG1-CB 4.35Å; V129-L163 HydrophobicContact CG1-CD1 4.39Å; V129-C166 VanDerWaalsContact CG2-O 3.29Å; V129-C166 WeakPolarHBondContact CG2-O 3.03Å; V129-A167 PolarHBondContact N-O 3.41Å; V129-N169 PolarHBondContact N-O 3.3Å; V129-N169 VanDerWaalsContact N-O 3.16Å; V129-I171 HydrophobicContact CG2-CG1 4.38Å; V129-I180 HydrophobicContact CG2-CD1 3.98Å; V129-I180 HydrophobicContact CG2-CG2 3.88Å; V129-L188 HydrophobicContact CG1-CD1 3.87Å; V129-L188 HydrophobicContact CG2-CD2 4.32Å
130K97.7Very high92.9Very high65 Ų6523.4 Ų23.428%0.28312%0.115SC..Hα-helixtrans-64.3-43.7-179.6-175.2176.1178.3-179.20111.9T128 L133 F134 E151 V154 M158 A167T128-K130 VanDerWaalsContact C-N 3.34Å; T128-K130 PolarHBondContact O-N 2.84Å; K130-L133 PolarHBondContact O-N 2.87Å; K130-F134 VanDerWaalsContact O-CB 3.3Å; K130-F134 WeakPolarHBondContact O-CB 3.29Å; K130-F134 PolarHBondContact O-N 2.77Å; K130-E151 WeakPolarHBondContact CE-OE1 3.49Å; K130-E151 IonicContact NZ-OE1 3Å; K130-E151 PolarHBondContact NZ-OE1 3.21Å; K130-V154 HydrophobicContact CG-CG1 4.48Å; K130-M158 HydrophobicContact CB-CE 4.47Å; K130-M158 HydrophobicContact CB-SD 4.11Å; K130-M158 HydrophobicContact CD-CE 4.3Å; K130-M158 HydrophobicContact CG-CE 4.1Å; K130-M158 HydrophobicContact CG-SD 4.33Å; K130-A167 HydrophobicContact CB-CB 4.36Å; K130-A167 VanDerWaalsContact CB-O 3.3Å; K130-A167 WeakPolarHBondContact CB-O 3.42Å; K130-A167 PolarHBondContact N-O 2.99Å
131E97.1Very high93.4Very high45 Ų4518.2 Ų18.221%0.219%0.088CC..Hα-helixtrans-64.7-44.1179.2-73.3162.1157.800112.1T128 L133 F134 I135 R366T128-E131 WeakPolarHBondContact CB-OE2 3.21Å; T128-E131 WeakPolarHBondContact CG2-OE2 3.47Å; T128-E131 PolarHBondContact N-OE2 2.98Å; T128-E131 PolarHBondContact O-N 3.44Å; T128-E131 WeakPolarHBondContact OG1-CB 3.1Å; T128-E131 WeakPolarHBondContact OG1-CG 3.18Å; T128-E131 PolarHBondContact OG1-N 2.85Å; T128-E131 PolarHBondContact OG1-OE2 2.91Å; E131-L133 VanDerWaalsContact C-N 3.34Å; E131-L133 PolarHBondContact O-N 3.2Å; E131-F134 PolarHBondContact O-N 2.89Å; E131-I135 WeakPolarHBondContact O-CB 3.47Å; E131-I135 WeakPolarHBondContact O-CD1 3.06Å; E131-I135 VanDerWaalsContact O-CG1 3.26Å; E131-I135 WeakPolarHBondContact O-CG1 3.43Å; E131-I135 PolarHBondContact O-N 3.3Å; E131-R366 IonicContact OE1-CZ 3.94Å; E131-R366 IonicContact OE1-NH1 3.04Å; E131-R366 PolarHBondContact OE1-NH1 3.5Å; E131-R366 IonicContact OE1-NH2 2.89Å; E131-R366 PolarHBondContact OE1-NH2 2.86Å; E131-R366 IonicContact OE2-CZ 3.4Å; E131-R366 IonicContact OE2-NH1 3.54Å; E131-R366 PolarHBondContact OE2-NH1 2.96Å; E131-R366 IonicContact OE2-NH2 3.61Å
132H97Very high93.4Very high7 Ų717.9 Ų17.93%0.0329%0.087CC..Hα-helixtrans-57.6-49.3176172.477.2000110.6F123 T128 V129 F134 I135 Q136 I171 S192F123-H132 AromaticContact CD1-CE1 3.6Å; F123-H132 AromaticContact CD1-NE2 3.72Å; F123-H132 AromaticContact CE1-CE1 3.77Å; F123-H132 AromaticContact CE1-NE2 3.44Å; F123-H132 WeakPolarHBondContact CE1-NE2 3.31Å; T128-H132 WeakPolarHBondContact O-CB 3.45Å; T128-H132 PolarHBondContact O-N 2.95Å; V129-H132 PolarHBondContact O-N 3.16Å; H132-F134 VanDerWaalsContact C-N 3.34Å; H132-F134 PolarHBondContact O-N 3.22Å; H132-I135 PolarHBondContact O-N 2.95Å; H132-Q136 WeakPolarHBondContact O-CG 3.43Å; H132-Q136 PolarHBondContact O-N 3.12Å; H132-I171 HydrophobicContact CB-CD1 3.73Å; H132-S192 PolarHBondContact CD2-OG 2.89Å; H132-S192 PolarHBondContact NE2-OG 2.93Å
133L97.1Very high93.2Very high0 Ų024.3 Ų24.30%011%0.107CC..Hα-helixtrans-63.4-39.1178.2-70.5174.7000112.6V129 K130 E131 Q136 A137 V154 M158 L188 A191 L195V129-L133 HydrophobicContact CG1-CD1 4.25Å; V129-L133 WeakPolarHBondContact O-CG 3.1Å; V129-L133 PolarHBondContact O-N 3.47Å; V129-L133 VanDerWaalsContact O-N 3.09Å; K130-L133 PolarHBondContact O-N 2.87Å; E131-L133 VanDerWaalsContact C-N 3.34Å; E131-L133 PolarHBondContact O-N 3.2Å; L133-Q136 PolarHBondContact O-N 2.68Å; L133-A137 VanDerWaalsContact O-CB 3.31Å; L133-A137 WeakPolarHBondContact O-CB 3.3Å; L133-A137 PolarHBondContact O-N 3.44Å; L133-V154 HydrophobicContact CB-CG1 3.7Å; L133-V154 HydrophobicContact CB-CG2 4.25Å; L133-V154 HydrophobicContact CD1-CG1 4.42Å; L133-M158 HydrophobicContact CD1-CG 3.47Å; L133-M158 VanDerWaalsContact CD1-CG 3.47Å; L133-M158 HydrophobicContact CD1-SD 4.1Å; L133-L188 HydrophobicContact CD1-CD1 4.03Å; L133-L188 HydrophobicContact CD2-CD1 3.78Å; L133-L188 HydrophobicContact CG-CD1 3.7Å; L133-A191 HydrophobicContact CD1-CB 4.13Å; L133-A191 HydrophobicContact CD2-CB 3.63Å; L133-L195 HydrophobicContact CB-CD1 4.43Å; L133-L195 HydrophobicContact CD2-CD1 3.89Å; L133-L195 HydrophobicContact CD2-CG 4.36Å; L133-L195 WeakPolarHBondContact O-CD1 3.42Å
134F96.9Very high92.9Very high38 Ų3829.2 Ų29.217%0.16714%0.139CC..Hα-helixtrans-68.2-37.2177.9-171.9-114.1000112.9K130 E131 H132 A137 R138 D147 R150 E151 V154K130-F134 VanDerWaalsContact O-CB 3.3Å; K130-F134 WeakPolarHBondContact O-CB 3.29Å; K130-F134 PolarHBondContact O-N 2.77Å; E131-F134 PolarHBondContact O-N 2.89Å; H132-F134 VanDerWaalsContact C-N 3.34Å; H132-F134 PolarHBondContact O-N 3.22Å; F134-A137 PolarHBondContact O-N 2.95Å; F134-R138 PolarHBondContact O-N 3.29Å; F134-D147 HydrophobicContact CZ-CB 4.34Å; F134-R150 HydrophobicContact CE2-CB 4.17Å; F134-E151 HydrophobicContact CD2-CB 4.35Å; F134-E151 HydrophobicContact CE2-CB 3.95Å; F134-V154 HydrophobicContact CB-CG2 4.49Å; F134-V154 HydrophobicContact CD2-CG2 4.42Å
135I95.9Very high92.7Very high4 Ų430.1 Ų30.12%0.02114%0.144CC..Hα-helixtrans-62.8-47.3171.4-74.1163.3000110.2L127 E131 H132 A137 R138 L139 T355 R359L127-I135 HydrophobicContact CD1-CD1 4Å; L127-I135 HydrophobicContact CD2-CD1 4.45Å; E131-I135 WeakPolarHBondContact O-CB 3.47Å; E131-I135 WeakPolarHBondContact O-CD1 3.06Å; E131-I135 VanDerWaalsContact O-CG1 3.26Å; E131-I135 WeakPolarHBondContact O-CG1 3.43Å; E131-I135 PolarHBondContact O-N 3.3Å; H132-I135 PolarHBondContact O-N 2.95Å; I135-A137 VanDerWaalsContact C-N 3.32Å; I135-A137 PolarHBondContact O-N 3.04Å; I135-R138 PolarHBondContact O-N 2.89Å; I135-L139 HydrophobicContact CG2-CD1 4.04Å; I135-L139 WeakPolarHBondContact O-CG 3.36Å; I135-L139 PolarHBondContact O-N 3.15Å; I135-L139 VanDerWaalsContact O-N 3.08Å; I135-T355 HydrophobicContact CB-CG2 4.38Å; I135-T355 HydrophobicContact CG1-CG2 4.34Å; I135-T355 HydrophobicContact CG2-CG2 4Å; I135-R359 HydrophobicContact CD1-CB 3.88Å; I135-R359 HydrophobicContact CD1-CG 3.87Å
136Q94.6Very high92.8Very high2 Ų232.3 Ų32.31%0.00916%0.159CC..Hα-helixtrans-59.7-43.1175.5-69.3-61.6-29.200111.4H132 L133 R138 L139 R140 L195 E435H132-Q136 WeakPolarHBondContact O-CG 3.43Å; H132-Q136 PolarHBondContact O-N 3.12Å; L133-Q136 PolarHBondContact O-N 2.68Å; Q136-R138 PolarHBondContact O-N 3.29Å; Q136-L139 PolarHBondContact O-N 3.13Å; Q136-R140 VanDerWaalsContact O-CB 3.3Å; Q136-R140 WeakPolarHBondContact O-CB 3.47Å; Q136-R140 WeakPolarHBondContact O-CG 3.38Å; Q136-R140 PolarHBondContact O-N 3.36Å; Q136-L195 HydrophobicContact CB-CD1 3.56Å; Q136-E435 PolarHBondContact NE2-OE1 3.23Å
137A94.3Very high92.9Very high0 Ų034.1 Ų34.10%017%0.168CC..Hα-helixtrans-60.7-44.1177.300000111.8L133 F134 I135 L139 R140 L141 R150 V154 L195L133-A137 VanDerWaalsContact O-CB 3.31Å; L133-A137 WeakPolarHBondContact O-CB 3.3Å; L133-A137 PolarHBondContact O-N 3.44Å; F134-A137 PolarHBondContact O-N 2.95Å; I135-A137 VanDerWaalsContact C-N 3.32Å; I135-A137 PolarHBondContact O-N 3.04Å; A137-L139 VanDerWaalsContact C-N 3.3Å; A137-L139 PolarHBondContact O-N 3.4Å; A137-R140 PolarHBondContact O-N 2.85Å; A137-L141 HydrophobicContact CB-CD1 3.86Å; A137-L141 HydrophobicContact CB-CG 4.36Å; A137-L141 WeakPolarHBondContact O-CB 3.44Å; A137-L141 WeakPolarHBondContact O-CG 3.32Å; A137-L141 PolarHBondContact O-N 3.02Å; A137-R150 HydrophobicContact CB-CB 4.32Å; A137-V154 HydrophobicContact CB-CG2 3.66Å; A137-L195 HydrophobicContact CB-CD1 4.42Å; A137-L195 HydrophobicContact CB-CD2 4.38Å
138R94.1Very high92.9Very high29 Ų2942.2 Ų42.211%0.10920%0.203CC..Hα-helixtrans-63.3-32.3175.3-82.1-177.3167.2164.33.9113.9F134 I135 Q136 D147 T355F134-R138 PolarHBondContact O-N 3.29Å; I135-R138 PolarHBondContact O-N 2.89Å; Q136-R138 PolarHBondContact O-N 3.29Å; R138-D147 IonicContact CZ-OD2 3.76Å; R138-D147 IonicContact NE-OD1 2.77Å; R138-D147 PolarHBondContact NE-OD1 2.96Å; R138-D147 IonicContact NE-OD2 3.34Å; R138-D147 PolarHBondContact NE-OD2 2.96Å; R138-D147 IonicContact NH2-OD2 3.77Å; R138-D147 PolarHBondContact NH2-OD2 3.06Å; R138-T355 HydrophobicContact CB-CG2 3.92Å
139L92.7Very high92.8Very high3 Ų344.5 Ų44.52%0.01621%0.214CC..Hα-helixtrans-87.2-24.2-178.5-65.8174.2000113.5I135 Q136 A137 V347 Q352 T355 L356 I440I135-L139 HydrophobicContact CG2-CD1 4.04Å; I135-L139 WeakPolarHBondContact O-CG 3.36Å; I135-L139 PolarHBondContact O-N 3.15Å; I135-L139 VanDerWaalsContact O-N 3.08Å; Q136-L139 PolarHBondContact O-N 3.13Å; A137-L139 VanDerWaalsContact C-N 3.3Å; A137-L139 PolarHBondContact O-N 3.4Å; L139-V347 WeakPolarHBondContact O-CG2 3.48Å; L139-Q352 HydrophobicContact CD2-CB 4.22Å; L139-Q352 HydrophobicContact CD2-CG 4.14Å; L139-T355 HydrophobicContact CD1-CG2 4.44Å; L139-T355 HydrophobicContact CD2-CG2 4.09Å; L139-T355 HydrophobicContact CG-CG2 3.99Å; L139-L356 HydrophobicContact CD1-CD2 3.95Å; L139-L356 HydrophobicContact CD2-CG 4.45Å; L139-I440 HydrophobicContact CB-CG2 3.59Å; L139-I440 HydrophobicContact CD1-CG2 3.95Å; L139-I440 HydrophobicContact CG-CG2 4.4Å
140R90.1Very high92.6Very high23 Ų2345 Ų459%0.08722%0.216CC..Hα-helixtrans-112.9-33.2-170.8-62176.868.7157.21.6114.3Q136 A137 S192 E193 T196 N346 I440Q136-R140 VanDerWaalsContact O-CB 3.3Å; Q136-R140 WeakPolarHBondContact O-CB 3.47Å; Q136-R140 WeakPolarHBondContact O-CG 3.38Å; Q136-R140 PolarHBondContact O-N 3.36Å; A137-R140 PolarHBondContact O-N 2.85Å; R140-S192 PolarHBondContact NH1-O 2.83Å; R140-E193 IonicContact CZ-OE1 3.59Å; R140-E193 IonicContact CZ-OE2 3.33Å; R140-E193 IonicContact NH1-OE1 2.67Å; R140-E193 PolarHBondContact NH1-OE1 2.83Å; R140-E193 IonicContact NH1-OE2 3.45Å; R140-E193 PolarHBondContact NH1-OE2 2.87Å; R140-E193 IonicContact NH2-OE1 2.78Å; R140-E193 IonicContact NH2-OE2 2.67Å; R140-E193 PolarHBondContact NH2-OE2 3.08Å; R140-T196 HydrophobicContact CB-CG2 3.68Å; R140-N346 PolarHBondContact O-ND2 3.45Å; R140-I440 HydrophobicContact CG-CB 4.44Å; R140-I440 HydrophobicContact CG-CD1 4.44Å; R140-I440 HydrophobicContact CG-CG1 3.99Å; R140-I440 HydrophobicContact CG-CG2 3.9Å
141L89.5Confident92.6Very high0 Ų045.9 Ų45.90%022%0.221CC..SBendtrans-75.3153.2-177.9-65.1-179.8000111.6Y7 A137 L145 R150 R153 L195 T196Y7-L141 HydrophobicContact CE2-CD2 4.26Å; A137-L141 HydrophobicContact CB-CD1 3.86Å; A137-L141 HydrophobicContact CB-CG 4.36Å; A137-L141 WeakPolarHBondContact O-CB 3.44Å; A137-L141 WeakPolarHBondContact O-CG 3.32Å; A137-L141 PolarHBondContact O-N 3.02Å; L141-L145 HydrophobicContact CB-CD1 3.99Å; L141-L145 HydrophobicContact CD1-CD1 4.43Å; L141-R150 HydrophobicContact CD1-CB 4.43Å; L141-R150 HydrophobicContact CD1-CG 4.12Å; L141-R153 HydrophobicContact CD1-CB 4.22Å; L141-R153 HydrophobicContact CD1-CG 4.07Å; L141-L195 WeakPolarHBondContact CD2-O 3.32Å; L141-T196 HydrophobicContact CD2-CG2 4.49Å
142P85.1Confident92.5Very high27 Ų2746.6 Ų46.618%0.17524%0.235CC..  trans-48.6141.9178.6-30.434.8000114V10 T144 L145 R150V10-P142 HydrophobicContact CG2-CG 3.67Å; P142-T144 PolarHBondContact O-N 3.3Å; P142-L145 HydrophobicContact CB-CD1 4.35Å; P142-L145 HydrophobicContact CG-CD1 4.33Å; P142-L145 PolarHBondContact O-N 3.49Å; P142-R150 PolarHBondContact O-NH2 3.42Å
143R82.6Confident92.4Very high197 Ų19746.7 Ų46.774%0.74324%0.235SC*.THydrogen-bonded Turntrans-60.5-22.9176.163.2-179.1176.4178.3-1.5114.1L145 V347R143-L145 VanDerWaalsContact C-N 3.26Å; R143-L145 PolarHBondContact O-N 2.88Å; R143-V347 HydrophobicContact CB-CG1 4.33Å
144T85.2Confident92.4Very high124 Ų12446.7 Ų46.776%0.76124%0.235SC*.THydrogen-bonded Turntrans-70-21.8179.849.10000113.1P142P142-T144 PolarHBondContact O-N 3.3Å
145L87.8Confident92.4Very high32 Ų3248 Ų4817%0.16824%0.242CC..SBendtrans-75.7140.1179.3-68.1164.7000111Y7 L141 P142 R143 D149 R150Y7-L145 HydrophobicContact CD2-CD1 4.02Å; Y7-L145 HydrophobicContact CD2-CD2 4.41Å; Y7-L145 HydrophobicContact CE2-CD1 3.83Å; L141-L145 HydrophobicContact CB-CD1 3.99Å; L141-L145 HydrophobicContact CD1-CD1 4.43Å; P142-L145 HydrophobicContact CB-CD1 4.35Å; P142-L145 HydrophobicContact CG-CD1 4.33Å; P142-L145 PolarHBondContact O-N 3.49Å; R143-L145 VanDerWaalsContact C-N 3.26Å; R143-L145 PolarHBondContact O-N 2.88Å; L145-D149 HydrophobicContact CB-CB 4.22Å; L145-D149 HydrophobicContact CD2-CB 3.84Å; L145-R150 HydrophobicContact CB-CG 4.38Å; L145-R150 PolarHBondContact O-NH1 3.22Å; L145-R150 PolarHBondContact O-NH2 2.96Å
146S92.1Very high92.4Very high52 Ų5251.4 Ų51.436%0.36426%0.258SS..  trans-74.2162.417175.20000110.6K148 D149 R150S146-K148 PolarHBondContact O-N 3.31Å; S146-K148 PolarHBondContact OG-N 3.46Å; S146-D149 VanDerWaalsContact CB-OD2 3.3Å; S146-D149 WeakPolarHBondContact CB-OD2 3.49Å; S146-D149 PolarHBondContact N-OD2 3.36Å; S146-D149 PolarHBondContact O-N 3.3Å; S146-D149 VanDerWaalsContact O-N 3.15Å; S146-D149 PolarHBondContact OG-N 2.8Å; S146-D149 PolarHBondContact OG-OD2 2.91Å; S146-R150 WeakPolarHBondContact O-CG 3.44Å; S146-R150 PolarHBondContact O-N 3.06Å
147D92.4Very high92.4Very high49 Ų4951.3 Ų51.326%0.26226%0.257SS..Hα-helixtrans-62.7-27.1174-86.5-3.1000112.4F134 R138 R150 E151 R354F134-D147 HydrophobicContact CZ-CB 4.34Å; R138-D147 IonicContact CZ-OD2 3.76Å; R138-D147 IonicContact NE-OD1 2.77Å; R138-D147 PolarHBondContact NE-OD1 2.96Å; R138-D147 IonicContact NE-OD2 3.34Å; R138-D147 PolarHBondContact NE-OD2 2.96Å; R138-D147 IonicContact NH2-OD2 3.77Å; R138-D147 PolarHBondContact NH2-OD2 3.06Å; D147-R150 PolarHBondContact O-N 2.63Å; D147-R150 IonicContact OD1-CZ 2.72Å; D147-R150 IonicContact OD1-NH1 3.58Å; D147-R150 PolarHBondContact OD1-NH1 3.13Å; D147-E151 WeakPolarHBondContact O-CB 3.46Å; D147-E151 PolarHBondContact O-N 3.46Å; D147-R354 IonicContact OD2-NH2 3.83Å
148K94.8Very high92.5Very high171 Ų17151.4 Ų51.474%0.74326%0.258SS*.Hα-helixtrans-66.5-42.7172.5-70.8-173.2176.8-177.70111.7S146 R150 E151 A152S146-K148 PolarHBondContact O-N 3.31Å; S146-K148 PolarHBondContact OG-N 3.46Å; K148-R150 VanDerWaalsContact C-N 3.33Å; K148-E151 PolarHBondContact O-N 3.29Å; K148-A152 PolarHBondContact O-N 2.89Å
149D94.5Very high92.5Very high66 Ų6655.9 Ų55.935%0.35328%0.28SS..Hα-helixtrans-66.7-38.2177.2-53.2-47.6000111.2L145 S146 E151 A152 R153L145-D149 HydrophobicContact CB-CB 4.22Å; L145-D149 HydrophobicContact CD2-CB 3.84Å; S146-D149 VanDerWaalsContact CB-OD2 3.3Å; S146-D149 WeakPolarHBondContact CB-OD2 3.49Å; S146-D149 PolarHBondContact N-OD2 3.36Å; S146-D149 PolarHBondContact O-N 3.3Å; S146-D149 VanDerWaalsContact O-N 3.15Å; S146-D149 PolarHBondContact OG-N 2.8Å; S146-D149 PolarHBondContact OG-OD2 2.91Å; D149-E151 VanDerWaalsContact C-N 3.35Å; D149-A152 PolarHBondContact O-N 3.34Å; D149-R153 PolarHBondContact O-N 2.73Å
150R94.3Very high92.3Very high10 Ų1059.8 Ų59.84%0.03830%0.298CS..Hα-helixtrans-61.6-43.6173.5-66.8-177-179.190.520.2111.3F134 A137 L141 P142 L145 S146 D147 K148 R153 V154F134-R150 HydrophobicContact CE2-CB 4.17Å; A137-R150 HydrophobicContact CB-CB 4.32Å; L141-R150 HydrophobicContact CD1-CB 4.43Å; L141-R150 HydrophobicContact CD1-CG 4.12Å; P142-R150 PolarHBondContact O-NH2 3.42Å; L145-R150 HydrophobicContact CB-CG 4.38Å; L145-R150 PolarHBondContact O-NH1 3.22Å; L145-R150 PolarHBondContact O-NH2 2.96Å; S146-R150 WeakPolarHBondContact O-CG 3.44Å; S146-R150 PolarHBondContact O-N 3.06Å; D147-R150 PolarHBondContact O-N 2.63Å; D147-R150 IonicContact OD1-CZ 2.72Å; D147-R150 IonicContact OD1-NH1 3.58Å; D147-R150 PolarHBondContact OD1-NH1 3.13Å; K148-R150 VanDerWaalsContact C-N 3.33Å; R150-R153 PolarHBondContact O-N 3.17Å; R150-V154 VanDerWaalsContact O-CG2 3.29Å; R150-V154 WeakPolarHBondContact O-CG2 3.39Å; R150-V154 PolarHBondContact O-N 3.4Å
151E96Very high92.4Very high84 Ų8458.9 Ų58.939%0.39330%0.295SS..Hα-helixtrans-66.2-40.9177.9-169.7167.1-165.200111.9K130 F134 D147 K148 D149 R153 V154 E155K130-E151 WeakPolarHBondContact CE-OE1 3.49Å; K130-E151 IonicContact NZ-OE1 3Å; K130-E151 PolarHBondContact NZ-OE1 3.21Å; F134-E151 HydrophobicContact CD2-CB 4.35Å; F134-E151 HydrophobicContact CE2-CB 3.95Å; D147-E151 WeakPolarHBondContact O-CB 3.46Å; D147-E151 PolarHBondContact O-N 3.46Å; K148-E151 PolarHBondContact O-N 3.29Å; D149-E151 VanDerWaalsContact C-N 3.35Å; E151-R153 VanDerWaalsContact C-N 3.34Å; E151-R153 PolarHBondContact O-N 2.76Å; E151-V154 WeakPolarHBondContact O-CB 3.45Å; E151-V154 PolarHBondContact O-N 2.91Å; E151-E155 PolarHBondContact O-N 3.08Å
152A96.1Very high92.5Very high60 Ų6060.9 Ų60.950%0.49632%0.315SS..Hα-helixtrans-59.9-42.5174.300000112K148 D149 E155 E156K148-A152 PolarHBondContact O-N 2.89Å; D149-A152 PolarHBondContact O-N 3.34Å; A152-E155 PolarHBondContact O-N 3.26Å; A152-E156 PolarHBondContact O-N 3.44Å
153R95Very high93Very high10 Ų1059.6 Ų59.64%0.03831%0.307CS..Hα-helixtrans-64.1-39.5174.9-179.557.5-179.1168.73.2112.3L141 D149 R150 E151 E155 E156 V157 V194 L195 D197L141-R153 HydrophobicContact CD1-CB 4.22Å; L141-R153 HydrophobicContact CD1-CG 4.07Å; D149-R153 PolarHBondContact O-N 2.73Å; R150-R153 PolarHBondContact O-N 3.17Å; E151-R153 VanDerWaalsContact C-N 3.34Å; E151-R153 PolarHBondContact O-N 2.76Å; R153-E155 VanDerWaalsContact C-N 3.34Å; R153-E156 WeakPolarHBondContact CD-OE2 3.42Å; R153-E156 IonicContact CZ-OE2 3Å; R153-E156 IonicContact NH1-OE1 2.69Å; R153-E156 PolarHBondContact NH1-OE1 2.98Å; R153-E156 IonicContact NH1-OE2 3.91Å; R153-E156 PolarHBondContact NH1-OE2 3.42Å; R153-E156 PolarHBondContact O-N 3.48Å; R153-V157 WeakPolarHBondContact O-CG2 3.5Å; R153-V157 PolarHBondContact O-N 2.89Å; R153-V194 PolarHBondContact NH2-O 3.23Å; R153-L195 HydrophobicContact CG-CD2 4.43Å; R153-L195 PolarHBondContact NE-O 3.36Å; R153-L195 VanDerWaalsContact NE-O 3.1Å; R153-D197 IonicContact NH2-OD1 2.8Å
154V97.1Very high93.6Very high0 Ų054.3 Ų54.30%029%0.289CS..Hα-helixtrans-62.7-44175.7168.80000110.7K130 L133 F134 A137 R150 E151 V157 M158 L195K130-V154 HydrophobicContact CG-CG1 4.48Å; L133-V154 HydrophobicContact CB-CG1 3.7Å; L133-V154 HydrophobicContact CB-CG2 4.25Å; L133-V154 HydrophobicContact CD1-CG1 4.42Å; F134-V154 HydrophobicContact CB-CG2 4.49Å; F134-V154 HydrophobicContact CD2-CG2 4.42Å; A137-V154 HydrophobicContact CB-CG2 3.66Å; R150-V154 VanDerWaalsContact O-CG2 3.29Å; R150-V154 WeakPolarHBondContact O-CG2 3.39Å; R150-V154 PolarHBondContact O-N 3.4Å; E151-V154 WeakPolarHBondContact O-CB 3.45Å; E151-V154 PolarHBondContact O-N 2.91Å; V154-V157 PolarHBondContact O-N 2.97Å; V154-M158 HydrophobicContact CG1-CE 3.99Å; V154-M158 HydrophobicContact CG1-CG 4.43Å; V154-M158 HydrophobicContact CG1-SD 4.29Å; V154-M158 WeakPolarHBondContact O-CB 3.4Å; V154-M158 WeakPolarHBondContact O-CG 3.37Å; V154-M158 PolarHBondContact O-N 3.24Å; V154-L195 HydrophobicContact CG2-CD2 3.87Å
155E96.8Very high94.1Very high66 Ų6658 Ų5831%0.30830%0.295SS..Hα-helixtrans-62.6-43.8177.8-168.861.8-154.100111.9E151 A152 R153 V157 M158 E159 K164E151-E155 PolarHBondContact O-N 3.08Å; A152-E155 PolarHBondContact O-N 3.26Å; R153-E155 VanDerWaalsContact C-N 3.34Å; E155-V157 PolarHBondContact O-N 3.12Å; E155-M158 PolarHBondContact O-N 3.47Å; E155-M158 WeakPolarHBondContact OE2-CE 3.19Å; E155-E159 WeakPolarHBondContact O-CB 3.32Å; E155-E159 PolarHBondContact O-N 3.11Å; E155-K164 WeakPolarHBondContact OE1-CD 3.43Å; E155-K164 WeakPolarHBondContact OE1-CE 3.43Å; E155-K164 IonicContact OE1-NZ 2.74Å; E155-K164 PolarHBondContact OE1-NZ 3.24Å
156E94.9Very high94.5Very high75 Ų7556.5 Ų56.535%0.3529%0.287SS..Hα-helixtrans-58.1-47.6175.1-170.8-159.9159.600111.6A152 R153 E159 Q160A152-E156 PolarHBondContact O-N 3.44Å; R153-E156 WeakPolarHBondContact CD-OE2 3.42Å; R153-E156 IonicContact CZ-OE2 3Å; R153-E156 IonicContact NH1-OE1 2.69Å; R153-E156 PolarHBondContact NH1-OE1 2.98Å; R153-E156 IonicContact NH1-OE2 3.91Å; R153-E156 PolarHBondContact NH1-OE2 3.42Å; R153-E156 PolarHBondContact O-N 3.48Å; E156-E159 WeakPolarHBondContact O-CB 3.48Å; E156-E159 PolarHBondContact O-N 3.05Å; E156-Q160 WeakPolarHBondContact O-CG 3.29Å; E156-Q160 PolarHBondContact O-N 3.5Å; E156-Q160 PolarHBondContact OE1-NE2 3.47Å
157V94.7Very high94.7Very high0 Ų054.6 Ų54.60%027%0.274CS..Hα-helixtrans-67.4-39.4179.9171.20000111.5R153 V154 E155 E159 Q160 L161 A191 V194 L195R153-V157 WeakPolarHBondContact O-CG2 3.5Å; R153-V157 PolarHBondContact O-N 2.89Å; V154-V157 PolarHBondContact O-N 2.97Å; E155-V157 PolarHBondContact O-N 3.12Å; V157-E159 VanDerWaalsContact C-N 3.26Å; V157-E159 PolarHBondContact O-N 3.06Å; V157-Q160 PolarHBondContact O-N 2.9Å; V157-L161 HydrophobicContact CG1-CD1 3.79Å; V157-L161 HydrophobicContact CG1-CG 4.48Å; V157-L161 WeakPolarHBondContact O-CG 3.29Å; V157-L161 PolarHBondContact O-N 3.49Å; V157-L161 VanDerWaalsContact O-N 3.08Å; V157-A191 HydrophobicContact CG1-CB 3.77Å; V157-V194 HydrophobicContact CG2-CG1 4.47Å; V157-L195 HydrophobicContact CB-CD2 4.34Å; V157-L195 HydrophobicContact CG2-CD2 4.15Å
158M96Very high94.9Very high1 Ų157.7 Ų57.71%0.00530%0.295CS..Hα-helixtrans-63.2-34.7174.7-74.2-169.5-55.200111.9K130 L133 V154 E155 G162 L163 K164 A167K130-M158 HydrophobicContact CB-CE 4.47Å; K130-M158 HydrophobicContact CB-SD 4.11Å; K130-M158 HydrophobicContact CD-CE 4.3Å; K130-M158 HydrophobicContact CG-CE 4.1Å; K130-M158 HydrophobicContact CG-SD 4.33Å; L133-M158 HydrophobicContact CD1-CG 3.47Å; L133-M158 VanDerWaalsContact CD1-CG 3.47Å; L133-M158 HydrophobicContact CD1-SD 4.1Å; V154-M158 HydrophobicContact CG1-CE 3.99Å; V154-M158 HydrophobicContact CG1-CG 4.43Å; V154-M158 HydrophobicContact CG1-SD 4.29Å; V154-M158 WeakPolarHBondContact O-CB 3.4Å; V154-M158 WeakPolarHBondContact O-CG 3.37Å; V154-M158 PolarHBondContact O-N 3.24Å; E155-M158 PolarHBondContact O-N 3.47Å; E155-M158 WeakPolarHBondContact OE2-CE 3.19Å; M158-G162 PolarHBondContact O-N 3.32Å; M158-G162 VanDerWaalsContact O-N 3.15Å; M158-L163 HydrophobicContact CB-CB 4.25Å; M158-L163 HydrophobicContact CG-CB 4.29Å; M158-L163 PolarHBondContact O-N 3.07Å; M158-K164 HydrophobicContact CB-CG 4.36Å; M158-K164 PolarHBondContact O-N 3.15Å; M158-A167 HydrophobicContact CE-CB 4.29Å; M158-A167 HydrophobicContact SD-CB 3.74Å
159E94.1Very high95Very high123 Ų12353.3 Ų53.358%0.57528%0.279SS*.Hα-helixtrans-67.9-52.2174.4-165.9156179.200111.7E155 E156 V157 L161 G162 K164E155-E159 WeakPolarHBondContact O-CB 3.32Å; E155-E159 PolarHBondContact O-N 3.11Å; E156-E159 WeakPolarHBondContact O-CB 3.48Å; E156-E159 PolarHBondContact O-N 3.05Å; V157-E159 VanDerWaalsContact C-N 3.26Å; V157-E159 PolarHBondContact O-N 3.06Å; E159-L161 PolarHBondContact O-N 3.15Å; E159-G162 PolarHBondContact O-N 3.18Å; E159-G162 VanDerWaalsContact O-N 3.08Å; E159-K164 VanDerWaalsContact CB-CE 3.45Å; E159-K164 WeakPolarHBondContact OE2-CE 3.49Å; E159-K164 IonicContact OE2-NZ 2.9Å; E159-K164 PolarHBondContact OE2-NZ 2.79Å
160Q90Very high95Very high85 Ų8552.8 Ų52.840%0.39728%0.279SS..Hα-helixtrans-57.4-36.2-178.4-74.7174.62.900112.8E156 V157E156-Q160 WeakPolarHBondContact O-CG 3.29Å; E156-Q160 PolarHBondContact O-N 3.5Å; E156-Q160 PolarHBondContact OE1-NE2 3.47Å; V157-Q160 PolarHBondContact O-N 2.9Å
161L92.1Very high95.1Very high5 Ų552.3 Ų52.33%0.02628%0.277CS..THydrogen-bonded Turntrans-99.44.4-177.4-53.1175.4000113V157 E159 L163 R187 F190 A191 M221 L225V157-L161 HydrophobicContact CG1-CD1 3.79Å; V157-L161 HydrophobicContact CG1-CG 4.48Å; V157-L161 WeakPolarHBondContact O-CG 3.29Å; V157-L161 PolarHBondContact O-N 3.49Å; V157-L161 VanDerWaalsContact O-N 3.08Å; E159-L161 PolarHBondContact O-N 3.15Å; L161-L163 HydrophobicContact CB-CD1 4.32Å; L161-L163 HydrophobicContact CB-CG 4.39Å; L161-L163 PolarHBondContact O-N 2.94Å; L161-R187 WeakPolarHBondContact O-CD 3.2Å; L161-R187 PolarHBondContact O-NH1 3.19Å; L161-R187 VanDerWaalsContact O-NH1 3.13Å; L161-F190 HydrophobicContact CD1-CB 4.39Å; L161-A191 HydrophobicContact CD1-CB 3.4Å; L161-A191 VanDerWaalsContact CD1-CB 3.4Å; L161-M221 HydrophobicContact CB-SD 4.35Å; L161-M221 HydrophobicContact CD2-CE 4.35Å; L161-M221 HydrophobicContact CD2-CG 3.43Å; L161-M221 VanDerWaalsContact CD2-CG 3.43Å; L161-M221 HydrophobicContact CD2-SD 3.46Å; L161-M221 WeakPolarHBondContact CD2-SD 3.45Å; L161-M221 HydrophobicContact CG-SD 4.38Å; L161-L225 HydrophobicContact CD2-CD1 4.13Å
162G91.8Very high94.9Very high41 Ų4148.4 Ų48.442%0.42326%0.259SS..THydrogen-bonded Turntrans64.339.9175.900000113.8M158 E159 R187M158-G162 PolarHBondContact O-N 3.32Å; M158-G162 VanDerWaalsContact O-N 3.15Å; E159-G162 PolarHBondContact O-N 3.18Å; E159-G162 VanDerWaalsContact O-N 3.08Å; G162-R187 PolarHBondContact O-NH1 3.13Å
163L95.4Very high94.3Very high0 Ų047.4 Ų47.40%025%0.247CC..  trans-100.9-5.7179.2-67.8172.5000113.6V129 M158 L161 K165 C166 A167 R187 L188 A191V129-L163 HydrophobicContact CG1-CB 4.35Å; V129-L163 HydrophobicContact CG1-CD1 4.39Å; M158-L163 HydrophobicContact CB-CB 4.25Å; M158-L163 HydrophobicContact CG-CB 4.29Å; M158-L163 PolarHBondContact O-N 3.07Å; L161-L163 HydrophobicContact CB-CD1 4.32Å; L161-L163 HydrophobicContact CB-CG 4.39Å; L161-L163 PolarHBondContact O-N 2.94Å; L163-K165 VanDerWaalsContact C-N 3.26Å; L163-K165 PolarHBondContact O-N 3.34Å; L163-C166 CarbonylContact O-C 3.54Å; L163-C166 PolarHBondContact O-N 2.9Å; L163-C166 PolarHBondContact O-SG 3.49Å; L163-C166 VanDerWaalsContact O-SG 3.32Å; L163-A167 PolarHBondContact O-N 3.1Å; L163-R187 HydrophobicContact CD2-CB 3.88Å; L163-R187 HydrophobicContact CG-CB 4.34Å; L163-L188 HydrophobicContact CD1-CB 4.48Å; L163-A191 HydrophobicContact CD1-CB 3.68Å
164K95.3Very high93.6Very high86 Ų8652 Ų5237%0.37428%0.278SS..G310 helixtrans-53-41.2-179.3-72.7-153.9-170.9-162.80113.5E155 M158 E159 C166 A167E155-K164 WeakPolarHBondContact OE1-CD 3.43Å; E155-K164 WeakPolarHBondContact OE1-CE 3.43Å; E155-K164 IonicContact OE1-NZ 2.74Å; E155-K164 PolarHBondContact OE1-NZ 3.24Å; M158-K164 HydrophobicContact CB-CG 4.36Å; M158-K164 PolarHBondContact O-N 3.15Å; E159-K164 VanDerWaalsContact CB-CE 3.45Å; E159-K164 WeakPolarHBondContact OE2-CE 3.49Å; E159-K164 IonicContact OE2-NZ 2.9Å; E159-K164 PolarHBondContact OE2-NZ 2.79Å; K164-C166 PolarHBondContact O-N 3.09Å; K164-A167 VanDerWaalsContact O-CB 3.29Å; K164-A167 WeakPolarHBondContact O-CB 3.39Å; K164-A167 PolarHBondContact O-N 3.14Å
165K95.2Very high92.8Very high202 Ų20256.6 Ų56.688%0.87833%0.325SS*.G310 helixtrans-62.3-30.4-178.9-68.1-172.7178.1-175.40113.2L163L163-K165 VanDerWaalsContact C-N 3.26Å; L163-K165 PolarHBondContact O-N 3.34Å
166C95.8Very high91.9Very high1 Ų158.6 Ų58.61%0.00733%0.33CS..G310 helixtrans-108.512.1-179.961.20000113V129 L163 K164 V168 N169 I180V129-C166 VanDerWaalsContact CG2-O 3.29Å; V129-C166 WeakPolarHBondContact CG2-O 3.03Å; L163-C166 CarbonylContact O-C 3.54Å; L163-C166 PolarHBondContact O-N 2.9Å; L163-C166 PolarHBondContact O-SG 3.49Å; L163-C166 VanDerWaalsContact O-SG 3.32Å; K164-C166 PolarHBondContact O-N 3.09Å; C166-V168 VanDerWaalsContact C-N 3.27Å; C166-V168 PolarHBondContact O-N 3.28Å; C166-N169 HydrophobicContact CB-CB 4.34Å; C166-N169 WeakPolarHBondContact O-CB 3.44Å; C166-N169 PolarHBondContact O-N 3.5Å; C166-I180 HydrophobicContact CB-CG2 4.07Å
167A96.6Very high91.3Very high11 Ų1157.6 Ų57.69%0.09133%0.329CS..THydrogen-bonded Turntrans-55.8-39-174.400000113.3V129 K130 M158 L163 K164V129-A167 PolarHBondContact N-O 3.41Å; K130-A167 HydrophobicContact CB-CB 4.36Å; K130-A167 VanDerWaalsContact CB-O 3.3Å; K130-A167 WeakPolarHBondContact CB-O 3.42Å; K130-A167 PolarHBondContact N-O 2.99Å; M158-A167 HydrophobicContact CE-CB 4.29Å; M158-A167 HydrophobicContact SD-CB 3.74Å; L163-A167 PolarHBondContact O-N 3.1Å; K164-A167 VanDerWaalsContact O-CB 3.29Å; K164-A167 WeakPolarHBondContact O-CB 3.39Å; K164-A167 PolarHBondContact O-N 3.14Å
168V96.4Very high91Very high115 Ų11567.1 Ų67.170%0.69737%0.37SS*.THydrogen-bonded Turntrans-92.6-3.8180-61.70000113.4T128 C166T128-V168 WeakPolarHBondContact CG2-O 3.4Å; C166-V168 VanDerWaalsContact C-N 3.27Å; C166-V168 PolarHBondContact O-N 3.28Å
169N96.1Very high90.9Very high78 Ų7868.6 Ų68.642%0.41739%0.385SS..SBendtrans-79.1142.9-179.8-6513000109.7T128 V129 C166 I180T128-N169 VanDerWaalsContact CA-O 3.24Å; T128-N169 WeakPolarHBondContact CA-O 3.46Å; V129-N169 PolarHBondContact N-O 3.3Å; V129-N169 VanDerWaalsContact N-O 3.16Å; C166-N169 HydrophobicContact CB-CB 4.34Å; C166-N169 WeakPolarHBondContact O-CB 3.44Å; C166-N169 PolarHBondContact O-N 3.5Å; N169-I180 HydrophobicContact CB-CG2 3.95Å
170T95Very high90.9Very high55 Ų5563.4 Ų63.434%0.33736%0.361SS..BIsolated β-bridgetrans-65.4138.8171.248.50000110.6L127 T128 G172 G179 I180L127-T170 WeakPolarHBondContact O-CA 3.32Å; T128-T170 HydrophobicContact CG2-CG2 4.5Å; T170-G172 PolarHBondContact O-N 3.13Å; T170-G179 WeakPolarHBondContact O-CA 3.35Å; T170-I180 PolarHBondContact O-N 3.27Å
171I95.8Very high91Very high0 Ų061.5 Ų61.50%036%0.357CS..  trans-62.2-32.8-179.9-63.8165000111.1F123 L127 V129 H132 I180 R185 L188F123-I171 HydrophobicContact CB-CD1 4.31Å; F123-I171 HydrophobicContact CB-CG2 3.78Å; F123-I171 HydrophobicContact CD1-CD1 4.42Å; F123-I171 HydrophobicContact CD2-CG2 4.13Å; F123-I171 HydrophobicContact CG-CD1 4.48Å; F123-I171 HydrophobicContact CG-CG2 4.06Å; L127-I171 HydrophobicContact CB-CD1 4.46Å; L127-I171 WeakPolarHBondContact O-CG1 3.32Å; L127-I171 PolarHBondContact O-N 3.18Å; V129-I171 HydrophobicContact CG2-CG1 4.38Å; H132-I171 HydrophobicContact CB-CD1 3.73Å; I171-I180 HydrophobicContact CG1-CD1 4.47Å; I171-I180 HydrophobicContact CG2-CD1 4.25Å; I171-I180 PolarHBondContact O-N 3.43Å; I171-R185 PolarHBondContact O-NH2 3.2Å; I171-L188 HydrophobicContact CD1-CD2 3.6Å; I171-L188 HydrophobicContact CG1-CD2 3.63Å; I171-L188 HydrophobicContact CG2-CD2 4.36Å
172G91.7Very high90.8Very high2 Ų263 Ų632%0.02137%0.374CS..  trans86.5152178.700000113.2G125 T170 V177 R185G125-G172 WeakPolarHBondContact CA-O 3.12Å; G125-G172 WeakPolarHBondContact O-CA 3.43Å; G125-G172 PolarHBondContact O-N 3.4Å; T170-G172 PolarHBondContact O-N 3.13Å; G172-V177 CarbonylContact C-O 3.59Å; G172-V177 VanDerWaalsContact CA-O 3.22Å; G172-V177 WeakPolarHBondContact CA-O 3.45Å; G172-R185 PolarHBondContact O-NH2 3.43Å
173V84.5Confident90.6Very high40 Ų4061.2 Ų61.224%0.24236%0.355CS..BIsolated β-bridgetrans-108.5114.3174.6-179.80000106.3G175 R176 V177V173-G175 PolarHBondContact O-N 3.12Å; V173-R176 HydrophobicContact CB-CB 4.14Å; V173-R176 HydrophobicContact CG1-CB 3.95Å; V173-R176 PolarHBondContact O-N 2.9Å; V173-V177 HydrophobicContact CB-CB 4.17Å; V173-V177 HydrophobicContact CB-CG2 4.33Å; V173-V177 HydrophobicContact CG2-CB 4.4Å; V173-V177 HydrophobicContact CG2-CG2 4.37Å; V173-V177 PolarHBondContact N-O 3Å; V173-V177 PolarHBondContact O-N 3.29Å; V173-V177 VanDerWaalsContact O-O 3.08Å
174P81.2Confident90.5Very high106 Ų10663.2 Ų63.269%0.68837%0.365SS*.THydrogen-bonded Turntrans-48.3129.1-179.5-28.235.3000111.7R176P174-R176 PolarHBondContact O-N 3.27Å; P174-R176 VanDerWaalsContact O-N 3.17Å
175G78.6Confident90.3Very high96 Ų9661 Ų6199%0.9935%0.354SS*.THydrogen-bonded Turntrans76.1-13.6-178.600000116.6V173V173-G175 PolarHBondContact O-N 3.12Å
176R79.2Confident90.1Very high109 Ų10951.4 Ų51.441%0.41131%0.313SS..THydrogen-bonded Turntrans-118.4-45.5-175.9-156.9-175.184.4178.24.4114.2V173 P174 D367V173-R176 HydrophobicContact CB-CB 4.14Å; V173-R176 HydrophobicContact CG1-CB 3.95Å; V173-R176 PolarHBondContact O-N 2.9Å; P174-R176 PolarHBondContact O-N 3.27Å; P174-R176 VanDerWaalsContact O-N 3.17Å; R176-D367 IonicContact CZ-OD1 3.93Å; R176-D367 IonicContact CZ-OD2 3.22Å; R176-D367 VanDerWaalsContact CZ-OD2 3.31Å; R176-D367 IonicContact NH1-OD2 3.6Å; R176-D367 PolarHBondContact NH1-OD2 2.79Å; R176-D367 IonicContact NH2-OD1 3.19Å; R176-D367 PolarHBondContact NH2-OD1 2.88Å; R176-D367 IonicContact NH2-OD2 2.79Å; R176-D367 PolarHBondContact NH2-OD2 3.01Å
177V81.9Confident90Very high53 Ų5354 Ų5432%0.32132%0.322SS..BIsolated β-bridgetrans-131.5116.5-177-178.40000108.3G172 V173 G179G172-V177 CarbonylContact C-O 3.59Å; G172-V177 VanDerWaalsContact CA-O 3.22Å; G172-V177 WeakPolarHBondContact CA-O 3.45Å; V173-V177 HydrophobicContact CB-CB 4.17Å; V173-V177 HydrophobicContact CB-CG2 4.33Å; V173-V177 HydrophobicContact CG2-CB 4.4Å; V173-V177 HydrophobicContact CG2-CG2 4.37Å; V173-V177 PolarHBondContact N-O 3Å; V173-V177 PolarHBondContact O-N 3.29Å; V173-V177 VanDerWaalsContact O-O 3.08Å; V177-G179 PolarHBondContact O-N 3.35Å
178K88.6Confident89.9Confident201 Ų20153.4 Ų53.487%0.87432%0.318SS*.  trans-57.6134.5172.9-172.5-179.5-179.8-179.10109.2
179G93.2Very high89.8Confident31 Ų3148.2 Ų48.232%0.3229%0.286SS..  trans-140.6-152.117700000112.3T170 V177T170-G179 WeakPolarHBondContact O-CA 3.35Å; V177-G179 PolarHBondContact O-N 3.35Å
180I94.8Very high89.6Confident15 Ų1544.6 Ų44.68%0.07727%0.267CS..SBendtrans-62.1156.6176.966.2-177.2000112V129 C166 N169 T170 I171 E184 R185 L188V129-I180 HydrophobicContact CG2-CD1 3.98Å; V129-I180 HydrophobicContact CG2-CG2 3.88Å; C166-I180 HydrophobicContact CB-CG2 4.07Å; N169-I180 HydrophobicContact CB-CG2 3.95Å; T170-I180 PolarHBondContact O-N 3.27Å; I171-I180 HydrophobicContact CG1-CD1 4.47Å; I171-I180 HydrophobicContact CG2-CD1 4.25Å; I171-I180 PolarHBondContact O-N 3.43Å; I180-E184 HydrophobicContact CB-CB 3.92Å; I180-E184 HydrophobicContact CD1-CB 4.23Å; I180-E184 HydrophobicContact CG1-CB 4.26Å; I180-R185 HydrophobicContact CD1-CB 4.11Å; I180-R185 HydrophobicContact CG1-CB 4.16Å; I180-L188 HydrophobicContact CD1-CD2 4.04Å
181S91.1Very high89.6Confident44 Ų4442 Ų4231%0.30825%0.251SS..  trans-65.7162.7177.764.40000112.7G183 E184 R185S181-G183 PolarHBondContact O-N 2.64Å; S181-E184 WeakPolarHBondContact CB-OE2 3.17Å; S181-E184 PolarHBondContact N-OE2 2.99Å; S181-E184 PolarHBondContact O-N 3.24Å; S181-E184 VanDerWaalsContact O-N 3.16Å; S181-E184 WeakPolarHBondContact OG-CB 3.19Å; S181-E184 WeakPolarHBondContact OG-CG 3.21Å; S181-E184 PolarHBondContact OG-N 2.83Å; S181-E184 PolarHBondContact OG-OE2 3.3Å; S181-R185 WeakPolarHBondContact O-CB 3.3Å; S181-R185 PolarHBondContact O-N 2.91Å
182G88.2Confident89.5Confident37 Ų3742.1 Ų42.138%0.38125%0.252SS..Hα-helixtrans-56.6-44.7178.500000113.2E184 R185 K186G182-E184 PolarHBondContact O-N 3.02Å; G182-R185 WeakPolarHBondContact O-CB 3.33Å; G182-R185 PolarHBondContact O-N 3.48Å; G182-K186 PolarHBondContact O-N 3.45Å
183G88.2Confident89.4Confident3 Ų342.9 Ų42.93%0.03126%0.255CS..Hα-helixtrans-67.7-32.3176.900000113.8S181 R187 M214S181-G183 PolarHBondContact O-N 2.64Å; G183-R187 VanDerWaalsContact O-CG 3.29Å; G183-R187 WeakPolarHBondContact O-CG 3.35Å; G183-R187 PolarHBondContact O-N 3.42Å; G183-R187 VanDerWaalsContact O-N 3.13Å; G183-R187 PolarHBondContact O-NE 3.08Å; G183-M214 VanDerWaalsContact CA-SD 3.56Å; G183-M214 PolarHBondContact N-SD 2.98Å
184E92.1Very high89.7Confident42 Ų4241 Ų4120%0.19624%0.244CC..Hα-helixtrans-70.2-41.3171.2-72.9166.5144.400111.7I180 S181 G182 K186 R187 L188I180-E184 HydrophobicContact CB-CB 3.92Å; I180-E184 HydrophobicContact CD1-CB 4.23Å; I180-E184 HydrophobicContact CG1-CB 4.26Å; S181-E184 WeakPolarHBondContact CB-OE2 3.17Å; S181-E184 PolarHBondContact N-OE2 2.99Å; S181-E184 PolarHBondContact O-N 3.24Å; S181-E184 VanDerWaalsContact O-N 3.16Å; S181-E184 WeakPolarHBondContact OG-CB 3.19Å; S181-E184 WeakPolarHBondContact OG-CG 3.21Å; S181-E184 PolarHBondContact OG-N 2.83Å; S181-E184 PolarHBondContact OG-OE2 3.3Å; G182-E184 PolarHBondContact O-N 3.02Å; E184-K186 VanDerWaalsContact C-N 3.31Å; E184-K186 PolarHBondContact O-N 3.01Å; E184-R187 VanDerWaalsContact CG-NH2 3.29Å; E184-R187 PolarHBondContact O-N 3.34Å; E184-L188 PolarHBondContact O-N 3.28Å
185R92.9Very high90.2Very high39 Ų3936 Ų3615%0.14721%0.211CC..Hα-helixtrans-58.8-43.3174.4-179.8178.8-71.5-120.7-4.7111.2D121 F123 I171 G172 I180 S181 G182 L188 S189D121-R185 HydrophobicContact CB-CG 3.82Å; F123-R185 HydrophobicContact CD2-CG 3.96Å; F123-R185 HydrophobicContact CE2-CG 3.72Å; I171-R185 PolarHBondContact O-NH2 3.2Å; G172-R185 PolarHBondContact O-NH2 3.43Å; I180-R185 HydrophobicContact CD1-CB 4.11Å; I180-R185 HydrophobicContact CG1-CB 4.16Å; S181-R185 WeakPolarHBondContact O-CB 3.3Å; S181-R185 PolarHBondContact O-N 2.91Å; G182-R185 WeakPolarHBondContact O-CB 3.33Å; G182-R185 PolarHBondContact O-N 3.48Å; R185-L188 WeakPolarHBondContact O-CB 3.45Å; R185-L188 PolarHBondContact O-N 2.95Å; R185-S189 PolarHBondContact O-N 3.43Å; R185-S189 VanDerWaalsContact O-N 3.07Å; R185-S189 PolarHBondContact O-OG 3.38Å
186K91.2Very high90.6Very high2 Ų233.2 Ų33.21%0.00918%0.175CC..Hα-helixtrans-65.1-43.6176.7-159.470.5-179.8168.90111.8C118 Q119 D121 G182 E184 L188 S189 F190 L210C118-K186 PolarHBondContact O-NZ 3.41Å; Q119-K186 PolarHBondContact O-NZ 3.09Å; D121-K186 WeakPolarHBondContact OD1-CD 3.45Å; D121-K186 IonicContact OD1-NZ 3Å; D121-K186 PolarHBondContact OD1-NZ 2.81Å; D121-K186 WeakPolarHBondContact OD2-CD 3.41Å; D121-K186 IonicContact OD2-NZ 2.74Å; G182-K186 PolarHBondContact O-N 3.45Å; E184-K186 VanDerWaalsContact C-N 3.31Å; E184-K186 PolarHBondContact O-N 3.01Å; K186-L188 VanDerWaalsContact C-N 3.27Å; K186-L188 PolarHBondContact O-N 3.46Å; K186-S189 WeakPolarHBondContact O-CB 3.48Å; K186-S189 PolarHBondContact O-N 3.43Å; K186-F190 HydrophobicContact CG-CD2 4.34Å; K186-F190 HydrophobicContact CG-CE2 3.65Å; K186-F190 HydrophobicContact CG-CZ 4.44Å; K186-F190 WeakPolarHBondContact O-CD2 3.37Å; K186-F190 PolarHBondContact O-N 3.33Å; K186-F190 VanDerWaalsContact O-N 3.14Å; K186-L210 HydrophobicContact CB-CD1 4.2Å; K186-L210 HydrophobicContact CG-CD1 4.2Å
187R92.4Very high91Very high54 Ų5429.2 Ų29.220%0.20416%0.162CC..Hα-helixtrans-60.7-34.3173.9-71.8-176.1-67.3154.8-5.1112.8L161 G162 L163 G183 E184 F190 A191 V218 M221L161-R187 WeakPolarHBondContact O-CD 3.2Å; L161-R187 PolarHBondContact O-NH1 3.19Å; L161-R187 VanDerWaalsContact O-NH1 3.13Å; G162-R187 PolarHBondContact O-NH1 3.13Å; L163-R187 HydrophobicContact CD2-CB 3.88Å; L163-R187 HydrophobicContact CG-CB 4.34Å; G183-R187 VanDerWaalsContact O-CG 3.29Å; G183-R187 WeakPolarHBondContact O-CG 3.35Å; G183-R187 PolarHBondContact O-N 3.42Å; G183-R187 VanDerWaalsContact O-N 3.13Å; G183-R187 PolarHBondContact O-NE 3.08Å; E184-R187 VanDerWaalsContact CG-NH2 3.29Å; E184-R187 PolarHBondContact O-N 3.34Å; R187-F190 PolarHBondContact O-N 2.94Å; R187-A191 WeakPolarHBondContact O-CB 3.45Å; R187-A191 PolarHBondContact O-N 3.06Å; R187-V218 HydrophobicContact CG-CG2 4.28Å; R187-M221 HydrophobicContact CG-SD 3.86Å
188L95.5Very high91.4Very high0 Ų027 Ų270%015%0.148CC..Hα-helixtrans-66.2-36172.317958.4000112.7F123 V129 L133 L163 I171 I180 E184 R185 K186 A191 S192F123-L188 HydrophobicContact CD1-CD2 4.27Å; F123-L188 HydrophobicContact CE1-CD2 3.98Å; F123-L188 HydrophobicContact CE1-CG 3.86Å; F123-L188 HydrophobicContact CE2-CD2 4.4Å; F123-L188 HydrophobicContact CZ-CB 4.18Å; F123-L188 HydrophobicContact CZ-CD2 4.04Å; F123-L188 HydrophobicContact CZ-CG 3.79Å; V129-L188 HydrophobicContact CG1-CD1 3.87Å; V129-L188 HydrophobicContact CG2-CD2 4.32Å; L133-L188 HydrophobicContact CD1-CD1 4.03Å; L133-L188 HydrophobicContact CD2-CD1 3.78Å; L133-L188 HydrophobicContact CG-CD1 3.7Å; L163-L188 HydrophobicContact CD1-CB 4.48Å; I171-L188 HydrophobicContact CD1-CD2 3.6Å; I171-L188 HydrophobicContact CG1-CD2 3.63Å; I171-L188 HydrophobicContact CG2-CD2 4.36Å; I180-L188 HydrophobicContact CD1-CD2 4.04Å; E184-L188 PolarHBondContact O-N 3.28Å; R185-L188 WeakPolarHBondContact O-CB 3.45Å; R185-L188 PolarHBondContact O-N 2.95Å; K186-L188 VanDerWaalsContact C-N 3.27Å; K186-L188 PolarHBondContact O-N 3.46Å; L188-A191 HydrophobicContact CD1-CB 4.48Å; L188-A191 WeakPolarHBondContact O-CB 3.32Å; L188-A191 PolarHBondContact O-N 2.75Å; L188-S192 PolarHBondContact O-N 3.19Å; L188-S192 PolarHBondContact O-OG 3.21Å
189S93.2Very high91.5Very high6 Ų617.8 Ų17.84%0.04211%0.109CC..Hα-helixtrans-62.2-45.5173.3-65.10000111D121 F123 R185 K186 S192 E193D121-S189 VanDerWaalsContact CG-OG 3.24Å; D121-S189 WeakPolarHBondContact OD1-CB 3.28Å; D121-S189 PolarHBondContact OD1-OG 2.81Å; F123-S189 WeakPolarHBondContact CE2-OG 3.2Å; F123-S189 WeakPolarHBondContact CZ-OG 3.41Å; R185-S189 PolarHBondContact O-N 3.43Å; R185-S189 VanDerWaalsContact O-N 3.07Å; R185-S189 PolarHBondContact O-OG 3.38Å; K186-S189 WeakPolarHBondContact O-CB 3.48Å; K186-S189 PolarHBondContact O-N 3.43Å; S189-S192 PolarHBondContact O-N 2.82Å; S189-E193 PolarHBondContact O-N 2.99Å
190F92.5Very high91.5Very high1 Ų116.3 Ų16.30%0.0049%0.094CC..Hα-helixtrans-61-45.5172.7-66.8-68.1000112V117 L161 K186 R187 S192 E193 V194 C203 F206 V218 M221 L222V117-F190 HydrophobicContact CB-CD1 4.25Å; V117-F190 HydrophobicContact CB-CE1 4.01Å; V117-F190 HydrophobicContact CG1-CD1 4.08Å; V117-F190 HydrophobicContact CG1-CE1 3.79Å; V117-F190 HydrophobicContact CG1-CZ 4.23Å; V117-F190 HydrophobicContact CG2-CD1 3.68Å; V117-F190 HydrophobicContact CG2-CE1 3.92Å; L161-F190 HydrophobicContact CD1-CB 4.39Å; K186-F190 HydrophobicContact CG-CD2 4.34Å; K186-F190 HydrophobicContact CG-CE2 3.65Å; K186-F190 HydrophobicContact CG-CZ 4.44Å; K186-F190 WeakPolarHBondContact O-CD2 3.37Å; K186-F190 PolarHBondContact O-N 3.33Å; K186-F190 VanDerWaalsContact O-N 3.14Å; R187-F190 PolarHBondContact O-N 2.94Å; F190-S192 VanDerWaalsContact C-N 3.29Å; F190-S192 PolarHBondContact O-N 2.86Å; F190-E193 PolarHBondContact O-N 2.87Å; F190-E193 VanDerWaalsContact O-N 3.11Å; F190-V194 WeakPolarHBondContact O-CB 3.39Å; F190-V194 VanDerWaalsContact O-CG2 3.3Å; F190-V194 WeakPolarHBondContact O-CG2 3.3Å; F190-V194 PolarHBondContact O-N 3.32Å; F190-C203 HydrophobicContact CE1-CB 4.03Å; F190-C203 VanDerWaalsContact CE1-SG 3.56Å; F190-F206 HydrophobicContact CZ-CB 3.8Å; F190-V218 HydrophobicContact CD2-CG1 4.24Å; F190-V218 HydrophobicContact CE2-CG1 3.39Å; F190-V218 HydrophobicContact CZ-CG1 3.93Å; F190-M221 HydrophobicContact CB-CE 3.9Å; F190-M221 HydrophobicContact CB-SD 4.42Å; F190-M221 HydrophobicContact CD1-CE 4.07Å; F190-M221 HydrophobicContact CD2-CE 3.47Å; F190-M221 VanDerWaalsContact CD2-CE 3.47Å; F190-M221 HydrophobicContact CD2-SD 4.28Å; F190-M221 HydrophobicContact CE2-CE 3.99Å; F190-M221 HydrophobicContact CG-CE 3.52Å; F190-L222 HydrophobicContact CD1-CD2 3.94Å; F190-L222 HydrophobicContact CE1-CD2 3.76Å; F190-L222 HydrophobicContact CZ-CD1 4.41Å; F190-L222 HydrophobicContact CZ-CD2 4.26Å
191A94.8Very high91.5Very high0 Ų015.7 Ų15.70%09%0.091CC..Hα-helixtrans-56.2-44.2179.100000112.1L133 V157 L161 L163 R187 L188 E193 V194 L195L133-A191 HydrophobicContact CD1-CB 4.13Å; L133-A191 HydrophobicContact CD2-CB 3.63Å; V157-A191 HydrophobicContact CG1-CB 3.77Å; L161-A191 HydrophobicContact CD1-CB 3.4Å; L161-A191 VanDerWaalsContact CD1-CB 3.4Å; L163-A191 HydrophobicContact CD1-CB 3.68Å; R187-A191 WeakPolarHBondContact O-CB 3.45Å; R187-A191 PolarHBondContact O-N 3.06Å; L188-A191 HydrophobicContact CD1-CB 4.48Å; L188-A191 WeakPolarHBondContact O-CB 3.32Å; L188-A191 PolarHBondContact O-N 2.75Å; A191-E193 PolarHBondContact O-N 2.79Å; A191-V194 PolarHBondContact O-N 3.27Å; A191-L195 WeakPolarHBondContact O-CG 3.46Å; A191-L195 PolarHBondContact O-N 3.47Å; A191-L195 VanDerWaalsContact O-N 3.13Å
192S93.2Very high91.7Very high4 Ų413.6 Ų13.63%0.0288%0.076CC..Hα-helixtrans-58.7-34.4179.9-57.60000112.7H132 R140 L188 S189 F190H132-S192 PolarHBondContact CD2-OG 2.89Å; H132-S192 PolarHBondContact NE2-OG 2.93Å; R140-S192 PolarHBondContact NH1-O 2.83Å; L188-S192 PolarHBondContact O-N 3.19Å; L188-S192 PolarHBondContact O-OG 3.21Å; S189-S192 PolarHBondContact O-N 2.82Å; F190-S192 VanDerWaalsContact C-N 3.29Å; F190-S192 PolarHBondContact O-N 2.86Å
193E90.8Very high92Very high17 Ų1711.9 Ų11.98%0.0796%0.058CC..Hα-helixtrans-87.3-35.2179.7-68-48.5126.300113.1A115 V117 R140 S189 F190 A191 L195 T196A115-E193 HydrophobicContact CB-CB 3.89Å; A115-E193 HydrophobicContact CB-CG 4.49Å; V117-E193 HydrophobicContact CG2-CB 3.91Å; V117-E193 HydrophobicContact CG2-CG 3.65Å; R140-E193 IonicContact CZ-OE1 3.59Å; R140-E193 IonicContact CZ-OE2 3.33Å; R140-E193 IonicContact NH1-OE1 2.67Å; R140-E193 PolarHBondContact NH1-OE1 2.83Å; R140-E193 IonicContact NH1-OE2 3.45Å; R140-E193 PolarHBondContact NH1-OE2 2.87Å; R140-E193 IonicContact NH2-OE1 2.78Å; R140-E193 IonicContact NH2-OE2 2.67Å; R140-E193 PolarHBondContact NH2-OE2 3.08Å; S189-E193 PolarHBondContact O-N 2.99Å; F190-E193 PolarHBondContact O-N 2.87Å; F190-E193 VanDerWaalsContact O-N 3.11Å; A191-E193 PolarHBondContact O-N 2.79Å; E193-L195 PolarHBondContact O-N 3.43Å; E193-T196 PolarHBondContact O-OG1 3.09Å
194V91.1Very high92.2Very high2 Ų212.3 Ų12.31%0.0126%0.06CC..Hα-helixtrans-73.2-16.1179.5173.20000112.6R153 V157 F190 A191 T196 D197 L225R153-V194 PolarHBondContact NH2-O 3.23Å; V157-V194 HydrophobicContact CG2-CG1 4.47Å; F190-V194 WeakPolarHBondContact O-CB 3.39Å; F190-V194 VanDerWaalsContact O-CG2 3.3Å; F190-V194 WeakPolarHBondContact O-CG2 3.3Å; F190-V194 PolarHBondContact O-N 3.32Å; A191-V194 PolarHBondContact O-N 3.27Å; V194-T196 PolarHBondContact O-N 2.87Å; V194-T196 VanDerWaalsContact O-N 3.15Å; V194-D197 WeakPolarHBondContact O-CA 3.26Å; V194-D197 PolarHBondContact O-N 3.4Å; V194-L225 HydrophobicContact CG1-CD2 4.27Å; V194-L225 HydrophobicContact CG2-CD1 4.04Å
195L91Very high92.1Very high0 Ų012.1 Ų12.10%06%0.059CC..THydrogen-bonded Turntrans-49.4-42.2175.9-81.9169.5000112.9L133 Q136 A137 L141 R153 V154 V157 A191 E193 D197L133-L195 HydrophobicContact CB-CD1 4.43Å; L133-L195 HydrophobicContact CD2-CD1 3.89Å; L133-L195 HydrophobicContact CD2-CG 4.36Å; L133-L195 WeakPolarHBondContact O-CD1 3.42Å; Q136-L195 HydrophobicContact CB-CD1 3.56Å; A137-L195 HydrophobicContact CB-CD1 4.42Å; A137-L195 HydrophobicContact CB-CD2 4.38Å; L141-L195 WeakPolarHBondContact CD2-O 3.32Å; R153-L195 HydrophobicContact CG-CD2 4.43Å; R153-L195 PolarHBondContact NE-O 3.36Å; R153-L195 VanDerWaalsContact NE-O 3.1Å; V154-L195 HydrophobicContact CG2-CD2 3.87Å; V157-L195 HydrophobicContact CB-CD2 4.34Å; V157-L195 HydrophobicContact CG2-CD2 4.15Å; A191-L195 WeakPolarHBondContact O-CG 3.46Å; A191-L195 PolarHBondContact O-N 3.47Å; A191-L195 VanDerWaalsContact O-N 3.13Å; E193-L195 PolarHBondContact O-N 3.43Å; L195-D197 PolarHBondContact O-N 2.87Å
196T87.1Confident92Very high37 Ų3710.3 Ų10.323%0.2275%0.052CC..THydrogen-bonded Turntrans-78.92.3-179.353.30000114.4R140 L141 E193 V194R140-T196 HydrophobicContact CB-CG2 3.68Å; L141-T196 HydrophobicContact CD2-CG2 4.49Å; E193-T196 PolarHBondContact O-OG1 3.09Å; V194-T196 PolarHBondContact O-N 2.87Å; V194-T196 VanDerWaalsContact O-N 3.15Å
197D88.1Confident91.9Very high25 Ų2511.5 Ų11.513%0.1346%0.06CC..  trans50.653.3-175.5-159.534.4000114Y7 R153 V194 L195 K230Y7-D197 HydrophobicContact CE1-CB 3.94Å; R153-D197 IonicContact NH2-OD1 2.8Å; V194-D197 WeakPolarHBondContact O-CA 3.26Å; V194-D197 PolarHBondContact O-N 3.4Å; L195-D197 PolarHBondContact O-N 2.87Å; D197-K230 WeakPolarHBondContact OD1-CE 3.32Å; D197-K230 IonicContact OD1-NZ 3.82Å; D197-K230 PolarHBondContact OD1-NZ 3.36Å
198P89.1Confident91.7Very high7 Ų711.6 Ų11.65%0.0457%0.068CC..  trans-67135.8-177.731.2-36.4000110.9A115 L200 K230A115-P198 HydrophobicContact CB-CB 3.85Å; A115-P198 HydrophobicContact CB-CG 3.58Å; P198-L200 VanDerWaalsContact C-N 3.32Å; P198-K230 WeakPolarHBondContact O-CD 3.4Å; P198-K230 VanDerWaalsContact O-CE 3.28Å; P198-K230 WeakPolarHBondContact O-CE 3.49Å
199P90.8Very high91.1Very high7 Ų715.5 Ų15.55%0.04511%0.109CC..SBendtrans-71.8-26.9174.228.2-34.9000112.6R16 V18 V113 K230 T231R16-P199 VanDerWaalsContact O-CB 3.31Å; R16-P199 WeakPolarHBondContact O-CB 3.39Å; V18-P199 HydrophobicContact CB-CB 4.17Å; V18-P199 HydrophobicContact CB-CG 4.48Å; V18-P199 HydrophobicContact CG2-CB 3.66Å; V18-P199 HydrophobicContact CG2-CG 3.67Å; V113-P199 VanDerWaalsContact O-CD 3.25Å; V113-P199 WeakPolarHBondContact O-CD 3.33Å; V113-P199 WeakPolarHBondContact O-CG 3.39Å; P199-K230 WeakPolarHBondContact O-CA 3.27Å; P199-T231 PolarHBondContact O-N 2.83Å
200L93.4Very high90.8Very high0 Ų016.6 Ų16.60%011%0.114CC..EExtended strand (participates in β ladder)trans-116.7124.9178.2179.660.1000111V18 L20 I110 V113 S114 A115 P198 F202 T231 V233V18-L200 HydrophobicContact CG1-CB 4.19Å; V18-L200 HydrophobicContact CG1-CD2 4.29Å; L20-L200 HydrophobicContact CB-CD1 4.48Å; L20-L200 HydrophobicContact CB-CD2 4.34Å; L20-L200 HydrophobicContact CD1-CD2 4.39Å; L20-L200 HydrophobicContact CD2-CD2 4.3Å; I110-L200 HydrophobicContact CD1-CD2 4.05Å; I110-L200 HydrophobicContact CG1-CD2 4.27Å; V113-L200 PolarHBondContact O-N 3.49Å; S114-L200 CarbonylContact C-O 3.58Å; S114-L200 WeakPolarHBondContact CA-O 3.44Å; S114-L200 WeakPolarHBondContact CB-O 3.44Å; A115-L200 PolarHBondContact N-O 2.95Å; P198-L200 VanDerWaalsContact C-N 3.32Å; L200-F202 HydrophobicContact CD1-CE2 4.24Å; L200-F202 HydrophobicContact CD1-CZ 4.21Å; L200-F202 HydrophobicContact CD2-CE2 3.51Å; L200-F202 HydrophobicContact CD2-CZ 3.65Å; L200-F202 HydrophobicContact CG-CD2 4.23Å; L200-F202 HydrophobicContact CG-CE2 3.56Å; L200-F202 HydrophobicContact CG-CZ 3.93Å; L200-T231 WeakPolarHBondContact CA-O 3.2Å; L200-T231 HydrophobicContact CD1-CG2 3.58Å; L200-V233 HydrophobicContact CD1-CG2 4.46Å
201L94.5Very high90.6Very high2 Ų220.9 Ų20.91%0.0114%0.137CC..EExtended strand (participates in β ladder)trans-122.2124.8-178.7-17666.3000110.9A115 V117 L222 L225 T231 V232 V233A115-L201 HydrophobicContact CB-CD1 3.99Å; V117-L201 HydrophobicContact CG2-CD1 4.16Å; L201-L222 HydrophobicContact CD2-CD2 4.16Å; L201-L225 HydrophobicContact CD2-CD1 4.27Å; L201-T231 PolarHBondContact N-O 3.32Å; L201-V232 HydrophobicContact CB-CG1 4.41Å; L201-V232 HydrophobicContact CB-CG2 4.34Å; L201-V232 HydrophobicContact CD2-CG1 4.27Å; L201-V232 WeakPolarHBondContact O-CA 3.4Å; L201-V233 PolarHBondContact O-N 3.4Å
202F95.4Very high90.3Very high0 Ų024.7 Ų24.70%016%0.164CC..EExtended strand (participates in β ladder)trans-106.5131173.2-63.2-87.1000110.5L20 L82 L85 T86 I110 A115 Y116 V117 L200 V233L20-F202 HydrophobicContact CD2-CE1 3.64Å; L20-F202 HydrophobicContact CD2-CZ 3.49Å; L20-F202 VanDerWaalsContact CD2-CZ 3.49Å; L82-F202 HydrophobicContact CD1-CB 4.33Å; L82-F202 HydrophobicContact CD1-CD1 3.74Å; L82-F202 HydrophobicContact CD2-CB 4.33Å; L82-F202 HydrophobicContact CG-CB 4.32Å; L82-F202 HydrophobicContact CG-CD1 4.16Å; L85-F202 HydrophobicContact CB-CE1 4.1Å; L85-F202 HydrophobicContact CB-CZ 4.37Å; L85-F202 HydrophobicContact CD1-CE1 4.31Å; T86-F202 HydrophobicContact CG2-CB 4.27Å; T86-F202 HydrophobicContact CG2-CD1 3.96Å; T86-F202 HydrophobicContact CG2-CD2 3.36Å; T86-F202 HydrophobicContact CG2-CE1 4.05Å; T86-F202 HydrophobicContact CG2-CE2 3.44Å; T86-F202 VanDerWaalsContact CG2-CE2 3.44Å; T86-F202 HydrophobicContact CG2-CG 3.61Å; T86-F202 HydrophobicContact CG2-CZ 3.77Å; I110-F202 HydrophobicContact CD1-CE2 4.45Å; I110-F202 HydrophobicContact CD1-CZ 4.3Å; A115-F202 PolarHBondContact O-N 3.4Å; Y116-F202 WeakPolarHBondContact CA-O 3.14Å; Y116-F202 HydrophobicContact CD2-CB 3.78Å; Y116-F202 HydrophobicContact CE2-CB 4.38Å; V117-F202 PolarHBondContact N-O 3.23Å; L200-F202 HydrophobicContact CD1-CE2 4.24Å; L200-F202 HydrophobicContact CD1-CZ 4.21Å; L200-F202 HydrophobicContact CD2-CE2 3.51Å; L200-F202 HydrophobicContact CD2-CZ 3.65Å; L200-F202 HydrophobicContact CG-CD2 4.23Å; L200-F202 HydrophobicContact CG-CE2 3.56Å; L200-F202 HydrophobicContact CG-CZ 3.93Å; F202-V233 CarbonylContact C-O 3.5Å; F202-V233 VanDerWaalsContact CA-O 3.28Å; F202-V233 WeakPolarHBondContact CA-O 3.2Å; F202-V233 HydrophobicContact CD1-CB 3.82Å; F202-V233 HydrophobicContact CD1-CG1 4.15Å; F202-V233 HydrophobicContact CD1-CG2 4.38Å; F202-V233 HydrophobicContact CE1-CB 4.14Å; F202-V233 HydrophobicContact CE1-CG1 4.41Å; F202-V233 HydrophobicContact CE1-CG2 4.24Å
203C94.7Very high90.1Very high1 Ų130.9 Ų30.91%0.00719%0.191CC..EExtended strand (participates in β ladder)trans-127.1112.2-177-51.10000110.5F190 V233 C234 T235F190-C203 HydrophobicContact CE1-CB 4.03Å; F190-C203 VanDerWaalsContact CE1-SG 3.56Å; C203-V233 PolarHBondContact N-O 2.92Å; C203-C234 HydrophobicContact CB-CB 3.8Å; C203-C234 CarbonylContact O-C 3.56Å; C203-C234 WeakPolarHBondContact O-CA 3.32Å; C203-T235 PolarHBondContact O-N 3.11Å
204D92.2Very high90.1Very high12 Ų1232.6 Ų32.66%0.06420%0.199CC..SBendtrans-89.5121.2179.6-153.37.4000111.2S79 L82 Y116 V117 F206 T235S79-D204 PolarHBondContact OG-OD1 3.24Å; S79-D204 VanDerWaalsContact OG-OD1 3.13Å; L82-D204 HydrophobicContact CD2-CB 3.79Å; Y116-D204 HydrophobicContact CE1-CB 4.4Å; Y116-D204 PolarHBondContact OH-OD2 2.87Å; V117-D204 PolarHBondContact O-N 3.46Å; D204-F206 PolarHBondContact O-N 3.49Å; D204-T235 VanDerWaalsContact CA-OG1 3.3Å; D204-T235 WeakPolarHBondContact CA-OG1 3.38Å; D204-T235 PolarHBondContact OD1-OG1 3.11Å
205E90.2Very high90.2Very high38 Ų3832.8 Ų32.818%0.17820%0.201CC..SBendtrans41.756.5177.1-62.5-158.3160.200114.1Q119 T207 S208 T235Q119-E205 HydrophobicContact CG-CB 4.29Å; Q119-E205 PolarHBondContact NE2-OE2 3.38Å; E205-T207 PolarHBondContact O-N 3.14Å; E205-S208 VanDerWaalsContact O-CB 3.24Å; E205-S208 WeakPolarHBondContact O-CB 3.3Å; E205-S208 PolarHBondContact O-N 2.89Å; E205-T235 VanDerWaalsContact CA-O 3.29Å; E205-T235 WeakPolarHBondContact CA-O 3.23Å; E205-T235 PolarHBondContact N-O 3.31Å; E205-T235 PolarHBondContact N-OG1 2.9Å
206F90.5Very high90.3Very high1 Ų133.6 Ų33.60%0.00421%0.205CC..THydrogen-bonded Turntrans-64.1-19.2-171.274.9-91.4000115.2F190 D204 V218 A219 L222 C234 V236 V243 F247F190-F206 HydrophobicContact CZ-CB 3.8Å; D204-F206 PolarHBondContact O-N 3.49Å; F206-V218 HydrophobicContact CB-CG1 4.47Å; F206-V218 HydrophobicContact CD2-CB 4.22Å; F206-V218 HydrophobicContact CD2-CG1 3.55Å; F206-V218 HydrophobicContact CE2-CG1 4.19Å; F206-V218 HydrophobicContact CG-CG1 4.37Å; F206-A219 HydrophobicContact CE2-CB 4.08Å; F206-A219 HydrophobicContact CZ-CB 4.26Å; F206-L222 HydrophobicContact CD1-CD1 4.03Å; F206-L222 HydrophobicContact CD2-CD1 4.11Å; F206-L222 HydrophobicContact CE1-CD1 4.19Å; F206-L222 HydrophobicContact CE2-CD1 4.28Å; F206-L222 HydrophobicContact CG-CD1 3.96Å; F206-L222 HydrophobicContact CZ-CD1 4.31Å; F206-C234 HydrophobicContact CD1-CB 3.88Å; F206-C234 HydrophobicContact CE1-CB 4.05Å; F206-V236 HydrophobicContact CD1-CG1 4.5Å; F206-V236 HydrophobicContact CE1-CG1 3.97Å; F206-V236 HydrophobicContact CE1-CG2 3.93Å; F206-V236 HydrophobicContact CZ-CG1 4.38Å; F206-V243 HydrophobicContact CE2-CG1 4.47Å; F206-V243 HydrophobicContact CZ-CG1 4.09Å; F206-F247 HydrophobicContact CE1-CE1 4.05Å; F206-F247 AromaticContact CE1-CZ 3.82Å; F206-F247 HydrophobicContact CE1-CZ 3.82Å; F206-F247 HydrophobicContact CZ-CE1 4.14Å; F206-F247 AromaticContact CZ-CZ 3.77Å; F206-F247 HydrophobicContact CZ-CZ 3.77Å
207T89.9Confident90.5Very high28 Ų2835 Ų3517%0.17221%0.209CC..THydrogen-bonded Turntrans-86.1-8.3177.758.60000112.9E205 G209 L210 A215 V236 V243E205-T207 PolarHBondContact O-N 3.14Å; T207-G209 PolarHBondContact O-N 3.2Å; T207-L210 PolarHBondContact O-N 2.76Å; T207-A215 HydrophobicContact CG2-CB 4.06Å; T207-V236 HydrophobicContact CG2-CG1 3.67Å; T207-V243 HydrophobicContact CG2-CG1 4.42Å
208S87.1Confident90.7Very high55 Ų5533.9 Ų33.939%0.38520%0.203SC..THydrogen-bonded Turntrans-65133.2-176.5-1650000111.4E205 L210E205-S208 VanDerWaalsContact O-CB 3.24Å; E205-S208 WeakPolarHBondContact O-CB 3.3Å; E205-S208 PolarHBondContact O-N 2.89Å; S208-L210 PolarHBondContact O-N 2.87Å
209G82.9Confident91Very high83 Ų8333.5 Ų33.586%0.85620%0.201SC*.THydrogen-bonded Turntrans71.87.7-179.900000115.6T207T207-G209 PolarHBondContact O-N 3.2Å
210L87.8Confident91.1Very high29 Ų2935.9 Ų35.915%0.15221%0.21CC..  trans-108.5147.2176.9-61.3-178000111.2K186 T207 S208 M214 A215 V218K186-L210 HydrophobicContact CB-CD1 4.2Å; K186-L210 HydrophobicContact CG-CD1 4.2Å; T207-L210 PolarHBondContact O-N 2.76Å; S208-L210 PolarHBondContact O-N 2.87Å; L210-M214 HydrophobicContact CB-CB 4.16Å; L210-M214 HydrophobicContact CD1-CB 4.47Å; L210-M214 HydrophobicContact CD2-CB 4.24Å; L210-M214 HydrophobicContact CD2-SD 4.36Å; L210-A215 HydrophobicContact CB-CB 4.35Å; L210-V218 HydrophobicContact CD1-CG2 3.92Å
211D88.2Confident91.1Very high90 Ų9036.3 Ų36.348%0.48121%0.213SC..  trans-70.1168.5164.368.432.3000111.1F213 M214 A215D211-F213 VanDerWaalsContact C-N 3.27Å; D211-F213 PolarHBondContact O-N 2.81Å; D211-F213 PolarHBondContact OD1-N 3.06Å; D211-F213 VanDerWaalsContact OD1-N 3.14Å; D211-M214 PolarHBondContact O-N 3.17Å; D211-M214 WeakPolarHBondContact OD1-CB 3.41Å; D211-M214 WeakPolarHBondContact OD1-CG 3.48Å; D211-M214 PolarHBondContact OD1-N 3.17Å; D211-A215 VanDerWaalsContact O-CB 3.27Å; D211-A215 WeakPolarHBondContact O-CB 3.37Å; D211-A215 PolarHBondContact O-N 3.35Å
212S88Confident91.1Very high81 Ų8136.2 Ų36.257%0.56621%0.212SC*.Hα-helixtrans-61.3-34.1-176.7560000113.2L216S212-L216 WeakPolarHBondContact O-CB 3.38Å; S212-L216 PolarHBondContact O-N 3.43Å; S212-L216 VanDerWaalsContact O-N 3.09Å
213F89.8Confident91.1Very high133 Ų13337.9 Ų37.958%0.58322%0.219SC*.Hα-helixtrans-71.6-47.5179.8177.5-98.6000111.4D211 L216 Q217D211-F213 VanDerWaalsContact C-N 3.27Å; D211-F213 PolarHBondContact O-N 2.81Å; D211-F213 PolarHBondContact OD1-N 3.06Å; D211-F213 VanDerWaalsContact OD1-N 3.14Å; F213-L216 WeakPolarHBondContact O-CB 3.34Å; F213-L216 PolarHBondContact O-N 2.86Å; F213-Q217 HydrophobicContact CE1-CG 4.17Å; F213-Q217 HydrophobicContact CZ-CG 4.31Å; F213-Q217 WeakPolarHBondContact O-CG 3.01Å; F213-Q217 PolarHBondContact O-N 3.48Å; F213-Q217 VanDerWaalsContact O-N 3.1Å
214M89.9Confident91.1Very high54 Ų5445.4 Ų45.427%0.26625%0.248SC..Hα-helixtrans-64.1-42.2176.8-71.3-165.7165.200111.4G183 L210 D211 L216 Q217 V218G183-M214 VanDerWaalsContact CA-SD 3.56Å; G183-M214 PolarHBondContact N-SD 2.98Å; L210-M214 HydrophobicContact CB-CB 4.16Å; L210-M214 HydrophobicContact CD1-CB 4.47Å; L210-M214 HydrophobicContact CD2-CB 4.24Å; L210-M214 HydrophobicContact CD2-SD 4.36Å; D211-M214 PolarHBondContact O-N 3.17Å; D211-M214 WeakPolarHBondContact OD1-CB 3.41Å; D211-M214 WeakPolarHBondContact OD1-CG 3.48Å; D211-M214 PolarHBondContact OD1-N 3.17Å; M214-L216 VanDerWaalsContact C-N 3.29Å; M214-L216 PolarHBondContact O-N 3.26Å; M214-Q217 PolarHBondContact O-N 3.35Å; M214-Q217 VanDerWaalsContact O-N 3.15Å; M214-V218 WeakPolarHBondContact O-CG2 3.08Å; M214-V218 PolarHBondContact O-N 2.86Å
215A92.7Very high91Very high6 Ų645.2 Ų45.25%0.0525%0.247CC..Hα-helixtrans-57.6-42.3174.100000111.8T207 L210 D211 Q217 V218 A219 V243T207-A215 HydrophobicContact CG2-CB 4.06Å; L210-A215 HydrophobicContact CB-CB 4.35Å; D211-A215 VanDerWaalsContact O-CB 3.27Å; D211-A215 WeakPolarHBondContact O-CB 3.37Å; D211-A215 PolarHBondContact O-N 3.35Å; A215-Q217 PolarHBondContact O-N 3.22Å; A215-V218 PolarHBondContact O-N 3.24Å; A215-A219 WeakPolarHBondContact O-CB 3.36Å; A215-A219 PolarHBondContact O-N 3.49Å; A215-V243 HydrophobicContact CB-CG2 4.22Å
216L93.7Very high91.3Very high16 Ų1643.4 Ų43.48%0.08424%0.238CC..Hα-helixtrans-62.4-40.9175.3-177.965.5000112.7S212 F213 M214 V218 A219 K220 Q242 V243 Y246S212-L216 WeakPolarHBondContact O-CB 3.38Å; S212-L216 PolarHBondContact O-N 3.43Å; S212-L216 VanDerWaalsContact O-N 3.09Å; F213-L216 WeakPolarHBondContact O-CB 3.34Å; F213-L216 PolarHBondContact O-N 2.86Å; M214-L216 VanDerWaalsContact C-N 3.29Å; M214-L216 PolarHBondContact O-N 3.26Å; L216-V218 VanDerWaalsContact C-N 3.34Å; L216-A219 PolarHBondContact O-N 3Å; L216-K220 HydrophobicContact CG-CD 4.47Å; L216-K220 WeakPolarHBondContact O-CG 3.27Å; L216-K220 PolarHBondContact O-N 3.4Å; L216-Q242 HydrophobicContact CD1-CB 3.98Å; L216-Q242 HydrophobicContact CD2-CB 4.45Å; L216-V243 HydrophobicContact CB-CG2 4.2Å; L216-V243 HydrophobicContact CD1-CG2 4.31Å; L216-Y246 HydrophobicContact CD1-CD2 4.01Å; L216-Y246 HydrophobicContact CD1-CE2 3.6Å
217Q91.4Very high91.4Very high67 Ų6748.3 Ų48.331%0.31326%0.264SS..Hα-helixtrans-64.9-39.2177.1-63.7-59.7-21.600111.9F213 M214 A215 M221F213-Q217 HydrophobicContact CE1-CG 4.17Å; F213-Q217 HydrophobicContact CZ-CG 4.31Å; F213-Q217 WeakPolarHBondContact O-CG 3.01Å; F213-Q217 PolarHBondContact O-N 3.48Å; F213-Q217 VanDerWaalsContact O-N 3.1Å; M214-Q217 PolarHBondContact O-N 3.35Å; M214-Q217 VanDerWaalsContact O-N 3.15Å; A215-Q217 PolarHBondContact O-N 3.22Å; Q217-M221 WeakPolarHBondContact O-CB 3.21Å; Q217-M221 PolarHBondContact O-N 3.2Å; Q217-M221 VanDerWaalsContact O-N 3.07Å
218V92.5Very high91.5Very high1 Ų151.4 Ų51.41%0.00628%0.284CS..Hα-helixtrans-66.1-42.6174.3175.60000111R187 F190 F206 L210 M214 A215 L216 K220 M221 L222R187-V218 HydrophobicContact CG-CG2 4.28Å; F190-V218 HydrophobicContact CD2-CG1 4.24Å; F190-V218 HydrophobicContact CE2-CG1 3.39Å; F190-V218 HydrophobicContact CZ-CG1 3.93Å; F206-V218 HydrophobicContact CB-CG1 4.47Å; F206-V218 HydrophobicContact CD2-CB 4.22Å; F206-V218 HydrophobicContact CD2-CG1 3.55Å; F206-V218 HydrophobicContact CE2-CG1 4.19Å; F206-V218 HydrophobicContact CG-CG1 4.37Å; L210-V218 HydrophobicContact CD1-CG2 3.92Å; M214-V218 WeakPolarHBondContact O-CG2 3.08Å; M214-V218 PolarHBondContact O-N 2.86Å; A215-V218 PolarHBondContact O-N 3.24Å; L216-V218 VanDerWaalsContact C-N 3.34Å; V218-K220 PolarHBondContact O-N 3.13Å; V218-M221 HydrophobicContact CG1-CE 4.23Å; V218-M221 WeakPolarHBondContact O-CB 3.29Å; V218-M221 PolarHBondContact O-N 3.06Å; V218-M221 VanDerWaalsContact O-N 3.17Å; V218-L222 HydrophobicContact CG1-CD1 4.37Å; V218-L222 HydrophobicContact CG1-CG 4.47Å; V218-L222 WeakPolarHBondContact O-CG 3.5Å; V218-L222 PolarHBondContact O-N 3.48Å
219A94.6Very high91.7Very high0 Ų050.3 Ų50.30%028%0.281CS..Hα-helixtrans-60.7-45.3176.500000112.1F206 A215 L216 M221 L222 K223 V243F206-A219 HydrophobicContact CE2-CB 4.08Å; F206-A219 HydrophobicContact CZ-CB 4.26Å; A215-A219 WeakPolarHBondContact O-CB 3.36Å; A215-A219 PolarHBondContact O-N 3.49Å; L216-A219 PolarHBondContact O-N 3Å; A219-M221 VanDerWaalsContact C-N 3.28Å; A219-M221 PolarHBondContact O-N 2.89Å; A219-L222 PolarHBondContact O-N 3.23Å; A219-K223 WeakPolarHBondContact O-CB 3.43Å; A219-K223 PolarHBondContact O-N 3.47Å; A219-V243 HydrophobicContact CB-CG1 3.96Å; A219-V243 HydrophobicContact CB-CG2 4.44Å
220K94.4Very high92.2Very high56 Ų5647.7 Ų47.724%0.24325%0.246CC..Hα-helixtrans-56.2-43.3173.1-77.3173.6178.21780111.9L216 V218 K223 R224 Y246L216-K220 HydrophobicContact CG-CD 4.47Å; L216-K220 WeakPolarHBondContact O-CG 3.27Å; L216-K220 PolarHBondContact O-N 3.4Å; V218-K220 PolarHBondContact O-N 3.13Å; K220-K223 PolarHBondContact O-N 3Å; K220-R224 WeakPolarHBondContact O-CG 3.44Å; K220-R224 PolarHBondContact O-N 3.16Å; K220-Y246 HydrophobicContact CB-CE1 4.38Å; K220-Y246 WeakPolarHBondContact CE-OH 3.42Å; K220-Y246 HydrophobicContact CG-CD1 4.25Å; K220-Y246 HydrophobicContact CG-CE1 3.52Å; K220-Y246 HydrophobicContact CG-CE2 4.19Å
221M92.4Very high92.6Very high9 Ų946.3 Ų46.34%0.04424%0.239CC..Hα-helixtrans-65.2-46178.3175.8-147.979.800111.7L161 R187 F190 Q217 V218 A219 K223 R224 L225L161-M221 HydrophobicContact CB-SD 4.35Å; L161-M221 HydrophobicContact CD2-CE 4.35Å; L161-M221 HydrophobicContact CD2-CG 3.43Å; L161-M221 VanDerWaalsContact CD2-CG 3.43Å; L161-M221 HydrophobicContact CD2-SD 3.46Å; L161-M221 WeakPolarHBondContact CD2-SD 3.45Å; L161-M221 HydrophobicContact CG-SD 4.38Å; R187-M221 HydrophobicContact CG-SD 3.86Å; F190-M221 HydrophobicContact CB-CE 3.9Å; F190-M221 HydrophobicContact CB-SD 4.42Å; F190-M221 HydrophobicContact CD1-CE 4.07Å; F190-M221 HydrophobicContact CD2-CE 3.47Å; F190-M221 VanDerWaalsContact CD2-CE 3.47Å; F190-M221 HydrophobicContact CD2-SD 4.28Å; F190-M221 HydrophobicContact CE2-CE 3.99Å; F190-M221 HydrophobicContact CG-CE 3.52Å; Q217-M221 WeakPolarHBondContact O-CB 3.21Å; Q217-M221 PolarHBondContact O-N 3.2Å; Q217-M221 VanDerWaalsContact O-N 3.07Å; V218-M221 HydrophobicContact CG1-CE 4.23Å; V218-M221 WeakPolarHBondContact O-CB 3.29Å; V218-M221 PolarHBondContact O-N 3.06Å; V218-M221 VanDerWaalsContact O-N 3.17Å; A219-M221 VanDerWaalsContact C-N 3.28Å; A219-M221 PolarHBondContact O-N 2.89Å; M221-K223 VanDerWaalsContact C-N 3.32Å; M221-K223 PolarHBondContact O-N 2.99Å; M221-R224 PolarHBondContact O-N 3.38Å; M221-L225 HydrophobicContact CE-CD1 4.37Å; M221-L225 PolarHBondContact O-N 3.31Å
222L94.4Very high93Very high0 Ų042 Ų420%022%0.216CC..Hα-helixtrans-60.7-41.6175.4-71177.4000111.7L67 F190 L201 F206 V218 A219 R224 L225 A226 V232L67-L222 HydrophobicContact CD1-CB 4.09Å; L67-L222 HydrophobicContact CD2-CB 4.29Å; F190-L222 HydrophobicContact CD1-CD2 3.94Å; F190-L222 HydrophobicContact CE1-CD2 3.76Å; F190-L222 HydrophobicContact CZ-CD1 4.41Å; F190-L222 HydrophobicContact CZ-CD2 4.26Å; L201-L222 HydrophobicContact CD2-CD2 4.16Å; F206-L222 HydrophobicContact CD1-CD1 4.03Å; F206-L222 HydrophobicContact CD2-CD1 4.11Å; F206-L222 HydrophobicContact CE1-CD1 4.19Å; F206-L222 HydrophobicContact CE2-CD1 4.28Å; F206-L222 HydrophobicContact CG-CD1 3.96Å; F206-L222 HydrophobicContact CZ-CD1 4.31Å; V218-L222 HydrophobicContact CG1-CD1 4.37Å; V218-L222 HydrophobicContact CG1-CG 4.47Å; V218-L222 WeakPolarHBondContact O-CG 3.5Å; V218-L222 PolarHBondContact O-N 3.48Å; A219-L222 PolarHBondContact O-N 3.23Å; L222-R224 PolarHBondContact O-N 3.29Å; L222-L225 HydrophobicContact CD2-CD1 4.47Å; L222-L225 WeakPolarHBondContact O-CB 3.29Å; L222-L225 PolarHBondContact O-N 3.44Å; L222-A226 PolarHBondContact O-N 3.09Å; L222-V232 HydrophobicContact CD2-CG1 4.21Å
223K96Very high93.4Very high35 Ų3538.2 Ų38.215%0.15219%0.189CC..Hα-helixtrans-62.9-41.5175.6-177.154.4169.7159.60112.1L67 A219 K220 M221 L225 A226 N227 Y246 D248L67-K223 HydrophobicContact CB-CD 4.44Å; L67-K223 HydrophobicContact CD2-CB 4.33Å; A219-K223 WeakPolarHBondContact O-CB 3.43Å; A219-K223 PolarHBondContact O-N 3.47Å; K220-K223 PolarHBondContact O-N 3Å; M221-K223 VanDerWaalsContact C-N 3.32Å; M221-K223 PolarHBondContact O-N 2.99Å; K223-L225 VanDerWaalsContact C-N 3.34Å; K223-L225 PolarHBondContact O-N 3.39Å; K223-A226 PolarHBondContact O-N 2.86Å; K223-N227 WeakPolarHBondContact CE-OD1 3.48Å; K223-N227 PolarHBondContact NZ-OD1 2.98Å; K223-N227 VanDerWaalsContact NZ-OD1 3.16Å; K223-N227 PolarHBondContact O-N 3.31Å; K223-N227 PolarHBondContact O-OD1 2.96Å; K223-Y246 HydrophobicContact CB-CD1 3.94Å; K223-Y246 HydrophobicContact CG-CD1 4.05Å; K223-D248 IonicContact NZ-OD1 3.55Å; K223-D248 PolarHBondContact NZ-OD1 3.3Å; K223-D248 IonicContact NZ-OD2 3.21Å; K223-D248 PolarHBondContact NZ-OD2 3.35Å
224R93.9Very high93.8Very high159 Ų15931.9 Ų31.960%0.616%0.161SC*.Hα-helixtrans-61.5-42.2173.6-72.2177.8-157.5165.43.8111.9K220 M221 L222 N227 T228K220-R224 WeakPolarHBondContact O-CG 3.44Å; K220-R224 PolarHBondContact O-N 3.16Å; M221-R224 PolarHBondContact O-N 3.38Å; L222-R224 PolarHBondContact O-N 3.29Å; R224-N227 PolarHBondContact O-N 3.04Å; R224-T228 PolarHBondContact O-N 3.44Å
225L91.5Very high94Very high8 Ų829.3 Ų29.34%0.04215%0.148CC..Hα-helixtrans-61-46175.3-72.9171.7000111.2L161 V194 L201 M221 L222 K223 N227 T228L161-L225 HydrophobicContact CD2-CD1 4.13Å; V194-L225 HydrophobicContact CG1-CD2 4.27Å; V194-L225 HydrophobicContact CG2-CD1 4.04Å; L201-L225 HydrophobicContact CD2-CD1 4.27Å; M221-L225 HydrophobicContact CE-CD1 4.37Å; M221-L225 PolarHBondContact O-N 3.31Å; L222-L225 HydrophobicContact CD2-CD1 4.47Å; L222-L225 WeakPolarHBondContact O-CB 3.29Å; L222-L225 PolarHBondContact O-N 3.44Å; K223-L225 VanDerWaalsContact C-N 3.34Å; K223-L225 PolarHBondContact O-N 3.39Å; L225-N227 VanDerWaalsContact C-N 3.35Å; L225-N227 PolarHBondContact O-N 3.26Å; L225-T228 PolarHBondContact O-N 3.16Å; L225-T228 VanDerWaalsContact O-N 3.14Å; L225-T228 PolarHBondContact O-OG1 3.26Å
226A94.6Very high94.1Very high0 Ų029 Ų290%015%0.146CC..Hα-helixtrans-57.4-47.9175.600000111.2G65 L67 L222 K223 T228 G229 K230 V232G65-A226 VanDerWaalsContact CA-O 3.25Å; G65-A226 WeakPolarHBondContact CA-O 3.38Å; L67-A226 HydrophobicContact CB-CB 4.22Å; L222-A226 PolarHBondContact O-N 3.09Å; K223-A226 PolarHBondContact O-N 2.86Å; A226-T228 PolarHBondContact O-N 3.22Å; A226-G229 PolarHBondContact O-N 3.42Å; A226-K230 WeakPolarHBondContact CA-O 3.38Å; A226-K230 PolarHBondContact O-N 3.04Å; A226-V232 HydrophobicContact CB-CB 4.42Å; A226-V232 HydrophobicContact CB-CG2 3.89Å
227N94.5Very high93.8Very high104 Ų10431 Ų3156%0.55616%0.155SC*.Hα-helixtrans-59.9-14.6179.5-68.5-4.9000114.4K223 R224 L225 G229K223-N227 WeakPolarHBondContact CE-OD1 3.48Å; K223-N227 PolarHBondContact NZ-OD1 2.98Å; K223-N227 VanDerWaalsContact NZ-OD1 3.16Å; K223-N227 PolarHBondContact O-N 3.31Å; K223-N227 PolarHBondContact O-OD1 2.96Å; R224-N227 PolarHBondContact O-N 3.04Å; L225-N227 VanDerWaalsContact C-N 3.35Å; L225-N227 PolarHBondContact O-N 3.26Å; N227-G229 PolarHBondContact O-N 3.03Å
228T90.6Very high93.6Very high94 Ų9432.5 Ų32.558%0.57716%0.162SC*.THydrogen-bonded Turntrans-784.2170.768.10000114R224 L225 A226R224-T228 PolarHBondContact O-N 3.44Å; L225-T228 PolarHBondContact O-N 3.16Å; L225-T228 VanDerWaalsContact O-N 3.14Å; L225-T228 PolarHBondContact O-OG1 3.26Å; A226-T228 PolarHBondContact O-N 3.22Å
229G92Very high93.7Very high31 Ų3132.6 Ų32.632%0.3216%0.163SC..THydrogen-bonded Turntrans98.60.4-178.300000114.3P64 A226 N227P64-G229 WeakPolarHBondContact CB-O 3.26Å; A226-G229 PolarHBondContact O-N 3.42Å; N227-G229 PolarHBondContact O-N 3.03Å
230K92.9Very high93.6Very high29 Ų2934.3 Ų34.313%0.12617%0.174CC..  trans-76.6152177.5-66.5179169.463.60111.2G65 D197 P198 P199 A226 V232G65-K230 PolarHBondContact N-O 3.42Å; D197-K230 WeakPolarHBondContact OD1-CE 3.32Å; D197-K230 IonicContact OD1-NZ 3.82Å; D197-K230 PolarHBondContact OD1-NZ 3.36Å; P198-K230 WeakPolarHBondContact O-CD 3.4Å; P198-K230 VanDerWaalsContact O-CE 3.28Å; P198-K230 WeakPolarHBondContact O-CE 3.49Å; P199-K230 WeakPolarHBondContact O-CA 3.27Å; A226-K230 WeakPolarHBondContact CA-O 3.38Å; A226-K230 PolarHBondContact O-N 3.04Å; K230-V232 HydrophobicContact CB-CG2 4.49Å
231T96Very high93.6Very high0 Ų034.8 Ų34.80%019%0.185CC..EExtended strand (participates in β ladder)trans-95.6122171.3-58.90000108.7V18 A62 Q63 P64 P199 L200 L201V18-T231 WeakPolarHBondContact O-CB 3.38Å; V18-T231 PolarHBondContact O-OG1 2.84Å; A62-T231 HydrophobicContact CB-CG2 3.56Å; Q63-T231 VanDerWaalsContact C-OG1 3.29Å; Q63-T231 PolarHBondContact O-OG1 2.72Å; P64-T231 WeakPolarHBondContact CA-OG1 3.41Å; P64-T231 VanDerWaalsContact N-OG1 3.14Å; P199-T231 PolarHBondContact O-N 2.83Å; L200-T231 WeakPolarHBondContact CA-O 3.2Å; L200-T231 HydrophobicContact CD1-CG2 3.58Å; L201-T231 PolarHBondContact N-O 3.32Å
232V96.8Very high93.7Very high0 Ų040 Ų400%021%0.209CC..EExtended strand (participates in β ladder)trans-121.7120.6-177.1-172.50000109.7R66 L67 L68 L201 L222 A226 K230R66-V232 PolarHBondContact O-N 2.96Å; L67-V232 HydrophobicContact CD1-CB 3.56Å; L67-V232 HydrophobicContact CD1-CG1 3.33Å; L68-V232 PolarHBondContact N-O 2.74Å; L201-V232 HydrophobicContact CB-CG1 4.41Å; L201-V232 HydrophobicContact CB-CG2 4.34Å; L201-V232 HydrophobicContact CD2-CG1 4.27Å; L201-V232 WeakPolarHBondContact O-CA 3.4Å; L222-V232 HydrophobicContact CD2-CG1 4.21Å; A226-V232 HydrophobicContact CB-CB 4.42Å; A226-V232 HydrophobicContact CB-CG2 3.89Å; K230-V232 HydrophobicContact CB-CG2 4.49Å
233V97.4Very high93.8Very high0 Ų040.1 Ų40.10%021%0.209CC..EExtended strand (participates in β ladder)trans-114.6124.3177.9-177.70000108.3A62 L68 I70 L82 L200 L201 F202 C203A62-V233 HydrophobicContact CB-CG2 3.54Å; L68-V233 HydrophobicContact CD2-CG1 4.17Å; L68-V233 HydrophobicContact CD2-CG2 4.28Å; I70-V233 HydrophobicContact CD1-CG1 3.55Å; I70-V233 HydrophobicContact CG1-CG1 4.22Å; L82-V233 HydrophobicContact CD1-CG1 3.91Å; L200-V233 HydrophobicContact CD1-CG2 4.46Å; L201-V233 PolarHBondContact O-N 3.4Å; F202-V233 CarbonylContact C-O 3.5Å; F202-V233 VanDerWaalsContact CA-O 3.28Å; F202-V233 WeakPolarHBondContact CA-O 3.2Å; F202-V233 HydrophobicContact CD1-CB 3.82Å; F202-V233 HydrophobicContact CD1-CG1 4.15Å; F202-V233 HydrophobicContact CD1-CG2 4.38Å; F202-V233 HydrophobicContact CE1-CB 4.14Å; F202-V233 HydrophobicContact CE1-CG1 4.41Å; F202-V233 HydrophobicContact CE1-CG2 4.24Å; C203-V233 PolarHBondContact N-O 2.92Å
234C96.5Very high93.7Very high0 Ų039.3 Ų39.30%021%0.206CC..EExtended strand (participates in β ladder)trans-131.9144.1-179.162.40000112.4L68 A69 I70 C203 F206 F247L68-C234 PolarHBondContact O-N 3.14Å; L68-C234 PolarHBondContact O-SG 3.23Å; A69-C234 CarbonylContact C-O 3.53Å; I70-C234 PolarHBondContact N-O 3.3Å; C203-C234 HydrophobicContact CB-CB 3.8Å; C203-C234 CarbonylContact O-C 3.56Å; C203-C234 WeakPolarHBondContact O-CA 3.32Å; F206-C234 HydrophobicContact CD1-CB 3.88Å; F206-C234 HydrophobicContact CE1-CB 4.05Å; C234-F247 WeakPolarHBondContact SG-CE1 3.3Å
235T95.6Very high93.8Very high0 Ų035.5 Ų35.50%021%0.209CC..EExtended strand (participates in β ladder)trans-94.2139.4168.754.80000109.6I70 K78 L82 C203 D204 E205I70-T235 HydrophobicContact CB-CG2 4.02Å; I70-T235 HydrophobicContact CD1-CG2 4.48Å; I70-T235 HydrophobicContact CG2-CG2 4.22Å; I70-T235 WeakPolarHBondContact O-CA 3.28Å; K78-T235 HydrophobicContact CB-CG2 3.92Å; L82-T235 HydrophobicContact CB-CG2 4.33Å; L82-T235 HydrophobicContact CD1-CG2 4.08Å; L82-T235 HydrophobicContact CD2-CG2 4.41Å; C203-T235 PolarHBondContact O-N 3.11Å; D204-T235 VanDerWaalsContact CA-OG1 3.3Å; D204-T235 WeakPolarHBondContact CA-OG1 3.38Å; D204-T235 PolarHBondContact OD1-OG1 3.11Å; E205-T235 VanDerWaalsContact CA-O 3.29Å; E205-T235 WeakPolarHBondContact CA-O 3.23Å; E205-T235 PolarHBondContact N-O 3.31Å; E205-T235 PolarHBondContact N-OG1 2.9Å
236V93.3Very high94Very high0 Ų038.8 Ų38.80%022%0.221CC..EExtended strand (participates in β ladder)trans-144.8138.1179.4-132.70000108.2A69 I70 M71 F206 T207 P239 F247A69-V236 HydrophobicContact CB-CG2 4.06Å; I70-V236 PolarHBondContact O-N 3.21Å; M71-V236 WeakPolarHBondContact CA-O 3.25Å; M71-V236 HydrophobicContact CG-CB 4.25Å; M71-V236 HydrophobicContact CG-CG2 4.29Å; F206-V236 HydrophobicContact CD1-CG1 4.5Å; F206-V236 HydrophobicContact CE1-CG1 3.97Å; F206-V236 HydrophobicContact CE1-CG2 3.93Å; F206-V236 HydrophobicContact CZ-CG1 4.38Å; T207-V236 HydrophobicContact CG2-CG1 3.67Å; V236-P239 HydrophobicContact CB-CG 4.49Å; V236-P239 HydrophobicContact CG1-CB 4.07Å; V236-P239 HydrophobicContact CG1-CG 4.26Å; V236-F247 HydrophobicContact CG2-CE1 4.35Å; V236-F247 HydrophobicContact CG2-CE2 4.1Å; V236-F247 HydrophobicContact CG2-CZ 3.64Å
237H87.7Confident94.2Very high58 Ų5839.2 Ų39.227%0.26922%0.223SC..SBendtrans-86.2-68.8179.3-180-88.6000111
238Q88.3Confident94.3Very high98 Ų9836 Ų3646%0.45821%0.206SC..SBendtrans-140.181.7180-78.1171.9-21.200109.8I289Q238-I289 HydrophobicContact CG-CB 4.31Å; Q238-I289 HydrophobicContact CG-CG1 4.08Å; Q238-I289 HydrophobicContact CG-CG2 4.19Å; Q238-I289 VanDerWaalsContact NE2-CG2 3.35Å
239P93.2Very high94.6Very high4 Ų432 Ų323%0.02618%0.181CC..  trans-68.5157.7177.328.3-33.4000111.7M71 V236 V243 F244 F247 N283 S285M71-P239 HydrophobicContact CE-CG 4.03Å; M71-P239 HydrophobicContact SD-CG 4.13Å; V236-P239 HydrophobicContact CB-CG 4.49Å; V236-P239 HydrophobicContact CG1-CB 4.07Å; V236-P239 HydrophobicContact CG1-CG 4.26Å; P239-V243 HydrophobicContact CB-CB 3.89Å; P239-V243 HydrophobicContact CB-CG1 3.6Å; P239-F244 HydrophobicContact CG-CB 4.35Å; P239-F244 HydrophobicContact CG-CD2 4.36Å; P239-F247 HydrophobicContact CB-CE2 4.5Å; P239-F247 HydrophobicContact CG-CE2 4.24Å; P239-N283 PolarHBondContact O-ND2 2.68Å; P239-N283 VanDerWaalsContact O-ND2 3.08Å; P239-S285 PolarHBondContact O-OG 3Å
240S93.7Very high94.9Very high35 Ų3530.6 Ų30.625%0.24517%0.166CC..  trans-64.5156.6166.768.40000110.5Q242 V243 F244S240-Q242 PolarHBondContact O-N 3.32Å; S240-Q242 VanDerWaalsContact O-N 3.16Å; S240-V243 PolarHBondContact O-N 3.44Å; S240-V243 WeakPolarHBondContact OG-CG2 3.45Å; S240-V243 PolarHBondContact OG-N 3.27Å; S240-F244 PolarHBondContact O-N 3.26Å
241S93.9Very high95.1Very high66 Ų6629.2 Ų29.246%0.46216%0.16SC..Hα-helixtrans-54.1-36.6176.256.30000112.7F244 A245 N283S241-F244 PolarHBondContact O-N 2.87Å; S241-A245 PolarHBondContact O-N 3.42Å; S241-A245 VanDerWaalsContact O-N 3.14Å; S241-N283 WeakPolarHBondContact CA-OD1 3.35Å; S241-N283 PolarHBondContact N-OD1 3.48Å
242Q94.9Very high95.1Very high120 Ų12029.2 Ų29.256%0.56116%0.16SC*.Hα-helixtrans-65.8-38.8175.8-66.4-177.2-13.100112.8L216 S240 Y246L216-Q242 HydrophobicContact CD1-CB 3.98Å; L216-Q242 HydrophobicContact CD2-CB 4.45Å; S240-Q242 PolarHBondContact O-N 3.32Å; S240-Q242 VanDerWaalsContact O-N 3.16Å; Q242-Y246 WeakPolarHBondContact O-CD2 3.33Å; Q242-Y246 WeakPolarHBondContact O-CE2 3.23Å
243V95.7Very high95.1Very high1 Ų129.2 Ų29.21%0.00616%0.16CC..Hα-helixtrans-71.3-42.4175.2169.70000110.1F206 T207 A215 L216 A219 P239 S240 A245 Y246 F247F206-V243 HydrophobicContact CE2-CG1 4.47Å; F206-V243 HydrophobicContact CZ-CG1 4.09Å; T207-V243 HydrophobicContact CG2-CG1 4.42Å; A215-V243 HydrophobicContact CB-CG2 4.22Å; L216-V243 HydrophobicContact CB-CG2 4.2Å; L216-V243 HydrophobicContact CD1-CG2 4.31Å; A219-V243 HydrophobicContact CB-CG1 3.96Å; A219-V243 HydrophobicContact CB-CG2 4.44Å; P239-V243 HydrophobicContact CB-CB 3.89Å; P239-V243 HydrophobicContact CB-CG1 3.6Å; S240-V243 PolarHBondContact O-N 3.44Å; S240-V243 WeakPolarHBondContact OG-CG2 3.45Å; S240-V243 PolarHBondContact OG-N 3.27Å; V243-A245 PolarHBondContact O-N 3.18Å; V243-Y246 PolarHBondContact O-N 3.14Å; V243-Y246 VanDerWaalsContact O-N 3.09Å; V243-F247 HydrophobicContact CG1-CE2 4.15Å; V243-F247 HydrophobicContact CG1-CZ 4.12Å
244F95.5Very high94.9Very high18 Ų1829.5 Ų29.58%0.07916%0.162CC..Hα-helixtrans-56.5-37.1179.6-175.8-98.2000112.4M71 P239 S240 S241 Y246 F247 L250 C264 P284 Y288M71-F244 HydrophobicContact CE-CD2 4.4Å; M71-F244 HydrophobicContact CE-CE2 4.42Å; M71-F244 HydrophobicContact SD-CD2 3.95Å; M71-F244 HydrophobicContact SD-CE2 3.89Å; P239-F244 HydrophobicContact CG-CB 4.35Å; P239-F244 HydrophobicContact CG-CD2 4.36Å; S240-F244 PolarHBondContact O-N 3.26Å; S241-F244 PolarHBondContact O-N 2.87Å; F244-Y246 PolarHBondContact O-N 3.03Å; F244-Y246 VanDerWaalsContact O-N 3.12Å; F244-F247 HydrophobicContact CD2-CD2 4.29Å; F244-F247 WeakPolarHBondContact O-CD2 3.5Å; F244-F247 PolarHBondContact O-N 3.2Å; F244-L250 HydrophobicContact CE2-CD1 4.21Å; F244-L250 HydrophobicContact CE2-CD2 4.16Å; F244-L250 HydrophobicContact CZ-CD2 4.09Å; F244-C264 HydrophobicContact CZ-CB 4.44Å; F244-P284 HydrophobicContact CD1-CB 4.28Å; F244-P284 HydrophobicContact CE1-CB 3.96Å; F244-P284 HydrophobicContact CZ-CB 4.43Å; F244-Y288 AromaticContact CZ-CE2 3.98Å; F244-Y288 HydrophobicContact CZ-CE2 3.98Å
245A95.1Very high94.6Very high80 Ų8033 Ų3366%0.66118%0.181SC*.THydrogen-bonded Turntrans-64.6-12.2179.100000115.3S241 V243S241-A245 PolarHBondContact O-N 3.42Å; S241-A245 VanDerWaalsContact O-N 3.14Å; V243-A245 PolarHBondContact O-N 3.18Å
246Y96.5Very high94.4Very high76 Ų7633 Ų3330%0.29818%0.181SC..THydrogen-bonded Turntrans-88.9-11.7177.8-79.1-92.6000113.9L216 K220 K223 Q242 V243 F244L216-Y246 HydrophobicContact CD1-CD2 4.01Å; L216-Y246 HydrophobicContact CD1-CE2 3.6Å; K220-Y246 HydrophobicContact CB-CE1 4.38Å; K220-Y246 WeakPolarHBondContact CE-OH 3.42Å; K220-Y246 HydrophobicContact CG-CD1 4.25Å; K220-Y246 HydrophobicContact CG-CE1 3.52Å; K220-Y246 HydrophobicContact CG-CE2 4.19Å; K223-Y246 HydrophobicContact CB-CD1 3.94Å; K223-Y246 HydrophobicContact CG-CD1 4.05Å; Q242-Y246 WeakPolarHBondContact O-CD2 3.33Å; Q242-Y246 WeakPolarHBondContact O-CE2 3.23Å; V243-Y246 PolarHBondContact O-N 3.14Å; V243-Y246 VanDerWaalsContact O-N 3.09Å; F244-Y246 PolarHBondContact O-N 3.03Å; F244-Y246 VanDerWaalsContact O-N 3.12Å
247F97.4Very high94.4Very high9 Ų935.8 Ų35.84%0.03919%0.192CC..  trans-80.2134.4179.3-59.9-54.3000110.9L67 A69 F206 C234 V236 P239 V243 F244 C264L67-F247 HydrophobicContact CD2-CD1 3.64Å; L67-F247 HydrophobicContact CD2-CE1 3.88Å; L67-F247 HydrophobicContact CG-CD1 3.77Å; L67-F247 HydrophobicContact CG-CE1 4.19Å; A69-F247 HydrophobicContact CB-CB 4.09Å; A69-F247 HydrophobicContact CB-CD1 3.62Å; A69-F247 HydrophobicContact CB-CD2 3.63Å; A69-F247 HydrophobicContact CB-CE1 3.9Å; A69-F247 HydrophobicContact CB-CE2 3.9Å; A69-F247 HydrophobicContact CB-CG 3.5Å; A69-F247 HydrophobicContact CB-CZ 4.03Å; F206-F247 HydrophobicContact CE1-CE1 4.05Å; F206-F247 AromaticContact CE1-CZ 3.82Å; F206-F247 HydrophobicContact CE1-CZ 3.82Å; F206-F247 HydrophobicContact CZ-CE1 4.14Å; F206-F247 AromaticContact CZ-CZ 3.77Å; F206-F247 HydrophobicContact CZ-CZ 3.77Å; C234-F247 WeakPolarHBondContact SG-CE1 3.3Å; V236-F247 HydrophobicContact CG2-CE1 4.35Å; V236-F247 HydrophobicContact CG2-CE2 4.1Å; V236-F247 HydrophobicContact CG2-CZ 3.64Å; P239-F247 HydrophobicContact CB-CE2 4.5Å; P239-F247 HydrophobicContact CG-CE2 4.24Å; V243-F247 HydrophobicContact CG1-CE2 4.15Å; V243-F247 HydrophobicContact CG1-CZ 4.12Å; F244-F247 HydrophobicContact CD2-CD2 4.29Å; F244-F247 WeakPolarHBondContact O-CD2 3.5Å; F244-F247 PolarHBondContact O-N 3.2Å; F247-C264 WeakPolarHBondContact CB-SG 3.48Å; F247-C264 PolarHBondContact O-SG 3.08Å
248D97.7Very high94.7Very high37 Ų3733.2 Ų33.220%0.19818%0.18CC..SBendtrans-82.7-44.1175.6-59.7-68.9000110.7R66 L67 K223 P263 C264R66-D248 WeakPolarHBondContact CA-OD2 3.47Å; R66-D248 HydrophobicContact CB-CB 4.18Å; R66-D248 PolarHBondContact NH2-O 3.39Å; L67-D248 PolarHBondContact N-OD2 2.92Å; L67-D248 PolarHBondContact O-N 3Å; K223-D248 IonicContact NZ-OD1 3.55Å; K223-D248 PolarHBondContact NZ-OD1 3.3Å; K223-D248 IonicContact NZ-OD2 3.21Å; K223-D248 PolarHBondContact NZ-OD2 3.35Å; D248-P263 WeakPolarHBondContact O-CA 3.47Å; D248-C264 PolarHBondContact O-N 2.93Å
249D97.4Very high95Very high11 Ų1128.5 Ų28.56%0.05916%0.158CC..EExtended strand (participates in β ladder)trans-125.1149.7-177.8-58-48.6000111.4R66 L67 L68 A69 G262R66-D249 WeakPolarHBondContact CD-OD2 3.37Å; R66-D249 IonicContact CZ-OD1 2.91Å; R66-D249 IonicContact CZ-OD2 3.95Å; R66-D249 IonicContact NE-OD1 3.58Å; R66-D249 PolarHBondContact NE-OD1 2.81Å; R66-D249 IonicContact NE-OD2 3.73Å; R66-D249 PolarHBondContact NE-OD2 3.45Å; R66-D249 IonicContact NH2-OD1 3.29Å; R66-D249 PolarHBondContact NH2-OD1 3.49Å; R66-D249 IonicContact NH2-OD2 2.68Å; L67-D249 PolarHBondContact O-N 2.91Å; L68-D249 HydrophobicContact CB-CB 4.49Å; L68-D249 HydrophobicContact CD1-CB 3.64Å; A69-D249 PolarHBondContact N-O 2.87Å; D249-G262 CarbonylContact C-O 3.57Å; D249-G262 WeakPolarHBondContact CA-O 3.31Å
250L97.3Very high95.2Very high0 Ų028.4 Ų28.40%016%0.157CC..EExtended strand (participates in β ladder)trans-126.5126.8-179178.764.8000110.3A69 M71 F244 L252 Y260 F261 G262 A267 Y288A69-L250 HydrophobicContact CB-CD1 4.38Å; M71-L250 HydrophobicContact CB-CD1 4.01Å; M71-L250 HydrophobicContact CG-CD1 3.92Å; M71-L250 HydrophobicContact SD-CD1 3.52Å; M71-L250 VanDerWaalsContact SD-CD1 3.52Å; F244-L250 HydrophobicContact CE2-CD1 4.21Å; F244-L250 HydrophobicContact CE2-CD2 4.16Å; F244-L250 HydrophobicContact CZ-CD2 4.09Å; L250-L252 HydrophobicContact CD1-CD2 4.2Å; L250-L252 HydrophobicContact CD1-CG 4.25Å; L250-L252 HydrophobicContact CD2-CD1 3.91Å; L250-L252 HydrophobicContact CD2-CD2 4.29Å; L250-L252 HydrophobicContact CD2-CG 3.88Å; L250-L252 HydrophobicContact CG-CD1 4.48Å; L250-L252 HydrophobicContact CG-CD2 4.4Å; L250-L252 HydrophobicContact CG-CG 3.94Å; L250-Y260 HydrophobicContact CB-CD1 4.49Å; L250-Y260 HydrophobicContact CB-CE1 4.25Å; L250-Y260 HydrophobicContact CD2-CD1 4.28Å; L250-Y260 HydrophobicContact CD2-CE1 4.4Å; L250-Y260 HydrophobicContact CG-CD1 4.36Å; L250-F261 WeakPolarHBondContact O-CA 3.45Å; L250-G262 PolarHBondContact N-O 3.05Å; L250-G262 PolarHBondContact O-N 2.91Å; L250-G262 VanDerWaalsContact O-N 3.08Å; L250-A267 HydrophobicContact CD2-CB 4.01Å; L250-Y288 HydrophobicContact CD2-CD2 4.12Å; L250-Y288 HydrophobicContact CD2-CE2 4.13Å
251C97.1Very high95.3Very high0 Ų027.1 Ų27.10%015%0.147CC..EExtended strand (participates in β ladder)trans-112.8106.71681750000109L68 A69 I70 M71 Y260 F261L68-C251 HydrophobicContact CD1-CB 4.12Å; A69-C251 PolarHBondContact O-N 2.72Å; I70-C251 WeakPolarHBondContact CA-O 3.27Å; I70-C251 HydrophobicContact CG1-CB 4.18Å; M71-C251 PolarHBondContact N-O 2.92Å; C251-Y260 WeakPolarHBondContact CA-O 3.26Å; C251-F261 HydrophobicContact CB-CD2 3.62Å; C251-F261 HydrophobicContact CB-CE2 3.75Å
252L96.8Very high95.4Very high0 Ų024.2 Ų24.20%013%0.128CC..EExtended strand (participates in β ladder)trans-90.5117.4175.7-72.2168.4000110.6M71 L250 I259 Y260 F271 Y288 L292M71-L252 HydrophobicContact CB-CD2 3.88Å; M71-L252 CarbonylContact O-C 3.57Å; M71-L252 WeakPolarHBondContact O-CA 3.33Å; L250-L252 HydrophobicContact CD1-CD2 4.2Å; L250-L252 HydrophobicContact CD1-CG 4.25Å; L250-L252 HydrophobicContact CD2-CD1 3.91Å; L250-L252 HydrophobicContact CD2-CD2 4.29Å; L250-L252 HydrophobicContact CD2-CG 3.88Å; L250-L252 HydrophobicContact CG-CD1 4.48Å; L250-L252 HydrophobicContact CG-CD2 4.4Å; L250-L252 HydrophobicContact CG-CG 3.94Å; L252-I259 PolarHBondContact O-N 2.89Å; L252-Y260 HydrophobicContact CD1-CD1 4.42Å; L252-Y260 PolarHBondContact N-O 3.11Å; L252-F271 HydrophobicContact CD1-CE2 3.57Å; L252-F271 HydrophobicContact CD1-CZ 3.68Å; L252-Y288 HydrophobicContact CD1-CD2 4.17Å; L252-Y288 HydrophobicContact CD1-CG 4Å; L252-L292 HydrophobicContact CB-CD1 3.99Å; L252-L292 HydrophobicContact CD1-CD1 4.17Å; L252-L292 HydrophobicContact CD2-CD1 4.37Å; L252-L292 HydrophobicContact CG-CD1 4.41Å
253L95.5Very high95.4Very high1 Ų120.3 Ų20.31%0.00511%0.113CC..EExtended strand (participates in β ladder)trans-101.7135.7174-71.8175.2000111.5I70 M71 G72 A76 K78 L81 R257I70-L253 HydrophobicContact CG2-CD1 3.61Å; I70-L253 HydrophobicContact CG2-CG 4.24Å; M71-L253 PolarHBondContact O-N 3.3Å; G72-L253 VanDerWaalsContact CA-O 3.28Å; G72-L253 WeakPolarHBondContact CA-O 3.31Å; A76-L253 HydrophobicContact CB-CB 4.35Å; A76-L253 WeakPolarHBondContact CB-O 3.44Å; K78-L253 HydrophobicContact CG-CD1 4.42Å; L81-L253 HydrophobicContact CB-CD1 4.21Å; L81-L253 HydrophobicContact CD2-CD1 3.77Å; L81-L253 HydrophobicContact CD2-CD2 4.37Å; L81-L253 HydrophobicContact CD2-CG 4.47Å; L253-R257 VanDerWaalsContact CA-O 3.32Å; L253-R257 WeakPolarHBondContact CA-O 3.46Å; L253-R257 WeakPolarHBondContact CD2-O 3.42Å
254A93.9Very high95.4Very high5 Ų521 Ų214%0.04112%0.117CC..EExtended strand (participates in β ladder)trans-147137168.100000110.1G256 R257 I259 L292 L306A254-G256 PolarHBondContact O-N 3.09Å; A254-G256 VanDerWaalsContact O-N 3.11Å; A254-R257 PolarHBondContact N-O 3.29Å; A254-R257 PolarHBondContact O-N 3.47Å; A254-I259 HydrophobicContact CB-CD1 4.15Å; A254-I259 HydrophobicContact CB-CG1 3.7Å; A254-L292 HydrophobicContact CB-CB 4.1Å; A254-L306 HydrophobicContact CB-CD1 3.76Å; A254-L306 HydrophobicContact CB-CD2 3.68Å; A254-L306 HydrophobicContact CB-CG 4.36Å
255D89.7Confident95.2Very high73 Ų7324.4 Ų24.439%0.3915%0.149SC..THydrogen-bonded Turntrans48.139-177.9-17536.3000113.4K56 R257 L306K56-D255 WeakPolarHBondContact CE-O 3.47Å; K56-D255 PolarHBondContact NZ-O 3.16Å; K56-D255 IonicContact NZ-OD1 3.77Å; K56-D255 PolarHBondContact NZ-OD1 2.74Å; K56-D255 IonicContact NZ-OD2 3.43Å; K56-D255 PolarHBondContact NZ-OD2 2.82Å; D255-R257 VanDerWaalsContact C-N 3.27Å; D255-R257 PolarHBondContact O-N 3.08Å; D255-R257 IonicContact OD2-NH1 3.44Å; D255-R257 PolarHBondContact OD2-NH1 3.28Å; D255-L306 HydrophobicContact CB-CD1 4.09Å
256G91.7Very high95.2Very high1 Ų124 Ų241%0.0113%0.134CC..THydrogen-bonded Turntrans73.78.2-179.900000115.7I54 L55 K56 C58 A76 A254I54-G256 WeakPolarHBondContact O-CA 3.39Å; L55-G256 CarbonylContact C-O 3.58Å; L55-G256 WeakPolarHBondContact CA-O 3.45Å; K56-G256 PolarHBondContact N-O 2.9Å; C58-G256 PolarHBondContact SG-O 3.25Å; A76-G256 PolarHBondContact O-N 3.2Å; A254-G256 PolarHBondContact O-N 3.09Å; A254-G256 VanDerWaalsContact O-N 3.11Å
257R93.2Very high95.1Very high59 Ų5920.4 Ų20.422%0.22312%0.119CC..EExtended strand (participates in β ladder)trans-113.1150.4-179.2-64.9175.8-179.2129.1-4.4111.6K56 L253 A254 D255 I259 N307K56-R257 HydrophobicContact CB-CG 3.78Å; K56-R257 HydrophobicContact CD-CG 4.22Å; L253-R257 VanDerWaalsContact CA-O 3.32Å; L253-R257 WeakPolarHBondContact CA-O 3.46Å; L253-R257 WeakPolarHBondContact CD2-O 3.42Å; A254-R257 PolarHBondContact N-O 3.29Å; A254-R257 PolarHBondContact O-N 3.47Å; D255-R257 VanDerWaalsContact C-N 3.27Å; D255-R257 PolarHBondContact O-N 3.08Å; D255-R257 IonicContact OD2-NH1 3.44Å; D255-R257 PolarHBondContact OD2-NH1 3.28Å; R257-I259 HydrophobicContact CB-CD1 4.27Å; R257-I259 PolarHBondContact O-N 3.37Å; R257-N307 PolarHBondContact NH1-OD1 3.37Å
258T94.9Very high94.9Very high3 Ų322 Ų222%0.01813%0.134CC..EExtended strand (participates in β ladder)trans-80.5110.2169.5-52.20000109.6Y59 F261Y59-T258 HydrophobicContact CD2-CG2 4.45Å; Y59-T258 HydrophobicContact CE1-CG2 4.46Å; Y59-T258 HydrophobicContact CE2-CG2 4.04Å; Y59-T258 PolarHBondContact N-OG1 2.95Å; Y59-T258 PolarHBondContact O-OG1 3.25Å; T258-F261 HydrophobicContact CG2-CB 4.04Å
259I95Very high94.7Very high0 Ų023.7 Ų23.70%015%0.149CC..EExtended strand (participates in β ladder)trans-87.2-39.1-177.9-54.2-56.9000111.4L252 A254 R257 L292 L306 I309L252-I259 PolarHBondContact O-N 2.89Å; A254-I259 HydrophobicContact CB-CD1 4.15Å; A254-I259 HydrophobicContact CB-CG1 3.7Å; R257-I259 HydrophobicContact CB-CD1 4.27Å; R257-I259 PolarHBondContact O-N 3.37Å; I259-L292 HydrophobicContact CB-CD1 4.38Å; I259-L292 HydrophobicContact CG1-CD1 4.45Å; I259-L292 HydrophobicContact CG1-CD2 4.43Å; I259-L292 HydrophobicContact CG2-CD1 4.36Å; I259-L292 HydrophobicContact CG2-CD2 3.81Å; I259-L306 HydrophobicContact CD1-CB 4.19Å; I259-L306 HydrophobicContact CD1-CD2 4.03Å; I259-L306 HydrophobicContact CG1-CD2 4.28Å; I259-I309 HydrophobicContact CG2-CB 4.15Å; I259-I309 HydrophobicContact CG2-CG2 3.45Å; I259-I309 VanDerWaalsContact CG2-CG2 3.45Å
260Y95.9Very high94.6Very high2 Ų223.7 Ų23.71%0.00815%0.149CC..EExtended strand (participates in β ladder)trans-145.5140.5177.4173.1-92.3000109L250 C251 L252 P263 A267 F270 F313L250-Y260 HydrophobicContact CB-CD1 4.49Å; L250-Y260 HydrophobicContact CB-CE1 4.25Å; L250-Y260 HydrophobicContact CD2-CD1 4.28Å; L250-Y260 HydrophobicContact CD2-CE1 4.4Å; L250-Y260 HydrophobicContact CG-CD1 4.36Å; C251-Y260 WeakPolarHBondContact CA-O 3.26Å; L252-Y260 HydrophobicContact CD1-CD1 4.42Å; L252-Y260 PolarHBondContact N-O 3.11Å; Y260-P263 PolarHBondContact OH-O 3.03Å; Y260-A267 HydrophobicContact CD1-CB 4.28Å; Y260-A267 HydrophobicContact CE1-CB 3.73Å; Y260-A267 HydrophobicContact CE2-CB 4.48Å; Y260-A267 PolarHBondContact OH-N 3.37Å; Y260-F270 HydrophobicContact CD2-CB 4.33Å; Y260-F270 AromaticContact CD2-CD1 3.61Å; Y260-F270 HydrophobicContact CD2-CD1 3.61Å; Y260-F270 HydrophobicContact CD2-CE1 4.14Å; Y260-F270 HydrophobicContact CD2-CG 4.02Å; Y260-F270 HydrophobicContact CE2-CB 4.07Å; Y260-F270 HydrophobicContact CE2-CD1 4.22Å; Y260-F270 HydrophobicContact CE2-CG 4.22Å; Y260-F270 HydrophobicContact CG-CD1 4.47Å; Y260-F313 AromaticContact CD2-CD2 3.72Å; Y260-F313 HydrophobicContact CD2-CD2 3.72Å; Y260-F313 AromaticContact CD2-CE2 3.5Å; Y260-F313 HydrophobicContact CD2-CE2 3.5Å; Y260-F313 HydrophobicContact CD2-CZ 4.27Å; Y260-F313 HydrophobicContact CE2-CD2 4.28Å; Y260-F313 AromaticContact CE2-CE2 3.72Å; Y260-F313 HydrophobicContact CE2-CE2 3.72Å; Y260-F313 HydrophobicContact CG-CE2 4.41Å
261F96.3Very high94.5Very high7 Ų723.8 Ų23.83%0.03115%0.149CC..EExtended strand (participates in β ladder)trans-142118.4172.7-168.3-77.8000110.3W22 Y59 L61 L68 L250 C251 T258 F313 L322W22-F261 HydrophobicContact CH2-CE2 4.13Å; W22-F261 HydrophobicContact CZ2-CE2 4.04Å; Y59-F261 HydrophobicContact CE2-CB 4.45Å; L61-F261 HydrophobicContact CB-CE1 4.34Å; L61-F261 WeakPolarHBondContact O-CE1 3.42Å; L61-F261 WeakPolarHBondContact O-CZ 3.47Å; L68-F261 HydrophobicContact CD1-CE2 3.97Å; L68-F261 HydrophobicContact CD1-CZ 3.97Å; L68-F261 HydrophobicContact CD2-CE2 4.14Å; L68-F261 HydrophobicContact CD2-CZ 4.19Å; L250-F261 WeakPolarHBondContact O-CA 3.45Å; C251-F261 HydrophobicContact CB-CD2 3.62Å; C251-F261 HydrophobicContact CB-CE2 3.75Å; T258-F261 HydrophobicContact CG2-CB 4.04Å; F261-F313 HydrophobicContact CB-CE1 4.3Å; F261-F313 HydrophobicContact CB-CZ 4.47Å; F261-F313 WeakPolarHBondContact O-CZ 3.3Å; F261-L322 HydrophobicContact CB-CD2 3.98Å; F261-L322 HydrophobicContact CD1-CD1 3.7Å; F261-L322 HydrophobicContact CD1-CD2 3.51Å; F261-L322 HydrophobicContact CD1-CG 4.22Å; F261-L322 HydrophobicContact CE1-CD1 3.73Å; F261-L322 HydrophobicContact CE1-CD2 4.35Å; F261-L322 HydrophobicContact CG-CD2 3.9Å
262G95.5Very high94.4Very high5 Ų525.7 Ų25.75%0.05217%0.165CC..EExtended strand (participates in β ladder)trans166.6-168.8177.400000113.2D249 L250 C264D249-G262 CarbonylContact C-O 3.57Å; D249-G262 WeakPolarHBondContact CA-O 3.31Å; L250-G262 PolarHBondContact N-O 3.05Å; L250-G262 PolarHBondContact O-N 2.91Å; L250-G262 VanDerWaalsContact O-N 3.08Å; G262-C264 PolarHBondContact O-N 3.32Å
263P95.9Very high94.3Very high38 Ų3829.5 Ų29.525%0.24719%0.192CC..EExtended strand (participates in β ladder)trans-59.6135179.4-23.434.4000111.8D248 Y260 A265 E266D248-P263 WeakPolarHBondContact O-CA 3.47Å; Y260-P263 PolarHBondContact OH-O 3.03Å; P263-A265 PolarHBondContact O-N 3.4Å; P263-E266 HydrophobicContact CB-CG 4.24Å; P263-E266 HydrophobicContact CG-CG 4.4Å; P263-E266 PolarHBondContact O-N 3.13Å
264C94.5Very high94.3Very high15 Ų1530.2 Ų30.210%0.10120%0.195CC..Hα-helixtrans-53.8-34.7179.7-68.80000113.1F244 F247 D248 G262 E266 A267F244-C264 HydrophobicContact CZ-CB 4.44Å; F247-C264 WeakPolarHBondContact CB-SG 3.48Å; F247-C264 PolarHBondContact O-SG 3.08Å; D248-C264 PolarHBondContact O-N 2.93Å; G262-C264 PolarHBondContact O-N 3.32Å; C264-E266 VanDerWaalsContact C-N 3.3Å; C264-E266 PolarHBondContact O-N 2.92Å; C264-A267 PolarHBondContact O-N 2.92Å
265A92.8Very high94.3Very high91 Ų9136.8 Ų36.875%0.75223%0.23SC*.Hα-helixtrans-65.9-28.5179.500000113.7P263P263-A265 PolarHBondContact O-N 3.4Å
266E94.4Very high94.5Very high71 Ų7137 Ų3733%0.33223%0.226SC..Hα-helixtrans-88.1-15.7-177.2-67-178.5-168.500113P263 C264 A268 S269 F270 T318P263-E266 HydrophobicContact CB-CG 4.24Å; P263-E266 HydrophobicContact CG-CG 4.4Å; P263-E266 PolarHBondContact O-N 3.13Å; C264-E266 VanDerWaalsContact C-N 3.3Å; C264-E266 PolarHBondContact O-N 2.92Å; E266-A268 VanDerWaalsContact C-N 3.31Å; E266-A268 PolarHBondContact O-N 3.37Å; E266-S269 PolarHBondContact O-N 3.42Å; E266-S269 PolarHBondContact O-OG 3.36Å; E266-F270 PolarHBondContact O-N 3.46Å; E266-T318 WeakPolarHBondContact OE2-CG2 2.91Å; E266-T318 PolarHBondContact OE2-OG1 2.85Å
267A94.3Very high94.7Very high0 Ų040.8 Ų40.80%025%0.25CC..Hα-helixtrans-59.5-41.8-178.300000111.8L250 Y260 C264 S269 F270 F271 Y288L250-A267 HydrophobicContact CD2-CB 4.01Å; Y260-A267 HydrophobicContact CD1-CB 4.28Å; Y260-A267 HydrophobicContact CE1-CB 3.73Å; Y260-A267 HydrophobicContact CE2-CB 4.48Å; Y260-A267 PolarHBondContact OH-N 3.37Å; C264-A267 PolarHBondContact O-N 2.92Å; A267-S269 PolarHBondContact O-N 3.45Å; A267-F270 PolarHBondContact O-N 3.06Å; A267-F271 WeakPolarHBondContact O-CD2 3.35Å; A267-F271 PolarHBondContact O-N 3.44Å; A267-Y288 HydrophobicContact CB-CE2 4.07Å
268A93Very high94.7Very high43 Ų4339.7 Ų39.736%0.35525%0.251SS..Hα-helixtrans-61.8-44.5179.800000112.3E266 A272 Y288E266-A268 VanDerWaalsContact C-N 3.31Å; E266-A268 PolarHBondContact O-N 3.37Å; A268-A272 VanDerWaalsContact O-CB 3.29Å; A268-A272 WeakPolarHBondContact O-CB 3.41Å; A268-A272 PolarHBondContact O-N 2.94Å; A268-Y288 WeakPolarHBondContact CA-OH 3.31Å; A268-Y288 PolarHBondContact N-OH 2.98Å; A268-Y288 VanDerWaalsContact N-OH 3.11Å
269S93.7Very high94.6Very high73 Ų7342.8 Ų42.851%0.5127%0.271SS..Hα-helixtrans-64.7-39.6176.339.10000112.6E266 A267 A272 S273E266-S269 PolarHBondContact O-N 3.42Å; E266-S269 PolarHBondContact O-OG 3.36Å; A267-S269 PolarHBondContact O-N 3.45Å; S269-A272 PolarHBondContact O-N 2.83Å; S269-S273 PolarHBondContact O-N 3.27Å
270F95.3Very high94.4Very high11 Ų1147.2 Ų47.25%0.04831%0.307CS..Hα-helixtrans-61.2-52.7177.1170.7-109.1000111.3Y260 E266 A267 A272 S273 L274 I309 F313 E316Y260-F270 HydrophobicContact CD2-CB 4.33Å; Y260-F270 AromaticContact CD2-CD1 3.61Å; Y260-F270 HydrophobicContact CD2-CD1 3.61Å; Y260-F270 HydrophobicContact CD2-CE1 4.14Å; Y260-F270 HydrophobicContact CD2-CG 4.02Å; Y260-F270 HydrophobicContact CE2-CB 4.07Å; Y260-F270 HydrophobicContact CE2-CD1 4.22Å; Y260-F270 HydrophobicContact CE2-CG 4.22Å; Y260-F270 HydrophobicContact CG-CD1 4.47Å; E266-F270 PolarHBondContact O-N 3.46Å; A267-F270 PolarHBondContact O-N 3.06Å; F270-A272 VanDerWaalsContact C-N 3.32Å; F270-A272 PolarHBondContact O-N 2.79Å; F270-S273 WeakPolarHBondContact O-CB 3.48Å; F270-S273 PolarHBondContact O-N 3.49Å; F270-S273 VanDerWaalsContact O-N 3.13Å; F270-S273 PolarHBondContact O-OG 3.22Å; F270-L274 HydrophobicContact CE1-CD1 3.87Å; F270-L274 HydrophobicContact CE2-CD1 3.99Å; F270-L274 HydrophobicContact CE2-CG 4.43Å; F270-L274 HydrophobicContact CZ-CD1 3.51Å; F270-L274 HydrophobicContact CZ-CG 4.41Å; F270-L274 PolarHBondContact O-N 2.94Å; F270-I309 HydrophobicContact CE1-CG2 3.97Å; F270-I309 HydrophobicContact CZ-CG2 4.09Å; F270-F313 HydrophobicContact CD2-CD2 4.18Å; F270-F313 HydrophobicContact CE1-CB 4.37Å; F270-F313 HydrophobicContact CE1-CD2 4.26Å; F270-F313 HydrophobicContact CE2-CB 3.98Å; F270-F313 AromaticContact CE2-CD2 3.87Å; F270-F313 HydrophobicContact CE2-CD2 3.87Å; F270-F313 HydrophobicContact CE2-CG 4.44Å; F270-F313 HydrophobicContact CG-CD2 4.5Å; F270-F313 HydrophobicContact CZ-CB 3.59Å; F270-F313 AromaticContact CZ-CD2 3.92Å; F270-F313 HydrophobicContact CZ-CD2 3.92Å; F270-F313 HydrophobicContact CZ-CG 4.2Å; F270-E316 HydrophobicContact CD2-CG 4.12Å; F270-E316 HydrophobicContact CE2-CG 4.46Å
271F95.4Very high94Very high1 Ų155.6 Ų55.60%0.00435%0.353CS..Hα-helixtrans-66.5-33.4179.7-73.4-71.2000112.7L252 A267 S273 L274 Y276 Y288 L291 I309L252-F271 HydrophobicContact CD1-CE2 3.57Å; L252-F271 HydrophobicContact CD1-CZ 3.68Å; A267-F271 WeakPolarHBondContact O-CD2 3.35Å; A267-F271 PolarHBondContact O-N 3.44Å; F271-S273 VanDerWaalsContact C-N 3.33Å; F271-S273 PolarHBondContact O-N 2.92Å; F271-L274 PolarHBondContact O-N 2.92Å; F271-Y276 CarbonylContact C-O 3.57Å; F271-Y276 CarbonylContact O-C 3.59Å; F271-Y276 WeakPolarHBondContact O-CA 3.32Å; F271-Y276 PolarHBondContact O-N 2.98Å; F271-Y288 HydrophobicContact CB-CE1 4.42Å; F271-Y288 AromaticContact CD2-CD1 3.51Å; F271-Y288 HydrophobicContact CD2-CD1 3.51Å; F271-Y288 AromaticContact CD2-CE1 3.31Å; F271-Y288 HydrophobicContact CD2-CE1 3.31Å; F271-Y288 HydrophobicContact CD2-CG 4.48Å; F271-Y288 AromaticContact CE2-CD1 3.62Å; F271-Y288 HydrophobicContact CE2-CD1 3.62Å; F271-Y288 AromaticContact CE2-CE1 3.82Å; F271-Y288 HydrophobicContact CE2-CE1 3.82Å; F271-Y288 HydrophobicContact CE2-CG 4.2Å; F271-Y288 HydrophobicContact CG-CD1 4.21Å; F271-Y288 HydrophobicContact CG-CE1 4.09Å; F271-Y288 HydrophobicContact CZ-CD1 4.38Å; F271-L291 HydrophobicContact CD1-CD2 3.43Å; F271-L291 VanDerWaalsContact CD1-CD2 3.43Å; F271-L291 HydrophobicContact CE1-CD2 3.68Å; F271-L291 HydrophobicContact CG-CD2 4.25Å; F271-I309 HydrophobicContact CE1-CG2 4.22Å
272A95Very high93.8Very high41 Ų4159.4 Ų59.434%0.33937%0.369SS..Hα-helixtrans-61-40.1171.700000112.2A268 S269 F270 L274 N275 P277A268-A272 VanDerWaalsContact O-CB 3.29Å; A268-A272 WeakPolarHBondContact O-CB 3.41Å; A268-A272 PolarHBondContact O-N 2.94Å; S269-A272 PolarHBondContact O-N 2.83Å; F270-A272 VanDerWaalsContact C-N 3.32Å; F270-A272 PolarHBondContact O-N 2.79Å; A272-L274 PolarHBondContact O-N 2.83Å; A272-L274 VanDerWaalsContact O-N 3.17Å; A272-N275 PolarHBondContact O-N 2.74Å; A272-P277 HydrophobicContact CB-CB 4.14Å
273S94.7Very high93.7Very high80 Ų8060.5 Ų60.556%0.55937%0.374SS*.Hα-helixtrans-63.3-20.1176.780.80000114S269 F270 F271S269-S273 PolarHBondContact O-N 3.27Å; F270-S273 WeakPolarHBondContact O-CB 3.48Å; F270-S273 PolarHBondContact O-N 3.49Å; F270-S273 VanDerWaalsContact O-N 3.13Å; F270-S273 PolarHBondContact O-OG 3.22Å; F271-S273 VanDerWaalsContact C-N 3.33Å; F271-S273 PolarHBondContact O-N 2.92Å
274L94.2Very high93.6Very high15 Ų1560.4 Ų60.48%0.07937%0.373CS..THydrogen-bonded Turntrans-96.715.6175.9-59-178.2000112.8F270 F271 A272 Y276 W308 I309 K312F270-L274 HydrophobicContact CE1-CD1 3.87Å; F270-L274 HydrophobicContact CE2-CD1 3.99Å; F270-L274 HydrophobicContact CE2-CG 4.43Å; F270-L274 HydrophobicContact CZ-CD1 3.51Å; F270-L274 HydrophobicContact CZ-CG 4.41Å; F270-L274 PolarHBondContact O-N 2.94Å; F271-L274 PolarHBondContact O-N 2.92Å; A272-L274 PolarHBondContact O-N 2.83Å; A272-L274 VanDerWaalsContact O-N 3.17Å; L274-Y276 VanDerWaalsContact C-N 3.26Å; L274-Y276 HydrophobicContact CB-CD2 4.08Å; L274-Y276 VanDerWaalsContact O-CD2 3.27Å; L274-Y276 WeakPolarHBondContact O-CD2 3.35Å; L274-Y276 PolarHBondContact O-N 3.3Å; L274-W308 HydrophobicContact CB-CH2 4.14Å; L274-W308 HydrophobicContact CB-CZ3 4.16Å; L274-W308 HydrophobicContact CD1-CZ3 4.32Å; L274-W308 HydrophobicContact CD2-CH2 3.84Å; L274-W308 HydrophobicContact CD2-CZ2 4.49Å; L274-W308 HydrophobicContact CD2-CZ3 4.2Å; L274-W308 HydrophobicContact CG-CH2 4.46Å; L274-W308 HydrophobicContact CG-CZ3 4.47Å; L274-I309 HydrophobicContact CD1-CB 4.4Å; L274-I309 HydrophobicContact CD1-CG1 4.23Å; L274-I309 HydrophobicContact CD1-CG2 3.86Å; L274-K312 HydrophobicContact CD2-CB 3.91Å; L274-K312 HydrophobicContact CD2-CD 4.42Å; L274-K312 HydrophobicContact CD2-CG 3.97Å
275N94.1Very high93.6Very high143 Ų14359.7 Ų59.777%0.76537%0.369SS*.THydrogen-bonded Turntrans61.828.1-174.1-62.6-32.6000114.4A272 P277A272-N275 PolarHBondContact O-N 2.74Å; N275-P277 WeakPolarHBondContact O-CD 3.41Å
276Y94.7Very high93.6Very high79 Ų7957.9 Ų57.931%0.3135%0.346SS..  trans-120.555.3171.6-62-65.7000112.1F271 L274 C278 H287 L291 K305 W308F271-Y276 CarbonylContact C-O 3.57Å; F271-Y276 CarbonylContact O-C 3.59Å; F271-Y276 WeakPolarHBondContact O-CA 3.32Å; F271-Y276 PolarHBondContact O-N 2.98Å; L274-Y276 VanDerWaalsContact C-N 3.26Å; L274-Y276 HydrophobicContact CB-CD2 4.08Å; L274-Y276 VanDerWaalsContact O-CD2 3.27Å; L274-Y276 WeakPolarHBondContact O-CD2 3.35Å; L274-Y276 PolarHBondContact O-N 3.3Å; Y276-C278 PolarHBondContact O-N 3.26Å; Y276-H287 PolarHBondContact O-NE2 2.91Å; Y276-L291 HydrophobicContact CD1-CD1 3.41Å; Y276-L291 VanDerWaalsContact CD1-CD1 3.41Å; Y276-L291 HydrophobicContact CD2-CD1 4.13Å; Y276-L291 HydrophobicContact CD2-CD2 4.34Å; Y276-L291 HydrophobicContact CE1-CD1 3.83Å; Y276-L291 HydrophobicContact CE2-CD1 4.47Å; Y276-L291 HydrophobicContact CG-CD1 3.58Å; Y276-L291 HydrophobicContact CG-CD2 4.08Å; Y276-L291 HydrophobicContact CG-CG 4.48Å; Y276-K305 WeakPolarHBondContact OH-CE 3.24Å; Y276-W308 HydrophobicContact CE2-CZ3 4.32Å
277P95.3Very high93.6Very high79 Ų7955.7 Ų55.751%0.51334%0.336SS..PPolyproline II helixtrans-59.7142.3178.428.7-35.2000110.5A272 N275 P279 H287A272-P277 HydrophobicContact CB-CB 4.14Å; N275-P277 WeakPolarHBondContact O-CD 3.41Å; P277-P279 WeakPolarHBondContact O-CD 3.44Å; P277-H287 PolarHBondContact O-CE1 3Å; P277-H287 PolarHBondContact O-NE2 3.1Å
278C93.3Very high93.6Very high36 Ų3655.8 Ų55.824%0.24334%0.336CS..PPolyproline II helixtrans-67.6124.1171-173.20000108.3Y276Y276-C278 PolarHBondContact O-N 3.26Å
279P93.6Very high93.6Very high69 Ų6954.1 Ų54.145%0.44832%0.321SS..PPolyproline II helixtrans-60152.2178.5-20.531000111.8P277 F282P277-P279 WeakPolarHBondContact O-CD 3.44Å; P279-F282 HydrophobicContact CB-CB 4.02Å; P279-F282 HydrophobicContact CG-CB 4.32Å; P279-F282 HydrophobicContact CG-CG 4.48Å; P279-F282 VanDerWaalsContact O-CB 3.28Å; P279-F282 WeakPolarHBondContact O-CB 3.3Å; P279-F282 PolarHBondContact O-N 2.69Å
280A89.6Confident93.5Very high92 Ų9258.2 Ų58.276%0.7633%0.33SS*.THydrogen-bonded Turntrans-59.6142.2173.500000110.6F282A280-F282 PolarHBondContact O-N 2.9Å; A280-F282 VanDerWaalsContact O-N 3.11Å
281N89.3Confident93.4Very high179 Ų17958.7 Ų58.796%0.95733%0.333SS*.THydrogen-bonded Turntrans59.315.6-177.3-53.3-36.1000115
282F92Very high93.3Very high87 Ų8759.2 Ų59.238%0.38234%0.335SS..  trans-96.5144.1174.5-153.9-90.1000110.7P279 A280 P284 D286 H287P279-F282 HydrophobicContact CB-CB 4.02Å; P279-F282 HydrophobicContact CG-CB 4.32Å; P279-F282 HydrophobicContact CG-CG 4.48Å; P279-F282 VanDerWaalsContact O-CB 3.28Å; P279-F282 WeakPolarHBondContact O-CB 3.3Å; P279-F282 PolarHBondContact O-N 2.69Å; A280-F282 PolarHBondContact O-N 2.9Å; A280-F282 VanDerWaalsContact O-N 3.11Å; F282-P284 WeakPolarHBondContact O-CD 3.39Å; F282-D286 HydrophobicContact CE1-CB 3.75Å; F282-D286 HydrophobicContact CZ-CB 4.36Å; F282-H287 HydrophobicContact CD1-CB 3.75Å; F282-H287 HydrophobicContact CE1-CB 3.97Å
283N93.2Very high93Very high28 Ų2859 Ų5915%0.1533%0.334CS..  trans-71.1119.1176.4-177.19.8000109.9P239 S241 S285 D286 H287P239-N283 PolarHBondContact O-ND2 2.68Å; P239-N283 VanDerWaalsContact O-ND2 3.08Å; S241-N283 WeakPolarHBondContact CA-OD1 3.35Å; S241-N283 PolarHBondContact N-OD1 3.48Å; N283-S285 VanDerWaalsContact C-N 3.26Å; N283-S285 PolarHBondContact ND2-OG 3.49Å; N283-S285 PolarHBondContact O-N 2.9Å; N283-S285 PolarHBondContact OD1-OG 2.59Å; N283-D286 HydrophobicContact CB-CB 4.11Å; N283-D286 VanDerWaalsContact CB-OD2 3.3Å; N283-D286 WeakPolarHBondContact CB-OD2 3.29Å; N283-D286 PolarHBondContact ND2-OD2 2.96Å; N283-D286 PolarHBondContact O-N 2.87Å; N283-H287 PolarHBondContact O-N 2.75Å
284P93.9Very high92.5Very high36 Ų3658.8 Ų58.823%0.23433%0.332CS..Hα-helixtrans-56.5-38.7-176.7-27.135.6000113.3F244 F282 D286 H287 Y288F244-P284 HydrophobicContact CD1-CB 4.28Å; F244-P284 HydrophobicContact CE1-CB 3.96Å; F244-P284 HydrophobicContact CZ-CB 4.43Å; F282-P284 WeakPolarHBondContact O-CD 3.39Å; P284-D286 VanDerWaalsContact C-N 3.33Å; P284-D286 PolarHBondContact O-N 3.07Å; P284-H287 WeakPolarHBondContact O-CB 3.44Å; P284-H287 PolarHBondContact O-N 3.21Å; P284-Y288 HydrophobicContact CB-CE2 3.94Å; P284-Y288 WeakPolarHBondContact O-CD2 3.39Å; P284-Y288 WeakPolarHBondContact O-CE2 3.41Å; P284-Y288 PolarHBondContact O-N 3.35Å
285S93.2Very high92.1Very high0 Ų063 Ų630%035%0.354CS..Hα-helixtrans-58.8-45.9176.556.30000111.9M71 P239 N283 H287 Y288 I289M71-S285 VanDerWaalsContact CE-CB 3.46Å; P239-S285 PolarHBondContact O-OG 3Å; N283-S285 VanDerWaalsContact C-N 3.26Å; N283-S285 PolarHBondContact ND2-OG 3.49Å; N283-S285 PolarHBondContact O-N 2.9Å; N283-S285 PolarHBondContact OD1-OG 2.59Å; S285-H287 VanDerWaalsContact C-N 3.29Å; S285-H287 PolarHBondContact O-N 2.98Å; S285-Y288 PolarHBondContact O-N 3.06Å; S285-I289 WeakPolarHBondContact O-CG1 3.39Å; S285-I289 PolarHBondContact O-N 3.37Å
286D93.4Very high91.6Very high52 Ų5261.7 Ų61.728%0.27835%0.353SS..Hα-helixtrans-68.9-34.8-177.6-60.9-19.4000110.3F282 N283 P284 K290F282-D286 HydrophobicContact CE1-CB 3.75Å; F282-D286 HydrophobicContact CZ-CB 4.36Å; N283-D286 HydrophobicContact CB-CB 4.11Å; N283-D286 VanDerWaalsContact CB-OD2 3.3Å; N283-D286 WeakPolarHBondContact CB-OD2 3.29Å; N283-D286 PolarHBondContact ND2-OD2 2.96Å; N283-D286 PolarHBondContact O-N 2.87Å; P284-D286 VanDerWaalsContact C-N 3.33Å; P284-D286 PolarHBondContact O-N 3.07Å; D286-K290 WeakPolarHBondContact O-CB 3.19Å; D286-K290 PolarHBondContact O-N 3.16Å
287H94.8Very high91.2Very high25 Ų2561.6 Ų61.612%0.11638%0.377CS..Hα-helixtrans-62.7-51.6176.4179.565000110.4Y276 P277 F282 N283 P284 S285 I289 K290 L291Y276-H287 PolarHBondContact O-NE2 2.91Å; P277-H287 PolarHBondContact O-CE1 3Å; P277-H287 PolarHBondContact O-NE2 3.1Å; F282-H287 HydrophobicContact CD1-CB 3.75Å; F282-H287 HydrophobicContact CE1-CB 3.97Å; N283-H287 PolarHBondContact O-N 2.75Å; P284-H287 WeakPolarHBondContact O-CB 3.44Å; P284-H287 PolarHBondContact O-N 3.21Å; S285-H287 VanDerWaalsContact C-N 3.29Å; S285-H287 PolarHBondContact O-N 2.98Å; H287-I289 PolarHBondContact O-N 2.92Å; H287-K290 PolarHBondContact O-N 3.45Å; H287-L291 VanDerWaalsContact O-CB 3.23Å; H287-L291 WeakPolarHBondContact O-CB 3.45Å; H287-L291 PolarHBondContact O-N 3.41Å
288Y94.8Very high90.9Very high3 Ų361.1 Ų61.11%0.01237%0.374CS..Hα-helixtrans-63.5-44.2-179.3-55.4-35.8000111.8F244 L250 L252 A267 A268 F271 P284 S285 K290 L291 L292F244-Y288 AromaticContact CZ-CE2 3.98Å; F244-Y288 HydrophobicContact CZ-CE2 3.98Å; L250-Y288 HydrophobicContact CD2-CD2 4.12Å; L250-Y288 HydrophobicContact CD2-CE2 4.13Å; L252-Y288 HydrophobicContact CD1-CD2 4.17Å; L252-Y288 HydrophobicContact CD1-CG 4Å; A267-Y288 HydrophobicContact CB-CE2 4.07Å; A268-Y288 WeakPolarHBondContact CA-OH 3.31Å; A268-Y288 PolarHBondContact N-OH 2.98Å; A268-Y288 VanDerWaalsContact N-OH 3.11Å; F271-Y288 HydrophobicContact CB-CE1 4.42Å; F271-Y288 AromaticContact CD2-CD1 3.51Å; F271-Y288 HydrophobicContact CD2-CD1 3.51Å; F271-Y288 AromaticContact CD2-CE1 3.31Å; F271-Y288 HydrophobicContact CD2-CE1 3.31Å; F271-Y288 HydrophobicContact CD2-CG 4.48Å; F271-Y288 AromaticContact CE2-CD1 3.62Å; F271-Y288 HydrophobicContact CE2-CD1 3.62Å; F271-Y288 AromaticContact CE2-CE1 3.82Å; F271-Y288 HydrophobicContact CE2-CE1 3.82Å; F271-Y288 HydrophobicContact CE2-CG 4.2Å; F271-Y288 HydrophobicContact CG-CD1 4.21Å; F271-Y288 HydrophobicContact CG-CE1 4.09Å; F271-Y288 HydrophobicContact CZ-CD1 4.38Å; P284-Y288 HydrophobicContact CB-CE2 3.94Å; P284-Y288 WeakPolarHBondContact O-CD2 3.39Å; P284-Y288 WeakPolarHBondContact O-CE2 3.41Å; P284-Y288 PolarHBondContact O-N 3.35Å; S285-Y288 PolarHBondContact O-N 3.06Å; Y288-K290 PolarHBondContact O-N 3.49Å; Y288-L291 PolarHBondContact O-N 3.02Å; Y288-L292 WeakPolarHBondContact O-CB 3.18Å; Y288-L292 WeakPolarHBondContact O-CG 3.37Å; Y288-L292 PolarHBondContact O-N 2.87Å; Y288-L292 VanDerWaalsContact O-N 3.1Å
289I93.1Very high90.6Very high7 Ų765.5 Ų65.54%0.03639%0.391CS..Hα-helixtrans-64.7-42.6179-62.4-67.3000111.1M71 G72 A73 Q238 S285 H287 L292 A293M71-I289 HydrophobicContact CB-CD1 4.49Å; M71-I289 HydrophobicContact CE-CG1 4.4Å; G72-I289 VanDerWaalsContact C-CD1 3.44Å; G72-I289 VanDerWaalsContact CA-CD1 3.4Å; A73-I289 HydrophobicContact CB-CG2 4.47Å; Q238-I289 HydrophobicContact CG-CB 4.31Å; Q238-I289 HydrophobicContact CG-CG1 4.08Å; Q238-I289 HydrophobicContact CG-CG2 4.19Å; Q238-I289 VanDerWaalsContact NE2-CG2 3.35Å; S285-I289 WeakPolarHBondContact O-CG1 3.39Å; S285-I289 PolarHBondContact O-N 3.37Å; H287-I289 PolarHBondContact O-N 2.92Å; I289-L292 PolarHBondContact O-N 3.27Å; I289-A293 WeakPolarHBondContact O-CB 3.35Å; I289-A293 PolarHBondContact O-N 3.28Å
290K91.7Very high90.3Very high160 Ų16066.2 Ų66.270%0.69640%0.402SS*.Hα-helixtrans-64.6-40.8176.9-173.1179.8-177.7-179.20111.8D286 H287 Y288 L292 A293D286-K290 WeakPolarHBondContact O-CB 3.19Å; D286-K290 PolarHBondContact O-N 3.16Å; H287-K290 PolarHBondContact O-N 3.45Å; Y288-K290 PolarHBondContact O-N 3.49Å; K290-L292 VanDerWaalsContact C-N 3.27Å; K290-L292 PolarHBondContact O-N 3.27Å; K290-A293 PolarHBondContact O-N 2.85Å
291L92.7Very high90.4Very high21 Ų2164.7 Ų64.711%0.1139%0.39CS..Hα-helixtrans-63.4-34.9179.7-177.770.1000112.5F271 Y276 H287 Y288 K305F271-L291 HydrophobicContact CD1-CD2 3.43Å; F271-L291 VanDerWaalsContact CD1-CD2 3.43Å; F271-L291 HydrophobicContact CE1-CD2 3.68Å; F271-L291 HydrophobicContact CG-CD2 4.25Å; Y276-L291 HydrophobicContact CD1-CD1 3.41Å; Y276-L291 VanDerWaalsContact CD1-CD1 3.41Å; Y276-L291 HydrophobicContact CD2-CD1 4.13Å; Y276-L291 HydrophobicContact CD2-CD2 4.34Å; Y276-L291 HydrophobicContact CE1-CD1 3.83Å; Y276-L291 HydrophobicContact CE2-CD1 4.47Å; Y276-L291 HydrophobicContact CG-CD1 3.58Å; Y276-L291 HydrophobicContact CG-CD2 4.08Å; Y276-L291 HydrophobicContact CG-CG 4.48Å; H287-L291 VanDerWaalsContact O-CB 3.23Å; H287-L291 WeakPolarHBondContact O-CB 3.45Å; H287-L291 PolarHBondContact O-N 3.41Å; Y288-L291 PolarHBondContact O-N 3.02Å; L291-K305 PolarHBondContact O-NZ 2.91Å
292L92.5Very high90.4Very high11 Ų1157 Ų576%0.05835%0.35CS..Hα-helixtrans-99.5-1.6-174.5-58.9178000113.9L252 A254 I259 Y288 I289 K290 L306 I309L252-L292 HydrophobicContact CB-CD1 3.99Å; L252-L292 HydrophobicContact CD1-CD1 4.17Å; L252-L292 HydrophobicContact CD2-CD1 4.37Å; L252-L292 HydrophobicContact CG-CD1 4.41Å; A254-L292 HydrophobicContact CB-CB 4.1Å; I259-L292 HydrophobicContact CB-CD1 4.38Å; I259-L292 HydrophobicContact CG1-CD1 4.45Å; I259-L292 HydrophobicContact CG1-CD2 4.43Å; I259-L292 HydrophobicContact CG2-CD1 4.36Å; I259-L292 HydrophobicContact CG2-CD2 3.81Å; Y288-L292 WeakPolarHBondContact O-CB 3.18Å; Y288-L292 WeakPolarHBondContact O-CG 3.37Å; Y288-L292 PolarHBondContact O-N 2.87Å; Y288-L292 VanDerWaalsContact O-N 3.1Å; I289-L292 PolarHBondContact O-N 3.27Å; K290-L292 VanDerWaalsContact C-N 3.27Å; K290-L292 PolarHBondContact O-N 3.27Å; L292-L306 HydrophobicContact CB-CD2 4.17Å; L292-L306 HydrophobicContact CD2-CD2 3.49Å; L292-L306 VanDerWaalsContact CD2-CD2 3.49Å; L292-L306 HydrophobicContact CG-CD2 4.41Å; L292-I309 HydrophobicContact CD2-CD1 4.25Å
293A88.5Confident90.2Very high37 Ų3754.3 Ų54.331%0.30634%0.344SS..PPolyproline II helixtrans-68.1142.4178.400000111.5I289 K290I289-A293 WeakPolarHBondContact O-CB 3.35Å; I289-A293 PolarHBondContact O-N 3.28Å; K290-A293 PolarHBondContact O-N 2.85Å
294S84.7Confident90.2Very high75 Ų7560 Ų6052%0.52437%0.369SS..PPolyproline II helixtrans-80130.5169.4-168.20000109.6
295I85.3Confident90.2Very high103 Ų10361.1 Ų61.153%0.52837%0.371SS..PPolyproline II helixtrans-96.5123.6177.9-58172.1000108G297 C298I295-G297 PolarHBondContact O-N 3.38Å; I295-C298 HydrophobicContact CB-CB 4.4Å; I295-C298 PolarHBondContact O-N 3.2Å
296P84.7Confident90.1Very high116 Ų11661.6 Ų61.675%0.75337%0.373SS*.THydrogen-bonded Turntrans-53.9129.7175.8-24.533.5000111.1C298P296-C298 VanDerWaalsContact C-N 3.35Å
297G86.4Confident90.1Very high78 Ų7861.8 Ų61.880%0.80438%0.375SS*.THydrogen-bonded Turntrans88.7-13.4-176.900000115.3I295I295-G297 PolarHBondContact O-N 3.38Å
298C88.4Confident90Very high68 Ų6865.7 Ų65.746%0.45939%0.388SS..  trans-121.925.1176.8-61.20000112.8I295 P296 A300 A301 C302I295-C298 HydrophobicContact CB-CB 4.4Å; I295-C298 PolarHBondContact O-N 3.2Å; P296-C298 VanDerWaalsContact C-N 3.35Å; C298-A300 VanDerWaalsContact C-N 3.31Å; C298-A300 PolarHBondContact O-N 3.49Å; C298-A301 PolarHBondContact O-N 2.87Å; C298-A301 VanDerWaalsContact O-N 3.14Å; C298-C302 PolarHBondContact O-N 2.87Å; C298-C302 PolarHBondContact O-SG 3.08Å
299E87.2Confident90Very high129 Ų12965.6 Ų65.660%0.60339%0.388SS*.Hα-helixtrans-56.7-41-171.5-64.2167.4170.500113C302 A303E299-C302 PolarHBondContact O-N 3.34Å; E299-A303 WeakPolarHBondContact O-CB 3.35Å; E299-A303 PolarHBondContact O-N 2.95Å
300A87.8Confident89.9Confident83 Ų8365.9 Ų65.969%0.68639%0.39SS*.Hα-helixtrans-63.7-4617800000112.3C298 A303 E304C298-A300 VanDerWaalsContact C-N 3.31Å; C298-A300 PolarHBondContact O-N 3.49Å; A300-A303 PolarHBondContact O-N 2.91Å; A300-E304 PolarHBondContact O-N 3.29Å
301A90.2Very high90Very high61 Ų6163.9 Ų63.950%0.50438%0.384SS..Hα-helixtrans-66.3-39.2177.500000111.6C298 E304 K305C298-A301 PolarHBondContact O-N 2.87Å; C298-A301 VanDerWaalsContact O-N 3.14Å; A301-E304 PolarHBondContact O-N 3.14Å; A301-K305 WeakPolarHBondContact O-CB 3.13Å; A301-K305 PolarHBondContact O-N 2.77Å
302C89.8Confident90Very high18 Ų1867.5 Ų67.512%0.12240%0.399CS..Hα-helixtrans-61.1-44.8172.7-70.20000111.3C298 E299 E304 K305 L306C298-C302 PolarHBondContact O-N 2.87Å; C298-C302 PolarHBondContact O-SG 3.08Å; E299-C302 PolarHBondContact O-N 3.34Å; C302-E304 PolarHBondContact O-N 2.91Å; C302-K305 PolarHBondContact O-N 3Å; C302-L306 VanDerWaalsContact O-CG 3.28Å; C302-L306 WeakPolarHBondContact O-CG 3.21Å; C302-L306 PolarHBondContact O-N 2.89Å
303A88.7Confident90Very high30 Ų3067 Ų6725%0.24840%0.396CS..Hα-helixtrans-64-39.1178.200000112.5E299 A300 L306 N307E299-A303 WeakPolarHBondContact O-CB 3.35Å; E299-A303 PolarHBondContact O-N 2.95Å; A300-A303 PolarHBondContact O-N 2.91Å; A303-L306 PolarHBondContact O-N 3.04Å; A303-N307 WeakPolarHBondContact O-CB 3.23Å; A303-N307 PolarHBondContact O-N 2.64Å
304E92.3Very high90.1Very high146 Ų14668.9 Ų68.968%0.68240%0.399SS*.Hα-helixtrans-64.4-46.1175-168.8178.1-171.700111.6A300 A301 C302 L306 N307 W308A300-E304 PolarHBondContact O-N 3.29Å; A301-E304 PolarHBondContact O-N 3.14Å; C302-E304 PolarHBondContact O-N 2.91Å; E304-L306 PolarHBondContact O-N 3.38Å; E304-N307 WeakPolarHBondContact O-CB 3.43Å; E304-N307 PolarHBondContact O-N 2.78Å; E304-W308 PolarHBondContact O-N 2.8Å
305K93Very high90.3Very high60 Ų6073.3 Ų73.326%0.26141%0.409SS..Hα-helixtrans-56.8-47.1173.5-179.4-172.2176.3-166.80111.7Y276 L291 A301 C302 N307 W308 I309Y276-K305 WeakPolarHBondContact OH-CE 3.24Å; L291-K305 PolarHBondContact O-NZ 2.91Å; A301-K305 WeakPolarHBondContact O-CB 3.13Å; A301-K305 PolarHBondContact O-N 2.77Å; C302-K305 PolarHBondContact O-N 3Å; K305-N307 PolarHBondContact O-N 3.12Å; K305-W308 PolarHBondContact O-N 2.68Å; K305-I309 HydrophobicContact CG-CD1 4.12Å; K305-I309 WeakPolarHBondContact O-CG1 3.46Å; K305-I309 PolarHBondContact O-N 2.86Å
306L92.8Very high90.5Very high10 Ų1071.5 Ų71.55%0.05240%0.398CS..Hα-helixtrans-62-42.8178.8-71.8176.4000112A254 D255 I259 L292 C302 A303 E304 I309 S310A254-L306 HydrophobicContact CB-CD1 3.76Å; A254-L306 HydrophobicContact CB-CD2 3.68Å; A254-L306 HydrophobicContact CB-CG 4.36Å; D255-L306 HydrophobicContact CB-CD1 4.09Å; I259-L306 HydrophobicContact CD1-CB 4.19Å; I259-L306 HydrophobicContact CD1-CD2 4.03Å; I259-L306 HydrophobicContact CG1-CD2 4.28Å; L292-L306 HydrophobicContact CB-CD2 4.17Å; L292-L306 HydrophobicContact CD2-CD2 3.49Å; L292-L306 VanDerWaalsContact CD2-CD2 3.49Å; L292-L306 HydrophobicContact CG-CD2 4.41Å; C302-L306 VanDerWaalsContact O-CG 3.28Å; C302-L306 WeakPolarHBondContact O-CG 3.21Å; C302-L306 PolarHBondContact O-N 2.89Å; A303-L306 PolarHBondContact O-N 3.04Å; E304-L306 PolarHBondContact O-N 3.38Å; L306-I309 PolarHBondContact O-N 3.08Å; L306-S310 WeakPolarHBondContact O-CB 3.24Å; L306-S310 PolarHBondContact O-N 2.8Å
307N91.8Very high90.7Very high57 Ų5773.3 Ų73.331%0.30539%0.394SS..Hα-helixtrans-60.3-45174.6-84.7-20.4000111.6R257 A303 E304 K305 S310 Q311R257-N307 PolarHBondContact NH1-OD1 3.37Å; A303-N307 WeakPolarHBondContact O-CB 3.23Å; A303-N307 PolarHBondContact O-N 2.64Å; E304-N307 WeakPolarHBondContact O-CB 3.43Å; E304-N307 PolarHBondContact O-N 2.78Å; K305-N307 PolarHBondContact O-N 3.12Å; N307-S310 PolarHBondContact O-N 3.03Å; N307-Q311 WeakPolarHBondContact O-CB 3.17Å; N307-Q311 VanDerWaalsContact O-CG 3.31Å; N307-Q311 WeakPolarHBondContact O-CG 3.47Å; N307-Q311 PolarHBondContact O-N 3.12Å
308W93.9Very high90.7Very high107 Ų10770.4 Ų70.441%0.40536%0.361SS..Hα-helixtrans-61.8-46.1178.3177.484.8000112.2L274 Y276 E304 K305 S310 Q311 K312L274-W308 HydrophobicContact CB-CH2 4.14Å; L274-W308 HydrophobicContact CB-CZ3 4.16Å; L274-W308 HydrophobicContact CD1-CZ3 4.32Å; L274-W308 HydrophobicContact CD2-CH2 3.84Å; L274-W308 HydrophobicContact CD2-CZ2 4.49Å; L274-W308 HydrophobicContact CD2-CZ3 4.2Å; L274-W308 HydrophobicContact CG-CH2 4.46Å; L274-W308 HydrophobicContact CG-CZ3 4.47Å; Y276-W308 HydrophobicContact CE2-CZ3 4.32Å; E304-W308 PolarHBondContact O-N 2.8Å; K305-W308 PolarHBondContact O-N 2.68Å; W308-S310 PolarHBondContact O-N 3.34Å; W308-Q311 PolarHBondContact O-N 2.88Å; W308-K312 HydrophobicContact CD2-CG 4.35Å; W308-K312 HydrophobicContact CZ2-CG 4.22Å; W308-K312 WeakPolarHBondContact O-CG 3.45Å; W308-K312 PolarHBondContact O-N 2.98Å
309I94.6Very high90.8Very high0 Ų068.1 Ų68.10%034%0.343CS..Hα-helixtrans-61-46.8176.3-63.5172.9000110.4I259 F270 F271 L274 L292 K305 L306 Q311 K312 F313I259-I309 HydrophobicContact CG2-CB 4.15Å; I259-I309 HydrophobicContact CG2-CG2 3.45Å; I259-I309 VanDerWaalsContact CG2-CG2 3.45Å; F270-I309 HydrophobicContact CE1-CG2 3.97Å; F270-I309 HydrophobicContact CZ-CG2 4.09Å; F271-I309 HydrophobicContact CE1-CG2 4.22Å; L274-I309 HydrophobicContact CD1-CB 4.4Å; L274-I309 HydrophobicContact CD1-CG1 4.23Å; L274-I309 HydrophobicContact CD1-CG2 3.86Å; L292-I309 HydrophobicContact CD2-CD1 4.25Å; K305-I309 HydrophobicContact CG-CD1 4.12Å; K305-I309 WeakPolarHBondContact O-CG1 3.46Å; K305-I309 PolarHBondContact O-N 2.86Å; L306-I309 PolarHBondContact O-N 3.08Å; I309-Q311 VanDerWaalsContact C-N 3.35Å; I309-Q311 PolarHBondContact O-N 3.1Å; I309-K312 PolarHBondContact O-N 2.99Å; I309-F313 PolarHBondContact O-N 3.16Å
310S91.9Very high90.9Very high13 Ų1366.8 Ų66.89%0.09134%0.339CS..Hα-helixtrans-59.7-43.1179.2176.10000112.2L306 N307 W308 F313 M314L306-S310 WeakPolarHBondContact O-CB 3.24Å; L306-S310 PolarHBondContact O-N 2.8Å; N307-S310 PolarHBondContact O-N 3.03Å; W308-S310 PolarHBondContact O-N 3.34Å; S310-F313 PolarHBondContact O-N 3.32Å; S310-M314 WeakPolarHBondContact O-CG 3.16Å; S310-M314 PolarHBondContact O-N 3.36Å; S310-M314 VanDerWaalsContact O-N 3.09Å
311Q92.5Very high91.1Very high119 Ų11969 Ų6956%0.55633%0.334SS*.Hα-helixtrans-66.9-36.8177.2-73.8177.59.600112.5N307 W308 I309 M314N307-Q311 WeakPolarHBondContact O-CB 3.17Å; N307-Q311 VanDerWaalsContact O-CG 3.31Å; N307-Q311 WeakPolarHBondContact O-CG 3.47Å; N307-Q311 PolarHBondContact O-N 3.12Å; W308-Q311 PolarHBondContact O-N 2.88Å; I309-Q311 VanDerWaalsContact C-N 3.35Å; I309-Q311 PolarHBondContact O-N 3.1Å; Q311-M314 PolarHBondContact O-N 2.84Å
312K93.6Very high91Very high97 Ų9766.6 Ų66.642%0.42231%0.312SS..Hα-helixtrans-64.9-42.4174.3-75.3-71.4-174.1172.40111.2L274 W308 I309 M314 K315L274-K312 HydrophobicContact CD2-CB 3.91Å; L274-K312 HydrophobicContact CD2-CD 4.42Å; L274-K312 HydrophobicContact CD2-CG 3.97Å; W308-K312 HydrophobicContact CD2-CG 4.35Å; W308-K312 HydrophobicContact CZ2-CG 4.22Å; W308-K312 WeakPolarHBondContact O-CG 3.45Å; W308-K312 PolarHBondContact O-N 2.98Å; I309-K312 PolarHBondContact O-N 2.99Å; K312-M314 VanDerWaalsContact C-N 3.31Å; K312-M314 PolarHBondContact O-N 3.31Å; K312-K315 PolarHBondContact O-N 3.37Å; K312-K315 VanDerWaalsContact O-N 3.12Å
313F92.9Very high91Very high0 Ų069.7 Ų69.70%032%0.323CS..Hα-helixtrans-60.3-40.5175.7-175.9-109.4000112.2Y59 Y260 F261 F270 I309 S310 K315 E316 Y319Y59-F313 HydrophobicContact CE2-CE1 4.27Å; Y59-F313 WeakPolarHBondContact OH-CD1 3.41Å; Y260-F313 AromaticContact CD2-CD2 3.72Å; Y260-F313 HydrophobicContact CD2-CD2 3.72Å; Y260-F313 AromaticContact CD2-CE2 3.5Å; Y260-F313 HydrophobicContact CD2-CE2 3.5Å; Y260-F313 HydrophobicContact CD2-CZ 4.27Å; Y260-F313 HydrophobicContact CE2-CD2 4.28Å; Y260-F313 AromaticContact CE2-CE2 3.72Å; Y260-F313 HydrophobicContact CE2-CE2 3.72Å; Y260-F313 HydrophobicContact CG-CE2 4.41Å; F261-F313 HydrophobicContact CB-CE1 4.3Å; F261-F313 HydrophobicContact CB-CZ 4.47Å; F261-F313 WeakPolarHBondContact O-CZ 3.3Å; F270-F313 HydrophobicContact CD2-CD2 4.18Å; F270-F313 HydrophobicContact CE1-CB 4.37Å; F270-F313 HydrophobicContact CE1-CD2 4.26Å; F270-F313 HydrophobicContact CE2-CB 3.98Å; F270-F313 AromaticContact CE2-CD2 3.87Å; F270-F313 HydrophobicContact CE2-CD2 3.87Å; F270-F313 HydrophobicContact CE2-CG 4.44Å; F270-F313 HydrophobicContact CG-CD2 4.5Å; F270-F313 HydrophobicContact CZ-CB 3.59Å; F270-F313 AromaticContact CZ-CD2 3.92Å; F270-F313 HydrophobicContact CZ-CD2 3.92Å; F270-F313 HydrophobicContact CZ-CG 4.2Å; I309-F313 PolarHBondContact O-N 3.16Å; S310-F313 PolarHBondContact O-N 3.32Å; F313-K315 PolarHBondContact O-N 3.26Å; F313-E316 HydrophobicContact CD2-CB 4.43Å; F313-E316 WeakPolarHBondContact O-CB 3.45Å; F313-E316 PolarHBondContact O-N 2.91Å; F313-Y319 HydrophobicContact CD1-CD2 4.32Å; F313-Y319 AromaticContact CE1-CD2 3.97Å; F313-Y319 HydrophobicContact CE1-CD2 3.97Å; F313-Y319 HydrophobicContact CE1-CG 4.4Å; F313-Y319 WeakPolarHBondContact O-CB 3.48Å
314M89.6Confident91Very high77 Ų7775.5 Ų75.538%0.37934%0.343SS..THydrogen-bonded Turntrans-62.5-13176.8-72.3-174.3-18000114.9Y59 S310 Q311 K312 Y319Y59-M314 HydrophobicContact CE1-CE 3.75Å; S310-M314 WeakPolarHBondContact O-CG 3.16Å; S310-M314 PolarHBondContact O-N 3.36Å; S310-M314 VanDerWaalsContact O-N 3.09Å; Q311-M314 PolarHBondContact O-N 2.84Å; K312-M314 VanDerWaalsContact C-N 3.31Å; K312-M314 PolarHBondContact O-N 3.31Å; M314-Y319 HydrophobicContact CB-CD1 4.23Å; M314-Y319 HydrophobicContact CB-CE1 4.15Å; M314-Y319 HydrophobicContact CG-CD2 4.4Å; M314-Y319 HydrophobicContact CG-CE1 4.29Å; M314-Y319 HydrophobicContact CG-CE2 4.11Å; M314-Y319 WeakPolarHBondContact O-CD1 3.29Å
315K89.3Confident90.8Very high168 Ų16872.3 Ų72.373%0.7333%0.328SS*.THydrogen-bonded Turntrans-100.2-6175.1-62.5-178.9-178-1760112.9K312 F313K312-K315 PolarHBondContact O-N 3.37Å; K312-K315 VanDerWaalsContact O-N 3.12Å; F313-K315 PolarHBondContact O-N 3.26Å
316E89.3Confident90.3Very high64 Ų6469.7 Ų69.730%0.29932%0.317SS..SBendtrans-79.6150.8-175.8-145.4-70.1127.300110.3F270 F313 T318 Y319 L320F270-E316 HydrophobicContact CD2-CG 4.12Å; F270-E316 HydrophobicContact CE2-CG 4.46Å; F313-E316 HydrophobicContact CD2-CB 4.43Å; F313-E316 WeakPolarHBondContact O-CB 3.45Å; F313-E316 PolarHBondContact O-N 2.91Å; E316-T318 PolarHBondContact O-N 3.42Å; E316-T318 WeakPolarHBondContact OE2-CA 3.34Å; E316-T318 WeakPolarHBondContact OE2-CB 3.42Å; E316-T318 PolarHBondContact OE2-N 3.1Å; E316-T318 PolarHBondContact OE2-OG1 3.19Å; E316-T318 VanDerWaalsContact OE2-OG1 3.09Å; E316-Y319 PolarHBondContact O-N 2.81Å; E316-L320 PolarHBondContact O-N 3.31Å
317K89.4Confident89.9Confident155 Ų15573.2 Ų73.267%0.67434%0.336SS*.Hα-helixtrans-61.8-34.9-176.8-72.1-178.4179.4178.10111.9L320 K321K317-L320 PolarHBondContact O-N 2.91Å; K317-K321 WeakPolarHBondContact O-CG 3.25Å; K317-K321 PolarHBondContact O-N 3.4Å
318T86.6Confident89.6Confident17 Ų1772.8 Ų72.810%0.10434%0.337CS..Hα-helixtrans-65-38.3179.3-61.20000111.3E266 E316 L322E266-T318 WeakPolarHBondContact OE2-CG2 2.91Å; E266-T318 PolarHBondContact OE2-OG1 2.85Å; E316-T318 PolarHBondContact O-N 3.42Å; E316-T318 WeakPolarHBondContact OE2-CA 3.34Å; E316-T318 WeakPolarHBondContact OE2-CB 3.42Å; E316-T318 PolarHBondContact OE2-N 3.1Å; E316-T318 PolarHBondContact OE2-OG1 3.19Å; E316-T318 VanDerWaalsContact OE2-OG1 3.09Å; T318-L322 WeakPolarHBondContact O-CB 3.48Å; T318-L322 PolarHBondContact O-N 2.95Å
319Y89.5Confident88.8Confident20 Ų2069.4 Ų69.48%0.07833%0.327CS..Hα-helixtrans-65.6-43.8171.1174-97.5000112.3Y59 F313 M314 E316 K321 L322 K323Y59-Y319 HydrophobicContact CD2-CE2 4.11Å; Y59-Y319 HydrophobicContact CE1-CE2 4.3Å; Y59-Y319 AromaticContact CE2-CD2 3.72Å; Y59-Y319 HydrophobicContact CE2-CD2 3.72Å; Y59-Y319 AromaticContact CE2-CE2 3.58Å; Y59-Y319 HydrophobicContact CE2-CE2 3.58Å; Y59-Y319 AromaticContact CZ-CD2 3.98Å; Y59-Y319 AromaticContact CZ-CE2 3.7Å; F313-Y319 HydrophobicContact CD1-CD2 4.32Å; F313-Y319 AromaticContact CE1-CD2 3.97Å; F313-Y319 HydrophobicContact CE1-CD2 3.97Å; F313-Y319 HydrophobicContact CE1-CG 4.4Å; F313-Y319 WeakPolarHBondContact O-CB 3.48Å; M314-Y319 HydrophobicContact CB-CD1 4.23Å; M314-Y319 HydrophobicContact CB-CE1 4.15Å; M314-Y319 HydrophobicContact CG-CD2 4.4Å; M314-Y319 HydrophobicContact CG-CE1 4.29Å; M314-Y319 HydrophobicContact CG-CE2 4.11Å; M314-Y319 WeakPolarHBondContact O-CD1 3.29Å; E316-Y319 PolarHBondContact O-N 2.81Å; Y319-K321 VanDerWaalsContact C-N 3.31Å; Y319-K321 PolarHBondContact O-N 3.4Å; Y319-L322 WeakPolarHBondContact O-CB 3.29Å; Y319-L322 PolarHBondContact O-N 2.85Å; Y319-K323 HydrophobicContact CE1-CB 4.5Å; Y319-K323 HydrophobicContact CE1-CD 4.17Å; Y319-K323 WeakPolarHBondContact O-CB 3.36Å; Y319-K323 PolarHBondContact O-N 3.28Å
320L89.7Confident87.8Confident101 Ų10171.2 Ų71.253%0.52934%0.34SS..Hα-helixtrans-61.9-40178.8-66.8174000111.8E316 K317 K323 F324E316-L320 PolarHBondContact O-N 3.31Å; K317-L320 PolarHBondContact O-N 2.91Å; L320-K323 PolarHBondContact O-N 2.79Å; L320-F324 WeakPolarHBondContact O-CB 3.18Å; L320-F324 PolarHBondContact O-N 2.82Å
321K90.7Very high86.6Confident130 Ų13073.7 Ų73.757%0.56536%0.361SS*.Hα-helixtrans-62.2-46.1172.8-73.6177-177.2176.60111.9K317 Y319 K323 F324 Q325K317-K321 WeakPolarHBondContact O-CG 3.25Å; K317-K321 PolarHBondContact O-N 3.4Å; Y319-K321 VanDerWaalsContact C-N 3.31Å; Y319-K321 PolarHBondContact O-N 3.4Å; K321-K323 PolarHBondContact O-N 3.42Å; K321-F324 PolarHBondContact O-N 3.35Å; K321-Q325 WeakPolarHBondContact O-CG 3.36Å; K321-Q325 PolarHBondContact O-N 2.74Å
322L89.2Confident85Confident9 Ų974.4 Ų74.45%0.04737%0.369CS..Hα-helixtrans-58.3-48.5176.9175.268.3000111.1Y59 L61 F261 T318 Y319 Q325 I326Y59-L322 HydrophobicContact CD2-CD2 3.9Å; Y59-L322 HydrophobicContact CE2-CD2 4.02Å; L61-L322 HydrophobicContact CB-CD1 3.52Å; L61-L322 HydrophobicContact CD2-CD1 4.24Å; F261-L322 HydrophobicContact CB-CD2 3.98Å; F261-L322 HydrophobicContact CD1-CD1 3.7Å; F261-L322 HydrophobicContact CD1-CD2 3.51Å; F261-L322 HydrophobicContact CD1-CG 4.22Å; F261-L322 HydrophobicContact CE1-CD1 3.73Å; F261-L322 HydrophobicContact CE1-CD2 4.35Å; F261-L322 HydrophobicContact CG-CD2 3.9Å; T318-L322 WeakPolarHBondContact O-CB 3.48Å; T318-L322 PolarHBondContact O-N 2.95Å; Y319-L322 WeakPolarHBondContact O-CB 3.29Å; Y319-L322 PolarHBondContact O-N 2.85Å; L322-Q325 PolarHBondContact O-N 3Å; L322-I326 HydrophobicContact CD1-CD1 4.05Å; L322-I326 HydrophobicContact CD1-CG1 4.44Å; L322-I326 HydrophobicContact CG-CD1 4Å; L322-I326 WeakPolarHBondContact O-CG1 3.3Å; L322-I326 PolarHBondContact O-N 3.34Å
323K89Confident83.3Confident83 Ų8374 Ų7436%0.36137%0.368SS..Hα-helixtrans-60.8-46.9179.2-173.9173.2179.8178.80111.1Y319 L320 K321 Q325 I326 D327Y319-K323 HydrophobicContact CE1-CB 4.5Å; Y319-K323 HydrophobicContact CE1-CD 4.17Å; Y319-K323 WeakPolarHBondContact O-CB 3.36Å; Y319-K323 PolarHBondContact O-N 3.28Å; L320-K323 PolarHBondContact O-N 2.79Å; K321-K323 PolarHBondContact O-N 3.42Å; K323-Q325 VanDerWaalsContact C-N 3.33Å; K323-Q325 PolarHBondContact O-N 2.97Å; K323-I326 PolarHBondContact O-N 3Å; K323-D327 WeakPolarHBondContact O-CB 3.16Å; K323-D327 PolarHBondContact O-N 3.13Å
324F89.6Confident81.2Confident153 Ų15382.6 Ų82.667%0.67141%0.408SS*.Hα-helixtrans-58.9-42.8175.4-177.8-95.2000112.5L320 K321 D327 S328L320-F324 WeakPolarHBondContact O-CB 3.18Å; L320-F324 PolarHBondContact O-N 2.82Å; K321-F324 PolarHBondContact O-N 3.35Å; F324-D327 PolarHBondContact O-N 3.07Å; F324-S328 WeakPolarHBondContact O-CB 3.19Å; F324-S328 PolarHBondContact O-N 3.11Å; F324-S328 PolarHBondContact O-OG 3.42Å
325Q87.1Confident79.2Confident78 Ų7886.6 Ų86.636%0.36443%0.426SS..Hα-helixtrans-61.9-46.7176.2-76.7178.6-15.300111.9L61 K321 L322 K323 D327 S328 I329L61-Q325 HydrophobicContact CD2-CB 3.9Å; K321-Q325 WeakPolarHBondContact O-CG 3.36Å; K321-Q325 PolarHBondContact O-N 2.74Å; L322-Q325 PolarHBondContact O-N 3Å; K323-Q325 VanDerWaalsContact C-N 3.33Å; K323-Q325 PolarHBondContact O-N 2.97Å; Q325-D327 PolarHBondContact O-N 3.26Å; Q325-S328 WeakPolarHBondContact CA-OG 3.45Å; Q325-S328 PolarHBondContact O-N 3.49Å; Q325-S328 PolarHBondContact O-OG 3.42Å; Q325-I329 WeakPolarHBondContact O-CD1 3.45Å; Q325-I329 VanDerWaalsContact O-CG1 3.26Å; Q325-I329 WeakPolarHBondContact O-CG1 3.38Å; Q325-I329 PolarHBondContact O-N 2.94Å
326I83.3Confident77.2Confident6 Ų684.8 Ų84.83%0.03143%0.429CS..Hα-helixtrans-61.3-45.4177.3-67.4170.9000110.7L61 L322 K323 S328 I329 S330L61-I326 HydrophobicContact CB-CD1 4.4Å; L61-I326 HydrophobicContact CB-CG1 4.2Å; L61-I326 HydrophobicContact CD1-CG1 4.48Å; L322-I326 HydrophobicContact CD1-CD1 4.05Å; L322-I326 HydrophobicContact CD1-CG1 4.44Å; L322-I326 HydrophobicContact CG-CD1 4Å; L322-I326 WeakPolarHBondContact O-CG1 3.3Å; L322-I326 PolarHBondContact O-N 3.34Å; K323-I326 PolarHBondContact O-N 3Å; I326-S328 PolarHBondContact O-N 3.4Å; I326-I329 PolarHBondContact O-N 2.96Å; I326-S330 WeakPolarHBondContact O-CB 3.25Å; I326-S330 PolarHBondContact O-N 3.36Å; I326-S330 PolarHBondContact O-OG 3.24Å
327D85Confident75.3Confident83 Ų8385.4 Ų85.444%0.44443%0.431SS..Hα-helixtrans-63.4-42.1179.9-68.3-18.5000110.9K323 F324 Q325 S330 A331K323-D327 WeakPolarHBondContact O-CB 3.16Å; K323-D327 PolarHBondContact O-N 3.13Å; F324-D327 PolarHBondContact O-N 3.07Å; Q325-D327 PolarHBondContact O-N 3.26Å; D327-S330 PolarHBondContact O-N 3.33Å; D327-A331 WeakPolarHBondContact O-CB 3.47Å; D327-A331 PolarHBondContact O-N 2.98Å
328S84Confident73.2Confident48 Ų4881.7 Ų81.734%0.33642%0.424SS..Hα-helixtrans-63.3-44.217766.20000113F324 Q325 I326 S330 A331 D332F324-S328 WeakPolarHBondContact O-CB 3.19Å; F324-S328 PolarHBondContact O-N 3.11Å; F324-S328 PolarHBondContact O-OG 3.42Å; Q325-S328 WeakPolarHBondContact CA-OG 3.45Å; Q325-S328 PolarHBondContact O-N 3.49Å; Q325-S328 PolarHBondContact O-OG 3.42Å; I326-S328 PolarHBondContact O-N 3.4Å; S328-S330 PolarHBondContact O-N 3.26Å; S328-A331 PolarHBondContact O-N 2.97Å; S328-D332 PolarHBondContact O-N 3.37Å
329I77.5Confident71.2Confident37 Ų3788.8 Ų88.819%0.1945%0.454CS..Hα-helixtrans-63.9-32.6177.4-67.9165.1000110.9L61 G103 Q325 I326L61-I329 HydrophobicContact CD1-CD1 3.82Å; L61-I329 HydrophobicContact CD2-CD1 4.35Å; G103-I329 VanDerWaalsContact CA-O 3.29Å; G103-I329 WeakPolarHBondContact CA-O 3.2Å; G103-I329 VanDerWaalsContact N-CG2 3.34Å; Q325-I329 WeakPolarHBondContact O-CD1 3.45Å; Q325-I329 VanDerWaalsContact O-CG1 3.26Å; Q325-I329 WeakPolarHBondContact O-CG1 3.38Å; Q325-I329 PolarHBondContact O-N 2.94Å; I326-I329 PolarHBondContact O-N 2.96Å
330S74Confident69.1Low37 Ų3793 Ų9326%0.25948%0.482SS..Hα-helixtrans-78.3-32.7-179.9-51.50000112.4L100 I326 D327 S328L100-S330 WeakPolarHBondContact CD1-OG 3.47Å; I326-S330 WeakPolarHBondContact O-CB 3.25Å; I326-S330 PolarHBondContact O-N 3.36Å; I326-S330 PolarHBondContact O-OG 3.24Å; D327-S330 PolarHBondContact O-N 3.33Å; S328-S330 PolarHBondContact O-N 3.26Å
331A66.9Low67.3Low66 Ų6690.6 Ų90.655%0.54547%0.467SS..Hα-helixtrans-75.7-33.3-176.200000113.5D327 S328 H333D327-A331 WeakPolarHBondContact O-CB 3.47Å; D327-A331 PolarHBondContact O-N 2.98Å; S328-A331 PolarHBondContact O-N 2.97Å; A331-H333 PolarHBondContact O-N 3.43Å
332D59.2Low65.3Low133 Ų13394.3 Ų94.371%0.71148%0.478SS*.SBendtrans-67.3-21.2-175.6-85.4-18.3000113.2S328S328-D332 PolarHBondContact O-N 3.37Å
333H57.2Low63.5Low89 Ų8998.8 Ų98.841%0.41251%0.505SS..  trans-134.575.8-162.7-73.40.6000113.4N102 F104 A331 E335N102-H333 PolarHBondContact O-CD2 2.98Å; F104-H333 HydrophobicContact CD1-CB 4.25Å; F104-H333 HydrophobicContact CE1-CB 3.65Å; F104-H333 HydrophobicContact CE2-CB 4.02Å; F104-H333 AromaticContact CE2-CD2 3.27Å; F104-H333 WeakPolarHBondContact CE2-CD2 3.4Å; F104-H333 AromaticContact CE2-CG 3.87Å; F104-H333 HydrophobicContact CZ-CB 3.52Å; F104-H333 AromaticContact CZ-CD2 3.38Å; F104-H333 WeakPolarHBondContact CZ-CD2 3.34Å; F104-H333 AromaticContact CZ-CG 3.52Å; A331-H333 PolarHBondContact O-N 3.43Å; H333-E335 VanDerWaalsContact C-N 3.31Å
334H48.2Very low62.3Low180 Ų180101.1 Ų101.183%0.83352%0.515SS*.  trans-80.7-3.3170.3-93.8-68.5000114.5
335E48.6Very low61.3Low162 Ų16295.5 Ų95.576%0.75749%0.49SS*.SBendtrans-74.1141177.8-72.2-167.116100111.8F104 H333 F337F104-E335 WeakPolarHBondContact CD1-O 3.13Å; F104-E335 HydrophobicContact CE1-CB 4.47Å; F104-E335 WeakPolarHBondContact CE1-O 3.46Å; H333-E335 VanDerWaalsContact C-N 3.31Å; E335-F337 PolarHBondContact O-N 2.95Å
336T47.4Very low60.7Low129 Ų12995.2 Ų95.279%0.79149%0.491SS*.  trans-74.6112.3176.7-42.50000107.8S338T336-S338 PolarHBondContact O-N 2.86Å
337F49Very low60.7Low77 Ų7795.2 Ų95.234%0.33849%0.491SS..  trans-45.1118.7177.2-158.3-82.9000109.7F104 I106 E335 K339 F341F104-F337 HydrophobicContact CB-CB 4.17Å; F104-F337 HydrophobicContact CB-CD2 4.07Å; F104-F337 HydrophobicContact CD1-CB 4.15Å; F104-F337 HydrophobicContact CD1-CD2 4.21Å; F104-F337 AromaticContact CD2-CD2 3.59Å; F104-F337 HydrophobicContact CD2-CD2 3.59Å; F104-F337 HydrophobicContact CD2-CE2 4.15Å; F104-F337 AromaticContact CE2-CD2 3.97Å; F104-F337 HydrophobicContact CE2-CD2 3.97Å; F104-F337 HydrophobicContact CE2-CE2 4.37Å; F104-F337 HydrophobicContact CG-CB 4.18Å; F104-F337 AromaticContact CG-CD2 3.7Å; F104-F337 HydrophobicContact CG-CD2 3.7Å; F104-F337 HydrophobicContact CG-CG 4.43Å; F104-F337 HydrophobicContact CZ-CD2 4.43Å; I106-F337 HydrophobicContact CG2-CB 4.28Å; I106-F337 HydrophobicContact CG2-CD2 4.45Å; I106-F337 HydrophobicContact CG2-CG 4.15Å; E335-F337 PolarHBondContact O-N 2.95Å; F337-K339 PolarHBondContact O-N 3.14Å; F337-K339 VanDerWaalsContact O-N 3.15Å; F337-F341 HydrophobicContact CD1-CE2 4.01Å; F337-F341 HydrophobicContact CE1-CD2 4.14Å; F337-F341 AromaticContact CE1-CE2 3.27Å; F337-F341 HydrophobicContact CE1-CE2 3.27Å; F337-F341 AromaticContact CE1-CZ 3.94Å; F337-F341 HydrophobicContact CE1-CZ 3.94Å; F337-F341 HydrophobicContact CZ-CE2 4.03Å; F337-F341 HydrophobicContact CZ-CZ 4.38Å
338S44.6Very low60.8Low78 Ų7893.3 Ų93.355%0.54549%0.491SS..  trans-50.7124.1-177.9166.50000109.1T336 T340T336-S338 PolarHBondContact O-N 2.86Å; S338-T340 PolarHBondContact O-N 2.99Å; S338-T340 PolarHBondContact O-OG1 3.15Å; S338-T340 PolarHBondContact OG-OG1 3.4Å
339K46.1Very low61.2Low165 Ų16595 Ų9572%0.71749%0.49SS*.  trans-68.940.8-178.2-69.2-178.8177.81720112.9F337 F341F337-K339 PolarHBondContact O-N 3.14Å; F337-K339 VanDerWaalsContact O-N 3.15Å; K339-F341 PolarHBondContact O-N 3.09Å
340T45.8Very low61.9Low109 Ų109102.4 Ų102.467%0.66952%0.516SS*.  trans-75.7-10.7-1783.10000112.8S338 R342S338-T340 PolarHBondContact O-N 2.99Å; S338-T340 PolarHBondContact O-OG1 3.15Å; S338-T340 PolarHBondContact OG-OG1 3.4Å; T340-R342 VanDerWaalsContact C-N 3.3Å; T340-R342 PolarHBondContact O-N 2.84Å
341F50.1Low62.8Low50 Ų50102.5 Ų102.522%0.21951%0.513CS..  trans-78.474.2171.6-59.1-64.3000111.8F11 E109 A112 V113 F337 K339F11-F341 AromaticContact CE1-CE1 3.47Å; F11-F341 HydrophobicContact CE1-CE1 3.47Å; F11-F341 VanDerWaalsContact CE1-CE1 3.47Å; F11-F341 AromaticContact CE1-CZ 3.6Å; F11-F341 HydrophobicContact CE1-CZ 3.6Å; F11-F341 AromaticContact CZ-CE1 3.71Å; F11-F341 HydrophobicContact CZ-CE1 3.71Å; F11-F341 HydrophobicContact CZ-CZ 4.16Å; E109-F341 HydrophobicContact CB-CD2 4.38Å; A112-F341 HydrophobicContact CB-CB 4.41Å; A112-F341 HydrophobicContact CB-CD1 3.85Å; A112-F341 HydrophobicContact CB-CE1 4.37Å; A112-F341 HydrophobicContact CB-CG 4.13Å; V113-F341 HydrophobicContact CG1-CE1 4.34Å; V113-F341 HydrophobicContact CG1-CE2 4.29Å; V113-F341 HydrophobicContact CG1-CZ 3.81Å; F337-F341 HydrophobicContact CD1-CE2 4.01Å; F337-F341 HydrophobicContact CE1-CD2 4.14Å; F337-F341 AromaticContact CE1-CE2 3.27Å; F337-F341 HydrophobicContact CE1-CE2 3.27Å; F337-F341 AromaticContact CE1-CZ 3.94Å; F337-F341 HydrophobicContact CE1-CZ 3.94Å; F337-F341 HydrophobicContact CZ-CE2 4.03Å; F337-F341 HydrophobicContact CZ-CZ 4.38Å; K339-F341 PolarHBondContact O-N 3.09Å
342R48.6Very low64.1Low209 Ų20999.4 Ų99.479%0.78949%0.487SS*.  trans-116.117.9175.1-80.3-168.4176.5-172.41.2114.7T340 K344T340-R342 VanDerWaalsContact C-N 3.3Å; T340-R342 PolarHBondContact O-N 2.84Å; R342-K344 PolarHBondContact O-N 2.92Å
343V53.3Low65.8Low103 Ų10394.5 Ų94.562%0.62446%0.46SS*.  trans-100.792.7177.9-173.30000109.7Y345V343-Y345 WeakPolarHBondContact CG1-O 3.49Å; V343-Y345 PolarHBondContact O-N 3.43Å
344K62.6Low67.7Low131 Ų13196.3 Ų96.357%0.5746%0.463SS*.SBendtrans-62.2-27.5177.5-170.5175.6-177.3172.80113.1R342R342-K344 PolarHBondContact O-N 2.92Å
345Y69.5Low70Confident36 Ų3687.8 Ų87.814%0.14142%0.423CS..  trans-139128175.2-58.5-72.2000110.5V343 V347 R436 N439 R442V343-Y345 WeakPolarHBondContact CG1-O 3.49Å; V343-Y345 PolarHBondContact O-N 3.43Å; Y345-V347 PolarHBondContact O-N 2.96Å; Y345-R436 PolarHBondContact OH-NH1 3.1Å; Y345-R436 PolarHBondContact OH-NH2 3.41Å; Y345-R436 VanDerWaalsContact OH-NH2 3.12Å; Y345-N439 VanDerWaalsContact CD1-O 3.23Å; Y345-N439 WeakPolarHBondContact CD1-O 3.49Å; Y345-N439 HydrophobicContact CE1-CB 4.47Å; Y345-N439 WeakPolarHBondContact CE1-O 3.4Å; Y345-R442 HydrophobicContact CD1-CG 4.24Å; Y345-R442 HydrophobicContact CD2-CG 4.02Å; Y345-R442 HydrophobicContact CE1-CG 3.99Å; Y345-R442 HydrophobicContact CE2-CG 3.73Å; Y345-R442 HydrophobicContact CG-CG 4.3Å
346N74.2Confident72.2Confident71 Ų7180.1 Ų80.138%0.3839%0.387SS..SBendtrans-71.9-16.1-178.5-69.1-14000113.8R140R140-N346 PolarHBondContact O-ND2 3.45Å
347V83.3Confident74.5Confident7 Ų777.4 Ų77.44%0.04237%0.365CS..SBendtrans-129.8147.1-174.5-79.70000112.7L139 R143 Y345 L351 Q352L139-V347 WeakPolarHBondContact O-CG2 3.48Å; R143-V347 HydrophobicContact CB-CG1 4.33Å; Y345-V347 PolarHBondContact O-N 2.96Å; V347-L351 HydrophobicContact CB-CD2 4.12Å; V347-L351 HydrophobicContact CG1-CD2 3.65Å; V347-Q352 HydrophobicContact CG2-CG 3.75Å; V347-Q352 PolarHBondContact O-NE2 3.26Å
348G87.4Confident76.8Confident42 Ų4279.5 Ų79.543%0.43337%0.371SS..  trans-68.9162.2-179.600000113.7W350 L351 Q352G348-W350 PolarHBondContact O-N 3.01Å; G348-L351 PolarHBondContact O-N 3.24Å; G348-Q352 PolarHBondContact O-N 3.17Å
349W91.6Very high79.2Confident83 Ų8376 Ų7631%0.31435%0.345SS..Hα-helixtrans-54.9-45.9-175.1-172.896.6000113.2L351 Q352 F353 D444 T445 L448W349-L351 PolarHBondContact O-N 3.22Å; W349-Q352 WeakPolarHBondContact O-CB 3.33Å; W349-Q352 PolarHBondContact O-N 2.81Å; W349-F353 HydrophobicContact CE3-CB 4.25Å; W349-F353 HydrophobicContact CH2-CB 4.23Å; W349-F353 HydrophobicContact CH2-CD2 4.17Å; W349-F353 HydrophobicContact CH2-CG 4.07Å; W349-F353 HydrophobicContact CZ3-CB 4.04Å; W349-F353 HydrophobicContact CZ3-CD1 4.49Å; W349-F353 HydrophobicContact CZ3-CG 4.16Å; W349-F353 WeakPolarHBondContact O-CB 3.35Å; W349-F353 PolarHBondContact O-N 2.92Å; W349-D444 PolarHBondContact NE1-OD2 2.85Å; W349-D444 VanDerWaalsContact NE1-OD2 3.14Å; W349-T445 HydrophobicContact CD2-CG2 4.11Å; W349-T445 HydrophobicContact CG-CG2 3.94Å; W349-T445 HydrophobicContact CZ2-CG2 4.47Å; W349-L448 HydrophobicContact CZ2-CD1 3.96Å
350W93.2Very high81.5Confident194 Ų19468.2 Ų68.274%0.73531%0.312SS*.Hα-helixtrans-63.3-40.4-178.6-77.4114.9000113.8G348 F353 R354G348-W350 PolarHBondContact O-N 3.01Å; W350-F353 HydrophobicContact CE3-CD1 4.36Å; W350-F353 HydrophobicContact CZ3-CD1 4.33Å; W350-F353 PolarHBondContact O-N 2.85Å; W350-R354 VanDerWaalsContact O-CB 3.31Å; W350-R354 WeakPolarHBondContact O-CB 3.35Å; W350-R354 PolarHBondContact O-N 3.29Å
351L92.1Very high83.7Confident39 Ų3968.2 Ų68.220%0.20430%0.3CS..Hα-helixtrans-69-38.4178.2-178.158.3000111V347 G348 W349 T355V347-L351 HydrophobicContact CB-CD2 4.12Å; V347-L351 HydrophobicContact CG1-CD2 3.65Å; G348-L351 PolarHBondContact O-N 3.24Å; W349-L351 PolarHBondContact O-N 3.22Å; L351-T355 VanDerWaalsContact O-CB 3.26Å; L351-T355 WeakPolarHBondContact O-CB 3.48Å; L351-T355 PolarHBondContact O-N 3.39Å; L351-T355 PolarHBondContact O-OG1 3.5Å
352Q94.2Very high85.8Confident1 Ų166.4 Ų66.41%0.00529%0.293CS..Hα-helixtrans-61.4-51.9172.9-66.8-17433.700110.8L139 V347 G348 W349 R354 T355 L356 R442 T445L139-Q352 HydrophobicContact CD2-CB 4.22Å; L139-Q352 HydrophobicContact CD2-CG 4.14Å; V347-Q352 HydrophobicContact CG2-CG 3.75Å; V347-Q352 PolarHBondContact O-NE2 3.26Å; G348-Q352 PolarHBondContact O-N 3.17Å; W349-Q352 WeakPolarHBondContact O-CB 3.33Å; W349-Q352 PolarHBondContact O-N 2.81Å; Q352-R354 PolarHBondContact O-N 3.41Å; Q352-T355 PolarHBondContact O-N 3.39Å; Q352-L356 WeakPolarHBondContact O-CB 3.44Å; Q352-L356 VanDerWaalsContact O-CG 3.27Å; Q352-L356 WeakPolarHBondContact O-CG 3.49Å; Q352-L356 PolarHBondContact O-N 2.94Å; Q352-R442 VanDerWaalsContact OE1-CG 3.31Å; Q352-R442 VanDerWaalsContact OE1-N 3.1Å; Q352-T445 HydrophobicContact CB-CG2 4.03Å
353F96Very high87.7Confident30 Ų3057.4 Ų57.413%0.13226%0.261CS..Hα-helixtrans-58.1-50.7179.3176.3-98.6000112W349 W350 T355 L356 F357 T445 L448 L452W349-F353 HydrophobicContact CE3-CB 4.25Å; W349-F353 HydrophobicContact CH2-CB 4.23Å; W349-F353 HydrophobicContact CH2-CD2 4.17Å; W349-F353 HydrophobicContact CH2-CG 4.07Å; W349-F353 HydrophobicContact CZ3-CB 4.04Å; W349-F353 HydrophobicContact CZ3-CD1 4.49Å; W349-F353 HydrophobicContact CZ3-CG 4.16Å; W349-F353 WeakPolarHBondContact O-CB 3.35Å; W349-F353 PolarHBondContact O-N 2.92Å; W350-F353 HydrophobicContact CE3-CD1 4.36Å; W350-F353 HydrophobicContact CZ3-CD1 4.33Å; W350-F353 PolarHBondContact O-N 2.85Å; F353-T355 VanDerWaalsContact C-N 3.3Å; F353-T355 PolarHBondContact O-N 2.79Å; F353-L356 PolarHBondContact O-N 2.95Å; F353-F357 HydrophobicContact CZ-CD2 4.05Å; F353-F357 WeakPolarHBondContact O-CB 3.28Å; F353-F357 PolarHBondContact O-N 3.39Å; F353-T445 HydrophobicContact CB-CG2 4.37Å; F353-L448 HydrophobicContact CD2-CB 4.4Å; F353-L448 HydrophobicContact CE2-CB 4.01Å; F353-L452 HydrophobicContact CE2-CD1 3.87Å; F353-L452 HydrophobicContact CZ-CD1 3.56Å
354R95.9Very high89.3Confident127 Ų12753.3 Ų53.348%0.47924%0.237SC..Hα-helixtrans-58.7-42.3179-171.5-177.179108.6-4.8112D147 W350 Q352 W358D147-R354 IonicContact OD2-NH2 3.83Å; W350-R354 VanDerWaalsContact O-CB 3.31Å; W350-R354 WeakPolarHBondContact O-CB 3.35Å; W350-R354 PolarHBondContact O-N 3.29Å; Q352-R354 PolarHBondContact O-N 3.41Å; R354-W358 WeakPolarHBondContact O-CB 3.44Å; R354-W358 PolarHBondContact O-N 2.75Å
355T95.7Very high90.5Very high0 Ų050.6 Ų50.60%023%0.231CC..Hα-helixtrans-69.5-43.5-178.7-570000111.4I135 R138 L139 L351 Q352 F353 W358 R359I135-T355 HydrophobicContact CB-CG2 4.38Å; I135-T355 HydrophobicContact CG1-CG2 4.34Å; I135-T355 HydrophobicContact CG2-CG2 4Å; R138-T355 HydrophobicContact CB-CG2 3.92Å; L139-T355 HydrophobicContact CD1-CG2 4.44Å; L139-T355 HydrophobicContact CD2-CG2 4.09Å; L139-T355 HydrophobicContact CG-CG2 3.99Å; L351-T355 VanDerWaalsContact O-CB 3.26Å; L351-T355 WeakPolarHBondContact O-CB 3.48Å; L351-T355 PolarHBondContact O-N 3.39Å; L351-T355 PolarHBondContact O-OG1 3.5Å; Q352-T355 PolarHBondContact O-N 3.39Å; F353-T355 VanDerWaalsContact C-N 3.3Å; F353-T355 PolarHBondContact O-N 2.79Å; T355-W358 PolarHBondContact O-N 3.12Å; T355-R359 WeakPolarHBondContact O-CB 3.36Å; T355-R359 PolarHBondContact O-N 3.05Å
356L95.8Very high91.4Very high1 Ų153.6 Ų53.61%0.00524%0.242CC..Hα-helixtrans-70.6-36177.9-66.4171.7000112.1L139 Q352 F353 R359 S360 C441 S449L139-L356 HydrophobicContact CD1-CD2 3.95Å; L139-L356 HydrophobicContact CD2-CG 4.45Å; Q352-L356 WeakPolarHBondContact O-CB 3.44Å; Q352-L356 VanDerWaalsContact O-CG 3.27Å; Q352-L356 WeakPolarHBondContact O-CG 3.49Å; Q352-L356 PolarHBondContact O-N 2.94Å; F353-L356 PolarHBondContact O-N 2.95Å; L356-R359 WeakPolarHBondContact O-CB 3.24Å; L356-R359 PolarHBondContact O-N 2.8Å; L356-S360 WeakPolarHBondContact O-CB 3.48Å; L356-S360 PolarHBondContact O-N 3.38Å; L356-C441 HydrophobicContact CD1-CB 4.02Å; L356-S449 WeakPolarHBondContact CB-OG 3.42Å
357F96.4Very high91.7Very high73 Ų7351.4 Ų51.432%0.3223%0.23SC..Hα-helixtrans-61.6-49.1172.9-175-82.9000110.4F353 R359 S360 Y361 L452 V453F353-F357 HydrophobicContact CZ-CD2 4.05Å; F353-F357 WeakPolarHBondContact O-CB 3.28Å; F353-F357 PolarHBondContact O-N 3.39Å; F357-R359 VanDerWaalsContact C-N 3.34Å; F357-R359 PolarHBondContact O-N 3.4Å; F357-S360 PolarHBondContact O-N 2.98Å; F357-Y361 WeakPolarHBondContact O-CB 3.28Å; F357-Y361 PolarHBondContact O-N 2.94Å; F357-L452 HydrophobicContact CD2-CB 4.31Å; F357-L452 HydrophobicContact CE2-CB 3.85Å; F357-V453 HydrophobicContact CD1-CG2 4.12Å; F357-V453 HydrophobicContact CD2-CG2 3.57Å; F357-V453 HydrophobicContact CE1-CG2 4.03Å; F357-V453 HydrophobicContact CE2-CG2 3.48Å; F357-V453 VanDerWaalsContact CE2-CG2 3.48Å; F357-V453 HydrophobicContact CG-CG2 3.89Å; F357-V453 HydrophobicContact CZ-CG2 3.72Å; F357-V453 WeakPolarHBondContact O-CG2 3.38Å
358W96.3Very high91.2Very high121 Ų12153.9 Ų53.946%0.45825%0.247SC..Hα-helixtrans-59-44.3175.4179.9-109.8000112.3R354 T355 Y361 L362R354-W358 WeakPolarHBondContact O-CB 3.44Å; R354-W358 PolarHBondContact O-N 2.75Å; T355-W358 PolarHBondContact O-N 3.12Å; W358-Y361 HydrophobicContact CE3-CD1 4.06Å; W358-Y361 HydrophobicContact CH2-CD1 4.5Å; W358-Y361 AromaticContact CZ3-CD1 3.83Å; W358-Y361 HydrophobicContact CZ3-CD1 3.83Å; W358-Y361 HydrophobicContact CZ3-CE1 4.03Å; W358-Y361 PolarHBondContact O-N 3.34Å; W358-L362 HydrophobicContact CD2-CD1 4.48Å; W358-L362 HydrophobicContact CD2-CG 4.38Å; W358-L362 HydrophobicContact CH2-CD2 4.26Å; W358-L362 HydrophobicContact CZ2-CD1 4.09Å; W358-L362 HydrophobicContact CZ2-CD2 3.85Å; W358-L362 HydrophobicContact CZ2-CG 4.06Å; W358-L362 VanDerWaalsContact NE1-CD1 3.33Å; W358-L362 WeakPolarHBondContact O-CG 3.47Å; W358-L362 PolarHBondContact O-N 2.9Å
359R95.2Very high90.9Very high4 Ų456.5 Ų56.52%0.01525%0.251CS..Hα-helixtrans-57.9-52175-177.5179.985.81773.3111.6I124 L127 I135 T355 L356 F357 Y361 L362 T363 E428 E435I124-R359 HydrophobicContact CD1-CG 4.02Å; L127-R359 HydrophobicContact CD1-CG 3.96Å; I135-R359 HydrophobicContact CD1-CB 3.88Å; I135-R359 HydrophobicContact CD1-CG 3.87Å; T355-R359 WeakPolarHBondContact O-CB 3.36Å; T355-R359 PolarHBondContact O-N 3.05Å; L356-R359 WeakPolarHBondContact O-CB 3.24Å; L356-R359 PolarHBondContact O-N 2.8Å; F357-R359 VanDerWaalsContact C-N 3.34Å; F357-R359 PolarHBondContact O-N 3.4Å; R359-Y361 VanDerWaalsContact C-N 3.3Å; R359-Y361 PolarHBondContact O-N 3.4Å; R359-L362 PolarHBondContact O-N 3.25Å; R359-T363 PolarHBondContact O-N 3.47Å; R359-T363 PolarHBondContact O-OG1 2.81Å; R359-E428 IonicContact NH2-OE1 2.76Å; R359-E435 IonicContact CZ-OE2 3.44Å; R359-E435 VanDerWaalsContact NH1-CD 3.26Å; R359-E435 IonicContact NH1-OE1 3.31Å; R359-E435 PolarHBondContact NH1-OE1 3.03Å; R359-E435 IonicContact NH1-OE2 2.88Å; R359-E435 PolarHBondContact NH1-OE2 2.71Å; R359-E435 IonicContact NH2-OE2 2.63Å
360S93.5Very high90.2Very high2 Ų254.7 Ų54.71%0.01425%0.247CC..Hα-helixtrans-62.1-40.6-179.1-174.30000110.9L356 F357 T363 S364 K450L356-S360 WeakPolarHBondContact O-CB 3.48Å; L356-S360 PolarHBondContact O-N 3.38Å; F357-S360 PolarHBondContact O-N 2.98Å; S360-T363 PolarHBondContact O-N 3.03Å; S360-S364 WeakPolarHBondContact O-CB 3.24Å; S360-S364 PolarHBondContact O-N 3.28Å; S360-S364 PolarHBondContact O-OG 3.41Å; S360-S364 VanDerWaalsContact O-OG 3.14Å; S360-K450 WeakPolarHBondContact OG-CD 3.42Å
361Y93.5Very high89.7Confident108 Ų10847.5 Ų47.542%0.42422%0.222SC..Hα-helixtrans-59.9-50.1176172.8-101.7000112F357 W358 R359 T363 S364 V365F357-Y361 WeakPolarHBondContact O-CB 3.28Å; F357-Y361 PolarHBondContact O-N 2.94Å; W358-Y361 HydrophobicContact CE3-CD1 4.06Å; W358-Y361 HydrophobicContact CH2-CD1 4.5Å; W358-Y361 AromaticContact CZ3-CD1 3.83Å; W358-Y361 HydrophobicContact CZ3-CD1 3.83Å; W358-Y361 HydrophobicContact CZ3-CE1 4.03Å; W358-Y361 PolarHBondContact O-N 3.34Å; R359-Y361 VanDerWaalsContact C-N 3.3Å; R359-Y361 PolarHBondContact O-N 3.4Å; Y361-T363 VanDerWaalsContact C-N 3.33Å; Y361-T363 PolarHBondContact O-N 3.23Å; Y361-S364 PolarHBondContact O-N 3.09Å; Y361-V365 HydrophobicContact CD2-CG2 4.11Å; Y361-V365 HydrophobicContact CE1-CG2 4.29Å; Y361-V365 HydrophobicContact CE2-CG2 3.67Å; Y361-V365 WeakPolarHBondContact O-CG2 3.2Å; Y361-V365 PolarHBondContact O-N 3.38Å
362L92.9Very high89.4Confident13 Ų1353 Ų537%0.06824%0.24CC..Hα-helixtrans-58.6-45.8176.6-74.2178.9000111.8L127 W358 R359 S364 V365 R366L127-L362 HydrophobicContact CD2-CB 4.09Å; L127-L362 HydrophobicContact CD2-CD1 4.31Å; W358-L362 HydrophobicContact CD2-CD1 4.48Å; W358-L362 HydrophobicContact CD2-CG 4.38Å; W358-L362 HydrophobicContact CH2-CD2 4.26Å; W358-L362 HydrophobicContact CZ2-CD1 4.09Å; W358-L362 HydrophobicContact CZ2-CD2 3.85Å; W358-L362 HydrophobicContact CZ2-CG 4.06Å; W358-L362 VanDerWaalsContact NE1-CD1 3.33Å; W358-L362 WeakPolarHBondContact O-CG 3.47Å; W358-L362 PolarHBondContact O-N 2.9Å; R359-L362 PolarHBondContact O-N 3.25Å; L362-S364 VanDerWaalsContact C-N 3.33Å; L362-S364 PolarHBondContact O-N 2.73Å; L362-V365 PolarHBondContact O-N 3.18Å; L362-R366 VanDerWaalsContact O-CB 3.24Å; L362-R366 WeakPolarHBondContact O-CB 3.44Å; L362-R366 WeakPolarHBondContact O-CG 3.42Å; L362-R366 PolarHBondContact O-N 2.94Å
363T89.3Confident89.1Confident20 Ų2056.2 Ų56.212%0.12326%0.257CS..Hα-helixtrans-58.9-45.5178.1-58.70000111.4I124 R359 S360 Y361 D367I124-T363 HydrophobicContact CG2-CG2 3.82Å; I124-T363 WeakPolarHBondContact CG2-OG1 3.34Å; R359-T363 PolarHBondContact O-N 3.47Å; R359-T363 PolarHBondContact O-OG1 2.81Å; S360-T363 PolarHBondContact O-N 3.03Å; Y361-T363 VanDerWaalsContact C-N 3.33Å; Y361-T363 PolarHBondContact O-N 3.23Å; T363-D367 PolarHBondContact O-N 3.35Å
364S87.4Confident88.6Confident16 Ų1656.4 Ų56.411%0.11226%0.257CS..Hα-helixtrans-66.4-44.2-179.5-670000112S360 Y361 L362 L371S360-S364 WeakPolarHBondContact O-CB 3.24Å; S360-S364 PolarHBondContact O-N 3.28Å; S360-S364 PolarHBondContact O-OG 3.41Å; S360-S364 VanDerWaalsContact O-OG 3.14Å; Y361-S364 PolarHBondContact O-N 3.09Å; L362-S364 VanDerWaalsContact C-N 3.33Å; L362-S364 PolarHBondContact O-N 2.73Å; S364-L371 WeakPolarHBondContact O-CD1 3.33Å
365V87.5Confident88.2Confident75 Ų7553.8 Ų53.846%0.45525%0.252SS..Hα-helixtrans-71.9-35.5-178.6173.30000112.4Y361 L362 D367Y361-V365 HydrophobicContact CD2-CG2 4.11Å; Y361-V365 HydrophobicContact CE1-CG2 4.29Å; Y361-V365 HydrophobicContact CE2-CG2 3.67Å; Y361-V365 WeakPolarHBondContact O-CG2 3.2Å; Y361-V365 PolarHBondContact O-N 3.38Å; L362-V365 PolarHBondContact O-N 3.18Å; V365-D367 VanDerWaalsContact C-N 3.28Å; V365-D367 PolarHBondContact O-N 3.37Å
366R88.1Confident88Confident99 Ų9960.6 Ų60.637%0.37428%0.278SS..THydrogen-bonded Turntrans-86.59-176.7-67.4-176175.8171.44.7114.7E131 L362 P368E131-R366 IonicContact OE1-CZ 3.94Å; E131-R366 IonicContact OE1-NH1 3.04Å; E131-R366 PolarHBondContact OE1-NH1 3.5Å; E131-R366 IonicContact OE1-NH2 2.89Å; E131-R366 PolarHBondContact OE1-NH2 2.86Å; E131-R366 IonicContact OE2-CZ 3.4Å; E131-R366 IonicContact OE2-NH1 3.54Å; E131-R366 PolarHBondContact OE2-NH1 2.96Å; E131-R366 IonicContact OE2-NH2 3.61Å; L362-R366 VanDerWaalsContact O-CB 3.24Å; L362-R366 WeakPolarHBondContact O-CB 3.44Å; L362-R366 WeakPolarHBondContact O-CG 3.42Å; L362-R366 PolarHBondContact O-N 2.94Å; R366-P368 WeakPolarHBondContact O-CD 3.22Å
367D80.3Confident87.8Confident24 Ų2465.4 Ų65.413%0.12830%0.301CS..  trans-104.667.9167.6-164.6-1.5000111T126 R176 T363 V365 L369 L370 L371T126-D367 HydrophobicContact CG2-CB 4.45Å; R176-D367 IonicContact CZ-OD1 3.93Å; R176-D367 IonicContact CZ-OD2 3.22Å; R176-D367 VanDerWaalsContact CZ-OD2 3.31Å; R176-D367 IonicContact NH1-OD2 3.6Å; R176-D367 PolarHBondContact NH1-OD2 2.79Å; R176-D367 IonicContact NH2-OD1 3.19Å; R176-D367 PolarHBondContact NH2-OD1 2.88Å; R176-D367 IonicContact NH2-OD2 2.79Å; R176-D367 PolarHBondContact NH2-OD2 3.01Å; T363-D367 PolarHBondContact O-N 3.35Å; V365-D367 VanDerWaalsContact C-N 3.28Å; V365-D367 PolarHBondContact O-N 3.37Å; D367-L369 PolarHBondContact O-N 3.05Å; D367-L370 PolarHBondContact O-N 2.77Å; D367-L370 VanDerWaalsContact OD2-CD1 3.24Å; D367-L370 WeakPolarHBondContact OD2-CD1 3.48Å; D367-L371 PolarHBondContact O-N 2.91Å
368P72.8Confident87.6Confident59 Ų5963 Ų6338%0.38329%0.292SS..Hα-helixtrans-65.8-24.9-171.629-37000112R366 R372R366-P368 WeakPolarHBondContact O-CD 3.22Å; P368-R372 WeakPolarHBondContact O-CB 3.45Å; P368-R372 WeakPolarHBondContact O-CD 3.45Å; P368-R372 WeakPolarHBondContact O-CG 3.44Å; P368-R372 PolarHBondContact O-N 3.2Å
369L80.3Confident87.6Confident98 Ų9860 Ų6051%0.51329%0.286SS..Hα-helixtrans-65.9-53.5-179.2-176.965.4000110.4D367 L371 R372 I373D367-L369 PolarHBondContact O-N 3.05Å; L369-L371 PolarHBondContact O-N 2.7Å; L369-R372 PolarHBondContact O-N 3.39Å; L369-I373 HydrophobicContact CD1-CD1 3.74Å; L369-I373 HydrophobicContact CD1-CG1 4.26Å; L369-I373 HydrophobicContact CG-CD1 3.77Å; L369-I373 WeakPolarHBondContact O-CB 3.36Å; L369-I373 WeakPolarHBondContact O-CG1 3.24Å; L369-I373 PolarHBondContact O-N 3Å
370L78.1Confident87.7Confident45 Ų4564.4 Ų64.424%0.23631%0.309CS..Hα-helixtrans-64.2-41.6178.6-70.3-173000111.6D367 R374D367-L370 PolarHBondContact O-N 2.77Å; D367-L370 VanDerWaalsContact OD2-CD1 3.24Å; D367-L370 WeakPolarHBondContact OD2-CD1 3.48Å; L370-R374 WeakPolarHBondContact O-CB 3.5Å; L370-R374 VanDerWaalsContact O-CG 3.28Å; L370-R374 WeakPolarHBondContact O-CG 2.97Å; L370-R374 PolarHBondContact O-N 3.06Å
371L82.8Confident87.7Confident42 Ų4267.5 Ų67.522%0.2233%0.325CS..Hα-helixtrans-62.3-44.8177-72.9-178.5000112.7S364 D367 L369 L375 Y461S364-L371 WeakPolarHBondContact O-CD1 3.33Å; D367-L371 PolarHBondContact O-N 2.91Å; L369-L371 PolarHBondContact O-N 2.7Å; L371-L375 WeakPolarHBondContact O-CB 3.32Å; L371-L375 PolarHBondContact O-N 3.45Å; L371-Y461 WeakPolarHBondContact CD2-OH 3.17Å; L371-Y461 PolarHBondContact O-OH 3.24Å
372R85.7Confident87.9Confident154 Ų15462.3 Ų62.358%0.58131%0.305SS*.Hα-helixtrans-68.4-44.5179.9-72.9169.9-174.3-179.71.5111.5P368 L369 R374 L375 Y376P368-R372 WeakPolarHBondContact O-CB 3.45Å; P368-R372 WeakPolarHBondContact O-CD 3.45Å; P368-R372 WeakPolarHBondContact O-CG 3.44Å; P368-R372 PolarHBondContact O-N 3.2Å; L369-R372 PolarHBondContact O-N 3.39Å; R372-R374 VanDerWaalsContact C-N 3.32Å; R372-R374 PolarHBondContact O-N 3.42Å; R372-L375 PolarHBondContact O-N 3.42Å; R372-Y376 HydrophobicContact CB-CD2 4.4Å; R372-Y376 HydrophobicContact CB-CE2 4.06Å; R372-Y376 WeakPolarHBondContact O-CD2 3.36Å; R372-Y376 VanDerWaalsContact O-CG 3.31Å; R372-Y376 PolarHBondContact O-N 3.41Å
373I86.8Confident88.1Confident69 Ų6963.9 Ų63.935%0.35431%0.314SS..Hα-helixtrans-59.1-46.7177.4-70.8170.1000110.1L369 L375 Y376 Q377L369-I373 HydrophobicContact CD1-CD1 3.74Å; L369-I373 HydrophobicContact CD1-CG1 4.26Å; L369-I373 HydrophobicContact CG-CD1 3.77Å; L369-I373 WeakPolarHBondContact O-CB 3.36Å; L369-I373 WeakPolarHBondContact O-CG1 3.24Å; L369-I373 PolarHBondContact O-N 3Å; I373-L375 PolarHBondContact O-N 2.89Å; I373-Y376 PolarHBondContact O-N 3.49Å; I373-Q377 HydrophobicContact CG2-CG 4.35Å; I373-Q377 WeakPolarHBondContact O-CB 3.3Å; I373-Q377 VanDerWaalsContact O-CG 3.3Å; I373-Q377 WeakPolarHBondContact O-CG 3.33Å; I373-Q377 PolarHBondContact O-N 3.44Å
374R85.7Confident88.4Confident35 Ų3567.9 Ų67.913%0.13233%0.334CS..Hα-helixtrans-62.9-41.8177.6-73.1178.7-176.4-173.30.6112.1L370 R372 Q377 N378 G420 E423 Y461L370-R374 WeakPolarHBondContact O-CB 3.5Å; L370-R374 VanDerWaalsContact O-CG 3.28Å; L370-R374 WeakPolarHBondContact O-CG 2.97Å; L370-R374 PolarHBondContact O-N 3.06Å; R372-R374 VanDerWaalsContact C-N 3.32Å; R372-R374 PolarHBondContact O-N 3.42Å; R374-Q377 PolarHBondContact O-N 3.15Å; R374-N378 WeakPolarHBondContact O-CB 3.26Å; R374-N378 PolarHBondContact O-N 3.02Å; R374-N378 PolarHBondContact O-ND2 3.14Å; R374-G420 VanDerWaalsContact NH2-CA 3.32Å; R374-G420 PolarHBondContact NH2-O 3.19Å; R374-E423 IonicContact NH2-OE2 3.21Å; R374-Y461 HydrophobicContact CB-CE2 4.09Å
375L87.8Confident88.8Confident72 Ų7267.8 Ų67.838%0.37733%0.332SS..Hα-helixtrans-62.1-47.2176-175.167.6000111.3L371 R372 I373 Q377 N378 V379 Y461L371-L375 WeakPolarHBondContact O-CB 3.32Å; L371-L375 PolarHBondContact O-N 3.45Å; R372-L375 PolarHBondContact O-N 3.42Å; I373-L375 PolarHBondContact O-N 2.89Å; L375-Q377 PolarHBondContact O-N 3.23Å; L375-N378 CarbonylContact O-C 3.54Å; L375-N378 PolarHBondContact O-N 3.4Å; L375-V379 WeakPolarHBondContact O-CG2 3.28Å; L375-V379 PolarHBondContact O-N 2.95Å; L375-Y461 HydrophobicContact CB-CE1 4.29Å; L375-Y461 HydrophobicContact CD1-CD1 4.34Å; L375-Y461 HydrophobicContact CD1-CE1 4.11Å
376Y91.7Very high89.2Confident142 Ų14264.2 Ų64.256%0.55731%0.311SS*.Hα-helixtrans-62.7-42.6177.9-66.8-42.9000112.3R372 I373 N378 V379 I380R372-Y376 HydrophobicContact CB-CD2 4.4Å; R372-Y376 HydrophobicContact CB-CE2 4.06Å; R372-Y376 WeakPolarHBondContact O-CD2 3.36Å; R372-Y376 VanDerWaalsContact O-CG 3.31Å; R372-Y376 PolarHBondContact O-N 3.41Å; I373-Y376 PolarHBondContact O-N 3.49Å; Y376-N378 VanDerWaalsContact C-N 3.3Å; Y376-N378 PolarHBondContact O-N 2.88Å; Y376-V379 PolarHBondContact O-N 3.42Å; Y376-V379 VanDerWaalsContact O-N 3.08Å; Y376-I380 WeakPolarHBondContact O-CB 3.38Å; Y376-I380 VanDerWaalsContact O-CG1 3.3Å; Y376-I380 WeakPolarHBondContact O-CG1 3.4Å; Y376-I380 PolarHBondContact O-N 3.36Å
377Q91.6Very high89.5Confident103 Ų10365.4 Ų65.448%0.48132%0.322SS..Hα-helixtrans-59.5-41.9174.4-74.8174.1-15.400111.7I373 R374 L375 V379 I381I373-Q377 HydrophobicContact CG2-CG 4.35Å; I373-Q377 WeakPolarHBondContact O-CB 3.3Å; I373-Q377 VanDerWaalsContact O-CG 3.3Å; I373-Q377 WeakPolarHBondContact O-CG 3.33Å; I373-Q377 PolarHBondContact O-N 3.44Å; R374-Q377 PolarHBondContact O-N 3.15Å; L375-Q377 PolarHBondContact O-N 3.23Å; Q377-V379 PolarHBondContact O-N 3.14Å; Q377-I381 HydrophobicContact CB-CD1 4.44Å; Q377-I381 WeakPolarHBondContact O-CB 3.41Å; Q377-I381 WeakPolarHBondContact O-CG1 3.33Å; Q377-I381 PolarHBondContact O-N 3.26Å
378N92.2Very high90.1Very high23 Ų2370.3 Ų70.312%0.12335%0.347CS..Hα-helixtrans-75.24.1176.9-77.3-83.6000114.4R374 L375 Y376 P382R374-N378 WeakPolarHBondContact O-CB 3.26Å; R374-N378 PolarHBondContact O-N 3.02Å; R374-N378 PolarHBondContact O-ND2 3.14Å; L375-N378 CarbonylContact O-C 3.54Å; L375-N378 PolarHBondContact O-N 3.4Å; Y376-N378 VanDerWaalsContact C-N 3.3Å; Y376-N378 PolarHBondContact O-N 2.88Å; N378-P382 WeakPolarHBondContact O-CG 3.4Å
379V96.1Very high91Very high56 Ų5670.2 Ų70.234%0.33934%0.34SS..Hα-helixtrans-114.5-47.3170.4173.10000110.6L375 Y376 Q377 P382 V383 V464 I468L375-V379 WeakPolarHBondContact O-CG2 3.28Å; L375-V379 PolarHBondContact O-N 2.95Å; Y376-V379 PolarHBondContact O-N 3.42Å; Y376-V379 VanDerWaalsContact O-N 3.08Å; Q377-V379 PolarHBondContact O-N 3.14Å; V379-P382 VanDerWaalsContact O-CD 3.31Å; V379-P382 WeakPolarHBondContact O-CD 3.34Å; V379-P382 WeakPolarHBondContact O-CG 3.34Å; V379-V383 WeakPolarHBondContact O-CB 3.33Å; V379-V383 WeakPolarHBondContact O-CG2 3.34Å; V379-V383 PolarHBondContact O-N 2.93Å; V379-V383 VanDerWaalsContact O-N 3.13Å; V379-V464 HydrophobicContact CG2-CG1 3.98Å; V379-I468 HydrophobicContact CB-CD1 4.5Å; V379-I468 HydrophobicContact CG1-CD1 4.35Å; V379-I468 HydrophobicContact CG2-CD1 4.37Å
380I96.6Very high91.5Very high97 Ų9773 Ų7350%0.49734%0.344SS..Hα-helixtrans-66.1-50.6-175.7-65.8167.8000111.4Y376 V383 I384Y376-I380 WeakPolarHBondContact O-CB 3.38Å; Y376-I380 VanDerWaalsContact O-CG1 3.3Å; Y376-I380 WeakPolarHBondContact O-CG1 3.4Å; Y376-I380 PolarHBondContact O-N 3.36Å; I380-V383 PolarHBondContact O-N 2.94Å; I380-I384 HydrophobicContact CG2-CD1 3.89Å; I380-I384 WeakPolarHBondContact O-CG1 3.36Å; I380-I384 PolarHBondContact O-N 3.4Å
381I94.7Very high91.9Very high67 Ų6779.2 Ų79.234%0.34436%0.364SS..Hα-helixtrans-59.2-51.4-179.2-63173.6000111.7Q377 V383 I384 I385 F465Q377-I381 HydrophobicContact CB-CD1 4.44Å; Q377-I381 WeakPolarHBondContact O-CB 3.41Å; Q377-I381 WeakPolarHBondContact O-CG1 3.33Å; Q377-I381 PolarHBondContact O-N 3.26Å; I381-V383 VanDerWaalsContact C-N 3.3Å; I381-V383 PolarHBondContact O-N 3.45Å; I381-I384 PolarHBondContact O-N 2.72Å; I381-I385 HydrophobicContact CG2-CD1 3.81Å; I381-I385 HydrophobicContact CG2-CG1 4.47Å; I381-I385 WeakPolarHBondContact O-CG1 3.47Å; I381-I385 PolarHBondContact O-N 3.44Å; I381-F465 HydrophobicContact CB-CE2 4.2Å; I381-F465 HydrophobicContact CG2-CE2 3.91Å; I381-F465 HydrophobicContact CG2-CZ 4.17Å
382P96.8Very high91.7Very high0 Ų077.8 Ų77.80%036%0.358CS..Hα-helixtrans-68-27.6-179.625.8-33.4000113.2N378 V379 I385 G386 F465 I468 V469N378-P382 WeakPolarHBondContact O-CG 3.4Å; V379-P382 VanDerWaalsContact O-CD 3.31Å; V379-P382 WeakPolarHBondContact O-CD 3.34Å; V379-P382 WeakPolarHBondContact O-CG 3.34Å; P382-I385 PolarHBondContact O-N 3.39Å; P382-G386 PolarHBondContact O-N 3.43Å; P382-F465 HydrophobicContact CB-CD1 4.15Å; P382-F465 HydrophobicContact CB-CD2 3.88Å; P382-F465 HydrophobicContact CB-CE1 4.18Å; P382-F465 HydrophobicContact CB-CE2 3.93Å; P382-F465 HydrophobicContact CB-CG 3.99Å; P382-F465 HydrophobicContact CB-CZ 4.07Å; P382-F465 HydrophobicContact CG-CB 4.5Å; P382-F465 HydrophobicContact CG-CD2 3.65Å; P382-F465 HydrophobicContact CG-CE2 3.96Å; P382-F465 HydrophobicContact CG-CG 4.04Å; P382-I468 HydrophobicContact CB-CB 4.04Å; P382-I468 HydrophobicContact CB-CG2 3.88Å; P382-I468 HydrophobicContact CG-CB 4.31Å; P382-I468 HydrophobicContact CG-CD1 4.11Å; P382-I468 HydrophobicContact CG-CG2 4.25Å; P382-V469 HydrophobicContact CB-CG2 3.37Å
383V97.5Very high91.1Very high45 Ų4573.8 Ų73.827%0.27335%0.351SS..Hα-helixtrans-65.1-44.5170.7167.60000111V379 I380 I381 I385 G386 M387 I468 M472V379-V383 WeakPolarHBondContact O-CB 3.33Å; V379-V383 WeakPolarHBondContact O-CG2 3.34Å; V379-V383 PolarHBondContact O-N 2.93Å; V379-V383 VanDerWaalsContact O-N 3.13Å; I380-V383 PolarHBondContact O-N 2.94Å; I381-V383 VanDerWaalsContact C-N 3.3Å; I381-V383 PolarHBondContact O-N 3.45Å; V383-I385 VanDerWaalsContact C-N 3.34Å; V383-I385 PolarHBondContact O-N 2.88Å; V383-G386 PolarHBondContact O-N 2.87Å; V383-M387 HydrophobicContact CG1-CE 3.69Å; V383-M387 HydrophobicContact CG1-CG 4.48Å; V383-M387 HydrophobicContact CG1-SD 4.16Å; V383-M387 WeakPolarHBondContact O-CG 3Å; V383-M387 PolarHBondContact O-N 3.19Å; V383-I468 HydrophobicContact CG2-CG2 3.84Å; V383-M472 HydrophobicContact CG1-CE 4.31Å; V383-M472 HydrophobicContact CG2-SD 4.36Å
384I96.5Very high90.4Very high104 Ų10473.6 Ų73.653%0.53335%0.347SS..Hα-helixtrans-61-45.3176.2-67.1167.4000110.5I380 I381 G386 M387 L388I380-I384 HydrophobicContact CG2-CD1 3.89Å; I380-I384 WeakPolarHBondContact O-CG1 3.36Å; I380-I384 PolarHBondContact O-N 3.4Å; I381-I384 PolarHBondContact O-N 2.72Å; I384-G386 VanDerWaalsContact C-N 3.34Å; I384-G386 PolarHBondContact O-N 2.83Å; I384-M387 PolarHBondContact O-N 2.94Å; I384-L388 WeakPolarHBondContact O-CB 3.44Å; I384-L388 PolarHBondContact O-N 2.63Å
385I95.3Very high89.7Confident15 Ų1577 Ų778%0.07737%0.365CS..Hα-helixtrans-60.7-45.5175.8-65.7168.2000110.5I381 P382 V383 M387 L388 Y389 L408 F465 V469I381-I385 HydrophobicContact CG2-CD1 3.81Å; I381-I385 HydrophobicContact CG2-CG1 4.47Å; I381-I385 WeakPolarHBondContact O-CG1 3.47Å; I381-I385 PolarHBondContact O-N 3.44Å; P382-I385 PolarHBondContact O-N 3.39Å; V383-I385 VanDerWaalsContact C-N 3.34Å; V383-I385 PolarHBondContact O-N 2.88Å; I385-M387 VanDerWaalsContact C-N 3.32Å; I385-M387 PolarHBondContact O-N 2.94Å; I385-L388 PolarHBondContact O-N 3.26Å; I385-Y389 HydrophobicContact CG2-CD2 4.09Å; I385-Y389 WeakPolarHBondContact O-CD2 3.28Å; I385-Y389 PolarHBondContact O-N 2.94Å; I385-L408 HydrophobicContact CB-CD2 4.37Å; I385-L408 HydrophobicContact CD1-CD2 3.48Å; I385-L408 VanDerWaalsContact CD1-CD2 3.48Å; I385-L408 HydrophobicContact CD1-CG 3.96Å; I385-L408 HydrophobicContact CG1-CD2 3.66Å; I385-L408 HydrophobicContact CG2-CD2 3.78Å; I385-F465 HydrophobicContact CD1-CZ 3.85Å; I385-V469 HydrophobicContact CB-CG2 4.44Å; I385-V469 HydrophobicContact CG2-CG1 4.13Å; I385-V469 HydrophobicContact CG2-CG2 4.26Å
386G95.1Very high88.8Confident0 Ų079.6 Ų79.60%037%0.369CS..Hα-helixtrans-61-3817800000113.2P382 V383 I384 W390P382-G386 PolarHBondContact O-N 3.43Å; V383-G386 PolarHBondContact O-N 2.87Å; I384-G386 VanDerWaalsContact C-N 3.34Å; I384-G386 PolarHBondContact O-N 2.83Å; G386-W390 WeakPolarHBondContact O-CA 3.11Å; G386-W390 PolarHBondContact O-N 2.75Å
387M95.4Very high87.9Confident124 Ų12477.3 Ų77.361%0.61137%0.372SS*.Hα-helixtrans-69.8-40.6174.2-72.5177.3176.500112.1V383 I384 I385 M472V383-M387 HydrophobicContact CG1-CE 3.69Å; V383-M387 HydrophobicContact CG1-CG 4.48Å; V383-M387 HydrophobicContact CG1-SD 4.16Å; V383-M387 WeakPolarHBondContact O-CG 3Å; V383-M387 PolarHBondContact O-N 3.19Å; I384-M387 PolarHBondContact O-N 2.94Å; I385-M387 VanDerWaalsContact C-N 3.32Å; I385-M387 PolarHBondContact O-N 2.94Å; M387-M472 HydrophobicContact CG-CE 3.96Å
388L93.4Very high87.4Confident127 Ų12773.8 Ų73.867%0.66536%0.357SS*.Hα-helixtrans-64.8-40-179.9-177.764.9000112.2I384 I385I384-L388 WeakPolarHBondContact O-CB 3.44Å; I384-L388 PolarHBondContact O-N 2.63Å; I385-L388 PolarHBondContact O-N 3.26Å
389Y90.7Very high87.1Confident56 Ų5673.9 Ų73.922%0.2236%0.358CS..THydrogen-bonded Turntrans-106.233.6-178.7-67.1-79.5000112.5I385 R391 A392 N401 I405 T473I385-Y389 HydrophobicContact CG2-CD2 4.09Å; I385-Y389 WeakPolarHBondContact O-CD2 3.28Å; I385-Y389 PolarHBondContact O-N 2.94Å; Y389-R391 PolarHBondContact O-N 3.43Å; Y389-A392 PolarHBondContact O-N 3.29Å; Y389-N401 HydrophobicContact CD1-CB 4Å; Y389-N401 HydrophobicContact CE1-CB 3.96Å; Y389-I405 HydrophobicContact CD1-CD1 3.95Å; Y389-I405 HydrophobicContact CD1-CG1 3.84Å; Y389-I405 HydrophobicContact CD2-CG1 3.83Å; Y389-I405 HydrophobicContact CE1-CG1 4.28Å; Y389-I405 HydrophobicContact CE2-CG1 4.27Å; Y389-I405 HydrophobicContact CG-CD1 3.82Å; Y389-I405 HydrophobicContact CG-CG1 3.59Å; Y389-T473 WeakPolarHBondContact O-CA 3.3Å
390W91.7Very high86.7Confident157 Ų15774.4 Ų74.460%0.59537%0.368SS*.THydrogen-bonded Turntrans-53.1116.1-172.2-173.3-95.8000112.2G386 A392 M472G386-W390 WeakPolarHBondContact O-CA 3.11Å; G386-W390 PolarHBondContact O-N 2.75Å; W390-A392 PolarHBondContact O-N 2.94Å; W390-M472 HydrophobicContact CE3-CE 4.22Å; W390-M472 HydrophobicContact CZ3-CE 3.77Å; W390-M472 HydrophobicContact CZ3-CG 4.49Å
391R85.8Confident86.4Confident176 Ų17672.8 Ų72.866%0.66436%0.361SS*.THydrogen-bonded Turntrans42.660.7179.2-63.4-171.8172.7-166.5-2.5113.6Y389 T393 M472 T473Y389-R391 PolarHBondContact O-N 3.43Å; R391-T393 PolarHBondContact O-N 2.87Å; R391-M472 PolarHBondContact N-O 3.37Å; R391-M472 VanDerWaalsContact N-O 3.13Å; R391-T473 CarbonylContact C-O 3.58Å; R391-T473 WeakPolarHBondContact CA-O 3.42Å
392A79.4Confident86.3Confident11 Ų1169.7 Ų69.79%0.09135%0.345CS..  trans-54.9110.1174.400000110.3Y389 W390 I402 I405 T473Y389-A392 PolarHBondContact O-N 3.29Å; W390-A392 PolarHBondContact O-N 2.94Å; A392-I402 HydrophobicContact CB-CG1 4.24Å; A392-I405 HydrophobicContact CB-CD1 4.47Å; A392-T473 PolarHBondContact N-O 3.19Å
393T73.1Confident86.1Confident70 Ų7070.1 Ų70.143%0.42935%0.347SS..  trans-71.1147179.155.50000110.4R391 Q395 N398R391-T393 PolarHBondContact O-N 2.87Å; T393-Q395 PolarHBondContact O-N 3.2Å; T393-N398 PolarHBondContact N-ND2 3.5Å; T393-N398 WeakPolarHBondContact O-CB 3.33Å; T393-N398 PolarHBondContact O-ND2 3.35Å; T393-N398 PolarHBondContact OG1-ND2 2.94Å
394F71.9Confident85.9Confident65 Ų6568.5 Ų68.529%0.28534%0.339SS..SBendtrans-73.366.1176.8-55.9-67000111.6I402 F568F394-I402 HydrophobicContact CD1-CD1 3.82Å; F394-I402 HydrophobicContact CE1-CD1 4.08Å; F394-F568 HydrophobicContact CB-CE1 4.1Å; F394-F568 HydrophobicContact CB-CZ 4.24Å; F394-F568 WeakPolarHBondContact O-CD1 3.17Å; F394-F568 VanDerWaalsContact O-CE1 3.24Å; F394-F568 WeakPolarHBondContact O-CE1 3.18Å
395Q70.2Confident85.8Confident106 Ų10663.6 Ų63.650%0.49531%0.314SS..SBendtrans-119.3151175.5-64.9-179.8-10.800109.4T393 P397 N398 V399T393-Q395 PolarHBondContact O-N 3.2Å; Q395-P397 VanDerWaalsContact C-CD 3.45Å; Q395-P397 HydrophobicContact CB-CG 4.27Å; Q395-N398 WeakPolarHBondContact O-CA 3.48Å; Q395-N398 WeakPolarHBondContact O-CB 3Å; Q395-N398 PolarHBondContact O-N 3.47Å; Q395-V399 PolarHBondContact O-N 3.38Å
396R69.1Low85.9Confident127 Ų12763.1 Ų63.148%0.47931%0.312SS..Hα-helixtrans-45.4-46.9179.9-89.1-166.8172.1-167.4-2.5115.5N398 V399 Q570 F578R396-N398 PolarHBondContact O-N 2.87Å; R396-N398 VanDerWaalsContact O-N 3.14Å; R396-V399 PolarHBondContact O-N 2.87Å; R396-V399 VanDerWaalsContact O-N 3.15Å; R396-Q570 VanDerWaalsContact NH2-NE2 3.14Å; R396-F578 VanDerWaalsContact NH2-CD2 3.32Å
397P72.7Confident85.9Confident95 Ų9563.4 Ų63.462%0.61731%0.313SS*.Hα-helixtrans-60.4-24.9178.321.6-33.2000113.3Q395Q395-P397 VanDerWaalsContact C-CD 3.45Å; Q395-P397 HydrophobicContact CB-CG 4.27Å
398N82.4Confident85.9Confident29 Ų2959.8 Ų59.816%0.15530%0.296CS..Hα-helixtrans-90.8-4.9-179.1-71.1-25.1000114.2T393 Q395 R396 A400 N401 I402T393-N398 PolarHBondContact N-ND2 3.5Å; T393-N398 WeakPolarHBondContact O-CB 3.33Å; T393-N398 PolarHBondContact O-ND2 3.35Å; T393-N398 PolarHBondContact OG1-ND2 2.94Å; Q395-N398 WeakPolarHBondContact O-CA 3.48Å; Q395-N398 WeakPolarHBondContact O-CB 3Å; Q395-N398 PolarHBondContact O-N 3.47Å; R396-N398 PolarHBondContact O-N 2.87Å; R396-N398 VanDerWaalsContact O-N 3.14Å; N398-A400 VanDerWaalsContact C-N 3.28Å; N398-A400 PolarHBondContact O-N 3.05Å; N398-N401 HydrophobicContact CB-CB 4.49Å; N398-N401 CarbonylContact O-C 3.58Å; N398-N401 WeakPolarHBondContact O-CA 2.91Å; N398-N401 WeakPolarHBondContact O-CB 3.14Å; N398-N401 PolarHBondContact O-N 3.46Å; N398-N401 PolarHBondContact OD1-ND2 3.47Å; N398-I402 WeakPolarHBondContact O-CG1 3.46Å; N398-I402 PolarHBondContact O-N 2.89Å
399V85.2Confident86Confident24 Ų2453.9 Ų53.915%0.14527%0.265CS..Hα-helixtrans-59.2-43.5175.6174.30000110.5Q395 R396 N401 I402 N403 W562 F568 I583Q395-V399 PolarHBondContact O-N 3.38Å; R396-V399 PolarHBondContact O-N 2.87Å; R396-V399 VanDerWaalsContact O-N 3.15Å; V399-N401 VanDerWaalsContact C-N 3.32Å; V399-N401 PolarHBondContact O-N 2.81Å; V399-I402 PolarHBondContact O-N 3.4Å; V399-N403 WeakPolarHBondContact O-CB 3.16Å; V399-N403 PolarHBondContact O-N 3.49Å; V399-N403 PolarHBondContact O-ND2 3.36Å; V399-W562 HydrophobicContact CB-CH2 4.47Å; V399-W562 HydrophobicContact CG1-CH2 4.29Å; V399-W562 HydrophobicContact CG1-CZ2 4Å; V399-W562 HydrophobicContact CG2-CH2 4.17Å; V399-F568 HydrophobicContact CG2-CE1 4.04Å; V399-F568 HydrophobicContact CG2-CZ 3.99Å; V399-I583 HydrophobicContact CG1-CD1 4.22Å; V399-I583 HydrophobicContact CG1-CG1 4.5Å; V399-I583 HydrophobicContact CG1-CG2 3.7Å; V399-I583 HydrophobicContact CG2-CD1 3.85Å
400A87.9Confident86.2Confident68 Ų6851.3 Ų51.356%0.56226%0.255SS*.Hα-helixtrans-62.2-39.5174.100000112N398 G404N398-A400 VanDerWaalsContact C-N 3.28Å; N398-A400 PolarHBondContact O-N 3.05Å; A400-G404 PolarHBondContact O-N 3.12Å
401N90.2Very high86.4Confident63 Ų6345.4 Ų45.434%0.33724%0.235SC..Hα-helixtrans-64.8-45.7176.8-69.2-21.8000111.7Y389 N398 V399 G404 I405Y389-N401 HydrophobicContact CD1-CB 4Å; Y389-N401 HydrophobicContact CE1-CB 3.96Å; N398-N401 HydrophobicContact CB-CB 4.49Å; N398-N401 CarbonylContact O-C 3.58Å; N398-N401 WeakPolarHBondContact O-CA 2.91Å; N398-N401 WeakPolarHBondContact O-CB 3.14Å; N398-N401 PolarHBondContact O-N 3.46Å; N398-N401 PolarHBondContact OD1-ND2 3.47Å; V399-N401 VanDerWaalsContact C-N 3.32Å; V399-N401 PolarHBondContact O-N 2.81Å; N401-G404 CarbonylContact O-C 3.55Å; N401-G404 WeakPolarHBondContact O-CA 3.4Å; N401-G404 PolarHBondContact O-N 3.09Å; N401-G404 VanDerWaalsContact O-N 3.16Å; N401-I405 VanDerWaalsContact O-CG1 3.3Å; N401-I405 WeakPolarHBondContact O-CG1 3.49Å; N401-I405 PolarHBondContact O-N 3.2Å
402I92.5Very high86.8Confident2 Ų238.8 Ų38.81%0.0121%0.213CC..Hα-helixtrans-61.2-49.8177.8-69.5167000110.5A392 F394 N398 V399 G404 I405 L406 L475 Q561 W562A392-I402 HydrophobicContact CB-CG1 4.24Å; F394-I402 HydrophobicContact CD1-CD1 3.82Å; F394-I402 HydrophobicContact CE1-CD1 4.08Å; N398-I402 WeakPolarHBondContact O-CG1 3.46Å; N398-I402 PolarHBondContact O-N 2.89Å; V399-I402 PolarHBondContact O-N 3.4Å; I402-G404 PolarHBondContact O-N 3.48Å; I402-I405 WeakPolarHBondContact O-CB 3.5Å; I402-I405 PolarHBondContact O-N 3.35Å; I402-I405 VanDerWaalsContact O-N 3.09Å; I402-L406 HydrophobicContact CG2-CD1 4.42Å; I402-L406 WeakPolarHBondContact O-CG 3.3Å; I402-L406 PolarHBondContact O-N 2.99Å; I402-L475 HydrophobicContact CG2-CD2 4.02Å; I402-Q561 HydrophobicContact CG2-CG 3.94Å; I402-W562 HydrophobicContact CB-CH2 3.99Å; I402-W562 HydrophobicContact CB-CZ2 3.8Å; I402-W562 HydrophobicContact CD1-CH2 3.65Å; I402-W562 HydrophobicContact CD1-CZ2 4.35Å; I402-W562 HydrophobicContact CD1-CZ3 4.37Å; I402-W562 HydrophobicContact CG1-CH2 4.42Å; I402-W562 HydrophobicContact CG2-CH2 3.83Å; I402-W562 HydrophobicContact CG2-CZ2 3.46Å; I402-W562 VanDerWaalsContact CG2-CZ2 3.46Å
403N92.3Very high87.6Confident9 Ų938.3 Ų38.35%0.04821%0.209CC..Hα-helixtrans-60-37.4175.1-76.6-18.8000112V399 L406 F407 F530 Y554 W562V399-N403 WeakPolarHBondContact O-CB 3.16Å; V399-N403 PolarHBondContact O-N 3.49Å; V399-N403 PolarHBondContact O-ND2 3.36Å; N403-L406 PolarHBondContact O-N 3.19Å; N403-F407 WeakPolarHBondContact O-CB 3.42Å; N403-F407 PolarHBondContact O-N 3.45Å; N403-F530 HydrophobicContact CB-CE2 4.3Å; N403-Y554 VanDerWaalsContact CB-OH 3.32Å; N403-Y554 WeakPolarHBondContact CB-OH 3.33Å; N403-Y554 WeakPolarHBondContact O-CE2 3.3Å; N403-W562 PolarHBondContact OD1-NE1 3.23Å
404G93.6Very high88.7Confident10 Ų1035 Ų3510%0.10319%0.189CC..Hα-helixtrans-59.3-44.1172.400000112.8A400 N401 I402 L408A400-G404 PolarHBondContact O-N 3.12Å; N401-G404 CarbonylContact O-C 3.55Å; N401-G404 WeakPolarHBondContact O-CA 3.4Å; N401-G404 PolarHBondContact O-N 3.09Å; N401-G404 VanDerWaalsContact O-N 3.16Å; I402-G404 PolarHBondContact O-N 3.48Å; G404-L408 WeakPolarHBondContact O-CB 3.47Å; G404-L408 PolarHBondContact O-N 3.4Å
405I95.1Very high89.8Confident1 Ų134.2 Ų34.21%0.00519%0.185CC..Hα-helixtrans-62.9-46.9176.4-63.5156.5000110.9Y389 A392 N401 I402 F407 L408 L409 V469 T473 L475Y389-I405 HydrophobicContact CD1-CD1 3.95Å; Y389-I405 HydrophobicContact CD1-CG1 3.84Å; Y389-I405 HydrophobicContact CD2-CG1 3.83Å; Y389-I405 HydrophobicContact CE1-CG1 4.28Å; Y389-I405 HydrophobicContact CE2-CG1 4.27Å; Y389-I405 HydrophobicContact CG-CD1 3.82Å; Y389-I405 HydrophobicContact CG-CG1 3.59Å; A392-I405 HydrophobicContact CB-CD1 4.47Å; N401-I405 VanDerWaalsContact O-CG1 3.3Å; N401-I405 WeakPolarHBondContact O-CG1 3.49Å; N401-I405 PolarHBondContact O-N 3.2Å; I402-I405 WeakPolarHBondContact O-CB 3.5Å; I402-I405 PolarHBondContact O-N 3.35Å; I402-I405 VanDerWaalsContact O-N 3.09Å; I405-F407 PolarHBondContact O-N 2.99Å; I405-L408 PolarHBondContact O-N 2.63Å; I405-L409 HydrophobicContact CG2-CD1 4.36Å; I405-L409 PolarHBondContact O-N 3.16Å; I405-V469 HydrophobicContact CG2-CG1 3.66Å; I405-T473 HydrophobicContact CD1-CG2 4.05Å; I405-T473 HydrophobicContact CG1-CG2 4.36Å; I405-T473 HydrophobicContact CG2-CG2 4.31Å; I405-L475 HydrophobicContact CG2-CD1 4.32Å
406L95.5Very high90.8Very high5 Ų531.4 Ų31.43%0.02618%0.184CC..Hα-helixtrans-63.2-42.8-179.5-62.1177.9000111.7I402 N403 L409 A410 L475 Y554 L557 Q561I402-L406 HydrophobicContact CG2-CD1 4.42Å; I402-L406 WeakPolarHBondContact O-CG 3.3Å; I402-L406 PolarHBondContact O-N 2.99Å; N403-L406 PolarHBondContact O-N 3.19Å; L406-L409 WeakPolarHBondContact O-CB 3.41Å; L406-L409 PolarHBondContact O-N 3.43Å; L406-A410 PolarHBondContact O-N 2.95Å; L406-L475 HydrophobicContact CD2-CD1 4.02Å; L406-L475 HydrophobicContact CD2-CD2 4.34Å; L406-Y554 HydrophobicContact CB-CD2 4.1Å; L406-Y554 HydrophobicContact CB-CE2 4Å; L406-L557 HydrophobicContact CB-CB 4.44Å; L406-L557 HydrophobicContact CD2-CB 4.34Å; L406-Q561 HydrophobicContact CD1-CB 3.84Å; L406-Q561 HydrophobicContact CD1-CG 4.11Å; L406-Q561 HydrophobicContact CD2-CB 4.38Å
407F95.6Very high92Very high6 Ų626 Ų263%0.02616%0.164CC..Hα-helixtrans-67.1-38.6175.5-170.5-109.9000111.6N403 I405 L409 A410 N411 L525 F530 Y531 F550 Y554N403-F407 WeakPolarHBondContact O-CB 3.42Å; N403-F407 PolarHBondContact O-N 3.45Å; I405-F407 PolarHBondContact O-N 2.99Å; F407-L409 VanDerWaalsContact C-N 3.33Å; F407-L409 PolarHBondContact O-N 3.4Å; F407-A410 PolarHBondContact O-N 3.29Å; F407-N411 WeakPolarHBondContact O-CB 3.49Å; F407-N411 PolarHBondContact O-N 2.84Å; F407-L525 HydrophobicContact CE1-CD1 3.7Å; F407-L525 HydrophobicContact CE2-CD1 4.34Å; F407-L525 HydrophobicContact CZ-CD1 3.34Å; F407-L525 HydrophobicContact CZ-CG 4.1Å; F407-F530 HydrophobicContact CB-CB 4.16Å; F407-F530 HydrophobicContact CB-CD1 4.49Å; F407-F530 HydrophobicContact CB-CD2 3.69Å; F407-F530 HydrophobicContact CB-CE2 4.2Å; F407-F530 HydrophobicContact CB-CG 3.86Å; F407-F530 HydrophobicContact CD1-CB 3.83Å; F407-F530 AromaticContact CD1-CD1 3.6Å; F407-F530 HydrophobicContact CD1-CD1 3.6Å; F407-F530 HydrophobicContact CD1-CD2 4.31Å; F407-F530 HydrophobicContact CD1-CE1 4.24Å; F407-F530 AromaticContact CD1-CG 3.64Å; F407-F530 HydrophobicContact CD1-CG 3.64Å; F407-F530 HydrophobicContact CD2-CB 3.37Å; F407-F530 HydrophobicContact CD2-CD2 4.49Å; F407-F530 AromaticContact CD2-CG 3.98Å; F407-F530 HydrophobicContact CD2-CG 3.98Å; F407-F530 HydrophobicContact CE1-CB 3.97Å; F407-F530 AromaticContact CE1-CD1 3.88Å; F407-F530 HydrophobicContact CE1-CD1 3.88Å; F407-F530 HydrophobicContact CE1-CG 4.11Å; F407-F530 HydrophobicContact CE2-CB 3.52Å; F407-F530 HydrophobicContact CE2-CG 4.41Å; F407-F530 HydrophobicContact CG-CB 3.51Å; F407-F530 HydrophobicContact CG-CD1 4.02Å; F407-F530 AromaticContact CG-CD2 3.93Å; F407-F530 HydrophobicContact CG-CD2 3.93Å; F407-F530 AromaticContact CG-CG 3.55Å; F407-F530 HydrophobicContact CG-CG 3.55Å; F407-F530 HydrophobicContact CZ-CB 3.8Å; F407-F530 HydrophobicContact CZ-CG 4.45Å; F407-Y531 HydrophobicContact CE1-CD2 4.14Å; F407-Y531 AromaticContact CE1-CE2 3.5Å; F407-Y531 HydrophobicContact CE1-CE2 3.5Å; F407-Y531 HydrophobicContact CZ-CD2 4.15Å; F407-Y531 AromaticContact CZ-CE2 3.89Å; F407-Y531 HydrophobicContact CZ-CE2 3.89Å; F407-F550 HydrophobicContact CE2-CB 4.43Å; F407-Y554 HydrophobicContact CB-CD2 3.77Å; F407-Y554 HydrophobicContact CB-CE2 3.83Å; F407-Y554 HydrophobicContact CB-CG 4.39Å; F407-Y554 HydrophobicContact CD2-CD1 4.03Å; F407-Y554 HydrophobicContact CD2-CD2 4Å; F407-Y554 AromaticContact CD2-CG 3.74Å; F407-Y554 HydrophobicContact CD2-CG 3.74Å; F407-Y554 HydrophobicContact CG-CD2 4.41Å
408L94.8Very high93.1Very high49 Ų4921.5 Ų21.526%0.25714%0.135SC..Hα-helixtrans-66.1-34.1177.2-169.965.2000112.5I385 G404 I405 N411 N412I385-L408 HydrophobicContact CB-CD2 4.37Å; I385-L408 HydrophobicContact CD1-CD2 3.48Å; I385-L408 VanDerWaalsContact CD1-CD2 3.48Å; I385-L408 HydrophobicContact CD1-CG 3.96Å; I385-L408 HydrophobicContact CG1-CD2 3.66Å; I385-L408 HydrophobicContact CG2-CD2 3.78Å; G404-L408 WeakPolarHBondContact O-CB 3.47Å; G404-L408 PolarHBondContact O-N 3.4Å; I405-L408 PolarHBondContact O-N 2.63Å; L408-N411 PolarHBondContact O-N 3.4Å; L408-N412 WeakPolarHBondContact O-CB 3.44Å; L408-N412 PolarHBondContact O-N 3.21Å; L408-N412 PolarHBondContact O-ND2 2.87Å
409L95.5Very high93.6Very high3 Ų323 Ų232%0.01614%0.14CC..Hα-helixtrans-60.3-55.8170.6-83.7165.9000110.7I405 L406 F407 N411 N412 M413 F465 V469 L475 L557I405-L409 HydrophobicContact CG2-CD1 4.36Å; I405-L409 PolarHBondContact O-N 3.16Å; L406-L409 WeakPolarHBondContact O-CB 3.41Å; L406-L409 PolarHBondContact O-N 3.43Å; F407-L409 VanDerWaalsContact C-N 3.33Å; F407-L409 PolarHBondContact O-N 3.4Å; L409-N411 VanDerWaalsContact C-N 3.26Å; L409-N411 PolarHBondContact O-N 3.25Å; L409-N412 PolarHBondContact O-N 2.89Å; L409-M413 WeakPolarHBondContact O-CG 3.48Å; L409-M413 PolarHBondContact O-N 3.27Å; L409-M413 VanDerWaalsContact O-N 3.13Å; L409-F465 HydrophobicContact CD2-CD1 3.84Å; L409-F465 HydrophobicContact CD2-CE1 3.84Å; L409-V469 HydrophobicContact CD1-CG1 4.25Å; L409-V469 HydrophobicContact CD2-CB 4.08Å; L409-V469 HydrophobicContact CD2-CG1 4.15Å; L409-V469 HydrophobicContact CD2-CG2 4.32Å; L409-V469 HydrophobicContact CG-CG1 4.16Å; L409-L475 HydrophobicContact CD1-CD1 4.43Å; L409-L557 HydrophobicContact CB-CD1 4.39Å
410A96.5Very high93.8Very high1 Ų122.2 Ų22.21%0.00814%0.138CC..Hα-helixtrans-57.7-41.9176.800000111.5L406 F407 M413 V414 L557L406-A410 PolarHBondContact O-N 2.95Å; F407-A410 PolarHBondContact O-N 3.29Å; A410-M413 PolarHBondContact O-N 2.99Å; A410-V414 WeakPolarHBondContact O-CG2 3.36Å; A410-V414 PolarHBondContact O-N 3.4Å; A410-L557 HydrophobicContact CB-CD1 4.36Å
411N95.5Very high94Very high33 Ų3319.1 Ų19.118%0.17611%0.112CC..Hα-helixtrans-61.6-47.7-178.8-171.349.5000112.9F407 L408 L409 M413 V414 F415 L525 F550F407-N411 WeakPolarHBondContact O-CB 3.49Å; F407-N411 PolarHBondContact O-N 2.84Å; L408-N411 PolarHBondContact O-N 3.4Å; L409-N411 VanDerWaalsContact C-N 3.26Å; L409-N411 PolarHBondContact O-N 3.25Å; N411-M413 VanDerWaalsContact C-N 3.33Å; N411-M413 PolarHBondContact O-N 3.43Å; N411-V414 PolarHBondContact O-N 2.85Å; N411-F415 PolarHBondContact O-N 3.48Å; N411-F415 WeakPolarHBondContact OD1-CD2 3.27Å; N411-F415 WeakPolarHBondContact OD1-CE2 3.41Å; N411-L525 VanDerWaalsContact OD1-CD1 3.3Å; N411-L525 WeakPolarHBondContact OD1-CD1 3.47Å; N411-F550 HydrophobicContact CB-CE1 4.45Å; N411-F550 WeakPolarHBondContact OD1-CE1 3.36Å
412N94.7Very high94.2Very high38 Ų3816.1 Ų16.120%0.20310%0.096CC..Hα-helixtrans-65-36.7177.7-83.8-83.9000112.2L408 L409 V414 G416 F465L408-N412 WeakPolarHBondContact O-CB 3.44Å; L408-N412 PolarHBondContact O-N 3.21Å; L408-N412 PolarHBondContact O-ND2 2.87Å; L409-N412 PolarHBondContact O-N 2.89Å; N412-V414 VanDerWaalsContact C-N 3.33Å; N412-V414 PolarHBondContact O-N 2.99Å; N412-G416 PolarHBondContact O-N 3.3Å; N412-F465 HydrophobicContact CB-CE1 4.13Å; N412-F465 HydrophobicContact CB-CE2 4.14Å; N412-F465 HydrophobicContact CB-CZ 3.67Å
413M95.3Very high94.1Very high1 Ų120.4 Ų20.41%0.00512%0.116CC..Hα-helixtrans-63.5-37.3174.1-65.7-52.9114.700112.2L409 A410 N411 F417 P462 F465 C492 A493 A496L409-M413 WeakPolarHBondContact O-CG 3.48Å; L409-M413 PolarHBondContact O-N 3.27Å; L409-M413 VanDerWaalsContact O-N 3.13Å; A410-M413 PolarHBondContact O-N 2.99Å; N411-M413 VanDerWaalsContact C-N 3.33Å; N411-M413 PolarHBondContact O-N 3.43Å; M413-F417 WeakPolarHBondContact O-CB 3.36Å; M413-F417 WeakPolarHBondContact O-CD2 3.1Å; M413-F417 HydrophobicContact SD-CD2 4.5Å; M413-F417 HydrophobicContact SD-CE2 3.87Å; M413-P462 HydrophobicContact SD-CB 3.59Å; M413-P462 VanDerWaalsContact SD-CB 3.59Å; M413-P462 HydrophobicContact SD-CG 3.91Å; M413-F465 HydrophobicContact CE-CB 3.91Å; M413-F465 HydrophobicContact CE-CD1 3.6Å; M413-F465 HydrophobicContact CE-CD2 4.39Å; M413-F465 HydrophobicContact CE-CE1 4.23Å; M413-F465 HydrophobicContact CE-CG 3.71Å; M413-C492 HydrophobicContact CB-CB 4.3Å; M413-A493 HydrophobicContact CB-CB 4.39Å; M413-A493 HydrophobicContact SD-CB 4.14Å; M413-A496 WeakPolarHBondContact O-CB 3.3Å
414V96.6Very high93.9Very high1 Ų121.5 Ų21.51%0.00612%0.122CC..Hα-helixtrans-74.5-57179.2-179.60000111.8A410 N411 N412 V418 A496 I521 I549 F550A410-V414 WeakPolarHBondContact O-CG2 3.36Å; A410-V414 PolarHBondContact O-N 3.4Å; N411-V414 PolarHBondContact O-N 2.85Å; N412-V414 VanDerWaalsContact C-N 3.33Å; N412-V414 PolarHBondContact O-N 2.99Å; V414-V418 HydrophobicContact CG1-CG2 4.24Å; V414-V418 WeakPolarHBondContact O-CB 3.49Å; V414-V418 VanDerWaalsContact O-CG2 3.23Å; V414-V418 WeakPolarHBondContact O-CG2 3.26Å; V414-V418 PolarHBondContact O-N 3.42Å; V414-V418 VanDerWaalsContact O-N 3.08Å; V414-A496 HydrophobicContact CB-CB 4.34Å; V414-A496 HydrophobicContact CG1-CB 4.35Å; V414-A496 HydrophobicContact CG2-CB 4.38Å; V414-I521 HydrophobicContact CG1-CG2 4.15Å; V414-I549 HydrophobicContact CG2-CB 4.29Å; V414-I549 HydrophobicContact CG2-CG2 3.85Å; V414-F550 HydrophobicContact CB-CD1 4.36Å; V414-F550 HydrophobicContact CB-CE1 3.62Å; V414-F550 HydrophobicContact CB-CE2 4.27Å; V414-F550 HydrophobicContact CB-CZ 3.58Å; V414-F550 HydrophobicContact CG1-CE1 4Å; V414-F550 HydrophobicContact CG1-CE2 3.77Å; V414-F550 HydrophobicContact CG1-CZ 3.39Å; V414-F550 HydrophobicContact CG2-CD1 4.05Å; V414-F550 HydrophobicContact CG2-CE1 3.82Å; V414-F550 HydrophobicContact CG2-CE2 4.38Å; V414-F550 HydrophobicContact CG2-CG 4.43Å; V414-F550 HydrophobicContact CG2-CZ 4Å
415F94.3Very high93.7Very high48 Ų4821 Ų2121%0.21112%0.118CC..Hα-helixtrans-65.6-45.3-174.8-82.1-81.9000112.7N411 F417 F419 I521 L525 F550N411-F415 PolarHBondContact O-N 3.48Å; N411-F415 WeakPolarHBondContact OD1-CD2 3.27Å; N411-F415 WeakPolarHBondContact OD1-CE2 3.41Å; F415-F417 VanDerWaalsContact C-N 3.33Å; F415-F417 PolarHBondContact O-N 3.21Å; F415-F419 HydrophobicContact CD1-CD2 4.35Å; F415-F419 AromaticContact CD1-CE2 3.6Å; F415-F419 HydrophobicContact CD1-CE2 3.6Å; F415-F419 HydrophobicContact CD1-CZ 4.19Å; F415-F419 HydrophobicContact CE1-CE2 4.32Å; F415-F419 VanDerWaalsContact O-CD2 3.26Å; F415-F419 WeakPolarHBondContact O-CD2 3.45Å; F415-F419 PolarHBondContact O-N 2.92Å; F415-I521 HydrophobicContact CD1-CD1 4.42Å; F415-I521 HydrophobicContact CD1-CG2 4.12Å; F415-I521 HydrophobicContact CD2-CG2 4.34Å; F415-I521 HydrophobicContact CE1-CB 4.29Å; F415-I521 HydrophobicContact CE1-CD1 4.41Å; F415-I521 HydrophobicContact CE1-CG2 3.61Å; F415-I521 HydrophobicContact CE2-CG2 3.82Å; F415-I521 HydrophobicContact CG-CG2 4.5Å; F415-I521 HydrophobicContact CZ-CB 4.4Å; F415-I521 HydrophobicContact CZ-CG2 3.45Å; F415-I521 VanDerWaalsContact CZ-CG2 3.45Å; F415-L525 HydrophobicContact CE2-CD1 4.46Å; F415-L525 HydrophobicContact CE2-CD2 4.34Å; F415-F550 HydrophobicContact CD2-CE1 4.31Å; F415-F550 HydrophobicContact CD2-CZ 4.2Å; F415-F550 HydrophobicContact CE2-CE1 4.14Å; F415-F550 AromaticContact CE2-CZ 3.85Å; F415-F550 HydrophobicContact CE2-CZ 3.85Å
416G91.3Very high93.6Very high46 Ų4621.1 Ų21.147%0.47412%0.118SC..Hα-helixtrans-60.8-41.5-176.700000112.6N412 G420N412-G416 PolarHBondContact O-N 3.3Å; G416-G420 PolarHBondContact O-N 3.48Å; G416-G420 VanDerWaalsContact O-N 3.13Å
417F94.5Very high93.1Very high14 Ų1425.6 Ų25.66%0.06115%0.146CC..Hα-helixtrans-87.2-33.6-174.7-71.5-92.6000113.9M413 F415 V421 Y458 Y461 P462 A493 A496 V497M413-F417 WeakPolarHBondContact O-CB 3.36Å; M413-F417 WeakPolarHBondContact O-CD2 3.1Å; M413-F417 HydrophobicContact SD-CD2 4.5Å; M413-F417 HydrophobicContact SD-CE2 3.87Å; F415-F417 VanDerWaalsContact C-N 3.33Å; F415-F417 PolarHBondContact O-N 3.21Å; F417-V421 VanDerWaalsContact O-CG2 3.29Å; F417-V421 WeakPolarHBondContact O-CG2 3.39Å; F417-V421 PolarHBondContact O-N 3.22Å; F417-V421 VanDerWaalsContact O-N 3.1Å; F417-Y458 AromaticContact CD1-CD1 3.68Å; F417-Y458 HydrophobicContact CD1-CD1 3.68Å; F417-Y458 HydrophobicContact CD1-CE1 4.16Å; F417-Y458 AromaticContact CE1-CD1 3.81Å; F417-Y458 HydrophobicContact CE1-CD1 3.81Å; F417-Y461 HydrophobicContact CE1-CD2 4.45Å; F417-P462 HydrophobicContact CE1-CG 4.13Å; F417-P462 HydrophobicContact CE2-CG 3.88Å; F417-P462 VanDerWaalsContact CZ-CD 3.49Å; F417-P462 HydrophobicContact CZ-CG 3.43Å; F417-P462 VanDerWaalsContact CZ-CG 3.43Å; F417-A493 HydrophobicContact CD1-CB 4.39Å; F417-A493 HydrophobicContact CD2-CB 3.96Å; F417-A493 HydrophobicContact CE1-CB 4.47Å; F417-A493 HydrophobicContact CE2-CB 4.02Å; F417-A493 HydrophobicContact CG-CB 4.15Å; F417-A493 HydrophobicContact CZ-CB 4.3Å; F417-A496 HydrophobicContact CB-CB 4.25Å; F417-V497 HydrophobicContact CB-CG2 3.76Å; F417-V497 HydrophobicContact CD1-CG2 3.83Å; F417-V497 HydrophobicContact CG-CG2 4.18Å
418V95.6Very high92.8Very high0 Ų026.1 Ų26.10%015%0.148CC..Hα-helixtrans-59.8-52.3173.5170.50000110.1V414 V421 I422 A496 L499 I503 I521V414-V418 HydrophobicContact CG1-CG2 4.24Å; V414-V418 WeakPolarHBondContact O-CB 3.49Å; V414-V418 VanDerWaalsContact O-CG2 3.23Å; V414-V418 WeakPolarHBondContact O-CG2 3.26Å; V414-V418 PolarHBondContact O-N 3.42Å; V414-V418 VanDerWaalsContact O-N 3.08Å; V418-V421 PolarHBondContact O-N 3.17Å; V418-I422 HydrophobicContact CG1-CD1 3.87Å; V418-I422 WeakPolarHBondContact O-CG1 3.24Å; V418-I422 PolarHBondContact O-N 3.05Å; V418-A496 HydrophobicContact CG2-CB 4.08Å; V418-A496 WeakPolarHBondContact CG2-O 3.25Å; V418-L499 HydrophobicContact CG2-CB 4.43Å; V418-L499 HydrophobicContact CG2-CD2 4.31Å; V418-I503 HydrophobicContact CG1-CD1 4.01Å; V418-I521 HydrophobicContact CB-CD1 4.18Å; V418-I521 HydrophobicContact CG1-CD1 3.7Å; V418-I521 HydrophobicContact CG2-CD1 4.47Å
419F93Very high92.6Very high60 Ų6023.8 Ų23.826%0.26314%0.136SC..Hα-helixtrans-67.7-39.5-179.6-67-45.3000112.4F415 V421 I422 E423 L514 I521F415-F419 HydrophobicContact CD1-CD2 4.35Å; F415-F419 AromaticContact CD1-CE2 3.6Å; F415-F419 HydrophobicContact CD1-CE2 3.6Å; F415-F419 HydrophobicContact CD1-CZ 4.19Å; F415-F419 HydrophobicContact CE1-CE2 4.32Å; F415-F419 VanDerWaalsContact O-CD2 3.26Å; F415-F419 WeakPolarHBondContact O-CD2 3.45Å; F415-F419 PolarHBondContact O-N 2.92Å; F419-V421 VanDerWaalsContact C-N 3.26Å; F419-V421 PolarHBondContact O-N 2.98Å; F419-I422 HydrophobicContact CD1-CD1 4.37Å; F419-I422 PolarHBondContact O-N 2.75Å; F419-I422 VanDerWaalsContact O-N 3.14Å; F419-E423 PolarHBondContact O-N 3.41Å; F419-L514 HydrophobicContact CB-CD2 4.46Å; F419-L514 HydrophobicContact CD1-CD2 3.46Å; F419-L514 VanDerWaalsContact CD1-CD2 3.46Å; F419-L514 HydrophobicContact CE1-CD2 4Å; F419-L514 HydrophobicContact CG-CD2 4.28Å; F419-I521 HydrophobicContact CE1-CD1 4.37Å; F419-I521 HydrophobicContact CZ-CD1 4.3Å
420G90.1Very high92.2Very high9 Ų926.1 Ų26.19%0.09315%0.152CC..Hα-helixtrans-58.5-36.5177.100000113.4R374 G416R374-G420 VanDerWaalsContact NH2-CA 3.32Å; R374-G420 PolarHBondContact NH2-O 3.19Å; G416-G420 PolarHBondContact O-N 3.48Å; G416-G420 VanDerWaalsContact O-N 3.13Å
421V92.6Very high91.9Very high3 Ų326.7 Ų26.72%0.01816%0.155CC..Hα-helixtrans-72.2-41.8175.9168.90000111.6F417 V418 F419 E423 V424 F425 Y458 V497 Y501F417-V421 VanDerWaalsContact O-CG2 3.29Å; F417-V421 WeakPolarHBondContact O-CG2 3.39Å; F417-V421 PolarHBondContact O-N 3.22Å; F417-V421 VanDerWaalsContact O-N 3.1Å; V418-V421 PolarHBondContact O-N 3.17Å; F419-V421 VanDerWaalsContact C-N 3.26Å; F419-V421 PolarHBondContact O-N 2.98Å; V421-E423 VanDerWaalsContact C-N 3.32Å; V421-E423 PolarHBondContact O-N 3.07Å; V421-V424 PolarHBondContact O-N 3.47Å; V421-F425 HydrophobicContact CG1-CB 4.32Å; V421-F425 WeakPolarHBondContact O-CB 3.19Å; V421-F425 PolarHBondContact O-N 3.25Å; V421-Y458 WeakPolarHBondContact CG2-OH 3.48Å; V421-V497 HydrophobicContact CG2-CB 4.14Å; V421-V497 HydrophobicContact CG2-CG1 3.71Å; V421-V497 HydrophobicContact CG2-CG2 4.08Å; V421-Y501 HydrophobicContact CG1-CD2 3.47Å; V421-Y501 VanDerWaalsContact CG1-CD2 3.47Å; V421-Y501 HydrophobicContact CG1-CE2 3.7Å; V421-Y501 HydrophobicContact CG1-CG 3.98Å; V421-Y501 HydrophobicContact CG2-CD2 4.33Å; V421-Y501 HydrophobicContact CG2-CE2 4.2Å
422I94.2Very high91.6Very high0 Ų025.1 Ų25.10%015%0.146CC..Hα-helixtrans-57.9-45.5-178.6-71.8166.3000111.7V418 F419 V424 C426 I503 S504 A513 L514 S517V418-I422 HydrophobicContact CG1-CD1 3.87Å; V418-I422 WeakPolarHBondContact O-CG1 3.24Å; V418-I422 PolarHBondContact O-N 3.05Å; F419-I422 HydrophobicContact CD1-CD1 4.37Å; F419-I422 PolarHBondContact O-N 2.75Å; F419-I422 VanDerWaalsContact O-N 3.14Å; I422-V424 VanDerWaalsContact C-N 3.28Å; I422-V424 PolarHBondContact O-N 2.94Å; I422-C426 VanDerWaalsContact O-CB 3.23Å; I422-C426 WeakPolarHBondContact O-CB 3.42Å; I422-C426 PolarHBondContact O-N 3.45Å; I422-I503 HydrophobicContact CD1-CB 4.19Å; I422-I503 HydrophobicContact CD1-CD1 4.45Å; I422-I503 HydrophobicContact CD1-CG2 3.81Å; I422-I503 HydrophobicContact CG1-CG2 4.34Å; I422-S504 WeakPolarHBondContact CA-OG 3.14Å; I422-A513 HydrophobicContact CG1-CB 4.48Å; I422-A513 HydrophobicContact CG2-CB 3.45Å; I422-A513 VanDerWaalsContact CG2-CB 3.45Å; I422-L514 HydrophobicContact CB-CD2 4.34Å; I422-L514 HydrophobicContact CG2-CD2 3.83Å; I422-L514 HydrophobicContact CG2-CG 4.02Å; I422-S517 WeakPolarHBondContact CD1-OG 3.28Å
423E88.7Confident91.3Very high91 Ų9124 Ų2443%0.42514%0.14SC..Hα-helixtrans-63.7-33-179.5-69.9-179.616400113.3R374 F419 V421 V427R374-E423 IonicContact NH2-OE2 3.21Å; F419-E423 PolarHBondContact O-N 3.41Å; V421-E423 VanDerWaalsContact C-N 3.32Å; V421-E423 PolarHBondContact O-N 3.07Å; E423-V427 WeakPolarHBondContact O-CG2 3.22Å
424V88.1Confident90.7Very high32 Ų3225.7 Ų25.719%0.19415%0.147CC..Hα-helixtrans-88.4-50.2-176.8176.50000110.8V421 I422 V427 E428V421-V424 PolarHBondContact O-N 3.47Å; I422-V424 VanDerWaalsContact C-N 3.28Å; I422-V424 PolarHBondContact O-N 2.94Å; V424-V427 PolarHBondContact O-N 3.28Å; V424-E428 PolarHBondContact O-N 2.92Å
425F91.1Very high90.3Very high1 Ų125.9 Ų25.90%0.00415%0.147CC..Hα-helixtrans-72.3-39.1-171.2-167.3-93.5000112.4V421 V427 E428 L429 Y446 Y447 K450 Y501 T505V421-F425 HydrophobicContact CG1-CB 4.32Å; V421-F425 WeakPolarHBondContact O-CB 3.19Å; V421-F425 PolarHBondContact O-N 3.25Å; F425-V427 VanDerWaalsContact C-N 3.31Å; F425-V427 PolarHBondContact O-N 3.36Å; F425-E428 PolarHBondContact O-N 3.07Å; F425-L429 HydrophobicContact CE1-CD1 3.92Å; F425-L429 HydrophobicContact CE1-CD2 4.4Å; F425-L429 HydrophobicContact CZ-CD1 4.23Å; F425-L429 WeakPolarHBondContact O-CB 3.11Å; F425-L429 PolarHBondContact O-N 3.44Å; F425-L429 VanDerWaalsContact O-N 3.16Å; F425-Y446 AromaticContact CE2-CE1 3.99Å; F425-Y446 HydrophobicContact CE2-CE1 3.99Å; F425-Y446 HydrophobicContact CZ-CE1 4.06Å; F425-Y447 HydrophobicContact CZ-CD2 4.47Å; F425-K450 HydrophobicContact CD2-CG 4.21Å; F425-K450 HydrophobicContact CE2-CG 4.31Å; F425-Y501 AromaticContact CD2-CD1 3.91Å; F425-Y501 HydrophobicContact CD2-CD1 3.91Å; F425-Y501 AromaticContact CD2-CE1 3.34Å; F425-Y501 HydrophobicContact CD2-CE1 3.34Å; F425-Y501 AromaticContact CE2-CD1 3.92Å; F425-Y501 HydrophobicContact CE2-CD1 3.92Å; F425-Y501 AromaticContact CE2-CE1 3.42Å; F425-Y501 HydrophobicContact CE2-CE1 3.42Å; F425-Y501 VanDerWaalsContact CE2-CE1 3.42Å; F425-Y501 HydrophobicContact CG-CD1 4.23Å; F425-Y501 HydrophobicContact CG-CE1 4.04Å; F425-Y501 HydrophobicContact CZ-CD1 4.21Å; F425-Y501 HydrophobicContact CZ-CE1 4.15Å; F425-T505 HydrophobicContact CD1-CG2 4.44Å; F425-T505 HydrophobicContact CE1-CG2 3.54Å; F425-T505 HydrophobicContact CZ-CG2 4.12Å
426C91.6Very high89.8Confident3 Ų325.1 Ų25.12%0.0214%0.143CC..Hα-helixtrans-64.2-34.6178-74.40000112.6I422 P430 S504 V510I422-C426 VanDerWaalsContact O-CB 3.23Å; I422-C426 WeakPolarHBondContact O-CB 3.42Å; I422-C426 PolarHBondContact O-N 3.45Å; C426-P430 VanDerWaalsContact O-CD 3.26Å; C426-P430 WeakPolarHBondContact O-CD 3.31Å; C426-S504 VanDerWaalsContact SG-CA 3.57Å; C426-S504 VanDerWaalsContact SG-CB 3.59Å; C426-V510 HydrophobicContact CB-CG2 3.59Å
427V86.4Confident89Confident99 Ų9925.3 Ų25.360%0.613%0.131SC*.Hα-helixtrans-71.9-35.8-179174.50000111.8E423 V424 F425 P430 V510E423-V427 WeakPolarHBondContact O-CG2 3.22Å; V424-V427 PolarHBondContact O-N 3.28Å; F425-V427 VanDerWaalsContact C-N 3.31Å; F425-V427 PolarHBondContact O-N 3.36Å; V427-P430 WeakPolarHBondContact O-CD 3.38Å; V427-V510 HydrophobicContact CG2-CG2 3.68Å
428E89.1Confident88.2Confident16 Ų1626 Ų268%0.07514%0.138CC..Hα-helixtrans-78.7-24.9179.2-166.6172.7165.200112.5R359 V424 F425 V431 F432 Y446 K450R359-E428 IonicContact NH2-OE1 2.76Å; V424-E428 PolarHBondContact O-N 2.92Å; F425-E428 PolarHBondContact O-N 3.07Å; E428-V431 WeakPolarHBondContact O-CB 3.35Å; E428-V431 PolarHBondContact O-N 3.42Å; E428-F432 PolarHBondContact O-N 3.48Å; E428-F432 VanDerWaalsContact O-N 3.15Å; E428-Y446 HydrophobicContact CG-CE2 4.48Å; E428-K450 VanDerWaalsContact OE2-CE 3.28Å; E428-K450 WeakPolarHBondContact OE2-CE 3.04Å; E428-K450 IonicContact OE2-NZ 3.83Å; E428-K450 PolarHBondContact OE2-NZ 3.21Å
429L89.6Confident87.4Confident0 Ų028.3 Ų28.30%015%0.151CC..Hα-helixtrans-58.3-41.6-171.4-165.662.5000114.8F425 V431 F432 I433 A508 L616F425-L429 HydrophobicContact CE1-CD1 3.92Å; F425-L429 HydrophobicContact CE1-CD2 4.4Å; F425-L429 HydrophobicContact CZ-CD1 4.23Å; F425-L429 WeakPolarHBondContact O-CB 3.11Å; F425-L429 PolarHBondContact O-N 3.44Å; F425-L429 VanDerWaalsContact O-N 3.16Å; L429-V431 VanDerWaalsContact C-N 3.31Å; L429-V431 PolarHBondContact O-N 2.87Å; L429-F432 HydrophobicContact CD1-CD1 4.04Å; L429-F432 PolarHBondContact O-N 2.87Å; L429-I433 HydrophobicContact CG-CD1 4.05Å; L429-I433 HydrophobicContact CG-CG1 4.45Å; L429-I433 WeakPolarHBondContact O-CG1 3.34Å; L429-I433 PolarHBondContact O-N 3.42Å; L429-A508 HydrophobicContact CD2-CB 3.71Å; L429-L616 HydrophobicContact CD1-CD1 3.57Å
430P87.8Confident86.9Confident53 Ų5325.8 Ų25.834%0.34414%0.14SC..Hα-helixtrans-60.7-37.5175.1-25.135.3000113.3L122 C426 V427 I433 R434L122-P430 HydrophobicContact CD1-CB 4.15Å; C426-P430 VanDerWaalsContact O-CD 3.26Å; C426-P430 WeakPolarHBondContact O-CD 3.31Å; V427-P430 WeakPolarHBondContact O-CD 3.38Å; P430-I433 PolarHBondContact O-N 2.85Å; P430-R434 WeakPolarHBondContact O-CB 3.43Å; P430-R434 PolarHBondContact O-N 3.24Å
431V89.3Confident86.8Confident12 Ų1225.4 Ų25.47%0.07314%0.135CC..Hα-helixtrans-63.1-46.6176.3-175.40000109.6L122 I124 E428 L429 R434 E435L122-V431 HydrophobicContact CB-CG2 4.23Å; I124-V431 HydrophobicContact CG1-CG1 4.36Å; E428-V431 WeakPolarHBondContact O-CB 3.35Å; E428-V431 PolarHBondContact O-N 3.42Å; L429-V431 VanDerWaalsContact C-N 3.31Å; L429-V431 PolarHBondContact O-N 2.87Å; V431-R434 PolarHBondContact O-N 3.45Å; V431-E435 WeakPolarHBondContact O-CG 3.39Å; V431-E435 PolarHBondContact O-N 2.86Å
432F90.9Very high86.7Confident0 Ų029.5 Ų29.50%015%0.151CC..Hα-helixtrans-62-45.5177.2167.5-105.3000112.4E428 L429 R434 E435 R436 V443 Y446 L616 V620E428-F432 PolarHBondContact O-N 3.48Å; E428-F432 VanDerWaalsContact O-N 3.15Å; L429-F432 HydrophobicContact CD1-CD1 4.04Å; L429-F432 PolarHBondContact O-N 2.87Å; F432-R434 VanDerWaalsContact C-N 3.28Å; F432-R434 PolarHBondContact O-N 2.9Å; F432-E435 PolarHBondContact O-N 3.35Å; F432-R436 HydrophobicContact CE2-CB 4.48Å; F432-R436 HydrophobicContact CZ-CB 4.37Å; F432-R436 WeakPolarHBondContact O-CB 3.18Å; F432-R436 PolarHBondContact O-N 3.08Å; F432-V443 HydrophobicContact CE1-CG1 4.44Å; F432-V443 HydrophobicContact CZ-CB 4.17Å; F432-V443 HydrophobicContact CZ-CG1 4.08Å; F432-V443 HydrophobicContact CZ-CG2 4.04Å; F432-Y446 HydrophobicContact CB-CD1 4.43Å; F432-Y446 HydrophobicContact CB-CD2 4.34Å; F432-Y446 HydrophobicContact CB-CE1 4.05Å; F432-Y446 HydrophobicContact CB-CE2 3.94Å; F432-Y446 AromaticContact CD1-CD1 3.92Å; F432-Y446 HydrophobicContact CD1-CD1 3.92Å; F432-Y446 AromaticContact CD1-CE1 3.9Å; F432-Y446 HydrophobicContact CD1-CE1 3.9Å; F432-Y446 AromaticContact CD2-CD1 3.51Å; F432-Y446 HydrophobicContact CD2-CD1 3.51Å; F432-Y446 AromaticContact CD2-CD2 3.6Å; F432-Y446 HydrophobicContact CD2-CD2 3.6Å; F432-Y446 AromaticContact CD2-CE1 4Å; F432-Y446 HydrophobicContact CD2-CE1 4Å; F432-Y446 HydrophobicContact CD2-CE2 4.08Å; F432-Y446 AromaticContact CD2-CG 3.28Å; F432-Y446 HydrophobicContact CD2-CG 3.28Å; F432-Y446 HydrophobicContact CE1-CD1 4.03Å; F432-Y446 HydrophobicContact CE1-CE1 4.4Å; F432-Y446 AromaticContact CE2-CD1 3.64Å; F432-Y446 HydrophobicContact CE2-CD1 3.64Å; F432-Y446 HydrophobicContact CE2-CD2 4.23Å; F432-Y446 HydrophobicContact CE2-CE1 4.49Å; F432-Y446 AromaticContact CE2-CG 3.48Å; F432-Y446 HydrophobicContact CE2-CG 3.48Å; F432-Y446 VanDerWaalsContact CE2-CG 3.48Å; F432-Y446 AromaticContact CG-CD1 3.65Å; F432-Y446 HydrophobicContact CG-CD1 3.65Å; F432-Y446 HydrophobicContact CG-CD2 4.1Å; F432-Y446 AromaticContact CG-CE1 3.67Å; F432-Y446 HydrophobicContact CG-CE1 3.67Å; F432-Y446 HydrophobicContact CG-CE2 4.12Å; F432-Y446 AromaticContact CG-CG 3.87Å; F432-Y446 HydrophobicContact CG-CG 3.87Å; F432-Y446 AromaticContact CG-CZ 3.91Å; F432-Y446 AromaticContact CZ-CD1 3.9Å; F432-Y446 HydrophobicContact CZ-CD1 3.9Å; F432-Y446 HydrophobicContact CZ-CG 4.2Å; F432-L616 HydrophobicContact CD1-CD1 4.33Å; F432-L616 HydrophobicContact CE1-CD1 3.96Å; F432-L616 HydrophobicContact CE1-CD2 4.22Å; F432-L616 HydrophobicContact CE1-CG 4.28Å; F432-V620 HydrophobicContact CE1-CG2 3.87Å; F432-V620 HydrophobicContact CZ-CG2 4.46Å
433I86.5Confident86.6Confident16 Ų1629.7 Ų29.78%0.08215%0.152CC..Hα-helixtrans-59.1-42.6178.1-69.6168.3000110.3L429 P430 R436 Q437 R619 Y623L429-I433 HydrophobicContact CG-CD1 4.05Å; L429-I433 HydrophobicContact CG-CG1 4.45Å; L429-I433 WeakPolarHBondContact O-CG1 3.34Å; L429-I433 PolarHBondContact O-N 3.42Å; P430-I433 PolarHBondContact O-N 2.85Å; I433-R436 WeakPolarHBondContact O-CB 3.14Å; I433-R436 PolarHBondContact O-N 3.04Å; I433-Q437 WeakPolarHBondContact O-CG 3.32Å; I433-Q437 PolarHBondContact O-N 3.41Å; I433-R619 HydrophobicContact CD1-CG 4.38Å; I433-Y623 HydrophobicContact CD1-CE2 4.44Å; I433-Y623 HydrophobicContact CG2-CD1 4.19Å; I433-Y623 HydrophobicContact CG2-CD2 4.3Å; I433-Y623 HydrophobicContact CG2-CE1 4.46Å; I433-Y623 HydrophobicContact CG2-CG 4.08Å
434R84.4Confident86.8Confident36 Ų3626.9 Ų26.914%0.13614%0.14CC..Hα-helixtrans-62.6-49.6175.9-174.1-163.969.4159.7-2.8112.1L122 P430 V431 F432 R436 Q437 S438L122-R434 PolarHBondContact O-NH1 2.95Å; L122-R434 VanDerWaalsContact O-NH1 3.14Å; L122-R434 PolarHBondContact O-NH2 2.91Å; P430-R434 WeakPolarHBondContact O-CB 3.43Å; P430-R434 PolarHBondContact O-N 3.24Å; V431-R434 PolarHBondContact O-N 3.45Å; F432-R434 VanDerWaalsContact C-N 3.28Å; F432-R434 PolarHBondContact O-N 2.9Å; R434-R436 PolarHBondContact O-N 3.41Å; R434-Q437 WeakPolarHBondContact O-CB 3.27Å; R434-Q437 PolarHBondContact O-N 2.81Å; R434-Q437 VanDerWaalsContact O-N 3.16Å; R434-S438 PolarHBondContact O-N 2.98Å
435E86.9Confident87.1Confident4 Ų425.4 Ų25.42%0.01913%0.131CC..Hα-helixtrans-60.1-37.6178.1-73.2-176.3155.700111.7Q136 R359 V431 F432 S438 N439 I440Q136-E435 PolarHBondContact NE2-OE1 3.23Å; R359-E435 IonicContact CZ-OE2 3.44Å; R359-E435 VanDerWaalsContact NH1-CD 3.26Å; R359-E435 IonicContact NH1-OE1 3.31Å; R359-E435 PolarHBondContact NH1-OE1 3.03Å; R359-E435 IonicContact NH1-OE2 2.88Å; R359-E435 PolarHBondContact NH1-OE2 2.71Å; R359-E435 IonicContact NH2-OE2 2.63Å; V431-E435 WeakPolarHBondContact O-CG 3.39Å; V431-E435 PolarHBondContact O-N 2.86Å; F432-E435 PolarHBondContact O-N 3.35Å; E435-S438 PolarHBondContact O-N 2.93Å; E435-N439 PolarHBondContact O-N 2.91Å; E435-I440 HydrophobicContact CB-CB 4.36Å; E435-I440 HydrophobicContact CB-CD1 4.26Å; E435-I440 HydrophobicContact CG-CD1 4.34Å; E435-I440 WeakPolarHBondContact O-CB 3.42Å; E435-I440 WeakPolarHBondContact O-CG1 3.32Å; E435-I440 PolarHBondContact O-N 2.72Å; E435-I440 VanDerWaalsContact O-N 3.09Å
436R83.6Confident87.3Confident33 Ų3325.4 Ų25.413%0.12513%0.131CC..Hα-helixtrans-63.9-41.7176.8178.757-177-176.63.7111.9Y345 F432 I433 R434 S438 N439 C441 V620 Y624Y345-R436 PolarHBondContact OH-NH1 3.1Å; Y345-R436 PolarHBondContact OH-NH2 3.41Å; Y345-R436 VanDerWaalsContact OH-NH2 3.12Å; F432-R436 HydrophobicContact CE2-CB 4.48Å; F432-R436 HydrophobicContact CZ-CB 4.37Å; F432-R436 WeakPolarHBondContact O-CB 3.18Å; F432-R436 PolarHBondContact O-N 3.08Å; I433-R436 WeakPolarHBondContact O-CB 3.14Å; I433-R436 PolarHBondContact O-N 3.04Å; R434-R436 PolarHBondContact O-N 3.41Å; R436-S438 PolarHBondContact O-N 3.17Å; R436-N439 WeakPolarHBondContact O-CA 3.43Å; R436-N439 PolarHBondContact O-N 3.23Å; R436-C441 VanDerWaalsContact CD-O 3.29Å; R436-C441 WeakPolarHBondContact CD-O 3.25Å; R436-C441 PolarHBondContact NH1-O 3.15Å; R436-V620 HydrophobicContact CG-CG1 3.51Å; R436-V620 HydrophobicContact CG-CG2 4.29Å; R436-Y624 HydrophobicContact CG-CE2 4.31Å; R436-Y624 PolarHBondContact O-OH 3.08Å
437Q76.4Confident87.5Confident49 Ų4925.8 Ų25.823%0.22913%0.132CC..Hα-helixtrans-59.4-30.5176.3-75.8175.8-800113.4I433 R434 N439 Y624I433-Q437 WeakPolarHBondContact O-CG 3.32Å; I433-Q437 PolarHBondContact O-N 3.41Å; R434-Q437 WeakPolarHBondContact O-CB 3.27Å; R434-Q437 PolarHBondContact O-N 2.81Å; R434-Q437 VanDerWaalsContact O-N 3.16Å; Q437-N439 VanDerWaalsContact C-N 3.26Å; Q437-Y624 VanDerWaalsContact C-OH 3.31Å; Q437-Y624 VanDerWaalsContact CA-OH 3.25Å; Q437-Y624 WeakPolarHBondContact CA-OH 3.44Å; Q437-Y624 HydrophobicContact CB-CE2 4.5Å; Q437-Y624 HydrophobicContact CG-CE2 4.19Å; Q437-Y624 PolarHBondContact O-OH 2.63Å
438S76.1Confident87.9Confident29 Ų2924.5 Ų24.520%0.20312%0.121CC..THydrogen-bonded Turntrans-88.413.9173.7-640000113.1R88 R434 E435 R436 I440R88-S438 PolarHBondContact NH2-OG 3.44Å; R88-S438 VanDerWaalsContact NH2-OG 3.08Å; R434-S438 PolarHBondContact O-N 2.98Å; E435-S438 PolarHBondContact O-N 2.93Å; R436-S438 PolarHBondContact O-N 3.17Å; S438-I440 PolarHBondContact O-N 3.4Å; S438-I440 VanDerWaalsContact O-N 3.16Å
439N78.4Confident88.2Confident49 Ų4923.9 Ų23.926%0.26212%0.118SC..THydrogen-bonded Turntrans5428.2-178.8-66-46.8000114.5Y345 E435 R436 Q437 Y624Y345-N439 VanDerWaalsContact CD1-O 3.23Å; Y345-N439 WeakPolarHBondContact CD1-O 3.49Å; Y345-N439 HydrophobicContact CE1-CB 4.47Å; Y345-N439 WeakPolarHBondContact CE1-O 3.4Å; E435-N439 PolarHBondContact O-N 2.91Å; R436-N439 WeakPolarHBondContact O-CA 3.43Å; R436-N439 PolarHBondContact O-N 3.23Å; Q437-N439 VanDerWaalsContact C-N 3.26Å; N439-Y624 PolarHBondContact OD1-OH 3.41Å
440I83.8Confident88.3Confident7 Ų724 Ų244%0.03612%0.119CC..  trans-74.9-44-174.7-60.7172.4000111.3L139 R140 E435 S438L139-I440 HydrophobicContact CB-CG2 3.59Å; L139-I440 HydrophobicContact CD1-CG2 3.95Å; L139-I440 HydrophobicContact CG-CG2 4.4Å; R140-I440 HydrophobicContact CG-CB 4.44Å; R140-I440 HydrophobicContact CG-CD1 4.44Å; R140-I440 HydrophobicContact CG-CG1 3.99Å; R140-I440 HydrophobicContact CG-CG2 3.9Å; E435-I440 HydrophobicContact CB-CB 4.36Å; E435-I440 HydrophobicContact CB-CD1 4.26Å; E435-I440 HydrophobicContact CG-CD1 4.34Å; E435-I440 WeakPolarHBondContact O-CB 3.42Å; E435-I440 WeakPolarHBondContact O-CG1 3.32Å; E435-I440 PolarHBondContact O-N 2.72Å; E435-I440 VanDerWaalsContact O-N 3.09Å; S438-I440 PolarHBondContact O-N 3.4Å; S438-I440 VanDerWaalsContact O-N 3.16Å
441C87Confident88.6Confident0 Ų022.3 Ų22.30%011%0.108CC..SBendtrans-133153.2-172.858.90000112.3L356 R436L356-C441 HydrophobicContact CD1-CB 4.02Å; R436-C441 VanDerWaalsContact CD-O 3.29Å; R436-C441 WeakPolarHBondContact CD-O 3.25Å; R436-C441 PolarHBondContact NH1-O 3.15Å
442R90.2Very high88.8Confident90 Ų9025.3 Ų25.334%0.3412%0.123SC..  trans-86.4152.3172.4-57.3166.757.1101.3-1.5112.3Y345 Q352 D444 T445 Y446Y345-R442 HydrophobicContact CD1-CG 4.24Å; Y345-R442 HydrophobicContact CD2-CG 4.02Å; Y345-R442 HydrophobicContact CE1-CG 3.99Å; Y345-R442 HydrophobicContact CE2-CG 3.73Å; Y345-R442 HydrophobicContact CG-CG 4.3Å; Q352-R442 VanDerWaalsContact OE1-CG 3.31Å; Q352-R442 VanDerWaalsContact OE1-N 3.1Å; R442-D444 WeakPolarHBondContact CB-OD1 3.34Å; R442-D444 IonicContact CZ-OD1 2.72Å; R442-D444 IonicContact CZ-OD2 3.7Å; R442-D444 IonicContact NE-OD1 2.72Å; R442-D444 PolarHBondContact NE-OD1 3.45Å; R442-D444 IonicContact NE-OD2 2.7Å; R442-D444 PolarHBondContact NE-OD2 2.97Å; R442-D444 IonicContact NH2-OD1 2.81Å; R442-D444 IonicContact NH2-OD2 2.91Å; R442-D444 PolarHBondContact NH2-OD2 3.08Å; R442-T445 HydrophobicContact CB-CG2 4.24Å; R442-T445 WeakPolarHBondContact CB-OG1 3.38Å; R442-T445 PolarHBondContact N-OG1 2.68Å; R442-T445 PolarHBondContact O-OG1 3.31Å; R442-Y446 PolarHBondContact O-N 3.05Å; R442-Y446 VanDerWaalsContact O-N 3.12Å
443V92.6Very high88.9Confident4 Ų425.9 Ų25.92%0.02413%0.127CC..Hα-helixtrans-68.1-43-177.4-171.70000111.2F432 Y446 Y447 F613 L616 L617 V620F432-V443 HydrophobicContact CE1-CG1 4.44Å; F432-V443 HydrophobicContact CZ-CB 4.17Å; F432-V443 HydrophobicContact CZ-CG1 4.08Å; F432-V443 HydrophobicContact CZ-CG2 4.04Å; V443-Y446 PolarHBondContact O-N 2.83Å; V443-Y447 VanDerWaalsContact O-CB 3.3Å; V443-Y447 WeakPolarHBondContact O-CB 3.43Å; V443-Y447 PolarHBondContact O-N 3.06Å; V443-F613 HydrophobicContact CG1-CE2 4.15Å; V443-L616 HydrophobicContact CG1-CB 4.46Å; V443-L616 HydrophobicContact CG1-CD2 3.63Å; V443-L616 HydrophobicContact CG1-CG 3.68Å; V443-L617 HydrophobicContact CB-CD2 3.88Å; V443-L617 HydrophobicContact CG1-CD2 3.92Å; V443-L617 HydrophobicContact CG1-CG 4.39Å; V443-L617 HydrophobicContact CG2-CD2 4.03Å; V443-V620 HydrophobicContact CG2-CB 4.45Å; V443-V620 HydrophobicContact CG2-CG1 4.19Å; V443-V620 HydrophobicContact CG2-CG2 4.2Å
444D94.3Very high89.1Confident32 Ų3225.5 Ų25.517%0.17112%0.124CC..Hα-helixtrans-60.4-49.3175.154.1-16.8000111.6W349 R442 Y446 Y447 L448 F613W349-D444 PolarHBondContact NE1-OD2 2.85Å; W349-D444 VanDerWaalsContact NE1-OD2 3.14Å; R442-D444 WeakPolarHBondContact CB-OD1 3.34Å; R442-D444 IonicContact CZ-OD1 2.72Å; R442-D444 IonicContact CZ-OD2 3.7Å; R442-D444 IonicContact NE-OD1 2.72Å; R442-D444 PolarHBondContact NE-OD1 3.45Å; R442-D444 IonicContact NE-OD2 2.7Å; R442-D444 PolarHBondContact NE-OD2 2.97Å; R442-D444 IonicContact NH2-OD1 2.81Å; R442-D444 IonicContact NH2-OD2 2.91Å; R442-D444 PolarHBondContact NH2-OD2 3.08Å; D444-Y446 VanDerWaalsContact C-N 3.34Å; D444-Y446 PolarHBondContact O-N 2.9Å; D444-Y447 PolarHBondContact O-N 2.88Å; D444-L448 WeakPolarHBondContact O-CB 3.47Å; D444-L448 WeakPolarHBondContact O-CG 3.41Å; D444-L448 PolarHBondContact O-N 2.94Å; D444-F613 HydrophobicContact CB-CE2 4.17Å; D444-F613 HydrophobicContact CB-CZ 4.13Å
445T94.2Very high89.5Confident0 Ų026.5 Ų26.50%013%0.132CC..Hα-helixtrans-62.1-41.1-179.954.20000112.2W349 Q352 F353 R442 S449W349-T445 HydrophobicContact CD2-CG2 4.11Å; W349-T445 HydrophobicContact CG-CG2 3.94Å; W349-T445 HydrophobicContact CZ2-CG2 4.47Å; Q352-T445 HydrophobicContact CB-CG2 4.03Å; F353-T445 HydrophobicContact CB-CG2 4.37Å; R442-T445 HydrophobicContact CB-CG2 4.24Å; R442-T445 WeakPolarHBondContact CB-OG1 3.38Å; R442-T445 PolarHBondContact N-OG1 2.68Å; R442-T445 PolarHBondContact O-OG1 3.31Å; T445-S449 WeakPolarHBondContact O-CB 3.47Å; T445-S449 PolarHBondContact O-N 2.62Å; T445-S449 VanDerWaalsContact O-N 3.1Å; T445-S449 PolarHBondContact O-OG 3.07Å
446Y94.7Very high89.8Confident1 Ų129.9 Ų29.90%0.00415%0.154CC..Hα-helixtrans-64.8-54.2176168.6-102.4000111.2F425 E428 F432 R442 V443 D444 L448 S449 K450 L616F425-Y446 AromaticContact CE2-CE1 3.99Å; F425-Y446 HydrophobicContact CE2-CE1 3.99Å; F425-Y446 HydrophobicContact CZ-CE1 4.06Å; E428-Y446 HydrophobicContact CG-CE2 4.48Å; F432-Y446 HydrophobicContact CB-CD1 4.43Å; F432-Y446 HydrophobicContact CB-CD2 4.34Å; F432-Y446 HydrophobicContact CB-CE1 4.05Å; F432-Y446 HydrophobicContact CB-CE2 3.94Å; F432-Y446 AromaticContact CD1-CD1 3.92Å; F432-Y446 HydrophobicContact CD1-CD1 3.92Å; F432-Y446 AromaticContact CD1-CE1 3.9Å; F432-Y446 HydrophobicContact CD1-CE1 3.9Å; F432-Y446 AromaticContact CD2-CD1 3.51Å; F432-Y446 HydrophobicContact CD2-CD1 3.51Å; F432-Y446 AromaticContact CD2-CD2 3.6Å; F432-Y446 HydrophobicContact CD2-CD2 3.6Å; F432-Y446 AromaticContact CD2-CE1 4Å; F432-Y446 HydrophobicContact CD2-CE1 4Å; F432-Y446 HydrophobicContact CD2-CE2 4.08Å; F432-Y446 AromaticContact CD2-CG 3.28Å; F432-Y446 HydrophobicContact CD2-CG 3.28Å; F432-Y446 HydrophobicContact CE1-CD1 4.03Å; F432-Y446 HydrophobicContact CE1-CE1 4.4Å; F432-Y446 AromaticContact CE2-CD1 3.64Å; F432-Y446 HydrophobicContact CE2-CD1 3.64Å; F432-Y446 HydrophobicContact CE2-CD2 4.23Å; F432-Y446 HydrophobicContact CE2-CE1 4.49Å; F432-Y446 AromaticContact CE2-CG 3.48Å; F432-Y446 HydrophobicContact CE2-CG 3.48Å; F432-Y446 VanDerWaalsContact CE2-CG 3.48Å; F432-Y446 AromaticContact CG-CD1 3.65Å; F432-Y446 HydrophobicContact CG-CD1 3.65Å; F432-Y446 HydrophobicContact CG-CD2 4.1Å; F432-Y446 AromaticContact CG-CE1 3.67Å; F432-Y446 HydrophobicContact CG-CE1 3.67Å; F432-Y446 HydrophobicContact CG-CE2 4.12Å; F432-Y446 AromaticContact CG-CG 3.87Å; F432-Y446 HydrophobicContact CG-CG 3.87Å; F432-Y446 AromaticContact CG-CZ 3.91Å; F432-Y446 AromaticContact CZ-CD1 3.9Å; F432-Y446 HydrophobicContact CZ-CD1 3.9Å; F432-Y446 HydrophobicContact CZ-CG 4.2Å; R442-Y446 PolarHBondContact O-N 3.05Å; R442-Y446 VanDerWaalsContact O-N 3.12Å; V443-Y446 PolarHBondContact O-N 2.83Å; D444-Y446 VanDerWaalsContact C-N 3.34Å; D444-Y446 PolarHBondContact O-N 2.9Å; Y446-L448 PolarHBondContact O-N 3.14Å; Y446-S449 PolarHBondContact O-N 3.1Å; Y446-S449 PolarHBondContact O-OG 3.19Å; Y446-K450 PolarHBondContact O-N 3.35Å; Y446-L616 HydrophobicContact CD1-CD2 4.33Å
447Y95.1Very high90.1Very high11 Ų1129.8 Ų29.84%0.04316%0.155CC..Hα-helixtrans-59.9-44.8-174.7-170.8-93.1000112.4F425 V443 D444 T451 Y501 R609 S612 F613 L616F425-Y447 HydrophobicContact CZ-CD2 4.47Å; V443-Y447 VanDerWaalsContact O-CB 3.3Å; V443-Y447 WeakPolarHBondContact O-CB 3.43Å; V443-Y447 PolarHBondContact O-N 3.06Å; D444-Y447 PolarHBondContact O-N 2.88Å; Y447-T451 WeakPolarHBondContact O-CB 3.25Å; Y447-T451 PolarHBondContact O-N 3.38Å; Y447-T451 PolarHBondContact O-OG1 3.18Å; Y447-Y501 AromaticContact CE2-CD1 3.85Å; Y447-Y501 HydrophobicContact CE2-CD1 3.85Å; Y447-Y501 HydrophobicContact CE2-CE1 4.27Å; Y447-R609 WeakPolarHBondContact OH-CD 3.43Å; Y447-R609 PolarHBondContact OH-O 2.92Å; Y447-S612 WeakPolarHBondContact CE2-OG 3.33Å; Y447-S612 VanDerWaalsContact OH-CB 3.25Å; Y447-S612 WeakPolarHBondContact OH-CB 3.44Å; Y447-S612 PolarHBondContact OH-OG 3.41Å; Y447-S612 VanDerWaalsContact OH-OG 3.04Å; Y447-F613 HydrophobicContact CD1-CB 4.39Å; Y447-F613 HydrophobicContact CD1-CD2 4.06Å; Y447-F613 HydrophobicContact CE1-CB 4.22Å; Y447-F613 AromaticContact CG-CD2 3.97Å; Y447-F613 HydrophobicContact CG-CD2 3.97Å; Y447-L616 HydrophobicContact CD2-CD2 3.77Å; Y447-L616 HydrophobicContact CG-CD2 4.49Å
448L95.4Very high90.8Very high73 Ų7327.8 Ų27.838%0.38215%0.146SC..Hα-helixtrans-67.1-44.4177.8-69.6171.1000111.7W349 F353 D444 Y446 K450 T451 L452W349-L448 HydrophobicContact CZ2-CD1 3.96Å; F353-L448 HydrophobicContact CD2-CB 4.4Å; F353-L448 HydrophobicContact CE2-CB 4.01Å; D444-L448 WeakPolarHBondContact O-CB 3.47Å; D444-L448 WeakPolarHBondContact O-CG 3.41Å; D444-L448 PolarHBondContact O-N 2.94Å; Y446-L448 PolarHBondContact O-N 3.14Å; L448-K450 VanDerWaalsContact C-N 3.33Å; L448-K450 PolarHBondContact O-N 3.22Å; L448-T451 PolarHBondContact O-N 3.27Å; L448-L452 WeakPolarHBondContact O-CB 3.35Å; L448-L452 VanDerWaalsContact O-CG 3.26Å; L448-L452 WeakPolarHBondContact O-CG 3.24Å; L448-L452 PolarHBondContact O-N 3.39Å
449S95.3Very high91.7Very high2 Ų230 Ų301%0.01415%0.154CC..Hα-helixtrans-60.6-43.6-179.767.80000112.1L356 T445 Y446 V453L356-S449 WeakPolarHBondContact CB-OG 3.42Å; T445-S449 WeakPolarHBondContact O-CB 3.47Å; T445-S449 PolarHBondContact O-N 2.62Å; T445-S449 VanDerWaalsContact O-N 3.1Å; T445-S449 PolarHBondContact O-OG 3.07Å; Y446-S449 PolarHBondContact O-N 3.1Å; Y446-S449 PolarHBondContact O-OG 3.19Å; S449-V453 WeakPolarHBondContact O-CG2 3.48Å; S449-V453 PolarHBondContact O-N 3.2Å
450K92.5Very high92.5Very high2 Ų231.2 Ų31.21%0.00916%0.163CC..Hα-helixtrans-64.4-48.4177.8-172.763.8173.4-177.80111.2S360 F425 E428 Y446 L448 L452 V453 E454S360-K450 WeakPolarHBondContact OG-CD 3.42Å; F425-K450 HydrophobicContact CD2-CG 4.21Å; F425-K450 HydrophobicContact CE2-CG 4.31Å; E428-K450 VanDerWaalsContact OE2-CE 3.28Å; E428-K450 WeakPolarHBondContact OE2-CE 3.04Å; E428-K450 IonicContact OE2-NZ 3.83Å; E428-K450 PolarHBondContact OE2-NZ 3.21Å; Y446-K450 PolarHBondContact O-N 3.35Å; L448-K450 VanDerWaalsContact C-N 3.33Å; L448-K450 PolarHBondContact O-N 3.22Å; K450-L452 PolarHBondContact O-N 2.98Å; K450-V453 PolarHBondContact O-N 3.21Å; K450-E454 WeakPolarHBondContact CE-OE1 3.46Å; K450-E454 IonicContact NZ-OE1 2.75Å; K450-E454 PolarHBondContact NZ-OE1 2.87Å; K450-E454 PolarHBondContact O-N 2.73Å
451T92.4Very high93Very high19 Ų1931.8 Ų31.812%0.11717%0.165CC..Hα-helixtrans-58.9-47-180-610000111.7Y447 L448 E454 I455 R609Y447-T451 WeakPolarHBondContact O-CB 3.25Å; Y447-T451 PolarHBondContact O-N 3.38Å; Y447-T451 PolarHBondContact O-OG1 3.18Å; L448-T451 PolarHBondContact O-N 3.27Å; T451-E454 PolarHBondContact O-N 3.49Å; T451-I455 WeakPolarHBondContact O-CG1 3.2Å; T451-I455 PolarHBondContact O-N 3.47Å; T451-R609 PolarHBondContact OG1-NH1 2.86Å; T451-R609 VanDerWaalsContact OG1-NH1 3.12Å
452L94.3Very high93.4Very high75 Ų7531.8 Ų31.839%0.39317%0.165SC..Hα-helixtrans-70.9-34.6-175-69.5170.7000113.2F353 F357 L448 K450 E454 I455F353-L452 HydrophobicContact CE2-CD1 3.87Å; F353-L452 HydrophobicContact CZ-CD1 3.56Å; F357-L452 HydrophobicContact CD2-CB 4.31Å; F357-L452 HydrophobicContact CE2-CB 3.85Å; L448-L452 WeakPolarHBondContact O-CB 3.35Å; L448-L452 VanDerWaalsContact O-CG 3.26Å; L448-L452 WeakPolarHBondContact O-CG 3.24Å; L448-L452 PolarHBondContact O-N 3.39Å; K450-L452 PolarHBondContact O-N 2.98Å; L452-E454 VanDerWaalsContact C-N 3.25Å; L452-E454 PolarHBondContact O-N 2.94Å; L452-I455 HydrophobicContact CD2-CD1 3.73Å
453V93.4Very high93.7Very high12 Ų1228.7 Ų28.77%0.07316%0.157CC..Hα-helixtrans-65.6-30.4177.6164.10000112.3F357 S449 K450 P456F357-V453 HydrophobicContact CD1-CG2 4.12Å; F357-V453 HydrophobicContact CD2-CG2 3.57Å; F357-V453 HydrophobicContact CE1-CG2 4.03Å; F357-V453 HydrophobicContact CE2-CG2 3.48Å; F357-V453 VanDerWaalsContact CE2-CG2 3.48Å; F357-V453 HydrophobicContact CG-CG2 3.89Å; F357-V453 HydrophobicContact CZ-CG2 3.72Å; F357-V453 WeakPolarHBondContact O-CG2 3.38Å; S449-V453 WeakPolarHBondContact O-CG2 3.48Å; S449-V453 PolarHBondContact O-N 3.2Å; K450-V453 PolarHBondContact O-N 3.21Å; V453-P456 WeakPolarHBondContact O-CD 3.41Å
454E90.7Very high93.8Very high7 Ų730.7 Ų30.73%0.03317%0.169CC..Hα-helixtrans-88.2-16.5-175.6-64.8177.2156.800113.2K450 T451 L452 P456 Q457 Y458 Y501K450-E454 WeakPolarHBondContact CE-OE1 3.46Å; K450-E454 IonicContact NZ-OE1 2.75Å; K450-E454 PolarHBondContact NZ-OE1 2.87Å; K450-E454 PolarHBondContact O-N 2.73Å; T451-E454 PolarHBondContact O-N 3.49Å; L452-E454 VanDerWaalsContact C-N 3.25Å; L452-E454 PolarHBondContact O-N 2.94Å; E454-P456 VanDerWaalsContact C-CD 3.47Å; E454-Q457 WeakPolarHBondContact O-CB 3.45Å; E454-Q457 PolarHBondContact O-N 3.03Å; E454-Y458 HydrophobicContact CB-CD2 4.28Å; E454-Y458 HydrophobicContact CB-CE1 4.37Å; E454-Y458 HydrophobicContact CB-CE2 3.44Å; E454-Y458 VanDerWaalsContact CB-CE2 3.44Å; E454-Y458 WeakPolarHBondContact O-CD2 3.23Å; E454-Y458 PolarHBondContact O-N 3.32Å; E454-Y458 PolarHBondContact OE2-OH 2.86Å; E454-Y501 PolarHBondContact OE2-OH 2.85Å
455I92.1Very high94Very high57 Ų5729.4 Ų29.429%0.29216%0.162SC..Hα-helixtrans-48.6-46.6178.7-73.7174.3000113.3T451 L452 Q457 Y458 I459T451-I455 WeakPolarHBondContact O-CG1 3.2Å; T451-I455 PolarHBondContact O-N 3.47Å; L452-I455 HydrophobicContact CD2-CD1 3.73Å; I455-Q457 PolarHBondContact O-N 3.24Å; I455-Y458 CarbonylContact O-C 3.53Å; I455-Y458 WeakPolarHBondContact O-CA 3.29Å; I455-Y458 PolarHBondContact O-N 2.98Å; I455-I459 HydrophobicContact CG2-CD1 3.68Å; I455-I459 HydrophobicContact CG2-CG1 4.32Å; I455-I459 WeakPolarHBondContact O-CG1 3.38Å; I455-I459 PolarHBondContact O-N 3.46Å; I455-I459 VanDerWaalsContact O-N 3.09Å
456P92.8Very high94.1Very high76 Ų7629.4 Ų29.449%0.49416%0.162SC..Hα-helixtrans-56-36.4178.6-27.236.1000113.3V453 E454 Y458 I459 V460V453-P456 WeakPolarHBondContact O-CD 3.41Å; E454-P456 VanDerWaalsContact C-CD 3.47Å; P456-Y458 VanDerWaalsContact C-N 3.35Å; P456-I459 PolarHBondContact O-N 2.88Å; P456-V460 WeakPolarHBondContact O-CB 3.49Å; P456-V460 VanDerWaalsContact O-CG2 3.27Å; P456-V460 WeakPolarHBondContact O-CG2 3.33Å; P456-V460 PolarHBondContact O-N 3.44Å
457Q90.4Very high94.2Very high31 Ų3131.8 Ų31.815%0.14518%0.177CC..Hα-helixtrans-68.7-37.2177.4-59.9179.115.500111.4E454 I455 I459 Y461E454-Q457 WeakPolarHBondContact O-CB 3.45Å; E454-Q457 PolarHBondContact O-N 3.03Å; I455-Q457 PolarHBondContact O-N 3.24Å; Q457-I459 PolarHBondContact O-N 2.89Å; Q457-Y461 HydrophobicContact CB-CD2 4.05Å; Q457-Y461 HydrophobicContact CB-CE2 3.76Å; Q457-Y461 HydrophobicContact CG-CE2 4.23Å; Q457-Y461 WeakPolarHBondContact O-CB 3.29Å; Q457-Y461 VanDerWaalsContact O-CD2 3.31Å; Q457-Y461 WeakPolarHBondContact O-CD2 3.31Å; Q457-Y461 PolarHBondContact O-N 2.96Å
458Y92Very high94.3Very high7 Ų733 Ų333%0.02718%0.184CC..Hα-helixtrans-75.5-4.7177.1-49.8-33.6000113.7F417 V421 E454 I455 P456 P462 V497F417-Y458 AromaticContact CD1-CD1 3.68Å; F417-Y458 HydrophobicContact CD1-CD1 3.68Å; F417-Y458 HydrophobicContact CD1-CE1 4.16Å; F417-Y458 AromaticContact CE1-CD1 3.81Å; F417-Y458 HydrophobicContact CE1-CD1 3.81Å; V421-Y458 WeakPolarHBondContact CG2-OH 3.48Å; E454-Y458 HydrophobicContact CB-CD2 4.28Å; E454-Y458 HydrophobicContact CB-CE1 4.37Å; E454-Y458 HydrophobicContact CB-CE2 3.44Å; E454-Y458 VanDerWaalsContact CB-CE2 3.44Å; E454-Y458 WeakPolarHBondContact O-CD2 3.23Å; E454-Y458 PolarHBondContact O-N 3.32Å; E454-Y458 PolarHBondContact OE2-OH 2.86Å; I455-Y458 CarbonylContact O-C 3.53Å; I455-Y458 WeakPolarHBondContact O-CA 3.29Å; I455-Y458 PolarHBondContact O-N 2.98Å; P456-Y458 VanDerWaalsContact C-N 3.35Å; Y458-P462 WeakPolarHBondContact O-CD 3.41Å; Y458-P462 VanDerWaalsContact O-CG 3.29Å; Y458-P462 WeakPolarHBondContact O-CG 3.41Å; Y458-V497 HydrophobicContact CD1-CG2 3.65Å; Y458-V497 HydrophobicContact CD2-CG1 4Å; Y458-V497 HydrophobicContact CD2-CG2 3.99Å; Y458-V497 HydrophobicContact CE1-CG1 4.33Å; Y458-V497 HydrophobicContact CE1-CG2 3.62Å; Y458-V497 HydrophobicContact CE2-CB 4.34Å; Y458-V497 HydrophobicContact CE2-CG1 3.44Å; Y458-V497 VanDerWaalsContact CE2-CG1 3.44Å; Y458-V497 HydrophobicContact CE2-CG2 3.97Å; Y458-V497 HydrophobicContact CG-CG2 3.83Å
459I95.1Very high94.4Very high74 Ų7429.6 Ų29.638%0.37917%0.166SC..Hα-helixtrans-102.2-50.3170-64.5170.5000109.3I455 P456 Q457 P462 S463 I490I455-I459 HydrophobicContact CG2-CD1 3.68Å; I455-I459 HydrophobicContact CG2-CG1 4.32Å; I455-I459 WeakPolarHBondContact O-CG1 3.38Å; I455-I459 PolarHBondContact O-N 3.46Å; I455-I459 VanDerWaalsContact O-N 3.09Å; P456-I459 PolarHBondContact O-N 2.88Å; Q457-I459 PolarHBondContact O-N 2.89Å; I459-P462 WeakPolarHBondContact O-CD 3.28Å; I459-S463 WeakPolarHBondContact O-CB 3.45Å; I459-S463 PolarHBondContact O-N 3.43Å; I459-S463 VanDerWaalsContact O-N 3.07Å; I459-S463 PolarHBondContact O-OG 3.34Å; I459-I490 HydrophobicContact CG1-CG2 4.24Å; I459-I490 HydrophobicContact CG2-CD1 4.24Å
460V94.1Very high94.4Very high75 Ų7529.6 Ų29.646%0.45517%0.166SC..Hα-helixtrans-65.8-47.9-174.3172.40000112P456 S463 V464P456-V460 WeakPolarHBondContact O-CB 3.49Å; P456-V460 VanDerWaalsContact O-CG2 3.27Å; P456-V460 WeakPolarHBondContact O-CG2 3.33Å; P456-V460 PolarHBondContact O-N 3.44Å; V460-S463 PolarHBondContact O-N 2.84Å; V460-V464 HydrophobicContact CG1-CG2 4.33Å; V460-V464 WeakPolarHBondContact O-CG2 3.3Å; V460-V464 PolarHBondContact O-N 2.97Å
461Y93.7Very high94.6Very high20 Ų2035.7 Ų35.78%0.07819%0.189CC..Hα-helixtrans-66-47.9-175.7-61.8-32.7000113.1L371 R374 L375 F417 Q457 S463 V464 F465L371-Y461 WeakPolarHBondContact CD2-OH 3.17Å; L371-Y461 PolarHBondContact O-OH 3.24Å; R374-Y461 HydrophobicContact CB-CE2 4.09Å; L375-Y461 HydrophobicContact CB-CE1 4.29Å; L375-Y461 HydrophobicContact CD1-CD1 4.34Å; L375-Y461 HydrophobicContact CD1-CE1 4.11Å; F417-Y461 HydrophobicContact CE1-CD2 4.45Å; Q457-Y461 HydrophobicContact CB-CD2 4.05Å; Q457-Y461 HydrophobicContact CB-CE2 3.76Å; Q457-Y461 HydrophobicContact CG-CE2 4.23Å; Q457-Y461 WeakPolarHBondContact O-CB 3.29Å; Q457-Y461 VanDerWaalsContact O-CD2 3.31Å; Q457-Y461 WeakPolarHBondContact O-CD2 3.31Å; Q457-Y461 PolarHBondContact O-N 2.96Å; Y461-S463 PolarHBondContact O-N 3.47Å; Y461-V464 PolarHBondContact O-N 2.82Å; Y461-F465 WeakPolarHBondContact O-CB 3.13Å; Y461-F465 PolarHBondContact O-N 3.44Å
462P95.5Very high94.8Very high0 Ų036.7 Ų36.70%019%0.193CC..Hα-helixtrans-59.4-38.7171.9-26.639.5000112M413 F417 Y458 I459 V464 F465 T466 I490 A493M413-P462 HydrophobicContact SD-CB 3.59Å; M413-P462 VanDerWaalsContact SD-CB 3.59Å; M413-P462 HydrophobicContact SD-CG 3.91Å; F417-P462 HydrophobicContact CE1-CG 4.13Å; F417-P462 HydrophobicContact CE2-CG 3.88Å; F417-P462 VanDerWaalsContact CZ-CD 3.49Å; F417-P462 HydrophobicContact CZ-CG 3.43Å; F417-P462 VanDerWaalsContact CZ-CG 3.43Å; Y458-P462 WeakPolarHBondContact O-CD 3.41Å; Y458-P462 VanDerWaalsContact O-CG 3.29Å; Y458-P462 WeakPolarHBondContact O-CG 3.41Å; I459-P462 WeakPolarHBondContact O-CD 3.28Å; P462-V464 PolarHBondContact O-N 2.96Å; P462-F465 PolarHBondContact O-N 3.42Å; P462-T466 WeakPolarHBondContact O-CB 3.36Å; P462-T466 PolarHBondContact O-N 3.25Å; P462-T466 PolarHBondContact O-OG1 2.84Å; P462-T466 VanDerWaalsContact O-OG1 3.07Å; P462-I490 HydrophobicContact CB-CG1 4.04Å; P462-A493 HydrophobicContact CB-CB 4.31Å; P462-A493 HydrophobicContact CG-CB 3.51Å
463S96.4Very high94.8Very high25 Ų2533.1 Ų33.118%0.17517%0.174CC..Hα-helixtrans-62.7-46.4-178.7-62.70000112.3I459 V460 Y461 T467I459-S463 WeakPolarHBondContact O-CB 3.45Å; I459-S463 PolarHBondContact O-N 3.43Å; I459-S463 VanDerWaalsContact O-N 3.07Å; I459-S463 PolarHBondContact O-OG 3.34Å; V460-S463 PolarHBondContact O-N 2.84Å; Y461-S463 PolarHBondContact O-N 3.47Å; S463-T467 VanDerWaalsContact O-CB 3.25Å; S463-T467 WeakPolarHBondContact O-CB 3.48Å; S463-T467 PolarHBondContact O-N 3.04Å; S463-T467 PolarHBondContact O-OG1 3.49Å
464V96.4Very high94.6Very high45 Ų4533.8 Ų33.827%0.27318%0.183SC..Hα-helixtrans-62.6-48.5176.8172.70000110.2V379 V460 Y461 P462 T467 I468V379-V464 HydrophobicContact CG2-CG1 3.98Å; V460-V464 HydrophobicContact CG1-CG2 4.33Å; V460-V464 WeakPolarHBondContact O-CG2 3.3Å; V460-V464 PolarHBondContact O-N 2.97Å; Y461-V464 PolarHBondContact O-N 2.82Å; P462-V464 PolarHBondContact O-N 2.96Å; V464-T467 PolarHBondContact O-N 2.74Å; V464-I468 HydrophobicContact CG1-CD1 3.86Å; V464-I468 WeakPolarHBondContact O-CG1 3.43Å; V464-I468 PolarHBondContact O-N 2.88Å; V464-I468 VanDerWaalsContact O-N 3.13Å
465F97.1Very high94.7Very high5 Ų533.8 Ų33.82%0.02218%0.183CC..Hα-helixtrans-59.7-52.1-178.8-169.6-74.7000111.9I381 P382 I385 L409 N412 M413 Y461 P462 T467 I468 V469I381-F465 HydrophobicContact CB-CE2 4.2Å; I381-F465 HydrophobicContact CG2-CE2 3.91Å; I381-F465 HydrophobicContact CG2-CZ 4.17Å; P382-F465 HydrophobicContact CB-CD1 4.15Å; P382-F465 HydrophobicContact CB-CD2 3.88Å; P382-F465 HydrophobicContact CB-CE1 4.18Å; P382-F465 HydrophobicContact CB-CE2 3.93Å; P382-F465 HydrophobicContact CB-CG 3.99Å; P382-F465 HydrophobicContact CB-CZ 4.07Å; P382-F465 HydrophobicContact CG-CB 4.5Å; P382-F465 HydrophobicContact CG-CD2 3.65Å; P382-F465 HydrophobicContact CG-CE2 3.96Å; P382-F465 HydrophobicContact CG-CG 4.04Å; I385-F465 HydrophobicContact CD1-CZ 3.85Å; L409-F465 HydrophobicContact CD2-CD1 3.84Å; L409-F465 HydrophobicContact CD2-CE1 3.84Å; N412-F465 HydrophobicContact CB-CE1 4.13Å; N412-F465 HydrophobicContact CB-CE2 4.14Å; N412-F465 HydrophobicContact CB-CZ 3.67Å; M413-F465 HydrophobicContact CE-CB 3.91Å; M413-F465 HydrophobicContact CE-CD1 3.6Å; M413-F465 HydrophobicContact CE-CD2 4.39Å; M413-F465 HydrophobicContact CE-CE1 4.23Å; M413-F465 HydrophobicContact CE-CG 3.71Å; Y461-F465 WeakPolarHBondContact O-CB 3.13Å; Y461-F465 PolarHBondContact O-N 3.44Å; P462-F465 PolarHBondContact O-N 3.42Å; F465-T467 PolarHBondContact O-N 2.95Å; F465-I468 PolarHBondContact O-N 3.17Å; F465-V469 HydrophobicContact CD1-CG2 4.04Å; F465-V469 HydrophobicContact CE1-CG2 3.75Å; F465-V469 HydrophobicContact CZ-CG2 4.44Å; F465-V469 WeakPolarHBondContact O-CG2 3.29Å; F465-V469 PolarHBondContact O-N 3.23Å; F465-V469 VanDerWaalsContact O-N 3.13Å
466T96.7Very high94.7Very high0 Ų031.3 Ų31.30%017%0.171CC..Hα-helixtrans-63.9-41.4-179.1-60.90000111.3P462 I468 V469 Y470 L486 T489P462-T466 WeakPolarHBondContact O-CB 3.36Å; P462-T466 PolarHBondContact O-N 3.25Å; P462-T466 PolarHBondContact O-OG1 2.84Å; P462-T466 VanDerWaalsContact O-OG1 3.07Å; T466-I468 PolarHBondContact O-N 3.03Å; T466-V469 PolarHBondContact O-N 3Å; T466-Y470 WeakPolarHBondContact O-CB 3.31Å; T466-Y470 PolarHBondContact O-N 3.42Å; T466-L486 HydrophobicContact CG2-CD1 4.28Å; T466-T489 HydrophobicContact CG2-CG2 4.08Å; T466-T489 VanDerWaalsContact OG1-CB 3.28Å; T466-T489 WeakPolarHBondContact OG1-CB 3.16Å; T466-T489 VanDerWaalsContact OG1-CG2 3.26Å; T466-T489 WeakPolarHBondContact OG1-CG2 3.38Å; T466-T489 PolarHBondContact OG1-OG1 3.47Å
467T97.3Very high94.4Very high52 Ų5232.1 Ų32.132%0.31918%0.176SC..Hα-helixtrans-59.3-45.9178.3-57.70000111.7S463 V464 F465 W471 F482S463-T467 VanDerWaalsContact O-CB 3.25Å; S463-T467 WeakPolarHBondContact O-CB 3.48Å; S463-T467 PolarHBondContact O-N 3.04Å; S463-T467 PolarHBondContact O-OG1 3.49Å; V464-T467 PolarHBondContact O-N 2.74Å; F465-T467 PolarHBondContact O-N 2.95Å; T467-W471 PolarHBondContact O-N 3.32Å; T467-F482 HydrophobicContact CG2-CE2 4.42Å; T467-F482 HydrophobicContact CG2-CZ 4.16Å
468I97.2Very high94.5Very high36 Ų3633.1 Ų33.119%0.18519%0.185CC..Hα-helixtrans-63.1-52.6179.8-66.5168.9000110.7V379 P382 V383 V464 F465 T466 Y470 M472V379-I468 HydrophobicContact CB-CD1 4.5Å; V379-I468 HydrophobicContact CG1-CD1 4.35Å; V379-I468 HydrophobicContact CG2-CD1 4.37Å; P382-I468 HydrophobicContact CB-CB 4.04Å; P382-I468 HydrophobicContact CB-CG2 3.88Å; P382-I468 HydrophobicContact CG-CB 4.31Å; P382-I468 HydrophobicContact CG-CD1 4.11Å; P382-I468 HydrophobicContact CG-CG2 4.25Å; V383-I468 HydrophobicContact CG2-CG2 3.84Å; V464-I468 HydrophobicContact CG1-CD1 3.86Å; V464-I468 WeakPolarHBondContact O-CG1 3.43Å; V464-I468 PolarHBondContact O-N 2.88Å; V464-I468 VanDerWaalsContact O-N 3.13Å; F465-I468 PolarHBondContact O-N 3.17Å; T466-I468 PolarHBondContact O-N 3.03Å; I468-Y470 PolarHBondContact O-N 3.22Å; I468-M472 HydrophobicContact CG2-CG 4.48Å; I468-M472 HydrophobicContact CG2-SD 3.53Å; I468-M472 VanDerWaalsContact CG2-SD 3.53Å; I468-M472 WeakPolarHBondContact O-CB 3.48Å; I468-M472 VanDerWaalsContact O-CG 3.29Å; I468-M472 WeakPolarHBondContact O-CG 3.27Å; I468-M472 PolarHBondContact O-N 3.03Å; I468-M472 VanDerWaalsContact O-N 3.1Å
469V96.7Very high94.6Very high1 Ų138.6 Ų38.61%0.00621%0.213CC..Hα-helixtrans-62.9-45.6-178.4176.60000111.3P382 I385 I405 L409 F465 T466 W471 T473P382-V469 HydrophobicContact CB-CG2 3.37Å; I385-V469 HydrophobicContact CB-CG2 4.44Å; I385-V469 HydrophobicContact CG2-CG1 4.13Å; I385-V469 HydrophobicContact CG2-CG2 4.26Å; I405-V469 HydrophobicContact CG2-CG1 3.66Å; L409-V469 HydrophobicContact CD1-CG1 4.25Å; L409-V469 HydrophobicContact CD2-CB 4.08Å; L409-V469 HydrophobicContact CD2-CG1 4.15Å; L409-V469 HydrophobicContact CD2-CG2 4.32Å; L409-V469 HydrophobicContact CG-CG1 4.16Å; F465-V469 HydrophobicContact CD1-CG2 4.04Å; F465-V469 HydrophobicContact CE1-CG2 3.75Å; F465-V469 HydrophobicContact CZ-CG2 4.44Å; F465-V469 WeakPolarHBondContact O-CG2 3.29Å; F465-V469 PolarHBondContact O-N 3.23Å; F465-V469 VanDerWaalsContact O-N 3.13Å; T466-V469 PolarHBondContact O-N 3Å; V469-W471 PolarHBondContact O-N 3.38Å; V469-T473 HydrophobicContact CG1-CG2 4.01Å; V469-T473 WeakPolarHBondContact O-CB 3.5Å; V469-T473 VanDerWaalsContact O-CG2 3.3Å; V469-T473 WeakPolarHBondContact O-CG2 3.27Å; V469-T473 PolarHBondContact O-N 3.2Å; V469-T473 PolarHBondContact O-OG1 3.38Å
470Y96.4Very high94.6Very high3 Ų337.9 Ų37.91%0.01222%0.215CC..Hα-helixtrans-58.8-47.9-173.3-166-85.5000112.1T466 I468 G474 L475 C476 A481 F482 A485T466-Y470 WeakPolarHBondContact O-CB 3.31Å; T466-Y470 PolarHBondContact O-N 3.42Å; I468-Y470 PolarHBondContact O-N 3.22Å; Y470-G474 PolarHBondContact O-N 3.34Å; Y470-L475 HydrophobicContact CD1-CB 4.31Å; Y470-L475 HydrophobicContact CD2-CB 3.92Å; Y470-L475 HydrophobicContact CD2-CD1 3.56Å; Y470-L475 HydrophobicContact CD2-CG 4.36Å; Y470-L475 HydrophobicContact CE1-CB 4.17Å; Y470-L475 HydrophobicContact CE2-CB 3.77Å; Y470-L475 HydrophobicContact CE2-CD1 3.92Å; Y470-L475 HydrophobicContact CG-CB 4.18Å; Y470-L475 HydrophobicContact CG-CD1 4.21Å; Y470-L475 PolarHBondContact O-N 2.97Å; Y470-C476 WeakPolarHBondContact CE1-O 3.3Å; Y470-C476 PolarHBondContact OH-O 2.97Å; Y470-A481 VanDerWaalsContact OH-C 3.32Å; Y470-A481 WeakPolarHBondContact OH-CB 3.47Å; Y470-F482 HydrophobicContact CD1-CB 4.17Å; Y470-F482 AromaticContact CD1-CD2 3.67Å; Y470-F482 HydrophobicContact CD1-CD2 3.67Å; Y470-F482 HydrophobicContact CD1-CG 4.32Å; Y470-F482 HydrophobicContact CD2-CD2 4.33Å; Y470-F482 HydrophobicContact CE1-CB 3.69Å; Y470-F482 HydrophobicContact CE1-CD2 4.08Å; Y470-F482 HydrophobicContact CE1-CG 4.34Å; Y470-F482 AromaticContact CG-CD2 3.81Å; Y470-F482 HydrophobicContact CG-CD2 3.81Å; Y470-F482 PolarHBondContact OH-N 2.87Å; Y470-A485 HydrophobicContact CD2-CB 4.05Å; Y470-A485 HydrophobicContact CE2-CB 3.75Å
471W95.7Very high94.6Very high130 Ų13034.3 Ų34.349%0.49219%0.193SC..Hα-helixtrans-80.4-36.4-177.2-67.8110.6000113.4T467 V469 F482T467-W471 PolarHBondContact O-N 3.32Å; V469-W471 PolarHBondContact O-N 3.38Å; W471-F482 HydrophobicContact CZ2-CB 4.42Å; W471-F482 HydrophobicContact CZ2-CD1 4.41Å; W471-F482 HydrophobicContact CZ2-CG 4.21Å; W471-F482 AromaticContact NE1-CD2 3.86Å; W471-F482 AromaticContact NE1-CE2 3.77Å; W471-F482 AromaticContact NE1-CZ 3.99Å
472M95.9Very high94.7Very high39 Ų3934.9 Ų34.919%0.19220%0.196CC..Hα-helixtrans-69.2-37.2178.1-71.9179.873.400112.5V383 M387 W390 R391 I468V383-M472 HydrophobicContact CG1-CE 4.31Å; V383-M472 HydrophobicContact CG2-SD 4.36Å; M387-M472 HydrophobicContact CG-CE 3.96Å; W390-M472 HydrophobicContact CE3-CE 4.22Å; W390-M472 HydrophobicContact CZ3-CE 3.77Å; W390-M472 HydrophobicContact CZ3-CG 4.49Å; R391-M472 PolarHBondContact N-O 3.37Å; R391-M472 VanDerWaalsContact N-O 3.13Å; I468-M472 HydrophobicContact CG2-CG 4.48Å; I468-M472 HydrophobicContact CG2-SD 3.53Å; I468-M472 VanDerWaalsContact CG2-SD 3.53Å; I468-M472 WeakPolarHBondContact O-CB 3.48Å; I468-M472 VanDerWaalsContact O-CG 3.29Å; I468-M472 WeakPolarHBondContact O-CG 3.27Å; I468-M472 PolarHBondContact O-N 3.03Å; I468-M472 VanDerWaalsContact O-N 3.1Å
473T94.5Very high94.8Very high0 Ų038.9 Ų38.90%022%0.217CC..Hα-helixtrans-83.1-13.3-178.662.30000114Y389 R391 A392 I405 V469Y389-T473 WeakPolarHBondContact O-CA 3.3Å; R391-T473 CarbonylContact C-O 3.58Å; R391-T473 WeakPolarHBondContact CA-O 3.42Å; A392-T473 PolarHBondContact N-O 3.19Å; I405-T473 HydrophobicContact CD1-CG2 4.05Å; I405-T473 HydrophobicContact CG1-CG2 4.36Å; I405-T473 HydrophobicContact CG2-CG2 4.31Å; V469-T473 HydrophobicContact CG1-CG2 4.01Å; V469-T473 WeakPolarHBondContact O-CB 3.5Å; V469-T473 VanDerWaalsContact O-CG2 3.3Å; V469-T473 WeakPolarHBondContact O-CG2 3.27Å; V469-T473 PolarHBondContact O-N 3.2Å; V469-T473 PolarHBondContact O-OG1 3.38Å
474G90.9Very high94.9Very high26 Ų2639.9 Ų39.927%0.26822%0.22SC..THydrogen-bonded Turntrans75.238.9176.500000113.9Y470Y470-G474 PolarHBondContact O-N 3.34Å
475L92Very high94.9Very high7 Ų738 Ų384%0.03721%0.208CC..  trans-61.4177169.6-67.8179.7000111.4I402 I405 L406 L409 Y470 P477I402-L475 HydrophobicContact CG2-CD2 4.02Å; I405-L475 HydrophobicContact CG2-CD1 4.32Å; L406-L475 HydrophobicContact CD2-CD1 4.02Å; L406-L475 HydrophobicContact CD2-CD2 4.34Å; L409-L475 HydrophobicContact CD1-CD1 4.43Å; Y470-L475 HydrophobicContact CD1-CB 4.31Å; Y470-L475 HydrophobicContact CD2-CB 3.92Å; Y470-L475 HydrophobicContact CD2-CD1 3.56Å; Y470-L475 HydrophobicContact CD2-CG 4.36Å; Y470-L475 HydrophobicContact CE1-CB 4.17Å; Y470-L475 HydrophobicContact CE2-CB 3.77Å; Y470-L475 HydrophobicContact CE2-CD1 3.92Å; Y470-L475 HydrophobicContact CG-CB 4.18Å; Y470-L475 HydrophobicContact CG-CD1 4.21Å; Y470-L475 PolarHBondContact O-N 2.97Å; L475-P477 VanDerWaalsContact O-N 3.11Å
476C91.1Very high94.9Very high5 Ų539.3 Ų39.33%0.03422%0.216CC..  trans-46.3120-172.8-176.90000111.9Y470 T478 A481Y470-C476 WeakPolarHBondContact CE1-O 3.3Å; Y470-C476 PolarHBondContact OH-O 2.97Å; C476-T478 PolarHBondContact O-N 3.36Å; C476-A481 HydrophobicContact CB-CB 4.02Å
477P88.1Confident95Very high93 Ų9344.3 Ų44.360%0.60424%0.242SC*.  trans-76.112.1-16730.2-36.6000114.5L475L475-P477 VanDerWaalsContact O-N 3.11Å
478T91.9Very high95Very high53 Ų5342.1 Ų42.133%0.32523%0.228SC..  trans-87.7135.9-178.163.20000111.5C476 S480 A481 F482 R564C476-T478 PolarHBondContact O-N 3.36Å; T478-S480 PolarHBondContact O-N 3.48Å; T478-A481 PolarHBondContact O-N 3.42Å; T478-A481 VanDerWaalsContact O-N 3.12Å; T478-A481 WeakPolarHBondContact OG1-CB 3.38Å; T478-A481 PolarHBondContact OG1-N 3.03Å; T478-F482 PolarHBondContact O-N 2.9Å; T478-R564 PolarHBondContact OG1-NH1 2.88Å
479I93.4Very high95Very high121 Ų12140.4 Ų40.462%0.62122%0.22SC*.Hα-helixtrans-58.8-37.4179.8-63.8170000111.2F482 I483I479-F482 PolarHBondContact O-N 2.91Å; I479-I483 HydrophobicContact CG2-CD1 3.77Å; I479-I483 HydrophobicContact CG2-CG1 4.32Å; I479-I483 WeakPolarHBondContact O-CG1 3.36Å; I479-I483 PolarHBondContact O-N 3.36Å
480S94.9Very high95.1Very high60 Ų6041.6 Ų41.642%0.4223%0.225SC..Hα-helixtrans-66.9-39177.949.40000112.5T478 F482 I484 R564T478-S480 PolarHBondContact O-N 3.48Å; S480-F482 VanDerWaalsContact C-N 3.34Å; S480-I484 WeakPolarHBondContact O-CB 3.48Å; S480-I484 VanDerWaalsContact O-CG1 3.28Å; S480-I484 WeakPolarHBondContact O-CG1 3.39Å; S480-I484 PolarHBondContact O-N 3.2Å; S480-I484 VanDerWaalsContact O-N 3.07Å; S480-R564 PolarHBondContact OG-NH1 3.03Å
481A94.5Very high95.1Very high0 Ų043.1 Ų43.10%023%0.234CC..Hα-helixtrans-64.2-40.6173.800000111.8Y470 C476 T478 A485 N560Y470-A481 VanDerWaalsContact OH-C 3.32Å; Y470-A481 WeakPolarHBondContact OH-CB 3.47Å; C476-A481 HydrophobicContact CB-CB 4.02Å; T478-A481 PolarHBondContact O-N 3.42Å; T478-A481 VanDerWaalsContact O-N 3.12Å; T478-A481 WeakPolarHBondContact OG1-CB 3.38Å; T478-A481 PolarHBondContact OG1-N 3.03Å; A481-A485 WeakPolarHBondContact O-CB 3.23Å; A481-A485 PolarHBondContact O-N 3.37Å; A481-N560 PolarHBondContact O-ND2 3.44Å
482F96.8Very high95.2Very high31 Ų3137 Ų3714%0.13621%0.21CC..Hα-helixtrans-61.9-50.3176.6169.3-113.6000112T467 Y470 W471 T478 I479 S480 I484 A485 L486T467-F482 HydrophobicContact CG2-CE2 4.42Å; T467-F482 HydrophobicContact CG2-CZ 4.16Å; Y470-F482 HydrophobicContact CD1-CB 4.17Å; Y470-F482 AromaticContact CD1-CD2 3.67Å; Y470-F482 HydrophobicContact CD1-CD2 3.67Å; Y470-F482 HydrophobicContact CD1-CG 4.32Å; Y470-F482 HydrophobicContact CD2-CD2 4.33Å; Y470-F482 HydrophobicContact CE1-CB 3.69Å; Y470-F482 HydrophobicContact CE1-CD2 4.08Å; Y470-F482 HydrophobicContact CE1-CG 4.34Å; Y470-F482 AromaticContact CG-CD2 3.81Å; Y470-F482 HydrophobicContact CG-CD2 3.81Å; Y470-F482 PolarHBondContact OH-N 2.87Å; W471-F482 HydrophobicContact CZ2-CB 4.42Å; W471-F482 HydrophobicContact CZ2-CD1 4.41Å; W471-F482 HydrophobicContact CZ2-CG 4.21Å; W471-F482 AromaticContact NE1-CD2 3.86Å; W471-F482 AromaticContact NE1-CE2 3.77Å; W471-F482 AromaticContact NE1-CZ 3.99Å; T478-F482 PolarHBondContact O-N 2.9Å; I479-F482 PolarHBondContact O-N 2.91Å; S480-F482 VanDerWaalsContact C-N 3.34Å; F482-I484 VanDerWaalsContact C-N 3.33Å; F482-I484 PolarHBondContact O-N 2.87Å; F482-A485 PolarHBondContact O-N 2.82Å; F482-L486 HydrophobicContact CE2-CD1 4.47Å; F482-L486 HydrophobicContact CZ-CD1 4.36Å; F482-L486 WeakPolarHBondContact O-CB 3.42Å; F482-L486 PolarHBondContact O-N 2.77Å
483I97.4Very high95.3Very high84 Ų8435.1 Ų35.143%0.43120%0.201SC..Hα-helixtrans-61.8-42.1-179.6-68.1170.8000110.9I479 L486 L487I479-I483 HydrophobicContact CG2-CD1 3.77Å; I479-I483 HydrophobicContact CG2-CG1 4.32Å; I479-I483 WeakPolarHBondContact O-CG1 3.36Å; I479-I483 PolarHBondContact O-N 3.36Å; I483-L486 WeakPolarHBondContact O-CB 3.45Å; I483-L486 PolarHBondContact O-N 2.94Å; I483-L487 HydrophobicContact CG2-CD1 4.14Å; I483-L487 WeakPolarHBondContact O-CG 3.32Å; I483-L487 PolarHBondContact O-N 3.37Å
484I97Very high95.4Very high47 Ų4736.5 Ų36.524%0.24121%0.209CC..Hα-helixtrans-64.8-44.8177.2-69.2170.7000110.7S480 F482 L486 L487 L488 N560 F594S480-I484 WeakPolarHBondContact O-CB 3.48Å; S480-I484 VanDerWaalsContact O-CG1 3.28Å; S480-I484 WeakPolarHBondContact O-CG1 3.39Å; S480-I484 PolarHBondContact O-N 3.2Å; S480-I484 VanDerWaalsContact O-N 3.07Å; F482-I484 VanDerWaalsContact C-N 3.33Å; F482-I484 PolarHBondContact O-N 2.87Å; I484-L486 VanDerWaalsContact C-N 3.28Å; I484-L486 PolarHBondContact O-N 3.36Å; I484-L487 PolarHBondContact O-N 2.84Å; I484-L488 HydrophobicContact CG2-CD1 3.89Å; I484-L488 HydrophobicContact CG2-CG 4.26Å; I484-L488 WeakPolarHBondContact O-CB 3.18Å; I484-L488 VanDerWaalsContact O-CG 3.28Å; I484-L488 WeakPolarHBondContact O-CG 3.46Å; I484-L488 PolarHBondContact O-N 3.36Å; I484-N560 HydrophobicContact CG2-CB 4.02Å; I484-N560 VanDerWaalsContact CG2-CG 3.46Å; I484-N560 WeakPolarHBondContact CG2-OD1 3.34Å; I484-F594 HydrophobicContact CG2-CE2 4.29Å; I484-F594 HydrophobicContact CG2-CZ 3.7Å
485A97.2Very high95.7Very high4 Ų435.2 Ų35.23%0.03320%0.196CC..Hα-helixtrans-59.1-41.8176.400000111.5Y470 A481 F482 L488 T489 L557 N560Y470-A485 HydrophobicContact CD2-CB 4.05Å; Y470-A485 HydrophobicContact CE2-CB 3.75Å; A481-A485 WeakPolarHBondContact O-CB 3.23Å; A481-A485 PolarHBondContact O-N 3.37Å; F482-A485 PolarHBondContact O-N 2.82Å; A485-L488 PolarHBondContact O-N 3.13Å; A485-T489 WeakPolarHBondContact O-CG2 3.37Å; A485-T489 PolarHBondContact O-N 2.91Å; A485-T489 PolarHBondContact O-OG1 2.88Å; A485-L557 HydrophobicContact CB-CD2 4.12Å; A485-N560 PolarHBondContact N-ND2 3.28Å
486L97.5Very high96Very high33 Ų3334.9 Ų34.917%0.17319%0.194CC..Hα-helixtrans-59.8-46.9175.2-165.976.4000112T466 F482 I483 I484 T489 I490T466-L486 HydrophobicContact CG2-CD1 4.28Å; F482-L486 HydrophobicContact CE2-CD1 4.47Å; F482-L486 HydrophobicContact CZ-CD1 4.36Å; F482-L486 WeakPolarHBondContact O-CB 3.42Å; F482-L486 PolarHBondContact O-N 2.77Å; I483-L486 WeakPolarHBondContact O-CB 3.45Å; I483-L486 PolarHBondContact O-N 2.94Å; I484-L486 VanDerWaalsContact C-N 3.28Å; I484-L486 PolarHBondContact O-N 3.36Å; L486-T489 PolarHBondContact O-N 3.23Å; L486-T489 PolarHBondContact O-OG1 3.35Å; L486-I490 HydrophobicContact CG-CD1 4.18Å; L486-I490 WeakPolarHBondContact O-CD1 3.3Å; L486-I490 VanDerWaalsContact O-CG1 3.23Å; L486-I490 WeakPolarHBondContact O-CG1 3.4Å; L486-I490 PolarHBondContact O-N 3.07Å
487L97.9Very high96.2Very high106 Ų10634.7 Ų34.756%0.55519%0.192SC*.Hα-helixtrans-65.1-39.7178.3-69.8172.8000111.8I483 I484 I490 L491I483-L487 HydrophobicContact CG2-CD1 4.14Å; I483-L487 WeakPolarHBondContact O-CG 3.32Å; I483-L487 PolarHBondContact O-N 3.37Å; I484-L487 PolarHBondContact O-N 2.84Å; L487-I490 PolarHBondContact O-N 3.49Å; L487-L491 VanDerWaalsContact O-CB 3.3Å; L487-L491 WeakPolarHBondContact O-CB 3.42Å; L487-L491 PolarHBondContact O-N 3.08Å
488L98Very high96.6Very high6 Ų630.2 Ų30.23%0.03116%0.164CC..Hα-helixtrans-64.9-41.8176.7-71.1173.3000112.1I484 A485 L491 C492 A556 L557 N560 F594 I598I484-L488 HydrophobicContact CG2-CD1 3.89Å; I484-L488 HydrophobicContact CG2-CG 4.26Å; I484-L488 WeakPolarHBondContact O-CB 3.18Å; I484-L488 VanDerWaalsContact O-CG 3.28Å; I484-L488 WeakPolarHBondContact O-CG 3.46Å; I484-L488 PolarHBondContact O-N 3.36Å; A485-L488 PolarHBondContact O-N 3.13Å; L488-L491 PolarHBondContact O-N 3.1Å; L488-C492 WeakPolarHBondContact O-CB 3.33Å; L488-C492 PolarHBondContact O-N 3.49Å; L488-A556 HydrophobicContact CD1-CB 3.92Å; L488-A556 HydrophobicContact CD2-CB 3.76Å; L488-A556 HydrophobicContact CG-CB 4.47Å; L488-L557 HydrophobicContact CB-CD2 4.01Å; L488-L557 HydrophobicContact CB-CG 4.39Å; L488-L557 HydrophobicContact CD1-CD2 4.08Å; L488-L557 HydrophobicContact CD1-CG 4.37Å; L488-N560 HydrophobicContact CD1-CB 4.38Å; L488-F594 HydrophobicContact CD1-CE2 4.15Å; L488-I598 HydrophobicContact CD2-CD1 4.16Å; L488-I598 HydrophobicContact CD2-CG1 3.7Å
489T97.4Very high96.9Very high0 Ų028.8 Ų28.80%015%0.154CC..Hα-helixtrans-69.9-37.3177.359.60000112.4T466 A485 L486 L491 C492 A493 L557T466-T489 HydrophobicContact CG2-CG2 4.08Å; T466-T489 VanDerWaalsContact OG1-CB 3.28Å; T466-T489 WeakPolarHBondContact OG1-CB 3.16Å; T466-T489 VanDerWaalsContact OG1-CG2 3.26Å; T466-T489 WeakPolarHBondContact OG1-CG2 3.38Å; T466-T489 PolarHBondContact OG1-OG1 3.47Å; A485-T489 WeakPolarHBondContact O-CG2 3.37Å; A485-T489 PolarHBondContact O-N 2.91Å; A485-T489 PolarHBondContact O-OG1 2.88Å; L486-T489 PolarHBondContact O-N 3.23Å; L486-T489 PolarHBondContact O-OG1 3.35Å; T489-L491 VanDerWaalsContact C-N 3.34Å; T489-C492 PolarHBondContact O-N 2.95Å; T489-A493 WeakPolarHBondContact O-CB 3.42Å; T489-A493 PolarHBondContact O-N 3.29Å; T489-L557 HydrophobicContact CG2-CD1 4.42Å; T489-L557 HydrophobicContact CG2-CD2 4.32Å
490I97.8Very high97Very high25 Ų2523 Ų2313%0.12812%0.124CC..Hα-helixtrans-61.9-43.6171.7-67.9163.6000110.6I459 P462 L486 L487 A493 N494I459-I490 HydrophobicContact CG1-CG2 4.24Å; I459-I490 HydrophobicContact CG2-CD1 4.24Å; P462-I490 HydrophobicContact CB-CG1 4.04Å; L486-I490 HydrophobicContact CG-CD1 4.18Å; L486-I490 WeakPolarHBondContact O-CD1 3.3Å; L486-I490 VanDerWaalsContact O-CG1 3.23Å; L486-I490 WeakPolarHBondContact O-CG1 3.4Å; L486-I490 PolarHBondContact O-N 3.07Å; L487-I490 PolarHBondContact O-N 3.49Å; I490-A493 PolarHBondContact O-N 2.87Å; I490-N494 PolarHBondContact O-N 3.31Å; I490-N494 PolarHBondContact O-ND2 3.41Å
491L97.7Very high97.1Very high35 Ų3520.1 Ų20.118%0.18310%0.104CC..Hα-helixtrans-65.8-43.1179-176.461.5000111.5L487 L488 T489 N494 A495 I598 L601 I602 V605L487-L491 VanDerWaalsContact O-CB 3.3Å; L487-L491 WeakPolarHBondContact O-CB 3.42Å; L487-L491 PolarHBondContact O-N 3.08Å; L488-L491 PolarHBondContact O-N 3.1Å; T489-L491 VanDerWaalsContact C-N 3.34Å; L491-N494 PolarHBondContact O-N 3.46Å; L491-A495 PolarHBondContact O-N 3.04Å; L491-I598 HydrophobicContact CD2-CG2 4.11Å; L491-L601 HydrophobicContact CD1-CB 4.48Å; L491-L601 HydrophobicContact CD2-CB 3.65Å; L491-L601 HydrophobicContact CD2-CD1 4.06Å; L491-L601 HydrophobicContact CG-CB 3.77Å; L491-L601 HydrophobicContact CG-CD1 4.28Å; L491-I602 HydrophobicContact CD1-CG1 3.8Å; L491-I602 HydrophobicContact CD2-CG1 4.01Å; L491-V605 HydrophobicContact CD1-CG2 4.25Å
492C97.7Very high97.2Very high1 Ų120.9 Ų20.91%0.00711%0.109CC..Hα-helixtrans-58-47.8172.4175.70000111.6M413 L488 T489 N494 A495 A496 S553M413-C492 HydrophobicContact CB-CB 4.3Å; L488-C492 WeakPolarHBondContact O-CB 3.33Å; L488-C492 PolarHBondContact O-N 3.49Å; T489-C492 PolarHBondContact O-N 2.95Å; C492-N494 VanDerWaalsContact C-N 3.31Å; C492-N494 PolarHBondContact O-N 3.48Å; C492-A495 WeakPolarHBondContact O-CB 3.4Å; C492-A495 PolarHBondContact O-N 2.79Å; C492-A496 WeakPolarHBondContact O-CB 3.47Å; C492-A496 PolarHBondContact O-N 2.66Å; C492-S553 WeakPolarHBondContact CB-OG 3.18Å; C492-S553 PolarHBondContact SG-OG 3.44Å
493A97.3Very high97.1Very high0 Ų019.4 Ų19.40%010%0.102CC..Hα-helixtrans-59-42.2176.300000111.3M413 F417 P462 T489 I490 A495 A496 V497M413-A493 HydrophobicContact CB-CB 4.39Å; M413-A493 HydrophobicContact SD-CB 4.14Å; F417-A493 HydrophobicContact CD1-CB 4.39Å; F417-A493 HydrophobicContact CD2-CB 3.96Å; F417-A493 HydrophobicContact CE1-CB 4.47Å; F417-A493 HydrophobicContact CE2-CB 4.02Å; F417-A493 HydrophobicContact CG-CB 4.15Å; F417-A493 HydrophobicContact CZ-CB 4.3Å; P462-A493 HydrophobicContact CB-CB 4.31Å; P462-A493 HydrophobicContact CG-CB 3.51Å; T489-A493 WeakPolarHBondContact O-CB 3.42Å; T489-A493 PolarHBondContact O-N 3.29Å; I490-A493 PolarHBondContact O-N 2.87Å; A493-A495 PolarHBondContact O-N 3.13Å; A493-A496 WeakPolarHBondContact O-CB 3.35Å; A493-A496 PolarHBondContact O-N 3.4Å; A493-V497 WeakPolarHBondContact O-CB 3.34Å; A493-V497 VanDerWaalsContact O-CG2 3.24Å; A493-V497 WeakPolarHBondContact O-CG2 3.41Å; A493-V497 PolarHBondContact O-N 2.98Å
494N97.2Very high97Very high29 Ų2915.4 Ų15.416%0.1558%0.082CC..Hα-helixtrans-67.1-35.7177.1-82.7-84.4000113.1I490 L491 C492 A496 S498 V605I490-N494 PolarHBondContact O-N 3.31Å; I490-N494 PolarHBondContact O-ND2 3.41Å; L491-N494 PolarHBondContact O-N 3.46Å; C492-N494 VanDerWaalsContact C-N 3.31Å; C492-N494 PolarHBondContact O-N 3.48Å; N494-A496 VanDerWaalsContact C-N 3.35Å; N494-S498 WeakPolarHBondContact O-CB 3.29Å; N494-S498 PolarHBondContact O-N 3.13Å; N494-S498 PolarHBondContact O-OG 3.25Å; N494-V605 HydrophobicContact CB-CG2 4.17Å
495A97.2Very high96.8Very high0 Ų013.3 Ų13.30%07%0.071CC..Hα-helixtrans-64.2-43.8173.300000110.5L491 C492 A493 S498 L499 I549 L601 V605L491-A495 PolarHBondContact O-N 3.04Å; C492-A495 WeakPolarHBondContact O-CB 3.4Å; C492-A495 PolarHBondContact O-N 2.79Å; A493-A495 PolarHBondContact O-N 3.13Å; A495-S498 WeakPolarHBondContact O-CB 3.31Å; A495-S498 PolarHBondContact O-N 3.21Å; A495-L499 PolarHBondContact O-N 2.96Å; A495-I549 HydrophobicContact CB-CD1 4.16Å; A495-I549 HydrophobicContact CB-CG1 4.29Å; A495-I549 HydrophobicContact CB-CG2 3.91Å; A495-L601 HydrophobicContact CB-CD2 4.32Å; A495-V605 HydrophobicContact CB-CG2 3.88Å
496A97.1Very high96.6Very high0 Ų017.4 Ų17.40%09%0.09CC..Hα-helixtrans-62.8-46.9176.600000112.7M413 V414 F417 V418 C492 A493 N494 S498 L499 G500M413-A496 WeakPolarHBondContact O-CB 3.3Å; V414-A496 HydrophobicContact CB-CB 4.34Å; V414-A496 HydrophobicContact CG1-CB 4.35Å; V414-A496 HydrophobicContact CG2-CB 4.38Å; F417-A496 HydrophobicContact CB-CB 4.25Å; V418-A496 HydrophobicContact CG2-CB 4.08Å; V418-A496 WeakPolarHBondContact CG2-O 3.25Å; C492-A496 WeakPolarHBondContact O-CB 3.47Å; C492-A496 PolarHBondContact O-N 2.66Å; A493-A496 WeakPolarHBondContact O-CB 3.35Å; A493-A496 PolarHBondContact O-N 3.4Å; N494-A496 VanDerWaalsContact C-N 3.35Å; A496-S498 PolarHBondContact O-N 2.83Å; A496-L499 WeakPolarHBondContact O-CB 3.35Å; A496-L499 PolarHBondContact O-N 3.2Å; A496-G500 PolarHBondContact O-N 3.08Å
497V96.6Very high96.3Very high0 Ų018.7 Ų18.70%010%0.095CC..Hα-helixtrans-54.3-46.5172.6167.50000110F417 V421 Y458 A493 L499 G500 Y501F417-V497 HydrophobicContact CB-CG2 3.76Å; F417-V497 HydrophobicContact CD1-CG2 3.83Å; F417-V497 HydrophobicContact CG-CG2 4.18Å; V421-V497 HydrophobicContact CG2-CB 4.14Å; V421-V497 HydrophobicContact CG2-CG1 3.71Å; V421-V497 HydrophobicContact CG2-CG2 4.08Å; Y458-V497 HydrophobicContact CD1-CG2 3.65Å; Y458-V497 HydrophobicContact CD2-CG1 4Å; Y458-V497 HydrophobicContact CD2-CG2 3.99Å; Y458-V497 HydrophobicContact CE1-CG1 4.33Å; Y458-V497 HydrophobicContact CE1-CG2 3.62Å; Y458-V497 HydrophobicContact CE2-CB 4.34Å; Y458-V497 HydrophobicContact CE2-CG1 3.44Å; Y458-V497 VanDerWaalsContact CE2-CG1 3.44Å; Y458-V497 HydrophobicContact CE2-CG2 3.97Å; Y458-V497 HydrophobicContact CG-CG2 3.83Å; A493-V497 WeakPolarHBondContact O-CB 3.34Å; A493-V497 VanDerWaalsContact O-CG2 3.24Å; A493-V497 WeakPolarHBondContact O-CG2 3.41Å; A493-V497 PolarHBondContact O-N 2.98Å; V497-L499 VanDerWaalsContact C-N 3.33Å; V497-L499 PolarHBondContact O-N 3.28Å; V497-G500 WeakPolarHBondContact O-CA 3.45Å; V497-G500 PolarHBondContact O-N 3.21Å; V497-Y501 HydrophobicContact CG1-CD2 3.76Å; V497-Y501 HydrophobicContact CG1-CE2 3.74Å; V497-Y501 WeakPolarHBondContact O-CD2 3.41Å; V497-Y501 PolarHBondContact O-N 3.42Å
498S96.8Very high95.7Very high0 Ų015 Ų150%08%0.079CC..Hα-helixtrans-63.8-38.5-177.9-54.90000112.1N494 A495 A496 Y501 V502 R609N494-S498 WeakPolarHBondContact O-CB 3.29Å; N494-S498 PolarHBondContact O-N 3.13Å; N494-S498 PolarHBondContact O-OG 3.25Å; A495-S498 WeakPolarHBondContact O-CB 3.31Å; A495-S498 PolarHBondContact O-N 3.21Å; A496-S498 PolarHBondContact O-N 2.83Å; S498-Y501 WeakPolarHBondContact O-CB 3.16Å; S498-Y501 PolarHBondContact O-N 2.97Å; S498-V502 PolarHBondContact O-N 3.49Å; S498-V502 VanDerWaalsContact O-N 3.15Å; S498-R609 WeakPolarHBondContact OG-CG 3.45Å; S498-R609 PolarHBondContact OG-NE 3.27Å
499L96.7Very high95.4Very high22 Ų2217.5 Ų17.512%0.1159%0.093CC..Hα-helixtrans-63.5-42.6169.8179.162.8000111.9V418 A495 A496 V497 Y501 V502 I503 I520 I549 F608V418-L499 HydrophobicContact CG2-CB 4.43Å; V418-L499 HydrophobicContact CG2-CD2 4.31Å; A495-L499 PolarHBondContact O-N 2.96Å; A496-L499 WeakPolarHBondContact O-CB 3.35Å; A496-L499 PolarHBondContact O-N 3.2Å; V497-L499 VanDerWaalsContact C-N 3.33Å; V497-L499 PolarHBondContact O-N 3.28Å; L499-Y501 VanDerWaalsContact C-N 3.3Å; L499-Y501 PolarHBondContact O-N 2.93Å; L499-V502 WeakPolarHBondContact O-CB 3.3Å; L499-V502 PolarHBondContact O-N 3.31Å; L499-V502 VanDerWaalsContact O-N 3.1Å; L499-I503 HydrophobicContact CG-CD1 4.23Å; L499-I503 WeakPolarHBondContact O-CG1 3.4Å; L499-I503 PolarHBondContact O-N 2.7Å; L499-I520 HydrophobicContact CD1-CG2 4.24Å; L499-I520 HydrophobicContact CD2-CG2 4.47Å; L499-I549 HydrophobicContact CB-CD1 4.13Å; L499-I549 HydrophobicContact CD2-CD1 4Å; L499-F608 HydrophobicContact CB-CD2 4.15Å; L499-F608 HydrophobicContact CB-CE2 4.37Å
500G96.4Very high95.2Very high0 Ų019.3 Ų19.30%010%0.104CC..Hα-helixtrans-55.1-45.5173.800000112A496 V497 V502 I503 S504A496-G500 PolarHBondContact O-N 3.08Å; V497-G500 WeakPolarHBondContact O-CA 3.45Å; V497-G500 PolarHBondContact O-N 3.21Å; G500-V502 VanDerWaalsContact C-N 3.35Å; G500-V502 PolarHBondContact O-N 2.8Å; G500-I503 PolarHBondContact O-N 3.44Å; G500-S504 PolarHBondContact O-N 3.12Å; G500-S504 PolarHBondContact O-OG 3.26Å
501Y96Very high95Very high0 Ų025 Ų250%013%0.13CC..Hα-helixtrans-60.3-39.1175-93.4-88.4000112.9V421 F425 Y447 E454 V497 S498 L499 T505 R609 S612V421-Y501 HydrophobicContact CG1-CD2 3.47Å; V421-Y501 VanDerWaalsContact CG1-CD2 3.47Å; V421-Y501 HydrophobicContact CG1-CE2 3.7Å; V421-Y501 HydrophobicContact CG1-CG 3.98Å; V421-Y501 HydrophobicContact CG2-CD2 4.33Å; V421-Y501 HydrophobicContact CG2-CE2 4.2Å; F425-Y501 AromaticContact CD2-CD1 3.91Å; F425-Y501 HydrophobicContact CD2-CD1 3.91Å; F425-Y501 AromaticContact CD2-CE1 3.34Å; F425-Y501 HydrophobicContact CD2-CE1 3.34Å; F425-Y501 AromaticContact CE2-CD1 3.92Å; F425-Y501 HydrophobicContact CE2-CD1 3.92Å; F425-Y501 AromaticContact CE2-CE1 3.42Å; F425-Y501 HydrophobicContact CE2-CE1 3.42Å; F425-Y501 VanDerWaalsContact CE2-CE1 3.42Å; F425-Y501 HydrophobicContact CG-CD1 4.23Å; F425-Y501 HydrophobicContact CG-CE1 4.04Å; F425-Y501 HydrophobicContact CZ-CD1 4.21Å; F425-Y501 HydrophobicContact CZ-CE1 4.15Å; Y447-Y501 AromaticContact CE2-CD1 3.85Å; Y447-Y501 HydrophobicContact CE2-CD1 3.85Å; Y447-Y501 HydrophobicContact CE2-CE1 4.27Å; E454-Y501 PolarHBondContact OE2-OH 2.85Å; V497-Y501 HydrophobicContact CG1-CD2 3.76Å; V497-Y501 HydrophobicContact CG1-CE2 3.74Å; V497-Y501 WeakPolarHBondContact O-CD2 3.41Å; V497-Y501 PolarHBondContact O-N 3.42Å; S498-Y501 WeakPolarHBondContact O-CB 3.16Å; S498-Y501 PolarHBondContact O-N 2.97Å; L499-Y501 VanDerWaalsContact C-N 3.3Å; L499-Y501 PolarHBondContact O-N 2.93Å; Y501-T505 WeakPolarHBondContact O-CB 3.15Å; Y501-T505 WeakPolarHBondContact O-CG2 3.44Å; Y501-T505 PolarHBondContact O-N 3.41Å; Y501-T505 PolarHBondContact O-OG1 3.27Å; Y501-R609 VanDerWaalsContact CD2-CZ 3.5Å; Y501-R609 VanDerWaalsContact CZ-NH1 3.34Å; Y501-S612 VanDerWaalsContact C-OG 3.31Å; Y501-S612 WeakPolarHBondContact CB-OG 3.42Å; Y501-S612 PolarHBondContact O-OG 2.9Å; Y501-S612 VanDerWaalsContact O-OG 3.08Å
502V96.5Very high94.9Very high15 Ų1530.5 Ų30.59%0.09115%0.149CC..Hα-helixtrans-59.3-53.3172.61730000109.7S498 L499 G500 S504 T505 M506 F608 I611 L615S498-V502 PolarHBondContact O-N 3.49Å; S498-V502 VanDerWaalsContact O-N 3.15Å; L499-V502 WeakPolarHBondContact O-CB 3.3Å; L499-V502 PolarHBondContact O-N 3.31Å; L499-V502 VanDerWaalsContact O-N 3.1Å; G500-V502 VanDerWaalsContact C-N 3.35Å; G500-V502 PolarHBondContact O-N 2.8Å; V502-S504 PolarHBondContact O-N 3.1Å; V502-T505 PolarHBondContact O-N 3.34Å; V502-T505 PolarHBondContact O-OG1 3.49Å; V502-M506 HydrophobicContact CG1-CG 4.4Å; V502-M506 HydrophobicContact CG1-SD 4.03Å; V502-M506 WeakPolarHBondContact O-CG 3.46Å; V502-M506 PolarHBondContact O-N 3.24Å; V502-F608 HydrophobicContact CG2-CB 3.93Å; V502-F608 HydrophobicContact CG2-CD1 4.49Å; V502-F608 WeakPolarHBondContact CG2-O 3.41Å; V502-I611 HydrophobicContact CG1-CG2 4.1Å; V502-I611 HydrophobicContact CG2-CB 4.21Å; V502-I611 HydrophobicContact CG2-CG2 4.02Å; V502-L615 HydrophobicContact CG1-CD1 3.96Å
503I96.1Very high94.8Very high1 Ų130.5 Ų30.51%0.00515%0.149CC..Hα-helixtrans-59.5-46.4-178.8-61.7170.2000110.8V418 I422 L499 G500 T505 M506 F507 A513 I520V418-I503 HydrophobicContact CG1-CD1 4.01Å; I422-I503 HydrophobicContact CD1-CB 4.19Å; I422-I503 HydrophobicContact CD1-CD1 4.45Å; I422-I503 HydrophobicContact CD1-CG2 3.81Å; I422-I503 HydrophobicContact CG1-CG2 4.34Å; L499-I503 HydrophobicContact CG-CD1 4.23Å; L499-I503 WeakPolarHBondContact O-CG1 3.4Å; L499-I503 PolarHBondContact O-N 2.7Å; G500-I503 PolarHBondContact O-N 3.44Å; I503-T505 PolarHBondContact O-N 2.93Å; I503-M506 PolarHBondContact O-N 3.41Å; I503-M506 VanDerWaalsContact O-N 3.17Å; I503-F507 HydrophobicContact CG2-CD2 3.83Å; I503-F507 HydrophobicContact CG2-CE2 4.14Å; I503-F507 VanDerWaalsContact O-CD2 3.3Å; I503-F507 WeakPolarHBondContact O-CD2 3.43Å; I503-F507 PolarHBondContact O-N 3.37Å; I503-F507 VanDerWaalsContact O-N 3.08Å; I503-A513 HydrophobicContact CG2-CB 4.02Å; I503-I520 HydrophobicContact CD1-CD1 4.17Å; I503-I520 HydrophobicContact CG1-CD1 4Å
504S95.2Very high94.6Very high0 Ų033.1 Ų33.10%016%0.163CC..Hα-helixtrans-61.1-43.9179.3-49.80000112.3I422 C426 G500 V502 M506 F507 A508I422-S504 WeakPolarHBondContact CA-OG 3.14Å; C426-S504 VanDerWaalsContact SG-CA 3.57Å; C426-S504 VanDerWaalsContact SG-CB 3.59Å; G500-S504 PolarHBondContact O-N 3.12Å; G500-S504 PolarHBondContact O-OG 3.26Å; V502-S504 PolarHBondContact O-N 3.1Å; S504-M506 VanDerWaalsContact C-N 3.3Å; S504-M506 PolarHBondContact O-N 2.89Å; S504-F507 PolarHBondContact O-N 2.8Å; S504-A508 PolarHBondContact O-N 3.07Å
505T93.2Very high94.6Very high2 Ų235.1 Ų35.11%0.01218%0.184CC..Hα-helixtrans-70.4-23.1177.554.30000113.6F425 Y501 V502 I503 S612 L616 R619F425-T505 HydrophobicContact CD1-CG2 4.44Å; F425-T505 HydrophobicContact CE1-CG2 3.54Å; F425-T505 HydrophobicContact CZ-CG2 4.12Å; Y501-T505 WeakPolarHBondContact O-CB 3.15Å; Y501-T505 WeakPolarHBondContact O-CG2 3.44Å; Y501-T505 PolarHBondContact O-N 3.41Å; Y501-T505 PolarHBondContact O-OG1 3.27Å; V502-T505 PolarHBondContact O-N 3.34Å; V502-T505 PolarHBondContact O-OG1 3.49Å; I503-T505 PolarHBondContact O-N 2.93Å; T505-S612 WeakPolarHBondContact CG2-OG 3.3Å; T505-S612 PolarHBondContact OG1-OG 2.84Å; T505-L616 HydrophobicContact CG2-CB 4.07Å; T505-R619 PolarHBondContact O-NH1 2.98Å
506M92.2Very high94.4Very high90 Ų9037.1 Ų37.144%0.44320%0.195SC..Hα-helixtrans-75.4-41.8172.4-71.7-174.771.900112.6V502 I503 S504 L615 R619V502-M506 HydrophobicContact CG1-CG 4.4Å; V502-M506 HydrophobicContact CG1-SD 4.03Å; V502-M506 WeakPolarHBondContact O-CG 3.46Å; V502-M506 PolarHBondContact O-N 3.24Å; I503-M506 PolarHBondContact O-N 3.41Å; I503-M506 VanDerWaalsContact O-N 3.17Å; S504-M506 VanDerWaalsContact C-N 3.3Å; S504-M506 PolarHBondContact O-N 2.89Å; M506-L615 HydrophobicContact CG-CD1 3.44Å; M506-L615 VanDerWaalsContact CG-CD1 3.44Å; M506-L615 HydrophobicContact CG-CD2 4.31Å; M506-L615 HydrophobicContact CG-CG 4.46Å; M506-L615 HydrophobicContact SD-CD1 4.25Å; M506-R619 PolarHBondContact O-NH1 3.1Å; M506-R619 PolarHBondContact O-NH2 2.99Å
507F90.7Very high94.3Very high61 Ų6137.1 Ų37.127%0.26820%0.195SC..Hα-helixtrans-101.4-30.1-170.1-66.1-73.6000115I503 S504 N509 A513 V516I503-F507 HydrophobicContact CG2-CD2 3.83Å; I503-F507 HydrophobicContact CG2-CE2 4.14Å; I503-F507 VanDerWaalsContact O-CD2 3.3Å; I503-F507 WeakPolarHBondContact O-CD2 3.43Å; I503-F507 PolarHBondContact O-N 3.37Å; I503-F507 VanDerWaalsContact O-N 3.08Å; S504-F507 PolarHBondContact O-N 2.8Å; F507-N509 PolarHBondContact O-N 2.9Å; F507-A513 HydrophobicContact CB-CB 4.02Å; F507-A513 HydrophobicContact CD2-CB 4.39Å; F507-V516 HydrophobicContact CE1-CB 4.37Å; F507-V516 HydrophobicContact CE1-CG1 4.49Å; F507-V516 HydrophobicContact CE1-CG2 3.93Å; F507-V516 HydrophobicContact CE2-CB 3.92Å; F507-V516 HydrophobicContact CE2-CG1 3.82Å; F507-V516 HydrophobicContact CE2-CG2 4.37Å; F507-V516 HydrophobicContact CZ-CB 3.77Å; F507-V516 HydrophobicContact CZ-CG1 3.56Å; F507-V516 HydrophobicContact CZ-CG2 3.8Å
508A85.9Confident94.2Very high27 Ų2739.1 Ų39.122%0.22321%0.209CC..  trans55.57.4-177.400000115.9L429 S504 R619L429-A508 HydrophobicContact CD2-CB 3.71Å; S504-A508 PolarHBondContact O-N 3.07Å; A508-R619 VanDerWaalsContact CB-CZ 3.4Å
509N91.6Very high94Very high60 Ų6045.3 Ų45.332%0.32124%0.241SC..SBendtrans-136.8133.2178.9178.1-68.3000107.3F507 E511 Y512 A513F507-N509 PolarHBondContact O-N 2.9Å; N509-E511 WeakPolarHBondContact OD1-CA 3.44Å; N509-E511 WeakPolarHBondContact OD1-CB 3.26Å; N509-E511 PolarHBondContact OD1-N 2.96Å; N509-Y512 HydrophobicContact CB-CD2 3.75Å; N509-Y512 HydrophobicContact CB-CE2 4.45Å; N509-Y512 HydrophobicContact CB-CG 4.38Å; N509-Y512 PolarHBondContact OD1-N 3.15Å; N509-A513 WeakPolarHBondContact O-CB 3.48Å; N509-A513 PolarHBondContact O-N 3.35Å
510V92.6Very high93.7Very high38 Ų3847.7 Ų47.723%0.2325%0.253CS..Hα-helixtrans-62.7-46.2-176178.40000110.7C426 V427 Y512 A513 L514C426-V510 HydrophobicContact CB-CG2 3.59Å; V427-V510 HydrophobicContact CG2-CG2 3.68Å; V510-Y512 PolarHBondContact O-N 3.01Å; V510-A513 PolarHBondContact O-N 2.98Å; V510-L514 HydrophobicContact CG1-CD1 3.7Å; V510-L514 HydrophobicContact CG1-CG 4.12Å; V510-L514 WeakPolarHBondContact O-CB 3.48Å; V510-L514 VanDerWaalsContact O-CG 3.29Å; V510-L514 WeakPolarHBondContact O-CG 3.13Å; V510-L514 PolarHBondContact O-N 3.07Å
511E94.8Very high93.6Very high145 Ų14547.8 Ų47.868%0.67825%0.253SS*.Hα-helixtrans-62.1-48.6-176.5-58.7175.2-175.600111.2N509 L514 A515N509-E511 WeakPolarHBondContact OD1-CA 3.44Å; N509-E511 WeakPolarHBondContact OD1-CB 3.26Å; N509-E511 PolarHBondContact OD1-N 2.96Å; E511-L514 PolarHBondContact O-N 3.24Å; E511-A515 VanDerWaalsContact O-CB 3.3Å; E511-A515 WeakPolarHBondContact O-CB 3.32Å; E511-A515 PolarHBondContact O-N 2.62Å
512Y94.4Very high93.5Very high150 Ų15051.5 Ų51.559%0.58827%0.272SS*.Hα-helixtrans-66.7-40.1177.5-61.4-35.4000112.5N509 V510 A515 V516N509-Y512 HydrophobicContact CB-CD2 3.75Å; N509-Y512 HydrophobicContact CB-CE2 4.45Å; N509-Y512 HydrophobicContact CB-CG 4.38Å; N509-Y512 PolarHBondContact OD1-N 3.15Å; V510-Y512 PolarHBondContact O-N 3.01Å; Y512-A515 PolarHBondContact O-N 3.21Å; Y512-V516 WeakPolarHBondContact O-CG2 3.41Å; Y512-V516 PolarHBondContact O-N 2.97Å; Y512-V516 VanDerWaalsContact O-N 3.1Å
513A95.6Very high93.2Very high0 Ų053 Ų530%028%0.283CS..Hα-helixtrans-62.5-46.1177.400000111.5I422 I503 F507 N509 V510 V516 S517I422-A513 HydrophobicContact CG1-CB 4.48Å; I422-A513 HydrophobicContact CG2-CB 3.45Å; I422-A513 VanDerWaalsContact CG2-CB 3.45Å; I503-A513 HydrophobicContact CG2-CB 4.02Å; F507-A513 HydrophobicContact CB-CB 4.02Å; F507-A513 HydrophobicContact CD2-CB 4.39Å; N509-A513 WeakPolarHBondContact O-CB 3.48Å; N509-A513 PolarHBondContact O-N 3.35Å; V510-A513 PolarHBondContact O-N 2.98Å; A513-V516 PolarHBondContact O-N 2.96Å; A513-S517 WeakPolarHBondContact O-CB 3.28Å; A513-S517 PolarHBondContact O-N 3.38Å; A513-S517 PolarHBondContact O-OG 3.46Å
514L94.8Very high93Very high56 Ų5653.6 Ų53.629%0.29329%0.289SS..Hα-helixtrans-67-39.1178.4-69.5179.7000112.1F419 I422 V510 E511 V516 P518F419-L514 HydrophobicContact CB-CD2 4.46Å; F419-L514 HydrophobicContact CD1-CD2 3.46Å; F419-L514 VanDerWaalsContact CD1-CD2 3.46Å; F419-L514 HydrophobicContact CE1-CD2 4Å; F419-L514 HydrophobicContact CG-CD2 4.28Å; I422-L514 HydrophobicContact CB-CD2 4.34Å; I422-L514 HydrophobicContact CG2-CD2 3.83Å; I422-L514 HydrophobicContact CG2-CG 4.02Å; V510-L514 HydrophobicContact CG1-CD1 3.7Å; V510-L514 HydrophobicContact CG1-CG 4.12Å; V510-L514 WeakPolarHBondContact O-CB 3.48Å; V510-L514 VanDerWaalsContact O-CG 3.29Å; V510-L514 WeakPolarHBondContact O-CG 3.13Å; V510-L514 PolarHBondContact O-N 3.07Å; E511-L514 PolarHBondContact O-N 3.24Å; L514-V516 VanDerWaalsContact C-N 3.34Å; L514-V516 PolarHBondContact O-N 3.33Å; L514-P518 WeakPolarHBondContact O-CD 3.48Å
515A95.6Very high93Very high71 Ų7154.8 Ų54.859%0.58730%0.295SS*.Hα-helixtrans-64.4-36.6177.900000112.8E511 Y512E511-A515 VanDerWaalsContact O-CB 3.3Å; E511-A515 WeakPolarHBondContact O-CB 3.32Å; E511-A515 PolarHBondContact O-N 2.62Å; Y512-A515 PolarHBondContact O-N 3.21Å
516V93.8Very high92.9Very high41 Ų4158.7 Ų58.725%0.24832%0.316CS..Hα-helixtrans-87-26.3-178.6177.90000112.8F507 Y512 A513 L514 L519 I520F507-V516 HydrophobicContact CE1-CB 4.37Å; F507-V516 HydrophobicContact CE1-CG1 4.49Å; F507-V516 HydrophobicContact CE1-CG2 3.93Å; F507-V516 HydrophobicContact CE2-CB 3.92Å; F507-V516 HydrophobicContact CE2-CG1 3.82Å; F507-V516 HydrophobicContact CE2-CG2 4.37Å; F507-V516 HydrophobicContact CZ-CB 3.77Å; F507-V516 HydrophobicContact CZ-CG1 3.56Å; F507-V516 HydrophobicContact CZ-CG2 3.8Å; Y512-V516 WeakPolarHBondContact O-CG2 3.41Å; Y512-V516 PolarHBondContact O-N 2.97Å; Y512-V516 VanDerWaalsContact O-N 3.1Å; A513-V516 PolarHBondContact O-N 2.96Å; L514-V516 VanDerWaalsContact C-N 3.34Å; L514-V516 PolarHBondContact O-N 3.33Å; V516-L519 VanDerWaalsContact O-CB 3.32Å; V516-L519 WeakPolarHBondContact O-CB 3.45Å; V516-L519 PolarHBondContact O-N 3.13Å; V516-I520 HydrophobicContact CG1-CD1 4.38Å
517S95Very high92.9Very high0 Ų055.7 Ų55.70%030%0.3CS..Hα-helixtrans-51.1-46.2-176-71.40000114.4I422 A513 L519 I520 I521I422-S517 WeakPolarHBondContact CD1-OG 3.28Å; A513-S517 WeakPolarHBondContact O-CB 3.28Å; A513-S517 PolarHBondContact O-N 3.38Å; A513-S517 PolarHBondContact O-OG 3.46Å; S517-L519 PolarHBondContact O-N 3.48Å; S517-I520 PolarHBondContact O-N 3.22Å; S517-I521 VanDerWaalsContact O-CG1 3.29Å; S517-I521 WeakPolarHBondContact O-CG1 3.32Å; S517-I521 PolarHBondContact O-N 3.04Å
518P94Very high92.8Very high43 Ų4352.8 Ų52.828%0.27929%0.288SS..Hα-helixtrans-57.4-32.6176.7-26.935.4000114.2L514 I520 I521 I522L514-P518 WeakPolarHBondContact O-CD 3.48Å; P518-I520 PolarHBondContact O-N 3.3Å; P518-I521 PolarHBondContact O-N 3.02Å; P518-I522 HydrophobicContact CB-CD1 3.82Å; P518-I522 HydrophobicContact CB-CG1 4.33Å; P518-I522 VanDerWaalsContact O-CB 3.25Å; P518-I522 WeakPolarHBondContact O-CB 3.48Å; P518-I522 VanDerWaalsContact O-CG1 3.29Å; P518-I522 WeakPolarHBondContact O-CG1 3.33Å; P518-I522 PolarHBondContact O-N 3.01Å
519L92.7Very high92.9Very high130 Ų13051.8 Ų51.868%0.68128%0.28SS*.Hα-helixtrans-66.7-21.3178.4-60175.8000112.8V516 S517 P523V516-L519 VanDerWaalsContact O-CB 3.32Å; V516-L519 WeakPolarHBondContact O-CB 3.45Å; V516-L519 PolarHBondContact O-N 3.13Å; S517-L519 PolarHBondContact O-N 3.48Å; L519-P523 VanDerWaalsContact O-CD 3.32Å; L519-P523 WeakPolarHBondContact O-CD 3.39Å; L519-P523 VanDerWaalsContact O-CG 3.29Å; L519-P523 WeakPolarHBondContact O-CG 3.45Å
520I91.8Very high92.8Very high71 Ų7152.5 Ų52.536%0.36428%0.28SS..Hα-helixtrans-96.1-42.6177-60170.4000110.1L499 I503 V516 S517 P518L499-I520 HydrophobicContact CD1-CG2 4.24Å; L499-I520 HydrophobicContact CD2-CG2 4.47Å; I503-I520 HydrophobicContact CD1-CD1 4.17Å; I503-I520 HydrophobicContact CG1-CD1 4Å; V516-I520 HydrophobicContact CG1-CD1 4.38Å; S517-I520 PolarHBondContact O-N 3.22Å; P518-I520 PolarHBondContact O-N 3.3Å
521I94.2Very high92.6Very high2 Ų257.4 Ų57.41%0.0130%0.296CS..Hα-helixtrans-76.4-44.3-173-57.6166.4000111.9V414 F415 V418 F419 S517 P518 G524 L525 F550V414-I521 HydrophobicContact CG1-CG2 4.15Å; F415-I521 HydrophobicContact CD1-CD1 4.42Å; F415-I521 HydrophobicContact CD1-CG2 4.12Å; F415-I521 HydrophobicContact CD2-CG2 4.34Å; F415-I521 HydrophobicContact CE1-CB 4.29Å; F415-I521 HydrophobicContact CE1-CD1 4.41Å; F415-I521 HydrophobicContact CE1-CG2 3.61Å; F415-I521 HydrophobicContact CE2-CG2 3.82Å; F415-I521 HydrophobicContact CG-CG2 4.5Å; F415-I521 HydrophobicContact CZ-CB 4.4Å; F415-I521 HydrophobicContact CZ-CG2 3.45Å; F415-I521 VanDerWaalsContact CZ-CG2 3.45Å; V418-I521 HydrophobicContact CB-CD1 4.18Å; V418-I521 HydrophobicContact CG1-CD1 3.7Å; V418-I521 HydrophobicContact CG2-CD1 4.47Å; F419-I521 HydrophobicContact CE1-CD1 4.37Å; F419-I521 HydrophobicContact CZ-CD1 4.3Å; S517-I521 VanDerWaalsContact O-CG1 3.29Å; S517-I521 WeakPolarHBondContact O-CG1 3.32Å; S517-I521 PolarHBondContact O-N 3.04Å; P518-I521 PolarHBondContact O-N 3.02Å; I521-G524 CarbonylContact O-C 3.34Å; I521-G524 WeakPolarHBondContact O-CA 3.23Å; I521-G524 PolarHBondContact O-N 3.35Å; I521-G524 VanDerWaalsContact O-N 3.08Å; I521-L525 PolarHBondContact O-N 2.98Å; I521-F550 HydrophobicContact CG2-CE2 3.79Å; I521-F550 HydrophobicContact CG2-CZ 3.58Å
522I92.8Very high92.2Very high78 Ų7853.1 Ų53.140%0.428%0.279SS..Hα-helixtrans-63.2-44.2-174.8-65.7172.8000112P518 G524 L525 L526P518-I522 HydrophobicContact CB-CD1 3.82Å; P518-I522 HydrophobicContact CB-CG1 4.33Å; P518-I522 VanDerWaalsContact O-CB 3.25Å; P518-I522 WeakPolarHBondContact O-CB 3.48Å; P518-I522 VanDerWaalsContact O-CG1 3.29Å; P518-I522 WeakPolarHBondContact O-CG1 3.33Å; P518-I522 PolarHBondContact O-N 3.01Å; I522-G524 VanDerWaalsContact C-N 3.26Å; I522-G524 PolarHBondContact O-N 3.38Å; I522-L525 WeakPolarHBondContact O-CB 3.29Å; I522-L525 PolarHBondContact O-N 2.84Å; I522-L525 VanDerWaalsContact O-N 3.1Å; I522-L526 HydrophobicContact CG2-CD1 4.41Å; I522-L526 HydrophobicContact CG2-CG 4.49Å; I522-L526 WeakPolarHBondContact O-CG 3.33Å; I522-L526 PolarHBondContact O-N 3.48Å
523P90.9Very high91.6Very high47 Ų4748.6 Ų48.631%0.30527%0.265SS..Hα-helixtrans-57-42.7172-27.637.1000112L519 L525 L526 F527L519-P523 VanDerWaalsContact O-CD 3.32Å; L519-P523 WeakPolarHBondContact O-CD 3.39Å; L519-P523 VanDerWaalsContact O-CG 3.29Å; L519-P523 WeakPolarHBondContact O-CG 3.45Å; P523-L525 VanDerWaalsContact C-N 3.31Å; P523-L525 PolarHBondContact O-N 3.44Å; P523-L526 PolarHBondContact O-N 3.46Å; P523-F527 WeakPolarHBondContact O-CD2 3.07Å; P523-F527 PolarHBondContact O-N 3.43Å; P523-F527 VanDerWaalsContact O-N 3.14Å
524G92.3Very high90.7Very high14 Ų1449.3 Ų49.314%0.14427%0.269CS..Hα-helixtrans-56.4-44173.800000112.6I521 I522 F527 G528 S548I521-G524 CarbonylContact O-C 3.34Å; I521-G524 WeakPolarHBondContact O-CA 3.23Å; I521-G524 PolarHBondContact O-N 3.35Å; I521-G524 VanDerWaalsContact O-N 3.08Å; I522-G524 VanDerWaalsContact C-N 3.26Å; I522-G524 PolarHBondContact O-N 3.38Å; G524-F527 PolarHBondContact O-N 3.13Å; G524-G528 PolarHBondContact O-N 3.39Å; G524-S548 WeakPolarHBondContact O-CB 3.09Å; G524-S548 PolarHBondContact O-OG 3.08Å
525L94.3Very high90Very high24 Ų2452.9 Ų52.913%0.12628%0.284CS..Hα-helixtrans-60.9-45177.6-17773.6000112F407 N411 F415 I521 I522 P523 F527 G528 Y531 F550F407-L525 HydrophobicContact CE1-CD1 3.7Å; F407-L525 HydrophobicContact CE2-CD1 4.34Å; F407-L525 HydrophobicContact CZ-CD1 3.34Å; F407-L525 HydrophobicContact CZ-CG 4.1Å; N411-L525 VanDerWaalsContact OD1-CD1 3.3Å; N411-L525 WeakPolarHBondContact OD1-CD1 3.47Å; F415-L525 HydrophobicContact CE2-CD1 4.46Å; F415-L525 HydrophobicContact CE2-CD2 4.34Å; I521-L525 PolarHBondContact O-N 2.98Å; I522-L525 WeakPolarHBondContact O-CB 3.29Å; I522-L525 PolarHBondContact O-N 2.84Å; I522-L525 VanDerWaalsContact O-N 3.1Å; P523-L525 VanDerWaalsContact C-N 3.31Å; P523-L525 PolarHBondContact O-N 3.44Å; L525-F527 VanDerWaalsContact C-N 3.34Å; L525-F527 PolarHBondContact O-N 3.42Å; L525-G528 PolarHBondContact O-N 3.1Å; L525-Y531 HydrophobicContact CD2-CE2 4.26Å; L525-Y531 HydrophobicContact CG-CE2 4.13Å; L525-F550 HydrophobicContact CB-CD2 4.28Å; L525-F550 HydrophobicContact CB-CE1 4.37Å; L525-F550 HydrophobicContact CB-CE2 4.02Å; L525-F550 HydrophobicContact CB-CZ 4.07Å; L525-F550 HydrophobicContact CD1-CD1 3.58Å; L525-F550 HydrophobicContact CD1-CE1 3.44Å; L525-F550 VanDerWaalsContact CD1-CE1 3.44Å; L525-F550 HydrophobicContact CD1-CG 4.2Å; L525-F550 HydrophobicContact CD1-CZ 3.95Å; L525-F550 VanDerWaalsContact N-CD2 3.35Å
526L91.9Very high89.5Confident84 Ų8454.1 Ų54.144%0.4428%0.284SS..Hα-helixtrans-62.1-40.5179.5-69.5173.9000112.1I522 P523 G528I522-L526 HydrophobicContact CG2-CD1 4.41Å; I522-L526 HydrophobicContact CG2-CG 4.49Å; I522-L526 WeakPolarHBondContact O-CG 3.33Å; I522-L526 PolarHBondContact O-N 3.48Å; P523-L526 PolarHBondContact O-N 3.46Å; L526-G528 PolarHBondContact O-N 3.37Å
527F90.5Very high89.1Confident28 Ų2853 Ų5312%0.12328%0.277CS..THydrogen-bonded Turntrans-81.99.2175.9-61.3-66.2000113.8P523 G524 L525 G529 I537 F541 L544 K545P523-F527 WeakPolarHBondContact O-CD2 3.07Å; P523-F527 PolarHBondContact O-N 3.43Å; P523-F527 VanDerWaalsContact O-N 3.14Å; G524-F527 PolarHBondContact O-N 3.13Å; L525-F527 VanDerWaalsContact C-N 3.34Å; L525-F527 PolarHBondContact O-N 3.42Å; F527-G529 PolarHBondContact O-N 3.31Å; F527-I537 HydrophobicContact CD1-CD1 4.08Å; F527-I537 HydrophobicContact CD1-CG2 4.39Å; F527-I537 HydrophobicContact CE1-CG2 4.15Å; F527-F541 HydrophobicContact CE1-CB 3.8Å; F527-F541 HydrophobicContact CE1-CG 4.4Å; F527-F541 HydrophobicContact CZ-CB 3.8Å; F527-F541 HydrophobicContact CZ-CD1 4.44Å; F527-F541 HydrophobicContact CZ-CD2 4.42Å; F527-F541 HydrophobicContact CZ-CG 4.02Å; F527-L544 HydrophobicContact CD2-CB 3.8Å; F527-L544 HydrophobicContact CE2-CB 3.64Å; F527-L544 HydrophobicContact CE2-CD1 3.93Å; F527-L544 HydrophobicContact CE2-CG 4.28Å; F527-L544 HydrophobicContact CG-CB 4.43Å; F527-L544 HydrophobicContact CZ-CB 4.11Å; F527-L544 HydrophobicContact CZ-CD1 4.14Å; F527-K545 HydrophobicContact CB-CB 4.08Å
528G89.4Confident88.7Confident0 Ų055.6 Ų55.60%029%0.294CS..THydrogen-bonded Turntrans-72.1-7.1-177.500000115.4G524 L525 L526 R551 Y554G524-G528 PolarHBondContact O-N 3.39Å; L525-G528 PolarHBondContact O-N 3.1Å; L526-G528 PolarHBondContact O-N 3.37Å; G528-R551 WeakPolarHBondContact O-CA 3.37Å; G528-Y554 WeakPolarHBondContact O-CD1 3.32Å
529G87.4Confident88.3Confident6 Ų661.4 Ų61.46%0.06232%0.321CS..SBendtrans88.7-5.7177.400000115.6F527 V532F527-G529 PolarHBondContact O-N 3.31Å; G529-V532 CarbonylContact C-O 3.55Å; G529-V532 WeakPolarHBondContact CA-O 3.4Å
530F89.6Confident88.1Confident75 Ų7562.9 Ų62.933%0.32932%0.318SS..SBendtrans-87.8-49.6176.5-177.2-98.3000112.7N403 F407 Y554N403-F530 HydrophobicContact CB-CE2 4.3Å; F407-F530 HydrophobicContact CB-CB 4.16Å; F407-F530 HydrophobicContact CB-CD1 4.49Å; F407-F530 HydrophobicContact CB-CD2 3.69Å; F407-F530 HydrophobicContact CB-CE2 4.2Å; F407-F530 HydrophobicContact CB-CG 3.86Å; F407-F530 HydrophobicContact CD1-CB 3.83Å; F407-F530 AromaticContact CD1-CD1 3.6Å; F407-F530 HydrophobicContact CD1-CD1 3.6Å; F407-F530 HydrophobicContact CD1-CD2 4.31Å; F407-F530 HydrophobicContact CD1-CE1 4.24Å; F407-F530 AromaticContact CD1-CG 3.64Å; F407-F530 HydrophobicContact CD1-CG 3.64Å; F407-F530 HydrophobicContact CD2-CB 3.37Å; F407-F530 HydrophobicContact CD2-CD2 4.49Å; F407-F530 AromaticContact CD2-CG 3.98Å; F407-F530 HydrophobicContact CD2-CG 3.98Å; F407-F530 HydrophobicContact CE1-CB 3.97Å; F407-F530 AromaticContact CE1-CD1 3.88Å; F407-F530 HydrophobicContact CE1-CD1 3.88Å; F407-F530 HydrophobicContact CE1-CG 4.11Å; F407-F530 HydrophobicContact CE2-CB 3.52Å; F407-F530 HydrophobicContact CE2-CG 4.41Å; F407-F530 HydrophobicContact CG-CB 3.51Å; F407-F530 HydrophobicContact CG-CD1 4.02Å; F407-F530 AromaticContact CG-CD2 3.93Å; F407-F530 HydrophobicContact CG-CD2 3.93Å; F407-F530 AromaticContact CG-CG 3.55Å; F407-F530 HydrophobicContact CG-CG 3.55Å; F407-F530 HydrophobicContact CZ-CB 3.8Å; F407-F530 HydrophobicContact CZ-CG 4.45Å; F530-Y554 HydrophobicContact CB-CD1 4.29Å; F530-Y554 HydrophobicContact CB-CE1 3.91Å; F530-Y554 HydrophobicContact CD2-CE1 4.27Å; F530-Y554 HydrophobicContact CD2-CE2 4.34Å; F530-Y554 AromaticContact CD2-CZ 3.84Å
531Y88.4Confident87.8Confident140 Ų14063.9 Ų63.955%0.54932%0.32SS..SBendtrans-82.7-32.4-179.4-65-65.5000113.6F407 L525F407-Y531 HydrophobicContact CE1-CD2 4.14Å; F407-Y531 AromaticContact CE1-CE2 3.5Å; F407-Y531 HydrophobicContact CE1-CE2 3.5Å; F407-Y531 HydrophobicContact CZ-CD2 4.15Å; F407-Y531 AromaticContact CZ-CE2 3.89Å; F407-Y531 HydrophobicContact CZ-CE2 3.89Å; L525-Y531 HydrophobicContact CD2-CE2 4.26Å; L525-Y531 HydrophobicContact CG-CE2 4.13Å
532V85.8Confident87.3Confident56 Ų5664.5 Ų64.534%0.33933%0.327SS..SBendtrans-126.1125.4179.2-1790000107.9G529 Q534 I537G529-V532 CarbonylContact C-O 3.55Å; G529-V532 WeakPolarHBondContact CA-O 3.4Å; V532-Q534 PolarHBondContact O-N 3.49Å; V532-I537 HydrophobicContact CG1-CG1 3.95Å
533N81.8Confident87Confident55 Ų5568.1 Ų68.129%0.29434%0.336SS..  trans-61.4131.9174.9-173.9-42.3000109.4Q535 T536N533-Q535 PolarHBondContact O-N 2.81Å; N533-Q535 VanDerWaalsContact O-N 3.1Å; N533-Q535 PolarHBondContact OD1-N 2.99Å; N533-T536 HydrophobicContact CB-CG2 4.36Å; N533-T536 PolarHBondContact O-N 3.18Å; N533-T536 VanDerWaalsContact O-N 3.13Å; N533-T536 PolarHBondContact O-OG1 3.01Å
534Q78Confident86.7Confident14 Ų1467.9 Ų67.97%0.06533%0.332CS..THydrogen-bonded Turntrans-61.5-24-175-59.8-166.915.800114V532 E555V532-Q534 PolarHBondContact O-N 3.49Å; Q534-E555 PolarHBondContact NE2-OE2 3.45Å
535Q79.8Confident86.4Confident132 Ų13268.9 Ų68.962%0.61733%0.332SS*.THydrogen-bonded Turntrans-81.8-21.3-178.5-60.5-1784.100112.9N533N533-Q535 PolarHBondContact O-N 2.81Å; N533-Q535 VanDerWaalsContact O-N 3.1Å; N533-Q535 PolarHBondContact OD1-N 2.99Å
536T84.6Confident86.2Confident97 Ų9773.5 Ų73.560%0.59535%0.349SS*.SBendtrans-95.4-0.3-178.5620000113N533 P538N533-T536 HydrophobicContact CB-CG2 4.36Å; N533-T536 PolarHBondContact O-N 3.18Å; N533-T536 VanDerWaalsContact O-N 3.13Å; N533-T536 PolarHBondContact O-OG1 3.01Å; T536-P538 WeakPolarHBondContact O-CD 3.36Å
537I85.4Confident86.1Confident18 Ų1874.1 Ų74.19%0.09235%0.352CS..SBendtrans-64.7124.1179.1-62.9170.7000109.3F527 V532 F541 K545F527-I537 HydrophobicContact CD1-CD1 4.08Å; F527-I537 HydrophobicContact CD1-CG2 4.39Å; F527-I537 HydrophobicContact CE1-CG2 4.15Å; V532-I537 HydrophobicContact CG1-CG1 3.95Å; I537-F541 HydrophobicContact CG2-CB 4.15Å; I537-K545 HydrophobicContact CD1-CB 4.19Å; I537-K545 HydrophobicContact CD1-CD 4.06Å
538P87.6Confident86.3Confident54 Ų5472.8 Ų72.835%0.35135%0.346SS..  trans-58.9143.3177-23.332.8000112.4T536 Y540 F541 G542T536-P538 WeakPolarHBondContact O-CD 3.36Å; P538-Y540 HydrophobicContact CB-CD1 3.7Å; P538-Y540 HydrophobicContact CB-CD2 4.4Å; P538-Y540 HydrophobicContact CB-CE1 3.16Å; P538-Y540 HydrophobicContact CB-CE2 3.96Å; P538-Y540 HydrophobicContact CB-CG 4.28Å; P538-Y540 HydrophobicContact CG-CE1 4.07Å; P538-Y540 HydrophobicContact CG-CE2 4.43Å; P538-Y540 PolarHBondContact O-N 3.37Å; P538-F541 PolarHBondContact O-N 3.37Å; P538-G542 PolarHBondContact O-N 3.12Å; P538-G542 VanDerWaalsContact O-N 3.16Å
539I86Confident86.6Confident165 Ų16573.1 Ų73.185%0.84635%0.348SS*.G310 helixtrans-53.2-37.7-172.7-57.6169.6000112F541 G542I539-F541 VanDerWaalsContact C-N 3.28Å; I539-F541 PolarHBondContact O-N 3.4Å; I539-G542 PolarHBondContact O-N 2.89Å
540Y87.5Confident87Confident160 Ų16073 Ų7363%0.62735%0.346SS*.G310 helixtrans-65.2-25.4-179.553.6-95.9000114.3P538 W543P538-Y540 HydrophobicContact CB-CD1 3.7Å; P538-Y540 HydrophobicContact CB-CD2 4.4Å; P538-Y540 HydrophobicContact CB-CE1 3.16Å; P538-Y540 HydrophobicContact CB-CE2 3.96Å; P538-Y540 HydrophobicContact CB-CG 4.28Å; P538-Y540 HydrophobicContact CG-CE1 4.07Å; P538-Y540 HydrophobicContact CG-CE2 4.43Å; P538-Y540 PolarHBondContact O-N 3.37Å; Y540-W543 PolarHBondContact O-NE1 3.43Å
541F86.1Confident87.3Confident92 Ų9270.3 Ų70.340%0.40433%0.333SS..G310 helixtrans-101.2-1.1172.4-69.7-43.3000113.3F527 I537 P538 I539 W543 L544F527-F541 HydrophobicContact CE1-CB 3.8Å; F527-F541 HydrophobicContact CE1-CG 4.4Å; F527-F541 HydrophobicContact CZ-CB 3.8Å; F527-F541 HydrophobicContact CZ-CD1 4.44Å; F527-F541 HydrophobicContact CZ-CD2 4.42Å; F527-F541 HydrophobicContact CZ-CG 4.02Å; I537-F541 HydrophobicContact CG2-CB 4.15Å; P538-F541 PolarHBondContact O-N 3.37Å; I539-F541 VanDerWaalsContact C-N 3.28Å; I539-F541 PolarHBondContact O-N 3.4Å; F541-W543 PolarHBondContact O-N 2.85Å; F541-L544 HydrophobicContact CD1-CD1 3.68Å; F541-L544 HydrophobicContact CE1-CD1 4.34Å; F541-L544 HydrophobicContact CG-CD1 4.48Å; F541-L544 PolarHBondContact O-N 3.03Å
542G82.6Confident87.6Confident15 Ų1564.6 Ų64.616%0.15531%0.311CS..THydrogen-bonded Turntrans-58.8-22.1-175.100000114.7P538 I539 K545 Y546P538-G542 PolarHBondContact O-N 3.12Å; P538-G542 VanDerWaalsContact O-N 3.16Å; I539-G542 PolarHBondContact O-N 2.89Å; G542-K545 WeakPolarHBondContact O-CD 3.28Å; G542-K545 WeakPolarHBondContact O-CE 3.34Å; G542-K545 VanDerWaalsContact O-CG 3.24Å; G542-K545 WeakPolarHBondContact O-CG 3.26Å; G542-Y546 WeakPolarHBondContact O-CD2 3.1Å; G542-Y546 WeakPolarHBondContact O-CE2 3.36Å
543W87Confident88.1Confident155 Ų15562 Ų6259%0.58730%0.295SS*.THydrogen-bonded Turntrans-80.2-31.1176.967.9-87.7000113.6Y540 F541 K545 Y546 L547Y540-W543 PolarHBondContact O-NE1 3.43Å; F541-W543 PolarHBondContact O-N 2.85Å; W543-K545 VanDerWaalsContact C-N 3.26Å; W543-K545 PolarHBondContact O-N 3.33Å; W543-Y546 PolarHBondContact O-N 3.04Å; W543-Y546 VanDerWaalsContact O-N 3.16Å; W543-L547 HydrophobicContact CE3-CD1 4.01Å; W543-L547 HydrophobicContact CZ3-CD1 3.54Å
544L85.5Confident88.8Confident42 Ų4259.5 Ų59.522%0.2228%0.282CS..G310 helixtrans-65.1-30.9-177.3-86153.8000112.3F527 F541 Y546 L547F527-L544 HydrophobicContact CD2-CB 3.8Å; F527-L544 HydrophobicContact CE2-CB 3.64Å; F527-L544 HydrophobicContact CE2-CD1 3.93Å; F527-L544 HydrophobicContact CE2-CG 4.28Å; F527-L544 HydrophobicContact CG-CB 4.43Å; F527-L544 HydrophobicContact CZ-CB 4.11Å; F527-L544 HydrophobicContact CZ-CD1 4.14Å; F541-L544 HydrophobicContact CD1-CD1 3.68Å; F541-L544 HydrophobicContact CE1-CD1 4.34Å; F541-L544 HydrophobicContact CG-CD1 4.48Å; F541-L544 PolarHBondContact O-N 3.03Å; L544-Y546 PolarHBondContact O-N 3.07Å; L544-L547 PolarHBondContact O-N 3.37Å
545K86.2Confident89.7Confident34 Ų3458.9 Ų58.915%0.14828%0.278CS..G310 helixtrans-59.3-32.6176.781-166.3-175.51710112.3F527 I537 G542 W543 L547 S548 R551F527-K545 HydrophobicContact CB-CB 4.08Å; I537-K545 HydrophobicContact CD1-CB 4.19Å; I537-K545 HydrophobicContact CD1-CD 4.06Å; G542-K545 WeakPolarHBondContact O-CD 3.28Å; G542-K545 WeakPolarHBondContact O-CE 3.34Å; G542-K545 VanDerWaalsContact O-CG 3.24Å; G542-K545 WeakPolarHBondContact O-CG 3.26Å; W543-K545 VanDerWaalsContact C-N 3.26Å; W543-K545 PolarHBondContact O-N 3.33Å; K545-L547 PolarHBondContact O-N 3.46Å; K545-S548 WeakPolarHBondContact O-CB 3.26Å; K545-S548 PolarHBondContact O-N 3.04Å; K545-R551 VanDerWaalsContact CD-NH1 3.3Å; K545-R551 WeakPolarHBondContact O-CD 3.29Å
546Y89.1Confident90.5Very high122 Ų12252.6 Ų52.648%0.47825%0.249SC..G310 helixtrans-75.2-10.9179.5-59.6-67000113.4G542 W543 L544 Y552 M604G542-Y546 WeakPolarHBondContact O-CD2 3.1Å; G542-Y546 WeakPolarHBondContact O-CE2 3.36Å; W543-Y546 PolarHBondContact O-N 3.04Å; W543-Y546 VanDerWaalsContact O-N 3.16Å; L544-Y546 PolarHBondContact O-N 3.07Å; Y546-Y552 VanDerWaalsContact CA-OH 3.3Å; Y546-Y552 WeakPolarHBondContact CA-OH 3.18Å; Y546-Y552 VanDerWaalsContact O-CE2 3.32Å; Y546-Y552 WeakPolarHBondContact O-CE2 3.4Å; Y546-Y552 PolarHBondContact O-OH 2.61Å; Y546-M604 WeakPolarHBondContact O-CE 3.4Å
547L89.9Confident91.1Very high96 Ų9648.1 Ų48.150%0.50322%0.221SC..G310 helixtrans-93.8-6172.6-63.4179.5000112.8W543 L544 K545 I549 M604W543-L547 HydrophobicContact CE3-CD1 4.01Å; W543-L547 HydrophobicContact CZ3-CD1 3.54Å; L544-L547 PolarHBondContact O-N 3.37Å; K545-L547 PolarHBondContact O-N 3.46Å; L547-I549 PolarHBondContact O-N 2.89Å; L547-M604 VanDerWaalsContact C-CE 3.43Å; L547-M604 WeakPolarHBondContact O-CE 3.01Å
548S94.3Very high91.5Very high1 Ų147.2 Ų47.21%0.00722%0.217CC..  trans-82.1115.1-176.4177.10000112G524 K545 F550 R551 Y552G524-S548 WeakPolarHBondContact O-CB 3.09Å; G524-S548 PolarHBondContact O-OG 3.08Å; K545-S548 WeakPolarHBondContact O-CB 3.26Å; K545-S548 PolarHBondContact O-N 3.04Å; S548-F550 PolarHBondContact O-N 3.47Å; S548-F550 WeakPolarHBondContact OG-CB 3.49Å; S548-F550 PolarHBondContact OG-N 3.36Å; S548-R551 PolarHBondContact O-N 3.12Å; S548-R551 PolarHBondContact OG-N 3.39Å; S548-R551 VanDerWaalsContact OG-N 3.12Å; S548-Y552 WeakPolarHBondContact O-CD2 3.36Å
549I96.7Very high91.9Very high6 Ų644.7 Ų44.73%0.03120%0.2CC..Hα-helixtrans-60.3-35.9168.6-58.2169.9000110.3V414 A495 L499 L547 R551 S553 L601 M604 F608V414-I549 HydrophobicContact CG2-CB 4.29Å; V414-I549 HydrophobicContact CG2-CG2 3.85Å; A495-I549 HydrophobicContact CB-CD1 4.16Å; A495-I549 HydrophobicContact CB-CG1 4.29Å; A495-I549 HydrophobicContact CB-CG2 3.91Å; L499-I549 HydrophobicContact CB-CD1 4.13Å; L499-I549 HydrophobicContact CD2-CD1 4Å; L547-I549 PolarHBondContact O-N 2.89Å; I549-R551 PolarHBondContact O-N 3.23Å; I549-S553 VanDerWaalsContact O-CB 3.29Å; I549-S553 WeakPolarHBondContact O-CB 3.29Å; I549-S553 PolarHBondContact O-N 3.36Å; I549-S553 VanDerWaalsContact O-N 3.08Å; I549-S553 PolarHBondContact O-OG 3.35Å; I549-L601 HydrophobicContact CG2-CD2 4Å; I549-M604 HydrophobicContact CG1-SD 3.87Å; I549-F608 HydrophobicContact CD1-CE2 4.06Å; I549-F608 HydrophobicContact CG1-CE2 4.25Å
550F95.9Very high92.3Very high5 Ų537 Ų372%0.02216%0.161CC..Hα-helixtrans-62.3-42.3-179.6-59.8-91.2000111.8F407 N411 V414 F415 I521 L525 S548 S553 Y554F407-F550 HydrophobicContact CE2-CB 4.43Å; N411-F550 HydrophobicContact CB-CE1 4.45Å; N411-F550 WeakPolarHBondContact OD1-CE1 3.36Å; V414-F550 HydrophobicContact CB-CD1 4.36Å; V414-F550 HydrophobicContact CB-CE1 3.62Å; V414-F550 HydrophobicContact CB-CE2 4.27Å; V414-F550 HydrophobicContact CB-CZ 3.58Å; V414-F550 HydrophobicContact CG1-CE1 4Å; V414-F550 HydrophobicContact CG1-CE2 3.77Å; V414-F550 HydrophobicContact CG1-CZ 3.39Å; V414-F550 HydrophobicContact CG2-CD1 4.05Å; V414-F550 HydrophobicContact CG2-CE1 3.82Å; V414-F550 HydrophobicContact CG2-CE2 4.38Å; V414-F550 HydrophobicContact CG2-CG 4.43Å; V414-F550 HydrophobicContact CG2-CZ 4Å; F415-F550 HydrophobicContact CD2-CE1 4.31Å; F415-F550 HydrophobicContact CD2-CZ 4.2Å; F415-F550 HydrophobicContact CE2-CE1 4.14Å; F415-F550 AromaticContact CE2-CZ 3.85Å; F415-F550 HydrophobicContact CE2-CZ 3.85Å; I521-F550 HydrophobicContact CG2-CE2 3.79Å; I521-F550 HydrophobicContact CG2-CZ 3.58Å; L525-F550 HydrophobicContact CB-CD2 4.28Å; L525-F550 HydrophobicContact CB-CE1 4.37Å; L525-F550 HydrophobicContact CB-CE2 4.02Å; L525-F550 HydrophobicContact CB-CZ 4.07Å; L525-F550 HydrophobicContact CD1-CD1 3.58Å; L525-F550 HydrophobicContact CD1-CE1 3.44Å; L525-F550 VanDerWaalsContact CD1-CE1 3.44Å; L525-F550 HydrophobicContact CD1-CG 4.2Å; L525-F550 HydrophobicContact CD1-CZ 3.95Å; L525-F550 VanDerWaalsContact N-CD2 3.35Å; S548-F550 PolarHBondContact O-N 3.47Å; S548-F550 WeakPolarHBondContact OG-CB 3.49Å; S548-F550 PolarHBondContact OG-N 3.36Å; F550-S553 PolarHBondContact O-N 3.08Å; F550-Y554 WeakPolarHBondContact O-CB 3.32Å; F550-Y554 PolarHBondContact O-N 3.49Å
551R94.1Very high92.7Very high18 Ų1829.5 Ų29.57%0.06813%0.132CC..Hα-helixtrans-55-62179.4176-158.5159.291.515.4110.9G528 K545 S548 I549 S553 Y554 E555G528-R551 WeakPolarHBondContact O-CA 3.37Å; K545-R551 VanDerWaalsContact CD-NH1 3.3Å; K545-R551 WeakPolarHBondContact O-CD 3.29Å; S548-R551 PolarHBondContact O-N 3.12Å; S548-R551 PolarHBondContact OG-N 3.39Å; S548-R551 VanDerWaalsContact OG-N 3.12Å; I549-R551 PolarHBondContact O-N 3.23Å; R551-S553 VanDerWaalsContact C-N 3.3Å; R551-S553 PolarHBondContact O-N 3.49Å; R551-Y554 PolarHBondContact O-N 2.71Å; R551-E555 IonicContact CZ-OE2 3.86Å; R551-E555 IonicContact NE-OE2 3.88Å; R551-E555 IonicContact NH2-OE2 3.36Å; R551-E555 PolarHBondContact NH2-OE2 3.08Å; R551-E555 VanDerWaalsContact O-CB 3.25Å; R551-E555 WeakPolarHBondContact O-CB 3.28Å; R551-E555 PolarHBondContact O-N 3.45Å
552Y95.8Very high92.9Very high19 Ų1925.1 Ų25.18%0.07511%0.112CC..Hα-helixtrans-64.1-37-175.7-59.3-67.2000112.1Y546 S548 A556 D597 S600 M604Y546-Y552 VanDerWaalsContact CA-OH 3.3Å; Y546-Y552 WeakPolarHBondContact CA-OH 3.18Å; Y546-Y552 VanDerWaalsContact O-CE2 3.32Å; Y546-Y552 WeakPolarHBondContact O-CE2 3.4Å; Y546-Y552 PolarHBondContact O-OH 2.61Å; S548-Y552 WeakPolarHBondContact O-CD2 3.36Å; Y552-A556 VanDerWaalsContact O-CB 3.23Å; Y552-A556 WeakPolarHBondContact O-CB 3.3Å; Y552-A556 PolarHBondContact O-N 2.86Å; Y552-A556 VanDerWaalsContact O-N 3.07Å; Y552-D597 HydrophobicContact CD1-CB 4.24Å; Y552-D597 WeakPolarHBondContact CD1-OD1 3.34Å; Y552-S600 VanDerWaalsContact CE1-CB 3.49Å; Y552-S600 WeakPolarHBondContact CE1-OG 3.33Å; Y552-M604 HydrophobicContact CD2-CE 3.82Å; Y552-M604 HydrophobicContact CD2-SD 4.06Å; Y552-M604 HydrophobicContact CE2-CE 3.4Å; Y552-M604 VanDerWaalsContact CE2-CE 3.4Å; Y552-M604 HydrophobicContact CE2-SD 4.21Å
553S96.9Very high93.3Very high1 Ų128.5 Ų28.51%0.00712%0.124CC..Hα-helixtrans-68-45.3178.9-550000111.9C492 I549 F550 R551 L557C492-S553 WeakPolarHBondContact CB-OG 3.18Å; C492-S553 PolarHBondContact SG-OG 3.44Å; I549-S553 VanDerWaalsContact O-CB 3.29Å; I549-S553 WeakPolarHBondContact O-CB 3.29Å; I549-S553 PolarHBondContact O-N 3.36Å; I549-S553 VanDerWaalsContact O-N 3.08Å; I549-S553 PolarHBondContact O-OG 3.35Å; F550-S553 PolarHBondContact O-N 3.08Å; R551-S553 VanDerWaalsContact C-N 3.3Å; R551-S553 PolarHBondContact O-N 3.49Å; S553-L557 VanDerWaalsContact O-CB 3.29Å; S553-L557 WeakPolarHBondContact O-CB 3.17Å; S553-L557 WeakPolarHBondContact O-CD1 3.25Å; S553-L557 WeakPolarHBondContact O-CG 3.23Å; S553-L557 PolarHBondContact O-N 2.92Å; S553-L557 VanDerWaalsContact O-N 3.08Å
554Y96.5Very high93.1Very high4 Ų425.1 Ų25.12%0.01611%0.111CC..Hα-helixtrans-71.4-41.9-179.3175.7-124.8000111.9N403 L406 F407 G528 F530 F550 R551 L557 S558 M589N403-Y554 VanDerWaalsContact CB-OH 3.32Å; N403-Y554 WeakPolarHBondContact CB-OH 3.33Å; N403-Y554 WeakPolarHBondContact O-CE2 3.3Å; L406-Y554 HydrophobicContact CB-CD2 4.1Å; L406-Y554 HydrophobicContact CB-CE2 4Å; F407-Y554 HydrophobicContact CB-CD2 3.77Å; F407-Y554 HydrophobicContact CB-CE2 3.83Å; F407-Y554 HydrophobicContact CB-CG 4.39Å; F407-Y554 HydrophobicContact CD2-CD1 4.03Å; F407-Y554 HydrophobicContact CD2-CD2 4Å; F407-Y554 AromaticContact CD2-CG 3.74Å; F407-Y554 HydrophobicContact CD2-CG 3.74Å; F407-Y554 HydrophobicContact CG-CD2 4.41Å; G528-Y554 WeakPolarHBondContact O-CD1 3.32Å; F530-Y554 HydrophobicContact CB-CD1 4.29Å; F530-Y554 HydrophobicContact CB-CE1 3.91Å; F530-Y554 HydrophobicContact CD2-CE1 4.27Å; F530-Y554 HydrophobicContact CD2-CE2 4.34Å; F530-Y554 AromaticContact CD2-CZ 3.84Å; F550-Y554 WeakPolarHBondContact O-CB 3.32Å; F550-Y554 PolarHBondContact O-N 3.49Å; R551-Y554 PolarHBondContact O-N 2.71Å; Y554-L557 PolarHBondContact O-N 2.9Å; Y554-S558 VanDerWaalsContact CE2-OG 3.3Å; Y554-S558 WeakPolarHBondContact CE2-OG 3.29Å; Y554-S558 VanDerWaalsContact O-CB 3.26Å; Y554-S558 WeakPolarHBondContact O-CB 3.48Å; Y554-S558 PolarHBondContact O-N 3.43Å; Y554-S558 PolarHBondContact O-OG 3.25Å; Y554-M589 HydrophobicContact CD1-CE 3.35Å; Y554-M589 HydrophobicContact CE1-CE 3.22Å; Y554-M589 HydrophobicContact CG-CE 4.25Å
555E95.3Very high93Very high0 Ų023.9 Ų23.90%011%0.106CC..Hα-helixtrans-62.2-49.3176.9-171166.3-163.200111.3Q534 R551 L557 S558 I559 M589 N593 D597Q534-E555 PolarHBondContact NE2-OE2 3.45Å; R551-E555 IonicContact CZ-OE2 3.86Å; R551-E555 IonicContact NE-OE2 3.88Å; R551-E555 IonicContact NH2-OE2 3.36Å; R551-E555 PolarHBondContact NH2-OE2 3.08Å; R551-E555 VanDerWaalsContact O-CB 3.25Å; R551-E555 WeakPolarHBondContact O-CB 3.28Å; R551-E555 PolarHBondContact O-N 3.45Å; E555-L557 PolarHBondContact O-N 3.24Å; E555-S558 PolarHBondContact O-N 3.04Å; E555-I559 HydrophobicContact CG-CD1 4.03Å; E555-I559 VanDerWaalsContact O-CG1 3.31Å; E555-I559 WeakPolarHBondContact O-CG1 3.48Å; E555-I559 PolarHBondContact O-N 2.9Å; E555-M589 HydrophobicContact CB-CE 4.13Å; E555-M589 HydrophobicContact CB-SD 4.18Å; E555-M589 HydrophobicContact CG-CB 4.21Å; E555-M589 HydrophobicContact CG-CE 4.43Å; E555-M589 HydrophobicContact CG-CG 3.88Å; E555-M589 HydrophobicContact CG-SD 3.99Å; E555-N593 PolarHBondContact OE1-ND2 3.25Å; E555-D597 VanDerWaalsContact CB-OD2 3.3Å; E555-D597 WeakPolarHBondContact CB-OD2 3.35Å; E555-D597 WeakPolarHBondContact CG-OD2 3.5Å
556A97.1Very high92.3Very high0 Ų028.6 Ų28.60%013%0.132CC..Hα-helixtrans-62.3-40.7176.300000113.4L488 Y552 S558 N560 F594 D597L488-A556 HydrophobicContact CD1-CB 3.92Å; L488-A556 HydrophobicContact CD2-CB 3.76Å; L488-A556 HydrophobicContact CG-CB 4.47Å; Y552-A556 VanDerWaalsContact O-CB 3.23Å; Y552-A556 WeakPolarHBondContact O-CB 3.3Å; Y552-A556 PolarHBondContact O-N 2.86Å; Y552-A556 VanDerWaalsContact O-N 3.07Å; A556-S558 VanDerWaalsContact C-N 3.34Å; A556-N560 WeakPolarHBondContact O-CB 3.32Å; A556-N560 PolarHBondContact O-N 3.33Å; A556-F594 HydrophobicContact CB-CD2 4.37Å; A556-F594 HydrophobicContact CB-CE2 4.39Å; A556-D597 HydrophobicContact CB-CB 3.98Å; A556-D597 PolarHBondContact N-OD2 2.89Å
557L96.8Very high91.2Very high3 Ų327 Ų272%0.01614%0.135CC..Hα-helixtrans-64.7-39.4175.6-78.4171.1000111.7L406 L409 A410 A485 L488 T489 S553 Y554 E555 Q561L406-L557 HydrophobicContact CB-CB 4.44Å; L406-L557 HydrophobicContact CD2-CB 4.34Å; L409-L557 HydrophobicContact CB-CD1 4.39Å; A410-L557 HydrophobicContact CB-CD1 4.36Å; A485-L557 HydrophobicContact CB-CD2 4.12Å; L488-L557 HydrophobicContact CB-CD2 4.01Å; L488-L557 HydrophobicContact CB-CG 4.39Å; L488-L557 HydrophobicContact CD1-CD2 4.08Å; L488-L557 HydrophobicContact CD1-CG 4.37Å; T489-L557 HydrophobicContact CG2-CD1 4.42Å; T489-L557 HydrophobicContact CG2-CD2 4.32Å; S553-L557 VanDerWaalsContact O-CB 3.29Å; S553-L557 WeakPolarHBondContact O-CB 3.17Å; S553-L557 WeakPolarHBondContact O-CD1 3.25Å; S553-L557 WeakPolarHBondContact O-CG 3.23Å; S553-L557 PolarHBondContact O-N 2.92Å; S553-L557 VanDerWaalsContact O-N 3.08Å; Y554-L557 PolarHBondContact O-N 2.9Å; E555-L557 PolarHBondContact O-N 3.24Å; L557-Q561 WeakPolarHBondContact O-CB 3.43Å; L557-Q561 PolarHBondContact O-N 3.42Å
558S95.3Very high89.9Confident0 Ų022.6 Ų22.60%011%0.112CC..Hα-helixtrans-67.1-45.4178.5-59.90000111.3Y554 E555 A556 Q561 W562Y554-S558 VanDerWaalsContact CE2-OG 3.3Å; Y554-S558 WeakPolarHBondContact CE2-OG 3.29Å; Y554-S558 VanDerWaalsContact O-CB 3.26Å; Y554-S558 WeakPolarHBondContact O-CB 3.48Å; Y554-S558 PolarHBondContact O-N 3.43Å; Y554-S558 PolarHBondContact O-OG 3.25Å; E555-S558 PolarHBondContact O-N 3.04Å; A556-S558 VanDerWaalsContact C-N 3.34Å; S558-Q561 PolarHBondContact O-N 2.89Å; S558-W562 WeakPolarHBondContact O-CB 3.41Å; S558-W562 PolarHBondContact O-N 3.46Å
559I95.1Very high88.1Confident0 Ų027.1 Ų27.10%014%0.142CC..Hα-helixtrans-60.8-48176.3-63.4161.9000110.3E555 Q561 W562 Q563 L584 R590 E591 N593 F594E555-I559 HydrophobicContact CG-CD1 4.03Å; E555-I559 VanDerWaalsContact O-CG1 3.31Å; E555-I559 WeakPolarHBondContact O-CG1 3.48Å; E555-I559 PolarHBondContact O-N 2.9Å; I559-Q561 VanDerWaalsContact C-N 3.26Å; I559-Q561 PolarHBondContact O-N 2.78Å; I559-W562 PolarHBondContact O-N 3.19Å; I559-Q563 HydrophobicContact CG2-CB 4.47Å; I559-Q563 WeakPolarHBondContact O-CB 3.32Å; I559-Q563 PolarHBondContact O-N 2.88Å; I559-L584 HydrophobicContact CG1-CD1 4.31Å; I559-L584 HydrophobicContact CG1-CD2 4.11Å; I559-R590 WeakPolarHBondContact CD1-O 3.5Å; I559-E591 HydrophobicContact CG2-CB 4.44Å; I559-N593 HydrophobicContact CD1-CB 4.27Å; I559-F594 HydrophobicContact CB-CD2 4.04Å; I559-F594 HydrophobicContact CD1-CB 4.13Å; I559-F594 HydrophobicContact CG2-CB 3.99Å; I559-F594 HydrophobicContact CG2-CD2 3.95Å; I559-F594 HydrophobicContact CG2-CG 4.21Å
560N95.6Very high86.1Confident4 Ų429.4 Ų29.42%0.02115%0.152CC..Hα-helixtrans-60.8-33.2178.3177.956000113.3A481 I484 A485 L488 A556 R564 F594A481-N560 PolarHBondContact O-ND2 3.44Å; I484-N560 HydrophobicContact CG2-CB 4.02Å; I484-N560 VanDerWaalsContact CG2-CG 3.46Å; I484-N560 WeakPolarHBondContact CG2-OD1 3.34Å; A485-N560 PolarHBondContact N-ND2 3.28Å; L488-N560 HydrophobicContact CD1-CB 4.38Å; A556-N560 WeakPolarHBondContact O-CB 3.32Å; A556-N560 PolarHBondContact O-N 3.33Å; N560-R564 VanDerWaalsContact O-CD 3.32Å; N560-R564 WeakPolarHBondContact O-CD 3.12Å; N560-R564 PolarHBondContact O-NE 3.46Å; N560-R564 PolarHBondContact OD1-NE 2.81Å; N560-F594 HydrophobicContact CB-CE2 4.1Å
561Q93.9Very high84.2Confident2 Ų232.1 Ų32.11%0.00918%0.181CC..Hα-helixtrans-75.4-48.5177.7175.357.237.600112I402 L406 L557 S558 I559I402-Q561 HydrophobicContact CG2-CG 3.94Å; L406-Q561 HydrophobicContact CD1-CB 3.84Å; L406-Q561 HydrophobicContact CD1-CG 4.11Å; L406-Q561 HydrophobicContact CD2-CB 4.38Å; L557-Q561 WeakPolarHBondContact O-CB 3.43Å; L557-Q561 PolarHBondContact O-N 3.42Å; S558-Q561 PolarHBondContact O-N 2.89Å; I559-Q561 VanDerWaalsContact C-N 3.26Å; I559-Q561 PolarHBondContact O-N 2.78Å
562W92.1Very high82.3Confident0 Ų039.6 Ų39.60%022%0.223CC..Hα-helixtrans-87.5-31.5-167.7-67.8121.6000113.9V399 I402 N403 S558 I559 R564 V565 F568 G580 I583 L584V399-W562 HydrophobicContact CB-CH2 4.47Å; V399-W562 HydrophobicContact CG1-CH2 4.29Å; V399-W562 HydrophobicContact CG1-CZ2 4Å; V399-W562 HydrophobicContact CG2-CH2 4.17Å; I402-W562 HydrophobicContact CB-CH2 3.99Å; I402-W562 HydrophobicContact CB-CZ2 3.8Å; I402-W562 HydrophobicContact CD1-CH2 3.65Å; I402-W562 HydrophobicContact CD1-CZ2 4.35Å; I402-W562 HydrophobicContact CD1-CZ3 4.37Å; I402-W562 HydrophobicContact CG1-CH2 4.42Å; I402-W562 HydrophobicContact CG2-CH2 3.83Å; I402-W562 HydrophobicContact CG2-CZ2 3.46Å; I402-W562 VanDerWaalsContact CG2-CZ2 3.46Å; N403-W562 PolarHBondContact OD1-NE1 3.23Å; S558-W562 WeakPolarHBondContact O-CB 3.41Å; S558-W562 PolarHBondContact O-N 3.46Å; I559-W562 PolarHBondContact O-N 3.19Å; W562-R564 PolarHBondContact O-N 3.49Å; W562-V565 HydrophobicContact CE3-CB 4.48Å; W562-V565 HydrophobicContact CE3-CG2 4.22Å; W562-V565 PolarHBondContact O-N 3.29Å; W562-F568 HydrophobicContact CE3-CE2 4.2Å; W562-F568 HydrophobicContact CE3-CZ 4.43Å; W562-F568 HydrophobicContact CH2-CE2 4.5Å; W562-F568 AromaticContact CH2-CZ 3.94Å; W562-F568 HydrophobicContact CH2-CZ 3.94Å; W562-F568 AromaticContact CZ3-CE2 3.63Å; W562-F568 HydrophobicContact CZ3-CE2 3.63Å; W562-F568 AromaticContact CZ3-CZ 3.45Å; W562-F568 HydrophobicContact CZ3-CZ 3.45Å; W562-F568 VanDerWaalsContact CZ3-CZ 3.45Å; W562-G580 WeakPolarHBondContact O-CA 3.4Å; W562-I583 HydrophobicContact CD2-CB 4.43Å; W562-I583 HydrophobicContact CD2-CD1 4.26Å; W562-I583 HydrophobicContact CD2-CG2 4.03Å; W562-I583 HydrophobicContact CE3-CD1 3.78Å; W562-I583 HydrophobicContact CG-CG2 4.29Å; W562-I583 HydrophobicContact CH2-CD1 4Å; W562-I583 HydrophobicContact CZ2-CD1 4.44Å; W562-I583 HydrophobicContact CZ2-CG2 4.18Å; W562-I583 HydrophobicContact CZ3-CD1 3.69Å; W562-L584 HydrophobicContact CB-CD1 4.05Å; W562-L584 HydrophobicContact CB-CD2 4.03Å; W562-L584 HydrophobicContact CB-CG 3.78Å; W562-L584 HydrophobicContact CG-CD2 4.33Å; W562-L584 HydrophobicContact CG-CG 4.4Å
563Q89.4Confident80.3Confident87 Ų8746.4 Ų46.441%0.40726%0.26SS..THydrogen-bonded Turntrans-59.3-17.3178.9-173.4173.434.200113.3I559 E591I559-Q563 HydrophobicContact CG2-CB 4.47Å; I559-Q563 WeakPolarHBondContact O-CB 3.32Å; I559-Q563 PolarHBondContact O-N 2.88Å; Q563-E591 PolarHBondContact NE2-OE2 3.32Å
564R84.4Confident78.2Confident83 Ų8348.5 Ų48.531%0.31328%0.277SS..THydrogen-bonded Turntrans-101.99.8-176.7-58.9170.2178.7-94.9-3.5113.4T478 S480 N560 W562T478-R564 PolarHBondContact OG1-NH1 2.88Å; S480-R564 PolarHBondContact OG-NH1 3.03Å; N560-R564 VanDerWaalsContact O-CD 3.32Å; N560-R564 WeakPolarHBondContact O-CD 3.12Å; N560-R564 PolarHBondContact O-NE 3.46Å; N560-R564 PolarHBondContact OD1-NE 2.81Å; W562-R564 PolarHBondContact O-N 3.49Å
565V82.4Confident76Confident17 Ų1754.5 Ų54.510%0.10332%0.315CS..  trans-113.594.2-178.5-175.60000108.7W562 F568 G580W562-V565 HydrophobicContact CE3-CB 4.48Å; W562-V565 HydrophobicContact CE3-CG2 4.22Å; W562-V565 PolarHBondContact O-N 3.29Å; V565-F568 HydrophobicContact CG1-CD2 3.84Å; V565-F568 HydrophobicContact CG1-CE2 3.6Å; V565-G580 PolarHBondContact O-N 3.23Å
566D71.3Confident74Confident132 Ų13263.1 Ų63.171%0.70635%0.349SS*.  trans-74.9-37-172.3-61.8-33000113.1N579D566-N579 WeakPolarHBondContact O-CB 3.29Å
567V66.1Low72Confident88 Ų8869.4 Ų69.453%0.53338%0.381SS..  trans-140.7118.1-173.4179.70000111.8L577V567-L577 HydrophobicContact CG1-CD2 3.51Å
568F63.5Low70.6Confident4 Ų471.9 Ų71.92%0.01839%0.392CS..BIsolated β-bridgetrans-88.8123.7161.1-90.2-102.3000110.8F394 V399 W562 V565 Q570 F578 I583F394-F568 HydrophobicContact CB-CE1 4.1Å; F394-F568 HydrophobicContact CB-CZ 4.24Å; F394-F568 WeakPolarHBondContact O-CD1 3.17Å; F394-F568 VanDerWaalsContact O-CE1 3.24Å; F394-F568 WeakPolarHBondContact O-CE1 3.18Å; V399-F568 HydrophobicContact CG2-CE1 4.04Å; V399-F568 HydrophobicContact CG2-CZ 3.99Å; W562-F568 HydrophobicContact CE3-CE2 4.2Å; W562-F568 HydrophobicContact CE3-CZ 4.43Å; W562-F568 HydrophobicContact CH2-CE2 4.5Å; W562-F568 AromaticContact CH2-CZ 3.94Å; W562-F568 HydrophobicContact CH2-CZ 3.94Å; W562-F568 AromaticContact CZ3-CE2 3.63Å; W562-F568 HydrophobicContact CZ3-CE2 3.63Å; W562-F568 AromaticContact CZ3-CZ 3.45Å; W562-F568 HydrophobicContact CZ3-CZ 3.45Å; W562-F568 VanDerWaalsContact CZ3-CZ 3.45Å; V565-F568 HydrophobicContact CG1-CD2 3.84Å; V565-F568 HydrophobicContact CG1-CE2 3.6Å; F568-Q570 PolarHBondContact O-N 2.65Å; F568-Q570 VanDerWaalsContact O-N 3.09Å; F568-F578 HydrophobicContact CB-CB 4.36Å; F568-F578 VanDerWaalsContact CB-O 3.28Å; F568-F578 WeakPolarHBondContact CB-O 3.41Å; F568-F578 PolarHBondContact N-O 3.37Å; F568-I583 HydrophobicContact CD2-CD1 4.07Å; F568-I583 HydrophobicContact CE2-CD1 3.32Å; F568-I583 HydrophobicContact CZ-CD1 3.59Å
569P55.9Low69.9Low97 Ų9774.3 Ų74.363%0.6341%0.405SS*.  trans-71.2105163.526.3-25.6000108.3
570Q55.1Low69.3Low54 Ų5474.3 Ų74.325%0.25241%0.405SS..  trans-75.4133.3158.1-78.2-165.96100106.6R396 F568 A574 Y576R396-Q570 VanDerWaalsContact NH2-NE2 3.14Å; F568-Q570 PolarHBondContact O-N 2.65Å; F568-Q570 VanDerWaalsContact O-N 3.09Å; Q570-A574 HydrophobicContact CB-CB 3.2Å; Q570-A574 HydrophobicContact CG-CB 3.95Å; Q570-A574 VanDerWaalsContact OE1-CB 3.29Å; Q570-Y576 PolarHBondContact NE2-O 3.23Å; Q570-Y576 VanDerWaalsContact NE2-O 3.08Å
571G55.5Low68.9Low61 Ų6176.1 Ų76.163%0.62942%0.416SS*.  trans-49163.1179.500000112.8N573 A574G571-N573 PolarHBondContact O-N 3.01Å; G571-A574 PolarHBondContact O-N 3.13Å
572D54.5Low68.4Low176 Ų17678.8 Ų78.894%0.94143%0.43SS*.THydrogen-bonded Turntrans-39.4-8.9-156.4-60.3-18.6000120.8
573N52.9Low68.2Low162 Ų16278.9 Ų78.987%0.86643%0.431SS*.THydrogen-bonded Turntrans-12011.6-174.5-76.7-19000116.6G571G571-N573 PolarHBondContact O-N 3.01Å
574A54.4Low68.1Low44 Ų4474.8 Ų74.836%0.36441%0.412SS..  trans-94.6124.2-18000000113.5Q570 G571 Y576Q570-A574 HydrophobicContact CB-CB 3.2Å; Q570-A574 HydrophobicContact CG-CB 3.95Å; Q570-A574 VanDerWaalsContact OE1-CB 3.29Å; G571-A574 PolarHBondContact O-N 3.13Å; A574-Y576 VanDerWaalsContact C-N 3.32Å; A574-Y576 PolarHBondContact O-N 3.23Å
575T50.3Low68.2Low130 Ų13076.1 Ų76.180%0.79842%0.422SS*.SBendtrans-80.9-2.3178.7370000114.9
576Y52.5Low68.2Low182 Ų18278.9 Ų78.971%0.71444%0.441SS*.SBendtrans-128.2117-179.4-60.2-83.5000111.1Q570 A574 F578Q570-Y576 PolarHBondContact NE2-O 3.23Å; Q570-Y576 VanDerWaalsContact NE2-O 3.08Å; A574-Y576 VanDerWaalsContact C-N 3.32Å; A574-Y576 PolarHBondContact O-N 3.23Å; Y576-F578 PolarHBondContact O-N 3.49Å
577L55.1Low68.8Low131 Ų13174.1 Ų74.169%0.68642%0.416SS*.  trans-67.7115.1168.3-68.3157.1000107.4V567V567-L577 HydrophobicContact CG1-CD2 3.51Å
578F66.7Low69.6Low56 Ų5670.3 Ų70.325%0.24639%0.394CS..BIsolated β-bridgetrans-86.9124.4177.1-139.5-104.4000107.4R396 F568 Y576 D582 I583R396-F578 VanDerWaalsContact NH2-CD2 3.32Å; F568-F578 HydrophobicContact CB-CB 4.36Å; F568-F578 VanDerWaalsContact CB-O 3.28Å; F568-F578 WeakPolarHBondContact CB-O 3.41Å; F568-F578 PolarHBondContact N-O 3.37Å; Y576-F578 PolarHBondContact O-N 3.49Å; F578-D582 HydrophobicContact CD1-CB 3.89Å; F578-D582 HydrophobicContact CD2-CB 4.4Å; F578-D582 HydrophobicContact CE1-CB 3.64Å; F578-D582 HydrophobicContact CE2-CB 4.19Å; F578-D582 HydrophobicContact CG-CB 4.27Å; F578-D582 HydrophobicContact CZ-CB 3.81Å; F578-I583 HydrophobicContact CD1-CG1 3.81Å; F578-I583 HydrophobicContact CE1-CG1 3.79Å
579N80.5Confident70.8Confident50 Ų5070.2 Ų70.227%0.26739%0.394SS..  trans-100.4170.2176.969.327.9000110.4D566 T581 D582 I583D566-N579 WeakPolarHBondContact O-CB 3.29Å; N579-T581 VanDerWaalsContact CG-OG1 3.26Å; N579-T581 PolarHBondContact ND2-OG1 3.02Å; N579-T581 PolarHBondContact O-N 3.48Å; N579-T581 WeakPolarHBondContact OD1-CA 3.16Å; N579-T581 WeakPolarHBondContact OD1-CB 3.44Å; N579-T581 PolarHBondContact OD1-N 2.86Å; N579-T581 PolarHBondContact OD1-OG1 3.35Å; N579-D582 PolarHBondContact N-OD2 3.12Å; N579-D582 PolarHBondContact O-N 2.9Å; N579-D582 PolarHBondContact OD1-N 3.03Å; N579-D582 PolarHBondContact OD1-OD2 3.03Å; N579-D582 VanDerWaalsContact OD1-OD2 3.1Å; N579-I583 PolarHBondContact O-N 2.78Å
580G84.1Confident72.3Confident0 Ų071.8 Ų71.80%039%0.387CS..Hα-helixtrans-64.6-25.717700000113.7W562 V565 I583 L584W562-G580 WeakPolarHBondContact O-CA 3.4Å; V565-G580 PolarHBondContact O-N 3.23Å; G580-I583 WeakPolarHBondContact O-CB 3.42Å; G580-I583 PolarHBondContact O-N 3.42Å; G580-L584 WeakPolarHBondContact O-CG 3.29Å; G580-L584 PolarHBondContact O-N 3.16Å
581T85.5Confident73.9Confident42 Ų4271.9 Ų71.926%0.25839%0.388SS..Hα-helixtrans-66.6-38.8176.582.20000111.3N579 I583 L584 H585 E591N579-T581 VanDerWaalsContact CG-OG1 3.26Å; N579-T581 PolarHBondContact ND2-OG1 3.02Å; N579-T581 PolarHBondContact O-N 3.48Å; N579-T581 WeakPolarHBondContact OD1-CA 3.16Å; N579-T581 WeakPolarHBondContact OD1-CB 3.44Å; N579-T581 PolarHBondContact OD1-N 2.86Å; N579-T581 PolarHBondContact OD1-OG1 3.35Å; T581-I583 VanDerWaalsContact C-N 3.29Å; T581-I583 PolarHBondContact O-N 3.32Å; T581-L584 WeakPolarHBondContact O-CB 3.25Å; T581-L584 PolarHBondContact O-N 3.2Å; T581-H585 PolarHBondContact O-CD2 3.18Å; T581-H585 PolarHBondContact O-N 2.94Å; T581-E591 WeakPolarHBondContact CG2-OE1 3.05Å
582D84.8Confident75.7Confident58 Ų5876.1 Ų76.131%0.3139%0.391SS..Hα-helixtrans-63.7-38.1175.6-60.8-40.5000110.8F578 N579 H585 S586F578-D582 HydrophobicContact CD1-CB 3.89Å; F578-D582 HydrophobicContact CD2-CB 4.4Å; F578-D582 HydrophobicContact CE1-CB 3.64Å; F578-D582 HydrophobicContact CE2-CB 4.19Å; F578-D582 HydrophobicContact CG-CB 4.27Å; F578-D582 HydrophobicContact CZ-CB 3.81Å; N579-D582 PolarHBondContact N-OD2 3.12Å; N579-D582 PolarHBondContact O-N 2.9Å; N579-D582 PolarHBondContact OD1-N 3.03Å; N579-D582 PolarHBondContact OD1-OD2 3.03Å; N579-D582 VanDerWaalsContact OD1-OD2 3.1Å; D582-H585 PolarHBondContact O-N 3.36Å; D582-S586 WeakPolarHBondContact O-CB 3.32Å; D582-S586 PolarHBondContact O-N 3.21Å
583I86.3Confident77.5Confident3 Ų369.9 Ų69.92%0.01536%0.358CS..Hα-helixtrans-62.9-48.3174.4-64174.3000110V399 W562 F568 F578 N579 G580 T581 H585 S586 I587V399-I583 HydrophobicContact CG1-CD1 4.22Å; V399-I583 HydrophobicContact CG1-CG1 4.5Å; V399-I583 HydrophobicContact CG1-CG2 3.7Å; V399-I583 HydrophobicContact CG2-CD1 3.85Å; W562-I583 HydrophobicContact CD2-CB 4.43Å; W562-I583 HydrophobicContact CD2-CD1 4.26Å; W562-I583 HydrophobicContact CD2-CG2 4.03Å; W562-I583 HydrophobicContact CE3-CD1 3.78Å; W562-I583 HydrophobicContact CG-CG2 4.29Å; W562-I583 HydrophobicContact CH2-CD1 4Å; W562-I583 HydrophobicContact CZ2-CD1 4.44Å; W562-I583 HydrophobicContact CZ2-CG2 4.18Å; W562-I583 HydrophobicContact CZ3-CD1 3.69Å; F568-I583 HydrophobicContact CD2-CD1 4.07Å; F568-I583 HydrophobicContact CE2-CD1 3.32Å; F568-I583 HydrophobicContact CZ-CD1 3.59Å; F578-I583 HydrophobicContact CD1-CG1 3.81Å; F578-I583 HydrophobicContact CE1-CG1 3.79Å; N579-I583 PolarHBondContact O-N 2.78Å; G580-I583 WeakPolarHBondContact O-CB 3.42Å; G580-I583 PolarHBondContact O-N 3.42Å; T581-I583 VanDerWaalsContact C-N 3.29Å; T581-I583 PolarHBondContact O-N 3.32Å; I583-H585 VanDerWaalsContact C-N 3.34Å; I583-H585 PolarHBondContact O-N 3.26Å; I583-S586 PolarHBondContact O-N 3.36Å; I583-S586 VanDerWaalsContact O-N 3.16Å; I583-S586 PolarHBondContact O-OG 3.04Å; I583-I587 WeakPolarHBondContact O-CG1 3.47Å; I583-I587 PolarHBondContact O-N 3.25Å; I583-I587 VanDerWaalsContact O-N 3.16Å
584L88.9Confident79.5Confident1 Ų164.1 Ų64.11%0.00533%0.325CS..Hα-helixtrans-57.3-47.5177.2-70.5171.1000111.5I559 W562 G580 T581 S586 I587 G588 M589 E591I559-L584 HydrophobicContact CG1-CD1 4.31Å; I559-L584 HydrophobicContact CG1-CD2 4.11Å; W562-L584 HydrophobicContact CB-CD1 4.05Å; W562-L584 HydrophobicContact CB-CD2 4.03Å; W562-L584 HydrophobicContact CB-CG 3.78Å; W562-L584 HydrophobicContact CG-CD2 4.33Å; W562-L584 HydrophobicContact CG-CG 4.4Å; G580-L584 WeakPolarHBondContact O-CG 3.29Å; G580-L584 PolarHBondContact O-N 3.16Å; T581-L584 WeakPolarHBondContact O-CB 3.25Å; T581-L584 PolarHBondContact O-N 3.2Å; L584-S586 VanDerWaalsContact C-N 3.32Å; L584-S586 PolarHBondContact O-N 3.32Å; L584-I587 HydrophobicContact CD2-CD1 4.5Å; L584-I587 VanDerWaalsContact O-CG1 3.22Å; L584-I587 WeakPolarHBondContact O-CG1 3.21Å; L584-I587 PolarHBondContact O-N 3.03Å; L584-G588 PolarHBondContact O-N 2.95Å; L584-M589 CarbonylContact C-O 3.59Å; L584-M589 VanDerWaalsContact C-O 3.24Å; L584-M589 HydrophobicContact CB-CB 4.44Å; L584-M589 HydrophobicContact CD2-CB 4.19Å; L584-M589 HydrophobicContact CD2-SD 4.48Å; L584-M589 PolarHBondContact O-N 3.28Å; L584-M589 VanDerWaalsContact O-O 3.07Å; L584-E591 HydrophobicContact CD1-CG 3.84Å
585H86.1Confident81.5Confident111 Ų11166.9 Ų66.951%0.51433%0.333SS..Hα-helixtrans-61.5-39.3177.1-80.5-70.4000112.3T581 D582 I583 I587 G588T581-H585 PolarHBondContact O-CD2 3.18Å; T581-H585 PolarHBondContact O-N 2.94Å; D582-H585 PolarHBondContact O-N 3.36Å; I583-H585 VanDerWaalsContact C-N 3.34Å; I583-H585 PolarHBondContact O-N 3.26Å; H585-I587 VanDerWaalsContact C-N 3.32Å; H585-I587 PolarHBondContact O-N 3.41Å; H585-G588 PolarHBondContact O-N 2.89Å
586S82.7Confident83.7Confident74 Ų7463.6 Ų63.652%0.51731%0.314SS..Hα-helixtrans-63.4-34.4178.878.70000113.4D582 I583 L584 G588D582-S586 WeakPolarHBondContact O-CB 3.32Å; D582-S586 PolarHBondContact O-N 3.21Å; I583-S586 PolarHBondContact O-N 3.36Å; I583-S586 VanDerWaalsContact O-N 3.16Å; I583-S586 PolarHBondContact O-OG 3.04Å; L584-S586 VanDerWaalsContact C-N 3.32Å; L584-S586 PolarHBondContact O-N 3.32Å; S586-G588 VanDerWaalsContact C-N 3.29Å
587I82.4Confident85.8Confident33 Ų3355.1 Ų55.117%0.16928%0.281CS..THydrogen-bonded Turntrans-89.54176.264.1179.9000112.7I583 L584 H585 M589I583-I587 WeakPolarHBondContact O-CG1 3.47Å; I583-I587 PolarHBondContact O-N 3.25Å; I583-I587 VanDerWaalsContact O-N 3.16Å; L584-I587 HydrophobicContact CD2-CD1 4.5Å; L584-I587 VanDerWaalsContact O-CG1 3.22Å; L584-I587 WeakPolarHBondContact O-CG1 3.21Å; L584-I587 PolarHBondContact O-N 3.03Å; H585-I587 VanDerWaalsContact C-N 3.32Å; H585-I587 PolarHBondContact O-N 3.41Å; I587-M589 HydrophobicContact CD1-CE 4.2Å; I587-M589 HydrophobicContact CD1-CG 4.22Å; I587-M589 HydrophobicContact CD1-SD 3.52Å; I587-M589 VanDerWaalsContact CD1-SD 3.52Å; I587-M589 HydrophobicContact CG1-CB 4.25Å; I587-M589 HydrophobicContact CG1-CG 3.97Å; I587-M589 HydrophobicContact CG1-SD 3.96Å
588G83.3Confident87.8Confident8 Ų850.7 Ų50.78%0.08226%0.258CS..THydrogen-bonded Turntrans80.918.7175.900000114.9L584 H585 S586L584-G588 PolarHBondContact O-N 2.95Å; H585-G588 PolarHBondContact O-N 2.89Å; S586-G588 VanDerWaalsContact C-N 3.29Å
589M88.8Confident89.2Confident1 Ų154.6 Ų54.61%0.00528%0.275CS..  trans-102.4153.5178.3-63.2178.8177.200111Y554 E555 L584 I587Y554-M589 HydrophobicContact CD1-CE 3.35Å; Y554-M589 HydrophobicContact CE1-CE 3.22Å; Y554-M589 HydrophobicContact CG-CE 4.25Å; E555-M589 HydrophobicContact CB-CE 4.13Å; E555-M589 HydrophobicContact CB-SD 4.18Å; E555-M589 HydrophobicContact CG-CB 4.21Å; E555-M589 HydrophobicContact CG-CE 4.43Å; E555-M589 HydrophobicContact CG-CG 3.88Å; E555-M589 HydrophobicContact CG-SD 3.99Å; L584-M589 CarbonylContact C-O 3.59Å; L584-M589 VanDerWaalsContact C-O 3.24Å; L584-M589 HydrophobicContact CB-CB 4.44Å; L584-M589 HydrophobicContact CD2-CB 4.19Å; L584-M589 HydrophobicContact CD2-SD 4.48Å; L584-M589 PolarHBondContact O-N 3.28Å; L584-M589 VanDerWaalsContact O-O 3.07Å; I587-M589 HydrophobicContact CD1-CE 4.2Å; I587-M589 HydrophobicContact CD1-CG 4.22Å; I587-M589 HydrophobicContact CD1-SD 3.52Å; I587-M589 VanDerWaalsContact CD1-SD 3.52Å; I587-M589 HydrophobicContact CG1-CB 4.25Å; I587-M589 HydrophobicContact CG1-CG 3.97Å; I587-M589 HydrophobicContact CG1-SD 3.96Å
590R88Confident90Very high130 Ų13054 Ų5449%0.49128%0.275SS..  trans-130.3140.6179.7-62.9-174.9-178.6-164-1110.3I559 E592 N593I559-R590 WeakPolarHBondContact CD1-O 3.5Å; R590-E592 PolarHBondContact O-N 3.04Å; R590-N593 WeakPolarHBondContact O-CB 3.06Å; R590-N593 PolarHBondContact O-N 3.44Å
591E88.9Confident90.6Very high57 Ų5754 Ų5427%0.26628%0.275SS..G310 helixtrans-59.7-32.1179.9-58.4-167.6168.900113I559 Q563 T581 L584 N593 F594I559-E591 HydrophobicContact CG2-CB 4.44Å; Q563-E591 PolarHBondContact NE2-OE2 3.32Å; T581-E591 WeakPolarHBondContact CG2-OE1 3.05Å; L584-E591 HydrophobicContact CD1-CG 3.84Å; E591-N593 PolarHBondContact O-N 3.25Å; E591-N593 VanDerWaalsContact O-N 3.12Å; E591-F594 WeakPolarHBondContact O-CB 3.34Å; E591-F594 PolarHBondContact O-N 3.38Å; E591-F594 VanDerWaalsContact O-N 3.12Å
592E92.1Very high91.2Very high150 Ų15055.3 Ų55.370%0.70128%0.279SS*.G310 helixtrans-57.4-24.9176.4-61.7173.3-179.800113.1R590 F594 P596R590-E592 PolarHBondContact O-N 3.04Å; E592-F594 VanDerWaalsContact C-N 3.27Å; E592-F594 PolarHBondContact O-N 3.4Å; E592-P596 VanDerWaalsContact O-CD 3.28Å; E592-P596 WeakPolarHBondContact O-CD 3.37Å
593N92.5Very high91.8Very high45 Ų4554.2 Ų54.224%0.24128%0.282CS..G310 helixtrans-78.2-9-178.4-66.2-18.9000113.3E555 I559 R590 E591 L595 P596 D597E555-N593 PolarHBondContact OE1-ND2 3.25Å; I559-N593 HydrophobicContact CD1-CB 4.27Å; R590-N593 WeakPolarHBondContact O-CB 3.06Å; R590-N593 PolarHBondContact O-N 3.44Å; E591-N593 PolarHBondContact O-N 3.25Å; E591-N593 VanDerWaalsContact O-N 3.12Å; N593-L595 PolarHBondContact O-N 3.05Å; N593-P596 VanDerWaalsContact O-CD 3.29Å; N593-P596 WeakPolarHBondContact O-CD 3.32Å; N593-D597 WeakPolarHBondContact O-CB 3.3Å; N593-D597 PolarHBondContact O-N 3.14Å
594F95.4Very high92.3Very high40 Ų4054.6 Ų54.618%0.17528%0.284CS..Hα-helixtrans-56.2-51.8-173.9-174.8-111.6000114.1I484 L488 A556 I559 N560 E591 E592 I598I484-F594 HydrophobicContact CG2-CE2 4.29Å; I484-F594 HydrophobicContact CG2-CZ 3.7Å; L488-F594 HydrophobicContact CD1-CE2 4.15Å; A556-F594 HydrophobicContact CB-CD2 4.37Å; A556-F594 HydrophobicContact CB-CE2 4.39Å; I559-F594 HydrophobicContact CB-CD2 4.04Å; I559-F594 HydrophobicContact CD1-CB 4.13Å; I559-F594 HydrophobicContact CG2-CB 3.99Å; I559-F594 HydrophobicContact CG2-CD2 3.95Å; I559-F594 HydrophobicContact CG2-CG 4.21Å; N560-F594 HydrophobicContact CB-CE2 4.1Å; E591-F594 WeakPolarHBondContact O-CB 3.34Å; E591-F594 PolarHBondContact O-N 3.38Å; E591-F594 VanDerWaalsContact O-N 3.12Å; E592-F594 VanDerWaalsContact C-N 3.27Å; E592-F594 PolarHBondContact O-N 3.4Å; F594-I598 HydrophobicContact CD1-CD1 4.26Å; F594-I598 HydrophobicContact CE1-CD1 3.77Å; F594-I598 HydrophobicContact CE2-CD1 4.35Å; F594-I598 HydrophobicContact CZ-CD1 3.81Å; F594-I598 WeakPolarHBondContact O-CG1 3.24Å; F594-I598 PolarHBondContact O-N 3Å
595L96.3Very high92.7Very high103 Ų10356 Ų5654%0.53929%0.292SS..Hα-helixtrans-69.8-46176.8-72.9175.1000112.4N593 D597 I598 F599N593-L595 PolarHBondContact O-N 3.05Å; L595-D597 PolarHBondContact O-N 2.94Å; L595-I598 PolarHBondContact O-N 2.89Å; L595-F599 HydrophobicContact CB-CD2 4.41Å; L595-F599 HydrophobicContact CB-CE2 4.19Å; L595-F599 WeakPolarHBondContact O-CD2 3.37Å; L595-F599 PolarHBondContact O-N 2.72Å
596P96.4Very high93.2Very high61 Ų6155.4 Ų55.440%0.39629%0.292SS..Hα-helixtrans-50.2-39.3171.2-3134.9000114.3E592 N593 F599 S600E592-P596 VanDerWaalsContact O-CD 3.28Å; E592-P596 WeakPolarHBondContact O-CD 3.37Å; N593-P596 VanDerWaalsContact O-CD 3.29Å; N593-P596 WeakPolarHBondContact O-CD 3.32Å; P596-F599 PolarHBondContact O-N 3.1Å; P596-S600 VanDerWaalsContact O-CB 3.26Å; P596-S600 WeakPolarHBondContact O-CB 3.3Å; P596-S600 PolarHBondContact O-N 3.09Å; P596-S600 PolarHBondContact O-OG 2.94Å
597D96.1Very high93.9Very high4 Ų456.2 Ų56.22%0.02129%0.29CS..Hα-helixtrans-68.2-43.7179.6-68.3-17.3000111.8Y552 E555 A556 N593 L595 S600 L601Y552-D597 HydrophobicContact CD1-CB 4.24Å; Y552-D597 WeakPolarHBondContact CD1-OD1 3.34Å; E555-D597 VanDerWaalsContact CB-OD2 3.3Å; E555-D597 WeakPolarHBondContact CB-OD2 3.35Å; E555-D597 WeakPolarHBondContact CG-OD2 3.5Å; A556-D597 HydrophobicContact CB-CB 3.98Å; A556-D597 PolarHBondContact N-OD2 2.89Å; N593-D597 WeakPolarHBondContact O-CB 3.3Å; N593-D597 PolarHBondContact O-N 3.14Å; L595-D597 PolarHBondContact O-N 2.94Å; D597-S600 PolarHBondContact O-N 3.03Å; D597-L601 WeakPolarHBondContact O-CG 3.48Å; D597-L601 PolarHBondContact O-N 3.38Å
598I97.4Very high94.6Very high38 Ų3855.9 Ų55.920%0.19529%0.287CS..Hα-helixtrans-60.8-48.3175.2-67.8170.3000110.4L488 L491 F594 L595 S600 L601 I602L488-I598 HydrophobicContact CD2-CD1 4.16Å; L488-I598 HydrophobicContact CD2-CG1 3.7Å; L491-I598 HydrophobicContact CD2-CG2 4.11Å; F594-I598 HydrophobicContact CD1-CD1 4.26Å; F594-I598 HydrophobicContact CE1-CD1 3.77Å; F594-I598 HydrophobicContact CE2-CD1 4.35Å; F594-I598 HydrophobicContact CZ-CD1 3.81Å; F594-I598 WeakPolarHBondContact O-CG1 3.24Å; F594-I598 PolarHBondContact O-N 3Å; L595-I598 PolarHBondContact O-N 2.89Å; I598-S600 VanDerWaalsContact C-N 3.29Å; I598-S600 PolarHBondContact O-N 3.33Å; I598-L601 PolarHBondContact O-N 2.85Å; I598-I602 HydrophobicContact CG2-CD1 3.96Å; I598-I602 WeakPolarHBondContact O-CG1 3.43Å; I598-I602 PolarHBondContact O-N 3.16Å
599F97.4Very high95.2Very high138 Ų13857 Ų5761%0.60529%0.289SS*.Hα-helixtrans-64-36.1177.9-71.1-54000112.3L595 P596 I602 G603L595-F599 HydrophobicContact CB-CD2 4.41Å; L595-F599 HydrophobicContact CB-CE2 4.19Å; L595-F599 WeakPolarHBondContact O-CD2 3.37Å; L595-F599 PolarHBondContact O-N 2.72Å; P596-F599 PolarHBondContact O-N 3.1Å; F599-I602 PolarHBondContact O-N 2.84Å; F599-G603 PolarHBondContact O-N 2.9Å
600S96.7Very high95.5Very high37 Ų3761.6 Ų61.626%0.25931%0.313SS..Hα-helixtrans-64.7-42.9175.7-62.90000111.4Y552 P596 D597 I598 G603 M604Y552-S600 VanDerWaalsContact CE1-CB 3.49Å; Y552-S600 WeakPolarHBondContact CE1-OG 3.33Å; P596-S600 VanDerWaalsContact O-CB 3.26Å; P596-S600 WeakPolarHBondContact O-CB 3.3Å; P596-S600 PolarHBondContact O-N 3.09Å; P596-S600 PolarHBondContact O-OG 2.94Å; D597-S600 PolarHBondContact O-N 3.03Å; I598-S600 VanDerWaalsContact C-N 3.29Å; I598-S600 PolarHBondContact O-N 3.33Å; S600-G603 PolarHBondContact O-N 3.38Å; S600-M604 WeakPolarHBondContact O-CB 3.13Å; S600-M604 WeakPolarHBondContact O-CG 3.31Å; S600-M604 PolarHBondContact O-N 3.06Å
601L97.3Very high96Very high0 Ų058.4 Ų58.40%031%0.305CS..Hα-helixtrans-64.4-44.1175.1-72.4171.7000112.3L491 A495 I549 D597 I598 G603 M604 V605L491-L601 HydrophobicContact CD1-CB 4.48Å; L491-L601 HydrophobicContact CD2-CB 3.65Å; L491-L601 HydrophobicContact CD2-CD1 4.06Å; L491-L601 HydrophobicContact CG-CB 3.77Å; L491-L601 HydrophobicContact CG-CD1 4.28Å; A495-L601 HydrophobicContact CB-CD2 4.32Å; I549-L601 HydrophobicContact CG2-CD2 4Å; D597-L601 WeakPolarHBondContact O-CG 3.48Å; D597-L601 PolarHBondContact O-N 3.38Å; I598-L601 PolarHBondContact O-N 2.85Å; L601-G603 VanDerWaalsContact C-N 3.32Å; L601-G603 PolarHBondContact O-N 3.42Å; L601-M604 WeakPolarHBondContact O-CB 3.39Å; L601-M604 PolarHBondContact O-N 3.3Å; L601-V605 VanDerWaalsContact O-CG2 3.27Å; L601-V605 WeakPolarHBondContact O-CG2 3.2Å; L601-V605 PolarHBondContact O-N 3.16Å
602I97.8Very high96.3Very high69 Ų6955.7 Ų55.735%0.35429%0.292SS..Hα-helixtrans-60-45.4174.2-67.1168.6000110.4L491 I598 F599 M604 V605 I606L491-I602 HydrophobicContact CD1-CG1 3.8Å; L491-I602 HydrophobicContact CD2-CG1 4.01Å; I598-I602 HydrophobicContact CG2-CD1 3.96Å; I598-I602 WeakPolarHBondContact O-CG1 3.43Å; I598-I602 PolarHBondContact O-N 3.16Å; F599-I602 PolarHBondContact O-N 2.84Å; I602-M604 VanDerWaalsContact C-N 3.32Å; I602-M604 PolarHBondContact O-N 3.04Å; I602-V605 WeakPolarHBondContact O-CB 3.11Å; I602-V605 PolarHBondContact O-N 3.16Å; I602-I606 HydrophobicContact CG2-CD1 3.96Å; I602-I606 WeakPolarHBondContact O-CG1 3.34Å; I602-I606 PolarHBondContact O-N 2.93Å
603G97.4Very high96.5Very high35 Ų3551 Ų5136%0.36127%0.27SS..Hα-helixtrans-58.5-42.7175.900000112.3F599 S600 L601 I606 L607F599-G603 PolarHBondContact O-N 2.9Å; S600-G603 PolarHBondContact O-N 3.38Å; L601-G603 VanDerWaalsContact C-N 3.32Å; L601-G603 PolarHBondContact O-N 3.42Å; G603-I606 PolarHBondContact O-N 2.61Å; G603-L607 WeakPolarHBondContact O-CB 3.42Å; G603-L607 PolarHBondContact O-N 3.07Å
604M96.4Very high96.7Very high12 Ų1253.7 Ų53.76%0.05928%0.284CS..Hα-helixtrans-63.5-43.3175.2-77.9-176.3168.200112.8Y546 L547 I549 Y552 S600 L601 I602 I606 L607 F608Y546-M604 WeakPolarHBondContact O-CE 3.4Å; L547-M604 VanDerWaalsContact C-CE 3.43Å; L547-M604 WeakPolarHBondContact O-CE 3.01Å; I549-M604 HydrophobicContact CG1-SD 3.87Å; Y552-M604 HydrophobicContact CD2-CE 3.82Å; Y552-M604 HydrophobicContact CD2-SD 4.06Å; Y552-M604 HydrophobicContact CE2-CE 3.4Å; Y552-M604 VanDerWaalsContact CE2-CE 3.4Å; Y552-M604 HydrophobicContact CE2-SD 4.21Å; S600-M604 WeakPolarHBondContact O-CB 3.13Å; S600-M604 WeakPolarHBondContact O-CG 3.31Å; S600-M604 PolarHBondContact O-N 3.06Å; L601-M604 WeakPolarHBondContact O-CB 3.39Å; L601-M604 PolarHBondContact O-N 3.3Å; I602-M604 VanDerWaalsContact C-N 3.32Å; I602-M604 PolarHBondContact O-N 3.04Å; M604-I606 VanDerWaalsContact C-N 3.35Å; M604-I606 PolarHBondContact O-N 3.24Å; M604-L607 PolarHBondContact O-N 2.98Å; M604-F608 HydrophobicContact CB-CD2 4.23Å; M604-F608 HydrophobicContact CB-CE2 3.97Å; M604-F608 HydrophobicContact CG-CE2 4.21Å; M604-F608 HydrophobicContact CG-CZ 4.46Å; M604-F608 VanDerWaalsContact O-CB 3.31Å; M604-F608 WeakPolarHBondContact O-CB 3.26Å; M604-F608 VanDerWaalsContact O-CD2 3.27Å; M604-F608 WeakPolarHBondContact O-CD2 3Å; M604-F608 VanDerWaalsContact O-CG 3.29Å; M604-F608 WeakPolarHBondContact O-CG 3.48Å; M604-F608 PolarHBondContact O-N 3.33Å; M604-F608 HydrophobicContact SD-CE2 4.39Å
605V97.1Very high96.7Very high29 Ų2954.2 Ų54.218%0.17629%0.288CS..Hα-helixtrans-56.1-52.6175.5174.70000109.6L491 N494 A495 L601 I602 R609L491-V605 HydrophobicContact CD1-CG2 4.25Å; N494-V605 HydrophobicContact CB-CG2 4.17Å; A495-V605 HydrophobicContact CB-CG2 3.88Å; L601-V605 VanDerWaalsContact O-CG2 3.27Å; L601-V605 WeakPolarHBondContact O-CG2 3.2Å; L601-V605 PolarHBondContact O-N 3.16Å; I602-V605 WeakPolarHBondContact O-CB 3.11Å; I602-V605 PolarHBondContact O-N 3.16Å; V605-R609 WeakPolarHBondContact O-CB 3.39Å; V605-R609 WeakPolarHBondContact O-CG 3.29Å; V605-R609 PolarHBondContact O-N 3.19Å
606I96.9Very high96.6Very high100 Ų10049.3 Ų49.351%0.51326%0.262SS..Hα-helixtrans-63-49.1-178.5-64.2168.5000110.6I602 G603 M604 R609 L610I602-I606 HydrophobicContact CG2-CD1 3.96Å; I602-I606 WeakPolarHBondContact O-CG1 3.34Å; I602-I606 PolarHBondContact O-N 2.93Å; G603-I606 PolarHBondContact O-N 2.61Å; M604-I606 VanDerWaalsContact C-N 3.35Å; M604-I606 PolarHBondContact O-N 3.24Å; I606-R609 PolarHBondContact O-N 3.04Å; I606-L610 HydrophobicContact CG2-CD1 3.89Å; I606-L610 HydrophobicContact CG2-CG 4.42Å; I606-L610 VanDerWaalsContact O-CG 3.31Å; I606-L610 WeakPolarHBondContact O-CG 3.17Å; I606-L610 PolarHBondContact O-N 3.44Å
607L96.9Very high96.4Very high91 Ų9149.5 Ų49.548%0.47626%0.26SS..Hα-helixtrans-60.8-49.8-177.6179.664.5000111.8G603 M604 R609 L610 I611G603-L607 WeakPolarHBondContact O-CB 3.42Å; G603-L607 PolarHBondContact O-N 3.07Å; M604-L607 PolarHBondContact O-N 2.98Å; L607-R609 VanDerWaalsContact C-N 3.34Å; L607-R609 PolarHBondContact O-N 3.4Å; L607-L610 PolarHBondContact O-N 3.46Å; L607-I611 HydrophobicContact CD1-CD1 4Å; L607-I611 HydrophobicContact CD1-CG1 4.35Å; L607-I611 HydrophobicContact CG-CD1 3.84Å; L607-I611 VanDerWaalsContact O-CG1 3.3Å; L607-I611 WeakPolarHBondContact O-CG1 3.3Å; L607-I611 PolarHBondContact O-N 3.39Å
608F97.2Very high96.1Very high26 Ų2653.1 Ų53.111%0.11428%0.281CS..Hα-helixtrans-66.7-35.5-179.4-66-30.8000112.1L499 V502 I549 M604 I611 S612L499-F608 HydrophobicContact CB-CD2 4.15Å; L499-F608 HydrophobicContact CB-CE2 4.37Å; V502-F608 HydrophobicContact CG2-CB 3.93Å; V502-F608 HydrophobicContact CG2-CD1 4.49Å; V502-F608 WeakPolarHBondContact CG2-O 3.41Å; I549-F608 HydrophobicContact CD1-CE2 4.06Å; I549-F608 HydrophobicContact CG1-CE2 4.25Å; M604-F608 HydrophobicContact CB-CD2 4.23Å; M604-F608 HydrophobicContact CB-CE2 3.97Å; M604-F608 HydrophobicContact CG-CE2 4.21Å; M604-F608 HydrophobicContact CG-CZ 4.46Å; M604-F608 VanDerWaalsContact O-CB 3.31Å; M604-F608 WeakPolarHBondContact O-CB 3.26Å; M604-F608 VanDerWaalsContact O-CD2 3.27Å; M604-F608 WeakPolarHBondContact O-CD2 3Å; M604-F608 VanDerWaalsContact O-CG 3.29Å; M604-F608 WeakPolarHBondContact O-CG 3.48Å; M604-F608 PolarHBondContact O-N 3.33Å; M604-F608 HydrophobicContact SD-CE2 4.39Å; F608-I611 HydrophobicContact CD1-CD1 4.37Å; F608-I611 PolarHBondContact O-N 3.18Å; F608-S612 VanDerWaalsContact O-CB 3.25Å; F608-S612 WeakPolarHBondContact O-CB 3.34Å; F608-S612 PolarHBondContact O-N 3.16Å
609R95.7Very high95.7Very high31 Ų3153.8 Ų53.812%0.11728%0.281CS..Hα-helixtrans-64.2-42.3172.2-70.3-61.8-174.4155.16.7112.4Y447 T451 S498 Y501 V605 I606 L607 S612 F613Y447-R609 WeakPolarHBondContact OH-CD 3.43Å; Y447-R609 PolarHBondContact OH-O 2.92Å; T451-R609 PolarHBondContact OG1-NH1 2.86Å; T451-R609 VanDerWaalsContact OG1-NH1 3.12Å; S498-R609 WeakPolarHBondContact OG-CG 3.45Å; S498-R609 PolarHBondContact OG-NE 3.27Å; Y501-R609 VanDerWaalsContact CD2-CZ 3.5Å; Y501-R609 VanDerWaalsContact CZ-NH1 3.34Å; V605-R609 WeakPolarHBondContact O-CB 3.39Å; V605-R609 WeakPolarHBondContact O-CG 3.29Å; V605-R609 PolarHBondContact O-N 3.19Å; I606-R609 PolarHBondContact O-N 3.04Å; L607-R609 VanDerWaalsContact C-N 3.34Å; L607-R609 PolarHBondContact O-N 3.4Å; R609-S612 PolarHBondContact O-N 3.16Å; R609-F613 WeakPolarHBondContact O-CB 3.45Å; R609-F613 PolarHBondContact O-N 3.48Å
610L96.7Very high95Very high98 Ų9847.7 Ų47.751%0.51326%0.255SS..Hα-helixtrans-63.6-45.7175.4-72172.6000111.7I606 L607 S612 F613 L614I606-L610 HydrophobicContact CG2-CD1 3.89Å; I606-L610 HydrophobicContact CG2-CG 4.42Å; I606-L610 VanDerWaalsContact O-CG 3.31Å; I606-L610 WeakPolarHBondContact O-CG 3.17Å; I606-L610 PolarHBondContact O-N 3.44Å; L607-L610 PolarHBondContact O-N 3.46Å; L610-S612 PolarHBondContact O-N 2.67Å; L610-F613 PolarHBondContact O-N 2.99Å; L610-L614 VanDerWaalsContact O-CG 3.32Å; L610-L614 WeakPolarHBondContact O-CG 3.43Å; L610-L614 PolarHBondContact O-N 3.27Å
611I97.1Very high94.3Very high62 Ų6253.4 Ų53.432%0.31827%0.273SS..Hα-helixtrans-59.8-47.6176.5-69.9169000110.4V502 L607 F608 F613 L614 L615V502-I611 HydrophobicContact CG1-CG2 4.1Å; V502-I611 HydrophobicContact CG2-CB 4.21Å; V502-I611 HydrophobicContact CG2-CG2 4.02Å; L607-I611 HydrophobicContact CD1-CD1 4Å; L607-I611 HydrophobicContact CD1-CG1 4.35Å; L607-I611 HydrophobicContact CG-CD1 3.84Å; L607-I611 VanDerWaalsContact O-CG1 3.3Å; L607-I611 WeakPolarHBondContact O-CG1 3.3Å; L607-I611 PolarHBondContact O-N 3.39Å; F608-I611 HydrophobicContact CD1-CD1 4.37Å; F608-I611 PolarHBondContact O-N 3.18Å; I611-F613 VanDerWaalsContact C-N 3.33Å; I611-F613 PolarHBondContact O-N 3.38Å; I611-L614 PolarHBondContact O-N 3.39Å; I611-L615 HydrophobicContact CG2-CD1 3.79Å; I611-L615 HydrophobicContact CG2-CG 4.27Å; I611-L615 WeakPolarHBondContact O-CB 3.5Å; I611-L615 VanDerWaalsContact O-CG 3.27Å; I611-L615 WeakPolarHBondContact O-CG 3.36Å; I611-L615 PolarHBondContact O-N 3.15Å
612S96.1Very high93.2Very high0 Ų058.8 Ų58.80%030%0.301CS..Hα-helixtrans-59.9-42.8177.7173.60000112Y447 Y501 T505 F608 R609 L610 L615 L616Y447-S612 WeakPolarHBondContact CE2-OG 3.33Å; Y447-S612 VanDerWaalsContact OH-CB 3.25Å; Y447-S612 WeakPolarHBondContact OH-CB 3.44Å; Y447-S612 PolarHBondContact OH-OG 3.41Å; Y447-S612 VanDerWaalsContact OH-OG 3.04Å; Y501-S612 VanDerWaalsContact C-OG 3.31Å; Y501-S612 WeakPolarHBondContact CB-OG 3.42Å; Y501-S612 PolarHBondContact O-OG 2.9Å; Y501-S612 VanDerWaalsContact O-OG 3.08Å; T505-S612 WeakPolarHBondContact CG2-OG 3.3Å; T505-S612 PolarHBondContact OG1-OG 2.84Å; F608-S612 VanDerWaalsContact O-CB 3.25Å; F608-S612 WeakPolarHBondContact O-CB 3.34Å; F608-S612 PolarHBondContact O-N 3.16Å; R609-S612 PolarHBondContact O-N 3.16Å; L610-S612 PolarHBondContact O-N 2.67Å; S612-L615 PolarHBondContact O-N 3.44Å; S612-L616 WeakPolarHBondContact O-CB 3.37Å; S612-L616 PolarHBondContact O-N 2.78Å
613F96.3Very high91.7Very high52 Ų5262 Ų6223%0.22831%0.309CS..Hα-helixtrans-63.3-43.9175.7178.9-110.3000112.3V443 D444 Y447 R609 L610 I611 L616 L617V443-F613 HydrophobicContact CG1-CE2 4.15Å; D444-F613 HydrophobicContact CB-CE2 4.17Å; D444-F613 HydrophobicContact CB-CZ 4.13Å; Y447-F613 HydrophobicContact CD1-CB 4.39Å; Y447-F613 HydrophobicContact CD1-CD2 4.06Å; Y447-F613 HydrophobicContact CE1-CB 4.22Å; Y447-F613 AromaticContact CG-CD2 3.97Å; Y447-F613 HydrophobicContact CG-CD2 3.97Å; R609-F613 WeakPolarHBondContact O-CB 3.45Å; R609-F613 PolarHBondContact O-N 3.48Å; L610-F613 PolarHBondContact O-N 2.99Å; I611-F613 VanDerWaalsContact C-N 3.33Å; I611-F613 PolarHBondContact O-N 3.38Å; F613-L616 WeakPolarHBondContact O-CB 3.35Å; F613-L616 PolarHBondContact O-N 3.03Å; F613-L617 HydrophobicContact CD1-CD1 3.95Å; F613-L617 HydrophobicContact CE1-CD1 3.42Å; F613-L617 VanDerWaalsContact CE1-CD1 3.42Å; F613-L617 HydrophobicContact CE1-CG 4.14Å; F613-L617 HydrophobicContact CE2-CD1 4.49Å; F613-L617 HydrophobicContact CE2-CG 4.35Å; F613-L617 HydrophobicContact CZ-CD1 3.73Å; F613-L617 HydrophobicContact CZ-CD2 4.25Å; F613-L617 HydrophobicContact CZ-CG 4.03Å; F613-L617 WeakPolarHBondContact O-CG 3.22Å; F613-L617 PolarHBondContact O-N 3.37Å
614L96.2Very high89.7Confident102 Ų10263.9 Ų63.953%0.53431%0.306SS..Hα-helixtrans-63.2-43.4176.1-71.6171.4000111.9L610 I611 L616 L617 V618L610-L614 VanDerWaalsContact O-CG 3.32Å; L610-L614 WeakPolarHBondContact O-CG 3.43Å; L610-L614 PolarHBondContact O-N 3.27Å; I611-L614 PolarHBondContact O-N 3.39Å; L614-L616 VanDerWaalsContact C-N 3.3Å; L614-L616 PolarHBondContact O-N 2.98Å; L614-L617 WeakPolarHBondContact O-CB 3.46Å; L614-L617 PolarHBondContact O-N 2.96Å; L614-V618 WeakPolarHBondContact O-CG2 3.32Å; L614-V618 PolarHBondContact O-N 3.46Å
615L95.1Very high87.2Confident50 Ų5066.1 Ų66.126%0.26232%0.323SS..Hα-helixtrans-61.4-40.5175.4-73.7169.3000111.7V502 M506 I611 S612 V618 R619V502-L615 HydrophobicContact CG1-CD1 3.96Å; M506-L615 HydrophobicContact CG-CD1 3.44Å; M506-L615 VanDerWaalsContact CG-CD1 3.44Å; M506-L615 HydrophobicContact CG-CD2 4.31Å; M506-L615 HydrophobicContact CG-CG 4.46Å; M506-L615 HydrophobicContact SD-CD1 4.25Å; I611-L615 HydrophobicContact CG2-CD1 3.79Å; I611-L615 HydrophobicContact CG2-CG 4.27Å; I611-L615 WeakPolarHBondContact O-CB 3.5Å; I611-L615 VanDerWaalsContact O-CG 3.27Å; I611-L615 WeakPolarHBondContact O-CG 3.36Å; I611-L615 PolarHBondContact O-N 3.15Å; S612-L615 PolarHBondContact O-N 3.44Å; L615-V618 PolarHBondContact O-N 2.99Å; L615-R619 VanDerWaalsContact O-CB 3.32Å; L615-R619 WeakPolarHBondContact O-CB 3.46Å; L615-R619 PolarHBondContact O-N 3.06Å
616L93.8Very high86.7Confident0 Ų068 Ų680%033%0.33CS..Hα-helixtrans-63.3-43174.6-176.459.7000111.7L429 F432 V443 Y446 Y447 T505 S612 F613 L614 R619 V620L429-L616 HydrophobicContact CD1-CD1 3.57Å; F432-L616 HydrophobicContact CD1-CD1 4.33Å; F432-L616 HydrophobicContact CE1-CD1 3.96Å; F432-L616 HydrophobicContact CE1-CD2 4.22Å; F432-L616 HydrophobicContact CE1-CG 4.28Å; V443-L616 HydrophobicContact CG1-CB 4.46Å; V443-L616 HydrophobicContact CG1-CD2 3.63Å; V443-L616 HydrophobicContact CG1-CG 3.68Å; Y446-L616 HydrophobicContact CD1-CD2 4.33Å; Y447-L616 HydrophobicContact CD2-CD2 3.77Å; Y447-L616 HydrophobicContact CG-CD2 4.49Å; T505-L616 HydrophobicContact CG2-CB 4.07Å; S612-L616 WeakPolarHBondContact O-CB 3.37Å; S612-L616 PolarHBondContact O-N 2.78Å; F613-L616 WeakPolarHBondContact O-CB 3.35Å; F613-L616 PolarHBondContact O-N 3.03Å; L614-L616 VanDerWaalsContact C-N 3.3Å; L614-L616 PolarHBondContact O-N 2.98Å; L616-R619 PolarHBondContact O-N 3.13Å; L616-V620 HydrophobicContact CD1-CG2 4.46Å; L616-V620 WeakPolarHBondContact O-CG2 3.24Å; L616-V620 PolarHBondContact O-N 2.78Å
617L92.3Very high86.1Confident66 Ų6666.3 Ų66.335%0.34632%0.321SS..Hα-helixtrans-60.8-47.4174.9-76.4174.5000111.9V443 F613 L614 R619 V620 Y621V443-L617 HydrophobicContact CB-CD2 3.88Å; V443-L617 HydrophobicContact CG1-CD2 3.92Å; V443-L617 HydrophobicContact CG1-CG 4.39Å; V443-L617 HydrophobicContact CG2-CD2 4.03Å; F613-L617 HydrophobicContact CD1-CD1 3.95Å; F613-L617 HydrophobicContact CE1-CD1 3.42Å; F613-L617 VanDerWaalsContact CE1-CD1 3.42Å; F613-L617 HydrophobicContact CE1-CG 4.14Å; F613-L617 HydrophobicContact CE2-CD1 4.49Å; F613-L617 HydrophobicContact CE2-CG 4.35Å; F613-L617 HydrophobicContact CZ-CD1 3.73Å; F613-L617 HydrophobicContact CZ-CD2 4.25Å; F613-L617 HydrophobicContact CZ-CG 4.03Å; F613-L617 WeakPolarHBondContact O-CG 3.22Å; F613-L617 PolarHBondContact O-N 3.37Å; L614-L617 WeakPolarHBondContact O-CB 3.46Å; L614-L617 PolarHBondContact O-N 2.96Å; L617-R619 VanDerWaalsContact C-N 3.33Å; L617-R619 PolarHBondContact O-N 3.1Å; L617-V620 PolarHBondContact O-N 3.41Å; L617-Y621 WeakPolarHBondContact O-CB 3.42Å; L617-Y621 PolarHBondContact O-N 3.39Å
618V90.7Very high85.5Confident79 Ų7964.9 Ų64.948%0.47931%0.312SS..Hα-helixtrans-60.6-44.4177.4170.50000110.4L614 L615 V620 Y621 L622L614-V618 WeakPolarHBondContact O-CG2 3.32Å; L614-V618 PolarHBondContact O-N 3.46Å; L615-V618 PolarHBondContact O-N 2.99Å; V618-V620 PolarHBondContact O-N 2.9Å; V618-Y621 WeakPolarHBondContact O-CB 3.14Å; V618-Y621 PolarHBondContact O-N 3.05Å; V618-L622 HydrophobicContact CG1-CD1 3.75Å; V618-L622 HydrophobicContact CG1-CG 4.15Å; V618-L622 WeakPolarHBondContact O-CB 3.45Å; V618-L622 VanDerWaalsContact O-CG 3.3Å; V618-L622 WeakPolarHBondContact O-CG 3.36Å; V618-L622 PolarHBondContact O-N 2.81Å
619R87.9Confident84.8Confident52 Ų5267.2 Ų67.220%0.19632%0.324CS..Hα-helixtrans-62.5-44.7178173.6161.8-84172.7-14.7112.4I433 T505 M506 A508 L615 L616 L617 Y621 L622 Y623I433-R619 HydrophobicContact CD1-CG 4.38Å; T505-R619 PolarHBondContact O-NH1 2.98Å; M506-R619 PolarHBondContact O-NH1 3.1Å; M506-R619 PolarHBondContact O-NH2 2.99Å; A508-R619 VanDerWaalsContact CB-CZ 3.4Å; L615-R619 VanDerWaalsContact O-CB 3.32Å; L615-R619 WeakPolarHBondContact O-CB 3.46Å; L615-R619 PolarHBondContact O-N 3.06Å; L616-R619 PolarHBondContact O-N 3.13Å; L617-R619 VanDerWaalsContact C-N 3.33Å; L617-R619 PolarHBondContact O-N 3.1Å; R619-Y621 VanDerWaalsContact C-N 3.29Å; R619-Y621 PolarHBondContact O-N 3.03Å; R619-L622 PolarHBondContact O-N 3.3Å; R619-Y623 HydrophobicContact CG-CD2 4.45Å; R619-Y623 PolarHBondContact O-N 3.09Å
620V84Confident84.2Confident10 Ų1069.5 Ų69.56%0.06134%0.337CS..Hα-helixtrans-62.5-40.4175.1168.10000110.7F432 R436 V443 L616 L617 V618 Y623 Y624F432-V620 HydrophobicContact CE1-CG2 3.87Å; F432-V620 HydrophobicContact CZ-CG2 4.46Å; R436-V620 HydrophobicContact CG-CG1 3.51Å; R436-V620 HydrophobicContact CG-CG2 4.29Å; V443-V620 HydrophobicContact CG2-CB 4.45Å; V443-V620 HydrophobicContact CG2-CG1 4.19Å; V443-V620 HydrophobicContact CG2-CG2 4.2Å; L616-V620 HydrophobicContact CD1-CG2 4.46Å; L616-V620 WeakPolarHBondContact O-CG2 3.24Å; L616-V620 PolarHBondContact O-N 2.78Å; L617-V620 PolarHBondContact O-N 3.41Å; V618-V620 PolarHBondContact O-N 2.9Å; V620-Y623 PolarHBondContact O-N 3.3Å; V620-Y624 HydrophobicContact CG1-CD2 4.42Å; V620-Y624 PolarHBondContact O-N 3.14Å
621Y81.3Confident83.3Confident158 Ų15867.6 Ų67.662%0.6233%0.325SS*.Hα-helixtrans-65.2-46.3178-178.4-96.2000112.2L617 V618 R619 Y623 Y624 S625L617-Y621 WeakPolarHBondContact O-CB 3.42Å; L617-Y621 PolarHBondContact O-N 3.39Å; V618-Y621 WeakPolarHBondContact O-CB 3.14Å; V618-Y621 PolarHBondContact O-N 3.05Å; R619-Y621 VanDerWaalsContact C-N 3.29Å; R619-Y621 PolarHBondContact O-N 3.03Å; Y621-Y623 PolarHBondContact O-N 3.04Å; Y621-Y624 WeakPolarHBondContact O-CB 3.43Å; Y621-Y624 PolarHBondContact O-N 2.85Å; Y621-S625 WeakPolarHBondContact CD1-OG 3.36Å; Y621-S625 VanDerWaalsContact CE1-OG 3.24Å; Y621-S625 WeakPolarHBondContact CE1-OG 3.28Å; Y621-S625 WeakPolarHBondContact CE2-OG 3.17Å; Y621-S625 VanDerWaalsContact O-CB 3.32Å; Y621-S625 WeakPolarHBondContact O-CB 3.41Å; Y621-S625 PolarHBondContact O-N 3.45Å; Y621-S625 PolarHBondContact O-OG 3.34Å
622L74.1Confident82.3Confident113 Ų11368 Ų6859%0.59233%0.325SS*.Hα-helixtrans-66.8-21.8176.9-71.2174.3000113.6V618 R619V618-L622 HydrophobicContact CG1-CD1 3.75Å; V618-L622 HydrophobicContact CG1-CG 4.15Å; V618-L622 WeakPolarHBondContact O-CB 3.45Å; V618-L622 VanDerWaalsContact O-CG 3.3Å; V618-L622 WeakPolarHBondContact O-CG 3.36Å; V618-L622 PolarHBondContact O-N 2.81Å; R619-L622 PolarHBondContact O-N 3.3Å
623Y66.9Low81.3Confident136 Ų13673.2 Ų73.253%0.53335%0.35SS..Hα-helixtrans-80.1-21.9171.4-109.6-81.8000112.7I433 R619 V620 Y621I433-Y623 HydrophobicContact CD1-CE2 4.44Å; I433-Y623 HydrophobicContact CG2-CD1 4.19Å; I433-Y623 HydrophobicContact CG2-CD2 4.3Å; I433-Y623 HydrophobicContact CG2-CE1 4.46Å; I433-Y623 HydrophobicContact CG2-CG 4.08Å; R619-Y623 HydrophobicContact CG-CD2 4.45Å; R619-Y623 PolarHBondContact O-N 3.09Å; V620-Y623 PolarHBondContact O-N 3.3Å; Y621-Y623 PolarHBondContact O-N 3.04Å
624Y55.5Low80Confident75 Ų7575 Ų7529%0.29436%0.361SS..Hα-helixtrans-94.2-34.2179.8-104.8-94.2000113.3R436 Q437 N439 V620 Y621R436-Y624 HydrophobicContact CG-CE2 4.31Å; R436-Y624 PolarHBondContact O-OH 3.08Å; Q437-Y624 VanDerWaalsContact C-OH 3.31Å; Q437-Y624 VanDerWaalsContact CA-OH 3.25Å; Q437-Y624 WeakPolarHBondContact CA-OH 3.44Å; Q437-Y624 HydrophobicContact CB-CE2 4.5Å; Q437-Y624 HydrophobicContact CG-CE2 4.19Å; Q437-Y624 PolarHBondContact O-OH 2.63Å; N439-Y624 PolarHBondContact OD1-OH 3.41Å; V620-Y624 HydrophobicContact CG1-CD2 4.42Å; V620-Y624 PolarHBondContact O-N 3.14Å; Y621-Y624 WeakPolarHBondContact O-CB 3.43Å; Y621-Y624 PolarHBondContact O-N 2.85Å
625S42.8Very low78.6Confident59 Ų5972.5 Ų72.541%0.41335%0.345SS..  trans-104.20-175.5-38.70000110.3A91 Y621A91-S625 CarbonylContact C-O 3.59Å; A91-S625 VanDerWaalsContact CA-C 3.46Å; A91-S625 WeakPolarHBondContact CA-O 3.48Å; A91-S625 WeakPolarHBondContact CB-O 3.4Å; A91-S625 WeakPolarHBondContact CB-OXT 3.28Å; Y621-S625 WeakPolarHBondContact CD1-OG 3.36Å; Y621-S625 VanDerWaalsContact CE1-OG 3.24Å; Y621-S625 WeakPolarHBondContact CE1-OG 3.28Å; Y621-S625 WeakPolarHBondContact CE2-OG 3.17Å; Y621-S625 VanDerWaalsContact O-CB 3.32Å; Y621-S625 WeakPolarHBondContact O-CB 3.41Å; Y621-S625 PolarHBondContact O-N 3.45Å; Y621-S625 PolarHBondContact O-OG 3.34Å

Retrieved 625 of 625 residues in 395.6 ms (Link to these results)

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