A0A3Q0KNH7_SCHMA Loading...

Putative hect E3 ubiquitin ligase AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KNH7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,175 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
1M28.7Very low63.8Low241 Ų24176.8 Ų76.8100%1.18745%0.446SS*.  096.40-72.6-180171.200106.8S3M1-S3 PolarHBondContact O-N 3.3Å; M1-S3 VanDerWaalsContact O-N 3.09Å
2V30.3Very low66.4Low144 Ų14470.4 Ų70.487%0.87341%0.408SS*.  trans-60.6112.3156.7177.80000102.8S4V2-S4 PolarHBondContact O-N 3.45Å
3S36.1Very low68.6Low95 Ų9565 Ų6566%0.66438%0.377SS*.  trans-62.896.4176.661.40000105.6M1 A5M1-S3 PolarHBondContact O-N 3.3Å; M1-S3 VanDerWaalsContact O-N 3.09Å; S3-A5 PolarHBondContact O-N 3.33Å
4S44Very low70.4Confident95 Ų9560.7 Ų60.766%0.66435%0.353SS*.  trans-44.9118.2166.750.70000106V2 T6V2-S4 PolarHBondContact O-N 3.45Å; S4-T6 PolarHBondContact O-N 3.46Å
5A51.4Low71.6Confident28 Ų2857.8 Ų57.823%0.23134%0.337CS..  trans-44.7111.1-178.500000108.4S3 E7 Q432S3-A5 PolarHBondContact O-N 3.33Å; A5-E7 PolarHBondContact O-N 2.94Å; A5-E7 VanDerWaalsContact O-N 3.15Å; A5-Q432 HydrophobicContact CB-CG 3.89Å
6T67.9Low72.6Confident103 Ų10361.9 Ų61.963%0.63235%0.352SS*.  trans-72.2114-172.548.90000107.1S4 E8S4-T6 PolarHBondContact O-N 3.46Å; T6-E8 PolarHBondContact O-N 3.22Å
7E80Confident73.5Confident70 Ų7063.5 Ų63.533%0.32736%0.355SS..EExtended strand (participates in β ladder)trans-57.6131.6168.7-66.5-178.2147.600108.7A5 R418A5-E7 PolarHBondContact O-N 2.94Å; A5-E7 VanDerWaalsContact O-N 3.15Å; E7-R418 WeakPolarHBondContact OE1-CD 3.32Å; E7-R418 IonicContact OE1-CZ 2.6Å; E7-R418 IonicContact OE1-NE 3.99Å; E7-R418 PolarHBondContact OE1-NE 2.81Å
8E87.2Confident74.2Confident44 Ų4460.6 Ų60.621%0.20634%0.343CS..EExtended strand (participates in β ladder)trans-100135.8174-71.7-171-164.300109.5T6 F10 Y415 A431T6-E8 PolarHBondContact O-N 3.22Å; E8-F10 HydrophobicContact CB-CD2 4.4Å; E8-F10 HydrophobicContact CB-CE2 3.78Å; E8-Y415 HydrophobicContact CB-CE1 4.2Å; E8-Y415 VanDerWaalsContact CD-CE1 3.41Å; E8-Y415 HydrophobicContact CG-CE1 4.11Å; E8-Y415 PolarHBondContact OE1-OH 2.53Å; E8-Y415 VanDerWaalsContact OE1-OH 3.1Å; E8-Y415 WeakPolarHBondContact OE2-CE1 3.02Å; E8-Y415 PolarHBondContact OE2-OH 2.85Å; E8-A431 PolarHBondContact N-O 2.94Å; E8-A431 PolarHBondContact O-N 3.02Å
9L90.2Very high75Confident9 Ų957.5 Ų57.55%0.04733%0.325CS..EExtended strand (participates in β ladder)trans-92.7125.7175.8-176.666.3000109.4L36 V38 L44 I47 F56 Y428 L430L9-L36 HydrophobicContact CD2-CD1 3.9Å; L9-L36 HydrophobicContact CG-CD1 4.14Å; L9-L36 PolarHBondContact O-N 3.36Å; L9-V38 HydrophobicContact CB-CG2 4.23Å; L9-V38 HydrophobicContact CD2-CG2 3.98Å; L9-L44 HydrophobicContact CD2-CD1 4Å; L9-I47 HydrophobicContact CD1-CD1 3.34Å; L9-I47 HydrophobicContact CD2-CD1 4.4Å; L9-F56 HydrophobicContact CD2-CE1 4.28Å; L9-Y428 HydrophobicContact CD1-CD1 3.78Å; L9-Y428 HydrophobicContact CD2-CD1 4.04Å; L9-Y428 HydrophobicContact CD2-CE1 3.94Å; L9-Y428 HydrophobicContact CG-CD1 3.99Å; L9-Y428 HydrophobicContact CG-CE1 4.33Å; L9-L430 HydrophobicContact CB-CD2 4.34Å; L9-L430 HydrophobicContact CD1-CD2 3.65Å; L9-L430 HydrophobicContact CD1-CG 4.26Å
10F92.6Very high75.7Confident16 Ų1654.6 Ų54.67%0.0731%0.309CS..EExtended strand (participates in β ladder)trans-113.2144.7172.2-68-106.4000109.9E8 P33 K34 A35 W392 Y415 Y428 L429 A431E8-F10 HydrophobicContact CB-CD2 4.4Å; E8-F10 HydrophobicContact CB-CE2 3.78Å; F10-P33 HydrophobicContact CB-CB 4.39Å; F10-P33 HydrophobicContact CD1-CB 4.3Å; F10-K34 VanDerWaalsContact CA-O 3.29Å; F10-K34 WeakPolarHBondContact CA-O 3.44Å; F10-A35 HydrophobicContact CD1-CB 4.05Å; F10-A35 HydrophobicContact CE1-CB 3.71Å; F10-A35 HydrophobicContact CZ-CB 3.99Å; F10-W392 AromaticContact CD1-CH2 3.93Å; F10-W392 HydrophobicContact CD1-CH2 3.93Å; F10-W392 HydrophobicContact CD2-CH2 4.29Å; F10-W392 HydrophobicContact CD2-CZ3 4.47Å; F10-W392 HydrophobicContact CE1-CH2 4.14Å; F10-W392 HydrophobicContact CE2-CH2 4.49Å; F10-W392 HydrophobicContact CE2-CZ3 4.36Å; F10-W392 HydrophobicContact CG-CH2 4.03Å; F10-W392 HydrophobicContact CZ-CH2 4.42Å; F10-W392 HydrophobicContact CZ-CZ3 4.41Å; F10-Y415 HydrophobicContact CE2-CD1 4.13Å; F10-Y415 HydrophobicContact CE2-CE1 4.17Å; F10-Y415 HydrophobicContact CE2-CG 4.36Å; F10-Y415 HydrophobicContact CZ-CD1 4.25Å; F10-Y415 HydrophobicContact CZ-CD2 4.02Å; F10-Y415 HydrophobicContact CZ-CE1 4.08Å; F10-Y415 AromaticContact CZ-CE2 3.84Å; F10-Y415 HydrophobicContact CZ-CE2 3.84Å; F10-Y415 HydrophobicContact CZ-CG 4.23Å; F10-Y415 AromaticContact CZ-CZ 3.88Å; F10-Y428 CarbonylContact O-C 3.57Å; F10-Y428 WeakPolarHBondContact O-CA 3.29Å; F10-L429 HydrophobicContact CB-CD1 3.68Å; F10-L429 HydrophobicContact CB-CD2 4.43Å; F10-L429 HydrophobicContact CB-CG 3.77Å; F10-L429 HydrophobicContact CD2-CD1 3.68Å; F10-L429 HydrophobicContact CG-CD1 3.93Å; F10-L429 PolarHBondContact N-O 3.01Å; F10-L429 PolarHBondContact O-N 3.4Å; F10-A431 HydrophobicContact CD2-CB 4.22Å; F10-A431 HydrophobicContact CE2-CB 4.1Å
11A93.6Very high75.7Confident0 Ų053.4 Ų53.40%030%0.302CS..EExtended strand (participates in β ladder)trans-144154.8175.400000112.9L20 K34 L36 T427 Y428A11-L20 HydrophobicContact CB-CD2 3.8Å; A11-K34 PolarHBondContact N-O 3.47Å; A11-K34 PolarHBondContact O-N 3.07Å; A11-L36 HydrophobicContact CB-CD1 3.52Å; A11-L36 HydrophobicContact CB-CG 4.12Å; A11-T427 VanDerWaalsContact CA-O 3.27Å; A11-T427 WeakPolarHBondContact CA-O 3.22Å; A11-Y428 HydrophobicContact CB-CD1 3.47Å; A11-Y428 VanDerWaalsContact CB-CD1 3.47Å; A11-Y428 HydrophobicContact CB-CE1 3.45Å; A11-Y428 VanDerWaalsContact CB-CE1 3.45Å; A11-Y428 HydrophobicContact CB-CG 4.15Å
12W95.1Very high77.5Confident0 Ų043.6 Ų43.60%026%0.255CS..EExtended strand (participates in β ladder)trans-159172.4174.467.492.9000112.2I30 P33 L363 Q373 G375 V388 H426 T427 L429W12-I30 HydrophobicContact CB-CB 4.3Å; W12-I30 HydrophobicContact CB-CG2 4.28Å; W12-P33 HydrophobicContact CD2-CB 4.28Å; W12-P33 HydrophobicContact CD2-CG 3.81Å; W12-P33 HydrophobicContact CE3-CB 3.68Å; W12-P33 HydrophobicContact CE3-CG 3.62Å; W12-P33 HydrophobicContact CG-CG 4.4Å; W12-P33 HydrophobicContact CH2-CG 4.35Å; W12-P33 HydrophobicContact CZ2-CG 4.49Å; W12-P33 HydrophobicContact CZ3-CB 4.06Å; W12-P33 HydrophobicContact CZ3-CG 3.94Å; W12-L363 HydrophobicContact CH2-CD2 3.91Å; W12-L363 HydrophobicContact CZ2-CD2 4.36Å; W12-Q373 PolarHBondContact NE1-O 3.41Å; W12-G375 VanDerWaalsContact NE1-N 3.15Å; W12-V388 HydrophobicContact CH2-CG1 4.49Å; W12-V388 HydrophobicContact CZ2-CG1 4.05Å; W12-H426 WeakPolarHBondContact O-CA 3.45Å; W12-T427 HydrophobicContact CD2-CG2 4.36Å; W12-T427 VanDerWaalsContact CE2-CB 3.48Å; W12-T427 HydrophobicContact CE3-CG2 4.42Å; W12-T427 HydrophobicContact CH2-CG2 3.22Å; W12-T427 HydrophobicContact CZ2-CG2 3.15Å; W12-T427 HydrophobicContact CZ3-CG2 3.89Å; W12-T427 PolarHBondContact N-O 3.24Å; W12-T427 PolarHBondContact O-N 3.09Å; W12-L429 HydrophobicContact CH2-CD2 3.64Å; W12-L429 HydrophobicContact CH2-CG 4.3Å; W12-L429 HydrophobicContact CZ3-CB 4.32Å; W12-L429 HydrophobicContact CZ3-CD2 3.47Å; W12-L429 VanDerWaalsContact CZ3-CD2 3.47Å; W12-L429 HydrophobicContact CZ3-CG 3.82Å
13G95Very high78.8Confident0 Ų043.6 Ų43.60%025%0.25CC..EExtended strand (participates in β ladder)trans101.5-155.1-175.100000113.1Q29 I30 N371G13-Q29 CarbonylContact O-C 3.58Å; G13-Q29 WeakPolarHBondContact O-CA 3.37Å; G13-I30 PolarHBondContact N-O 2.68Å; G13-I30 PolarHBondContact O-N 3.01Å; G13-N371 CarbonylContact C-O 3.23Å; G13-N371 WeakPolarHBondContact CA-O 3.36Å
14S93Very high79.7Confident5 Ų549.2 Ų49.24%0.03526%0.262CS..EExtended strand (participates in β ladder)trans-63136.4179.8177.30000111.8Q19 L20 N371 D425S14-Q19 VanDerWaalsContact O-CD 3.26Å; S14-Q19 WeakPolarHBondContact O-CG 3.23Å; S14-Q19 PolarHBondContact O-NE2 3.31Å; S14-Q19 VanDerWaalsContact O-NE2 3.16Å; S14-Q19 PolarHBondContact OG-NE2 2.93Å; S14-Q19 VanDerWaalsContact OG-NE2 3.08Å; S14-L20 WeakPolarHBondContact O-CG 3.45Å; S14-N371 PolarHBondContact N-O 3.42Å; S14-D425 PolarHBondContact N-O 2.59Å
15C88.7Confident80.2Confident17 Ų1749.1 Ų49.112%0.11525%0.254CS..  trans-132.220.4171.752.70000113.7E17 G18 Q19 L20 A27 Y28 Q29C15-E17 VanDerWaalsContact C-N 3.26Å; C15-E17 PolarHBondContact O-N 2.93Å; C15-G18 PolarHBondContact O-N 3Å; C15-Q19 VanDerWaalsContact C-OE1 3.25Å; C15-L20 HydrophobicContact CB-CB 3.89Å; C15-L20 HydrophobicContact CB-CD1 3.89Å; C15-L20 HydrophobicContact CB-CG 3.9Å; C15-A27 PolarHBondContact SG-O 3.02Å; C15-Y28 PolarHBondContact N-O 3.32Å; C15-Y28 PolarHBondContact SG-O 3.22Å; C15-Q29 PolarHBondContact SG-N 2.67Å
16E87.3Confident80.7Confident123 Ų12355.8 Ų55.858%0.57529%0.286SS*.THydrogen-bonded Turntrans-55.1-38.3-176.7-60.7-176.3157.500113.5Y28E16-Y28 HydrophobicContact CG-CD1 4.16Å
17E88Confident80.8Confident89 Ų8953.3 Ų53.342%0.41628%0.276SS..THydrogen-bonded Turntrans-99.25.9-178.5-65.8-65.414300112C15 Q19 T52 G67 C68 G81C15-E17 VanDerWaalsContact C-N 3.26Å; C15-E17 PolarHBondContact O-N 2.93Å; E17-Q19 VanDerWaalsContact C-N 3.34Å; E17-T52 HydrophobicContact CG-CG2 4.4Å; E17-G67 CarbonylContact O-C 3.13Å; E17-G67 WeakPolarHBondContact O-CA 3.42Å; E17-C68 HydrophobicContact CB-CB 4.02Å; E17-C68 HydrophobicContact CG-CB 4Å; E17-G81 PolarHBondContact O-N 3.08Å
18G87Confident80.9Confident12 Ų1258 Ų5812%0.12429%0.292CS..SBendtrans70.726.5-174.800000114.1C15 L20 T21 C66C15-G18 PolarHBondContact O-N 3Å; G18-L20 PolarHBondContact O-N 3.32Å; G18-T21 PolarHBondContact O-N 2.9Å; G18-C66 PolarHBondContact O-SG 3.04Å; G18-C66 VanDerWaalsContact O-SG 3.38Å
19Q89.3Confident80.9Confident1 Ų159 Ų591%0.00530%0.297CS..THydrogen-bonded Turntrans-67.5-7.917568.5-87.943.500114.4S14 C15 E17 T54 Y428S14-Q19 VanDerWaalsContact O-CD 3.26Å; S14-Q19 WeakPolarHBondContact O-CG 3.23Å; S14-Q19 PolarHBondContact O-NE2 3.31Å; S14-Q19 VanDerWaalsContact O-NE2 3.16Å; S14-Q19 PolarHBondContact OG-NE2 2.93Å; S14-Q19 VanDerWaalsContact OG-NE2 3.08Å; C15-Q19 VanDerWaalsContact C-OE1 3.25Å; E17-Q19 VanDerWaalsContact C-N 3.34Å; Q19-T54 PolarHBondContact O-OG1 3.21Å; Q19-Y428 PolarHBondContact O-OH 2.94Å
20L87.7Confident80.9Confident0 Ų059.4 Ų59.40%030%0.298CS..THydrogen-bonded Turntrans-98.512176.9-67.3-168.8000115.2A11 S14 C15 G18 L22 I30 H426 Y428A11-L20 HydrophobicContact CB-CD2 3.8Å; S14-L20 WeakPolarHBondContact O-CG 3.45Å; C15-L20 HydrophobicContact CB-CB 3.89Å; C15-L20 HydrophobicContact CB-CD1 3.89Å; C15-L20 HydrophobicContact CB-CG 3.9Å; G18-L20 PolarHBondContact O-N 3.32Å; L20-L22 PolarHBondContact O-N 3.25Å; L20-L22 VanDerWaalsContact O-N 3.11Å; L20-I30 HydrophobicContact CD1-CB 4.48Å; L20-I30 HydrophobicContact CD1-CD1 3.48Å; L20-I30 VanDerWaalsContact CD1-CD1 3.48Å; L20-I30 HydrophobicContact CD1-CG1 3.9Å; L20-H426 HydrophobicContact CD2-CB 3.85Å; L20-Y428 WeakPolarHBondContact CA-OH 3.24Å; L20-Y428 HydrophobicContact CD2-CE2 3.79Å
21T76Confident80.9Confident29 Ų2961.9 Ų61.918%0.17831%0.312CS..  trans5721.4-179.959.70000115.3G18 L36 F56 C66 L83G18-T21 PolarHBondContact O-N 2.9Å; T21-L36 WeakPolarHBondContact OG1-CD1 3.4Å; T21-F56 HydrophobicContact CG2-CE1 4.49Å; T21-F56 HydrophobicContact CG2-CE2 3.75Å; T21-F56 HydrophobicContact CG2-CZ 3.52Å; T21-C66 HydrophobicContact CG2-CB 4.31Å; T21-C66 WeakPolarHBondContact CG2-SG 3.4Å; T21-L83 HydrophobicContact CG2-CB 4.16Å; T21-L83 HydrophobicContact CG2-CD1 4.02Å; T21-L83 HydrophobicContact CG2-CD2 4.16Å; T21-L83 HydrophobicContact CG2-CG 4.36Å
22L66.9Low80.9Confident35 Ų3566 Ų6618%0.18333%0.333CS..  trans-87.8131.9178-72.8176.6000110.7L20 K24 I30 L36L20-L22 PolarHBondContact O-N 3.25Å; L20-L22 VanDerWaalsContact O-N 3.11Å; L22-K24 PolarHBondContact O-N 3.43Å; L22-I30 HydrophobicContact CD1-CD1 3.42Å; L22-I30 VanDerWaalsContact CD1-CD1 3.42Å; L22-I30 HydrophobicContact CD1-CG1 4.02Å; L22-I30 HydrophobicContact CG-CD1 4.42Å; L22-L36 HydrophobicContact CD2-CD2 3.59Å; L22-L36 HydrophobicContact CG-CD2 4.1Å
23D58.7Low80.9Confident145 Ų14566.8 Ų66.878%0.77534%0.339SS*.  trans-56.7132.7162.6-71.5-34.1000109.1N25D23-N25 PolarHBondContact O-N 3.47Å; D23-N25 PolarHBondContact O-ND2 2.85Å
24K54Low80.7Confident213 Ų21371.1 Ų71.193%0.92636%0.357SS*.  trans-22.887.7-179.3-64.7-179.5178.4-178.60113.3L22L22-K24 PolarHBondContact O-N 3.43Å
25N55.5Low80.4Confident92 Ų9273.1 Ų73.149%0.49237%0.374SS..  trans-97.2144164.5-79.2-54.4000107.1D23 A27D23-N25 PolarHBondContact O-N 3.47Å; D23-N25 PolarHBondContact O-ND2 2.85Å; N25-A27 HydrophobicContact CB-CB 4.42Å; N25-A27 PolarHBondContact O-N 2.97Å
26D61.3Low80.2Confident168 Ų16873 Ų7390%0.89837%0.373SS*.SBendtrans-66.58.1173.3-64-36.5000113.5
27A70.6Confident79.6Confident51 Ų5172.6 Ų72.642%0.42137%0.374SS..  trans-91122.1178.200000110.4C15 N25 Q29C15-A27 PolarHBondContact SG-O 3.02Å; N25-A27 HydrophobicContact CB-CB 4.42Å; N25-A27 PolarHBondContact O-N 2.97Å; A27-Q29 VanDerWaalsContact C-N 3.3Å
28Y81.7Confident78.5Confident168 Ų16870.1 Ų70.166%0.65937%0.365SS*.SBendtrans-76.9-16.5174.8-61.8-81.1000113.4C15 E16C15-Y28 PolarHBondContact N-O 3.32Å; C15-Y28 PolarHBondContact SG-O 3.22Å; E16-Y28 HydrophobicContact CG-CD1 4.16Å
29Q86.4Confident77.2Confident67 Ų6779.3 Ų79.331%0.31340%0.396SS..EExtended strand (participates in β ladder)trans-154.3153.8-178.560.1-176-1300112G13 C15 A27 L31 T370 N371 A372G13-Q29 CarbonylContact O-C 3.58Å; G13-Q29 WeakPolarHBondContact O-CA 3.37Å; C15-Q29 PolarHBondContact SG-N 2.67Å; A27-Q29 VanDerWaalsContact C-N 3.3Å; Q29-L31 HydrophobicContact CG-CD2 4.33Å; Q29-T370 PolarHBondContact OE1-O 2.93Å; Q29-N371 VanDerWaalsContact OE1-CA 3.31Å; Q29-A372 HydrophobicContact CB-CB 4.49Å
30I91.4Very high76Confident16 Ų1687 Ų878%0.08244%0.437CS..EExtended strand (participates in β ladder)trans-109.9122172.1-49.6175.8000108.7W12 G13 L20 L22 I32 K34W12-I30 HydrophobicContact CB-CB 4.3Å; W12-I30 HydrophobicContact CB-CG2 4.28Å; G13-I30 PolarHBondContact N-O 2.68Å; G13-I30 PolarHBondContact O-N 3.01Å; L20-I30 HydrophobicContact CD1-CB 4.48Å; L20-I30 HydrophobicContact CD1-CD1 3.48Å; L20-I30 VanDerWaalsContact CD1-CD1 3.48Å; L20-I30 HydrophobicContact CD1-CG1 3.9Å; L22-I30 HydrophobicContact CD1-CD1 3.42Å; L22-I30 VanDerWaalsContact CD1-CD1 3.42Å; L22-I30 HydrophobicContact CD1-CG1 4.02Å; L22-I30 HydrophobicContact CG-CD1 4.42Å; I30-I32 WeakPolarHBondContact CG2-O 3.28Å; I30-K34 HydrophobicContact CD1-CB 4.41Å; I30-K34 HydrophobicContact CD1-CD 4.37Å; I30-K34 HydrophobicContact CG2-CB 3.83Å; I30-K34 HydrophobicContact CG2-CD 4.45Å
31L92.7Very high75Confident68 Ų6888.6 Ų88.636%0.35645%0.445SS..EExtended strand (participates in β ladder)trans-81.5-23.3-171.4-59.6176.4000115.4Q29 A372 G375 M376 G377 T379Q29-L31 HydrophobicContact CG-CD2 4.33Å; L31-A372 HydrophobicContact CB-CB 4.48Å; L31-A372 HydrophobicContact CD2-CB 3.39Å; L31-A372 HydrophobicContact CG-CB 4.43Å; L31-G375 CarbonylContact O-C 3.26Å; L31-G375 VanDerWaalsContact O-C 3.23Å; L31-G375 WeakPolarHBondContact O-CA 3.44Å; L31-M376 PolarHBondContact O-N 2.78Å; L31-G377 WeakPolarHBondContact O-CA 3.43Å; L31-G377 PolarHBondContact O-N 3.14Å; L31-T379 HydrophobicContact CD2-CG2 4.03Å
32I92.9Very high74.7Confident86 Ų8688.9 Ų88.944%0.44145%0.448SS..EExtended strand (participates in β ladder)trans-134.6151.6-178.654.8173.9000109.2I30 K34 K389I30-I32 WeakPolarHBondContact CG2-O 3.28Å; I32-K34 PolarHBondContact O-N 2.72Å; I32-K389 HydrophobicContact CG2-CB 4.16Å; I32-K389 HydrophobicContact CG2-CD 3.83Å
33P93.8Very high75.4Confident18 Ų1891.1 Ų91.112%0.11746%0.463CS..EExtended strand (participates in β ladder)trans-50.2118175.3-28.837000111.7F10 W12 V388 K389 W392F10-P33 HydrophobicContact CB-CB 4.39Å; F10-P33 HydrophobicContact CD1-CB 4.3Å; W12-P33 HydrophobicContact CD2-CB 4.28Å; W12-P33 HydrophobicContact CD2-CG 3.81Å; W12-P33 HydrophobicContact CE3-CB 3.68Å; W12-P33 HydrophobicContact CE3-CG 3.62Å; W12-P33 HydrophobicContact CG-CG 4.4Å; W12-P33 HydrophobicContact CH2-CG 4.35Å; W12-P33 HydrophobicContact CZ2-CG 4.49Å; W12-P33 HydrophobicContact CZ3-CB 4.06Å; W12-P33 HydrophobicContact CZ3-CG 3.94Å; P33-V388 HydrophobicContact CG-CG1 3.57Å; P33-K389 WeakPolarHBondContact CD-O 3.07Å; P33-K389 WeakPolarHBondContact CG-O 3.13Å; P33-W392 HydrophobicContact CB-CH2 4.26Å; P33-W392 HydrophobicContact CB-CZ2 3.84Å; P33-W392 HydrophobicContact CG-CZ2 4.03Å
34K91.1Very high76.6Confident90 Ų9084.9 Ų84.939%0.39143%0.429SS..EExtended strand (participates in β ladder)trans-111.2127.4179.5-176.2-179.9178.4-176.60108.9F10 A11 I30 I32 L36F10-K34 VanDerWaalsContact CA-O 3.29Å; F10-K34 WeakPolarHBondContact CA-O 3.44Å; A11-K34 PolarHBondContact N-O 3.47Å; A11-K34 PolarHBondContact O-N 3.07Å; I30-K34 HydrophobicContact CD1-CB 4.41Å; I30-K34 HydrophobicContact CD1-CD 4.37Å; I30-K34 HydrophobicContact CG2-CB 3.83Å; I30-K34 HydrophobicContact CG2-CD 4.45Å; I32-K34 PolarHBondContact O-N 2.72Å; K34-L36 PolarHBondContact O-N 2.92Å
35A87.9Confident78.1Confident47 Ų4777.9 Ų77.939%0.38840%0.401SS..EExtended strand (participates in β ladder)trans-62.7129.3170.800000109.2F10F10-A35 HydrophobicContact CD1-CB 4.05Å; F10-A35 HydrophobicContact CE1-CB 3.71Å; F10-A35 HydrophobicContact CZ-CB 3.99Å
36L84.7Confident79.8Confident16 Ų1674.8 Ų74.88%0.08438%0.384CS..EExtended strand (participates in β ladder)trans-95.6131.1177.5-62176.9000108.8L9 A11 T21 L22 K34 V38 Y428L9-L36 HydrophobicContact CD2-CD1 3.9Å; L9-L36 HydrophobicContact CG-CD1 4.14Å; L9-L36 PolarHBondContact O-N 3.36Å; A11-L36 HydrophobicContact CB-CD1 3.52Å; A11-L36 HydrophobicContact CB-CG 4.12Å; T21-L36 WeakPolarHBondContact OG1-CD1 3.4Å; L22-L36 HydrophobicContact CD2-CD2 3.59Å; L22-L36 HydrophobicContact CG-CD2 4.1Å; K34-L36 PolarHBondContact O-N 2.92Å; L36-V38 HydrophobicContact CB-CG2 3.69Å; L36-V38 PolarHBondContact O-N 3.36Å; L36-V38 VanDerWaalsContact O-N 3.12Å; L36-Y428 HydrophobicContact CD1-CD1 4.37Å; L36-Y428 HydrophobicContact CD1-CE1 3.68Å
37D73.4Confident81.3Confident113 Ų11367 Ų6760%0.60434%0.343SS*.  trans-81.792174.3-166.3-10.6000109R39D37-R39 VanDerWaalsContact CG-NE 3.3Å; D37-R39 WeakPolarHBondContact OD1-CD 3.06Å; D37-R39 WeakPolarHBondContact OD1-CG 3.31Å; D37-R39 IonicContact OD1-CZ 2.7Å; D37-R39 PolarHBondContact OD1-N 3.48Å; D37-R39 IonicContact OD1-NE 2.8Å; D37-R39 PolarHBondContact OD1-NE 3.35Å; D37-R39 IonicContact OD1-NH2 3.69Å; D37-R39 IonicContact OD2-CZ 3.68Å; D37-R39 IonicContact OD2-NE 3.96Å; D37-R39 PolarHBondContact OD2-NE 3.31Å; D37-R39 IonicContact OD2-NH2 2.64Å; D37-R39 PolarHBondContact OD2-NH2 3.44Å
38V65.8Low82.5Confident37 Ų3765.7 Ų65.722%0.22433%0.329CS..  trans-108.737.8-177.5-146.50000111.6L9 L36 N40 L41L9-V38 HydrophobicContact CB-CG2 4.23Å; L9-V38 HydrophobicContact CD2-CG2 3.98Å; L36-V38 HydrophobicContact CB-CG2 3.69Å; L36-V38 PolarHBondContact O-N 3.36Å; L36-V38 VanDerWaalsContact O-N 3.12Å; V38-N40 PolarHBondContact O-N 2.91Å; V38-L41 HydrophobicContact CB-CB 4.48Å; V38-L41 HydrophobicContact CG1-CB 3.6Å; V38-L41 HydrophobicContact CG1-CD1 3.24Å; V38-L41 HydrophobicContact CG1-CG 3.35Å; V38-L41 PolarHBondContact O-N 3.41Å
39R58.9Low83.1Confident206 Ų20658.3 Ų58.378%0.77730%0.302SS*.THydrogen-bonded Turntrans-49.8-22.7-176.7-89.1175.4-127.6-155.95.1115.9D37D37-R39 VanDerWaalsContact CG-NE 3.3Å; D37-R39 WeakPolarHBondContact OD1-CD 3.06Å; D37-R39 WeakPolarHBondContact OD1-CG 3.31Å; D37-R39 IonicContact OD1-CZ 2.7Å; D37-R39 PolarHBondContact OD1-N 3.48Å; D37-R39 IonicContact OD1-NE 2.8Å; D37-R39 PolarHBondContact OD1-NE 3.35Å; D37-R39 IonicContact OD1-NH2 3.69Å; D37-R39 IonicContact OD2-CZ 3.68Å; D37-R39 IonicContact OD2-NE 3.96Å; D37-R39 PolarHBondContact OD2-NE 3.31Å; D37-R39 IonicContact OD2-NH2 2.64Å; D37-R39 PolarHBondContact OD2-NH2 3.44Å
40N64.4Low83.5Confident162 Ų16255.2 Ų55.287%0.86629%0.288SS*.THydrogen-bonded Turntrans-100.9-3.2-177.9-65-19.1000114.2V38V38-N40 PolarHBondContact O-N 2.91Å
41L66.4Low83.7Confident33 Ų3355.7 Ų55.717%0.17329%0.289CS..SBendtrans-85.8139.6173.5-80.3-174.1000111.4V38 L44 Y64 L83V38-L41 HydrophobicContact CB-CB 4.48Å; V38-L41 HydrophobicContact CG1-CB 3.6Å; V38-L41 HydrophobicContact CG1-CD1 3.24Å; V38-L41 HydrophobicContact CG1-CG 3.35Å; V38-L41 PolarHBondContact O-N 3.41Å; L41-L44 HydrophobicContact CD1-CD1 4.29Å; L41-L44 HydrophobicContact CD1-CD2 4.09Å; L41-L44 HydrophobicContact CD1-CG 4.5Å; L41-Y64 HydrophobicContact CD2-CD1 4.03Å; L41-Y64 HydrophobicContact CD2-CD2 4.31Å; L41-Y64 HydrophobicContact CD2-CE1 4.14Å; L41-Y64 HydrophobicContact CD2-CE2 4.42Å; L41-Y64 HydrophobicContact CD2-CG 4.14Å; L41-L83 HydrophobicContact CD1-CD2 3.36Å; L41-L83 HydrophobicContact CD2-CD2 3.67Å; L41-L83 HydrophobicContact CG-CD2 3.71Å
42P71.4Confident83.7Confident35 Ų3554.2 Ų54.223%0.22728%0.283CS..PPolyproline II helixtrans-59161.4163.1-15.328.1000110.8L44 T58P42-L44 PolarHBondContact O-N 3.11Å; P42-T58 HydrophobicContact CB-CG2 3.96Å; P42-T58 HydrophobicContact CG-CG2 3.93Å
43T81.4Confident83.8Confident82 Ų8250.1 Ų50.150%0.50326%0.262SS..PPolyproline II helixtrans-51.2125.8177-54.40000110.9T58 I59T43-T58 CarbonylContact O-C 3.59Å; T43-T58 WeakPolarHBondContact O-CA 3.43Å; T43-I59 PolarHBondContact O-N 2.79Å
44L83.6Confident83.9Confident14 Ų1449.2 Ų49.27%0.07326%0.256CS..EExtended strand (participates in β ladder)trans-85.7136.7-178.5-65.7175.7000110.4L9 L41 P42 I47 F56 T58L9-L44 HydrophobicContact CD2-CD1 4Å; L41-L44 HydrophobicContact CD1-CD1 4.29Å; L41-L44 HydrophobicContact CD1-CD2 4.09Å; L41-L44 HydrophobicContact CD1-CG 4.5Å; P42-L44 PolarHBondContact O-N 3.11Å; L44-I47 HydrophobicContact CD1-CD1 4.2Å; L44-F56 HydrophobicContact CD1-CD1 4.02Å; L44-F56 HydrophobicContact CD2-CB 3.94Å; L44-F56 HydrophobicContact CD2-CD1 4.3Å; L44-T58 HydrophobicContact CD2-CG2 4.23Å
45I84.5Confident84.1Confident66 Ų6645 Ų4534%0.33824%0.238SC..EExtended strand (participates in β ladder)trans-111.4-25.4175.962.3169.5000112.8L57 I59I45-L57 HydrophobicContact CD1-CD2 3.78Å; I45-L57 HydrophobicContact CD1-CG 3.88Å; I45-L57 HydrophobicContact CG1-CB 4.31Å; I45-L57 HydrophobicContact CG1-CD2 4Å; I45-L57 HydrophobicContact CG1-CG 3.79Å; I45-L57 WeakPolarHBondContact CG1-O 3.37Å; I45-L57 PolarHBondContact N-O 2.8Å; I45-I59 HydrophobicContact CG2-CB 3.88Å; I45-I59 HydrophobicContact CG2-CG1 4.17Å
46Q91.4Very high84.4Confident28 Ų2842.8 Ų42.813%0.13122%0.219CC..EExtended strand (participates in β ladder)trans-151.4138.7-179.9-171.9-177.3-14.700110.7L57 S96 V97Q46-L57 HydrophobicContact CB-CB 4.15Å; Q46-L57 HydrophobicContact CB-CD2 4.32Å; Q46-L57 PolarHBondContact N-O 3.41Å; Q46-L57 PolarHBondContact O-N 2.82Å; Q46-S96 PolarHBondContact OE1-OG 3.09Å; Q46-V97 HydrophobicContact CG-CG2 4.29Å; Q46-V97 PolarHBondContact NE2-O 3.41Å
47I94Very high84.9Confident5 Ų542 Ų423%0.02622%0.215CC..EExtended strand (participates in β ladder)trans-122.3134.5170.3-52.7178000106.8L9 L44 T54 F56 F421 Y428L9-I47 HydrophobicContact CD1-CD1 3.34Å; L9-I47 HydrophobicContact CD2-CD1 4.4Å; L44-I47 HydrophobicContact CD1-CD1 4.2Å; I47-T54 HydrophobicContact CG2-CG2 3.54Å; I47-F56 HydrophobicContact CD1-CD1 4.08Å; I47-F56 HydrophobicContact CD1-CE1 4.06Å; I47-F56 HydrophobicContact CG1-CD1 3.87Å; I47-F56 HydrophobicContact CG1-CE1 4.25Å; I47-F56 HydrophobicContact CG2-CD1 4.09Å; I47-F56 HydrophobicContact CG2-CE1 3.96Å; I47-F421 HydrophobicContact CB-CB 4.29Å; I47-F421 HydrophobicContact CB-CD1 4.09Å; I47-F421 HydrophobicContact CB-CD2 3.86Å; I47-F421 HydrophobicContact CB-CE1 4.28Å; I47-F421 HydrophobicContact CB-CE2 4.08Å; I47-F421 HydrophobicContact CB-CG 3.83Å; I47-F421 HydrophobicContact CB-CZ 4.25Å; I47-F421 HydrophobicContact CD1-CD2 4.08Å; I47-F421 HydrophobicContact CD1-CE2 4.04Å; I47-F421 HydrophobicContact CG1-CD2 4.18Å; I47-F421 HydrophobicContact CG1-CE2 4.02Å; I47-F421 HydrophobicContact CG1-CZ 4.29Å; I47-F421 WeakPolarHBondContact O-CD1 3.44Å; I47-F421 WeakPolarHBondContact O-CE1 3.34Å; I47-Y428 HydrophobicContact CD1-CD1 4.24Å; I47-Y428 HydrophobicContact CD1-CG 4.28Å; I47-Y428 HydrophobicContact CG2-CD2 4.03Å; I47-Y428 HydrophobicContact CG2-CE2 4.49Å; I47-Y428 HydrophobicContact CG2-CG 4.18Å
48T94.8Very high85.7Confident23 Ų2336.6 Ų36.614%0.14119%0.187CC..EExtended strand (participates in β ladder)trans-135.5140174.5-176.50000108.4V55 V97 C99T48-V55 HydrophobicContact CG2-CB 3.92Å; T48-V55 HydrophobicContact CG2-CG1 4.44Å; T48-V55 PolarHBondContact N-O 2.93Å; T48-V55 PolarHBondContact O-N 2.88Å; T48-V97 HydrophobicContact CG2-CB 3.96Å; T48-V97 HydrophobicContact CG2-CG2 3.54Å; T48-C99 VanDerWaalsContact C-SG 3.6Å; T48-C99 HydrophobicContact CG2-CB 4.34Å; T48-C99 VanDerWaalsContact CG2-SG 3.58Å; T48-C99 PolarHBondContact O-SG 3.48Å; T48-C99 VanDerWaalsContact O-SG 3.35Å; T48-C99 PolarHBondContact OG1-N 3.44Å
49C93.7Very high86.8Confident13 Ų1339.3 Ų39.39%0.08820%0.199CC..EExtended strand (participates in β ladder)trans-127.9128.3-165.5-60.60000108.7C99C49-C99 VanDerWaalsContact C-CB 3.42Å
50G95.2Very high88.3Confident2 Ų234.3 Ų34.32%0.02119%0.188CC..  trans-85.7-155.7168.900000111.3H53 G100 G424G50-H53 PolarHBondContact N-O 3.17Å; G50-G100 WeakPolarHBondContact CA-O 3.45Å; G50-G424 PolarHBondContact O-N 3.45Å
51Y95.4Very high89.6Confident25 Ų2526.8 Ų26.810%0.09815%0.148CC..SBendtrans-69.2-45.7179.4-80.113.5000112A101 Y102 V151 E297 R350Y51-A101 HydrophobicContact CD1-CB 3.77Å; Y51-A101 HydrophobicContact CD2-CB 3.8Å; Y51-A101 HydrophobicContact CE1-CB 3.69Å; Y51-A101 HydrophobicContact CE2-CB 3.75Å; Y51-A101 HydrophobicContact CG-CB 3.83Å; Y51-A101 PolarHBondContact N-O 3.34Å; Y51-Y102 HydrophobicContact CD2-CE1 4.4Å; Y51-Y102 HydrophobicContact CD2-CE2 4.48Å; Y51-Y102 AromaticContact CD2-CZ 3.97Å; Y51-V151 VanDerWaalsContact OH-CG2 3.22Å; Y51-V151 WeakPolarHBondContact OH-CG2 3.47Å; Y51-E297 WeakPolarHBondContact OH-CG 3.38Å; Y51-E297 PolarHBondContact OH-OE1 2.81Å; Y51-E297 PolarHBondContact OH-OE2 2.85Å; Y51-R350 HydrophobicContact CD1-CG 3.9Å; Y51-R350 HydrophobicContact CE1-CG 3.52Å
52T93.8Very high90.9Very high37 Ų3727.7 Ų27.723%0.22715%0.151CC..SBendtrans-137.518.3-173.853.70000112.6E17 G67 C68E17-T52 HydrophobicContact CG-CG2 4.4Å; T52-G67 WeakPolarHBondContact O-CA 3.32Å; T52-C68 PolarHBondContact O-N 2.86Å; T52-C68 WeakPolarHBondContact OG1-CB 3.28Å
53H94.7Very high92.1Very high0 Ų026.1 Ų26.10%014%0.142CC..EExtended strand (participates in β ladder)trans-141.9160.817671.5-72.9000111.7G50 C66 Q73 L74 N104G50-H53 PolarHBondContact N-O 3.17Å; H53-C66 CarbonylContact C-O 3.51Å; H53-C66 WeakPolarHBondContact CA-O 3.11Å; H53-C66 WeakPolarHBondContact CB-O 3.38Å; H53-Q73 HydrophobicContact CB-CG 4.41Å; H53-L74 HydrophobicContact CB-CD2 4.09Å; H53-N104 PolarHBondContact NE2-OD1 3.41Å
54T95Very high92.7Very high0 Ų024 Ų240%012%0.124CC..EExtended strand (participates in β ladder)trans-131.9138.3179.5-54.20000109.6Q19 I47 F56 S65 C66 H426 Y428Q19-T54 PolarHBondContact O-OG1 3.21Å; I47-T54 HydrophobicContact CG2-CG2 3.54Å; T54-F56 HydrophobicContact CG2-CD1 4.49Å; T54-F56 HydrophobicContact CG2-CD2 4.14Å; T54-F56 HydrophobicContact CG2-CE1 3.88Å; T54-F56 HydrophobicContact CG2-CE2 3.47Å; T54-F56 VanDerWaalsContact CG2-CE2 3.47Å; T54-F56 HydrophobicContact CG2-CZ 3.32Å; T54-S65 CarbonylContact O-C 3.51Å; T54-S65 WeakPolarHBondContact O-CA 3.45Å; T54-C66 PolarHBondContact N-O 2.91Å; T54-C66 PolarHBondContact O-N 3.48Å; T54-H426 PolarHBondContact OG1-NE2 2.88Å; T54-Y428 HydrophobicContact CG2-CD2 4.28Å; T54-Y428 HydrophobicContact CG2-CE2 3.64Å
55V95.7Very high93.2Very high1 Ų123.3 Ų23.31%0.00612%0.121CC..EExtended strand (participates in β ladder)trans-119.6133.6174.7-179.90000109T48 V63 Y64 V97T48-V55 HydrophobicContact CG2-CB 3.92Å; T48-V55 HydrophobicContact CG2-CG1 4.44Å; T48-V55 PolarHBondContact N-O 2.93Å; T48-V55 PolarHBondContact O-N 2.88Å; V55-V63 HydrophobicContact CG1-CG1 3.49Å; V55-V63 VanDerWaalsContact CG1-CG1 3.49Å; V55-Y64 CarbonylContact C-O 3.51Å; V55-Y64 WeakPolarHBondContact CA-O 3.39Å; V55-V97 HydrophobicContact CG1-CB 4.21Å; V55-V97 HydrophobicContact CG1-CG1 4.22Å; V55-V97 HydrophobicContact CG1-CG2 4.37Å
56F94.2Very high93.5Very high0 Ų020.2 Ų20.20%011%0.105CC..EExtended strand (participates in β ladder)trans-117.4138.4-176.2-56.6-95.5000109.4L9 T21 L44 I47 T54 V63 Y64 L83 Y428L9-F56 HydrophobicContact CD2-CE1 4.28Å; T21-F56 HydrophobicContact CG2-CE1 4.49Å; T21-F56 HydrophobicContact CG2-CE2 3.75Å; T21-F56 HydrophobicContact CG2-CZ 3.52Å; L44-F56 HydrophobicContact CD1-CD1 4.02Å; L44-F56 HydrophobicContact CD2-CB 3.94Å; L44-F56 HydrophobicContact CD2-CD1 4.3Å; I47-F56 HydrophobicContact CD1-CD1 4.08Å; I47-F56 HydrophobicContact CD1-CE1 4.06Å; I47-F56 HydrophobicContact CG1-CD1 3.87Å; I47-F56 HydrophobicContact CG1-CE1 4.25Å; I47-F56 HydrophobicContact CG2-CD1 4.09Å; I47-F56 HydrophobicContact CG2-CE1 3.96Å; T54-F56 HydrophobicContact CG2-CD1 4.49Å; T54-F56 HydrophobicContact CG2-CD2 4.14Å; T54-F56 HydrophobicContact CG2-CE1 3.88Å; T54-F56 HydrophobicContact CG2-CE2 3.47Å; T54-F56 VanDerWaalsContact CG2-CE2 3.47Å; T54-F56 HydrophobicContact CG2-CZ 3.32Å; F56-V63 WeakPolarHBondContact O-CA 3.44Å; F56-Y64 PolarHBondContact N-O 2.85Å; F56-Y64 PolarHBondContact O-N 3.43Å; F56-L83 HydrophobicContact CD2-CD1 3.47Å; F56-L83 VanDerWaalsContact CD2-CD1 3.47Å; F56-L83 HydrophobicContact CE2-CD1 3.53Å; F56-L83 HydrophobicContact CG-CD1 4.43Å; F56-Y428 HydrophobicContact CE1-CE1 4.12Å; F56-Y428 HydrophobicContact CZ-CE1 4.22Å; F56-Y428 HydrophobicContact CZ-CE2 4.5Å; F56-Y428 AromaticContact CZ-CZ 3.85Å; F56-Y428 WeakPolarHBondContact CZ-OH 3.48Å
57L94.7Very high93.6Very high0 Ų018.9 Ų18.90%010%0.099CC..EExtended strand (participates in β ladder)trans-117.8126.4172.7177.364000109.3I45 Q46 E62 V63 I94 V97I45-L57 HydrophobicContact CD1-CD2 3.78Å; I45-L57 HydrophobicContact CD1-CG 3.88Å; I45-L57 HydrophobicContact CG1-CB 4.31Å; I45-L57 HydrophobicContact CG1-CD2 4Å; I45-L57 HydrophobicContact CG1-CG 3.79Å; I45-L57 WeakPolarHBondContact CG1-O 3.37Å; I45-L57 PolarHBondContact N-O 2.8Å; Q46-L57 HydrophobicContact CB-CB 4.15Å; Q46-L57 HydrophobicContact CB-CD2 4.32Å; Q46-L57 PolarHBondContact N-O 3.41Å; Q46-L57 PolarHBondContact O-N 2.82Å; L57-E62 WeakPolarHBondContact CA-O 3.34Å; L57-V63 HydrophobicContact CD1-CG2 4.13Å; L57-I94 HydrophobicContact CD1-CB 3.76Å; L57-I94 HydrophobicContact CD1-CG2 3.71Å; L57-I94 HydrophobicContact CD2-CG2 4.43Å; L57-V97 HydrophobicContact CB-CG1 4.34Å; L57-V97 HydrophobicContact CB-CG2 3.85Å; L57-V97 HydrophobicContact CD2-CG2 4.49Å
58T91.9Very high93.5Very high0 Ų018.8 Ų18.80%010%0.099CC..EExtended strand (participates in β ladder)trans-89.5164177.769.50000112P42 T43 L44 D60 G61 E62 Y64P42-T58 HydrophobicContact CB-CG2 3.96Å; P42-T58 HydrophobicContact CG-CG2 3.93Å; T43-T58 CarbonylContact O-C 3.59Å; T43-T58 WeakPolarHBondContact O-CA 3.43Å; L44-T58 HydrophobicContact CD2-CG2 4.23Å; T58-D60 PolarHBondContact O-N 2.99Å; T58-G61 PolarHBondContact O-N 3.33Å; T58-E62 HydrophobicContact CG2-CB 4.46Å; T58-E62 PolarHBondContact N-O 2.85Å; T58-E62 WeakPolarHBondContact OG1-CB 3.27Å; T58-E62 PolarHBondContact OG1-N 3.06Å; T58-E62 VanDerWaalsContact OG1-N 3.09Å; T58-E62 PolarHBondContact OG1-O 3.28Å; T58-Y64 HydrophobicContact CG2-CD2 3.85Å; T58-Y64 HydrophobicContact CG2-CE2 3.66Å
59I88.2Confident93.4Very high93 Ų9319.8 Ų19.848%0.47710%0.103SC..THydrogen-bonded Turntrans-59.4-28.5174.6-165.5165.3000112.9T43 I45 G61T43-I59 PolarHBondContact O-N 2.79Å; I45-I59 HydrophobicContact CG2-CB 3.88Å; I45-I59 HydrophobicContact CG2-CG1 4.17Å; I59-G61 PolarHBondContact O-N 3.3Å
60D89.2Confident93.2Very high102 Ų10226.5 Ų26.555%0.54513%0.133SC..THydrogen-bonded Turntrans-77.1-6.4176.8-61-46.7000112.6T58 E62T58-D60 PolarHBondContact O-N 2.99Å; D60-E62 HydrophobicContact CB-CG 4.27Å
61G92.5Very high93.1Very high4 Ų429.6 Ų29.64%0.04115%0.146CC..SBendtrans81.120.9-178.400000113.5T58 I59 I94T58-G61 PolarHBondContact O-N 3.33Å; I59-G61 PolarHBondContact O-N 3.3Å; G61-I94 VanDerWaalsContact CA-O 3.27Å; G61-I94 WeakPolarHBondContact CA-O 3.47Å; G61-I94 VanDerWaalsContact O-CB 3.32Å; G61-I94 WeakPolarHBondContact O-CB 3.47Å; G61-I94 WeakPolarHBondContact O-CG1 3.41Å; G61-I94 PolarHBondContact O-N 3.3Å; G61-I94 VanDerWaalsContact O-N 3.08Å
62E94.4Very high93Very high51 Ų5133.6 Ų33.624%0.23817%0.166CC..  trans-89.3147174.4-54.7-174.6136.300110.8L57 T58 D60 Y64 K85L57-E62 WeakPolarHBondContact CA-O 3.34Å; T58-E62 HydrophobicContact CG2-CB 4.46Å; T58-E62 PolarHBondContact N-O 2.85Å; T58-E62 WeakPolarHBondContact OG1-CB 3.27Å; T58-E62 PolarHBondContact OG1-N 3.06Å; T58-E62 VanDerWaalsContact OG1-N 3.09Å; T58-E62 PolarHBondContact OG1-O 3.28Å; D60-E62 HydrophobicContact CB-CG 4.27Å; E62-Y64 HydrophobicContact CB-CD2 4.42Å; E62-Y64 HydrophobicContact CB-CE2 3.71Å; E62-Y64 WeakPolarHBondContact OE2-CE2 3.25Å; E62-Y64 PolarHBondContact OE2-OH 3.45Å; E62-K85 WeakPolarHBondContact OE1-CE 3.36Å; E62-K85 IonicContact OE1-NZ 2.8Å; E62-K85 PolarHBondContact OE1-NZ 3.46Å
63V95.5Very high93Very high3 Ų331.9 Ų31.92%0.01816%0.155CC..EExtended strand (participates in β ladder)trans-111.7130-179.2-176.80000109.8V55 F56 L57 V86 L89 I94 V97V55-V63 HydrophobicContact CG1-CG1 3.49Å; V55-V63 VanDerWaalsContact CG1-CG1 3.49Å; F56-V63 WeakPolarHBondContact O-CA 3.44Å; L57-V63 HydrophobicContact CD1-CG2 4.13Å; V63-V86 HydrophobicContact CB-CB 4.28Å; V63-V86 HydrophobicContact CB-CG2 4.32Å; V63-V86 HydrophobicContact CG1-CB 4.29Å; V63-V86 HydrophobicContact CG1-CG2 3.85Å; V63-V86 PolarHBondContact O-N 3.4Å; V63-L89 HydrophobicContact CB-CD1 4.13Å; V63-L89 HydrophobicContact CG1-CD1 4.44Å; V63-L89 HydrophobicContact CG2-CD1 3.93Å; V63-I94 HydrophobicContact CG2-CB 3.92Å; V63-I94 HydrophobicContact CG2-CG1 3.68Å; V63-I94 HydrophobicContact CG2-CG2 3.86Å; V63-V97 HydrophobicContact CG1-CG1 4.23Å; V63-V97 HydrophobicContact CG2-CG1 3.88Å
64Y93.5Very high92.9Very high37 Ų3731.9 Ų31.915%0.14516%0.155CC..EExtended strand (participates in β ladder)trans-122.4155.5173.6-63.4-105.6000109.7L41 V55 F56 T58 E62 A84 K85L41-Y64 HydrophobicContact CD2-CD1 4.03Å; L41-Y64 HydrophobicContact CD2-CD2 4.31Å; L41-Y64 HydrophobicContact CD2-CE1 4.14Å; L41-Y64 HydrophobicContact CD2-CE2 4.42Å; L41-Y64 HydrophobicContact CD2-CG 4.14Å; V55-Y64 CarbonylContact C-O 3.51Å; V55-Y64 WeakPolarHBondContact CA-O 3.39Å; F56-Y64 PolarHBondContact N-O 2.85Å; F56-Y64 PolarHBondContact O-N 3.43Å; T58-Y64 HydrophobicContact CG2-CD2 3.85Å; T58-Y64 HydrophobicContact CG2-CE2 3.66Å; E62-Y64 HydrophobicContact CB-CD2 4.42Å; E62-Y64 HydrophobicContact CB-CE2 3.71Å; E62-Y64 WeakPolarHBondContact OE2-CE2 3.25Å; E62-Y64 PolarHBondContact OE2-OH 3.45Å; Y64-A84 CarbonylContact C-O 3.57Å; Y64-A84 WeakPolarHBondContact CA-O 3.2Å; Y64-K85 HydrophobicContact CD1-CB 3.9Å; Y64-K85 HydrophobicContact CE1-CB 3.62Å; Y64-K85 HydrophobicContact CE1-CG 4.13Å
65S94.2Very high92.8Very high0 Ų032.8 Ų32.80%016%0.164CC..EExtended strand (participates in β ladder)trans-147.3153.7178.151.20000112.4T54 L74 H76 A84T54-S65 CarbonylContact O-C 3.51Å; T54-S65 WeakPolarHBondContact O-CA 3.45Å; S65-L74 PolarHBondContact OG-O 2.92Å; S65-H76 PolarHBondContact O-NE2 2.95Å; S65-H76 PolarHBondContact OG-CD2 3.22Å; S65-H76 VanDerWaalsContact OG-CD2 3.24Å; S65-H76 PolarHBondContact OG-NE2 3.02Å; S65-A84 PolarHBondContact N-O 2.8Å; S65-A84 PolarHBondContact O-N 2.79Å
66C92.2Very high92.6Very high0 Ų033.9 Ų33.90%017%0.17CC..EExtended strand (participates in β ladder)trans-149.4165.9172.6740000110.3G18 T21 H53 T54 L74 L83G18-C66 PolarHBondContact O-SG 3.04Å; G18-C66 VanDerWaalsContact O-SG 3.38Å; T21-C66 HydrophobicContact CG2-CB 4.31Å; T21-C66 WeakPolarHBondContact CG2-SG 3.4Å; H53-C66 CarbonylContact C-O 3.51Å; H53-C66 WeakPolarHBondContact CA-O 3.11Å; H53-C66 WeakPolarHBondContact CB-O 3.38Å; T54-C66 PolarHBondContact N-O 2.91Å; T54-C66 PolarHBondContact O-N 3.48Å; C66-L74 VanDerWaalsContact C-CD2 3.49Å; C66-L74 WeakPolarHBondContact O-CD2 3.35Å; C66-L83 HydrophobicContact CB-CB 4.33Å; C66-L83 HydrophobicContact CB-CD1 4.09Å
67G92.3Very high92Very high0 Ų037.9 Ų37.90%021%0.211CC..EExtended strand (participates in β ladder)trans113.4-149.5-179.400000113.4E17 T52 G80 G81E17-G67 CarbonylContact O-C 3.13Å; E17-G67 WeakPolarHBondContact O-CA 3.42Å; T52-G67 WeakPolarHBondContact O-CA 3.32Å; G67-G80 WeakPolarHBondContact O-CA 3.26Å; G67-G81 PolarHBondContact O-N 2.68Å
68C91.8Very high91.3Very high4 Ų442.5 Ų42.53%0.02723%0.232CC..  trans-67.8145.1178.2-175.80000112.3E17 T52 Q73 L74E17-C68 HydrophobicContact CB-CB 4.02Å; E17-C68 HydrophobicContact CG-CB 4Å; T52-C68 PolarHBondContact O-N 2.86Å; T52-C68 WeakPolarHBondContact OG1-CB 3.28Å; C68-Q73 WeakPolarHBondContact O-CG 3.43Å; C68-Q73 PolarHBondContact O-NE2 3.4Å; C68-L74 WeakPolarHBondContact O-CD2 3.47Å; C68-L74 WeakPolarHBondContact O-CG 3.45Å
69N92.7Very high90.4Very high44 Ų4447.4 Ų47.424%0.23527%0.267CS..  trans-13221.6-179.2-153.523.3000114.6F71 Q72 Q73 L74 H76N69-F71 PolarHBondContact O-N 2.84Å; N69-F71 VanDerWaalsContact O-N 3.15Å; N69-Q72 PolarHBondContact O-N 3.03Å; N69-Q72 WeakPolarHBondContact OD1-CA 3.42Å; N69-Q73 VanDerWaalsContact CA-OE1 3.32Å; N69-Q73 PolarHBondContact OD1-N 2.99Å; N69-L74 HydrophobicContact CB-CB 4.43Å; N69-L74 HydrophobicContact CB-CD1 3.65Å; N69-L74 HydrophobicContact CB-CG 3.72Å; N69-L74 VanDerWaalsContact OD1-CB 3.29Å; N69-L74 WeakPolarHBondContact OD1-CB 3.23Å; N69-L74 WeakPolarHBondContact OD1-CG 3.42Å; N69-L74 PolarHBondContact OD1-N 3.01Å; N69-H76 PolarHBondContact ND2-O 3.14Å; N69-H76 VanDerWaalsContact ND2-O 3.12Å
70E91.1Very high89.5Confident154 Ų15445.1 Ų45.172%0.7227%0.266SS*.THydrogen-bonded Turntrans-54.6-32.1-177-73.1-177.3142.800114.5
71F92.5Very high88.7Confident66 Ų6641.2 Ų41.229%0.28925%0.25SC..THydrogen-bonded Turntrans-110.319.6-179.9-58.4-76.7000112.6N69 Q73 Y102 G117 C118 T131N69-F71 PolarHBondContact O-N 2.84Å; N69-F71 VanDerWaalsContact O-N 3.15Å; F71-Q73 PolarHBondContact O-N 3.31Å; F71-Y102 HydrophobicContact CD2-CD1 4.13Å; F71-Y102 HydrophobicContact CD2-CG 4.18Å; F71-Y102 AromaticContact CE2-CD1 3.88Å; F71-Y102 HydrophobicContact CE2-CD1 3.88Å; F71-Y102 HydrophobicContact CE2-CE1 4.47Å; F71-Y102 HydrophobicContact CE2-CG 4.03Å; F71-G117 CarbonylContact O-C 3.56Å; F71-G117 VanDerWaalsContact O-CA 3.29Å; F71-G117 WeakPolarHBondContact O-CA 3.44Å; F71-C118 HydrophobicContact CB-CB 3.91Å; F71-C118 HydrophobicContact CD1-CB 3.89Å; F71-C118 HydrophobicContact CD2-CB 4.13Å; F71-C118 HydrophobicContact CE1-CB 4.46Å; F71-C118 HydrophobicContact CG-CB 3.7Å; F71-T131 VanDerWaalsContact O-CB 3.23Å; F71-T131 WeakPolarHBondContact O-CB 3.43Å; F71-T131 PolarHBondContact O-OG1 3.36Å
72Q92.8Very high88Confident110 Ų11047 Ų4751%0.51428%0.276SS..SBendtrans59.424.4-169.8-50.7-178.617.900113.2N69 L74 G75 T131N69-Q72 PolarHBondContact O-N 3.03Å; N69-Q72 WeakPolarHBondContact OD1-CA 3.42Å; Q72-L74 PolarHBondContact O-N 3.41Å; Q72-G75 PolarHBondContact O-N 3.32Å; Q72-T131 VanDerWaalsContact CD-OG1 3.22Å; Q72-T131 PolarHBondContact OE1-OG1 2.92Å
73Q93.8Very high87.6Confident0 Ų046.5 Ų46.50%028%0.275CS..THydrogen-bonded Turntrans-67.8-12.1-177.970.4-90.438.500113.5H53 C68 N69 F71 G75 Y102 N104 W116H53-Q73 HydrophobicContact CB-CG 4.41Å; C68-Q73 WeakPolarHBondContact O-CG 3.43Å; C68-Q73 PolarHBondContact O-NE2 3.4Å; N69-Q73 VanDerWaalsContact CA-OE1 3.32Å; N69-Q73 PolarHBondContact OD1-N 2.99Å; F71-Q73 PolarHBondContact O-N 3.31Å; Q73-G75 VanDerWaalsContact C-N 3.26Å; Q73-Y102 WeakPolarHBondContact CB-O 3.34Å; Q73-N104 PolarHBondContact O-ND2 3.2Å; Q73-W116 PolarHBondContact O-NE1 3.33Å
74L93.7Very high87.4Confident0 Ų046.6 Ų46.60%028%0.276CS..THydrogen-bonded Turntrans-77.2-14.1168.4-55.4-175000112.3H53 S65 C66 C68 N69 Q72 H76 V86H53-L74 HydrophobicContact CB-CD2 4.09Å; S65-L74 PolarHBondContact OG-O 2.92Å; C66-L74 VanDerWaalsContact C-CD2 3.49Å; C66-L74 WeakPolarHBondContact O-CD2 3.35Å; C68-L74 WeakPolarHBondContact O-CD2 3.47Å; C68-L74 WeakPolarHBondContact O-CG 3.45Å; N69-L74 HydrophobicContact CB-CB 4.43Å; N69-L74 HydrophobicContact CB-CD1 3.65Å; N69-L74 HydrophobicContact CB-CG 3.72Å; N69-L74 VanDerWaalsContact OD1-CB 3.29Å; N69-L74 WeakPolarHBondContact OD1-CB 3.23Å; N69-L74 WeakPolarHBondContact OD1-CG 3.42Å; N69-L74 PolarHBondContact OD1-N 3.01Å; Q72-L74 PolarHBondContact O-N 3.41Å; L74-H76 PolarHBondContact O-CD2 3.35Å; L74-H76 PolarHBondContact O-N 3.02Å; L74-V86 WeakPolarHBondContact O-CG2 2.99Å
75G92.6Very high87.3Confident19 Ų1946.7 Ų46.720%0.19628%0.277CS..SBendtrans66.38.1179.900000114.5Q72 Q73Q72-G75 PolarHBondContact O-N 3.32Å; Q73-G75 VanDerWaalsContact C-N 3.26Å
76H89.9Confident87.3Confident25 Ų2546.7 Ų46.712%0.11628%0.277CS..SBendtrans-138.9157.3174.758.867.3000111S65 N69 L74 Q78S65-H76 PolarHBondContact O-NE2 2.95Å; S65-H76 PolarHBondContact OG-CD2 3.22Å; S65-H76 VanDerWaalsContact OG-CD2 3.24Å; S65-H76 PolarHBondContact OG-NE2 3.02Å; N69-H76 PolarHBondContact ND2-O 3.14Å; N69-H76 VanDerWaalsContact ND2-O 3.12Å; L74-H76 PolarHBondContact O-CD2 3.35Å; L74-H76 PolarHBondContact O-N 3.02Å; H76-Q78 VanDerWaalsContact C-N 3.33Å; H76-Q78 PolarHBondContact ND1-N 3.32Å; H76-Q78 PolarHBondContact O-N 3.46Å
77G82.1Confident87.4Confident84 Ų8451 Ų5187%0.86630%0.303SS*.SBendtrans-84.13.6-178.100000115.7
78Q79.8Confident87.5Confident96 Ų9653.6 Ų53.645%0.44932%0.324SS..SBendtrans-71.4153.2177.3-55.4-168.92.200111.9H76 A84H76-Q78 VanDerWaalsContact C-N 3.33Å; H76-Q78 PolarHBondContact ND1-N 3.32Å; H76-Q78 PolarHBondContact O-N 3.46Å; Q78-A84 HydrophobicContact CB-CB 4.47Å; Q78-A84 VanDerWaalsContact CD-CB 3.43Å; Q78-A84 HydrophobicContact CG-CB 4.25Å
79S72.9Confident87.7Confident103 Ų10353.6 Ų53.672%0.7232%0.324SS*.PPolyproline II helixtrans-59.8146.5177.9-530000112.1
80G69.3Low87.6Confident46 Ų4656.1 Ų56.147%0.47433%0.334SS..THydrogen-bonded Turntrans-54.4148.4173.700000112.7G67G67-G80 WeakPolarHBondContact O-CA 3.26Å
81G72.4Confident87.7Confident19 Ų1956.8 Ų56.820%0.19634%0.337CS..THydrogen-bonded Turntrans88.8-16.3177.500000117.7E17 G67E17-G81 PolarHBondContact O-N 3.08Å; G67-G81 PolarHBondContact O-N 2.68Å
82Q78.7Confident87.8Confident126 Ų12658.4 Ų58.459%0.58934%0.342SS*.SBendtrans-94.3133169-170.6167.9500110.6A84Q82-A84 PolarHBondContact O-N 2.94Å
83L86.4Confident87.8Confident41 Ų4160.9 Ų60.922%0.21535%0.347CS..  trans-68.7124.6172.7-175.767.6000110.4T21 L41 F56 C66T21-L83 HydrophobicContact CG2-CB 4.16Å; T21-L83 HydrophobicContact CG2-CD1 4.02Å; T21-L83 HydrophobicContact CG2-CD2 4.16Å; T21-L83 HydrophobicContact CG2-CG 4.36Å; L41-L83 HydrophobicContact CD1-CD2 3.36Å; L41-L83 HydrophobicContact CD2-CD2 3.67Å; L41-L83 HydrophobicContact CG-CD2 3.71Å; F56-L83 HydrophobicContact CD2-CD1 3.47Å; F56-L83 VanDerWaalsContact CD2-CD1 3.47Å; F56-L83 HydrophobicContact CE2-CD1 3.53Å; F56-L83 HydrophobicContact CG-CD1 4.43Å; C66-L83 HydrophobicContact CB-CB 4.33Å; C66-L83 HydrophobicContact CB-CD1 4.09Å
84A90.3Very high88Confident5 Ų561 Ų614%0.04135%0.347CS..EExtended strand (participates in β ladder)trans-141156.117900000113Y64 S65 Q78 Q82Y64-A84 CarbonylContact C-O 3.57Å; Y64-A84 WeakPolarHBondContact CA-O 3.2Å; S65-A84 PolarHBondContact N-O 2.8Å; S65-A84 PolarHBondContact O-N 2.79Å; Q78-A84 HydrophobicContact CB-CB 4.47Å; Q78-A84 VanDerWaalsContact CD-CB 3.43Å; Q78-A84 HydrophobicContact CG-CB 4.25Å; Q82-A84 PolarHBondContact O-N 2.94Å
85K91.9Very high88Confident38 Ų3862.2 Ų62.217%0.16535%0.354CS..EExtended strand (participates in β ladder)trans-74.2136179.1-169.4175.2177178.50110.5E62 Y64 V87 E90E62-K85 WeakPolarHBondContact OE1-CE 3.36Å; E62-K85 IonicContact OE1-NZ 2.8Å; E62-K85 PolarHBondContact OE1-NZ 3.46Å; Y64-K85 HydrophobicContact CD1-CB 3.9Å; Y64-K85 HydrophobicContact CE1-CB 3.62Å; Y64-K85 HydrophobicContact CE1-CG 4.13Å; K85-V87 VanDerWaalsContact C-N 3.31Å; K85-V87 PolarHBondContact O-N 3.38Å; K85-E90 IonicContact NZ-OE1 3.21Å; K85-E90 PolarHBondContact NZ-OE1 3.24Å
86V94.9Very high88.2Confident1 Ų161.7 Ų61.71%0.00635%0.347CS..  trans-79.181.9170.7-173.30000108.6V63 L74 A88 L89 V133V63-V86 HydrophobicContact CB-CB 4.28Å; V63-V86 HydrophobicContact CB-CG2 4.32Å; V63-V86 HydrophobicContact CG1-CB 4.29Å; V63-V86 HydrophobicContact CG1-CG2 3.85Å; V63-V86 PolarHBondContact O-N 3.4Å; L74-V86 WeakPolarHBondContact O-CG2 2.99Å; V86-A88 PolarHBondContact O-N 3.03Å; V86-A88 VanDerWaalsContact O-N 3.09Å; V86-L89 HydrophobicContact CG1-CD1 4.13Å; V86-L89 HydrophobicContact CG1-CG 4.15Å; V86-L89 PolarHBondContact O-N 3.12Å; V86-V133 HydrophobicContact CG1-CG2 3.83Å
87V94Very high88.6Confident90 Ų9060.6 Ų60.655%0.54534%0.342SS..G310 helixtrans-55.4-30.7-173.4179.50000112.8K85 L89 E90K85-V87 VanDerWaalsContact C-N 3.31Å; K85-V87 PolarHBondContact O-N 3.38Å; V87-L89 PolarHBondContact O-N 3.49Å; V87-L89 VanDerWaalsContact O-N 3.08Å; V87-E90 WeakPolarHBondContact O-CB 3.47Å; V87-E90 PolarHBondContact O-N 2.9Å
88A94.3Very high89.4Confident54 Ų5457.1 Ų57.145%0.44631%0.305SS..G310 helixtrans-60.1-20.9177.400000114.2V86 V133V86-A88 PolarHBondContact O-N 3.03Å; V86-A88 VanDerWaalsContact O-N 3.09Å; A88-V133 HydrophobicContact CB-CB 3.63Å; A88-V133 HydrophobicContact CB-CG1 3.92Å; A88-V133 HydrophobicContact CB-CG2 3.99Å
89L95.2Very high90.2Very high5 Ų553.2 Ų53.23%0.02629%0.288CS..G310 helixtrans-100.6-1.7176.9-62.3176.8000113.3V63 V86 V87 H91 Y92 I94 A106 F114 W116 V133V63-L89 HydrophobicContact CB-CD1 4.13Å; V63-L89 HydrophobicContact CG1-CD1 4.44Å; V63-L89 HydrophobicContact CG2-CD1 3.93Å; V86-L89 HydrophobicContact CG1-CD1 4.13Å; V86-L89 HydrophobicContact CG1-CG 4.15Å; V86-L89 PolarHBondContact O-N 3.12Å; V87-L89 PolarHBondContact O-N 3.49Å; V87-L89 VanDerWaalsContact O-N 3.08Å; L89-H91 PolarHBondContact O-N 3.44Å; L89-H91 VanDerWaalsContact O-N 3.1Å; L89-Y92 PolarHBondContact O-N 3.03Å; L89-Y92 VanDerWaalsContact O-O 3.12Å; L89-I94 HydrophobicContact CB-CD1 4.44Å; L89-I94 HydrophobicContact CB-CG1 4.38Å; L89-I94 HydrophobicContact CD1-CD1 4.5Å; L89-I94 HydrophobicContact CD1-CG1 4.45Å; L89-I94 HydrophobicContact CD2-CD1 4.42Å; L89-A106 HydrophobicContact CD1-CB 3.7Å; L89-F114 HydrophobicContact CD2-CB 3.9Å; L89-F114 HydrophobicContact CD2-CD1 3.88Å; L89-F114 HydrophobicContact CD2-CD2 4.22Å; L89-F114 HydrophobicContact CD2-CE1 4.48Å; L89-F114 HydrophobicContact CD2-CG 3.73Å; L89-W116 HydrophobicContact CD1-CH2 4.08Å; L89-W116 HydrophobicContact CD1-CZ3 4.07Å; L89-V133 HydrophobicContact CD1-CG1 4.44Å; L89-V133 HydrophobicContact CD2-CG1 3.54Å; L89-V133 HydrophobicContact CG-CG1 3.82Å
90E92.1Very high91.3Very high96 Ų9648.6 Ų48.645%0.44926%0.257SS..THydrogen-bonded Turntrans-58.5-29.3-171.3177.1165.3-136.200114.2K85 V87 Y92K85-E90 IonicContact NZ-OE1 3.21Å; K85-E90 PolarHBondContact NZ-OE1 3.24Å; V87-E90 WeakPolarHBondContact O-CB 3.47Å; V87-E90 PolarHBondContact O-N 2.9Å; E90-Y92 VanDerWaalsContact C-N 3.28Å; E90-Y92 PolarHBondContact O-N 3.45Å
91H92.2Very high92.6Very high168 Ų16846.5 Ų46.578%0.77824%0.235SC*.THydrogen-bonded Turntrans-84.1-0.3178.9-57.7-45.6000114L89L89-H91 PolarHBondContact O-N 3.44Å; L89-H91 VanDerWaalsContact O-N 3.1Å
92Y94.5Very high93.7Very high100 Ų10049.1 Ų49.139%0.39224%0.24SC..SBendtrans-119135.8-179.2-59.1-83.6000110.5L89 E90 I94 T108 F114L89-Y92 PolarHBondContact O-N 3.03Å; L89-Y92 VanDerWaalsContact O-O 3.12Å; E90-Y92 VanDerWaalsContact C-N 3.28Å; E90-Y92 PolarHBondContact O-N 3.45Å; Y92-I94 PolarHBondContact O-N 3.44Å; Y92-T108 HydrophobicContact CD1-CG2 4.02Å; Y92-T108 HydrophobicContact CG-CG2 4.07Å; Y92-F114 HydrophobicContact CD1-CE2 4.4Å; Y92-F114 HydrophobicContact CD1-CZ 4.4Å; Y92-F114 HydrophobicContact CD2-CE2 4.46Å; Y92-F114 HydrophobicContact CD2-CZ 4.1Å; Y92-F114 HydrophobicContact CE1-CE2 4.37Å; Y92-F114 HydrophobicContact CE1-CZ 4Å; Y92-F114 HydrophobicContact CE2-CE1 4.15Å; Y92-F114 HydrophobicContact CE2-CE2 4.44Å; Y92-F114 AromaticContact CE2-CZ 3.68Å; Y92-F114 HydrophobicContact CE2-CZ 3.68Å; Y92-F114 HydrophobicContact CG-CE2 4.44Å; Y92-F114 HydrophobicContact CG-CZ 4.44Å; Y92-F114 AromaticContact CZ-CZ 3.63Å
93R93.6Very high94.6Very high162 Ų16243.1 Ų43.161%0.61121%0.212SC*.  trans-77.7108.1169.4-173.6174.1-174.2160.94.2109.3T108 Y109R93-T108 CarbonylContact O-C 3.52Å; R93-T108 WeakPolarHBondContact O-CA 3.16Å; R93-Y109 PolarHBondContact O-N 2.98Å
94I96.7Very high95.2Very high3 Ų341.2 Ų41.22%0.01520%0.202CC..EExtended strand (participates in β ladder)trans-84.1138.7178.6-53.8-51.2000110.2L57 G61 V63 L89 Y92 S96 V97 A106 I107 T108L57-I94 HydrophobicContact CD1-CB 3.76Å; L57-I94 HydrophobicContact CD1-CG2 3.71Å; L57-I94 HydrophobicContact CD2-CG2 4.43Å; G61-I94 VanDerWaalsContact CA-O 3.27Å; G61-I94 WeakPolarHBondContact CA-O 3.47Å; G61-I94 VanDerWaalsContact O-CB 3.32Å; G61-I94 WeakPolarHBondContact O-CB 3.47Å; G61-I94 WeakPolarHBondContact O-CG1 3.41Å; G61-I94 PolarHBondContact O-N 3.3Å; G61-I94 VanDerWaalsContact O-N 3.08Å; V63-I94 HydrophobicContact CG2-CB 3.92Å; V63-I94 HydrophobicContact CG2-CG1 3.68Å; V63-I94 HydrophobicContact CG2-CG2 3.86Å; L89-I94 HydrophobicContact CB-CD1 4.44Å; L89-I94 HydrophobicContact CB-CG1 4.38Å; L89-I94 HydrophobicContact CD1-CD1 4.5Å; L89-I94 HydrophobicContact CD1-CG1 4.45Å; L89-I94 HydrophobicContact CD2-CD1 4.42Å; Y92-I94 PolarHBondContact O-N 3.44Å; I94-S96 WeakPolarHBondContact CG2-O 3.32Å; I94-V97 HydrophobicContact CG2-CG1 3.93Å; I94-A106 HydrophobicContact CD1-CB 4.25Å; I94-A106 HydrophobicContact CG2-CB 4.02Å; I94-I107 WeakPolarHBondContact CA-O 3.27Å; I94-I107 WeakPolarHBondContact CG2-O 3.47Å; I94-T108 HydrophobicContact CD1-CG2 3.82Å
95I94.9Very high95.6Very high25 Ų2541 Ų4113%0.12820%0.2CC..EExtended strand (participates in β ladder)trans-115.4-15.6179.660.8162.5000113.4I107 Y109 L453 Q454I95-I107 HydrophobicContact CD1-CG2 4.12Å; I95-I107 HydrophobicContact CG1-CB 4.34Å; I95-I107 HydrophobicContact CG1-CG2 4.06Å; I95-I107 WeakPolarHBondContact CG1-O 3.39Å; I95-I107 PolarHBondContact N-O 2.7Å; I95-Y109 HydrophobicContact CG2-CD2 4.06Å; I95-Y109 HydrophobicContact CG2-CG 4.47Å; I95-L453 HydrophobicContact CD1-CB 3.65Å; I95-L453 HydrophobicContact CD1-CD1 4.25Å; I95-L453 HydrophobicContact CG2-CD1 4.14Å; I95-Q454 PolarHBondContact O-NE2 3.48Å; I95-Q454 VanDerWaalsContact O-NE2 3.17Å
96S97Very high95.9Very high8 Ų839.1 Ų39.16%0.05619%0.192CC..EExtended strand (participates in β ladder)trans-159.6147.4177.9-169.10000110.4Q46 I94 A106 I107Q46-S96 PolarHBondContact OE1-OG 3.09Å; I94-S96 WeakPolarHBondContact CG2-O 3.32Å; S96-A106 WeakPolarHBondContact O-CA 3.12Å; S96-I107 PolarHBondContact O-N 3.41Å
97V97.9Very high96.1Very high2 Ų239.1 Ų39.11%0.01219%0.192CC..EExtended strand (participates in β ladder)trans-128.9153.4174-70.60000109.7Q46 T48 V55 L57 V63 I94 A105 A106Q46-V97 HydrophobicContact CG-CG2 4.29Å; Q46-V97 PolarHBondContact NE2-O 3.41Å; T48-V97 HydrophobicContact CG2-CB 3.96Å; T48-V97 HydrophobicContact CG2-CG2 3.54Å; V55-V97 HydrophobicContact CG1-CB 4.21Å; V55-V97 HydrophobicContact CG1-CG1 4.22Å; V55-V97 HydrophobicContact CG1-CG2 4.37Å; L57-V97 HydrophobicContact CB-CG1 4.34Å; L57-V97 HydrophobicContact CB-CG2 3.85Å; L57-V97 HydrophobicContact CD2-CG2 4.49Å; V63-V97 HydrophobicContact CG1-CG1 4.23Å; V63-V97 HydrophobicContact CG2-CG1 3.88Å; I94-V97 HydrophobicContact CG2-CG1 3.93Å; V97-A105 CarbonylContact C-O 3.6Å; V97-A105 VanDerWaalsContact CA-O 3.29Å; V97-A105 WeakPolarHBondContact CA-O 3.19Å; V97-A106 HydrophobicContact CG1-CB 4.25Å
98A97.7Very high96.2Very high11 Ų1135 Ų359%0.09117%0.167CC..EExtended strand (participates in β ladder)trans-142.2145.3171.500000110.7N104 A105 V147 L149A98-N104 CarbonylContact O-C 3.6Å; A98-N104 VanDerWaalsContact O-CA 3.3Å; A98-N104 WeakPolarHBondContact O-CA 3.44Å; A98-A105 PolarHBondContact N-O 3.01Å; A98-A105 PolarHBondContact O-N 3.01Å; A98-V147 HydrophobicContact CB-CG1 3.81Å; A98-L149 HydrophobicContact CB-CD1 4.15Å; A98-L149 HydrophobicContact CB-CG 4.04Å; A98-L149 VanDerWaalsContact O-CD1 3.25Å; A98-L149 WeakPolarHBondContact O-CD1 3.46Å
99C97.1Very high96.2Very high15 Ų1537.9 Ų37.910%0.10117%0.167CC..EExtended strand (participates in β ladder)trans-111.1137.3170.9-72.70000110.8T48 C49 N104T48-C99 VanDerWaalsContact C-SG 3.6Å; T48-C99 HydrophobicContact CG2-CB 4.34Å; T48-C99 VanDerWaalsContact CG2-SG 3.58Å; T48-C99 PolarHBondContact O-SG 3.48Å; T48-C99 VanDerWaalsContact O-SG 3.35Å; T48-C99 PolarHBondContact OG1-N 3.44Å; C49-C99 VanDerWaalsContact C-CB 3.42Å; C99-N104 PolarHBondContact SG-OD1 3.33Å
100G96.3Very high96Very high6 Ų643.2 Ų43.26%0.06220%0.196CC..  trans-96.6-158.4158.500000109.9G50 H103 L149 G150G50-G100 WeakPolarHBondContact CA-O 3.45Å; G100-H103 PolarHBondContact N-O 2.8Å; G100-L149 VanDerWaalsContact CA-CB 3.45Å; G100-L149 VanDerWaalsContact N-CB 3.34Å; G100-G150 VanDerWaalsContact CA-O 3.25Å; G100-G150 WeakPolarHBondContact CA-O 3.48Å
101A96.1Very high96.1Very high2 Ų238.8 Ų38.82%0.01718%0.175CC..SBendtrans-64-47176.500000112.3Y51 G150 V151Y51-A101 HydrophobicContact CD1-CB 3.77Å; Y51-A101 HydrophobicContact CD2-CB 3.8Å; Y51-A101 HydrophobicContact CE1-CB 3.69Å; Y51-A101 HydrophobicContact CE2-CB 3.75Å; Y51-A101 HydrophobicContact CG-CB 3.83Å; Y51-A101 PolarHBondContact N-O 3.34Å; A101-G150 PolarHBondContact N-O 3.45Å; A101-V151 HydrophobicContact CB-CB 4.2Å; A101-V151 HydrophobicContact CB-CG1 3.79Å; A101-V151 HydrophobicContact CB-CG2 4.48Å
102Y96.7Very high96.4Very high73 Ų7332.9 Ų32.929%0.28615%0.149SC..SBendtrans-136.57.7-171.3-51.7-70.9000113.9Y51 F71 Q73 C118 V151Y51-Y102 HydrophobicContact CD2-CE1 4.4Å; Y51-Y102 HydrophobicContact CD2-CE2 4.48Å; Y51-Y102 AromaticContact CD2-CZ 3.97Å; F71-Y102 HydrophobicContact CD2-CD1 4.13Å; F71-Y102 HydrophobicContact CD2-CG 4.18Å; F71-Y102 AromaticContact CE2-CD1 3.88Å; F71-Y102 HydrophobicContact CE2-CD1 3.88Å; F71-Y102 HydrophobicContact CE2-CE1 4.47Å; F71-Y102 HydrophobicContact CE2-CG 4.03Å; Q73-Y102 WeakPolarHBondContact CB-O 3.34Å; Y102-C118 PolarHBondContact O-N 3.38Å; Y102-V151 HydrophobicContact CE2-CG1 4.42Å
103H97.8Very high96.6Very high0 Ų028.2 Ų28.20%013%0.131CC..EExtended strand (participates in β ladder)trans-138.8165.2-179.570.1-62000111.3G100 W116 Q123 L124 G150 T154G100-H103 PolarHBondContact N-O 2.8Å; H103-W116 CarbonylContact C-O 3.55Å; H103-W116 VanDerWaalsContact CA-O 3.31Å; H103-W116 WeakPolarHBondContact CA-O 3.47Å; H103-W116 WeakPolarHBondContact CB-O 3.22Å; H103-Q123 HydrophobicContact CB-CG 4.45Å; H103-L124 HydrophobicContact CB-CD2 3.71Å; H103-G150 PolarHBondContact CE1-O 2.99Å; H103-T154 PolarHBondContact NE2-OG1 3.47Å
104N98.4Very high96.8Very high1 Ų121.1 Ų21.11%0.00511%0.105CC..EExtended strand (participates in β ladder)trans-138.7161.5-174.5-52.6-74.2000111.3H53 Q73 A98 C99 T115 W116H53-N104 PolarHBondContact NE2-OD1 3.41Å; Q73-N104 PolarHBondContact O-ND2 3.2Å; A98-N104 CarbonylContact O-C 3.6Å; A98-N104 VanDerWaalsContact O-CA 3.3Å; A98-N104 WeakPolarHBondContact O-CA 3.44Å; C99-N104 PolarHBondContact SG-OD1 3.33Å; N104-T115 VanDerWaalsContact O-CA 3.26Å; N104-T115 WeakPolarHBondContact O-CA 3.5Å; N104-W116 HydrophobicContact CB-CD2 3.79Å; N104-W116 VanDerWaalsContact CB-CE2 3.41Å; N104-W116 HydrophobicContact CB-CE3 4.11Å; N104-W116 HydrophobicContact CB-CG 4.46Å; N104-W116 HydrophobicContact CB-CH2 3.71Å; N104-W116 HydrophobicContact CB-CZ2 3.38Å; N104-W116 HydrophobicContact CB-CZ3 4.07Å; N104-W116 PolarHBondContact N-O 3.25Å; N104-W116 PolarHBondContact ND2-NE1 3.18Å; N104-W116 PolarHBondContact O-N 3.09Å; N104-W116 VanDerWaalsContact O-N 3.14Å
105A98.4Very high96.9Very high0 Ų021 Ų210%010%0.104CC..EExtended strand (participates in β ladder)trans-138147.8172.800000111.2V97 A98 L113 F114 T115 V147 L149V97-A105 CarbonylContact C-O 3.6Å; V97-A105 VanDerWaalsContact CA-O 3.29Å; V97-A105 WeakPolarHBondContact CA-O 3.19Å; A98-A105 PolarHBondContact N-O 3.01Å; A98-A105 PolarHBondContact O-N 3.01Å; A105-L113 HydrophobicContact CB-CD1 3.99Å; A105-F114 CarbonylContact C-O 3.6Å; A105-F114 WeakPolarHBondContact CA-O 3.43Å; A105-T115 HydrophobicContact CB-CG2 4.13Å; A105-V147 HydrophobicContact CB-CB 4.36Å; A105-V147 HydrophobicContact CB-CG1 3.74Å; A105-V147 HydrophobicContact CB-CG2 3.76Å; A105-L149 HydrophobicContact CB-CD1 3.97Å; A105-L149 HydrophobicContact CB-CD2 4.16Å; A105-L149 HydrophobicContact CB-CG 4.47Å
106A98.5Very high97.1Very high0 Ų019.8 Ų19.80%010%0.098CC..EExtended strand (participates in β ladder)trans-132.3136171.800000109.9L89 I94 S96 V97 F114 W116L89-A106 HydrophobicContact CD1-CB 3.7Å; I94-A106 HydrophobicContact CD1-CB 4.25Å; I94-A106 HydrophobicContact CG2-CB 4.02Å; S96-A106 WeakPolarHBondContact O-CA 3.12Å; V97-A106 HydrophobicContact CG1-CB 4.25Å; A106-F114 PolarHBondContact N-O 2.71Å; A106-F114 PolarHBondContact O-N 3.3Å; A106-W116 HydrophobicContact CB-CH2 4.05Å; A106-W116 HydrophobicContact CB-CZ3 3.78Å
107I98.3Very high97.1Very high0 Ų019.4 Ų19.40%010%0.095CC..EExtended strand (participates in β ladder)trans-107.6124.7176.5-58.6168.7000108.2I94 I95 S96 L112 L113 V144 V147I94-I107 WeakPolarHBondContact CA-O 3.27Å; I94-I107 WeakPolarHBondContact CG2-O 3.47Å; I95-I107 HydrophobicContact CD1-CG2 4.12Å; I95-I107 HydrophobicContact CG1-CB 4.34Å; I95-I107 HydrophobicContact CG1-CG2 4.06Å; I95-I107 WeakPolarHBondContact CG1-O 3.39Å; I95-I107 PolarHBondContact N-O 2.7Å; S96-I107 PolarHBondContact O-N 3.41Å; I107-L112 WeakPolarHBondContact CA-O 3.4Å; I107-L113 HydrophobicContact CG1-CD1 4.07Å; I107-V144 HydrophobicContact CD1-CG1 3.78Å; I107-V144 HydrophobicContact CG1-CG1 4Å; I107-V144 WeakPolarHBondContact CG2-O 3.39Å; I107-V147 HydrophobicContact CD1-CB 4.12Å; I107-V147 HydrophobicContact CD1-CG1 3.7Å; I107-V147 HydrophobicContact CG1-CG1 4Å
108T97.2Very high97Very high4 Ų419.6 Ų19.63%0.02510%0.097CC..EExtended strand (participates in β ladder)trans-78.3161.2175.1680000111.6Y92 R93 I94 N110 G111 L112 F114Y92-T108 HydrophobicContact CD1-CG2 4.02Å; Y92-T108 HydrophobicContact CG-CG2 4.07Å; R93-T108 CarbonylContact O-C 3.52Å; R93-T108 WeakPolarHBondContact O-CA 3.16Å; I94-T108 HydrophobicContact CD1-CG2 3.82Å; T108-N110 PolarHBondContact O-N 2.98Å; T108-N110 VanDerWaalsContact O-N 3.12Å; T108-G111 WeakPolarHBondContact O-CA 3.42Å; T108-G111 PolarHBondContact O-N 3.43Å; T108-G111 PolarHBondContact OG1-N 3.49Å; T108-L112 HydrophobicContact CG2-CB 4.12Å; T108-L112 PolarHBondContact N-O 2.98Å; T108-L112 WeakPolarHBondContact OG1-CB 3.5Å; T108-L112 PolarHBondContact OG1-N 3.21Å; T108-L112 PolarHBondContact OG1-O 3.4Å; T108-F114 HydrophobicContact CG2-CD2 3.84Å; T108-F114 HydrophobicContact CG2-CE2 3.58Å
109Y93.1Very high97Very high114 Ų11419.6 Ų19.645%0.44710%0.095SC..THydrogen-bonded Turntrans-53.5-31.4174.1177.8-92.4000113.6R93 I95 G111 L453R93-Y109 PolarHBondContact O-N 2.98Å; I95-Y109 HydrophobicContact CG2-CD2 4.06Å; I95-Y109 HydrophobicContact CG2-CG 4.47Å; Y109-G111 VanDerWaalsContact C-N 3.29Å; Y109-G111 PolarHBondContact O-N 2.94Å; Y109-L453 HydrophobicContact CD2-CD1 3.55Å; Y109-L453 HydrophobicContact CE2-CD1 3.54Å
110N91.2Very high96.9Very high118 Ų11823.2 Ų23.263%0.63112%0.12SC*.THydrogen-bonded Turntrans-850.6177.4-67.2-18.1000113.4T108T108-N110 PolarHBondContact O-N 2.98Å; T108-N110 VanDerWaalsContact O-N 3.12Å
111G95.3Very high96.9Very high2 Ų224.5 Ų24.52%0.02113%0.126CC..  trans82.814.6178.200000115.4T108 Y109 V144T108-G111 WeakPolarHBondContact O-CA 3.42Å; T108-G111 PolarHBondContact O-N 3.43Å; T108-G111 PolarHBondContact OG1-N 3.49Å; Y109-G111 VanDerWaalsContact C-N 3.29Å; Y109-G111 PolarHBondContact O-N 2.94Å; G111-V144 WeakPolarHBondContact CA-O 3.17Å; G111-V144 WeakPolarHBondContact O-CB 3.32Å; G111-V144 PolarHBondContact O-N 3.2Å
112L98.1Very high96.9Very high44 Ų4424.7 Ų24.723%0.2313%0.128CC..  trans-74.1139.9169.1-58176.8000110.8I107 T108 F114 L135I107-L112 WeakPolarHBondContact CA-O 3.4Å; T108-L112 HydrophobicContact CG2-CB 4.12Å; T108-L112 PolarHBondContact N-O 2.98Å; T108-L112 WeakPolarHBondContact OG1-CB 3.5Å; T108-L112 PolarHBondContact OG1-N 3.21Å; T108-L112 PolarHBondContact OG1-O 3.4Å; L112-F114 HydrophobicContact CB-CE2 4.1Å; L112-L135 HydrophobicContact CB-CD1 3.8Å; L112-L135 HydrophobicContact CD1-CD1 4.46Å; L112-L135 HydrophobicContact CD2-CD1 4.22Å; L112-L135 HydrophobicContact CG-CD1 4.39Å
113L98.5Very high96.9Very high3 Ų321.2 Ų21.22%0.01612%0.115CC..EExtended strand (participates in β ladder)trans-104.7121.8179.6178.966.6000111.6A105 I107 T115 L135 V136 L139 V144 V147 V156 F166A105-L113 HydrophobicContact CB-CD1 3.99Å; I107-L113 HydrophobicContact CG1-CD1 4.07Å; L113-T115 HydrophobicContact CD2-CG2 4.49Å; L113-T115 HydrophobicContact CG-CG2 4.25Å; L113-L135 WeakPolarHBondContact O-CD1 3.46Å; L113-V136 HydrophobicContact CD2-CB 4.31Å; L113-V136 HydrophobicContact CD2-CG2 4Å; L113-V136 HydrophobicContact CG-CB 4.47Å; L113-V136 HydrophobicContact CG-CG2 4.03Å; L113-V136 PolarHBondContact O-N 3.45Å; L113-L139 HydrophobicContact CD2-CD1 4Å; L113-V144 HydrophobicContact CB-CB 4.45Å; L113-V144 HydrophobicContact CB-CG2 4.09Å; L113-V147 HydrophobicContact CD1-CB 4.16Å; L113-V147 HydrophobicContact CD1-CG1 4.31Å; L113-V147 HydrophobicContact CD1-CG2 4.16Å; L113-V156 HydrophobicContact CD2-CG1 4.27Å; L113-V156 HydrophobicContact CD2-CG2 3.58Å; L113-F166 HydrophobicContact CD2-CZ 4.42Å
114F98.5Very high96.9Very high12 Ų1221.2 Ų21.25%0.05312%0.115CC..EExtended strand (participates in β ladder)trans-107.2141.8171.6-71.7-101.6000110.2L89 Y92 A105 A106 T108 L112 V133 K134 L135L89-F114 HydrophobicContact CD2-CB 3.9Å; L89-F114 HydrophobicContact CD2-CD1 3.88Å; L89-F114 HydrophobicContact CD2-CD2 4.22Å; L89-F114 HydrophobicContact CD2-CE1 4.48Å; L89-F114 HydrophobicContact CD2-CG 3.73Å; Y92-F114 HydrophobicContact CD1-CE2 4.4Å; Y92-F114 HydrophobicContact CD1-CZ 4.4Å; Y92-F114 HydrophobicContact CD2-CE2 4.46Å; Y92-F114 HydrophobicContact CD2-CZ 4.1Å; Y92-F114 HydrophobicContact CE1-CE2 4.37Å; Y92-F114 HydrophobicContact CE1-CZ 4Å; Y92-F114 HydrophobicContact CE2-CE1 4.15Å; Y92-F114 HydrophobicContact CE2-CE2 4.44Å; Y92-F114 AromaticContact CE2-CZ 3.68Å; Y92-F114 HydrophobicContact CE2-CZ 3.68Å; Y92-F114 HydrophobicContact CG-CE2 4.44Å; Y92-F114 HydrophobicContact CG-CZ 4.44Å; Y92-F114 AromaticContact CZ-CZ 3.63Å; A105-F114 CarbonylContact C-O 3.6Å; A105-F114 WeakPolarHBondContact CA-O 3.43Å; A106-F114 PolarHBondContact N-O 2.71Å; A106-F114 PolarHBondContact O-N 3.3Å; T108-F114 HydrophobicContact CG2-CD2 3.84Å; T108-F114 HydrophobicContact CG2-CE2 3.58Å; L112-F114 HydrophobicContact CB-CE2 4.1Å; F114-V133 HydrophobicContact CB-CG1 4.43Å; F114-V133 HydrophobicContact CD1-CG1 4.2Å; F114-K134 CarbonylContact C-O 3.56Å; F114-K134 VanDerWaalsContact CA-O 3.29Å; F114-K134 WeakPolarHBondContact CA-O 3.16Å; F114-L135 HydrophobicContact CD1-CB 4.32Å; F114-L135 HydrophobicContact CE1-CB 3.94Å; F114-L135 HydrophobicContact CE2-CD1 4.17Å; F114-L135 HydrophobicContact CZ-CB 4.15Å; F114-L135 HydrophobicContact CZ-CD1 4.31Å
115T98.5Very high96.9Very high0 Ų021.4 Ų21.40%012%0.116CC..EExtended strand (participates in β ladder)trans-137.7144.9178.855.50000111.4N104 A105 L113 L124 R126 G132 K134 V136N104-T115 VanDerWaalsContact O-CA 3.26Å; N104-T115 WeakPolarHBondContact O-CA 3.5Å; A105-T115 HydrophobicContact CB-CG2 4.13Å; L113-T115 HydrophobicContact CD2-CG2 4.49Å; L113-T115 HydrophobicContact CG-CG2 4.25Å; T115-L124 PolarHBondContact OG1-O 2.84Å; T115-R126 PolarHBondContact O-NH1 2.95Å; T115-R126 PolarHBondContact O-NH2 3.48Å; T115-R126 PolarHBondContact OG1-NH1 3.28Å; T115-G132 VanDerWaalsContact O-O 3.12Å; T115-K134 PolarHBondContact N-O 3.12Å; T115-K134 PolarHBondContact O-N 3.02Å; T115-V136 HydrophobicContact CG2-CG2 3.66Å; T115-V136 WeakPolarHBondContact OG1-CG2 3.47Å
116W98.1Very high96.7Very high0 Ų022.8 Ų22.80%012%0.122CC..EExtended strand (participates in β ladder)trans-156.1168.4178.669.3101.5000112.2Q73 L89 H103 N104 A106 L124 T131 G132 V133Q73-W116 PolarHBondContact O-NE1 3.33Å; L89-W116 HydrophobicContact CD1-CH2 4.08Å; L89-W116 HydrophobicContact CD1-CZ3 4.07Å; H103-W116 CarbonylContact C-O 3.55Å; H103-W116 VanDerWaalsContact CA-O 3.31Å; H103-W116 WeakPolarHBondContact CA-O 3.47Å; H103-W116 WeakPolarHBondContact CB-O 3.22Å; N104-W116 HydrophobicContact CB-CD2 3.79Å; N104-W116 VanDerWaalsContact CB-CE2 3.41Å; N104-W116 HydrophobicContact CB-CE3 4.11Å; N104-W116 HydrophobicContact CB-CG 4.46Å; N104-W116 HydrophobicContact CB-CH2 3.71Å; N104-W116 HydrophobicContact CB-CZ2 3.38Å; N104-W116 HydrophobicContact CB-CZ3 4.07Å; N104-W116 PolarHBondContact N-O 3.25Å; N104-W116 PolarHBondContact ND2-NE1 3.18Å; N104-W116 PolarHBondContact O-N 3.09Å; N104-W116 VanDerWaalsContact O-N 3.14Å; A106-W116 HydrophobicContact CB-CH2 4.05Å; A106-W116 HydrophobicContact CB-CZ3 3.78Å; W116-L124 WeakPolarHBondContact O-CD2 3.44Å; W116-T131 WeakPolarHBondContact CA-O 3.39Å; W116-T131 WeakPolarHBondContact CB-O 3.49Å; W116-G132 WeakPolarHBondContact CB-O 3.42Å; W116-V133 HydrophobicContact CB-CB 4.36Å; W116-V133 HydrophobicContact CB-CG2 3.87Å; W116-V133 HydrophobicContact CD2-CG2 3.87Å; W116-V133 HydrophobicContact CE3-CG1 4.25Å; W116-V133 HydrophobicContact CE3-CG2 4.24Å; W116-V133 HydrophobicContact CG-CG2 3.72Å
117G97.2Very high96.5Very high0 Ų029.8 Ų29.80%015%0.154CC..EExtended strand (participates in β ladder)trans100.3-150.2-17400000112.3F71 N119 L124 T131F71-G117 CarbonylContact O-C 3.56Å; F71-G117 VanDerWaalsContact O-CA 3.29Å; F71-G117 WeakPolarHBondContact O-CA 3.44Å; G117-N119 PolarHBondContact O-N 2.78Å; G117-L124 WeakPolarHBondContact O-CD1 3.42Å; G117-T131 PolarHBondContact N-O 2.88Å; G117-T131 VanDerWaalsContact O-CA 3.31Å; G117-T131 WeakPolarHBondContact O-CA 3.5Å; G117-T131 WeakPolarHBondContact O-CB 3.43Å; G117-T131 WeakPolarHBondContact O-CG2 3.5Å
118C96.8Very high96.2Very high7 Ų731.9 Ų31.95%0.04718%0.176CC..  trans-61.5134-176.3-175.80000112.8F71 Y102 S120 Q123 L124F71-C118 HydrophobicContact CB-CB 3.91Å; F71-C118 HydrophobicContact CD1-CB 3.89Å; F71-C118 HydrophobicContact CD2-CB 4.13Å; F71-C118 HydrophobicContact CE1-CB 4.46Å; F71-C118 HydrophobicContact CG-CB 3.7Å; Y102-C118 PolarHBondContact O-N 3.38Å; C118-S120 PolarHBondContact SG-OG 3.27Å; C118-Q123 VanDerWaalsContact O-CG 3.22Å; C118-Q123 WeakPolarHBondContact O-CG 3.4Å; C118-Q123 PolarHBondContact O-NE2 2.84Å; C118-L124 WeakPolarHBondContact O-CD2 3.35Å
119N96.8Very high95.7Very high10 Ų1038.8 Ų38.85%0.05321%0.213CC..  trans-12716.4175.3-155.935.5000114.4G117 N121 G122 Q123 L124 R126 G128G117-N119 PolarHBondContact O-N 2.78Å; N119-N121 PolarHBondContact O-N 3.29Å; N119-G122 PolarHBondContact O-N 3.47Å; N119-G122 WeakPolarHBondContact OD1-CA 3.44Å; N119-Q123 PolarHBondContact OD1-N 2.93Å; N119-L124 HydrophobicContact CB-CB 4.37Å; N119-L124 HydrophobicContact CB-CD1 3.61Å; N119-L124 HydrophobicContact CB-CG 3.71Å; N119-L124 VanDerWaalsContact OD1-CB 3.24Å; N119-L124 WeakPolarHBondContact OD1-CB 3.46Å; N119-L124 WeakPolarHBondContact OD1-CG 3.46Å; N119-L124 PolarHBondContact OD1-N 3.4Å; N119-R126 PolarHBondContact ND2-O 2.79Å; N119-G128 PolarHBondContact ND2-O 3.32Å
120S95.2Very high95.6Very high91 Ų9136.4 Ų36.464%0.63621%0.208SC*.THydrogen-bonded Turntrans-57.2-22.5-174.6-50.90000114.1C118C118-S120 PolarHBondContact SG-OG 3.27Å
121N96Very high95.8Very high33 Ų3332 Ų3218%0.17619%0.185CC..THydrogen-bonded Turntrans-118.721.3177.7-65.2-65.3000112N119 Q123 E152 G167 S168 S183N119-N121 PolarHBondContact O-N 3.29Å; N121-Q123 PolarHBondContact O-N 3.24Å; N121-E152 HydrophobicContact CB-CB 4.36Å; N121-E152 PolarHBondContact ND2-OE1 3.01Å; N121-G167 CarbonylContact O-C 3.57Å; N121-G167 WeakPolarHBondContact O-CA 3.22Å; N121-S168 PolarHBondContact O-N 3.4Å; N121-S183 WeakPolarHBondContact CA-OG 3.37Å; N121-S183 WeakPolarHBondContact CB-OG 3.45Å; N121-S183 WeakPolarHBondContact O-CB 3.3Å; N121-S183 PolarHBondContact O-OG 2.89Å; N121-S183 PolarHBondContact OD1-OG 2.86Å
122G96Very high95.8Very high6 Ų632.6 Ų32.66%0.06219%0.191CC..SBendtrans69.814.4179.600000115.1N119 L124 G125N119-G122 PolarHBondContact O-N 3.47Å; N119-G122 WeakPolarHBondContact OD1-CA 3.44Å; G122-L124 PolarHBondContact O-N 3.31Å; G122-G125 PolarHBondContact O-N 3.33Å
123Q97.1Very high95.8Very high1 Ų131.7 Ų31.71%0.00519%0.188CC..THydrogen-bonded Turntrans-68.2-4.6-175.366.4-94.252.200114.9H103 C118 N119 N121 E152 T154 F166H103-Q123 HydrophobicContact CB-CG 4.45Å; C118-Q123 VanDerWaalsContact O-CG 3.22Å; C118-Q123 WeakPolarHBondContact O-CG 3.4Å; C118-Q123 PolarHBondContact O-NE2 2.84Å; N119-Q123 PolarHBondContact OD1-N 2.93Å; N121-Q123 PolarHBondContact O-N 3.24Å; Q123-E152 WeakPolarHBondContact CB-O 3.43Å; Q123-T154 PolarHBondContact O-OG1 3.44Å; Q123-F166 WeakPolarHBondContact O-CD2 3.35Å; Q123-F166 WeakPolarHBondContact O-CE2 3.49Å
124L98.1Very high95.7Very high0 Ų035.3 Ų35.30%020%0.203CC..THydrogen-bonded Turntrans-89.5-4171-54.4-173000113.6H103 T115 W116 G117 C118 N119 G122 R126 V136 F166H103-L124 HydrophobicContact CB-CD2 3.71Å; T115-L124 PolarHBondContact OG1-O 2.84Å; W116-L124 WeakPolarHBondContact O-CD2 3.44Å; G117-L124 WeakPolarHBondContact O-CD1 3.42Å; C118-L124 WeakPolarHBondContact O-CD2 3.35Å; N119-L124 HydrophobicContact CB-CB 4.37Å; N119-L124 HydrophobicContact CB-CD1 3.61Å; N119-L124 HydrophobicContact CB-CG 3.71Å; N119-L124 VanDerWaalsContact OD1-CB 3.24Å; N119-L124 WeakPolarHBondContact OD1-CB 3.46Å; N119-L124 WeakPolarHBondContact OD1-CG 3.46Å; N119-L124 PolarHBondContact OD1-N 3.4Å; G122-L124 PolarHBondContact O-N 3.31Å; L124-R126 HydrophobicContact CB-CG 4.31Å; L124-V136 WeakPolarHBondContact O-CG2 3.44Å; L124-F166 VanDerWaalsContact C-CE2 3.46Å
125G97.3Very high95.6Very high4 Ų436.9 Ų36.94%0.04121%0.212CC..SBendtrans80.326.8174.500000113.4G122 S185 P187G122-G125 PolarHBondContact O-N 3.33Å; G125-S185 CarbonylContact C-O 3.58Å; G125-S185 WeakPolarHBondContact CA-O 2.9Å; G125-P187 WeakPolarHBondContact O-CD 2.74Å
126R96Very high95.6Very high30 Ų3036.9 Ų36.911%0.11321%0.212CC..SBendtrans-153.9153.8177.959-175.6178.2-104.69.2110.7T115 N119 L124 D130 G132 S185T115-R126 PolarHBondContact O-NH1 2.95Å; T115-R126 PolarHBondContact O-NH2 3.48Å; T115-R126 PolarHBondContact OG1-NH1 3.28Å; N119-R126 PolarHBondContact ND2-O 2.79Å; L124-R126 HydrophobicContact CB-CG 4.31Å; R126-D130 PolarHBondContact NE-O 3.46Å; R126-D130 PolarHBondContact NH2-O 3.27Å; R126-G132 PolarHBondContact NH2-O 2.8Å; R126-S185 PolarHBondContact N-O 3.38Å
127E93.7Very high95.6Very high146 Ų14645.3 Ų45.368%0.68224%0.244SC*.SBendtrans-76.3154.2172.1-64.5-179.4148.700111.6S185 I186E127-S185 VanDerWaalsContact CG-OG 3.3Å; E127-S185 WeakPolarHBondContact CG-OG 3.42Å; E127-I186 HydrophobicContact CG-CG1 4.42Å
128G91.1Very high95.5Very high44 Ų4447.8 Ų47.845%0.45426%0.264SS..SBendtrans90170.4179.600000114.4N119 D130N119-G128 PolarHBondContact ND2-O 3.32Å; G128-D130 VanDerWaalsContact C-N 3.29Å; G128-D130 PolarHBondContact O-N 3.27Å
129D87.4Confident95.6Very high149 Ų14947.6 Ų47.680%0.79726%0.263SS*.SBendtrans-92.517.1-170.7-54.3-39.7000113.5T131D129-T131 PolarHBondContact O-N 3.2Å; D129-T131 VanDerWaalsContact O-N 3.12Å
130D91.6Very high95.5Very high65 Ų6549.9 Ų49.935%0.34828%0.28SS..  trans-76.3103.8-177.1-168.7-29.3000111.6R126 G128 G132 K134R126-D130 PolarHBondContact NE-O 3.46Å; R126-D130 PolarHBondContact NH2-O 3.27Å; G128-D130 VanDerWaalsContact C-N 3.29Å; G128-D130 PolarHBondContact O-N 3.27Å; D130-G132 VanDerWaalsContact C-N 3.35Å; D130-G132 PolarHBondContact OD1-N 2.86Å; D130-K134 WeakPolarHBondContact OD2-CE 3.32Å; D130-K134 IonicContact OD2-NZ 3.03Å; D130-K134 PolarHBondContact OD2-NZ 2.79Å
131T94.9Very high95.5Very high24 Ų2451.5 Ų51.515%0.14728%0.281CS..  trans-86.5-0.3-178.960.20000114.3F71 Q72 W116 G117 D129F71-T131 VanDerWaalsContact O-CB 3.23Å; F71-T131 WeakPolarHBondContact O-CB 3.43Å; F71-T131 PolarHBondContact O-OG1 3.36Å; Q72-T131 VanDerWaalsContact CD-OG1 3.22Å; Q72-T131 PolarHBondContact OE1-OG1 2.92Å; W116-T131 WeakPolarHBondContact CA-O 3.39Å; W116-T131 WeakPolarHBondContact CB-O 3.49Å; G117-T131 PolarHBondContact N-O 2.88Å; G117-T131 VanDerWaalsContact O-CA 3.31Å; G117-T131 WeakPolarHBondContact O-CA 3.5Å; G117-T131 WeakPolarHBondContact O-CB 3.43Å; G117-T131 WeakPolarHBondContact O-CG2 3.5Å; D129-T131 PolarHBondContact O-N 3.2Å; D129-T131 VanDerWaalsContact O-N 3.12Å
132G95.3Very high95.5Very high15 Ų1551.8 Ų51.816%0.15528%0.281CS..SBendtrans-71.6170.1-178.600000114.2T115 W116 R126 D130 K134T115-G132 VanDerWaalsContact O-O 3.12Å; W116-G132 WeakPolarHBondContact CB-O 3.42Å; R126-G132 PolarHBondContact NH2-O 2.8Å; D130-G132 VanDerWaalsContact C-N 3.35Å; D130-G132 PolarHBondContact OD1-N 2.86Å; G132-K134 PolarHBondContact O-N 2.96Å; G132-K134 VanDerWaalsContact O-N 3.13Å
133V97.3Very high95.5Very high26 Ų2654.2 Ų54.216%0.15829%0.29CS..SBendtrans-68.8107.6175-175.10000110.7V86 A88 L89 F114 W116V86-V133 HydrophobicContact CG1-CG2 3.83Å; A88-V133 HydrophobicContact CB-CB 3.63Å; A88-V133 HydrophobicContact CB-CG1 3.92Å; A88-V133 HydrophobicContact CB-CG2 3.99Å; L89-V133 HydrophobicContact CD1-CG1 4.44Å; L89-V133 HydrophobicContact CD2-CG1 3.54Å; L89-V133 HydrophobicContact CG-CG1 3.82Å; F114-V133 HydrophobicContact CB-CG1 4.43Å; F114-V133 HydrophobicContact CD1-CG1 4.2Å; W116-V133 HydrophobicContact CB-CB 4.36Å; W116-V133 HydrophobicContact CB-CG2 3.87Å; W116-V133 HydrophobicContact CD2-CG2 3.87Å; W116-V133 HydrophobicContact CE3-CG1 4.25Å; W116-V133 HydrophobicContact CE3-CG2 4.24Å; W116-V133 HydrophobicContact CG-CG2 3.72Å
134K97.1Very high95.6Very high79 Ų7954.2 Ų54.234%0.34329%0.29SS..EExtended strand (participates in β ladder)trans-139.2149.8-179.4-68.8-168.7167.4-172.40113.2F114 T115 D130 G132F114-K134 CarbonylContact C-O 3.56Å; F114-K134 VanDerWaalsContact CA-O 3.29Å; F114-K134 WeakPolarHBondContact CA-O 3.16Å; T115-K134 PolarHBondContact N-O 3.12Å; T115-K134 PolarHBondContact O-N 3.02Å; D130-K134 WeakPolarHBondContact OD2-CE 3.32Å; D130-K134 IonicContact OD2-NZ 3.03Å; D130-K134 PolarHBondContact OD2-NZ 2.79Å; G132-K134 PolarHBondContact O-N 2.96Å; G132-K134 VanDerWaalsContact O-N 3.13Å
135L97.2Very high95.6Very high44 Ų4454.4 Ų54.423%0.2329%0.291CS..EExtended strand (participates in β ladder)trans-65.9132.4171.117766.7000110.7L112 L113 F114 R137L112-L135 HydrophobicContact CB-CD1 3.8Å; L112-L135 HydrophobicContact CD1-CD1 4.46Å; L112-L135 HydrophobicContact CD2-CD1 4.22Å; L112-L135 HydrophobicContact CG-CD1 4.39Å; L113-L135 WeakPolarHBondContact O-CD1 3.46Å; F114-L135 HydrophobicContact CD1-CB 4.32Å; F114-L135 HydrophobicContact CE1-CB 3.94Å; F114-L135 HydrophobicContact CE2-CD1 4.17Å; F114-L135 HydrophobicContact CZ-CB 4.15Å; F114-L135 HydrophobicContact CZ-CD1 4.31Å; L135-R137 PolarHBondContact O-N 3.05Å
136V97.8Very high95.6Very high0 Ų055.1 Ų55.10%029%0.294CS..  trans-76.486.9169.1-175.20000108.9L113 T115 L124 A138 L139 P187L113-V136 HydrophobicContact CD2-CB 4.31Å; L113-V136 HydrophobicContact CD2-CG2 4Å; L113-V136 HydrophobicContact CG-CB 4.47Å; L113-V136 HydrophobicContact CG-CG2 4.03Å; L113-V136 PolarHBondContact O-N 3.45Å; T115-V136 HydrophobicContact CG2-CG2 3.66Å; T115-V136 WeakPolarHBondContact OG1-CG2 3.47Å; L124-V136 WeakPolarHBondContact O-CG2 3.44Å; V136-A138 PolarHBondContact O-N 3.25Å; V136-L139 HydrophobicContact CG1-CB 4.32Å; V136-L139 HydrophobicContact CG1-CD1 4.04Å; V136-L139 HydrophobicContact CG1-CG 4.15Å; V136-L139 PolarHBondContact O-N 2.91Å; V136-P187 HydrophobicContact CG1-CG 3.73Å
137R97.1Very high95.8Very high178 Ų17854.1 Ų54.167%0.67229%0.291SS*.G310 helixtrans-57.5-35-172.8-67.6-173.6178.285.4-0.4113.7L135 L139 S140L135-R137 PolarHBondContact O-N 3.05Å; R137-L139 PolarHBondContact O-N 3.35Å; R137-L139 VanDerWaalsContact O-N 3.14Å; R137-S140 VanDerWaalsContact O-CB 3.32Å; R137-S140 WeakPolarHBondContact O-CB 3.45Å; R137-S140 PolarHBondContact O-N 3.06Å; R137-S140 PolarHBondContact O-OG 3.36Å
138A96.8Very high96Very high52 Ų5248.1 Ų48.143%0.4327%0.265SS..G310 helixtrans-63.6-15.1178.900000114.2V136 I186 P187V136-A138 PolarHBondContact O-N 3.25Å; A138-I186 HydrophobicContact CB-CG2 4.36Å; A138-P187 HydrophobicContact CB-CG 4.08Å
139L97.4Very high96.3Very high2 Ų246.5 Ų46.51%0.0125%0.246CC..G310 helixtrans-114.811.4176.1-63.7174.3000112.3L113 V136 R137 D141 H142 V156 F164 F166 P187L113-L139 HydrophobicContact CD2-CD1 4Å; V136-L139 HydrophobicContact CG1-CB 4.32Å; V136-L139 HydrophobicContact CG1-CD1 4.04Å; V136-L139 HydrophobicContact CG1-CG 4.15Å; V136-L139 PolarHBondContact O-N 2.91Å; R137-L139 PolarHBondContact O-N 3.35Å; R137-L139 VanDerWaalsContact O-N 3.14Å; L139-D141 VanDerWaalsContact C-N 3.26Å; L139-D141 PolarHBondContact O-N 2.9Å; L139-H142 PolarHBondContact O-N 3.28Å; L139-H142 VanDerWaalsContact O-N 3.09Å; L139-V156 HydrophobicContact CD1-CB 4.26Å; L139-V156 HydrophobicContact CD1-CG1 4.1Å; L139-V156 HydrophobicContact CD1-CG2 4.05Å; L139-F164 HydrophobicContact CD2-CB 4.23Å; L139-F164 HydrophobicContact CD2-CD1 3.62Å; L139-F164 HydrophobicContact CD2-CD2 3.93Å; L139-F164 HydrophobicContact CD2-CE1 3.85Å; L139-F164 HydrophobicContact CD2-CE2 4.16Å; L139-F164 HydrophobicContact CD2-CG 3.66Å; L139-F164 HydrophobicContact CD2-CZ 4.12Å; L139-F166 HydrophobicContact CD1-CE1 4.13Å; L139-P187 HydrophobicContact CD1-CB 3.9Å; L139-P187 HydrophobicContact CD1-CG 3.93Å; L139-P187 HydrophobicContact CD2-CB 3.89Å; L139-P187 HydrophobicContact CG-CB 3.83Å; L139-P187 HydrophobicContact CG-CG 3.92Å
140S95.8Very high96.8Very high59 Ų5939.7 Ų39.741%0.41321%0.211SC..THydrogen-bonded Turntrans-71.8-18.8-174.861.90000114.4R137 H142R137-S140 VanDerWaalsContact O-CB 3.32Å; R137-S140 WeakPolarHBondContact O-CB 3.45Å; R137-S140 PolarHBondContact O-N 3.06Å; R137-S140 PolarHBondContact O-OG 3.36Å; S140-H142 VanDerWaalsContact C-N 3.33Å
141D94.2Very high97.1Very high124 Ų12437.1 Ų37.166%0.66320%0.197SC*.THydrogen-bonded Turntrans-84.8-7.4171.862.9-30.9000113L139L139-D141 VanDerWaalsContact C-N 3.26Å; L139-D141 PolarHBondContact O-N 2.9Å
142H96.3Very high97.2Very high40 Ų4038.4 Ų38.419%0.18520%0.202CC..SBendtrans-108.3140.9177.7-65.979.8000110.6L139 S140 V144 T158 F164L139-H142 PolarHBondContact O-N 3.28Å; L139-H142 VanDerWaalsContact O-N 3.09Å; S140-H142 VanDerWaalsContact C-N 3.33Å; H142-V144 PolarHBondContact O-N 3Å; H142-T158 HydrophobicContact CB-CG2 3.75Å; H142-F164 AromaticContact CD2-CE2 3.92Å; H142-F164 AromaticContact CD2-CZ 3.84Å; H142-F164 AromaticContact CE1-CZ 3.88Å; H142-F164 AromaticContact NE2-CZ 3.55Å
143K96.7Very high97.4Very high57 Ų5737.7 Ų37.725%0.24819%0.194CC..  trans-88103.1172.4-170.1179.9-174.1171.20109.6T158 D159K143-T158 CarbonylContact O-C 3.6Å; K143-T158 VanDerWaalsContact O-CA 3.25Å; K143-T158 WeakPolarHBondContact O-CA 3.47Å; K143-D159 HydrophobicContact CB-CB 4.26Å; K143-D159 HydrophobicContact CD-CB 4.33Å; K143-D159 HydrophobicContact CG-CB 4.41Å; K143-D159 PolarHBondContact O-N 3.5Å
144V98.4Very high97.4Very high1 Ų136.5 Ų36.51%0.00619%0.187CC..EExtended strand (participates in β ladder)trans-75.6132.6178.7177.50000110.4I107 G111 L113 H142 V156I107-V144 HydrophobicContact CD1-CG1 3.78Å; I107-V144 HydrophobicContact CG1-CG1 4Å; I107-V144 WeakPolarHBondContact CG2-O 3.39Å; G111-V144 WeakPolarHBondContact CA-O 3.17Å; G111-V144 WeakPolarHBondContact O-CB 3.32Å; G111-V144 PolarHBondContact O-N 3.2Å; L113-V144 HydrophobicContact CB-CB 4.45Å; L113-V144 HydrophobicContact CB-CG2 4.09Å; H142-V144 PolarHBondContact O-N 3Å; V144-V156 HydrophobicContact CB-CG1 4.16Å; V144-V156 HydrophobicContact CG1-CG1 3.51Å; V144-V156 HydrophobicContact CG2-CG1 3.58Å
145V98Very high97.5Very high3 Ų332.7 Ų32.72%0.01817%0.171CC..EExtended strand (participates in β ladder)trans-115.7-27.3178.1-61.60000112.5L157 D159 L453 Q454V145-L157 HydrophobicContact CG2-CB 4.39Å; V145-L157 HydrophobicContact CG2-CD2 4.14Å; V145-L157 HydrophobicContact CG2-CG 3.91Å; V145-L157 WeakPolarHBondContact CG2-O 3.33Å; V145-L157 PolarHBondContact N-O 3.38Å; V145-D159 HydrophobicContact CG1-CB 3.54Å; V145-L453 WeakPolarHBondContact CB-O 3.3Å; V145-L453 WeakPolarHBondContact CG1-O 3.39Å; V145-Q454 VanDerWaalsContact O-CA 3.27Å; V145-Q454 WeakPolarHBondContact O-CA 3.05Å
146Q98.4Very high97.6Very high20 Ų2030.6 Ų30.69%0.09316%0.16CC..EExtended strand (participates in β ladder)trans-141.7148.8175.8-151.6-163.4-26.800111L157 R200 I201Q146-L157 HydrophobicContact CB-CB 3.89Å; Q146-L157 HydrophobicContact CB-CD2 4.24Å; Q146-L157 PolarHBondContact N-O 3.39Å; Q146-L157 PolarHBondContact O-N 2.98Å; Q146-R200 VanDerWaalsContact OE1-CA 3.31Å; Q146-I201 HydrophobicContact CB-CD1 4.29Å; Q146-I201 HydrophobicContact CB-CG1 4.09Å; Q146-I201 VanDerWaalsContact CD-CG1 3.45Å; Q146-I201 HydrophobicContact CG-CG1 4.07Å; Q146-I201 PolarHBondContact NE2-O 2.76Å
147V98.6Very high97.6Very high9 Ų930.7 Ų30.76%0.05516%0.16CC..EExtended strand (participates in β ladder)trans-136.3143.7169.662.50000108.4A98 A105 I107 L113 L149 T154 L155 V156A98-V147 HydrophobicContact CB-CG1 3.81Å; A105-V147 HydrophobicContact CB-CB 4.36Å; A105-V147 HydrophobicContact CB-CG1 3.74Å; A105-V147 HydrophobicContact CB-CG2 3.76Å; I107-V147 HydrophobicContact CD1-CB 4.12Å; I107-V147 HydrophobicContact CD1-CG1 3.7Å; I107-V147 HydrophobicContact CG1-CG1 4Å; L113-V147 HydrophobicContact CD1-CB 4.16Å; L113-V147 HydrophobicContact CD1-CG1 4.31Å; L113-V147 HydrophobicContact CD1-CG2 4.16Å; V147-L149 HydrophobicContact CG2-CD2 3.7Å; V147-L149 HydrophobicContact CG2-CG 4.48Å; V147-T154 HydrophobicContact CG2-CG2 3.87Å; V147-L155 CarbonylContact C-O 3.59Å; V147-L155 WeakPolarHBondContact CA-O 2.9Å; V147-L155 WeakPolarHBondContact CG2-O 3.27Å; V147-V156 HydrophobicContact CG2-CG2 4.22Å
148S98.4Very high97.7Very high19 Ų1922.2 Ų22.213%0.13313%0.128CC..EExtended strand (participates in β ladder)trans-139.6135.6173.8-169.10000109.3L155 V202 A203S148-L155 PolarHBondContact N-O 3.34Å; S148-L155 PolarHBondContact O-N 3.28Å; S148-V202 WeakPolarHBondContact OG-CA 3.44Å; S148-A203 PolarHBondContact OG-N 3.05Å
149L98.5Very high97.7Very high11 Ų1120.2 Ų20.26%0.05811%0.11CC..EExtended strand (participates in β ladder)trans-120.2128.7-169-53.3-174.7000109.5A98 G100 A105 V147 T154A98-L149 HydrophobicContact CB-CD1 4.15Å; A98-L149 HydrophobicContact CB-CG 4.04Å; A98-L149 VanDerWaalsContact O-CD1 3.25Å; A98-L149 WeakPolarHBondContact O-CD1 3.46Å; G100-L149 VanDerWaalsContact CA-CB 3.45Å; G100-L149 VanDerWaalsContact N-CB 3.34Å; A105-L149 HydrophobicContact CB-CD1 3.97Å; A105-L149 HydrophobicContact CB-CD2 4.16Å; A105-L149 HydrophobicContact CB-CG 4.47Å; V147-L149 HydrophobicContact CG2-CD2 3.7Å; V147-L149 HydrophobicContact CG2-CG 4.48Å; L149-T154 HydrophobicContact CD2-CG2 3.4Å; L149-T154 VanDerWaalsContact CD2-CG2 3.4Å; L149-T154 VanDerWaalsContact CD2-OG1 3.26Å; L149-T154 WeakPolarHBondContact CD2-OG1 3.48Å
150G97.6Very high97.7Very high6 Ų620.5 Ų20.56%0.06211%0.112CC..  trans-91.5-153.7172.500000112.3G100 A101 H103 H153 G204G100-G150 VanDerWaalsContact CA-O 3.25Å; G100-G150 WeakPolarHBondContact CA-O 3.48Å; A101-G150 PolarHBondContact N-O 3.45Å; H103-G150 PolarHBondContact CE1-O 2.99Å; G150-H153 PolarHBondContact N-O 3.4Å; G150-G204 WeakPolarHBondContact CA-O 3.29Å
151V97.5Very high97.8Very high11 Ų1118 Ų187%0.0679%0.094CC..SBendtrans-69.5-47.1173.7-175.10000110.6Y51 A101 Y102 G205 W206Y51-V151 VanDerWaalsContact OH-CG2 3.22Å; Y51-V151 WeakPolarHBondContact OH-CG2 3.47Å; A101-V151 HydrophobicContact CB-CB 4.2Å; A101-V151 HydrophobicContact CB-CG1 3.79Å; A101-V151 HydrophobicContact CB-CG2 4.48Å; Y102-V151 HydrophobicContact CE2-CG1 4.42Å; V151-G205 VanDerWaalsContact CG2-CA 3.43Å; V151-G205 WeakPolarHBondContact CG2-O 3.24Å; V151-G205 PolarHBondContact N-O 2.8Å; V151-G205 VanDerWaalsContact N-O 3.14Å; V151-W206 HydrophobicContact CG2-CZ2 4.34Å
152E97.1Very high98Very high51 Ų5114.7 Ų14.724%0.2387%0.073CC..SBendtrans-137.216.4-170.6-55.3-176.3135.600112.6N121 Q123 G167 S168N121-E152 HydrophobicContact CB-CB 4.36Å; N121-E152 PolarHBondContact ND2-OE1 3.01Å; Q123-E152 WeakPolarHBondContact CB-O 3.43Å; E152-G167 CarbonylContact O-C 3.56Å; E152-G167 WeakPolarHBondContact O-CA 3.45Å; E152-S168 WeakPolarHBondContact O-CB 3.29Å; E152-S168 PolarHBondContact O-N 3.04Å; E152-S168 PolarHBondContact OE2-OG 3.06Å
153H98.3Very high98.1Very high0 Ų013 Ų130%07%0.065CC..EExtended strand (participates in β ladder)trans-143.3164178.773.6-67000112.2G150 F166 Q173 L174 G204 S208G150-H153 PolarHBondContact N-O 3.4Å; H153-F166 CarbonylContact C-O 3.27Å; H153-F166 WeakPolarHBondContact CA-O 3.41Å; H153-Q173 HydrophobicContact CB-CG 4.2Å; H153-L174 HydrophobicContact CB-CD2 3.69Å; H153-G204 PolarHBondContact CE1-O 2.91Å; H153-S208 PolarHBondContact NE2-OG 3.2Å
154T98.8Very high98.2Very high0 Ų010.9 Ų10.90%06%0.056CC..EExtended strand (participates in β ladder)trans-135.7134.2-176.2-63.80000109.6H103 Q123 V147 L149 V156 A165 F166H103-T154 PolarHBondContact NE2-OG1 3.47Å; Q123-T154 PolarHBondContact O-OG1 3.44Å; V147-T154 HydrophobicContact CG2-CG2 3.87Å; L149-T154 HydrophobicContact CD2-CG2 3.4Å; L149-T154 VanDerWaalsContact CD2-CG2 3.4Å; L149-T154 VanDerWaalsContact CD2-OG1 3.26Å; L149-T154 WeakPolarHBondContact CD2-OG1 3.48Å; T154-V156 HydrophobicContact CG2-CG2 4.03Å; T154-A165 VanDerWaalsContact O-CA 3.31Å; T154-A165 WeakPolarHBondContact O-CA 3.47Å; T154-F166 HydrophobicContact CG2-CD2 4.3Å; T154-F166 HydrophobicContact CG2-CE1 3.81Å; T154-F166 HydrophobicContact CG2-CE2 3.49Å; T154-F166 VanDerWaalsContact CG2-CE2 3.49Å; T154-F166 HydrophobicContact CG2-CZ 3.22Å; T154-F166 PolarHBondContact N-O 3.25Å; T154-F166 PolarHBondContact O-N 2.89Å; T154-F166 VanDerWaalsContact O-N 3.1Å
155L98.8Very high98.2Very high0 Ų010.8 Ų10.80%06%0.056CC..EExtended strand (participates in β ladder)trans-111.1141.1170.4-59.6179.1000109.5V147 S148 F164 A165 I201 A203 W220V147-L155 CarbonylContact C-O 3.59Å; V147-L155 WeakPolarHBondContact CA-O 2.9Å; V147-L155 WeakPolarHBondContact CG2-O 3.27Å; S148-L155 PolarHBondContact N-O 3.34Å; S148-L155 PolarHBondContact O-N 3.28Å; L155-F164 CarbonylContact C-O 3.56Å; L155-F164 WeakPolarHBondContact CA-O 3.42Å; L155-A165 HydrophobicContact CD2-CB 3.73Å; L155-I201 HydrophobicContact CB-CB 4.5Å; L155-I201 HydrophobicContact CB-CD1 3.86Å; L155-I201 WeakPolarHBondContact O-CD1 3.07Å; L155-A203 HydrophobicContact CD1-CB 4.1Å; L155-A203 HydrophobicContact CG-CB 4.31Å; L155-W220 HydrophobicContact CD1-CZ2 4.33Å; L155-W220 HydrophobicContact CD2-CZ2 4.26Å
156V98.8Very high98.3Very high0 Ų010.7 Ų10.70%06%0.055CC..EExtended strand (participates in β ladder)trans-132.1135.9179.7-178.70000109.9L113 L139 V144 V147 T154 V163 F164 F166L113-V156 HydrophobicContact CD2-CG1 4.27Å; L113-V156 HydrophobicContact CD2-CG2 3.58Å; L139-V156 HydrophobicContact CD1-CB 4.26Å; L139-V156 HydrophobicContact CD1-CG1 4.1Å; L139-V156 HydrophobicContact CD1-CG2 4.05Å; V144-V156 HydrophobicContact CB-CG1 4.16Å; V144-V156 HydrophobicContact CG1-CG1 3.51Å; V144-V156 HydrophobicContact CG2-CG1 3.58Å; V147-V156 HydrophobicContact CG2-CG2 4.22Å; T154-V156 HydrophobicContact CG2-CG2 4.03Å; V156-V163 CarbonylContact O-C 3.58Å; V156-V163 VanDerWaalsContact O-CA 3.27Å; V156-V163 WeakPolarHBondContact O-CA 3.42Å; V156-F164 HydrophobicContact CB-CB 4.28Å; V156-F164 PolarHBondContact N-O 3.02Å; V156-F164 PolarHBondContact O-N 2.96Å; V156-F166 HydrophobicContact CG2-CE1 3.67Å; V156-F166 HydrophobicContact CG2-CZ 4.08Å
157L98.8Very high98.3Very high1 Ų19.7 Ų9.71%0.0055%0.05CC..EExtended strand (participates in β ladder)trans-115.1133173.5178.763.8000109.3V145 Q146 V163 V198 I201 I456V145-L157 HydrophobicContact CG2-CB 4.39Å; V145-L157 HydrophobicContact CG2-CD2 4.14Å; V145-L157 HydrophobicContact CG2-CG 3.91Å; V145-L157 WeakPolarHBondContact CG2-O 3.33Å; V145-L157 PolarHBondContact N-O 3.38Å; Q146-L157 HydrophobicContact CB-CB 3.89Å; Q146-L157 HydrophobicContact CB-CD2 4.24Å; Q146-L157 PolarHBondContact N-O 3.39Å; Q146-L157 PolarHBondContact O-N 2.98Å; L157-V163 HydrophobicContact CD1-CG2 4Å; L157-V198 HydrophobicContact CD1-CB 3.85Å; L157-V198 HydrophobicContact CD1-CG1 3.78Å; L157-V198 HydrophobicContact CD1-CG2 4.38Å; L157-V198 HydrophobicContact CD2-CB 4.33Å; L157-V198 HydrophobicContact CD2-CG1 3.75Å; L157-V198 HydrophobicContact CG-CG1 4.41Å; L157-I201 HydrophobicContact CB-CD1 3.9Å; L157-I201 HydrophobicContact CB-CG1 4.12Å; L157-I201 HydrophobicContact CB-CG2 4.14Å; L157-I456 HydrophobicContact CD1-CG2 4.22Å; L157-I456 HydrophobicContact CD2-CG2 4.06Å; L157-I456 HydrophobicContact CG-CG2 4.26Å
158T98.5Very high98.2Very high0 Ų09.3 Ų9.30%05%0.048CC..EExtended strand (participates in β ladder)trans-95.7160.2174.762.10000111.6H142 K143 T160 A161 R162 F164H142-T158 HydrophobicContact CB-CG2 3.75Å; K143-T158 CarbonylContact O-C 3.6Å; K143-T158 VanDerWaalsContact O-CA 3.25Å; K143-T158 WeakPolarHBondContact O-CA 3.47Å; T158-T160 PolarHBondContact O-N 2.99Å; T158-T160 VanDerWaalsContact O-N 3.16Å; T158-T160 PolarHBondContact OG1-OG1 2.74Å; T158-A161 PolarHBondContact O-N 3.17Å; T158-R162 HydrophobicContact CG2-CB 4.43Å; T158-R162 PolarHBondContact N-O 3.27Å; T158-R162 WeakPolarHBondContact OG1-CA 3.18Å; T158-R162 VanDerWaalsContact OG1-CB 3.29Å; T158-R162 WeakPolarHBondContact OG1-CB 3.46Å; T158-R162 PolarHBondContact OG1-N 3.47Å; T158-R162 PolarHBondContact OG1-O 3.11Å; T158-R162 VanDerWaalsContact OG1-O 3.07Å; T158-F164 HydrophobicContact CG2-CD2 4.05Å; T158-F164 HydrophobicContact CG2-CE2 3.72Å
159D97.3Very high98.2Very high11 Ų118.4 Ų8.46%0.0594%0.042CC..THydrogen-bonded Turntrans-57.8-25.5175.572.3-28.5000113.2K143 V145 A161 I456 L457 C519K143-D159 HydrophobicContact CB-CB 4.26Å; K143-D159 HydrophobicContact CD-CB 4.33Å; K143-D159 HydrophobicContact CG-CB 4.41Å; K143-D159 PolarHBondContact O-N 3.5Å; V145-D159 HydrophobicContact CG1-CB 3.54Å; D159-A161 VanDerWaalsContact C-N 3.3Å; D159-I456 CarbonylContact O-C 3.52Å; D159-I456 WeakPolarHBondContact O-CA 3.45Å; D159-L457 HydrophobicContact CB-CD1 4.14Å; D159-L457 HydrophobicContact CB-CG 4.03Å; D159-L457 PolarHBondContact O-N 3.46Å; D159-L457 WeakPolarHBondContact OD2-CD1 3.23Å; D159-C519 PolarHBondContact O-SG 2.91Å
160T97.6Very high98.1Very high8 Ų811.8 Ų11.85%0.0496%0.059CC..THydrogen-bonded Turntrans-89.917.9175.650.30000113.5T158 R162 S516T158-T160 PolarHBondContact O-N 2.99Å; T158-T160 VanDerWaalsContact O-N 3.16Å; T158-T160 PolarHBondContact OG1-OG1 2.74Å; T160-R162 VanDerWaalsContact CB-NH1 3.31Å; T160-R162 PolarHBondContact O-N 3.45Å; T160-R162 PolarHBondContact OG1-NH1 3.37Å; T160-S516 VanDerWaalsContact O-CB 3.27Å; T160-S516 WeakPolarHBondContact O-CB 3.35Å; T160-S516 PolarHBondContact O-OG 2.87Å
161A98Very high98Very high5 Ų515 Ų154%0.0417%0.071CC..SBendtrans62.217.7177.500000115.8T158 D159 I456T158-A161 PolarHBondContact O-N 3.17Å; D159-A161 VanDerWaalsContact C-N 3.3Å; A161-I456 HydrophobicContact CB-CB 4.37Å; A161-I456 HydrophobicContact CB-CD1 4.1Å; A161-I456 HydrophobicContact CB-CG2 3.86Å
162R98.1Very high97.9Very high55 Ų5514.4 Ų14.421%0.2087%0.068CC..  trans-81.6135.9170.3-57.3178.2172.986.8-2.2110.1T158 T160 F164T158-R162 HydrophobicContact CG2-CB 4.43Å; T158-R162 PolarHBondContact N-O 3.27Å; T158-R162 WeakPolarHBondContact OG1-CA 3.18Å; T158-R162 VanDerWaalsContact OG1-CB 3.29Å; T158-R162 WeakPolarHBondContact OG1-CB 3.46Å; T158-R162 PolarHBondContact OG1-N 3.47Å; T158-R162 PolarHBondContact OG1-O 3.11Å; T158-R162 VanDerWaalsContact OG1-O 3.07Å; T160-R162 VanDerWaalsContact CB-NH1 3.31Å; T160-R162 PolarHBondContact O-N 3.45Å; T160-R162 PolarHBondContact OG1-NH1 3.37Å; R162-F164 HydrophobicContact CB-CD2 4.46Å; R162-F164 HydrophobicContact CB-CE2 3.76Å; R162-F164 HydrophobicContact CB-CZ 4.46Å
163V98.7Very high97.9Very high4 Ų412 Ų122%0.0246%0.057CC..EExtended strand (participates in β ladder)trans-108.1128.1177.9-174.90000109.6V156 L157 Q189 I190 L193 V198 I201 V210V156-V163 CarbonylContact O-C 3.58Å; V156-V163 VanDerWaalsContact O-CA 3.27Å; V156-V163 WeakPolarHBondContact O-CA 3.42Å; L157-V163 HydrophobicContact CD1-CG2 4Å; V163-Q189 CarbonylContact O-C 3.29Å; V163-Q189 WeakPolarHBondContact O-CA 3.34Å; V163-I190 HydrophobicContact CG1-CD1 3.82Å; V163-I190 HydrophobicContact CG1-CG1 4.39Å; V163-I190 PolarHBondContact O-N 2.86Å; V163-L193 HydrophobicContact CB-CD1 4.37Å; V163-L193 HydrophobicContact CG1-CD1 4.5Å; V163-L193 HydrophobicContact CG2-CD1 4.43Å; V163-V198 HydrophobicContact CG2-CG2 4.1Å; V163-I201 HydrophobicContact CG1-CG2 4.21Å; V163-I201 HydrophobicContact CG2-CG2 4.3Å; V163-V210 HydrophobicContact CG2-CG2 4.16Å
164F98.7Very high97.9Very high13 Ų1312 Ų126%0.0576%0.057CC..EExtended strand (participates in β ladder)trans-115.8150.4175-64.1-101.7000110.6L139 H142 L155 V156 T158 R162 P187 Q188 Q189L139-F164 HydrophobicContact CD2-CB 4.23Å; L139-F164 HydrophobicContact CD2-CD1 3.62Å; L139-F164 HydrophobicContact CD2-CD2 3.93Å; L139-F164 HydrophobicContact CD2-CE1 3.85Å; L139-F164 HydrophobicContact CD2-CE2 4.16Å; L139-F164 HydrophobicContact CD2-CG 3.66Å; L139-F164 HydrophobicContact CD2-CZ 4.12Å; H142-F164 AromaticContact CD2-CE2 3.92Å; H142-F164 AromaticContact CD2-CZ 3.84Å; H142-F164 AromaticContact CE1-CZ 3.88Å; H142-F164 AromaticContact NE2-CZ 3.55Å; L155-F164 CarbonylContact C-O 3.56Å; L155-F164 WeakPolarHBondContact CA-O 3.42Å; V156-F164 HydrophobicContact CB-CB 4.28Å; V156-F164 PolarHBondContact N-O 3.02Å; V156-F164 PolarHBondContact O-N 2.96Å; T158-F164 HydrophobicContact CG2-CD2 4.05Å; T158-F164 HydrophobicContact CG2-CE2 3.72Å; R162-F164 HydrophobicContact CB-CD2 4.46Å; R162-F164 HydrophobicContact CB-CE2 3.76Å; R162-F164 HydrophobicContact CB-CZ 4.46Å; F164-P187 HydrophobicContact CB-CB 4.5Å; F164-P187 HydrophobicContact CD1-CB 4.46Å; F164-Q188 CarbonylContact C-O 3.44Å; F164-Q188 WeakPolarHBondContact CA-O 3.43Å; F164-Q189 HydrophobicContact CD1-CB 3.89Å; F164-Q189 HydrophobicContact CE1-CB 3.67Å; F164-Q189 HydrophobicContact CE1-CG 4.34Å; F164-Q189 HydrophobicContact CZ-CB 4.13Å; F164-Q189 HydrophobicContact CZ-CG 4.32Å
165A98.6Very high97.9Very high0 Ų012.1 Ų12.10%06%0.058CC..EExtended strand (participates in β ladder)trans-137.2147.5175.600000111.5T154 L155 L174 Q188 I190T154-A165 VanDerWaalsContact O-CA 3.31Å; T154-A165 WeakPolarHBondContact O-CA 3.47Å; L155-A165 HydrophobicContact CD2-CB 3.73Å; A165-L174 HydrophobicContact CB-CB 4.01Å; A165-L174 HydrophobicContact CB-CD2 4.07Å; A165-L174 WeakPolarHBondContact CB-O 3.5Å; A165-Q188 PolarHBondContact N-O 3.3Å; A165-Q188 PolarHBondContact O-N 3.02Å; A165-I190 HydrophobicContact CB-CD1 4.05Å; A165-I190 HydrophobicContact CB-CG1 4.17Å
166F98.6Very high97.8Very high0 Ų013.6 Ų13.60%07%0.066CC..EExtended strand (participates in β ladder)trans-157.3157.7173.847.3-86.3000110.5L113 Q123 L124 L139 H153 T154 V156 V184 P187L113-F166 HydrophobicContact CD2-CZ 4.42Å; Q123-F166 WeakPolarHBondContact O-CD2 3.35Å; Q123-F166 WeakPolarHBondContact O-CE2 3.49Å; L124-F166 VanDerWaalsContact C-CE2 3.46Å; L139-F166 HydrophobicContact CD1-CE1 4.13Å; H153-F166 CarbonylContact C-O 3.27Å; H153-F166 WeakPolarHBondContact CA-O 3.41Å; T154-F166 HydrophobicContact CG2-CD2 4.3Å; T154-F166 HydrophobicContact CG2-CE1 3.81Å; T154-F166 HydrophobicContact CG2-CE2 3.49Å; T154-F166 VanDerWaalsContact CG2-CE2 3.49Å; T154-F166 HydrophobicContact CG2-CZ 3.22Å; T154-F166 PolarHBondContact N-O 3.25Å; T154-F166 PolarHBondContact O-N 2.89Å; T154-F166 VanDerWaalsContact O-N 3.1Å; V156-F166 HydrophobicContact CG2-CE1 3.67Å; V156-F166 HydrophobicContact CG2-CZ 4.08Å; F166-V184 CarbonylContact C-O 3.54Å; F166-V184 WeakPolarHBondContact CA-O 3.45Å; F166-V184 VanDerWaalsContact CB-O 3.3Å; F166-V184 WeakPolarHBondContact CB-O 3.48Å; F166-P187 HydrophobicContact CD1-CB 3.64Å; F166-P187 HydrophobicContact CD1-CG 3.58Å; F166-P187 HydrophobicContact CE1-CB 4.06Å; F166-P187 HydrophobicContact CE1-CG 3.79Å; F166-P187 HydrophobicContact CG-CB 4.48Å; F166-P187 HydrophobicContact CG-CG 4.17Å
167G98.2Very high97.6Very high0 Ų015.5 Ų15.50%09%0.085CC..EExtended strand (participates in β ladder)trans121.7-153.2-176.100000113.6N121 E152 V184N121-G167 CarbonylContact O-C 3.57Å; N121-G167 WeakPolarHBondContact O-CA 3.22Å; E152-G167 CarbonylContact O-C 3.56Å; E152-G167 WeakPolarHBondContact O-CA 3.45Å; G167-V184 PolarHBondContact N-O 3.02Å; G167-V184 PolarHBondContact O-N 3.01Å
168S97.9Very high97.4Very high0 Ų020.1 Ų20.10%010%0.103CC..EExtended strand (participates in β ladder)trans-62.5136.6172.5177.10000111.3N121 E152 Q173 L174N121-S168 PolarHBondContact O-N 3.4Å; E152-S168 WeakPolarHBondContact O-CB 3.29Å; E152-S168 PolarHBondContact O-N 3.04Å; E152-S168 PolarHBondContact OE2-OG 3.06Å; S168-Q173 WeakPolarHBondContact O-CG 3.28Å; S168-Q173 PolarHBondContact O-NE2 3.34Å; S168-Q173 VanDerWaalsContact O-NE2 3.17Å; S168-Q173 PolarHBondContact OG-NE2 2.91Å; S168-L174 WeakPolarHBondContact O-CD2 3.22Å; S168-L174 WeakPolarHBondContact O-CG 3.44Å
169N97.1Very high97.2Very high1 Ų123.1 Ų23.11%0.00512%0.124CC..EExtended strand (participates in β ladder)trans-125.222.8175.2-159.734.7000113.1K171 G172 Q173 L174 Y178 S179 S180N169-K171 PolarHBondContact O-N 2.84Å; N169-G172 PolarHBondContact O-N 3.48Å; N169-G172 VanDerWaalsContact O-N 3.12Å; N169-G172 VanDerWaalsContact OD1-CA 3.22Å; N169-G172 WeakPolarHBondContact OD1-CA 3.38Å; N169-Q173 VanDerWaalsContact C-OE1 3.31Å; N169-Q173 PolarHBondContact OD1-N 3.47Å; N169-L174 HydrophobicContact CB-CB 4.47Å; N169-L174 HydrophobicContact CB-CD1 3.68Å; N169-L174 HydrophobicContact CB-CG 3.82Å; N169-L174 WeakPolarHBondContact OD1-CB 3.38Å; N169-L174 PolarHBondContact OD1-N 3.29Å; N169-Y178 PolarHBondContact ND2-O 2.92Å; N169-S179 WeakPolarHBondContact O-CA 3.32Å; N169-S180 CarbonylContact C-O 3.59Å; N169-S180 VanDerWaalsContact C-O 3.27Å; N169-S180 PolarHBondContact O-N 2.92Å
170L96.6Very high97Very high82 Ų8224.3 Ų24.343%0.42913%0.133SC..THydrogen-bonded Turntrans-58.1-31.9-177.3-72.8169.4000113.6S180 E181L170-S180 WeakPolarHBondContact CA-O 3.43Å; L170-S180 PolarHBondContact N-O 3.23Å; L170-E181 HydrophobicContact CD2-CB 4.17Å; L170-E181 HydrophobicContact CD2-CG 3.94Å
171K95.9Very high96.7Very high72 Ų7232.2 Ų32.231%0.31317%0.17SC..THydrogen-bonded Turntrans-110.412-179.1-55.6-60.5-178.3-1730112.2N169 Q173 W206 G221N169-K171 PolarHBondContact O-N 2.84Å; K171-Q173 PolarHBondContact O-N 2.91Å; K171-W206 HydrophobicContact CB-CB 4.39Å; K171-W206 HydrophobicContact CG-CB 4.13Å; K171-W206 HydrophobicContact CG-CG 4.47Å; K171-G221 CarbonylContact O-C 3.57Å; K171-G221 VanDerWaalsContact O-C 3.29Å; K171-G221 VanDerWaalsContact O-CA 3.31Å; K171-G221 WeakPolarHBondContact O-CA 3.32Å
172G95.9Very high96.5Very high0 Ų039.6 Ų39.60%020%0.203CC..SBendtrans72.115.5-174.500000113.6N169 L174 G175 S179N169-G172 PolarHBondContact O-N 3.48Å; N169-G172 VanDerWaalsContact O-N 3.12Å; N169-G172 VanDerWaalsContact OD1-CA 3.22Å; N169-G172 WeakPolarHBondContact OD1-CA 3.38Å; G172-L174 PolarHBondContact O-N 3.47Å; G172-L174 VanDerWaalsContact O-N 3.13Å; G172-G175 PolarHBondContact O-N 3.3Å; G172-S179 WeakPolarHBondContact CA-OG 3.31Å; G172-S179 PolarHBondContact N-OG 3.49Å; G172-S179 VanDerWaalsContact N-OG 3.16Å
173Q97.4Very high96.3Very high0 Ų039 Ų390%021%0.207CC..THydrogen-bonded Turntrans-68.4-9.7-172.369.1-91.242.300114.7H153 S168 N169 K171 W206 S208 W220H153-Q173 HydrophobicContact CB-CG 4.2Å; S168-Q173 WeakPolarHBondContact O-CG 3.28Å; S168-Q173 PolarHBondContact O-NE2 3.34Å; S168-Q173 VanDerWaalsContact O-NE2 3.17Å; S168-Q173 PolarHBondContact OG-NE2 2.91Å; N169-Q173 VanDerWaalsContact C-OE1 3.31Å; N169-Q173 PolarHBondContact OD1-N 3.47Å; K171-Q173 PolarHBondContact O-N 2.91Å; Q173-W206 WeakPolarHBondContact CB-O 3.28Å; Q173-S208 WeakPolarHBondContact O-CB 3.18Å; Q173-S208 PolarHBondContact O-OG 3.05Å; Q173-W220 VanDerWaalsContact O-CD1 3.31Å; Q173-W220 PolarHBondContact O-NE1 3.14Å
174L98.1Very high96.2Very high0 Ų039.3 Ų39.30%021%0.209CC..THydrogen-bonded Turntrans-81.7-15.8170.9-56.1-172.2000113.2H153 A165 S168 N169 G172 L176 V184 I190H153-L174 HydrophobicContact CB-CD2 3.69Å; A165-L174 HydrophobicContact CB-CB 4.01Å; A165-L174 HydrophobicContact CB-CD2 4.07Å; A165-L174 WeakPolarHBondContact CB-O 3.5Å; S168-L174 WeakPolarHBondContact O-CD2 3.22Å; S168-L174 WeakPolarHBondContact O-CG 3.44Å; N169-L174 HydrophobicContact CB-CB 4.47Å; N169-L174 HydrophobicContact CB-CD1 3.68Å; N169-L174 HydrophobicContact CB-CG 3.82Å; N169-L174 WeakPolarHBondContact OD1-CB 3.38Å; N169-L174 PolarHBondContact OD1-N 3.29Å; G172-L174 PolarHBondContact O-N 3.47Å; G172-L174 VanDerWaalsContact O-N 3.13Å; L174-L176 VanDerWaalsContact C-N 3.31Å; L174-L176 HydrophobicContact CB-CD1 3.97Å; L174-L176 HydrophobicContact CB-CG 3.87Å; L174-L176 HydrophobicContact CD1-CD1 4.02Å; L174-L176 PolarHBondContact O-N 2.75Å; L174-V184 HydrophobicContact CD1-CB 3.58Å; L174-V184 HydrophobicContact CD1-CG1 4.37Å; L174-V184 HydrophobicContact CD1-CG2 3.69Å; L174-I190 VanDerWaalsContact O-CD1 3.31Å; L174-I190 WeakPolarHBondContact O-CD1 3.28Å
175G97.4Very high96.1Very high2 Ų240 Ų402%0.02122%0.215CC..  trans74.919.1175.500000114.4G172 G177 S277 P279G172-G175 PolarHBondContact O-N 3.3Å; G175-G177 VanDerWaalsContact C-N 3.28Å; G175-G177 PolarHBondContact O-N 3.31Å; G175-S277 CarbonylContact C-O 3.22Å; G175-S277 WeakPolarHBondContact CA-O 3.48Å; G175-P279 WeakPolarHBondContact O-CD 3.33Å
176L96.8Very high96.1Very high32 Ų3244.2 Ų44.217%0.16824%0.237CC..SBendtrans-85.45.7-174.2-58.4175.9000113.8L174 Y178 V184 Q188 I190 S277L174-L176 VanDerWaalsContact C-N 3.31Å; L174-L176 HydrophobicContact CB-CD1 3.97Å; L174-L176 HydrophobicContact CB-CG 3.87Å; L174-L176 HydrophobicContact CD1-CD1 4.02Å; L174-L176 PolarHBondContact O-N 2.75Å; L176-Y178 HydrophobicContact CB-CD1 4.08Å; L176-Y178 HydrophobicContact CB-CE1 3.59Å; L176-Y178 HydrophobicContact CD1-CE1 4.39Å; L176-Y178 WeakPolarHBondContact O-CD1 3.38Å; L176-V184 HydrophobicContact CD1-CG1 4.5Å; L176-V184 HydrophobicContact CD1-CG2 4.1Å; L176-Q188 HydrophobicContact CD1-CB 4.26Å; L176-Q188 HydrophobicContact CD2-CB 3.95Å; L176-I190 HydrophobicContact CD2-CG1 4.46Å; L176-S277 PolarHBondContact N-O 3.12Å
177G95.3Very high96.1Very high39 Ų3944.9 Ų44.940%0.40224%0.241SC..SBendtrans89.7-1178.900000115.6G175 S277G175-G177 VanDerWaalsContact C-N 3.28Å; G175-G177 PolarHBondContact O-N 3.31Å; G177-S277 VanDerWaalsContact C-OG 3.31Å; G177-S277 WeakPolarHBondContact CA-O 3.31Å; G177-S277 PolarHBondContact N-O 3.07Å; G177-S277 PolarHBondContact O-OG 2.93Å
178Y95.1Very high96.1Very high99 Ų9948.7 Ų48.739%0.38826%0.26SS..  trans-142.8163.1176.163.2-85.5000110.5N169 L176 S277N169-Y178 PolarHBondContact ND2-O 2.92Å; L176-Y178 HydrophobicContact CB-CD1 4.08Å; L176-Y178 HydrophobicContact CB-CE1 3.59Å; L176-Y178 HydrophobicContact CD1-CE1 4.39Å; L176-Y178 WeakPolarHBondContact O-CD1 3.38Å; Y178-S277 WeakPolarHBondContact O-CB 3.32Å
179S93.3Very high96.1Very high62 Ų6251.2 Ų51.243%0.43427%0.271SS..  trans-113.4140.1167.7-55.50000108N169 G172N169-S179 WeakPolarHBondContact O-CA 3.32Å; G172-S179 WeakPolarHBondContact CA-OG 3.31Å; G172-S179 PolarHBondContact N-OG 3.49Å; G172-S179 VanDerWaalsContact N-OG 3.16Å
180S92.9Very high96.1Very high37 Ų3751.3 Ų51.326%0.25927%0.272SS..EExtended strand (participates in β ladder)trans-148.3148.2-177.2-175.70000111.2N169 L170 Q182N169-S180 CarbonylContact C-O 3.59Å; N169-S180 VanDerWaalsContact C-O 3.27Å; N169-S180 PolarHBondContact O-N 2.92Å; L170-S180 WeakPolarHBondContact CA-O 3.43Å; L170-S180 PolarHBondContact N-O 3.23Å; S180-Q182 VanDerWaalsContact C-N 3.3Å; S180-Q182 PolarHBondContact OG-N 2.87Å; S180-Q182 VanDerWaalsContact OG-N 3.08Å
181E92.1Very high96.1Very high174 Ų17452.4 Ų52.481%0.81328%0.277SS*.EExtended strand (participates in β ladder)trans-71.9-26.6167.7-63.3-174.2168.400112.5L170 S183L170-E181 HydrophobicContact CD2-CB 4.17Å; L170-E181 HydrophobicContact CD2-CG 3.94Å; E181-S183 PolarHBondContact O-N 3.31Å
182Q93.6Very high96Very high159 Ų15951.5 Ų51.574%0.74328%0.279SS*.EExtended strand (participates in β ladder)trans-75.2119.9172.8-67.7-178.2-8.100109.9S180S180-Q182 VanDerWaalsContact C-N 3.3Å; S180-Q182 PolarHBondContact OG-N 2.87Å; S180-Q182 VanDerWaalsContact OG-N 3.08Å
183S94.6Very high96Very high42 Ų4251.7 Ų51.729%0.29428%0.281SS..EExtended strand (participates in β ladder)trans-69.7152.2175.3-71.90000112.4N121 E181N121-S183 WeakPolarHBondContact CA-OG 3.37Å; N121-S183 WeakPolarHBondContact CB-OG 3.45Å; N121-S183 WeakPolarHBondContact O-CB 3.3Å; N121-S183 PolarHBondContact O-OG 2.89Å; N121-S183 PolarHBondContact OD1-OG 2.86Å; E181-S183 PolarHBondContact O-N 3.31Å
184V97Very high95.9Very high11 Ų1152.8 Ų52.87%0.06729%0.288CS..EExtended strand (participates in β ladder)trans-103.897.1178.1177.40000108.7F166 G167 L174 L176 I186 Q188F166-V184 CarbonylContact C-O 3.54Å; F166-V184 WeakPolarHBondContact CA-O 3.45Å; F166-V184 VanDerWaalsContact CB-O 3.3Å; F166-V184 WeakPolarHBondContact CB-O 3.48Å; G167-V184 PolarHBondContact N-O 3.02Å; G167-V184 PolarHBondContact O-N 3.01Å; L174-V184 HydrophobicContact CD1-CB 3.58Å; L174-V184 HydrophobicContact CD1-CG1 4.37Å; L174-V184 HydrophobicContact CD1-CG2 3.69Å; L176-V184 HydrophobicContact CD1-CG1 4.5Å; L176-V184 HydrophobicContact CD1-CG2 4.1Å; V184-I186 VanDerWaalsContact CG1-O 3.26Å; V184-I186 WeakPolarHBondContact CG1-O 3.36Å; V184-Q188 HydrophobicContact CG1-CG 3.83Å
185S96.4Very high95.7Very high27 Ų2753.3 Ų53.319%0.18929%0.293CS..EExtended strand (participates in β ladder)trans-78.3-29.6-178.353.40000113.6G125 R126 E127G125-S185 CarbonylContact C-O 3.58Å; G125-S185 WeakPolarHBondContact CA-O 2.9Å; R126-S185 PolarHBondContact N-O 3.38Å; E127-S185 VanDerWaalsContact CG-OG 3.3Å; E127-S185 WeakPolarHBondContact CG-OG 3.42Å
186I97.4Very high95.7Very high89 Ų8953.2 Ų53.246%0.45629%0.292SS..EExtended strand (participates in β ladder)trans-93.2127.6179.5-59.3173.5000108.9E127 A138 V184 Q188E127-I186 HydrophobicContact CG-CG1 4.42Å; A138-I186 HydrophobicContact CB-CG2 4.36Å; V184-I186 VanDerWaalsContact CG1-O 3.26Å; V184-I186 WeakPolarHBondContact CG1-O 3.36Å; I186-Q188 PolarHBondContact O-N 2.79Å
187P98.4Very high95.7Very high14 Ų1451.7 Ų51.79%0.09128%0.284CS..EExtended strand (participates in β ladder)trans-50.5124.5177.5-27.534000113.3G125 V136 A138 L139 F164 F166G125-P187 WeakPolarHBondContact O-CD 2.74Å; V136-P187 HydrophobicContact CG1-CG 3.73Å; A138-P187 HydrophobicContact CB-CG 4.08Å; L139-P187 HydrophobicContact CD1-CB 3.9Å; L139-P187 HydrophobicContact CD1-CG 3.93Å; L139-P187 HydrophobicContact CD2-CB 3.89Å; L139-P187 HydrophobicContact CG-CB 3.83Å; L139-P187 HydrophobicContact CG-CG 3.92Å; F164-P187 HydrophobicContact CB-CB 4.5Å; F164-P187 HydrophobicContact CD1-CB 4.46Å; F166-P187 HydrophobicContact CD1-CB 3.64Å; F166-P187 HydrophobicContact CD1-CG 3.58Å; F166-P187 HydrophobicContact CE1-CB 4.06Å; F166-P187 HydrophobicContact CE1-CG 3.79Å; F166-P187 HydrophobicContact CG-CB 4.48Å; F166-P187 HydrophobicContact CG-CG 4.17Å
188Q98.2Very high95.9Very high81 Ų8149.9 Ų49.938%0.37927%0.265SS..EExtended strand (participates in β ladder)trans-114.7136.6175.9-67-167.530.300111.2F164 A165 L176 V184 I186F164-Q188 CarbonylContact C-O 3.44Å; F164-Q188 WeakPolarHBondContact CA-O 3.43Å; A165-Q188 PolarHBondContact N-O 3.3Å; A165-Q188 PolarHBondContact O-N 3.02Å; L176-Q188 HydrophobicContact CD1-CB 4.26Å; L176-Q188 HydrophobicContact CD2-CB 3.95Å; V184-Q188 HydrophobicContact CG1-CG 3.83Å; I186-Q188 PolarHBondContact O-N 2.79Å
189Q98Very high95.9Very high53 Ų5346.2 Ų46.225%0.24825%0.251CS..EExtended strand (participates in β ladder)trans-73.6131.7175.7-171.4179.7-24.700110.6V163 F164 L191 S194V163-Q189 CarbonylContact O-C 3.29Å; V163-Q189 WeakPolarHBondContact O-CA 3.34Å; F164-Q189 HydrophobicContact CD1-CB 3.89Å; F164-Q189 HydrophobicContact CE1-CB 3.67Å; F164-Q189 HydrophobicContact CE1-CG 4.34Å; F164-Q189 HydrophobicContact CZ-CB 4.13Å; F164-Q189 HydrophobicContact CZ-CG 4.32Å; Q189-L191 VanDerWaalsContact C-N 3.35Å; Q189-L191 HydrophobicContact CB-CD2 4.38Å; Q189-L191 HydrophobicContact CG-CD2 4.2Å; Q189-L191 PolarHBondContact O-N 3.33Å; Q189-S194 PolarHBondContact NE2-OG 3.19Å
190I97.9Very high96.1Very high2 Ų246.1 Ų46.11%0.0124%0.241CC..  trans-77.886.5172.5-50.7179.6000108.8V163 A165 L174 L176 C192 L193 W220 P279V163-I190 HydrophobicContact CG1-CD1 3.82Å; V163-I190 HydrophobicContact CG1-CG1 4.39Å; V163-I190 PolarHBondContact O-N 2.86Å; A165-I190 HydrophobicContact CB-CD1 4.05Å; A165-I190 HydrophobicContact CB-CG1 4.17Å; L174-I190 VanDerWaalsContact O-CD1 3.31Å; L174-I190 WeakPolarHBondContact O-CD1 3.28Å; L176-I190 HydrophobicContact CD2-CG1 4.46Å; I190-C192 VanDerWaalsContact C-N 3.31Å; I190-C192 PolarHBondContact O-N 2.6Å; I190-L193 HydrophobicContact CB-CD1 4.01Å; I190-L193 HydrophobicContact CB-CG 4.5Å; I190-L193 HydrophobicContact CD1-CD1 4.14Å; I190-L193 HydrophobicContact CG2-CB 4.42Å; I190-L193 HydrophobicContact CG2-CD1 3.66Å; I190-L193 HydrophobicContact CG2-CG 3.85Å; I190-L193 PolarHBondContact O-N 3.15Å; I190-W220 HydrophobicContact CD1-CH2 4.42Å; I190-W220 HydrophobicContact CD1-CZ2 3.71Å; I190-P279 HydrophobicContact CG2-CG 3.82Å
191L95.4Very high96.4Very high105 Ų10544.4 Ų44.455%0.5523%0.229SC..G310 helixtrans-61.7-34.6-170.7-69.4175.2000113.3Q189 L193 S194 R580Q189-L191 VanDerWaalsContact C-N 3.35Å; Q189-L191 HydrophobicContact CB-CD2 4.38Å; Q189-L191 HydrophobicContact CG-CD2 4.2Å; Q189-L191 PolarHBondContact O-N 3.33Å; L191-L193 PolarHBondContact O-N 3.36Å; L191-L193 VanDerWaalsContact O-N 3.14Å; L191-S194 WeakPolarHBondContact O-CB 3.48Å; L191-S194 PolarHBondContact O-N 2.86Å; L191-S194 PolarHBondContact O-OG 3.04Å; L191-R580 VanDerWaalsContact O-CZ 3.26Å; L191-R580 PolarHBondContact O-NH1 3.21Å; L191-R580 PolarHBondContact O-NH2 3.33Å
192C94.5Very high96.7Very high53 Ų5336.7 Ų36.736%0.35819%0.194SC..G310 helixtrans-65.2-16.8-178.663.60000113.9I190 P279 P584I190-C192 VanDerWaalsContact C-N 3.31Å; I190-C192 PolarHBondContact O-N 2.6Å; C192-P279 VanDerWaalsContact SG-CD 3.56Å; C192-P584 VanDerWaalsContact O-CB 3.31Å; C192-P584 WeakPolarHBondContact O-CB 3.5Å; C192-P584 VanDerWaalsContact O-CG 3.3Å; C192-P584 WeakPolarHBondContact O-CG 3.44Å
193L96.5Very high96.9Very high5 Ų529.6 Ų29.63%0.02616%0.162CC..G310 helixtrans-89.3-2.5175-66.6173.4000113.7V163 I190 L191 G195 L196 V210 Y218 W220 P279V163-L193 HydrophobicContact CB-CD1 4.37Å; V163-L193 HydrophobicContact CG1-CD1 4.5Å; V163-L193 HydrophobicContact CG2-CD1 4.43Å; I190-L193 HydrophobicContact CB-CD1 4.01Å; I190-L193 HydrophobicContact CB-CG 4.5Å; I190-L193 HydrophobicContact CD1-CD1 4.14Å; I190-L193 HydrophobicContact CG2-CB 4.42Å; I190-L193 HydrophobicContact CG2-CD1 3.66Å; I190-L193 HydrophobicContact CG2-CG 3.85Å; I190-L193 PolarHBondContact O-N 3.15Å; L191-L193 PolarHBondContact O-N 3.36Å; L191-L193 VanDerWaalsContact O-N 3.14Å; L193-G195 PolarHBondContact O-N 2.94Å; L193-L196 HydrophobicContact CB-CD1 4.19Å; L193-L196 HydrophobicContact CD2-CD1 3.49Å; L193-L196 VanDerWaalsContact CD2-CD1 3.49Å; L193-L196 HydrophobicContact CG-CD1 4.46Å; L193-L196 WeakPolarHBondContact O-CB 3.21Å; L193-L196 WeakPolarHBondContact O-CG 3.12Å; L193-L196 PolarHBondContact O-N 3.07Å; L193-V210 HydrophobicContact CD1-CB 4.48Å; L193-V210 HydrophobicContact CD1-CG2 3.93Å; L193-Y218 HydrophobicContact CD2-CG 4.39Å; L193-W220 HydrophobicContact CD1-CH2 3.95Å; L193-W220 HydrophobicContact CD1-CZ3 4.28Å; L193-P279 HydrophobicContact CD1-CB 4.31Å; L193-P279 HydrophobicContact CD1-CG 3.99Å; L193-P279 HydrophobicContact CD2-CB 3.59Å; L193-P279 HydrophobicContact CD2-CG 4.09Å; L193-P279 HydrophobicContact CG-CB 4.01Å; L193-P279 HydrophobicContact CG-CG 3.92Å
194S94.7Very high97Very high23 Ų2327.8 Ų27.816%0.16115%0.151CC..THydrogen-bonded Turntrans-63.9134.8-173.7-53.60000111.6Q189 L191 R580Q189-S194 PolarHBondContact NE2-OG 3.19Å; L191-S194 WeakPolarHBondContact O-CB 3.48Å; L191-S194 PolarHBondContact O-N 2.86Å; L191-S194 PolarHBondContact O-OG 3.04Å; S194-R580 PolarHBondContact OG-NH2 3.14Å
195G94.9Very high97.1Very high10 Ų1027.5 Ų27.510%0.10315%0.149CC..THydrogen-bonded Turntrans94-10-176.800000114.2L193 G518 C588L193-G195 PolarHBondContact O-N 2.94Å; G195-G518 WeakPolarHBondContact O-CA 3.44Å; G195-C588 PolarHBondContact O-SG 2.86Å
196L97.5Very high97.1Very high0 Ų029.6 Ų29.60%015%0.153CC..  trans-70.3136.2174.6-69.3174.6000111L193 V198 T212 Y218 P584 S585L193-L196 HydrophobicContact CB-CD1 4.19Å; L193-L196 HydrophobicContact CD2-CD1 3.49Å; L193-L196 VanDerWaalsContact CD2-CD1 3.49Å; L193-L196 HydrophobicContact CG-CD1 4.46Å; L193-L196 WeakPolarHBondContact O-CB 3.21Å; L193-L196 WeakPolarHBondContact O-CG 3.12Å; L193-L196 PolarHBondContact O-N 3.07Å; L196-V198 VanDerWaalsContact C-N 3.26Å; L196-V198 HydrophobicContact CB-CG2 4.11Å; L196-V198 PolarHBondContact O-N 3.4Å; L196-T212 HydrophobicContact CB-CG2 4.4Å; L196-T212 HydrophobicContact CD2-CG2 4.2Å; L196-Y218 HydrophobicContact CD1-CD2 4.12Å; L196-Y218 HydrophobicContact CD1-CE2 3.98Å; L196-Y218 HydrophobicContact CD2-CE2 4.2Å; L196-P584 HydrophobicContact CD1-CB 4.31Å; L196-P584 HydrophobicContact CD1-CG 4.06Å; L196-P584 HydrophobicContact CD2-CB 4.34Å; L196-P584 HydrophobicContact CD2-CG 3.85Å; L196-P584 HydrophobicContact CG-CB 4.35Å; L196-P584 HydrophobicContact CG-CG 3.66Å; L196-S585 VanDerWaalsContact CD2-CB 3.45Å
197P96.9Very high97.2Very high0 Ų025.4 Ų25.40%013%0.132CC..  trans-75.78017030.1-30.8000109.2R199 T212 V213 A522 E587P197-R199 PolarHBondContact O-N 3.08Å; P197-T212 CarbonylContact O-C 3.58Å; P197-T212 VanDerWaalsContact O-CA 3.23Å; P197-T212 WeakPolarHBondContact O-CA 3.29Å; P197-V213 HydrophobicContact CB-CB 4.39Å; P197-V213 HydrophobicContact CB-CG2 4.21Å; P197-V213 WeakPolarHBondContact O-CG2 3.17Å; P197-V213 PolarHBondContact O-N 3.08Å; P197-A522 HydrophobicContact CB-CB 3.66Å; P197-E587 HydrophobicContact CG-CB 4.28Å; P197-E587 WeakPolarHBondContact CG-OE2 3.46Å
198V97.9Very high97.2Very high1 Ų124.7 Ų24.71%0.00613%0.127CC..EExtended strand (participates in β ladder)trans-70121.1-175.1-178.80000110.6L157 V163 L196 I201 V210 I456L157-V198 HydrophobicContact CD1-CB 3.85Å; L157-V198 HydrophobicContact CD1-CG1 3.78Å; L157-V198 HydrophobicContact CD1-CG2 4.38Å; L157-V198 HydrophobicContact CD2-CB 4.33Å; L157-V198 HydrophobicContact CD2-CG1 3.75Å; L157-V198 HydrophobicContact CG-CG1 4.41Å; V163-V198 HydrophobicContact CG2-CG2 4.1Å; L196-V198 VanDerWaalsContact C-N 3.26Å; L196-V198 HydrophobicContact CB-CG2 4.11Å; L196-V198 PolarHBondContact O-N 3.4Å; V198-I201 HydrophobicContact CG1-CG2 4.18Å; V198-V210 HydrophobicContact CB-CG1 4.45Å; V198-V210 HydrophobicContact CG1-CG1 4.02Å; V198-V210 HydrophobicContact CG1-CG2 4.46Å; V198-V210 HydrophobicContact CG2-CG1 3.81Å; V198-I456 WeakPolarHBondContact O-CD1 3.5Å; V198-I456 WeakPolarHBondContact O-CG2 3.24Å
199R96.9Very high97.2Very high23 Ų2320.9 Ų20.99%0.08711%0.109CC..EExtended strand (participates in β ladder)trans-88-40.6172.2175.4176.3173.6156.61.6111.7P197 L211 V213 V291 R446 W448P197-R199 PolarHBondContact O-N 3.08Å; R199-L211 WeakPolarHBondContact CA-O 3.17Å; R199-L211 WeakPolarHBondContact CB-O 3.31Å; R199-L211 PolarHBondContact N-O 3.22Å; R199-V213 HydrophobicContact CB-CG2 4.05Å; R199-V291 PolarHBondContact NE-O 3.04Å; R199-V291 PolarHBondContact NH2-O 3.38Å; R199-V291 VanDerWaalsContact NH2-O 3.16Å; R199-R446 PolarHBondContact NH2-O 3.18Å; R199-W448 HydrophobicContact CG-CG 4.44Å
200R97.4Very high97.2Very high60 Ų6018.3 Ų18.323%0.22610%0.097CC..EExtended strand (participates in β ladder)trans-154.5141.1-175179.8168-79.9-119.5-3.5112.8Q146 V202 L211 Y292Q146-R200 VanDerWaalsContact OE1-CA 3.31Å; R200-V202 HydrophobicContact CG-CG2 3.86Å; R200-L211 HydrophobicContact CB-CB 4.28Å; R200-L211 PolarHBondContact N-O 3.33Å; R200-L211 PolarHBondContact O-N 3.11Å; R200-Y292 PolarHBondContact NH1-OH 3.37Å
201I98.6Very high97.2Very high1 Ų118.3 Ų18.31%0.00510%0.097CC..EExtended strand (participates in β ladder)trans-104.1143.516555.1165.7000110.5Q146 L155 L157 V163 V198 F209 V210Q146-I201 HydrophobicContact CB-CD1 4.29Å; Q146-I201 HydrophobicContact CB-CG1 4.09Å; Q146-I201 VanDerWaalsContact CD-CG1 3.45Å; Q146-I201 HydrophobicContact CG-CG1 4.07Å; Q146-I201 PolarHBondContact NE2-O 2.76Å; L155-I201 HydrophobicContact CB-CB 4.5Å; L155-I201 HydrophobicContact CB-CD1 3.86Å; L155-I201 WeakPolarHBondContact O-CD1 3.07Å; L157-I201 HydrophobicContact CB-CD1 3.9Å; L157-I201 HydrophobicContact CB-CG1 4.12Å; L157-I201 HydrophobicContact CB-CG2 4.14Å; V163-I201 HydrophobicContact CG1-CG2 4.21Å; V163-I201 HydrophobicContact CG2-CG2 4.3Å; V198-I201 HydrophobicContact CG1-CG2 4.18Å; I201-F209 WeakPolarHBondContact CA-O 3.46Å; I201-V210 HydrophobicContact CG2-CG2 3.8Å
202V98.2Very high97.3Very high11 Ų1113.3 Ų13.37%0.0677%0.071CC..EExtended strand (participates in β ladder)trans-141.1131.3176.3-172.90000109.8S148 R200 S208 F209 L293 C295S148-V202 WeakPolarHBondContact OG-CA 3.44Å; R200-V202 HydrophobicContact CG-CG2 3.86Å; V202-S208 CarbonylContact O-C 3.2Å; V202-S208 WeakPolarHBondContact O-CA 3.36Å; V202-F209 HydrophobicContact CB-CB 4.43Å; V202-F209 PolarHBondContact N-O 3.17Å; V202-F209 PolarHBondContact O-N 2.89Å; V202-L293 HydrophobicContact CG2-CB 3.75Å; V202-C295 HydrophobicContact CG1-CB 3.95Å; V202-C295 VanDerWaalsContact CG1-SG 3.56Å
203A98.3Very high97.2Very high10 Ų1010.8 Ų10.88%0.0835%0.054CC..EExtended strand (participates in β ladder)trans-111.9125169.700000108.9S148 L155S148-A203 PolarHBondContact OG-N 3.05Å; L155-A203 HydrophobicContact CD1-CB 4.1Å; L155-A203 HydrophobicContact CG-CB 4.31Å
204G97.1Very high97Very high5 Ų511 Ų115%0.0526%0.056CC..  trans-93.6-157.9162.900000110.5G150 H153 H207 G296G150-G204 WeakPolarHBondContact CA-O 3.29Å; H153-G204 PolarHBondContact CE1-O 2.91Å; G204-H207 PolarHBondContact N-O 2.93Å; G204-G296 WeakPolarHBondContact CA-O 3.4Å
205G97.3Very high96.9Very high4 Ų410.3 Ų10.34%0.0415%0.052CC..SBendtrans-56.6-62.5-175.100000113.8V151 G296 E297V151-G205 VanDerWaalsContact CG2-CA 3.43Å; V151-G205 WeakPolarHBondContact CG2-O 3.24Å; V151-G205 PolarHBondContact N-O 2.8Å; V151-G205 VanDerWaalsContact N-O 3.14Å; G205-G296 PolarHBondContact N-O 2.84Å; G205-E297 WeakPolarHBondContact CA-O 3.11Å; G205-E297 PolarHBondContact N-O 3.09Å
206W97.8Very high96.9Very high72 Ų7210.8 Ų10.827%0.2735%0.054SC..SBendtrans-128.229.5176.1-56.4-83.4000112.7V151 K171 Q173 G221 S222 E297 T298V151-W206 HydrophobicContact CG2-CZ2 4.34Å; K171-W206 HydrophobicContact CB-CB 4.39Å; K171-W206 HydrophobicContact CG-CB 4.13Å; K171-W206 HydrophobicContact CG-CG 4.47Å; Q173-W206 WeakPolarHBondContact CB-O 3.28Å; W206-G221 CarbonylContact O-C 3.57Å; W206-G221 WeakPolarHBondContact O-CA 3.33Å; W206-S222 WeakPolarHBondContact O-CB 3.34Å; W206-S222 PolarHBondContact O-N 2.93Å; W206-E297 HydrophobicContact CH2-CG 4.04Å; W206-E297 WeakPolarHBondContact CH2-OE1 3.04Å; W206-E297 HydrophobicContact CZ3-CG 3.71Å; W206-T298 HydrophobicContact CZ3-CG2 4.1Å
207H98Very high96.9Very high0 Ų010.9 Ų10.90%06%0.055CC..EExtended strand (participates in β ladder)trans-145.3160.1-178.165-57.5000110.8G204 F209 W220 Q227 L228 T300G204-H207 PolarHBondContact N-O 2.93Å; H207-F209 AromaticContact CD2-CE2 3.27Å; H207-F209 WeakPolarHBondContact CD2-CE2 3.14Å; H207-F209 AromaticContact CD2-CZ 3.83Å; H207-F209 AromaticContact NE2-CE2 3.77Å; H207-W220 CarbonylContact C-O 3.32Å; H207-W220 WeakPolarHBondContact CA-O 3.39Å; H207-Q227 HydrophobicContact CB-CG 4.39Å; H207-L228 HydrophobicContact CB-CD2 3.6Å; H207-T300 PolarHBondContact NE2-OG1 3.3Å
208S98.7Very high96.9Very high0 Ų011.5 Ų11.50%06%0.057CC..EExtended strand (participates in β ladder)trans-146.7147.4-163.1-68.80000110.5H153 Q173 V202 A219 W220H153-S208 PolarHBondContact NE2-OG 3.2Å; Q173-S208 WeakPolarHBondContact O-CB 3.18Å; Q173-S208 PolarHBondContact O-OG 3.05Å; V202-S208 CarbonylContact O-C 3.2Å; V202-S208 WeakPolarHBondContact O-CA 3.36Å; S208-A219 WeakPolarHBondContact O-CA 3.27Å; S208-W220 PolarHBondContact N-O 3.21Å; S208-W220 PolarHBondContact O-N 3.37Å
209F98.6Very high96.9Very high0 Ų011.5 Ų11.50%06%0.057CC..EExtended strand (participates in β ladder)trans-140151.7-179.2-63.9-90.3000113.4I201 V202 H207 L217 Y218 A219 Q227 L228 L293 C295 T300 F312I201-F209 WeakPolarHBondContact CA-O 3.46Å; V202-F209 HydrophobicContact CB-CB 4.43Å; V202-F209 PolarHBondContact N-O 3.17Å; V202-F209 PolarHBondContact O-N 2.89Å; H207-F209 AromaticContact CD2-CE2 3.27Å; H207-F209 WeakPolarHBondContact CD2-CE2 3.14Å; H207-F209 AromaticContact CD2-CZ 3.83Å; H207-F209 AromaticContact NE2-CE2 3.77Å; F209-L217 HydrophobicContact CB-CD1 3.99Å; F209-L217 HydrophobicContact CD1-CD1 3.68Å; F209-L217 HydrophobicContact CD1-CD2 4.09Å; F209-L217 HydrophobicContact CD1-CG 3.98Å; F209-L217 HydrophobicContact CE1-CD2 4.22Å; F209-L217 HydrophobicContact CE1-CG 4.5Å; F209-L217 HydrophobicContact CG-CD1 4.22Å; F209-Y218 CarbonylContact C-O 3.57Å; F209-Y218 WeakPolarHBondContact CA-O 3.11Å; F209-A219 HydrophobicContact CD1-CB 3.46Å; F209-A219 VanDerWaalsContact CD1-CB 3.46Å; F209-A219 HydrophobicContact CE1-CB 3.23Å; F209-A219 HydrophobicContact CZ-CB 4.16Å; F209-Q227 WeakPolarHBondContact CZ-O 3.48Å; F209-L228 HydrophobicContact CZ-CD2 4.48Å; F209-L293 HydrophobicContact CB-CD1 4.03Å; F209-L293 HydrophobicContact CD1-CD1 4.46Å; F209-L293 HydrophobicContact CG-CD1 4.24Å; F209-C295 WeakPolarHBondContact CE2-SG 3.31Å; F209-T300 HydrophobicContact CE1-CG2 4.46Å; F209-T300 HydrophobicContact CE2-CG2 3.83Å; F209-T300 WeakPolarHBondContact CE2-OG1 3.21Å; F209-T300 HydrophobicContact CZ-CG2 3.76Å; F209-T300 WeakPolarHBondContact CZ-OG1 3.2Å; F209-F312 HydrophobicContact CE1-CE2 4.35Å; F209-F312 HydrophobicContact CE1-CZ 4.48Å; F209-F312 HydrophobicContact CZ-CE2 4.06Å; F209-F312 HydrophobicContact CZ-CZ 4.43Å
210V98.4Very high96.9Very high0 Ų010.4 Ų10.40%05%0.053CC..EExtended strand (participates in β ladder)trans-124.7123.9163.21560000108.8V163 L193 V198 I201 L217 Y218 W220V163-V210 HydrophobicContact CG2-CG2 4.16Å; L193-V210 HydrophobicContact CD1-CB 4.48Å; L193-V210 HydrophobicContact CD1-CG2 3.93Å; V198-V210 HydrophobicContact CB-CG1 4.45Å; V198-V210 HydrophobicContact CG1-CG1 4.02Å; V198-V210 HydrophobicContact CG1-CG2 4.46Å; V198-V210 HydrophobicContact CG2-CG1 3.81Å; I201-V210 HydrophobicContact CG2-CG2 3.8Å; V210-L217 WeakPolarHBondContact O-CD1 3.25Å; V210-Y218 PolarHBondContact N-O 2.81Å; V210-Y218 PolarHBondContact O-N 3.08Å; V210-W220 HydrophobicContact CB-CH2 4.15Å; V210-W220 HydrophobicContact CB-CZ3 4.13Å; V210-W220 HydrophobicContact CG2-CH2 3.67Å; V210-W220 HydrophobicContact CG2-CZ3 4.16Å
211L98Very high96.9Very high1 Ų17.5 Ų7.51%0.0054%0.042CC..EExtended strand (participates in β ladder)trans-101.8128.4170.2-179.965000108.9R199 R200 L217 V290 V291 L293R199-L211 WeakPolarHBondContact CA-O 3.17Å; R199-L211 WeakPolarHBondContact CB-O 3.31Å; R199-L211 PolarHBondContact N-O 3.22Å; R200-L211 HydrophobicContact CB-CB 4.28Å; R200-L211 PolarHBondContact N-O 3.33Å; R200-L211 PolarHBondContact O-N 3.11Å; L211-L217 HydrophobicContact CB-CD1 4.49Å; L211-V290 HydrophobicContact CD1-CB 4.05Å; L211-V290 HydrophobicContact CD1-CG1 3.83Å; L211-V290 HydrophobicContact CD2-CG1 4.26Å; L211-V291 VanDerWaalsContact CD2-C 3.44Å; L211-V291 WeakPolarHBondContact CD2-O 3.07Å; L211-L293 HydrophobicContact CB-CD1 4.48Å
212T96.6Very high96.8Very high0 Ų07.6 Ų7.60%04%0.042CC..EExtended strand (participates in β ladder)trans-85.7165.9175.563.60000111.9L196 P197 S214 G215 S216 Y218 E587L196-T212 HydrophobicContact CB-CG2 4.4Å; L196-T212 HydrophobicContact CD2-CG2 4.2Å; P197-T212 CarbonylContact O-C 3.58Å; P197-T212 VanDerWaalsContact O-CA 3.23Å; P197-T212 WeakPolarHBondContact O-CA 3.29Å; T212-S214 PolarHBondContact O-N 2.94Å; T212-G215 PolarHBondContact O-N 3.32Å; T212-G215 VanDerWaalsContact O-N 3.1Å; T212-G215 PolarHBondContact OG1-N 3.41Å; T212-S216 PolarHBondContact N-O 3.15Å; T212-S216 WeakPolarHBondContact OG1-CA 3.46Å; T212-S216 VanDerWaalsContact OG1-CB 3.26Å; T212-S216 WeakPolarHBondContact OG1-CB 3.3Å; T212-S216 PolarHBondContact OG1-N 3.33Å; T212-S216 PolarHBondContact OG1-O 2.99Å; T212-S216 VanDerWaalsContact OG1-O 3.05Å; T212-Y218 HydrophobicContact CG2-CE2 4.27Å; T212-E587 WeakPolarHBondContact CB-OE2 3.43Å; T212-E587 PolarHBondContact OG1-OE1 2.86Å; T212-E587 PolarHBondContact OG1-OE2 3.01Å
213V93.8Very high96.6Very high1 Ų18.1 Ų8.11%0.0065%0.045CC..THydrogen-bonded Turntrans-60-32.6174.8176.10000112.1P197 R199 G215 W448 A522 L525P197-V213 HydrophobicContact CB-CB 4.39Å; P197-V213 HydrophobicContact CB-CG2 4.21Å; P197-V213 WeakPolarHBondContact O-CG2 3.17Å; P197-V213 PolarHBondContact O-N 3.08Å; R199-V213 HydrophobicContact CB-CG2 4.05Å; V213-G215 VanDerWaalsContact C-N 3.28Å; V213-G215 PolarHBondContact O-N 3.37Å; V213-W448 HydrophobicContact CB-CH2 4.37Å; V213-W448 HydrophobicContact CB-CZ3 4.3Å; V213-W448 HydrophobicContact CG1-CE3 3.73Å; V213-W448 HydrophobicContact CG1-CH2 3.89Å; V213-W448 HydrophobicContact CG1-CZ3 3.37Å; V213-W448 HydrophobicContact CG2-CE3 4.36Å; V213-W448 HydrophobicContact CG2-CH2 3.46Å; V213-W448 VanDerWaalsContact CG2-CH2 3.46Å; V213-W448 HydrophobicContact CG2-CZ2 3.66Å; V213-W448 HydrophobicContact CG2-CZ3 3.85Å; V213-A522 HydrophobicContact CG2-CB 4.33Å; V213-L525 HydrophobicContact CB-CD1 4.45Å; V213-L525 HydrophobicContact CG1-CD1 3.45Å; V213-L525 VanDerWaalsContact CG1-CD1 3.45Å
214S91.2Very high96.4Very high10 Ų1010.9 Ų10.97%0.076%0.058CC..THydrogen-bonded Turntrans-86.29.3177.1-69.30000114.2T212 S216 H533 F534 E587 R590T212-S214 PolarHBondContact O-N 2.94Å; S214-S216 VanDerWaalsContact C-N 3.31Å; S214-S216 PolarHBondContact O-N 3.23Å; S214-H533 WeakPolarHBondContact CB-O 3.29Å; S214-H533 PolarHBondContact OG-O 3.36Å; S214-F534 VanDerWaalsContact C-CD1 3.44Å; S214-F534 WeakPolarHBondContact O-CD1 3.25Å; S214-E587 WeakPolarHBondContact CB-OE2 3.47Å; S214-R590 PolarHBondContact OG-NH1 3.45Å; S214-R590 PolarHBondContact OG-NH2 2.88Å
215G93.7Very high96.2Very high7 Ų715.3 Ų15.37%0.0727%0.074CC..  trans79.65.9175.600000115.6T212 V213 V290T212-G215 PolarHBondContact O-N 3.32Å; T212-G215 VanDerWaalsContact O-N 3.1Å; T212-G215 PolarHBondContact OG1-N 3.41Å; V213-G215 VanDerWaalsContact C-N 3.28Å; V213-G215 PolarHBondContact O-N 3.37Å; G215-V290 WeakPolarHBondContact CA-O 3.42Å
216S94.1Very high96Very high21 Ų2115.3 Ų15.315%0.1478%0.075CC..  trans-66.6133.4167.5-63.40000110.4T212 S214 E587T212-S216 PolarHBondContact N-O 3.15Å; T212-S216 WeakPolarHBondContact OG1-CA 3.46Å; T212-S216 VanDerWaalsContact OG1-CB 3.26Å; T212-S216 WeakPolarHBondContact OG1-CB 3.3Å; T212-S216 PolarHBondContact OG1-N 3.33Å; T212-S216 PolarHBondContact OG1-O 2.99Å; T212-S216 VanDerWaalsContact OG1-O 3.05Å; S214-S216 VanDerWaalsContact C-N 3.31Å; S214-S216 PolarHBondContact O-N 3.23Å; S216-E587 WeakPolarHBondContact CB-OE1 3.22Å; S216-E587 PolarHBondContact OG-OE1 3.4Å
217L96.5Very high95.9Very high2 Ų211.9 Ų11.91%0.016%0.062CC..EExtended strand (participates in β ladder)trans-114.9129.9-177.3-178.957.1000111.4F209 V210 L211 F281 V282 L285 L293F209-L217 HydrophobicContact CB-CD1 3.99Å; F209-L217 HydrophobicContact CD1-CD1 3.68Å; F209-L217 HydrophobicContact CD1-CD2 4.09Å; F209-L217 HydrophobicContact CD1-CG 3.98Å; F209-L217 HydrophobicContact CE1-CD2 4.22Å; F209-L217 HydrophobicContact CE1-CG 4.5Å; F209-L217 HydrophobicContact CG-CD1 4.22Å; V210-L217 WeakPolarHBondContact O-CD1 3.25Å; L211-L217 HydrophobicContact CB-CD1 4.49Å; L217-F281 WeakPolarHBondContact O-CA 3.31Å; L217-F281 WeakPolarHBondContact O-CD2 3.43Å; L217-V282 HydrophobicContact CB-CB 4.2Å; L217-V282 HydrophobicContact CB-CG2 4.35Å; L217-V282 HydrophobicContact CD2-CB 4.26Å; L217-V282 HydrophobicContact CD2-CG2 4.06Å; L217-V282 HydrophobicContact CG-CB 4.21Å; L217-V282 HydrophobicContact CG-CG2 3.88Å; L217-V282 PolarHBondContact O-N 3.29Å; L217-L285 HydrophobicContact CD2-CD1 3.95Å; L217-L293 HydrophobicContact CD1-CD1 3.22Å; L217-L293 HydrophobicContact CD2-CD1 3.95Å; L217-L293 HydrophobicContact CD2-CD2 4.34Å; L217-L293 HydrophobicContact CG-CD1 4.21Å
218Y97.6Very high95.8Very high13 Ų1311.9 Ų11.95%0.0516%0.062CC..EExtended strand (participates in β ladder)trans-116.3133.7173.5-67.5-99.8000109.8L193 L196 F209 V210 T212 T280 F281 P584 S585L193-Y218 HydrophobicContact CD2-CG 4.39Å; L196-Y218 HydrophobicContact CD1-CD2 4.12Å; L196-Y218 HydrophobicContact CD1-CE2 3.98Å; L196-Y218 HydrophobicContact CD2-CE2 4.2Å; F209-Y218 CarbonylContact C-O 3.57Å; F209-Y218 WeakPolarHBondContact CA-O 3.11Å; V210-Y218 PolarHBondContact N-O 2.81Å; V210-Y218 PolarHBondContact O-N 3.08Å; T212-Y218 HydrophobicContact CG2-CE2 4.27Å; Y218-T280 CarbonylContact C-O 3.49Å; Y218-T280 WeakPolarHBondContact CA-O 3.48Å; Y218-F281 HydrophobicContact CD1-CB 4.14Å; Y218-F281 HydrophobicContact CE1-CB 3.83Å; Y218-F281 HydrophobicContact CE1-CD2 4.36Å; Y218-F281 HydrophobicContact CE2-CD2 4.1Å; Y218-F281 AromaticContact CZ-CD2 4Å; Y218-P584 PolarHBondContact OH-O 3.47Å; Y218-S585 VanDerWaalsContact OH-CB 3.29Å; Y218-S585 WeakPolarHBondContact OH-CB 3.49Å
219A97.7Very high95.6Very high0 Ų012 Ų120%06%0.062CC..EExtended strand (participates in β ladder)trans-129.3144.1-173.200000111.7S208 F209 L228 T280 V282S208-A219 WeakPolarHBondContact O-CA 3.27Å; F209-A219 HydrophobicContact CD1-CB 3.46Å; F209-A219 VanDerWaalsContact CD1-CB 3.46Å; F209-A219 HydrophobicContact CE1-CB 3.23Å; F209-A219 HydrophobicContact CZ-CB 4.16Å; A219-L228 HydrophobicContact CB-CB 3.98Å; A219-L228 HydrophobicContact CB-CD2 4.18Å; A219-L228 WeakPolarHBondContact CB-O 3.26Å; A219-T280 PolarHBondContact N-O 3.48Å; A219-T280 PolarHBondContact O-N 2.87Å; A219-V282 HydrophobicContact CB-CG2 3.59Å
220W97.8Very high95.2Very high0 Ų012.5 Ų12.50%07%0.065CC..EExtended strand (participates in β ladder)trans-158.2166.6173.763.696.3000111.4L155 Q173 I190 L193 H207 S208 V210 L228 V276 P279L155-W220 HydrophobicContact CD1-CZ2 4.33Å; L155-W220 HydrophobicContact CD2-CZ2 4.26Å; Q173-W220 VanDerWaalsContact O-CD1 3.31Å; Q173-W220 PolarHBondContact O-NE1 3.14Å; I190-W220 HydrophobicContact CD1-CH2 4.42Å; I190-W220 HydrophobicContact CD1-CZ2 3.71Å; L193-W220 HydrophobicContact CD1-CH2 3.95Å; L193-W220 HydrophobicContact CD1-CZ3 4.28Å; H207-W220 CarbonylContact C-O 3.32Å; H207-W220 WeakPolarHBondContact CA-O 3.39Å; S208-W220 PolarHBondContact N-O 3.21Å; S208-W220 PolarHBondContact O-N 3.37Å; V210-W220 HydrophobicContact CB-CH2 4.15Å; V210-W220 HydrophobicContact CB-CZ3 4.13Å; V210-W220 HydrophobicContact CG2-CH2 3.67Å; V210-W220 HydrophobicContact CG2-CZ3 4.16Å; W220-L228 WeakPolarHBondContact O-CD2 3.2Å; W220-V276 CarbonylContact C-O 3.49Å; W220-V276 WeakPolarHBondContact CA-O 3.3Å; W220-V276 HydrophobicContact CB-CG1 4.41Å; W220-V276 WeakPolarHBondContact CB-O 3.4Å; W220-P279 HydrophobicContact CD2-CB 4.1Å; W220-P279 HydrophobicContact CD2-CG 3.8Å; W220-P279 HydrophobicContact CE3-CB 3.51Å; W220-P279 HydrophobicContact CE3-CG 3.69Å; W220-P279 HydrophobicContact CG-CG 4.29Å; W220-P279 HydrophobicContact CH2-CG 4.5Å; W220-P279 HydrophobicContact CZ3-CB 3.87Å; W220-P279 HydrophobicContact CZ3-CG 4.06Å
221G97.5Very high94.1Very high0 Ų015.4 Ų15.40%09%0.085CC..EExtended strand (participates in β ladder)trans105.3-146.1-175.400000112.8K171 W206 N275 V276K171-G221 CarbonylContact O-C 3.57Å; K171-G221 VanDerWaalsContact O-C 3.29Å; K171-G221 VanDerWaalsContact O-CA 3.31Å; K171-G221 WeakPolarHBondContact O-CA 3.32Å; W206-G221 CarbonylContact O-C 3.57Å; W206-G221 WeakPolarHBondContact O-CA 3.33Å; G221-N275 CarbonylContact O-C 3.56Å; G221-N275 WeakPolarHBondContact O-CA 3.07Å; G221-V276 PolarHBondContact N-O 3.38Å; G221-V276 PolarHBondContact O-N 2.88Å
222S95.8Very high92.2Very high2 Ų224.8 Ų24.81%0.01412%0.122CC..  trans-68.1134.9-178.7166.30000112.7W206 Q227 N275W206-S222 WeakPolarHBondContact O-CB 3.34Å; W206-S222 PolarHBondContact O-N 2.93Å; S222-Q227 VanDerWaalsContact O-CG 3.23Å; S222-Q227 WeakPolarHBondContact O-CG 3.46Å; S222-Q227 PolarHBondContact O-NE2 3.24Å; S222-Q227 PolarHBondContact OG-NE2 2.81Å; S222-N275 VanDerWaalsContact CA-OD1 3.29Å; S222-N275 WeakPolarHBondContact CA-OD1 3.38Å
223N94.8Very high89.8Confident22 Ų2232.6 Ų32.612%0.11816%0.156CC..  trans-127.119174.6-15529.7000114Y225 G226 Q227 L228 S274N223-Y225 PolarHBondContact O-N 3.13Å; N223-G226 PolarHBondContact O-N 2.78Å; N223-G226 WeakPolarHBondContact OD1-CA 3.4Å; N223-Q227 PolarHBondContact OD1-N 2.73Å; N223-L228 HydrophobicContact CB-CB 4.49Å; N223-L228 HydrophobicContact CB-CD1 3.77Å; N223-L228 HydrophobicContact CB-CG 3.9Å; N223-L228 WeakPolarHBondContact OD1-CB 3.13Å; N223-L228 PolarHBondContact OD1-N 2.73Å; N223-S274 WeakPolarHBondContact CB-O 3.29Å
224N92.7Very high87.2Confident68 Ų6836 Ų3636%0.36419%0.191SC..THydrogen-bonded Turntrans-54.6-23.8-176.4-64.5-28.1000114.6S274N224-S274 PolarHBondContact OD1-OG 3.36Å
225Y93.6Very high84.5Confident98 Ų9840 Ų4038%0.38422%0.219SC..THydrogen-bonded Turntrans-116.47.4179.3-57-76.9000112.9N223 T298 G313 A314 I327 G328N223-Y225 PolarHBondContact O-N 3.13Å; Y225-T298 HydrophobicContact CD2-CG2 3.91Å; Y225-T298 HydrophobicContact CE2-CG2 3.77Å; Y225-G313 CarbonylContact O-C 3.59Å; Y225-G313 VanDerWaalsContact O-C 3.32Å; Y225-G313 VanDerWaalsContact O-CA 3.29Å; Y225-G313 WeakPolarHBondContact O-CA 3.06Å; Y225-A314 HydrophobicContact CD1-CB 4.06Å; Y225-A314 HydrophobicContact CD2-CB 4.3Å; Y225-A314 HydrophobicContact CG-CB 3.84Å; Y225-I327 HydrophobicContact CD1-CG2 4.06Å; Y225-I327 WeakPolarHBondContact CD1-O 3.48Å; Y225-I327 HydrophobicContact CE1-CG2 4.26Å; Y225-G328 WeakPolarHBondContact O-CA 3.24Å
226G93.1Very high81.4Confident5 Ų543.2 Ų43.25%0.05224%0.241CC..SBendtrans79.215.6-172.900000114.4N223 L228 G229N223-G226 PolarHBondContact O-N 2.78Å; N223-G226 WeakPolarHBondContact OD1-CA 3.4Å; G226-L228 PolarHBondContact O-N 2.85Å; G226-L228 VanDerWaalsContact O-N 3.12Å; G226-G229 PolarHBondContact O-N 2.83Å
227Q95.6Very high78.4Confident0 Ų047.1 Ų47.10%027%0.265CS..THydrogen-bonded Turntrans-68.6-8.9-172.667.3-94.949.800115.1H207 F209 S222 N223 T298 T300 F312 G313H207-Q227 HydrophobicContact CB-CG 4.39Å; F209-Q227 WeakPolarHBondContact CZ-O 3.48Å; S222-Q227 VanDerWaalsContact O-CG 3.23Å; S222-Q227 WeakPolarHBondContact O-CG 3.46Å; S222-Q227 PolarHBondContact O-NE2 3.24Å; S222-Q227 PolarHBondContact OG-NE2 2.81Å; N223-Q227 PolarHBondContact OD1-N 2.73Å; Q227-T298 WeakPolarHBondContact CB-O 3.47Å; Q227-T300 PolarHBondContact O-OG1 2.88Å; Q227-F312 VanDerWaalsContact O-CD2 3.31Å; Q227-F312 WeakPolarHBondContact O-CD2 3.28Å; Q227-F312 WeakPolarHBondContact O-CE2 3.26Å; Q227-G313 VanDerWaalsContact CA-CA 3.45Å
228L96Very high75.3Confident0 Ų054 Ų540%030%0.303CS..THydrogen-bonded Turntrans-84.1-13.4171.8-57.9-174.5000113.2H207 F209 A219 W220 N223 G226 L230 V276 V282 F312H207-L228 HydrophobicContact CB-CD2 3.6Å; F209-L228 HydrophobicContact CZ-CD2 4.48Å; A219-L228 HydrophobicContact CB-CB 3.98Å; A219-L228 HydrophobicContact CB-CD2 4.18Å; A219-L228 WeakPolarHBondContact CB-O 3.26Å; W220-L228 WeakPolarHBondContact O-CD2 3.2Å; N223-L228 HydrophobicContact CB-CB 4.49Å; N223-L228 HydrophobicContact CB-CD1 3.77Å; N223-L228 HydrophobicContact CB-CG 3.9Å; N223-L228 WeakPolarHBondContact OD1-CB 3.13Å; N223-L228 PolarHBondContact OD1-N 2.73Å; G226-L228 PolarHBondContact O-N 2.85Å; G226-L228 VanDerWaalsContact O-N 3.12Å; L228-L230 HydrophobicContact CB-CB 4.37Å; L228-L230 HydrophobicContact CB-CD1 3.9Å; L228-L230 HydrophobicContact CB-CG 3.84Å; L228-L230 HydrophobicContact CD1-CD1 3.92Å; L228-L230 PolarHBondContact O-N 3.09Å; L228-V276 HydrophobicContact CD1-CB 3.74Å; L228-V276 HydrophobicContact CD1-CG2 3.76Å; L228-V282 WeakPolarHBondContact O-CG2 3.48Å; L228-F312 VanDerWaalsContact C-CE2 3.48Å
229G94.2Very high72.2Confident1 Ų159.5 Ų59.51%0.0133%0.333CS..  trans72.911.5-176.200000113.6G226 T284 F312 S330G226-G229 PolarHBondContact O-N 2.83Å; G229-T284 PolarHBondContact O-OG1 3.44Å; G229-F312 VanDerWaalsContact CA-CD2 3.45Å; G229-F312 VanDerWaalsContact N-CE2 3.32Å; G229-S330 CarbonylContact C-O 3.52Å; G229-S330 WeakPolarHBondContact CA-O 3.25Å
230L90.4Very high69Low12 Ų1267.4 Ų67.46%0.06337%0.369CS..  trans-92.5114.6178.4-56.5175.3000108.2L228 V276 T280 V282L228-L230 HydrophobicContact CB-CB 4.37Å; L228-L230 HydrophobicContact CB-CD1 3.9Å; L228-L230 HydrophobicContact CB-CG 3.84Å; L228-L230 HydrophobicContact CD1-CD1 3.92Å; L228-L230 PolarHBondContact O-N 3.09Å; L230-V276 HydrophobicContact CD1-CB 4.48Å; L230-V276 HydrophobicContact CD1-CG1 4.36Å; L230-V276 HydrophobicContact CD1-CG2 3.91Å; L230-T280 HydrophobicContact CD1-CG2 3.97Å; L230-T280 HydrophobicContact CD2-CG2 3.94Å; L230-V282 HydrophobicContact CD2-CG2 4.03Å
231S75.7Confident65.7Low60 Ų6076.1 Ų76.142%0.4241%0.41SS..  trans-54.1151.3170.4-46.90000110.8F233S231-F233 PolarHBondContact O-N 3.37Å
232Y58.5Low62.2Low199 Ų19982 Ų8278%0.7844%0.441SS*.  trans-39.4104.4-174-69.4-82.9000113.8G234Y232-G234 PolarHBondContact O-N 2.86Å
233F46.4Very low59Low163 Ų16391.1 Ų91.172%0.71548%0.484SS*.THydrogen-bonded Turntrans-78.889.1162.6-108.3-91.3000106.9S231 T280S231-F233 PolarHBondContact O-N 3.37Å; F233-T280 HydrophobicContact CE2-CG2 4.44Å
234G37.9Very low55.8Low72 Ų7296.1 Ų96.174%0.74251%0.51SS*.THydrogen-bonded Turntrans-170.4-17.2-177.300000116.4Y232 S236Y232-G234 PolarHBondContact O-N 2.86Å; G234-S236 PolarHBondContact O-N 3.47Å
235S34.4Very low52.5Low95 Ų9597.6 Ų97.666%0.66452%0.522SS*.  trans-79.9105.4172.2-39.30000109.3
236S29.3Very low49.3Very low75 Ų75101.4 Ų101.452%0.52455%0.547SS..  trans-50140.6159.4-179.30000108.8G234 N238 D239G234-S236 PolarHBondContact O-N 3.47Å; S236-N238 PolarHBondContact O-N 3.38Å; S236-D239 PolarHBondContact O-N 2.75Å
237P32.1Very low46Very low102 Ų102109.5 Ų109.566%0.66258%0.581SS**THydrogen-bonded Turntrans-53.5-15.7-176-25.732.6000115.4H240P237-H240 PolarHBondContact O-ND1 2.76Å
238N30.2Very low42.8Very low148 Ų148115.3 Ų115.379%0.79162%0.621SS**THydrogen-bonded Turntrans-85.1-5-176.6-67.8-7.9000115.2S236 H240S236-N238 PolarHBondContact O-N 3.38Å; N238-H240 VanDerWaalsContact C-N 3.32Å; N238-H240 PolarHBondContact O-N 3.26Å
239D32.5Very low39.5Very low128 Ų128118 Ų11868%0.68465%0.649SS**  trans-91.663.7172.7-100.9-19.3000111.4S236S236-D239 PolarHBondContact O-N 2.75Å
240H31.4Very low36.2Very low166 Ų166123.9 Ų123.977%0.76969%0.69SS**  trans-101.225171.8-85.874.3000113.1P237 N238P237-H240 PolarHBondContact O-ND1 2.76Å; N238-H240 VanDerWaalsContact C-N 3.32Å; N238-H240 PolarHBondContact O-N 3.26Å
241Q27.6Very low33.2Very low183 Ų183130.1 Ų130.186%0.85573%0.728SS**SBendtrans-135.26.3-179.8-74.8-165.2-1500117.3
242N24.8Very low31Very low123 Ų123130 Ų13066%0.65874%0.736SS**  trans-125.979.3170.6-82.1-32.9000111.1L244N242-L244 HydrophobicContact CB-CD1 4.26Å; N242-L244 PolarHBondContact O-N 3.49Å
243E27.7Very low29.4Very low193 Ų193126.3 Ų126.390%0.90274%0.739SS**  trans-6659.1152.9-161177.3-162.500108.9T245E243-T245 VanDerWaalsContact C-N 3.32Å; E243-T245 PolarHBondContact O-N 2.81Å; E243-T245 VanDerWaalsContact O-N 3.12Å
244L27.7Very low28.4Very low127 Ų127124.5 Ų124.567%0.66574%0.742SS**  trans-83.589.7170.4-97.5157.7000106.7N242 L246N242-L244 HydrophobicContact CB-CD1 4.26Å; N242-L244 PolarHBondContact O-N 3.49Å; L244-L246 PolarHBondContact O-N 2.85Å
245T23.5Very low27.9Very low100 Ų100125.9 Ų125.961%0.61374%0.74SS**  trans-21.6101.8151.950.40000111.2E243 K247E243-T245 VanDerWaalsContact C-N 3.32Å; E243-T245 PolarHBondContact O-N 2.81Å; E243-T245 VanDerWaalsContact O-N 3.12Å; T245-K247 PolarHBondContact O-N 2.78Å
246L27.1Very low27.6Very low177 Ų177127.2 Ų127.293%0.92774%0.744SS**  trans-67.369.8155.5-98.6147.8000106.9L244 C248L244-L246 PolarHBondContact O-N 2.85Å; L246-C248 VanDerWaalsContact C-N 3.28Å; L246-C248 PolarHBondContact O-N 3.48Å
247K22.8Very low27.5Very low176 Ų176130.2 Ų130.277%0.76575%0.754SS**  trans-61.6101.4154.4-85.5179.9174.7176.20104.8T245 G249T245-K247 PolarHBondContact O-N 2.78Å; K247-G249 PolarHBondContact O-N 2.85Å
248C27.9Very low27.4Very low122 Ų122133 Ų13382%0.82476%0.764SS**  trans-44.7110.4158.3-172.90000106.2L246 S250L246-C248 VanDerWaalsContact C-N 3.28Å; L246-C248 PolarHBondContact O-N 3.48Å; C248-S250 PolarHBondContact O-N 3.45Å; C248-S250 VanDerWaalsContact O-N 3.09Å
249G27Very low27.2Very low57 Ų57134.7 Ų134.759%0.58877%0.766SS**  trans-51122-17300000109.2K247 V251K247-G249 PolarHBondContact O-N 2.85Å; G249-V251 VanDerWaalsContact C-N 3.28Å; G249-V251 PolarHBondContact O-N 2.99Å
250S24.7Very low27Very low124 Ų124137.1 Ų137.187%0.86777%0.774SS**  trans-53.2100.6159.6-56.60000106.7C248 G252C248-S250 PolarHBondContact O-N 3.45Å; C248-S250 VanDerWaalsContact O-N 3.09Å; S250-G252 PolarHBondContact O-N 2.81Å
251V29.3Very low26.9Very low143 Ų143134.3 Ų134.387%0.86777%0.773SS**  trans-6993.9165.1-179.70000104.7G249 S253G249-V251 VanDerWaalsContact C-N 3.28Å; G249-V251 PolarHBondContact O-N 2.99Å; V251-S253 PolarHBondContact O-N 3.47Å
252G27.8Very low26.9Very low57 Ų57135.2 Ų135.259%0.58877%0.774SS**  trans-56128169.800000109.1S250 T254S250-G252 PolarHBondContact O-N 2.81Å; G252-T254 PolarHBondContact O-N 2.87Å; G252-T254 VanDerWaalsContact O-N 3.15Å
253S25.9Very low27Very low122 Ų122137.1 Ų137.185%0.85378%0.784SS**  trans-50.3108.4165.5-540000111V251V251-S253 PolarHBondContact O-N 3.47Å
254T25.3Very low26.9Very low125 Ų125138.9 Ų138.977%0.76778%0.782SS**  trans-148.6106.4151.248.20000109.5G252G252-T254 PolarHBondContact O-N 2.87Å; G252-T254 VanDerWaalsContact O-N 3.15Å
255S28Very low26.8Very low101 Ų101138.3 Ų138.371%0.70679%0.786SS**  trans34.9116.8142.355.80000120.3
256V27.5Very low27.1Very low123 Ų123143.4 Ų143.475%0.74580%0.8SS**  trans30.5132.3130.6-130.50000119.1
257D27.5Very low26.9Very low137 Ų137139.8 Ų139.873%0.73379%0.79SS**  trans75.989.9161.1-51.3-33000116.7
258D28.8Very low27.3Very low162 Ų162136.2 Ų136.287%0.86679%0.785SS**  175.4113.8109.8-92.3-28.4000111.4Q260D258-Q260 PolarHBondContact O-N 2.87Å; D258-Q260 VanDerWaalsContact O-N 3.17Å
259E27.7Very low27.7Very low182 Ų182138 Ų13885%0.8579%0.786SS**  trans-62.3103.9156.9-73.2-174148.200109.1
260Q27.4Very low28.1Very low180 Ų180139.7 Ų139.784%0.84178%0.781SS**  trans161.4133.7134.2-87.9161.635.500109.8D258D258-Q260 PolarHBondContact O-N 2.87Å; D258-Q260 VanDerWaalsContact O-N 3.17Å
261S28.3Very low28.8Very low107 Ų107138 Ų13875%0.74877%0.766SS**  trans80.592.8170-1640000116.3
262K28.8Very low29.4Very low201 Ų201134.7 Ų134.787%0.87475%0.748SS**  -163.778.9117.5-99.5158.9-168.1178.10111.2R264K262-R264 VanDerWaalsContact C-N 3.3Å; K262-R264 PolarHBondContact O-N 3.35Å
263N26.6Very low30.7Very low163 Ų163138.2 Ų138.287%0.87275%0.753SS**  trans-51.790.3148-74.6-33.2000110.3
264R24.8Very low33.4Very low230 Ų230134 Ų13487%0.86872%0.724SS**  trans-114.8109.1144.2-84.2-166.5-178-148.91.5107.3K262 F266K262-R264 VanDerWaalsContact C-N 3.3Å; K262-R264 PolarHBondContact O-N 3.35Å; R264-F266 PolarHBondContact O-N 3.49Å
265P27.2Very low36.5Very low116 Ų116129.5 Ų129.575%0.75370%0.695SS**  trans-64126176.827.7-29.6000106.7S267P265-S267 VanDerWaalsContact C-N 3.29Å; P265-S267 PolarHBondContact O-N 2.84Å
266F28.4Very low39.7Very low206 Ų206125.6 Ų125.690%0.90467%0.667SS**  trans-50.8109.6148.2-88-92.8000105R264 P268R264-F266 PolarHBondContact O-N 3.49Å; F266-P268 WeakPolarHBondContact O-CD 3.27Å; F266-P268 VanDerWaalsContact O-N 3.08Å
267S24Very low43Very low102 Ų102121 Ų12171%0.71364%0.64SS**  trans-48121.1164.8-179.30000105.4P265 L269P265-S267 VanDerWaalsContact C-N 3.29Å; P265-S267 PolarHBondContact O-N 2.84Å; S267-L269 VanDerWaalsContact C-N 3.32Å; S267-L269 PolarHBondContact O-N 2.88Å
268P30.5Very low46.2Very low101 Ų101118.8 Ų118.866%0.65663%0.628SS**  trans-58.8107174.9-10.622.4000105.1F266 D270F266-P268 WeakPolarHBondContact O-CD 3.27Å; F266-P268 VanDerWaalsContact O-N 3.08Å; P268-D270 PolarHBondContact O-N 3.12Å
269L36.2Very low49.5Very low160 Ų160111.8 Ų111.884%0.83859%0.591SS**  trans-50.8115163.9-172.472.9000104.3S267 T271S267-L269 VanDerWaalsContact C-N 3.32Å; S267-L269 PolarHBondContact O-N 2.88Å; L269-T271 PolarHBondContact O-N 2.89Å
270D35.1Very low52.7Low92 Ų92104.7 Ų104.749%0.49256%0.56SS.*  trans-4297.3-162.5-172.2-5000111.5P268 S272 L273P268-D270 PolarHBondContact O-N 3.12Å; D270-S272 VanDerWaalsContact CG-OG 3.22Å; D270-S272 PolarHBondContact O-N 3.23Å; D270-S272 VanDerWaalsContact OD1-CB 3.26Å; D270-S272 WeakPolarHBondContact OD1-CB 3.28Å; D270-S272 PolarHBondContact OD1-N 2.77Å; D270-S272 PolarHBondContact OD1-OG 3.12Å; D270-S272 PolarHBondContact OD2-OG 3.41Å; D270-L273 HydrophobicContact CB-CD1 4Å; D270-L273 HydrophobicContact CB-CG 4.36Å; D270-L273 WeakPolarHBondContact O-CB 3.45Å; D270-L273 PolarHBondContact O-N 2.92Å
271T39.8Very low55.9Low89 Ų8998.4 Ų98.455%0.54653%0.53SS..G310 helixtrans-62.9-14.7-174.348.20000111.8L269 L273 S274L269-T271 PolarHBondContact O-N 2.89Å; T271-L273 VanDerWaalsContact C-N 3.29Å; T271-L273 PolarHBondContact O-N 3.43Å; T271-S274 PolarHBondContact O-N 3.39Å; T271-S274 PolarHBondContact O-OG 3.37Å
272S41.8Very low59.1Low72 Ų7293.3 Ų93.350%0.50350%0.495SS..G310 helixtrans-65.3-30.2173.180.60000112.8D270 S274D270-S272 VanDerWaalsContact CG-OG 3.22Å; D270-S272 PolarHBondContact O-N 3.23Å; D270-S272 VanDerWaalsContact OD1-CB 3.26Å; D270-S272 WeakPolarHBondContact OD1-CB 3.28Å; D270-S272 PolarHBondContact OD1-N 2.77Å; D270-S272 PolarHBondContact OD1-OG 3.12Å; D270-S272 PolarHBondContact OD2-OG 3.41Å; S272-S274 PolarHBondContact O-N 3.42Å
273L55.8Low62.1Low131 Ų13191.6 Ų91.669%0.68649%0.487SS*.G310 helixtrans-70.8-13.7179.4-71.6167000113.5D270 T271D270-L273 HydrophobicContact CB-CD1 4Å; D270-L273 HydrophobicContact CB-CG 4.36Å; D270-L273 WeakPolarHBondContact O-CB 3.45Å; D270-L273 PolarHBondContact O-N 2.92Å; T271-L273 VanDerWaalsContact C-N 3.29Å; T271-L273 PolarHBondContact O-N 3.43Å
274S81.5Confident65.2Low35 Ų3586.5 Ų86.525%0.24546%0.462CS..G310 helixtrans-82.1-25.8-178.9750000113.5N223 N224 T271 S272N223-S274 WeakPolarHBondContact CB-O 3.29Å; N224-S274 PolarHBondContact OD1-OG 3.36Å; T271-S274 PolarHBondContact O-N 3.39Å; T271-S274 PolarHBondContact O-OG 3.37Å; S272-S274 PolarHBondContact O-N 3.42Å
275N91.9Very high68.5Low29 Ų2975.8 Ų75.816%0.15542%0.422CS..  trans-75.2145-175-52.1-56.1000111G221 S222G221-N275 CarbonylContact O-C 3.56Å; G221-N275 WeakPolarHBondContact O-CA 3.07Å; S222-N275 VanDerWaalsContact CA-OD1 3.29Å; S222-N275 WeakPolarHBondContact CA-OD1 3.38Å
276V94.8Very high71.4Confident20 Ų2077.9 Ų77.912%0.12142%0.415CS..EExtended strand (participates in β ladder)trans-119.8112.3-175.3175.90000109W220 G221 L228 L230 I278 T280W220-V276 CarbonylContact C-O 3.49Å; W220-V276 WeakPolarHBondContact CA-O 3.3Å; W220-V276 HydrophobicContact CB-CG1 4.41Å; W220-V276 WeakPolarHBondContact CB-O 3.4Å; G221-V276 PolarHBondContact N-O 3.38Å; G221-V276 PolarHBondContact O-N 2.88Å; L228-V276 HydrophobicContact CD1-CB 3.74Å; L228-V276 HydrophobicContact CD1-CG2 3.76Å; L230-V276 HydrophobicContact CD1-CB 4.48Å; L230-V276 HydrophobicContact CD1-CG1 4.36Å; L230-V276 HydrophobicContact CD1-CG2 3.91Å; V276-I278 WeakPolarHBondContact CG1-O 3.32Å; V276-T280 WeakPolarHBondContact CG1-OG1 3.31Å
277S95.7Very high74.2Confident26 Ų2671.4 Ų71.418%0.18241%0.406CS..EExtended strand (participates in β ladder)trans-90.7-5.7-177.760.10000114.6G175 L176 G177 Y178G175-S277 CarbonylContact C-O 3.22Å; G175-S277 WeakPolarHBondContact CA-O 3.48Å; L176-S277 PolarHBondContact N-O 3.12Å; G177-S277 VanDerWaalsContact C-OG 3.31Å; G177-S277 WeakPolarHBondContact CA-O 3.31Å; G177-S277 PolarHBondContact N-O 3.07Å; G177-S277 PolarHBondContact O-OG 2.93Å; Y178-S277 WeakPolarHBondContact O-CB 3.32Å
278I95.9Very high77.5Confident91 Ų9168.2 Ų68.247%0.46738%0.383SS..EExtended strand (participates in β ladder)trans-116.4128.4179.6-61.2169.5000108.4V276 T280V276-I278 WeakPolarHBondContact CG1-O 3.32Å; I278-T280 PolarHBondContact O-N 2.81Å; I278-T280 PolarHBondContact O-OG1 3.28Å
279P97.5Very high80.4Confident14 Ų1465.7 Ų65.79%0.09136%0.362CS..EExtended strand (participates in β ladder)trans-47.9113.4172.2-28.133.2000112.7G175 I190 C192 L193 W220G175-P279 WeakPolarHBondContact O-CD 3.33Å; I190-P279 HydrophobicContact CG2-CG 3.82Å; C192-P279 VanDerWaalsContact SG-CD 3.56Å; L193-P279 HydrophobicContact CD1-CB 4.31Å; L193-P279 HydrophobicContact CD1-CG 3.99Å; L193-P279 HydrophobicContact CD2-CB 3.59Å; L193-P279 HydrophobicContact CD2-CG 4.09Å; L193-P279 HydrophobicContact CG-CB 4.01Å; L193-P279 HydrophobicContact CG-CG 3.92Å; W220-P279 HydrophobicContact CD2-CB 4.1Å; W220-P279 HydrophobicContact CD2-CG 3.8Å; W220-P279 HydrophobicContact CE3-CB 3.51Å; W220-P279 HydrophobicContact CE3-CG 3.69Å; W220-P279 HydrophobicContact CG-CG 4.29Å; W220-P279 HydrophobicContact CH2-CG 4.5Å; W220-P279 HydrophobicContact CZ3-CB 3.87Å; W220-P279 HydrophobicContact CZ3-CG 4.06Å
280T95.5Very high83.3Confident34 Ų3458 Ų5821%0.20932%0.322CS..EExtended strand (participates in β ladder)trans-118.5133.9-170.8-63.60000110.6Y218 A219 L230 F233 V276 I278 V282Y218-T280 CarbonylContact C-O 3.49Å; Y218-T280 WeakPolarHBondContact CA-O 3.48Å; A219-T280 PolarHBondContact N-O 3.48Å; A219-T280 PolarHBondContact O-N 2.87Å; L230-T280 HydrophobicContact CD1-CG2 3.97Å; L230-T280 HydrophobicContact CD2-CG2 3.94Å; F233-T280 HydrophobicContact CE2-CG2 4.44Å; V276-T280 WeakPolarHBondContact CG1-OG1 3.31Å; I278-T280 PolarHBondContact O-N 2.81Å; I278-T280 PolarHBondContact O-OG1 3.28Å; T280-V282 PolarHBondContact O-N 3.34Å
281F94.7Very high86.2Confident47 Ų4753.7 Ų53.721%0.20630%0.299CS..EExtended strand (participates in β ladder)trans-68.6126.8-176.9-179.9-118.1000112.6L217 Y218 K283 R286L217-F281 WeakPolarHBondContact O-CA 3.31Å; L217-F281 WeakPolarHBondContact O-CD2 3.43Å; Y218-F281 HydrophobicContact CD1-CB 4.14Å; Y218-F281 HydrophobicContact CE1-CB 3.83Å; Y218-F281 HydrophobicContact CE1-CD2 4.36Å; Y218-F281 HydrophobicContact CE2-CD2 4.1Å; Y218-F281 AromaticContact CZ-CD2 4Å; F281-K283 HydrophobicContact CD1-CB 4.47Å; F281-K283 HydrophobicContact CD1-CG 3.64Å; F281-K283 HydrophobicContact CE1-CB 4.45Å; F281-K283 HydrophobicContact CE1-CG 3.97Å; F281-K283 PolarHBondContact O-N 2.92Å; F281-K283 VanDerWaalsContact O-N 3.09Å; F281-R286 HydrophobicContact CE1-CB 4.3Å; F281-R286 HydrophobicContact CE1-CG 4.41Å; F281-R286 HydrophobicContact CZ-CB 3.98Å; F281-R286 HydrophobicContact CZ-CG 4.02Å
282V94.6Very high89Confident1 Ų151.1 Ų51.11%0.00628%0.28CS..  trans-82.683.6178.8-173.90000109.8L217 A219 L228 L230 T280 T284 L285 P332L217-V282 HydrophobicContact CB-CB 4.2Å; L217-V282 HydrophobicContact CB-CG2 4.35Å; L217-V282 HydrophobicContact CD2-CB 4.26Å; L217-V282 HydrophobicContact CD2-CG2 4.06Å; L217-V282 HydrophobicContact CG-CB 4.21Å; L217-V282 HydrophobicContact CG-CG2 3.88Å; L217-V282 PolarHBondContact O-N 3.29Å; A219-V282 HydrophobicContact CB-CG2 3.59Å; L228-V282 WeakPolarHBondContact O-CG2 3.48Å; L230-V282 HydrophobicContact CD2-CG2 4.03Å; T280-V282 PolarHBondContact O-N 3.34Å; V282-T284 WeakPolarHBondContact CG1-OG1 3.36Å; V282-T284 PolarHBondContact O-N 2.89Å; V282-L285 HydrophobicContact CG1-CB 4.45Å; V282-L285 HydrophobicContact CG1-CD1 4.23Å; V282-L285 HydrophobicContact CG1-CG 4.37Å; V282-L285 PolarHBondContact O-N 2.68Å; V282-P332 HydrophobicContact CG1-CG 4.43Å
283K92Very high91.6Very high165 Ų16547.8 Ų47.872%0.71726%0.256SS*.G310 helixtrans-58.7-30.9-174.7-66.7176.7-177.51760114.1F281 L285 R286F281-K283 HydrophobicContact CD1-CB 4.47Å; F281-K283 HydrophobicContact CD1-CG 3.64Å; F281-K283 HydrophobicContact CE1-CB 4.45Å; F281-K283 HydrophobicContact CE1-CG 3.97Å; F281-K283 PolarHBondContact O-N 2.92Å; F281-K283 VanDerWaalsContact O-N 3.09Å; K283-L285 VanDerWaalsContact C-N 3.25Å; K283-L285 PolarHBondContact O-N 2.68Å; K283-R286 WeakPolarHBondContact O-CB 3.34Å; K283-R286 PolarHBondContact O-N 3.11Å; K283-R286 VanDerWaalsContact O-N 3.14Å
284T92.1Very high93.6Very high56 Ų5642.1 Ų42.134%0.34423%0.228SC..G310 helixtrans-65.8-24-176.945.60000113.6G229 V282 V331 P332G229-T284 PolarHBondContact O-OG1 3.44Å; V282-T284 WeakPolarHBondContact CG1-OG1 3.36Å; V282-T284 PolarHBondContact O-N 2.89Å; T284-V331 HydrophobicContact CG2-CG1 4.13Å; T284-P332 VanDerWaalsContact OG1-CD 3.29Å; T284-P332 WeakPolarHBondContact OG1-CD 3.5Å; T284-P332 WeakPolarHBondContact OG1-CG 3.32Å
285L92.9Very high94.4Very high4 Ų441.3 Ų41.32%0.02122%0.222CC..G310 helixtrans-101.97.4176.2-69.7173.1000113L217 V282 K283 G287 C288 V290 A302 F310 F312 P332L217-L285 HydrophobicContact CD2-CD1 3.95Å; V282-L285 HydrophobicContact CG1-CB 4.45Å; V282-L285 HydrophobicContact CG1-CD1 4.23Å; V282-L285 HydrophobicContact CG1-CG 4.37Å; V282-L285 PolarHBondContact O-N 2.68Å; K283-L285 VanDerWaalsContact C-N 3.25Å; K283-L285 PolarHBondContact O-N 2.68Å; L285-G287 PolarHBondContact O-N 3.34Å; L285-C288 HydrophobicContact CD2-CB 4.4Å; L285-C288 WeakPolarHBondContact O-CB 3.45Å; L285-C288 PolarHBondContact O-N 3.02Å; L285-C288 VanDerWaalsContact O-N 3.16Å; L285-V290 HydrophobicContact CB-CG2 4.15Å; L285-V290 HydrophobicContact CD1-CG2 4.33Å; L285-A302 HydrophobicContact CD1-CB 4.23Å; L285-F310 HydrophobicContact CD2-CB 4.11Å; L285-F310 HydrophobicContact CD2-CD1 3.77Å; L285-F310 HydrophobicContact CD2-CD2 4.34Å; L285-F310 HydrophobicContact CD2-CE1 4.22Å; L285-F310 HydrophobicContact CD2-CG 3.83Å; L285-F312 HydrophobicContact CD1-CE1 4.01Å; L285-F312 HydrophobicContact CD1-CZ 4.38Å; L285-P332 HydrophobicContact CD1-CB 4.01Å; L285-P332 HydrophobicContact CD1-CG 3.93Å; L285-P332 HydrophobicContact CD2-CB 3.66Å; L285-P332 HydrophobicContact CD2-CG 4.31Å; L285-P332 HydrophobicContact CG-CB 3.78Å; L285-P332 HydrophobicContact CG-CG 3.85Å
286R89.6Confident94.6Very high161 Ų16140.2 Ų40.261%0.60822%0.218SC*.THydrogen-bonded Turntrans-62.5129176.2-174.2-179.5-177.7-162.5-4109.5F281 K283 C288F281-R286 HydrophobicContact CE1-CB 4.3Å; F281-R286 HydrophobicContact CE1-CG 4.41Å; F281-R286 HydrophobicContact CZ-CB 3.98Å; F281-R286 HydrophobicContact CZ-CG 4.02Å; K283-R286 WeakPolarHBondContact O-CB 3.34Å; K283-R286 PolarHBondContact O-N 3.11Å; K283-R286 VanDerWaalsContact O-N 3.14Å; R286-C288 VanDerWaalsContact C-N 3.25Å; R286-C288 PolarHBondContact O-N 3.48Å
287G86.3Confident94.7Very high69 Ų6940.5 Ų40.571%0.71122%0.218SC*.THydrogen-bonded Turntrans80.2-1.2-179.400000114.6L285 E289L285-G287 PolarHBondContact O-N 3.34Å; G287-E289 PolarHBondContact O-N 2.84Å
288C92.4Very high94.8Very high35 Ų3539.9 Ų39.924%0.23621%0.213CC..SBendtrans-79.9-1.8175-60.40000113.5L285 R286 V290 T304 F310L285-C288 HydrophobicContact CD2-CB 4.4Å; L285-C288 WeakPolarHBondContact O-CB 3.45Å; L285-C288 PolarHBondContact O-N 3.02Å; L285-C288 VanDerWaalsContact O-N 3.16Å; R286-C288 VanDerWaalsContact C-N 3.25Å; R286-C288 PolarHBondContact O-N 3.48Å; C288-V290 HydrophobicContact CB-CG2 4.4Å; C288-V290 PolarHBondContact O-N 3.28Å; C288-T304 HydrophobicContact CB-CG2 4.07Å; C288-T304 WeakPolarHBondContact O-CB 3.35Å; C288-T304 WeakPolarHBondContact O-CG2 3.14Å; C288-F310 HydrophobicContact CB-CE2 4.49Å
289E93.3Very high94.9Very high48 Ų4835.6 Ų35.622%0.22419%0.191CC..  trans54.150.5-178.9-54-178.8174.200112.7G287 V291 T304 R305 N531 F534G287-E289 PolarHBondContact O-N 2.84Å; E289-V291 PolarHBondContact O-N 2.88Å; E289-T304 CarbonylContact O-C 3.58Å; E289-T304 WeakPolarHBondContact O-CA 3.25Å; E289-R305 HydrophobicContact CB-CB 4Å; E289-R305 PolarHBondContact O-N 3.49Å; E289-N531 VanDerWaalsContact OE1-CB 3.28Å; E289-N531 WeakPolarHBondContact OE1-CB 3.43Å; E289-N531 VanDerWaalsContact OE1-CG 3.27Å; E289-N531 PolarHBondContact OE1-ND2 3.48Å; E289-N531 PolarHBondContact OE2-ND2 3.16Å; E289-F534 HydrophobicContact CB-CD1 3.88Å; E289-F534 HydrophobicContact CB-CE1 4.12Å; E289-F534 HydrophobicContact CB-CG 4.43Å; E289-F534 HydrophobicContact CG-CB 4.14Å; E289-F534 HydrophobicContact CG-CD1 3.99Å; E289-F534 HydrophobicContact CG-CG 4.13Å
290V96.3Very high94.9Very high0 Ų034.9 Ų34.90%019%0.186CC..EExtended strand (participates in β ladder)trans-62.8129.4176.1-178.60000109.4L211 G215 L285 C288 L293 A302 T304L211-V290 HydrophobicContact CD1-CB 4.05Å; L211-V290 HydrophobicContact CD1-CG1 3.83Å; L211-V290 HydrophobicContact CD2-CG1 4.26Å; G215-V290 WeakPolarHBondContact CA-O 3.42Å; L285-V290 HydrophobicContact CB-CG2 4.15Å; L285-V290 HydrophobicContact CD1-CG2 4.33Å; C288-V290 HydrophobicContact CB-CG2 4.4Å; C288-V290 PolarHBondContact O-N 3.28Å; V290-L293 HydrophobicContact CG1-CG 4.48Å; V290-A302 HydrophobicContact CG1-CB 4.05Å; V290-A302 HydrophobicContact CG2-CB 4.43Å; V290-T304 HydrophobicContact CG2-CG2 4.22Å
291V95.8Very high95.1Very high0 Ų033.3 Ų33.30%018%0.177CC..EExtended strand (participates in β ladder)trans-122.1-19.5-176.1-70.40000112.9R199 L211 E289 L303 R305 R446 F534R199-V291 PolarHBondContact NE-O 3.04Å; R199-V291 PolarHBondContact NH2-O 3.38Å; R199-V291 VanDerWaalsContact NH2-O 3.16Å; L211-V291 VanDerWaalsContact CD2-C 3.44Å; L211-V291 WeakPolarHBondContact CD2-O 3.07Å; E289-V291 PolarHBondContact O-N 2.88Å; V291-L303 HydrophobicContact CG2-CG 4.45Å; V291-L303 VanDerWaalsContact CG2-O 3.31Å; V291-L303 WeakPolarHBondContact CG2-O 3.45Å; V291-L303 PolarHBondContact N-O 3.01Å; V291-R305 HydrophobicContact CG1-CB 3.83Å; V291-R305 HydrophobicContact CG1-CG 4.38Å; V291-R446 HydrophobicContact CG2-CB 3.78Å; V291-R446 HydrophobicContact CG2-CG 3.83Å; V291-F534 HydrophobicContact CG1-CE1 4.24Å; V291-F534 HydrophobicContact CG1-CZ 3.95Å
292Y97.7Very high95.2Very high36 Ų3631 Ų3114%0.14117%0.167CC..EExtended strand (participates in β ladder)trans-150.2152.3179.3-165.2-86.4000111.5R200 L303 I346 L445R200-Y292 PolarHBondContact NH1-OH 3.37Å; Y292-L303 PolarHBondContact N-O 3.29Å; Y292-L303 PolarHBondContact O-N 2.89Å; Y292-I346 HydrophobicContact CD1-CD1 3.98Å; Y292-I346 HydrophobicContact CD1-CG1 3.65Å; Y292-I346 HydrophobicContact CE1-CG1 4.02Å; Y292-L445 HydrophobicContact CD1-CD1 4.33Å; Y292-L445 HydrophobicContact CD2-CB 3.58Å; Y292-L445 HydrophobicContact CD2-CD1 4.26Å; Y292-L445 HydrophobicContact CD2-CG 4.34Å; Y292-L445 HydrophobicContact CE1-CD1 3.87Å; Y292-L445 HydrophobicContact CE2-CB 3.74Å; Y292-L445 HydrophobicContact CE2-CD1 3.69Å; Y292-L445 HydrophobicContact CE2-CD2 3.97Å; Y292-L445 HydrophobicContact CE2-CG 3.99Å; Y292-L445 HydrophobicContact CG-CB 4.02Å
293L97.7Very high95.4Very high2 Ų231 Ų311%0.0117%0.166CC..EExtended strand (participates in β ladder)trans-136.4144178.1-87.4172.6000110.6V202 F209 L211 L217 V290 T300 V301 A302V202-L293 HydrophobicContact CG2-CB 3.75Å; F209-L293 HydrophobicContact CB-CD1 4.03Å; F209-L293 HydrophobicContact CD1-CD1 4.46Å; F209-L293 HydrophobicContact CG-CD1 4.24Å; L211-L293 HydrophobicContact CB-CD1 4.48Å; L217-L293 HydrophobicContact CD1-CD1 3.22Å; L217-L293 HydrophobicContact CD2-CD1 3.95Å; L217-L293 HydrophobicContact CD2-CD2 4.34Å; L217-L293 HydrophobicContact CG-CD1 4.21Å; V290-L293 HydrophobicContact CG1-CG 4.48Å; L293-T300 HydrophobicContact CD2-CG2 3.64Å; L293-V301 WeakPolarHBondContact CA-O 3.15Å; L293-V301 WeakPolarHBondContact CD2-O 3.46Å; L293-A302 HydrophobicContact CD2-CB 3.65Å
294A97.8Very high95.6Very high11 Ų1123.2 Ų23.29%0.09113%0.133CC..EExtended strand (participates in β ladder)trans-133.1143.3165.500000108.9V301 I346 C348A294-V301 PolarHBondContact N-O 2.94Å; A294-V301 PolarHBondContact O-N 3.47Å; A294-I346 HydrophobicContact CB-CD1 4.14Å; A294-I346 HydrophobicContact CB-CG1 4.28Å; A294-C348 HydrophobicContact CB-CB 4.27Å
295C97.8Very high95.6Very high19 Ų1925 Ų2513%0.12813%0.133CC..EExtended strand (participates in β ladder)trans-124.8139.2177.9-67.10000109.2V202 F209 H299 C348V202-C295 HydrophobicContact CG1-CB 3.95Å; V202-C295 VanDerWaalsContact CG1-SG 3.56Å; F209-C295 WeakPolarHBondContact CE2-SG 3.31Å; C295-H299 WeakPolarHBondContact CA-O 3.32Å; C295-C348 VanDerWaalsContact C-CB 3.48Å; C295-C348 WeakPolarHBondContact O-CB 3.36Å
296G97Very high95.7Very high6 Ų628.9 Ų28.96%0.06215%0.154CC..  trans-91.8-157160.800000111.3G204 G205 H299 G349G204-G296 WeakPolarHBondContact CA-O 3.4Å; G205-G296 PolarHBondContact N-O 2.84Å; G296-H299 PolarHBondContact N-O 2.84Å; G296-G349 WeakPolarHBondContact CA-O 3.38Å
297E96.9Very high95.9Very high26 Ų2621.3 Ų21.312%0.12113%0.126CC..SBendtrans-68.2-44.4-178.9-170.5163.2-161.800111.4Y51 G205 W206 R350 F351Y51-E297 WeakPolarHBondContact OH-CG 3.38Å; Y51-E297 PolarHBondContact OH-OE1 2.81Å; Y51-E297 PolarHBondContact OH-OE2 2.85Å; G205-E297 WeakPolarHBondContact CA-O 3.11Å; G205-E297 PolarHBondContact N-O 3.09Å; W206-E297 HydrophobicContact CH2-CG 4.04Å; W206-E297 WeakPolarHBondContact CH2-OE1 3.04Å; W206-E297 HydrophobicContact CZ3-CG 3.71Å; E297-R350 HydrophobicContact CB-CB 4.45Å; E297-R350 PolarHBondContact N-O 2.87Å; E297-F351 HydrophobicContact CB-CE1 4.32Å; E297-F351 WeakPolarHBondContact OE2-CZ 3.37Å
298T96.9Very high96.5Very high13 Ų1318.2 Ų18.28%0.089%0.094CC..SBendtrans-133.616.4-174.3540000114.1W206 Y225 Q227 A314W206-T298 HydrophobicContact CZ3-CG2 4.1Å; Y225-T298 HydrophobicContact CD2-CG2 3.91Å; Y225-T298 HydrophobicContact CE2-CG2 3.77Å; Q227-T298 WeakPolarHBondContact CB-O 3.47Å; T298-A314 PolarHBondContact O-N 2.72Å; T298-A314 VanDerWaalsContact OG1-CB 3.29Å; T298-A314 WeakPolarHBondContact OG1-CB 3.37Å
299H97.7Very high96.7Very high0 Ų016.6 Ų16.60%08%0.083CC..EExtended strand (participates in β ladder)trans-143.4159.1178.473.4-74.2000112C295 G296 F312 Q319 L320 T353C295-H299 WeakPolarHBondContact CA-O 3.32Å; G296-H299 PolarHBondContact N-O 2.84Å; H299-F312 WeakPolarHBondContact CA-O 3.48Å; H299-Q319 HydrophobicContact CB-CG 4.28Å; H299-L320 HydrophobicContact CB-CD2 4.01Å; H299-T353 PolarHBondContact NE2-OG1 3.38Å; H299-T353 VanDerWaalsContact NE2-OG1 3.16Å
300T98.5Very high97Very high0 Ų015.7 Ų15.70%08%0.078CC..EExtended strand (participates in β ladder)trans-131.2141-177.1-58.70000110.4H207 F209 Q227 L293 T311 F312H207-T300 PolarHBondContact NE2-OG1 3.3Å; F209-T300 HydrophobicContact CE1-CG2 4.46Å; F209-T300 HydrophobicContact CE2-CG2 3.83Å; F209-T300 WeakPolarHBondContact CE2-OG1 3.21Å; F209-T300 HydrophobicContact CZ-CG2 3.76Å; F209-T300 WeakPolarHBondContact CZ-OG1 3.2Å; Q227-T300 PolarHBondContact O-OG1 2.88Å; L293-T300 HydrophobicContact CD2-CG2 3.64Å; T300-T311 WeakPolarHBondContact O-CA 3.22Å; T300-F312 VanDerWaalsContact CB-CE2 3.45Å; T300-F312 HydrophobicContact CG2-CE1 3.91Å; T300-F312 HydrophobicContact CG2-CE2 3.68Å; T300-F312 HydrophobicContact CG2-CZ 3.31Å; T300-F312 PolarHBondContact N-O 3.06Å; T300-F312 PolarHBondContact O-N 2.91Å; T300-F312 VanDerWaalsContact O-N 3.12Å
301V98.4Very high97.1Very high0 Ų015.7 Ų15.70%08%0.078CC..EExtended strand (participates in β ladder)trans-127.6120.9-179.9-171.30000108.7L293 A294 V309 F310 T311 I346 C348 T353L293-V301 WeakPolarHBondContact CA-O 3.15Å; L293-V301 WeakPolarHBondContact CD2-O 3.46Å; A294-V301 PolarHBondContact N-O 2.94Å; A294-V301 PolarHBondContact O-N 3.47Å; V301-V309 HydrophobicContact CG1-CG1 3.53Å; V301-F310 CarbonylContact C-O 3.4Å; V301-F310 WeakPolarHBondContact CA-O 3.02Å; V301-T311 HydrophobicContact CB-CG2 4.29Å; V301-T311 HydrophobicContact CG1-CG2 3.93Å; V301-T311 HydrophobicContact CG2-CG2 3.93Å; V301-I346 HydrophobicContact CB-CD1 4.05Å; V301-I346 HydrophobicContact CG1-CB 4.31Å; V301-I346 HydrophobicContact CG1-CD1 3.69Å; V301-I346 HydrophobicContact CG1-CG2 4.26Å; V301-I346 VanDerWaalsContact O-CD1 3.27Å; V301-I346 WeakPolarHBondContact O-CD1 3.47Å; V301-C348 WeakPolarHBondContact CG2-SG 3.41Å; V301-T353 HydrophobicContact CG1-CG2 4.15Å; V301-T353 HydrophobicContact CG2-CG2 3.76Å
302A98.4Very high97.1Very high0 Ų015.7 Ų15.70%08%0.078CC..EExtended strand (participates in β ladder)trans-109.7131.6178.200000110.7L285 V290 L293 V309 F310L285-A302 HydrophobicContact CD1-CB 4.23Å; V290-A302 HydrophobicContact CG1-CB 4.05Å; V290-A302 HydrophobicContact CG2-CB 4.43Å; L293-A302 HydrophobicContact CD2-CB 3.65Å; A302-V309 CarbonylContact O-C 3.48Å; A302-V309 WeakPolarHBondContact O-CA 3.36Å; A302-F310 HydrophobicContact CB-CB 4.31Å; A302-F310 PolarHBondContact N-O 3.21Å; A302-F310 PolarHBondContact O-N 3.31Å
303L98.3Very high97.1Very high0 Ų014 Ų140%07%0.072CC..EExtended strand (participates in β ladder)trans-107.1129175.3172.366.8000109V291 Y292 G308 V309 V343 I346 R446V291-L303 HydrophobicContact CG2-CG 4.45Å; V291-L303 VanDerWaalsContact CG2-O 3.31Å; V291-L303 WeakPolarHBondContact CG2-O 3.45Å; V291-L303 PolarHBondContact N-O 3.01Å; Y292-L303 PolarHBondContact N-O 3.29Å; Y292-L303 PolarHBondContact O-N 2.89Å; L303-G308 WeakPolarHBondContact CA-O 3.32Å; L303-V309 HydrophobicContact CD1-CG2 4.16Å; L303-V343 HydrophobicContact CD1-CB 3.99Å; L303-V343 HydrophobicContact CD1-CG1 3.99Å; L303-I346 HydrophobicContact CB-CD1 3.72Å; L303-I346 HydrophobicContact CB-CG1 4.06Å; L303-I346 HydrophobicContact CB-CG2 4.43Å; L303-I346 HydrophobicContact CD2-CG1 4.5Å; L303-R446 HydrophobicContact CD2-CG 3.8Å; L303-R446 HydrophobicContact CG-CG 4.09Å
304T96.3Very high97Very high1 Ų114.1 Ų14.11%0.0067%0.074CC..EExtended strand (participates in β ladder)trans-97.6161.2179.953.90000111.4C288 E289 V290 D306 G307 G308 F310C288-T304 HydrophobicContact CB-CG2 4.07Å; C288-T304 WeakPolarHBondContact O-CB 3.35Å; C288-T304 WeakPolarHBondContact O-CG2 3.14Å; E289-T304 CarbonylContact O-C 3.58Å; E289-T304 WeakPolarHBondContact O-CA 3.25Å; V290-T304 HydrophobicContact CG2-CG2 4.22Å; T304-D306 VanDerWaalsContact C-N 3.28Å; T304-D306 VanDerWaalsContact CB-OD1 3.24Å; T304-D306 WeakPolarHBondContact CB-OD1 3.39Å; T304-D306 PolarHBondContact O-N 3.32Å; T304-D306 PolarHBondContact OG1-OD1 2.91Å; T304-G307 WeakPolarHBondContact O-CA 3.44Å; T304-G307 PolarHBondContact O-N 2.92Å; T304-G308 PolarHBondContact N-O 3.42Å; T304-G308 WeakPolarHBondContact OG1-CA 3.47Å; T304-G308 PolarHBondContact OG1-N 3.01Å; T304-G308 PolarHBondContact OG1-O 3.26Å; T304-F310 HydrophobicContact CG2-CD2 3.8Å; T304-F310 HydrophobicContact CG2-CE2 3.67Å
305R92.7Very high96.8Very high93 Ų9313.7 Ų13.735%0.3517%0.07SC..THydrogen-bonded Turntrans-60.5-35.2-176.7-171.6178.3173.3101.6-1.8113.1E289 V291 G307 R446 N531E289-R305 HydrophobicContact CB-CB 4Å; E289-R305 PolarHBondContact O-N 3.49Å; V291-R305 HydrophobicContact CG1-CB 3.83Å; V291-R305 HydrophobicContact CG1-CG 4.38Å; R305-G307 PolarHBondContact O-N 3.25Å; R305-R446 WeakPolarHBondContact O-CD 3.48Å; R305-R446 PolarHBondContact O-NH1 2.99Å; R305-N531 WeakPolarHBondContact CD-OD1 3.28Å; R305-N531 PolarHBondContact NE-OD1 3.24Å
306D93.1Very high96.7Very high87 Ų8721.2 Ų21.247%0.46510%0.095SC..THydrogen-bonded Turntrans-70.1-5.717471.3-29.4000113.4T304 G308 K334T304-D306 VanDerWaalsContact C-N 3.28Å; T304-D306 VanDerWaalsContact CB-OD1 3.24Å; T304-D306 WeakPolarHBondContact CB-OD1 3.39Å; T304-D306 PolarHBondContact O-N 3.32Å; T304-D306 PolarHBondContact OG1-OD1 2.91Å; D306-G308 PolarHBondContact OD1-N 3.24Å; D306-G308 VanDerWaalsContact OD1-N 3.1Å; D306-K334 IonicContact OD2-NZ 3.42Å; D306-K334 PolarHBondContact OD2-NZ 2.99Å; D306-K334 VanDerWaalsContact OD2-NZ 3.13Å
307G95.8Very high96.7Very high1 Ų124.3 Ų24.31%0.0111%0.106CC..SBendtrans85.111.9-176.300000114T304 R305 V343T304-G307 WeakPolarHBondContact O-CA 3.44Å; T304-G307 PolarHBondContact O-N 2.92Å; R305-G307 PolarHBondContact O-N 3.25Å; G307-V343 VanDerWaalsContact CA-O 3.28Å; G307-V343 WeakPolarHBondContact CA-O 3.49Å; G307-V343 WeakPolarHBondContact O-CB 3.07Å; G307-V343 PolarHBondContact O-N 3.5Å; G307-V343 VanDerWaalsContact O-N 3.13Å
308G97.1Very high96.7Very high5 Ų523.1 Ų23.15%0.05210%0.101CC..  trans-68.1148.416800000112.6L303 T304 D306L303-G308 WeakPolarHBondContact CA-O 3.32Å; T304-G308 PolarHBondContact N-O 3.42Å; T304-G308 WeakPolarHBondContact OG1-CA 3.47Å; T304-G308 PolarHBondContact OG1-N 3.01Å; T304-G308 PolarHBondContact OG1-O 3.26Å; D306-G308 PolarHBondContact OD1-N 3.24Å; D306-G308 VanDerWaalsContact OD1-N 3.1Å
309V98.3Very high96.7Very high1 Ų122.6 Ų22.61%0.00610%0.097CC..EExtended strand (participates in β ladder)trans-122.2125.8177.7-176.90000109.4V301 A302 L303 T311 K334 I335 F338 V343 I346V301-V309 HydrophobicContact CG1-CG1 3.53Å; A302-V309 CarbonylContact O-C 3.48Å; A302-V309 WeakPolarHBondContact O-CA 3.36Å; L303-V309 HydrophobicContact CD1-CG2 4.16Å; V309-T311 HydrophobicContact CG1-CG2 4.46Å; V309-K334 CarbonylContact O-C 3.59Å; V309-K334 WeakPolarHBondContact O-CA 3.27Å; V309-I335 HydrophobicContact CB-CD1 4.34Å; V309-I335 HydrophobicContact CG1-CD1 3.86Å; V309-I335 PolarHBondContact O-N 3.46Å; V309-F338 HydrophobicContact CB-CD2 4.06Å; V309-F338 HydrophobicContact CG2-CD2 4.06Å; V309-V343 HydrophobicContact CG2-CB 3.74Å; V309-V343 HydrophobicContact CG2-CG1 3.78Å; V309-V343 HydrophobicContact CG2-CG2 3.69Å; V309-I346 HydrophobicContact CG1-CG2 4.39Å; V309-I346 HydrophobicContact CG2-CG2 4.18Å
310F98.2Very high96.7Very high28 Ų2822.8 Ų22.812%0.12310%0.098CC..EExtended strand (participates in β ladder)trans-112.1142.2175.1-69.7-105.2000110.5L285 C288 V301 A302 T304 P332 R333 K334L285-F310 HydrophobicContact CD2-CB 4.11Å; L285-F310 HydrophobicContact CD2-CD1 3.77Å; L285-F310 HydrophobicContact CD2-CD2 4.34Å; L285-F310 HydrophobicContact CD2-CE1 4.22Å; L285-F310 HydrophobicContact CD2-CG 3.83Å; C288-F310 HydrophobicContact CB-CE2 4.49Å; V301-F310 CarbonylContact C-O 3.4Å; V301-F310 WeakPolarHBondContact CA-O 3.02Å; A302-F310 HydrophobicContact CB-CB 4.31Å; A302-F310 PolarHBondContact N-O 3.21Å; A302-F310 PolarHBondContact O-N 3.31Å; T304-F310 HydrophobicContact CG2-CD2 3.8Å; T304-F310 HydrophobicContact CG2-CE2 3.67Å; F310-P332 HydrophobicContact CB-CB 4.47Å; F310-P332 HydrophobicContact CD1-CB 4.41Å; F310-R333 CarbonylContact C-O 3.53Å; F310-R333 VanDerWaalsContact CA-O 3.28Å; F310-R333 WeakPolarHBondContact CA-O 3.33Å; F310-K334 HydrophobicContact CD1-CB 3.97Å; F310-K334 HydrophobicContact CD2-CG 4.37Å; F310-K334 HydrophobicContact CE1-CB 3.69Å; F310-K334 HydrophobicContact CE1-CG 4.31Å; F310-K334 HydrophobicContact CE2-CB 4.31Å; F310-K334 HydrophobicContact CE2-CD 3.98Å; F310-K334 HydrophobicContact CE2-CG 4.02Å; F310-K334 HydrophobicContact CG-CB 4.4Å; F310-K334 HydrophobicContact CZ-CB 3.88Å; F310-K334 HydrophobicContact CZ-CD 3.84Å; F310-K334 HydrophobicContact CZ-CG 3.99Å
311T98.2Very high96.6Very high0 Ų022.8 Ų22.80%010%0.098CC..EExtended strand (participates in β ladder)trans-135.5143.5-176.638.20000111.6T300 V301 V309 L320 H322 R333 I335T300-T311 WeakPolarHBondContact O-CA 3.22Å; V301-T311 HydrophobicContact CB-CG2 4.29Å; V301-T311 HydrophobicContact CG1-CG2 3.93Å; V301-T311 HydrophobicContact CG2-CG2 3.93Å; V309-T311 HydrophobicContact CG1-CG2 4.46Å; T311-L320 PolarHBondContact OG1-O 3.12Å; T311-H322 PolarHBondContact OG1-CE1 3.41Å; T311-H322 PolarHBondContact OG1-NE2 3.18Å; T311-R333 PolarHBondContact N-O 3.14Å; T311-R333 PolarHBondContact O-N 2.95Å; T311-R333 PolarHBondContact OG1-O 2.59Å; T311-I335 HydrophobicContact CG2-CD1 3.75Å; T311-I335 HydrophobicContact CG2-CG1 4.25Å
312F97.2Very high96.4Very high0 Ų024 Ų240%010%0.104CC..EExtended strand (participates in β ladder)trans-159.9163.3178.849-79.5000110.8F209 Q227 L228 G229 L285 H299 T300 I329 P332F209-F312 HydrophobicContact CE1-CE2 4.35Å; F209-F312 HydrophobicContact CE1-CZ 4.48Å; F209-F312 HydrophobicContact CZ-CE2 4.06Å; F209-F312 HydrophobicContact CZ-CZ 4.43Å; Q227-F312 VanDerWaalsContact O-CD2 3.31Å; Q227-F312 WeakPolarHBondContact O-CD2 3.28Å; Q227-F312 WeakPolarHBondContact O-CE2 3.26Å; L228-F312 VanDerWaalsContact C-CE2 3.48Å; G229-F312 VanDerWaalsContact CA-CD2 3.45Å; G229-F312 VanDerWaalsContact N-CE2 3.32Å; L285-F312 HydrophobicContact CD1-CE1 4.01Å; L285-F312 HydrophobicContact CD1-CZ 4.38Å; H299-F312 WeakPolarHBondContact CA-O 3.48Å; T300-F312 VanDerWaalsContact CB-CE2 3.45Å; T300-F312 HydrophobicContact CG2-CE1 3.91Å; T300-F312 HydrophobicContact CG2-CE2 3.68Å; T300-F312 HydrophobicContact CG2-CZ 3.31Å; T300-F312 PolarHBondContact N-O 3.06Å; T300-F312 PolarHBondContact O-N 2.91Å; T300-F312 VanDerWaalsContact O-N 3.12Å; F312-I329 CarbonylContact C-O 3.52Å; F312-I329 WeakPolarHBondContact CA-O 3.42Å; F312-I329 VanDerWaalsContact CB-O 3.29Å; F312-I329 WeakPolarHBondContact CB-O 3.39Å; F312-P332 HydrophobicContact CB-CG 4.45Å; F312-P332 HydrophobicContact CD1-CB 3.57Å; F312-P332 HydrophobicContact CD1-CG 3.56Å; F312-P332 HydrophobicContact CD2-CG 4.46Å; F312-P332 HydrophobicContact CE1-CB 3.97Å; F312-P332 HydrophobicContact CE1-CG 3.8Å; F312-P332 HydrophobicContact CG-CB 4.27Å; F312-P332 HydrophobicContact CG-CG 3.92Å; F312-P332 HydrophobicContact CZ-CG 4.33Å
313G96.3Very high96.3Very high0 Ų029 Ų290%013%0.131CC..EExtended strand (participates in β ladder)trans99.8-154.2-170.100000112.8Y225 Q227 L320 G328 I329Y225-G313 CarbonylContact O-C 3.59Å; Y225-G313 VanDerWaalsContact O-C 3.32Å; Y225-G313 VanDerWaalsContact O-CA 3.29Å; Y225-G313 WeakPolarHBondContact O-CA 3.06Å; Q227-G313 VanDerWaalsContact CA-CA 3.45Å; G313-L320 WeakPolarHBondContact O-CD1 3.3Å; G313-G328 CarbonylContact O-C 3.1Å; G313-G328 WeakPolarHBondContact O-CA 3.47Å; G313-I329 PolarHBondContact N-O 3.47Å; G313-I329 PolarHBondContact O-N 3.25Å
314A96Very high95.9Very high6 Ų632.4 Ų32.45%0.0515%0.146CC..EExtended strand (participates in β ladder)trans-65138-174.800000112.5Y225 T298 Q319 L320 I327Y225-A314 HydrophobicContact CD1-CB 4.06Å; Y225-A314 HydrophobicContact CD2-CB 4.3Å; Y225-A314 HydrophobicContact CG-CB 3.84Å; T298-A314 PolarHBondContact O-N 2.72Å; T298-A314 VanDerWaalsContact OG1-CB 3.29Å; T298-A314 WeakPolarHBondContact OG1-CB 3.37Å; A314-Q319 WeakPolarHBondContact O-CG 3.06Å; A314-Q319 PolarHBondContact O-NE2 2.92Å; A314-L320 WeakPolarHBondContact O-CD2 3.26Å; A314-L320 WeakPolarHBondContact O-CG 3.31Å; A314-I327 WeakPolarHBondContact CA-O 3.46Å
315G94.3Very high95.6Very high1 Ų136.2 Ų36.21%0.0117%0.173CC..EExtended strand (participates in β ladder)trans-127.39.5-177.800000115.3Y317 G318 Q319 T326G315-Y317 PolarHBondContact O-N 2.94Å; G315-Y317 VanDerWaalsContact O-N 3.12Å; G315-G318 PolarHBondContact O-N 3.45Å; G315-Q319 VanDerWaalsContact C-OE1 3.22Å; G315-T326 CarbonylContact C-O 3.58Å; G315-T326 VanDerWaalsContact CA-O 3.29Å; G315-T326 WeakPolarHBondContact CA-O 3.46Å; G315-T326 PolarHBondContact N-O 3.38Å
316R95.3Very high95.4Very high177 Ų17733.4 Ų33.467%0.66817%0.167SC*.THydrogen-bonded Turntrans-57.9-33.3-169.2-175.3174.5-177.6151.70.8113.3S325 T326R316-S325 PolarHBondContact O-OG 3.38Å; R316-T326 WeakPolarHBondContact CA-O 3.35Å; R316-T326 PolarHBondContact N-O 3.4Å
317Y96.5Very high95.2Very high72 Ų7236 Ų3628%0.28218%0.179SC..THydrogen-bonded Turntrans-99.90.9-179.3-53.1-69000112.8G315 F351 G367 Q368G315-Y317 PolarHBondContact O-N 2.94Å; G315-Y317 VanDerWaalsContact O-N 3.12Å; Y317-F351 HydrophobicContact CD2-CB 3.94Å; Y317-F351 HydrophobicContact CD2-CD1 4.26Å; Y317-F351 HydrophobicContact CD2-CG 4.16Å; Y317-F351 HydrophobicContact CE2-CB 4.42Å; Y317-F351 HydrophobicContact CE2-CD1 4.13Å; Y317-F351 HydrophobicContact CE2-CG 4.16Å; Y317-G367 CarbonylContact O-C 3.19Å; Y317-G367 VanDerWaalsContact O-CA 3.32Å; Y317-G367 WeakPolarHBondContact O-CA 3.26Å; Y317-G367 VanDerWaalsContact O-O 3.08Å; Y317-Q368 HydrophobicContact CD1-CB 4.45Å; Y317-Q368 HydrophobicContact CD1-CG 4.39Å; Y317-Q368 HydrophobicContact CD2-CB 4.35Å; Y317-Q368 HydrophobicContact CG-CB 3.98Å; Y317-Q368 HydrophobicContact CG-CG 4.37Å
318G96.2Very high94.9Very high1 Ų137.1 Ų37.11%0.0119%0.19CC..SBendtrans90.710-176.800000115.3G315 L320 G321 F366 L383G315-G318 PolarHBondContact O-N 3.45Å; G318-L320 PolarHBondContact O-N 3.34Å; G318-G321 PolarHBondContact O-N 3.38Å; G318-F366 WeakPolarHBondContact O-CD2 3.3Å; G318-L383 VanDerWaalsContact CA-CD2 3.43Å
319Q97.2Very high94.6Very high1 Ų137.4 Ų37.41%0.00519%0.191CC..THydrogen-bonded Turntrans-66.5-4.8-173.664.7-94.854.400115H299 A314 G315 F351 T353 F366H299-Q319 HydrophobicContact CB-CG 4.28Å; A314-Q319 WeakPolarHBondContact O-CG 3.06Å; A314-Q319 PolarHBondContact O-NE2 2.92Å; G315-Q319 VanDerWaalsContact C-OE1 3.22Å; Q319-F351 WeakPolarHBondContact CB-O 3.08Å; Q319-T353 PolarHBondContact O-OG1 3.44Å; Q319-F366 WeakPolarHBondContact O-CD2 3.26Å; Q319-F366 WeakPolarHBondContact O-CE2 3.22Å
320L97.2Very high94.3Very high4 Ų438.7 Ų38.72%0.02120%0.199CC..THydrogen-bonded Turntrans-95.5-16.8172.7-51.7177000112.9H299 T311 G313 A314 G318 H322 T326 I329 F366H299-L320 HydrophobicContact CB-CD2 4.01Å; T311-L320 PolarHBondContact OG1-O 3.12Å; G313-L320 WeakPolarHBondContact O-CD1 3.3Å; A314-L320 WeakPolarHBondContact O-CD2 3.26Å; A314-L320 WeakPolarHBondContact O-CG 3.31Å; G318-L320 PolarHBondContact O-N 3.34Å; L320-H322 PolarHBondContact O-CD2 2.75Å; L320-H322 PolarHBondContact O-NE2 3.24Å; L320-T326 HydrophobicContact CD1-CG2 4.22Å; L320-I329 HydrophobicContact CD1-CB 3.97Å; L320-I329 HydrophobicContact CD1-CD1 3.57Å; L320-I329 HydrophobicContact CD1-CG1 3.63Å; L320-F366 VanDerWaalsContact C-CE2 3.5Å
321G96.8Very high94Very high0 Ų040.7 Ų40.70%021%0.214CC..  trans74.826.4172.500000115.9G318 L383 P385G318-G321 PolarHBondContact O-N 3.38Å; G321-L383 CarbonylContact C-O 3.53Å; G321-L383 VanDerWaalsContact CA-O 3.24Å; G321-L383 WeakPolarHBondContact CA-O 3.31Å; G321-P385 WeakPolarHBondContact O-CD 3.34Å
322H95.9Very high93.9Very high26 Ų2641.3 Ų41.312%0.1222%0.218CC..SBendtrans-105.617.5-177.1-58-56.7000115T311 L320 E324 I329 R333 L383T311-H322 PolarHBondContact OG1-CE1 3.41Å; T311-H322 PolarHBondContact OG1-NE2 3.18Å; L320-H322 PolarHBondContact O-CD2 2.75Å; L320-H322 PolarHBondContact O-NE2 3.24Å; H322-E324 HydrophobicContact CB-CG 4.08Å; H322-E324 PolarHBondContact O-N 2.95Å; H322-I329 WeakPolarHBondContact CD2-CD1 3.36Å; H322-R333 PolarHBondContact CE1-O 3.46Å; H322-L383 PolarHBondContact N-O 3.29Å
323N94.9Very high93.8Very high106 Ų10646.4 Ų46.457%0.56724%0.237SC*.SBendtrans59.426.5-177-15728.4000115.1L383 L384N323-L383 WeakPolarHBondContact CA-O 3.41Å; N323-L383 PolarHBondContact N-O 3Å; N323-L384 HydrophobicContact CB-CD1 3.97Å; N323-L384 HydrophobicContact CB-CD2 3.66Å; N323-L384 HydrophobicContact CB-CG 3.65Å
324E90.6Very high93.9Very high70 Ų7050.2 Ų50.233%0.32725%0.254SS..  trans-136.4143.118062.2-173.6178.400110.6H322 T326 I329 R333H322-E324 HydrophobicContact CB-CG 4.08Å; H322-E324 PolarHBondContact O-N 2.95Å; E324-T326 HydrophobicContact CG-CG2 4.06Å; E324-I329 WeakPolarHBondContact OE1-CD1 3.07Å; E324-R333 IonicContact OE1-CZ 3.9Å; E324-R333 IonicContact OE1-NH1 3.83Å; E324-R333 PolarHBondContact OE1-NH1 2.92Å; E324-R333 IonicContact OE1-NH2 2.68Å; E324-R333 IonicContact OE2-NH1 3.4Å
325S90.7Very high94Very high81 Ų8150 Ų5057%0.56625%0.251SS*.  trans-95.593.3167.4-1770000107.5R316R316-S325 PolarHBondContact O-OG 3.38Å
326T88Confident94Very high35 Ų3553.9 Ų53.922%0.21528%0.276CS..EExtended strand (participates in β ladder)trans-108.6149.8-178.9173.90000110.6G315 R316 L320 E324 G328 I329G315-T326 CarbonylContact C-O 3.58Å; G315-T326 VanDerWaalsContact CA-O 3.29Å; G315-T326 WeakPolarHBondContact CA-O 3.46Å; G315-T326 PolarHBondContact N-O 3.38Å; R316-T326 WeakPolarHBondContact CA-O 3.35Å; R316-T326 PolarHBondContact N-O 3.4Å; L320-T326 HydrophobicContact CD1-CG2 4.22Å; E324-T326 HydrophobicContact CG-CG2 4.06Å; T326-G328 PolarHBondContact O-N 3.36Å; T326-G328 PolarHBondContact OG1-N 2.84Å; T326-G328 PolarHBondContact OG1-O 3.46Å; T326-I329 HydrophobicContact CG2-CD1 4.21Å; T326-I329 HydrophobicContact CG2-CG1 3.81Å
327I88.4Confident94Very high141 Ų14150.2 Ų50.272%0.72327%0.266SS*.EExtended strand (participates in β ladder)trans-58.9-43.6171.8-63.7171.6000109.4Y225 A314Y225-I327 HydrophobicContact CD1-CG2 4.06Å; Y225-I327 WeakPolarHBondContact CD1-O 3.48Å; Y225-I327 HydrophobicContact CE1-CG2 4.26Å; A314-I327 WeakPolarHBondContact CA-O 3.46Å
328G89.3Confident93.9Very high24 Ų2447 Ų4725%0.24725%0.253CS..EExtended strand (participates in β ladder)trans-179.2165.1171.100000113.5Y225 G313 T326Y225-G328 WeakPolarHBondContact O-CA 3.24Å; G313-G328 CarbonylContact O-C 3.1Å; G313-G328 WeakPolarHBondContact O-CA 3.47Å; T326-G328 PolarHBondContact O-N 3.36Å; T326-G328 PolarHBondContact OG1-N 2.84Å; T326-G328 PolarHBondContact OG1-O 3.46Å
329I92Very high93.7Very high12 Ų1253.1 Ų53.16%0.06228%0.283CS..EExtended strand (participates in β ladder)trans-119.2117.3177-60.3-179.5000107.8F312 G313 L320 H322 E324 T326 V331F312-I329 CarbonylContact C-O 3.52Å; F312-I329 WeakPolarHBondContact CA-O 3.42Å; F312-I329 VanDerWaalsContact CB-O 3.29Å; F312-I329 WeakPolarHBondContact CB-O 3.39Å; G313-I329 PolarHBondContact N-O 3.47Å; G313-I329 PolarHBondContact O-N 3.25Å; L320-I329 HydrophobicContact CD1-CB 3.97Å; L320-I329 HydrophobicContact CD1-CD1 3.57Å; L320-I329 HydrophobicContact CD1-CG1 3.63Å; H322-I329 WeakPolarHBondContact CD2-CD1 3.36Å; E324-I329 WeakPolarHBondContact OE1-CD1 3.07Å; T326-I329 HydrophobicContact CG2-CD1 4.21Å; T326-I329 HydrophobicContact CG2-CG1 3.81Å; I329-V331 WeakPolarHBondContact CG2-O 3.22Å
330S90.7Very high93.5Very high27 Ų2757.4 Ų57.419%0.18933%0.327CS..EExtended strand (participates in β ladder)trans-88.2-20.4-179.655.60000114.9G229G229-S330 CarbonylContact C-O 3.52Å; G229-S330 WeakPolarHBondContact CA-O 3.25Å
331V92.6Very high93.3Very high71 Ų7159.7 Ų59.743%0.4334%0.34SS..EExtended strand (participates in β ladder)trans-101.4118.7176.1-179.80000108.5T284 I329 R333T284-V331 HydrophobicContact CG2-CG1 4.13Å; I329-V331 WeakPolarHBondContact CG2-O 3.22Å; V331-R333 PolarHBondContact O-N 2.91Å
332P96.4Very high93.3Very high13 Ų1362.6 Ų62.68%0.08436%0.357CS..EExtended strand (participates in β ladder)trans-47.2123.2177.2-29.536.9000112.3V282 T284 L285 F310 F312V282-P332 HydrophobicContact CG1-CG 4.43Å; T284-P332 VanDerWaalsContact OG1-CD 3.29Å; T284-P332 WeakPolarHBondContact OG1-CD 3.5Å; T284-P332 WeakPolarHBondContact OG1-CG 3.32Å; L285-P332 HydrophobicContact CD1-CB 4.01Å; L285-P332 HydrophobicContact CD1-CG 3.93Å; L285-P332 HydrophobicContact CD2-CB 3.66Å; L285-P332 HydrophobicContact CD2-CG 4.31Å; L285-P332 HydrophobicContact CG-CB 3.78Å; L285-P332 HydrophobicContact CG-CG 3.85Å; F310-P332 HydrophobicContact CB-CB 4.47Å; F310-P332 HydrophobicContact CD1-CB 4.41Å; F312-P332 HydrophobicContact CB-CG 4.45Å; F312-P332 HydrophobicContact CD1-CB 3.57Å; F312-P332 HydrophobicContact CD1-CG 3.56Å; F312-P332 HydrophobicContact CD2-CG 4.46Å; F312-P332 HydrophobicContact CE1-CB 3.97Å; F312-P332 HydrophobicContact CE1-CG 3.8Å; F312-P332 HydrophobicContact CG-CB 4.27Å; F312-P332 HydrophobicContact CG-CG 3.92Å; F312-P332 HydrophobicContact CZ-CG 4.33Å
333R95.5Very high93.4Very high106 Ų10661.3 Ų61.340%0.435%0.351SS..EExtended strand (participates in β ladder)trans-117.7131.7-177.1-173.8-173.7-65.4175.57110.2F310 T311 H322 E324 V331F310-R333 CarbonylContact C-O 3.53Å; F310-R333 VanDerWaalsContact CA-O 3.28Å; F310-R333 WeakPolarHBondContact CA-O 3.33Å; T311-R333 PolarHBondContact N-O 3.14Å; T311-R333 PolarHBondContact O-N 2.95Å; T311-R333 PolarHBondContact OG1-O 2.59Å; H322-R333 PolarHBondContact CE1-O 3.46Å; E324-R333 IonicContact OE1-CZ 3.9Å; E324-R333 IonicContact OE1-NH1 3.83Å; E324-R333 PolarHBondContact OE1-NH1 2.92Å; E324-R333 IonicContact OE1-NH2 2.68Å; E324-R333 IonicContact OE2-NH1 3.4Å; V331-R333 PolarHBondContact O-N 2.91Å
334K97.2Very high93.5Very high80 Ų8056.7 Ų56.735%0.34833%0.327SS..EExtended strand (participates in β ladder)trans-70.7136.1175.7-160.9168.9-174.1166.40109.9D306 V309 F310 T336D306-K334 IonicContact OD2-NZ 3.42Å; D306-K334 PolarHBondContact OD2-NZ 2.99Å; D306-K334 VanDerWaalsContact OD2-NZ 3.13Å; V309-K334 CarbonylContact O-C 3.59Å; V309-K334 WeakPolarHBondContact O-CA 3.27Å; F310-K334 HydrophobicContact CD1-CB 3.97Å; F310-K334 HydrophobicContact CD2-CG 4.37Å; F310-K334 HydrophobicContact CE1-CB 3.69Å; F310-K334 HydrophobicContact CE1-CG 4.31Å; F310-K334 HydrophobicContact CE2-CB 4.31Å; F310-K334 HydrophobicContact CE2-CD 3.98Å; F310-K334 HydrophobicContact CE2-CG 4.02Å; F310-K334 HydrophobicContact CG-CB 4.4Å; F310-K334 HydrophobicContact CZ-CB 3.88Å; F310-K334 HydrophobicContact CZ-CD 3.84Å; F310-K334 HydrophobicContact CZ-CG 3.99Å; K334-T336 PolarHBondContact O-N 3.14Å
335I97.5Very high93.8Very high1 Ų153.4 Ų53.41%0.00531%0.311CS..  trans-77.6117.7175.4-61.2178.4000109.2V309 T311 E337 F338 F366 P385V309-I335 HydrophobicContact CB-CD1 4.34Å; V309-I335 HydrophobicContact CG1-CD1 3.86Å; V309-I335 PolarHBondContact O-N 3.46Å; T311-I335 HydrophobicContact CG2-CD1 3.75Å; T311-I335 HydrophobicContact CG2-CG1 4.25Å; I335-E337 HydrophobicContact CG2-CB 4.18Å; I335-F338 HydrophobicContact CB-CD2 3.85Å; I335-F338 HydrophobicContact CB-CE2 4.39Å; I335-F338 HydrophobicContact CD1-CD2 4.13Å; I335-F338 HydrophobicContact CD1-CE2 3.9Å; I335-F338 HydrophobicContact CG2-CD2 3.62Å; I335-F338 HydrophobicContact CG2-CE2 3.96Å; I335-F338 HydrophobicContact CG2-CG 4.36Å; I335-F338 PolarHBondContact O-N 3.31Å; I335-F366 HydrophobicContact CD1-CE1 4.4Å; I335-F366 HydrophobicContact CD1-CE2 4.03Å; I335-F366 HydrophobicContact CD1-CZ 3.55Å; I335-P385 HydrophobicContact CG2-CG 3.75Å
336T95Very high94.1Very high84 Ų8449.7 Ų49.752%0.51529%0.285SS..G310 helixtrans-68.9-33.2-176.749.10000113.3K334 F338 M339K334-T336 PolarHBondContact O-N 3.14Å; T336-F338 PolarHBondContact O-N 3.26Å; T336-F338 VanDerWaalsContact O-N 3.14Å; T336-M339 HydrophobicContact CG2-SD 4.1Å; T336-M339 VanDerWaalsContact O-CB 3.24Å; T336-M339 WeakPolarHBondContact O-CB 3.3Å; T336-M339 VanDerWaalsContact O-CG 3.3Å; T336-M339 WeakPolarHBondContact O-CG 3.28Å; T336-M339 PolarHBondContact O-N 3.28Å
337E95Very high94.6Very high100 Ų10048.6 Ų48.647%0.46728%0.28SS..G310 helixtrans-62.2-21.8179.3-63.9-54.813500113.7I335 L384 P385I335-E337 HydrophobicContact CG2-CB 4.18Å; E337-L384 HydrophobicContact CG-CD2 3.74Å; E337-P385 HydrophobicContact CB-CB 4.42Å; E337-P385 HydrophobicContact CB-CG 4.06Å; E337-P385 HydrophobicContact CG-CG 4.37Å
338F95.8Very high95Very high4 Ų442.7 Ų42.72%0.01825%0.251CS..G310 helixtrans-92.7-0.8175.2-62.3-48.3000113.4V309 I335 T336 G340 N341 V343 A355 V357 F364 F366 P385V309-F338 HydrophobicContact CB-CD2 4.06Å; V309-F338 HydrophobicContact CG2-CD2 4.06Å; I335-F338 HydrophobicContact CB-CD2 3.85Å; I335-F338 HydrophobicContact CB-CE2 4.39Å; I335-F338 HydrophobicContact CD1-CD2 4.13Å; I335-F338 HydrophobicContact CD1-CE2 3.9Å; I335-F338 HydrophobicContact CG2-CD2 3.62Å; I335-F338 HydrophobicContact CG2-CE2 3.96Å; I335-F338 HydrophobicContact CG2-CG 4.36Å; I335-F338 PolarHBondContact O-N 3.31Å; T336-F338 PolarHBondContact O-N 3.26Å; T336-F338 VanDerWaalsContact O-N 3.14Å; F338-G340 PolarHBondContact O-N 2.85Å; F338-N341 WeakPolarHBondContact O-CB 3.39Å; F338-N341 PolarHBondContact O-N 2.96Å; F338-V343 HydrophobicContact CB-CG2 4.09Å; F338-V343 HydrophobicContact CD1-CG2 4Å; F338-V343 HydrophobicContact CD2-CG2 4.21Å; F338-V343 HydrophobicContact CG-CG2 3.85Å; F338-A355 HydrophobicContact CE1-CB 4.18Å; F338-A355 HydrophobicContact CE2-CB 3.83Å; F338-A355 HydrophobicContact CZ-CB 3.48Å; F338-A355 VanDerWaalsContact CZ-CB 3.48Å; F338-V357 HydrophobicContact CD1-CG2 4.33Å; F338-F364 HydrophobicContact CE1-CB 3.92Å; F338-F364 HydrophobicContact CE1-CD1 4.21Å; F338-F364 AromaticContact CE1-CD2 3.7Å; F338-F364 HydrophobicContact CE1-CD2 3.7Å; F338-F364 HydrophobicContact CE1-CE2 4.22Å; F338-F364 AromaticContact CE1-CG 3.69Å; F338-F364 HydrophobicContact CE1-CG 3.69Å; F338-F364 HydrophobicContact CZ-CB 3.91Å; F338-F364 HydrophobicContact CZ-CD2 4.5Å; F338-F364 HydrophobicContact CZ-CG 4.21Å; F338-F366 HydrophobicContact CE2-CE1 4.16Å; F338-F366 HydrophobicContact CZ-CE1 4.2Å; F338-P385 HydrophobicContact CE1-CB 3.96Å; F338-P385 HydrophobicContact CE1-CG 4.38Å; F338-P385 HydrophobicContact CE2-CB 4.19Å; F338-P385 HydrophobicContact CE2-CG 3.82Å; F338-P385 HydrophobicContact CZ-CB 3.53Å; F338-P385 HydrophobicContact CZ-CG 3.7Å
339M91.7Very high95.4Very high130 Ų13041.9 Ų41.964%0.6424%0.242SC*.THydrogen-bonded Turntrans-60.6134.7177.1-69.9178.666.800111.1T336 N341T336-M339 HydrophobicContact CG2-SD 4.1Å; T336-M339 VanDerWaalsContact O-CB 3.24Å; T336-M339 WeakPolarHBondContact O-CB 3.3Å; T336-M339 VanDerWaalsContact O-CG 3.3Å; T336-M339 WeakPolarHBondContact O-CG 3.28Å; T336-M339 PolarHBondContact O-N 3.28Å; M339-N341 PolarHBondContact O-N 2.92Å
340G91.6Very high95.6Very high90 Ų9044 Ų4493%0.92825%0.249SC*.THydrogen-bonded Turntrans80.3-8.4-174.400000114.7F338F338-G340 PolarHBondContact O-N 2.85Å
341N94.4Very high95.9Very high52 Ų5244.5 Ų44.528%0.27825%0.248SC..SBendtrans-106152.6172.8-70.8-62.1000110.9F338 M339 V357F338-N341 WeakPolarHBondContact O-CB 3.39Å; F338-N341 PolarHBondContact O-N 2.96Å; M339-N341 PolarHBondContact O-N 2.92Å; N341-V357 HydrophobicContact CB-CG1 3.83Å; N341-V357 HydrophobicContact CB-CG2 4.2Å
342V95.5Very high96.2Very high61 Ų6141.1 Ų41.137%0.3723%0.228SC..  trans-105.8102.7175.9179.10000108.2T344V342-T344 HydrophobicContact CG1-CG2 4.42Å
343V97.9Very high96.3Very high0 Ų040.5 Ų40.50%022%0.224CC..  trans-74.6138.1170.8179.90000108.7L303 G307 V309 F338 Q345 I346 A355 L356 V357 R446L303-V343 HydrophobicContact CD1-CB 3.99Å; L303-V343 HydrophobicContact CD1-CG1 3.99Å; G307-V343 VanDerWaalsContact CA-O 3.28Å; G307-V343 WeakPolarHBondContact CA-O 3.49Å; G307-V343 WeakPolarHBondContact O-CB 3.07Å; G307-V343 PolarHBondContact O-N 3.5Å; G307-V343 VanDerWaalsContact O-N 3.13Å; V309-V343 HydrophobicContact CG2-CB 3.74Å; V309-V343 HydrophobicContact CG2-CG1 3.78Å; V309-V343 HydrophobicContact CG2-CG2 3.69Å; F338-V343 HydrophobicContact CB-CG2 4.09Å; F338-V343 HydrophobicContact CD1-CG2 4Å; F338-V343 HydrophobicContact CD2-CG2 4.21Å; F338-V343 HydrophobicContact CG-CG2 3.85Å; V343-Q345 WeakPolarHBondContact CG1-O 3.47Å; V343-I346 HydrophobicContact CG1-CG2 3.95Å; V343-A355 HydrophobicContact CG1-CB 3.99Å; V343-L356 WeakPolarHBondContact CA-O 2.96Å; V343-V357 HydrophobicContact CG2-CG2 3.9Å; V343-R446 WeakPolarHBondContact O-CD 3.44Å
344T96.9Very high96.4Very high8 Ų835.5 Ų35.55%0.04921%0.205CC..  trans-120.1-20.3-179.756.50000113.3V342 L356 P358 D444 L445V342-T344 HydrophobicContact CG1-CG2 4.42Å; T344-L356 PolarHBondContact N-O 2.96Å; T344-P358 HydrophobicContact CG2-CG 3.64Å; T344-P358 WeakPolarHBondContact OG1-CD 3.45Å; T344-P358 WeakPolarHBondContact OG1-CG 3.33Å; T344-D444 HydrophobicContact CG2-CB 4.46Å; T344-L445 WeakPolarHBondContact O-CB 3.49Å; T344-L445 PolarHBondContact O-N 3.02Å
345Q97.8Very high96.4Very high1 Ų131.7 Ų31.71%0.00519%0.188CC..EExtended strand (participates in β ladder)trans-136.6141.9177-49.4-17121.300110.8V343 A355 L356 R418 I420 D443 L445V343-Q345 WeakPolarHBondContact CG1-O 3.47Å; Q345-A355 WeakPolarHBondContact O-CA 3.31Å; Q345-L356 HydrophobicContact CB-CB 4.01Å; Q345-L356 HydrophobicContact CG-CB 4.38Å; Q345-L356 HydrophobicContact CG-CD2 4.12Å; Q345-L356 PolarHBondContact O-N 3.4Å; Q345-R418 PolarHBondContact NE2-O 2.83Å; Q345-I420 HydrophobicContact CB-CD1 3.98Å; Q345-I420 HydrophobicContact CB-CG1 3.93Å; Q345-I420 VanDerWaalsContact OE1-N 3.09Å; Q345-D443 VanDerWaalsContact CG-O 3.29Å; Q345-D443 WeakPolarHBondContact CG-O 3.39Å; Q345-D443 PolarHBondContact NE2-O 3.38Å; Q345-L445 HydrophobicContact CB-CD1 3.86Å; Q345-L445 HydrophobicContact CB-CG 4.34Å; Q345-L445 HydrophobicContact CG-CD1 4.08Å; Q345-L445 HydrophobicContact CG-CG 4.05Å
346I98Very high96.4Very high4 Ų431.7 Ų31.72%0.02119%0.189CC..EExtended strand (participates in β ladder)trans-132.7145.6170.355.9166.3000109.5Y292 A294 V301 L303 V309 V343 L354 A355Y292-I346 HydrophobicContact CD1-CD1 3.98Å; Y292-I346 HydrophobicContact CD1-CG1 3.65Å; Y292-I346 HydrophobicContact CE1-CG1 4.02Å; A294-I346 HydrophobicContact CB-CD1 4.14Å; A294-I346 HydrophobicContact CB-CG1 4.28Å; V301-I346 HydrophobicContact CB-CD1 4.05Å; V301-I346 HydrophobicContact CG1-CB 4.31Å; V301-I346 HydrophobicContact CG1-CD1 3.69Å; V301-I346 HydrophobicContact CG1-CG2 4.26Å; V301-I346 VanDerWaalsContact O-CD1 3.27Å; V301-I346 WeakPolarHBondContact O-CD1 3.47Å; L303-I346 HydrophobicContact CB-CD1 3.72Å; L303-I346 HydrophobicContact CB-CG1 4.06Å; L303-I346 HydrophobicContact CB-CG2 4.43Å; L303-I346 HydrophobicContact CD2-CG1 4.5Å; V309-I346 HydrophobicContact CG1-CG2 4.39Å; V309-I346 HydrophobicContact CG2-CG2 4.18Å; V343-I346 HydrophobicContact CG1-CG2 3.95Å; I346-L354 VanDerWaalsContact CA-O 3.29Å; I346-L354 WeakPolarHBondContact CA-O 3.23Å; I346-A355 HydrophobicContact CG2-CB 4.39Å
347A97.7Very high96.5Very high12 Ų1227.7 Ų27.710%0.09916%0.164CC..EExtended strand (participates in β ladder)trans-145.8146.7173.700000110T353 L354 I420A347-T353 WeakPolarHBondContact O-CA 3.48Å; A347-L354 HydrophobicContact CB-CB 4.37Å; A347-L354 HydrophobicContact CB-CD1 4.36Å; A347-L354 PolarHBondContact N-O 3.26Å; A347-L354 VanDerWaalsContact N-O 3.11Å; A347-L354 PolarHBondContact O-N 3.47Å; A347-I420 HydrophobicContact CB-CD1 4.14Å; A347-I420 HydrophobicContact CB-CG1 4.23Å
348C97.6Very high96.4Very high17 Ų1723.9 Ų23.912%0.11515%0.148CC..EExtended strand (participates in β ladder)trans-121.9138.9179.5-66.20000110A294 C295 V301 H352 S422A294-C348 HydrophobicContact CB-CB 4.27Å; C295-C348 VanDerWaalsContact C-CB 3.48Å; C295-C348 WeakPolarHBondContact O-CB 3.36Å; V301-C348 WeakPolarHBondContact CG2-SG 3.41Å; C348-H352 WeakPolarHBondContact CA-O 3.46Å; C348-S422 WeakPolarHBondContact O-CB 3.17Å
349G96.5Very high96.1Very high6 Ų631.4 Ų31.46%0.06218%0.181CC..  trans-96.4-157.8158.700000111.7G296 F351 H352 S422 G423G296-G349 WeakPolarHBondContact CA-O 3.38Å; G349-F351 PolarHBondContact O-N 3.3Å; G349-H352 PolarHBondContact N-O 2.81Å; G349-S422 WeakPolarHBondContact CA-OG 3.46Å; G349-S422 PolarHBondContact N-OG 2.69Å; G349-S422 VanDerWaalsContact N-OG 3.1Å; G349-G423 WeakPolarHBondContact CA-O 3.44Å
350R96.1Very high96Very high56 Ų5627.9 Ų27.921%0.21117%0.166CC..SBendtrans-59.4-51.3176.9-79.4-171.7-62.6-174.45.3111.3Y51 E297 G424 D425Y51-R350 HydrophobicContact CD1-CG 3.9Å; Y51-R350 HydrophobicContact CE1-CG 3.52Å; E297-R350 HydrophobicContact CB-CB 4.45Å; E297-R350 PolarHBondContact N-O 2.87Å; R350-G424 PolarHBondContact N-O 3.47Å; R350-D425 IonicContact CZ-OD1 2.69Å; R350-D425 IonicContact CZ-OD2 3.05Å; R350-D425 IonicContact NE-OD1 2.8Å; R350-D425 PolarHBondContact NE-OD1 2.92Å; R350-D425 IonicContact NE-OD2 3.54Å; R350-D425 IonicContact NH2-OD1 3.81Å; R350-D425 PolarHBondContact NH2-OD1 3.02Å; R350-D425 IonicContact NH2-OD2 2.98Å; R350-D425 PolarHBondContact NH2-OD2 3.33Å
351F97.5Very high95.9Very high39 Ų3923.9 Ų23.917%0.17113%0.125CC..SBendtrans-135.522.4-169.3-53.5-62.4000113.4E297 Y317 Q319 G349 G367 Q368E297-F351 HydrophobicContact CB-CE1 4.32Å; E297-F351 WeakPolarHBondContact OE2-CZ 3.37Å; Y317-F351 HydrophobicContact CD2-CB 3.94Å; Y317-F351 HydrophobicContact CD2-CD1 4.26Å; Y317-F351 HydrophobicContact CD2-CG 4.16Å; Y317-F351 HydrophobicContact CE2-CB 4.42Å; Y317-F351 HydrophobicContact CE2-CD1 4.13Å; Y317-F351 HydrophobicContact CE2-CG 4.16Å; Q319-F351 WeakPolarHBondContact CB-O 3.08Å; G349-F351 PolarHBondContact O-N 3.3Å; F351-G367 WeakPolarHBondContact O-CA 3.39Å; F351-Q368 HydrophobicContact CB-CB 3.71Å; F351-Q368 VanDerWaalsContact CB-OE1 3.25Å; F351-Q368 PolarHBondContact O-N 3.48Å
352H97.8Very high95.9Very high0 Ų028 Ų280%014%0.136CC..EExtended strand (participates in β ladder)trans-144.5158.3175.869.1-70.4000112.2C348 G349 F366 Q373 L374 S422 T427C348-H352 WeakPolarHBondContact CA-O 3.46Å; G349-H352 PolarHBondContact N-O 2.81Å; H352-F366 CarbonylContact C-O 3.15Å; H352-F366 VanDerWaalsContact CA-O 3.27Å; H352-F366 WeakPolarHBondContact CA-O 3.2Å; H352-F366 WeakPolarHBondContact CB-O 3.43Å; H352-Q373 HydrophobicContact CB-CG 4.32Å; H352-L374 HydrophobicContact CB-CD2 3.69Å; H352-S422 PolarHBondContact CE1-OG 3.44Å; H352-S422 PolarHBondContact NE2-OG 2.89Å; H352-T427 PolarHBondContact NE2-OG1 3.41Å
353T98.4Very high96Very high0 Ų025.1 Ų25.10%012%0.119CC..EExtended strand (participates in β ladder)trans-128.2143.3-178.3-610000110H299 V301 Q319 A347 A365 F366H299-T353 PolarHBondContact NE2-OG1 3.38Å; H299-T353 VanDerWaalsContact NE2-OG1 3.16Å; V301-T353 HydrophobicContact CG1-CG2 4.15Å; V301-T353 HydrophobicContact CG2-CG2 3.76Å; Q319-T353 PolarHBondContact O-OG1 3.44Å; A347-T353 WeakPolarHBondContact O-CA 3.48Å; T353-A365 WeakPolarHBondContact O-CA 3.24Å; T353-F366 VanDerWaalsContact CB-CE2 3.5Å; T353-F366 VanDerWaalsContact CB-CZ 3.48Å; T353-F366 HydrophobicContact CG2-CE1 3.81Å; T353-F366 HydrophobicContact CG2-CE2 3.81Å; T353-F366 HydrophobicContact CG2-CZ 3.29Å; T353-F366 PolarHBondContact N-O 2.87Å; T353-F366 PolarHBondContact O-N 2.91Å
354L98.2Very high96Very high0 Ų026.2 Ų26.20%012%0.124CC..EExtended strand (participates in β ladder)trans-120.2145.3174.8-56.5171.6000110.3I346 A347 L363 F364 A365 I420 T427I346-L354 VanDerWaalsContact CA-O 3.29Å; I346-L354 WeakPolarHBondContact CA-O 3.23Å; A347-L354 HydrophobicContact CB-CB 4.37Å; A347-L354 HydrophobicContact CB-CD1 4.36Å; A347-L354 PolarHBondContact N-O 3.26Å; A347-L354 VanDerWaalsContact N-O 3.11Å; A347-L354 PolarHBondContact O-N 3.47Å; L354-L363 HydrophobicContact CB-CD1 4.35Å; L354-F364 CarbonylContact C-O 2.98Å; L354-F364 VanDerWaalsContact CA-O 3.27Å; L354-F364 WeakPolarHBondContact CA-O 3.08Å; L354-A365 HydrophobicContact CD2-CB 3.4Å; L354-A365 VanDerWaalsContact CD2-CB 3.4Å; L354-I420 HydrophobicContact CB-CD1 3.82Å; L354-T427 HydrophobicContact CD1-CG2 3.26Å; L354-T427 HydrophobicContact CG-CG2 4.5Å
355A98.2Very high96Very high0 Ų025.9 Ų25.90%012%0.122CC..EExtended strand (participates in β ladder)trans-143.6132.2174.700000111.5F338 V343 Q345 I346 F364F338-A355 HydrophobicContact CE1-CB 4.18Å; F338-A355 HydrophobicContact CE2-CB 3.83Å; F338-A355 HydrophobicContact CZ-CB 3.48Å; F338-A355 VanDerWaalsContact CZ-CB 3.48Å; V343-A355 HydrophobicContact CG1-CB 3.99Å; Q345-A355 WeakPolarHBondContact O-CA 3.31Å; I346-A355 HydrophobicContact CG2-CB 4.39Å; A355-F364 PolarHBondContact N-O 2.62Å; A355-F364 PolarHBondContact O-N 3.35Å
356L97.6Very high96Very high2 Ų225.8 Ų25.81%0.0112%0.121CC..EExtended strand (participates in β ladder)trans-103.3129178.6-17864.3000111.3V343 T344 Q345 P358 L363 I417 I420 P442V343-L356 WeakPolarHBondContact CA-O 2.96Å; T344-L356 PolarHBondContact N-O 2.96Å; Q345-L356 HydrophobicContact CB-CB 4.01Å; Q345-L356 HydrophobicContact CG-CB 4.38Å; Q345-L356 HydrophobicContact CG-CD2 4.12Å; Q345-L356 PolarHBondContact O-N 3.4Å; L356-P358 HydrophobicContact CD2-CG 4.47Å; L356-P358 HydrophobicContact CG-CG 4.35Å; L356-P358 WeakPolarHBondContact O-CD 3.15Å; L356-L363 HydrophobicContact CD1-CB 4.39Å; L356-I417 HydrophobicContact CD1-CB 3.97Å; L356-I417 HydrophobicContact CD1-CD1 3.97Å; L356-I417 HydrophobicContact CD1-CG2 3.97Å; L356-I417 HydrophobicContact CD2-CB 4.41Å; L356-I417 HydrophobicContact CD2-CG2 3.99Å; L356-I420 HydrophobicContact CB-CD1 4.49Å; L356-P442 HydrophobicContact CD2-CB 4.27Å
357V96.3Very high96Very high0 Ų025.6 Ų25.60%012%0.12CC..EExtended strand (participates in β ladder)trans-112.993.9171.2-178.20000109F338 N341 V343 K359 T360 G361 R362 F364F338-V357 HydrophobicContact CD1-CG2 4.33Å; N341-V357 HydrophobicContact CB-CG1 3.83Å; N341-V357 HydrophobicContact CB-CG2 4.2Å; V343-V357 HydrophobicContact CG2-CG2 3.9Å; V357-K359 VanDerWaalsContact C-N 3.34Å; V357-K359 PolarHBondContact O-N 2.87Å; V357-T360 HydrophobicContact CG1-CG2 4Å; V357-T360 WeakPolarHBondContact CG1-OG1 3.42Å; V357-T360 PolarHBondContact O-N 3.44Å; V357-T360 PolarHBondContact O-OG1 3.39Å; V357-T360 VanDerWaalsContact O-OG1 3.11Å; V357-G361 PolarHBondContact O-N 2.94Å; V357-R362 PolarHBondContact N-O 3.22Å; V357-R362 PolarHBondContact O-N 3.28Å; V357-F364 HydrophobicContact CB-CE2 4.26Å; V357-F364 HydrophobicContact CG2-CD2 4.18Å; V357-F364 HydrophobicContact CG2-CE2 3.87Å
358P92.3Very high96Very high19 Ų1926.1 Ų26.112%0.12312%0.121CC..G310 helixtrans-57.6-41.4-174.2-31.639.1000114.3T344 L356 T360 G361 S394 P442T344-P358 HydrophobicContact CG2-CG 3.64Å; T344-P358 WeakPolarHBondContact OG1-CD 3.45Å; T344-P358 WeakPolarHBondContact OG1-CG 3.33Å; L356-P358 HydrophobicContact CD2-CG 4.47Å; L356-P358 HydrophobicContact CG-CG 4.35Å; L356-P358 WeakPolarHBondContact O-CD 3.15Å; P358-T360 PolarHBondContact O-N 3.13Å; P358-G361 PolarHBondContact O-N 3.24Å; P358-S394 PolarHBondContact O-OG 3.44Å; P358-S394 VanDerWaalsContact O-OG 3.12Å; P358-P442 HydrophobicContact CB-CB 4.48Å; P358-P442 HydrophobicContact CB-CG 4.06Å; P358-P442 HydrophobicContact CG-CB 4.27Å; P358-P442 HydrophobicContact CG-CG 4.38Å
359K89.8Confident95.9Very high163 Ų16325.3 Ų25.371%0.70912%0.116SC*.G310 helixtrans-57.9-36-176.4-173.4178.9179.7-178.30112.6V357 S394V357-K359 VanDerWaalsContact C-N 3.34Å; V357-K359 PolarHBondContact O-N 2.87Å; K359-S394 VanDerWaalsContact O-CB 3.26Å; K359-S394 WeakPolarHBondContact O-CB 3.48Å; K359-S394 PolarHBondContact O-OG 2.77Å
360T89.9Confident95.8Very high56 Ų5628 Ų2834%0.34413%0.13SC..G310 helixtrans-92.4-8.3177.462.50000112.5V357 P358 R362V357-T360 HydrophobicContact CG1-CG2 4Å; V357-T360 WeakPolarHBondContact CG1-OG1 3.42Å; V357-T360 PolarHBondContact O-N 3.44Å; V357-T360 PolarHBondContact O-OG1 3.39Å; V357-T360 VanDerWaalsContact O-OG1 3.11Å; P358-T360 PolarHBondContact O-N 3.13Å; T360-R362 PolarHBondContact O-N 3.28Å; T360-R362 WeakPolarHBondContact OG1-CB 3.46Å; T360-R362 PolarHBondContact OG1-N 3.06Å
361G90Very high95.7Very high5 Ų527.1 Ų27.15%0.05213%0.13CC..THydrogen-bonded Turntrans66.211.5-170.600000113.7V357 P358 W392V357-G361 PolarHBondContact O-N 2.94Å; P358-G361 PolarHBondContact O-N 3.24Å; G361-W392 WeakPolarHBondContact O-CB 3.32Å
362R94Very high95.6Very high138 Ų13825.3 Ų25.352%0.52112%0.122SC..EExtended strand (participates in β ladder)trans-97.8131.9-171.5-64.8-171.4179.9-171.50.6112.3V357 T360 F364V357-R362 PolarHBondContact N-O 3.22Å; V357-R362 PolarHBondContact O-N 3.28Å; T360-R362 PolarHBondContact O-N 3.28Å; T360-R362 WeakPolarHBondContact OG1-CB 3.46Å; T360-R362 PolarHBondContact OG1-N 3.06Å; R362-F364 HydrophobicContact CB-CD2 4.21Å; R362-F364 HydrophobicContact CB-CE2 3.53Å; R362-F364 HydrophobicContact CB-CZ 3.95Å
363L96.7Very high95.5Very high1 Ų125.3 Ų25.31%0.00512%0.122CC..EExtended strand (participates in β ladder)trans-95.9130.9163.3175.360.2000109.3W12 L354 L356 P387 V388 I417 I420 L429W12-L363 HydrophobicContact CH2-CD2 3.91Å; W12-L363 HydrophobicContact CZ2-CD2 4.36Å; L354-L363 HydrophobicContact CB-CD1 4.35Å; L356-L363 HydrophobicContact CD1-CB 4.39Å; L363-P387 CarbonylContact O-C 3.49Å; L363-P387 WeakPolarHBondContact O-CA 3.44Å; L363-V388 HydrophobicContact CB-CB 4.37Å; L363-V388 HydrophobicContact CB-CG2 4.42Å; L363-V388 HydrophobicContact CD2-CB 4.2Å; L363-V388 HydrophobicContact CD2-CG1 4.41Å; L363-V388 HydrophobicContact CD2-CG2 4.04Å; L363-V388 HydrophobicContact CG-CB 4.15Å; L363-V388 HydrophobicContact CG-CG2 3.77Å; L363-V388 PolarHBondContact O-N 3.35Å; L363-I417 HydrophobicContact CB-CD1 3.52Å; L363-I417 HydrophobicContact CD2-CD1 4.28Å; L363-I417 HydrophobicContact CG-CD1 4.49Å; L363-I420 HydrophobicContact CD1-CD1 4.15Å; L363-I420 HydrophobicContact CD1-CG2 3.82Å; L363-I420 HydrophobicContact CD2-CG2 4.22Å; L363-L429 HydrophobicContact CD2-CD2 3.87Å
364F97.8Very high95.4Very high24 Ų2425.3 Ų25.311%0.10512%0.122CC..EExtended strand (participates in β ladder)trans-111.2142.9176.5-64.2-98.7000110.7F338 L354 A355 V357 R362 P385 C386 P387F338-F364 HydrophobicContact CE1-CB 3.92Å; F338-F364 HydrophobicContact CE1-CD1 4.21Å; F338-F364 AromaticContact CE1-CD2 3.7Å; F338-F364 HydrophobicContact CE1-CD2 3.7Å; F338-F364 HydrophobicContact CE1-CE2 4.22Å; F338-F364 AromaticContact CE1-CG 3.69Å; F338-F364 HydrophobicContact CE1-CG 3.69Å; F338-F364 HydrophobicContact CZ-CB 3.91Å; F338-F364 HydrophobicContact CZ-CD2 4.5Å; F338-F364 HydrophobicContact CZ-CG 4.21Å; L354-F364 CarbonylContact C-O 2.98Å; L354-F364 VanDerWaalsContact CA-O 3.27Å; L354-F364 WeakPolarHBondContact CA-O 3.08Å; A355-F364 PolarHBondContact N-O 2.62Å; A355-F364 PolarHBondContact O-N 3.35Å; V357-F364 HydrophobicContact CB-CE2 4.26Å; V357-F364 HydrophobicContact CG2-CD2 4.18Å; V357-F364 HydrophobicContact CG2-CE2 3.87Å; R362-F364 HydrophobicContact CB-CD2 4.21Å; R362-F364 HydrophobicContact CB-CE2 3.53Å; R362-F364 HydrophobicContact CB-CZ 3.95Å; F364-P385 HydrophobicContact CB-CB 4.07Å; F364-P385 HydrophobicContact CD1-CB 4.05Å; F364-P385 HydrophobicContact CG-CB 4.38Å; F364-C386 CarbonylContact C-O 3.55Å; F364-C386 VanDerWaalsContact CA-O 3.23Å; F364-C386 WeakPolarHBondContact CA-O 3.46Å; F364-P387 HydrophobicContact CD1-CG 4.14Å; F364-P387 HydrophobicContact CE1-CG 3.8Å
365A98.1Very high95.3Very high0 Ų025.3 Ų25.30%012%0.122CC..EExtended strand (participates in β ladder)trans-133.4145173.800000111.2T353 L354 L374 M376 C386 V388T353-A365 WeakPolarHBondContact O-CA 3.24Å; L354-A365 HydrophobicContact CD2-CB 3.4Å; L354-A365 VanDerWaalsContact CD2-CB 3.4Å; A365-L374 HydrophobicContact CB-CB 4.19Å; A365-L374 HydrophobicContact CB-CD2 4.01Å; A365-M376 HydrophobicContact CB-CE 3.89Å; A365-C386 PolarHBondContact N-O 3.24Å; A365-C386 PolarHBondContact O-N 3.29Å; A365-V388 HydrophobicContact CB-CG2 3.52Å
366F98.2Very high95Very high0 Ų026 Ų260%013%0.126CC..EExtended strand (participates in β ladder)trans-155.3157.1177.551.6-80.7000111.8G318 Q319 L320 I335 F338 H352 T353 R382 L384 P385G318-F366 WeakPolarHBondContact O-CD2 3.3Å; Q319-F366 WeakPolarHBondContact O-CD2 3.26Å; Q319-F366 WeakPolarHBondContact O-CE2 3.22Å; L320-F366 VanDerWaalsContact C-CE2 3.5Å; I335-F366 HydrophobicContact CD1-CE1 4.4Å; I335-F366 HydrophobicContact CD1-CE2 4.03Å; I335-F366 HydrophobicContact CD1-CZ 3.55Å; F338-F366 HydrophobicContact CE2-CE1 4.16Å; F338-F366 HydrophobicContact CZ-CE1 4.2Å; H352-F366 CarbonylContact C-O 3.15Å; H352-F366 VanDerWaalsContact CA-O 3.27Å; H352-F366 WeakPolarHBondContact CA-O 3.2Å; H352-F366 WeakPolarHBondContact CB-O 3.43Å; T353-F366 VanDerWaalsContact CB-CE2 3.5Å; T353-F366 VanDerWaalsContact CB-CZ 3.48Å; T353-F366 HydrophobicContact CG2-CE1 3.81Å; T353-F366 HydrophobicContact CG2-CE2 3.81Å; T353-F366 HydrophobicContact CG2-CZ 3.29Å; T353-F366 PolarHBondContact N-O 2.87Å; T353-F366 PolarHBondContact O-N 2.91Å; F366-R382 HydrophobicContact CB-CB 4.48Å; F366-L384 WeakPolarHBondContact CB-O 3.26Å; F366-P385 HydrophobicContact CD1-CB 3.87Å; F366-P385 HydrophobicContact CD1-CG 3.8Å; F366-P385 HydrophobicContact CE1-CB 4.19Å; F366-P385 HydrophobicContact CE1-CG 3.88Å; F366-P385 HydrophobicContact CG-CG 4.33Å; F366-P385 HydrophobicContact CZ-CG 4.45Å
367G97.7Very high94.8Very high0 Ų027.3 Ų27.30%014%0.14CC..EExtended strand (participates in β ladder)trans113.6-149.6-172.700000113.9Y317 F351 L374 N381 R382Y317-G367 CarbonylContact O-C 3.19Å; Y317-G367 VanDerWaalsContact O-CA 3.32Å; Y317-G367 WeakPolarHBondContact O-CA 3.26Å; Y317-G367 VanDerWaalsContact O-O 3.08Å; F351-G367 WeakPolarHBondContact O-CA 3.39Å; G367-L374 WeakPolarHBondContact O-CD1 3.37Å; G367-N381 CarbonylContact O-C 3.59Å; G367-N381 VanDerWaalsContact O-CA 3.26Å; G367-N381 WeakPolarHBondContact O-CA 3.42Å; G367-R382 PolarHBondContact N-O 3.31Å; G367-R382 PolarHBondContact O-N 3.03Å
368Q97.3Very high94.8Very high22 Ų2229.5 Ų29.510%0.10315%0.151CC..  trans-66.6132.9-178.3-172.8169.3-1800110.9Y317 F351 T370 Q373 L374 N381Y317-Q368 HydrophobicContact CD1-CB 4.45Å; Y317-Q368 HydrophobicContact CD1-CG 4.39Å; Y317-Q368 HydrophobicContact CD2-CB 4.35Å; Y317-Q368 HydrophobicContact CG-CB 3.98Å; Y317-Q368 HydrophobicContact CG-CG 4.37Å; F351-Q368 HydrophobicContact CB-CB 3.71Å; F351-Q368 VanDerWaalsContact CB-OE1 3.25Å; F351-Q368 PolarHBondContact O-N 3.48Å; Q368-T370 HydrophobicContact CG-CG2 4.11Å; Q368-T370 PolarHBondContact NE2-OG1 3.41Å; Q368-Q373 WeakPolarHBondContact O-CG 3.47Å; Q368-Q373 PolarHBondContact O-NE2 3.44Å; Q368-Q373 PolarHBondContact O-OE1 2.91Å; Q368-L374 WeakPolarHBondContact O-CD2 3.42Å; Q368-L374 WeakPolarHBondContact O-CG 3.35Å; Q368-N381 WeakPolarHBondContact CA-OD1 3.47Å
369G95.7Very high94.9Very high1 Ų131.7 Ų31.71%0.0116%0.164CC..  trans-117.21.5178.800000114.5N371 A372 Q373 T379 N381G369-N371 PolarHBondContact O-N 2.87Å; G369-N371 VanDerWaalsContact O-N 3.09Å; G369-A372 WeakPolarHBondContact O-CA 3.19Å; G369-A372 PolarHBondContact O-N 2.84Å; G369-Q373 PolarHBondContact O-OE1 2.99Å; G369-T379 CarbonylContact C-O 3.2Å; G369-T379 VanDerWaalsContact C-O 3.26Å; G369-T379 CarbonylContact O-C 3.57Å; G369-T379 WeakPolarHBondContact O-CA 3.36Å; G369-N381 PolarHBondContact N-OD1 3.13Å
370T94.9Very high95.2Very high61 Ų6130.2 Ų30.237%0.37416%0.158SC..THydrogen-bonded Turntrans-57.7-31-168.857.30000114.4Q29 Q368 T379Q29-T370 PolarHBondContact OE1-O 2.93Å; Q368-T370 HydrophobicContact CG-CG2 4.11Å; Q368-T370 PolarHBondContact NE2-OG1 3.41Å; T370-T379 PolarHBondContact N-O 2.77Å; T370-T379 WeakPolarHBondContact O-CG2 3.38Å
371N94.2Very high95.5Very high39 Ų3930.7 Ų30.721%0.20916%0.159CC..THydrogen-bonded Turntrans-105.119.8179.8-62.8-15.7000111.1G13 S14 Q29 G369 Q373 D425G13-N371 CarbonylContact C-O 3.23Å; G13-N371 WeakPolarHBondContact CA-O 3.36Å; S14-N371 PolarHBondContact N-O 3.42Å; Q29-N371 VanDerWaalsContact OE1-CA 3.31Å; G369-N371 PolarHBondContact O-N 2.87Å; G369-N371 VanDerWaalsContact O-N 3.09Å; N371-Q373 VanDerWaalsContact C-OE1 3.27Å; N371-Q373 PolarHBondContact O-N 3.36Å; N371-Q373 VanDerWaalsContact O-N 3.13Å; N371-D425 HydrophobicContact CB-CB 3.97Å; N371-D425 PolarHBondContact ND2-OD2 3.26Å
372A94.6Very high95.9Very high0 Ų033.6 Ų33.60%017%0.168CC..SBendtrans59.118.2-17900000116.3Q29 L31 G369 L374 G375 T379Q29-A372 HydrophobicContact CB-CB 4.49Å; L31-A372 HydrophobicContact CB-CB 4.48Å; L31-A372 HydrophobicContact CD2-CB 3.39Å; L31-A372 HydrophobicContact CG-CB 4.43Å; G369-A372 WeakPolarHBondContact O-CA 3.19Å; G369-A372 PolarHBondContact O-N 2.84Å; A372-L374 PolarHBondContact O-N 2.84Å; A372-G375 PolarHBondContact O-N 2.93Å; A372-T379 HydrophobicContact CB-CG2 4.39Å
373Q95.1Very high96Very high0 Ų029.7 Ų29.70%016%0.157CC..THydrogen-bonded Turntrans-60-12.6-178.361.8-95.766.100114.9W12 H352 Q368 G369 N371 D425 T427W12-Q373 PolarHBondContact NE1-O 3.41Å; H352-Q373 HydrophobicContact CB-CG 4.32Å; Q368-Q373 WeakPolarHBondContact O-CG 3.47Å; Q368-Q373 PolarHBondContact O-NE2 3.44Å; Q368-Q373 PolarHBondContact O-OE1 2.91Å; G369-Q373 PolarHBondContact O-OE1 2.99Å; N371-Q373 VanDerWaalsContact C-OE1 3.27Å; N371-Q373 PolarHBondContact O-N 3.36Å; N371-Q373 VanDerWaalsContact O-N 3.13Å; Q373-D425 WeakPolarHBondContact CB-O 3.32Å; Q373-T427 PolarHBondContact O-OG1 3Å; Q373-T427 VanDerWaalsContact O-OG1 3.13Å
374L96.5Very high96.1Very high1 Ų131.9 Ų31.91%0.00517%0.169CC..THydrogen-bonded Turntrans-86.1-17176.5-54.4-178000113.8H352 A365 G367 Q368 A372 M376 R382H352-L374 HydrophobicContact CB-CD2 3.69Å; A365-L374 HydrophobicContact CB-CB 4.19Å; A365-L374 HydrophobicContact CB-CD2 4.01Å; G367-L374 WeakPolarHBondContact O-CD1 3.37Å; Q368-L374 WeakPolarHBondContact O-CD2 3.42Å; Q368-L374 WeakPolarHBondContact O-CG 3.35Å; A372-L374 PolarHBondContact O-N 2.84Å; L374-M376 HydrophobicContact CB-CE 4.48Å; L374-M376 HydrophobicContact CB-CG 3.91Å; L374-M376 WeakPolarHBondContact O-CE 3Å; L374-R382 HydrophobicContact CD1-CB 4Å; L374-R382 HydrophobicContact CD1-CG 3.57Å
375G95.4Very high96.1Very high0 Ų031.2 Ų31.20%017%0.167CC..  trans71.431.1175.200000114.5W12 L31 A372 K389W12-G375 VanDerWaalsContact NE1-N 3.15Å; L31-G375 CarbonylContact O-C 3.26Å; L31-G375 VanDerWaalsContact O-C 3.23Å; L31-G375 WeakPolarHBondContact O-CA 3.44Å; A372-G375 PolarHBondContact O-N 2.93Å; G375-K389 PolarHBondContact O-N 2.9Å
376M93.8Very high96Very high14 Ų1432.7 Ų32.77%0.06918%0.177CC..SBendtrans-97.9-1.6-173.1-61.1-61.8167.300114.2L31 A365 L374 D378 C386 P387 V388 K389L31-M376 PolarHBondContact O-N 2.78Å; A365-M376 HydrophobicContact CB-CE 3.89Å; L374-M376 HydrophobicContact CB-CE 4.48Å; L374-M376 HydrophobicContact CB-CG 3.91Å; L374-M376 WeakPolarHBondContact O-CE 3Å; M376-D378 VanDerWaalsContact C-N 3.28Å; M376-C386 HydrophobicContact CE-CB 3.63Å; M376-C386 WeakPolarHBondContact CE-O 3.43Å; M376-C386 HydrophobicContact SD-CB 4.19Å; M376-P387 WeakPolarHBondContact CE-O 3.26Å; M376-V388 HydrophobicContact CE-CB 4.38Å; M376-V388 HydrophobicContact CE-CG2 3.89Å; M376-K389 WeakPolarHBondContact O-CD 3.43Å; M376-K389 WeakPolarHBondContact O-CE 3.44Å; M376-K389 PolarHBondContact O-NZ 2.89Å
377G93.3Very high95.9Very high30 Ų3035.7 Ų35.731%0.30920%0.196SC..SBendtrans798.6-172.800000114.3L31L31-G377 WeakPolarHBondContact O-CA 3.43Å; L31-G377 PolarHBondContact O-N 3.14Å
378D94.3Very high95.9Very high45 Ų4536 Ų3624%0.24120%0.198CC..SBendtrans-146.7174.9173.563.927.6000110.9M376 K380 R382M376-D378 VanDerWaalsContact C-N 3.28Å; D378-K380 PolarHBondContact OD1-N 2.98Å; D378-R382 IonicContact OD1-CZ 3.91Å; D378-R382 IonicContact OD1-NH2 2.88Å; D378-R382 PolarHBondContact OD1-NH2 3.17Å; D378-R382 IonicContact OD2-CZ 2.8Å; D378-R382 IonicContact OD2-NH2 3.94Å; D378-R382 PolarHBondContact OD2-NH2 3.45Å
379T95.5Very high95.7Very high65 Ų6540.4 Ų40.440%0.39922%0.217SC..  trans-103.923-178.453.40000113.4L31 G369 T370 A372L31-T379 HydrophobicContact CD2-CG2 4.03Å; G369-T379 CarbonylContact C-O 3.2Å; G369-T379 VanDerWaalsContact C-O 3.26Å; G369-T379 CarbonylContact O-C 3.57Å; G369-T379 WeakPolarHBondContact O-CA 3.36Å; T370-T379 PolarHBondContact N-O 2.77Å; T370-T379 WeakPolarHBondContact O-CG2 3.38Å; A372-T379 HydrophobicContact CB-CG2 4.39Å
380K96.3Very high95.4Very high132 Ų13242.4 Ų42.457%0.57424%0.238SC*.  trans-87.5139.2-174.2-65.3-179.8-177.9174.80111.4D378D378-K380 PolarHBondContact OD1-N 2.98Å
381N96.9Very high95.1Very high67 Ų6744.8 Ų44.836%0.35824%0.244SC..  trans-64.1148.5169.7-60.2-18.1000110.6G367 Q368 G369G367-N381 CarbonylContact O-C 3.59Å; G367-N381 VanDerWaalsContact O-CA 3.26Å; G367-N381 WeakPolarHBondContact O-CA 3.42Å; Q368-N381 WeakPolarHBondContact CA-OD1 3.47Å; G369-N381 PolarHBondContact N-OD1 3.13Å
382R97.5Very high95Very high66 Ų6644.5 Ų44.525%0.24924%0.24CC..EExtended strand (participates in β ladder)trans-124120.9176.9-57.7-62171.5-179.10.7109.8F366 G367 L374 D378 C386F366-R382 HydrophobicContact CB-CB 4.48Å; G367-R382 PolarHBondContact N-O 3.31Å; G367-R382 PolarHBondContact O-N 3.03Å; L374-R382 HydrophobicContact CD1-CB 4Å; L374-R382 HydrophobicContact CD1-CG 3.57Å; D378-R382 IonicContact OD1-CZ 3.91Å; D378-R382 IonicContact OD1-NH2 2.88Å; D378-R382 PolarHBondContact OD1-NH2 3.17Å; D378-R382 IonicContact OD2-CZ 2.8Å; D378-R382 IonicContact OD2-NH2 3.94Å; D378-R382 PolarHBondContact OD2-NH2 3.45Å; R382-C386 HydrophobicContact CG-CB 4.32Å
383L96.9Very high94.8Very high55 Ų5546.6 Ų46.629%0.28825%0.253SS..EExtended strand (participates in β ladder)trans-84.2-13.7179.3-53.7-176.7000113.4G318 G321 H322 N323G318-L383 VanDerWaalsContact CA-CD2 3.43Å; G321-L383 CarbonylContact C-O 3.53Å; G321-L383 VanDerWaalsContact CA-O 3.24Å; G321-L383 WeakPolarHBondContact CA-O 3.31Å; H322-L383 PolarHBondContact N-O 3.29Å; N323-L383 WeakPolarHBondContact CA-O 3.41Å; N323-L383 PolarHBondContact N-O 3Å
384L97.4Very high94.4Very high47 Ų4747.5 Ų47.525%0.24626%0.26CS..EExtended strand (participates in β ladder)trans-123.8151.6177.1-78173.8000110N323 E337 F366 C386N323-L384 HydrophobicContact CB-CD1 3.97Å; N323-L384 HydrophobicContact CB-CD2 3.66Å; N323-L384 HydrophobicContact CB-CG 3.65Å; E337-L384 HydrophobicContact CG-CD2 3.74Å; F366-L384 WeakPolarHBondContact CB-O 3.26Å; L384-C386 PolarHBondContact O-N 2.96Å; L384-C386 PolarHBondContact O-SG 3Å
385P97.7Very high93.3Very high10 Ų1048.3 Ų48.37%0.06527%0.265CS..EExtended strand (participates in β ladder)trans-50.8113.3167.3-26.134000112.1G321 I335 E337 F338 F364 F366G321-P385 WeakPolarHBondContact O-CD 3.34Å; I335-P385 HydrophobicContact CG2-CG 3.75Å; E337-P385 HydrophobicContact CB-CB 4.42Å; E337-P385 HydrophobicContact CB-CG 4.06Å; E337-P385 HydrophobicContact CG-CG 4.37Å; F338-P385 HydrophobicContact CE1-CB 3.96Å; F338-P385 HydrophobicContact CE1-CG 4.38Å; F338-P385 HydrophobicContact CE2-CB 4.19Å; F338-P385 HydrophobicContact CE2-CG 3.82Å; F338-P385 HydrophobicContact CZ-CB 3.53Å; F338-P385 HydrophobicContact CZ-CG 3.7Å; F364-P385 HydrophobicContact CB-CB 4.07Å; F364-P385 HydrophobicContact CD1-CB 4.05Å; F364-P385 HydrophobicContact CG-CB 4.38Å; F366-P385 HydrophobicContact CD1-CB 3.87Å; F366-P385 HydrophobicContact CD1-CG 3.8Å; F366-P385 HydrophobicContact CE1-CB 4.19Å; F366-P385 HydrophobicContact CE1-CG 3.88Å; F366-P385 HydrophobicContact CG-CG 4.33Å; F366-P385 HydrophobicContact CZ-CG 4.45Å
386C96.7Very high92Very high32 Ų3254.2 Ų54.222%0.21629%0.292CS..EExtended strand (participates in β ladder)trans-110.3138.4178.6-69.30000109.7F364 A365 M376 R382 L384 V388F364-C386 CarbonylContact C-O 3.55Å; F364-C386 VanDerWaalsContact CA-O 3.23Å; F364-C386 WeakPolarHBondContact CA-O 3.46Å; A365-C386 PolarHBondContact N-O 3.24Å; A365-C386 PolarHBondContact O-N 3.29Å; M376-C386 HydrophobicContact CE-CB 3.63Å; M376-C386 WeakPolarHBondContact CE-O 3.43Å; M376-C386 HydrophobicContact SD-CB 4.19Å; R382-C386 HydrophobicContact CG-CB 4.32Å; L384-C386 PolarHBondContact O-N 2.96Å; L384-C386 PolarHBondContact O-SG 3Å; C386-V388 PolarHBondContact O-N 3.41Å
387P96.2Very high90.2Very high62 Ų6261.4 Ų61.440%0.40332%0.323SS..EExtended strand (participates in β ladder)trans-63.8125.7175.3-21.232.1000112L363 F364 M376L363-P387 CarbonylContact O-C 3.49Å; L363-P387 WeakPolarHBondContact O-CA 3.44Å; F364-P387 HydrophobicContact CD1-CG 4.14Å; F364-P387 HydrophobicContact CE1-CG 3.8Å; M376-P387 WeakPolarHBondContact CE-O 3.26Å
388V96.7Very high87.9Confident6 Ų664.5 Ų64.54%0.03634%0.34CS..PPolyproline II helixtrans-68.1135.9176.9179.90000109.7W12 P33 L363 A365 M376 C386 G390 W392W12-V388 HydrophobicContact CH2-CG1 4.49Å; W12-V388 HydrophobicContact CZ2-CG1 4.05Å; P33-V388 HydrophobicContact CG-CG1 3.57Å; L363-V388 HydrophobicContact CB-CB 4.37Å; L363-V388 HydrophobicContact CB-CG2 4.42Å; L363-V388 HydrophobicContact CD2-CB 4.2Å; L363-V388 HydrophobicContact CD2-CG1 4.41Å; L363-V388 HydrophobicContact CD2-CG2 4.04Å; L363-V388 HydrophobicContact CG-CB 4.15Å; L363-V388 HydrophobicContact CG-CG2 3.77Å; L363-V388 PolarHBondContact O-N 3.35Å; A365-V388 HydrophobicContact CB-CG2 3.52Å; M376-V388 HydrophobicContact CE-CB 4.38Å; M376-V388 HydrophobicContact CE-CG2 3.89Å; C386-V388 PolarHBondContact O-N 3.41Å; V388-G390 PolarHBondContact O-N 2.84Å; V388-W392 PolarHBondContact O-NE1 3.49Å
389K93.4Very high85.5Confident115 Ų11568.5 Ų68.550%0.537%0.372SS..SBendtrans-63.6136.6179.8-74.2-175.2172.4163.90111I32 P33 G375 M376I32-K389 HydrophobicContact CG2-CB 4.16Å; I32-K389 HydrophobicContact CG2-CD 3.83Å; P33-K389 WeakPolarHBondContact CD-O 3.07Å; P33-K389 WeakPolarHBondContact CG-O 3.13Å; G375-K389 PolarHBondContact O-N 2.9Å; M376-K389 WeakPolarHBondContact O-CD 3.43Å; M376-K389 WeakPolarHBondContact O-CE 3.44Å; M376-K389 PolarHBondContact O-NZ 2.89Å
390G89.8Confident82.6Confident44 Ų4469.4 Ų69.445%0.45438%0.381SS..SBendtrans156.3170.7175.300000111.7V388 W392V388-G390 PolarHBondContact O-N 2.84Å; G390-W392 VanDerWaalsContact C-N 3.27Å; G390-W392 PolarHBondContact O-N 3.47Å
391H89.7Confident79.8Confident110 Ų11071.3 Ų71.351%0.50940%0.397SS..  trans-92.959.2-177.5-60.197.9000110.4S412 K413 Y415H391-S412 VanDerWaalsContact CD2-CB 3.41Å; H391-S412 WeakPolarHBondContact CD2-CB 3.2Å; H391-S412 PolarHBondContact CD2-OG 3.44Å; H391-S412 VanDerWaalsContact NE2-CB 3.28Å; H391-S412 WeakPolarHBondContact NE2-CB 3.42Å; H391-K413 WeakPolarHBondContact CB-O 3.26Å; H391-Y415 PolarHBondContact O-N 3.44Å
392W92Very high76.7Confident33 Ų3376.3 Ų76.313%0.12542%0.418CS..BIsolated β-bridgetrans-86.4131.2-175.8-42.2125.6000111.3F10 P33 G361 V388 G390 Y415 I417 L429 A431F10-W392 AromaticContact CD1-CH2 3.93Å; F10-W392 HydrophobicContact CD1-CH2 3.93Å; F10-W392 HydrophobicContact CD2-CH2 4.29Å; F10-W392 HydrophobicContact CD2-CZ3 4.47Å; F10-W392 HydrophobicContact CE1-CH2 4.14Å; F10-W392 HydrophobicContact CE2-CH2 4.49Å; F10-W392 HydrophobicContact CE2-CZ3 4.36Å; F10-W392 HydrophobicContact CG-CH2 4.03Å; F10-W392 HydrophobicContact CZ-CH2 4.42Å; F10-W392 HydrophobicContact CZ-CZ3 4.41Å; P33-W392 HydrophobicContact CB-CH2 4.26Å; P33-W392 HydrophobicContact CB-CZ2 3.84Å; P33-W392 HydrophobicContact CG-CZ2 4.03Å; G361-W392 WeakPolarHBondContact O-CB 3.32Å; V388-W392 PolarHBondContact O-NE1 3.49Å; G390-W392 VanDerWaalsContact C-N 3.27Å; G390-W392 PolarHBondContact O-N 3.47Å; W392-Y415 CarbonylContact C-O 2.88Å; W392-Y415 WeakPolarHBondContact CA-O 3.17Å; W392-I417 HydrophobicContact CB-CD1 4.08Å; W392-I417 HydrophobicContact CB-CG1 4.35Å; W392-I417 HydrophobicContact CD2-CD1 3.71Å; W392-I417 HydrophobicContact CD2-CG1 3.89Å; W392-I417 HydrophobicContact CE3-CD1 4.06Å; W392-I417 HydrophobicContact CE3-CG1 3.69Å; W392-I417 HydrophobicContact CG-CD1 3.71Å; W392-I417 HydrophobicContact CG-CG1 4.19Å; W392-I417 HydrophobicContact CZ3-CG1 4.35Å; W392-L429 HydrophobicContact CH2-CD1 3.84Å; W392-L429 HydrophobicContact CH2-CD2 3.73Å; W392-L429 HydrophobicContact CH2-CG 4.41Å; W392-L429 HydrophobicContact CZ2-CD2 3.71Å; W392-L429 HydrophobicContact CZ3-CD1 4Å; W392-L429 HydrophobicContact CZ3-CD2 4.41Å; W392-A431 HydrophobicContact CZ3-CB 4.2Å
393V89.5Confident73.6Confident45 Ų4578.4 Ų78.427%0.27344%0.443SS..  trans-126.2155.3178.1-62.20000111.3P414 Y415 I416 Y434V393-P414 HydrophobicContact CG1-CB 3.73Å; V393-P414 HydrophobicContact CG2-CB 3.99Å; V393-Y415 PolarHBondContact N-O 3.01Å; V393-I416 HydrophobicContact CG2-CG1 3.99Å; V393-Y434 HydrophobicContact CG2-CD2 3.86Å; V393-Y434 HydrophobicContact CG2-CG 4.01Å
394S86Confident70.5Confident19 Ų1981.7 Ų81.713%0.13347%0.466CS..  trans-77.3149.5173.1-178.50000111P358 K359 H396P358-S394 PolarHBondContact O-OG 3.44Å; P358-S394 VanDerWaalsContact O-OG 3.12Å; K359-S394 VanDerWaalsContact O-CB 3.26Å; K359-S394 WeakPolarHBondContact O-CB 3.48Å; K359-S394 PolarHBondContact O-OG 2.77Å; S394-H396 VanDerWaalsContact C-N 3.31Å; S394-H396 PolarHBondContact OG-N 3.45Å
395S73.8Confident67.5Low17 Ų1785.6 Ų85.612%0.11949%0.491CS..SBendtrans-71.1-28.6171.270.20000112.3K397 V440S395-K397 PolarHBondContact O-N 3.05Å; S395-V440 WeakPolarHBondContact CB-O 3.3Å
396H68.8Low64.4Low124 Ų12488.1 Ų88.157%0.57452%0.519SS*.  trans-92.390.4-178-56.2-70.3000110.2S394 S398S394-H396 VanDerWaalsContact C-N 3.31Å; S394-H396 PolarHBondContact OG-N 3.45Å; H396-S398 PolarHBondContact O-N 2.99Å
397K55Low61.4Low166 Ų16692.6 Ų92.672%0.72255%0.546SS*.  trans-71.2114.3163.4-81.8-165.5-179.5-176.60109.5S395 Y434S395-K397 PolarHBondContact O-N 3.05Å; K397-Y434 WeakPolarHBondContact CD-OH 3.48Å; K397-Y434 WeakPolarHBondContact CE-OH 3.48Å
398S45.4Very low58.6Low95 Ų9597.1 Ų97.166%0.66457%0.566SS**  trans-61.8130.9164.650.60000110H396 S400H396-S398 PolarHBondContact O-N 2.99Å; S398-S400 VanDerWaalsContact C-N 3.28Å; S398-S400 PolarHBondContact O-N 3.01Å
399S43.9Very low55.9Low128 Ų128102.6 Ų102.690%0.89561%0.605SS**SBendtrans-63.186163.252.90000110.1
400S35.2Very low53.5Low85 Ų85101.5 Ų101.559%0.59461%0.612SS**  trans-153.3119.3161.554.40000109.5S398 E402S398-S400 VanDerWaalsContact C-N 3.28Å; S398-S400 PolarHBondContact O-N 3.01Å; S400-E402 PolarHBondContact O-N 3.37Å
401N37.5Very low51.5Low172 Ų172105.5 Ų105.592%0.9263%0.633SS**  trans-58.287.9175.4-69.4-29.6000111.2
402E32.1Very low50.3Low171 Ų171103.4 Ų103.480%0.79963%0.63SS**  trans-106.386.8155-78.4-167.9168.500108.7S400 T404S400-E402 PolarHBondContact O-N 3.37Å; E402-T404 PolarHBondContact O-N 2.95Å
403S31.8Very low49.7Very low110 Ų110107.2 Ų107.277%0.76965%0.648SS**  trans-59.684.2158.550.60000109.8
404T31.3Very low49.6Very low124 Ų124107.4 Ų107.476%0.76165%0.65SS**  trans-124.171.3151.942.80000108E402 G406E402-T404 PolarHBondContact O-N 2.95Å; T404-G406 PolarHBondContact O-N 3.25Å
405V34.5Very low49.8Very low130 Ų130107.5 Ų107.579%0.78865%0.648SS**  trans-68.877.2154.6-178.70000105.9T407V405-T407 HydrophobicContact CG1-CG2 4.36Å; V405-T407 PolarHBondContact O-N 3.41Å
406G34.1Very low50.6Low63 Ų63106.8 Ų106.865%0.64964%0.643SS**  trans-64107.6157.300000106.2T404 D408T404-G406 PolarHBondContact O-N 3.25Å; G406-D408 PolarHBondContact O-N 3.15Å
407T33.8Very low51.7Low126 Ų126101.2 Ų101.277%0.77362%0.617SS**  trans-67.869.3171.746.20000109.7V405V405-T407 HydrophobicContact CG1-CG2 4.36Å; V405-T407 PolarHBondContact O-N 3.41Å
408D37.3Very low53.4Low156 Ų15695.6 Ų95.683%0.83459%0.591SS**  trans-99.7110.4162.4-84.7-14.4000108.7G406 S410G406-D408 PolarHBondContact O-N 3.15Å; D408-S410 PolarHBondContact O-N 2.89Å; D408-S410 VanDerWaalsContact O-N 3.13Å
409S38.6Very low55.7Low122 Ų12294.3 Ų94.385%0.85357%0.572SS**  trans-6993.2176.5400000110.6
410S42.5Very low58.2Low92 Ų9288.8 Ų88.864%0.64353%0.532SS*.  trans-174.698.3145.549.30000112.5D408 S412D408-S410 PolarHBondContact O-N 2.89Å; D408-S410 VanDerWaalsContact O-N 3.13Å; S410-S412 VanDerWaalsContact C-N 3.31Å; S410-S412 PolarHBondContact O-N 2.69Å
411S48.4Very low61Low128 Ų12885.5 Ų85.590%0.89551%0.507SS*.  trans26.837.7139.171.10000121.8
412S64.9Low63.7Low65 Ų6578.1 Ų78.146%0.45547%0.469SS..  trans-91.8115.3175.166.80000111.2H391 S410 P414H391-S412 VanDerWaalsContact CD2-CB 3.41Å; H391-S412 WeakPolarHBondContact CD2-CB 3.2Å; H391-S412 PolarHBondContact CD2-OG 3.44Å; H391-S412 VanDerWaalsContact NE2-CB 3.28Å; H391-S412 WeakPolarHBondContact NE2-CB 3.42Å; S410-S412 VanDerWaalsContact C-N 3.31Å; S410-S412 PolarHBondContact O-N 2.69Å; S412-P414 WeakPolarHBondContact O-CD 3.43Å
413K78.7Confident66.4Low114 Ų11470.2 Ų70.250%0.49643%0.433SS..  trans-71125.6175.7-66.3173.9176.2-176.70109H391 Y415 M433H391-K413 WeakPolarHBondContact CB-O 3.26Å; K413-Y415 HydrophobicContact CB-CD2 4.49Å; K413-Y415 HydrophobicContact CB-CE2 3.63Å; K413-Y415 WeakPolarHBondContact CD-OH 3.48Å; K413-Y415 WeakPolarHBondContact O-CD2 3.28Å; K413-Y415 WeakPolarHBondContact O-CE2 3.34Å; K413-M433 HydrophobicContact CB-CG 4.43Å; K413-M433 HydrophobicContact CB-SD 4.35Å; K413-M433 HydrophobicContact CD-SD 3.86Å; K413-M433 HydrophobicContact CG-SD 4.19Å
414P87.2Confident69.2Low49 Ų4965 Ų6532%0.31840%0.397SS..  trans-77.7140.6174.128.2-30.9000111.3V393 S412 Y434V393-P414 HydrophobicContact CG1-CB 3.73Å; V393-P414 HydrophobicContact CG2-CB 3.99Å; S412-P414 WeakPolarHBondContact O-CD 3.43Å; P414-Y434 HydrophobicContact CG-CD1 4.47Å; P414-Y434 PolarHBondContact O-N 3.34Å
415Y90.4Very high72.3Confident20 Ų2059.5 Ų59.58%0.07836%0.363CS..EExtended strand (participates in β ladder)trans-127.9140-177.8-66.6-88.5000112.5E8 F10 H391 W392 V393 K413 A431 Q432 M433E8-Y415 HydrophobicContact CB-CE1 4.2Å; E8-Y415 VanDerWaalsContact CD-CE1 3.41Å; E8-Y415 HydrophobicContact CG-CE1 4.11Å; E8-Y415 PolarHBondContact OE1-OH 2.53Å; E8-Y415 VanDerWaalsContact OE1-OH 3.1Å; E8-Y415 WeakPolarHBondContact OE2-CE1 3.02Å; E8-Y415 PolarHBondContact OE2-OH 2.85Å; F10-Y415 HydrophobicContact CE2-CD1 4.13Å; F10-Y415 HydrophobicContact CE2-CE1 4.17Å; F10-Y415 HydrophobicContact CE2-CG 4.36Å; F10-Y415 HydrophobicContact CZ-CD1 4.25Å; F10-Y415 HydrophobicContact CZ-CD2 4.02Å; F10-Y415 HydrophobicContact CZ-CE1 4.08Å; F10-Y415 AromaticContact CZ-CE2 3.84Å; F10-Y415 HydrophobicContact CZ-CE2 3.84Å; F10-Y415 HydrophobicContact CZ-CG 4.23Å; F10-Y415 AromaticContact CZ-CZ 3.88Å; H391-Y415 PolarHBondContact O-N 3.44Å; W392-Y415 CarbonylContact C-O 2.88Å; W392-Y415 WeakPolarHBondContact CA-O 3.17Å; V393-Y415 PolarHBondContact N-O 3.01Å; K413-Y415 HydrophobicContact CB-CD2 4.49Å; K413-Y415 HydrophobicContact CB-CE2 3.63Å; K413-Y415 WeakPolarHBondContact CD-OH 3.48Å; K413-Y415 WeakPolarHBondContact O-CD2 3.28Å; K413-Y415 WeakPolarHBondContact O-CE2 3.34Å; Y415-A431 HydrophobicContact CD1-CB 4.32Å; Y415-A431 HydrophobicContact CG-CB 4.48Å; Y415-Q432 CarbonylContact C-O 3.51Å; Y415-Q432 WeakPolarHBondContact CA-O 3.46Å; Y415-M433 HydrophobicContact CD1-CB 4.16Å; Y415-M433 HydrophobicContact CE1-CB 3.96Å; Y415-M433 HydrophobicContact CE1-CG 4.37Å
416I90.6Very high75.2Confident3 Ų353.3 Ų53.32%0.01533%0.326CS..EExtended strand (participates in β ladder)trans-93.6123.4167.5-61.8170.3000108V393 R418 A431 Q432 Y434 V440 P442V393-I416 HydrophobicContact CG2-CG1 3.99Å; I416-R418 PolarHBondContact O-N 3.5Å; I416-A431 CarbonylContact O-C 3.56Å; I416-A431 VanDerWaalsContact O-CA 3.22Å; I416-A431 WeakPolarHBondContact O-CA 3.38Å; I416-A431 WeakPolarHBondContact O-CB 3.35Å; I416-Q432 PolarHBondContact N-O 3.2Å; I416-Q432 PolarHBondContact O-N 3.27Å; I416-Y434 HydrophobicContact CD1-CD2 3.76Å; I416-Y434 HydrophobicContact CG1-CD2 4.06Å; I416-V440 HydrophobicContact CD1-CB 3.74Å; I416-V440 HydrophobicContact CD1-CG2 4.1Å; I416-V440 HydrophobicContact CG2-CB 4.45Å; I416-V440 HydrophobicContact CG2-CG1 4.35Å; I416-P442 HydrophobicContact CG2-CG 4.04Å
417I93.3Very high78.1Confident6 Ų650.3 Ų50.33%0.03130%0.295CS..EExtended strand (participates in β ladder)trans-72.4123175.2-57.8176000108.9L356 L363 W392 I420 P442L356-I417 HydrophobicContact CD1-CB 3.97Å; L356-I417 HydrophobicContact CD1-CD1 3.97Å; L356-I417 HydrophobicContact CD1-CG2 3.97Å; L356-I417 HydrophobicContact CD2-CB 4.41Å; L356-I417 HydrophobicContact CD2-CG2 3.99Å; L363-I417 HydrophobicContact CB-CD1 3.52Å; L363-I417 HydrophobicContact CD2-CD1 4.28Å; L363-I417 HydrophobicContact CG-CD1 4.49Å; W392-I417 HydrophobicContact CB-CD1 4.08Å; W392-I417 HydrophobicContact CB-CG1 4.35Å; W392-I417 HydrophobicContact CD2-CD1 3.71Å; W392-I417 HydrophobicContact CD2-CG1 3.89Å; W392-I417 HydrophobicContact CE3-CD1 4.06Å; W392-I417 HydrophobicContact CE3-CG1 3.69Å; W392-I417 HydrophobicContact CG-CD1 3.71Å; W392-I417 HydrophobicContact CG-CG1 4.19Å; W392-I417 HydrophobicContact CZ3-CG1 4.35Å; I417-I420 HydrophobicContact CG2-CG2 3.95Å; I417-P442 WeakPolarHBondContact O-CB 3.32Å; I417-P442 WeakPolarHBondContact O-CG 3.47Å
418R90.6Very high81Confident48 Ų4844.3 Ų44.318%0.18126%0.258CS..EExtended strand (participates in β ladder)trans-95.3-43.4177.6-71.7-170.458.164.718.2112.6E7 Q345 I416 L430 Q432 V440 D441 D443E7-R418 WeakPolarHBondContact OE1-CD 3.32Å; E7-R418 IonicContact OE1-CZ 2.6Å; E7-R418 IonicContact OE1-NE 3.99Å; E7-R418 PolarHBondContact OE1-NE 2.81Å; Q345-R418 PolarHBondContact NE2-O 2.83Å; I416-R418 PolarHBondContact O-N 3.5Å; R418-L430 PolarHBondContact N-O 2.81Å; R418-Q432 HydrophobicContact CG-CB 4.41Å; R418-V440 HydrophobicContact CG-CG1 3.99Å; R418-V440 VanDerWaalsContact NH1-CG1 3.29Å; R418-D441 PolarHBondContact NH1-O 3.41Å; R418-D443 IonicContact NH2-OD1 3.86Å; R418-D443 PolarHBondContact NH2-OD1 2.87Å; R418-D443 PolarHBondContact O-N 3.46Å; R418-D443 VanDerWaalsContact O-N 3.1Å
419R92.9Very high83.7Confident69 Ų6936.9 Ų36.926%0.2622%0.218SC..EExtended strand (participates in β ladder)trans-152.2143.6-176.1-161.9162.3177.8156.9-12.4113.2F421 L429 L430 D443R419-F421 HydrophobicContact CB-CE2 4.05Å; R419-F421 HydrophobicContact CB-CZ 4.04Å; R419-F421 HydrophobicContact CG-CE1 3.87Å; R419-F421 HydrophobicContact CG-CE2 3.9Å; R419-F421 HydrophobicContact CG-CZ 3.49Å; R419-F421 VanDerWaalsContact CG-CZ 3.49Å; R419-L429 CarbonylContact O-C 3.47Å; R419-L429 VanDerWaalsContact O-CA 3.26Å; R419-L429 WeakPolarHBondContact O-CA 3.25Å; R419-L430 HydrophobicContact CB-CB 4.47Å; R419-L430 PolarHBondContact N-O 3.16Å; R419-L430 PolarHBondContact O-N 3.14Å; R419-D443 WeakPolarHBondContact CD-OD2 3.42Å; R419-D443 IonicContact CZ-OD2 2.87Å; R419-D443 IonicContact NE-OD2 3.07Å; R419-D443 IonicContact NH1-OD2 3.33Å; R419-D443 PolarHBondContact NH1-OD2 3.21Å
420I95.8Very high86.2Confident11 Ų1131.5 Ų31.56%0.05618%0.18CC..EExtended strand (participates in β ladder)trans-115.5143.9178.162.2169.9000111.9Q345 A347 L354 L356 L363 I417 L429Q345-I420 HydrophobicContact CB-CD1 3.98Å; Q345-I420 HydrophobicContact CB-CG1 3.93Å; Q345-I420 VanDerWaalsContact OE1-N 3.09Å; A347-I420 HydrophobicContact CB-CD1 4.14Å; A347-I420 HydrophobicContact CB-CG1 4.23Å; L354-I420 HydrophobicContact CB-CD1 3.82Å; L356-I420 HydrophobicContact CB-CD1 4.49Å; L363-I420 HydrophobicContact CD1-CD1 4.15Å; L363-I420 HydrophobicContact CD1-CG2 3.82Å; L363-I420 HydrophobicContact CD2-CG2 4.22Å; I417-I420 HydrophobicContact CG2-CG2 3.95Å; I420-L429 HydrophobicContact CG2-CB 4.34Å
421F95.5Very high88.6Confident16 Ų1627.1 Ų27.17%0.0715%0.149CC..EExtended strand (participates in β ladder)trans-141.3138.9178.8-47.7-86.5000109.8I47 R419 T427 Y428 L430I47-F421 HydrophobicContact CB-CB 4.29Å; I47-F421 HydrophobicContact CB-CD1 4.09Å; I47-F421 HydrophobicContact CB-CD2 3.86Å; I47-F421 HydrophobicContact CB-CE1 4.28Å; I47-F421 HydrophobicContact CB-CE2 4.08Å; I47-F421 HydrophobicContact CB-CG 3.83Å; I47-F421 HydrophobicContact CB-CZ 4.25Å; I47-F421 HydrophobicContact CD1-CD2 4.08Å; I47-F421 HydrophobicContact CD1-CE2 4.04Å; I47-F421 HydrophobicContact CG1-CD2 4.18Å; I47-F421 HydrophobicContact CG1-CE2 4.02Å; I47-F421 HydrophobicContact CG1-CZ 4.29Å; I47-F421 WeakPolarHBondContact O-CD1 3.44Å; I47-F421 WeakPolarHBondContact O-CE1 3.34Å; R419-F421 HydrophobicContact CB-CE2 4.05Å; R419-F421 HydrophobicContact CB-CZ 4.04Å; R419-F421 HydrophobicContact CG-CE1 3.87Å; R419-F421 HydrophobicContact CG-CE2 3.9Å; R419-F421 HydrophobicContact CG-CZ 3.49Å; R419-F421 VanDerWaalsContact CG-CZ 3.49Å; F421-T427 VanDerWaalsContact O-CG2 3.26Å; F421-T427 WeakPolarHBondContact O-CG2 3.14Å; F421-Y428 PolarHBondContact N-O 2.96Å; F421-Y428 PolarHBondContact O-N 3.5Å; F421-L430 HydrophobicContact CE2-CD1 3.87Å; F421-L430 HydrophobicContact CE2-CG 4.03Å; F421-L430 HydrophobicContact CZ-CD1 4.16Å
422S94.3Very high90.4Very high18 Ų1822.2 Ų22.213%0.12611%0.112CC..EExtended strand (participates in β ladder)trans-128.2138.7179-171.50000110.2C348 G349 H352C348-S422 WeakPolarHBondContact O-CB 3.17Å; G349-S422 WeakPolarHBondContact CA-OG 3.46Å; G349-S422 PolarHBondContact N-OG 2.69Å; G349-S422 VanDerWaalsContact N-OG 3.1Å; H352-S422 PolarHBondContact CE1-OG 3.44Å; H352-S422 PolarHBondContact NE2-OG 2.89Å
423G88.4Confident91.5Very high4 Ų422.1 Ų22.14%0.04111%0.105CC..  trans-106.9-162.5169.100000112G349 H426G349-G423 WeakPolarHBondContact CA-O 3.44Å; G423-H426 PolarHBondContact N-O 3.39Å
424G90.3Very high91.6Very high2 Ų218.8 Ų18.82%0.0219%0.09CC..SBendtrans-56.2-59.9-176.800000111.9G50 R350G50-G424 PolarHBondContact O-N 3.45Å; R350-G424 PolarHBondContact N-O 3.47Å
425D95.5Very high91.4Very high8 Ų819.9 Ų19.94%0.0439%0.091CC..SBendtrans-134.327.8179.8-56.2-17.9000112.9S14 R350 N371 Q373S14-D425 PolarHBondContact N-O 2.59Å; R350-D425 IonicContact CZ-OD1 2.69Å; R350-D425 IonicContact CZ-OD2 3.05Å; R350-D425 IonicContact NE-OD1 2.8Å; R350-D425 PolarHBondContact NE-OD1 2.92Å; R350-D425 IonicContact NE-OD2 3.54Å; R350-D425 IonicContact NH2-OD1 3.81Å; R350-D425 PolarHBondContact NH2-OD1 3.02Å; R350-D425 IonicContact NH2-OD2 2.98Å; R350-D425 PolarHBondContact NH2-OD2 3.33Å; N371-D425 HydrophobicContact CB-CB 3.97Å; N371-D425 PolarHBondContact ND2-OD2 3.26Å; Q373-D425 WeakPolarHBondContact CB-O 3.32Å
426H95.1Very high90.6Very high0 Ų023.5 Ų23.50%012%0.124CC..EExtended strand (participates in β ladder)trans-145.9157.7179.766.5-73.9000110.5W12 L20 T54 G423 Y428W12-H426 WeakPolarHBondContact O-CA 3.45Å; L20-H426 HydrophobicContact CD2-CB 3.85Å; T54-H426 PolarHBondContact OG1-NE2 2.88Å; G423-H426 PolarHBondContact N-O 3.39Å; H426-Y428 AromaticContact CD2-CE2 3.64Å
427T96.3Very high89.7Confident0 Ų027.2 Ų27.20%016%0.164CC..EExtended strand (participates in β ladder)trans-138.1142-172.4-57.30000109.9A11 W12 H352 L354 Q373 F421A11-T427 VanDerWaalsContact CA-O 3.27Å; A11-T427 WeakPolarHBondContact CA-O 3.22Å; W12-T427 HydrophobicContact CD2-CG2 4.36Å; W12-T427 VanDerWaalsContact CE2-CB 3.48Å; W12-T427 HydrophobicContact CE3-CG2 4.42Å; W12-T427 HydrophobicContact CH2-CG2 3.22Å; W12-T427 HydrophobicContact CZ2-CG2 3.15Å; W12-T427 HydrophobicContact CZ3-CG2 3.89Å; W12-T427 PolarHBondContact N-O 3.24Å; W12-T427 PolarHBondContact O-N 3.09Å; H352-T427 PolarHBondContact NE2-OG1 3.41Å; L354-T427 HydrophobicContact CD1-CG2 3.26Å; L354-T427 HydrophobicContact CG-CG2 4.5Å; Q373-T427 PolarHBondContact O-OG1 3Å; Q373-T427 VanDerWaalsContact O-OG1 3.13Å; F421-T427 VanDerWaalsContact O-CG2 3.26Å; F421-T427 WeakPolarHBondContact O-CG2 3.14Å
428Y95.1Very high88.6Confident0 Ų030.6 Ų30.60%018%0.179CC..EExtended strand (participates in β ladder)trans-121149.3171.9-77.1-88.3000110.5L9 F10 A11 Q19 L20 L36 I47 T54 F56 F421 H426L9-Y428 HydrophobicContact CD1-CD1 3.78Å; L9-Y428 HydrophobicContact CD2-CD1 4.04Å; L9-Y428 HydrophobicContact CD2-CE1 3.94Å; L9-Y428 HydrophobicContact CG-CD1 3.99Å; L9-Y428 HydrophobicContact CG-CE1 4.33Å; F10-Y428 CarbonylContact O-C 3.57Å; F10-Y428 WeakPolarHBondContact O-CA 3.29Å; A11-Y428 HydrophobicContact CB-CD1 3.47Å; A11-Y428 VanDerWaalsContact CB-CD1 3.47Å; A11-Y428 HydrophobicContact CB-CE1 3.45Å; A11-Y428 VanDerWaalsContact CB-CE1 3.45Å; A11-Y428 HydrophobicContact CB-CG 4.15Å; Q19-Y428 PolarHBondContact O-OH 2.94Å; L20-Y428 WeakPolarHBondContact CA-OH 3.24Å; L20-Y428 HydrophobicContact CD2-CE2 3.79Å; L36-Y428 HydrophobicContact CD1-CD1 4.37Å; L36-Y428 HydrophobicContact CD1-CE1 3.68Å; I47-Y428 HydrophobicContact CD1-CD1 4.24Å; I47-Y428 HydrophobicContact CD1-CG 4.28Å; I47-Y428 HydrophobicContact CG2-CD2 4.03Å; I47-Y428 HydrophobicContact CG2-CE2 4.49Å; I47-Y428 HydrophobicContact CG2-CG 4.18Å; T54-Y428 HydrophobicContact CG2-CD2 4.28Å; T54-Y428 HydrophobicContact CG2-CE2 3.64Å; F56-Y428 HydrophobicContact CE1-CE1 4.12Å; F56-Y428 HydrophobicContact CZ-CE1 4.22Å; F56-Y428 HydrophobicContact CZ-CE2 4.5Å; F56-Y428 AromaticContact CZ-CZ 3.85Å; F56-Y428 WeakPolarHBondContact CZ-OH 3.48Å; F421-Y428 PolarHBondContact N-O 2.96Å; F421-Y428 PolarHBondContact O-N 3.5Å; H426-Y428 AromaticContact CD2-CE2 3.64Å
429L93.7Very high87.6Confident0 Ų034.2 Ų34.20%021%0.207CC..EExtended strand (participates in β ladder)trans-139.3147.3164.468.183.4000110.3F10 W12 L363 W392 R419 I420 A431F10-L429 HydrophobicContact CB-CD1 3.68Å; F10-L429 HydrophobicContact CB-CD2 4.43Å; F10-L429 HydrophobicContact CB-CG 3.77Å; F10-L429 HydrophobicContact CD2-CD1 3.68Å; F10-L429 HydrophobicContact CG-CD1 3.93Å; F10-L429 PolarHBondContact N-O 3.01Å; F10-L429 PolarHBondContact O-N 3.4Å; W12-L429 HydrophobicContact CH2-CD2 3.64Å; W12-L429 HydrophobicContact CH2-CG 4.3Å; W12-L429 HydrophobicContact CZ3-CB 4.32Å; W12-L429 HydrophobicContact CZ3-CD2 3.47Å; W12-L429 VanDerWaalsContact CZ3-CD2 3.47Å; W12-L429 HydrophobicContact CZ3-CG 3.82Å; L363-L429 HydrophobicContact CD2-CD2 3.87Å; W392-L429 HydrophobicContact CH2-CD1 3.84Å; W392-L429 HydrophobicContact CH2-CD2 3.73Å; W392-L429 HydrophobicContact CH2-CG 4.41Å; W392-L429 HydrophobicContact CZ2-CD2 3.71Å; W392-L429 HydrophobicContact CZ3-CD1 4Å; W392-L429 HydrophobicContact CZ3-CD2 4.41Å; R419-L429 CarbonylContact O-C 3.47Å; R419-L429 VanDerWaalsContact O-CA 3.26Å; R419-L429 WeakPolarHBondContact O-CA 3.25Å; I420-L429 HydrophobicContact CG2-CB 4.34Å; L429-A431 HydrophobicContact CD1-CB 3.71Å
430L91.7Very high86.6Confident9 Ų931.3 Ų31.35%0.04720%0.197CC..EExtended strand (participates in β ladder)trans-99.8129.4167.3-71169.7000108.2L9 R418 R419 F421L9-L430 HydrophobicContact CB-CD2 4.34Å; L9-L430 HydrophobicContact CD1-CD2 3.65Å; L9-L430 HydrophobicContact CD1-CG 4.26Å; R418-L430 PolarHBondContact N-O 2.81Å; R419-L430 HydrophobicContact CB-CB 4.47Å; R419-L430 PolarHBondContact N-O 3.16Å; R419-L430 PolarHBondContact O-N 3.14Å; F421-L430 HydrophobicContact CE2-CD1 3.87Å; F421-L430 HydrophobicContact CE2-CG 4.03Å; F421-L430 HydrophobicContact CZ-CD1 4.16Å
431A90.9Very high85.8Confident0 Ų035.6 Ų35.60%022%0.22CC..EExtended strand (participates in β ladder)trans-135.7146.4177.700000111.4E8 F10 W392 Y415 I416 L429E8-A431 PolarHBondContact N-O 2.94Å; E8-A431 PolarHBondContact O-N 3.02Å; F10-A431 HydrophobicContact CD2-CB 4.22Å; F10-A431 HydrophobicContact CE2-CB 4.1Å; W392-A431 HydrophobicContact CZ3-CB 4.2Å; Y415-A431 HydrophobicContact CD1-CB 4.32Å; Y415-A431 HydrophobicContact CG-CB 4.48Å; I416-A431 CarbonylContact O-C 3.56Å; I416-A431 VanDerWaalsContact O-CA 3.22Å; I416-A431 WeakPolarHBondContact O-CA 3.38Å; I416-A431 WeakPolarHBondContact O-CB 3.35Å; L429-A431 HydrophobicContact CD1-CB 3.71Å
432Q87.8Confident85.4Confident25 Ų2536 Ų3612%0.11722%0.224CC..EExtended strand (participates in β ladder)trans-107.1134.6175.9-174.7175.5-24.800108.9A5 Y415 I416 R418 Y434 V440A5-Q432 HydrophobicContact CB-CG 3.89Å; Y415-Q432 CarbonylContact C-O 3.51Å; Y415-Q432 WeakPolarHBondContact CA-O 3.46Å; I416-Q432 PolarHBondContact N-O 3.2Å; I416-Q432 PolarHBondContact O-N 3.27Å; R418-Q432 HydrophobicContact CG-CB 4.41Å; Q432-Y434 PolarHBondContact O-N 3.03Å; Q432-V440 HydrophobicContact CB-CG1 4.21Å; Q432-V440 HydrophobicContact CG-CG2 4.34Å; Q432-V440 VanDerWaalsContact NE2-CG2 3.28Å; Q432-V440 VanDerWaalsContact OE1-CG1 3.25Å
433M86.6Confident85.2Confident62 Ų6237.2 Ų37.231%0.30523%0.229SC..EExtended strand (participates in β ladder)trans-60.9127.7175.2-170.1-18069.600109.3K413 Y415 Q435K413-M433 HydrophobicContact CB-CG 4.43Å; K413-M433 HydrophobicContact CB-SD 4.35Å; K413-M433 HydrophobicContact CD-SD 3.86Å; K413-M433 HydrophobicContact CG-SD 4.19Å; Y415-M433 HydrophobicContact CD1-CB 4.16Å; Y415-M433 HydrophobicContact CE1-CB 3.96Å; Y415-M433 HydrophobicContact CE1-CG 4.37Å; M433-Q435 PolarHBondContact O-N 3.5Å
434Y82.5Confident85.4Confident44 Ų4438.9 Ų38.917%0.17324%0.237CC..  trans-66.2125.7180174.8-82.6000110.1V393 K397 P414 I416 Q432V393-Y434 HydrophobicContact CG2-CD2 3.86Å; V393-Y434 HydrophobicContact CG2-CG 4.01Å; K397-Y434 WeakPolarHBondContact CD-OH 3.48Å; K397-Y434 WeakPolarHBondContact CE-OH 3.48Å; P414-Y434 HydrophobicContact CG-CD1 4.47Å; P414-Y434 PolarHBondContact O-N 3.34Å; I416-Y434 HydrophobicContact CD1-CD2 3.76Å; I416-Y434 HydrophobicContact CG1-CD2 4.06Å; Q432-Y434 PolarHBondContact O-N 3.03Å
435Q81.2Confident85.6Confident73 Ų7340.3 Ų40.334%0.34124%0.244SC..  trans-116.4136170.3-58.6-167.29.600109.8M433 G437 E438M433-Q435 PolarHBondContact O-N 3.5Å; Q435-G437 PolarHBondContact O-N 2.96Å; Q435-E438 HydrophobicContact CB-CB 4.36Å; Q435-E438 HydrophobicContact CB-CG 4.06Å; Q435-E438 PolarHBondContact O-N 3.48Å
436A74Confident85.5Confident95 Ų9542 Ų4279%0.78525%0.25SS*.THydrogen-bonded Turntrans-64.4122.7-179.600000110.6
437G72.4Confident85.3Confident82 Ų8247.4 Ų47.485%0.84528%0.279SS*.THydrogen-bonded Turntrans96.1-10.5-178.800000114.9Q435Q435-G437 PolarHBondContact O-N 2.96Å
438E69.6Low85Confident76 Ų7650.6 Ų50.636%0.35529%0.291SS..  trans-88.5126.9172.6-69.2-167154.900111.1Q435Q435-E438 HydrophobicContact CB-CB 4.36Å; Q435-E438 HydrophobicContact CB-CG 4.06Å; Q435-E438 PolarHBondContact O-N 3.48Å
439T69.5Low84.7Confident125 Ų12555.4 Ų55.477%0.76732%0.317SS*.  trans-89.1107.3168.850.80000109
440V72.9Confident84.4Confident7 Ų759.1 Ų59.14%0.04233%0.331CS..  trans-106.4110.2173.3-175.60000108.2S395 I416 R418 Q432 P442S395-V440 WeakPolarHBondContact CB-O 3.3Å; I416-V440 HydrophobicContact CD1-CB 3.74Å; I416-V440 HydrophobicContact CD1-CG2 4.1Å; I416-V440 HydrophobicContact CG2-CB 4.45Å; I416-V440 HydrophobicContact CG2-CG1 4.35Å; R418-V440 HydrophobicContact CG-CG1 3.99Å; R418-V440 VanDerWaalsContact NH1-CG1 3.29Å; Q432-V440 HydrophobicContact CB-CG1 4.21Å; Q432-V440 HydrophobicContact CG-CG2 4.34Å; Q432-V440 VanDerWaalsContact NE2-CG2 3.28Å; Q432-V440 VanDerWaalsContact OE1-CG1 3.25Å; V440-P442 WeakPolarHBondContact O-CD 3.36Å
441D79.2Confident84.2Confident102 Ų10262.1 Ų62.155%0.54535%0.352SS..PPolyproline II helixtrans-87.8121.8177.2-67.4-36000110.4R418R418-D441 PolarHBondContact NH1-O 3.41Å
442P86Confident84.1Confident23 Ų2364.1 Ų64.115%0.14937%0.366CS..PPolyproline II helixtrans-61.3150.4168.7-2538.4000111.4L356 P358 I416 I417 V440 D444L356-P442 HydrophobicContact CD2-CB 4.27Å; P358-P442 HydrophobicContact CB-CB 4.48Å; P358-P442 HydrophobicContact CB-CG 4.06Å; P358-P442 HydrophobicContact CG-CB 4.27Å; P358-P442 HydrophobicContact CG-CG 4.38Å; I416-P442 HydrophobicContact CG2-CG 4.04Å; I417-P442 WeakPolarHBondContact O-CB 3.32Å; I417-P442 WeakPolarHBondContact O-CG 3.47Å; V440-P442 WeakPolarHBondContact O-CD 3.36Å; P442-D444 PolarHBondContact O-N 2.94Å
443D89.7Confident84.3Confident44 Ų4465.6 Ų65.624%0.23538%0.375CS..PPolyproline II helixtrans-59.6135174.9-74.49.6000109.7Q345 R418 R419Q345-D443 VanDerWaalsContact CG-O 3.29Å; Q345-D443 WeakPolarHBondContact CG-O 3.39Å; Q345-D443 PolarHBondContact NE2-O 3.38Å; R418-D443 IonicContact NH2-OD1 3.86Å; R418-D443 PolarHBondContact NH2-OD1 2.87Å; R418-D443 PolarHBondContact O-N 3.46Å; R418-D443 VanDerWaalsContact O-N 3.1Å; R419-D443 WeakPolarHBondContact CD-OD2 3.42Å; R419-D443 IonicContact CZ-OD2 2.87Å; R419-D443 IonicContact NE-OD2 3.07Å; R419-D443 IonicContact NH1-OD2 3.33Å; R419-D443 PolarHBondContact NH1-OD2 3.21Å
444D94.1Very high84.7Confident40 Ų4065.8 Ų65.821%0.21438%0.375CS..  trans-113.5104.5176.2-168.9-15.6000110.4T344 P442 R446 N447T344-D444 HydrophobicContact CG2-CB 4.46Å; P442-D444 PolarHBondContact O-N 2.94Å; D444-R446 PolarHBondContact O-N 3.36Å; D444-R446 WeakPolarHBondContact OD1-CB 3.33Å; D444-R446 VanDerWaalsContact OD1-CG 3.24Å; D444-R446 WeakPolarHBondContact OD1-CG 3.45Å; D444-R446 IonicContact OD1-CZ 2.86Å; D444-R446 PolarHBondContact OD1-N 3.23Å; D444-R446 IonicContact OD1-NE 3.65Å; D444-R446 PolarHBondContact OD1-NE 3.2Å; D444-R446 IonicContact OD1-NH2 3.44Å; D444-R446 IonicContact OD2-CZ 2.77Å; D444-R446 IonicContact OD2-NE 2.93Å; D444-R446 PolarHBondContact OD2-NE 3.47Å; D444-R446 IonicContact OD2-NH2 4Å; D444-R446 PolarHBondContact OD2-NH2 3.27Å; D444-N447 PolarHBondContact O-N 3.28Å
445L94.4Very high85.3Confident31 Ų3164.1 Ų64.116%0.16237%0.37CS..THydrogen-bonded Turntrans-72.8-7.5-175.5-58.9178.5000113Y292 T344 Q345 N447Y292-L445 HydrophobicContact CD1-CD1 4.33Å; Y292-L445 HydrophobicContact CD2-CB 3.58Å; Y292-L445 HydrophobicContact CD2-CD1 4.26Å; Y292-L445 HydrophobicContact CD2-CG 4.34Å; Y292-L445 HydrophobicContact CE1-CD1 3.87Å; Y292-L445 HydrophobicContact CE2-CB 3.74Å; Y292-L445 HydrophobicContact CE2-CD1 3.69Å; Y292-L445 HydrophobicContact CE2-CD2 3.97Å; Y292-L445 HydrophobicContact CE2-CG 3.99Å; Y292-L445 HydrophobicContact CG-CB 4.02Å; T344-L445 WeakPolarHBondContact O-CB 3.49Å; T344-L445 PolarHBondContact O-N 3.02Å; Q345-L445 HydrophobicContact CB-CD1 3.86Å; Q345-L445 HydrophobicContact CB-CG 4.34Å; Q345-L445 HydrophobicContact CG-CD1 4.08Å; Q345-L445 HydrophobicContact CG-CG 4.05Å; L445-N447 VanDerWaalsContact C-N 3.32Å
446R93.5Very high86.1Confident45 Ų4560.7 Ų60.717%0.1735%0.354CS..THydrogen-bonded Turntrans-73.9-27.3174.4-55.8176.7-61.6156.5-5.5111.7R199 V291 L303 R305 V343 D444R199-R446 PolarHBondContact NH2-O 3.18Å; V291-R446 HydrophobicContact CG2-CB 3.78Å; V291-R446 HydrophobicContact CG2-CG 3.83Å; L303-R446 HydrophobicContact CD2-CG 3.8Å; L303-R446 HydrophobicContact CG-CG 4.09Å; R305-R446 WeakPolarHBondContact O-CD 3.48Å; R305-R446 PolarHBondContact O-NH1 2.99Å; V343-R446 WeakPolarHBondContact O-CD 3.44Å; D444-R446 PolarHBondContact O-N 3.36Å; D444-R446 WeakPolarHBondContact OD1-CB 3.33Å; D444-R446 VanDerWaalsContact OD1-CG 3.24Å; D444-R446 WeakPolarHBondContact OD1-CG 3.45Å; D444-R446 IonicContact OD1-CZ 2.86Å; D444-R446 PolarHBondContact OD1-N 3.23Å; D444-R446 IonicContact OD1-NE 3.65Å; D444-R446 PolarHBondContact OD1-NE 3.2Å; D444-R446 IonicContact OD1-NH2 3.44Å; D444-R446 IonicContact OD2-CZ 2.77Å; D444-R446 IonicContact OD2-NE 2.93Å; D444-R446 PolarHBondContact OD2-NE 3.47Å; D444-R446 IonicContact OD2-NH2 4Å; D444-R446 PolarHBondContact OD2-NH2 3.27Å
447N91.2Very high87.2Confident113 Ų11357.3 Ų57.360%0.60432%0.322SS*.SBendtrans-77.7130.6-179.9-65.5-29.2000110.9D444 L445D444-N447 PolarHBondContact O-N 3.28Å; L445-N447 VanDerWaalsContact C-N 3.32Å
448W89.4Confident88.3Confident67 Ų6753.7 Ų53.725%0.25428%0.284SS..  trans-99110.1175.6-176.544.1000110.2R199 V213 R450 I456 T458 A522R199-W448 HydrophobicContact CG-CG 4.44Å; V213-W448 HydrophobicContact CB-CH2 4.37Å; V213-W448 HydrophobicContact CB-CZ3 4.3Å; V213-W448 HydrophobicContact CG1-CE3 3.73Å; V213-W448 HydrophobicContact CG1-CH2 3.89Å; V213-W448 HydrophobicContact CG1-CZ3 3.37Å; V213-W448 HydrophobicContact CG2-CE3 4.36Å; V213-W448 HydrophobicContact CG2-CH2 3.46Å; V213-W448 VanDerWaalsContact CG2-CH2 3.46Å; V213-W448 HydrophobicContact CG2-CZ2 3.66Å; V213-W448 HydrophobicContact CG2-CZ3 3.85Å; W448-R450 PolarHBondContact O-N 3.3Å; W448-I456 HydrophobicContact CZ2-CG1 4.4Å; W448-T458 HydrophobicContact CH2-CG2 4.02Å; W448-A522 HydrophobicContact CH2-CB 4.43Å
449N88.9Confident89.6Confident101 Ų10150.1 Ų50.154%0.5427%0.267SS..  trans-85.997.3173.6-175.2-4.9000110.2S451 S452 S455N449-S451 PolarHBondContact O-N 2.84Å; N449-S451 PolarHBondContact OD1-N 2.96Å; N449-S452 WeakPolarHBondContact O-CB 3.22Å; N449-S452 PolarHBondContact O-N 2.75Å; N449-S452 VanDerWaalsContact O-N 3.15Å; N449-S452 PolarHBondContact OD1-N 3.2Å; N449-S455 PolarHBondContact O-OG 2.94Å
450R87.4Confident90.7Very high77 Ų7744.6 Ų44.629%0.29123%0.234SC..THydrogen-bonded Turntrans-61.6-22.7176.657.8177.9154-137-7.1114.8W448 S452 S455 E527W448-R450 PolarHBondContact O-N 3.3Å; R450-S452 VanDerWaalsContact C-N 3.31Å; R450-S455 PolarHBondContact O-OG 3.19Å; R450-E527 IonicContact CZ-OE1 3.91Å; R450-E527 IonicContact NH1-OE1 2.87Å; R450-E527 PolarHBondContact NH1-OE1 3.12Å; R450-E527 IonicContact NH1-OE2 4Å; R450-E527 IonicContact NH2-OE1 3.97Å; R450-E527 IonicContact NH2-OE2 2.82Å
451S86.5Confident91.6Very high72 Ų7247 Ų4750%0.50325%0.249SC..THydrogen-bonded Turntrans-89-1.7179.3-570000112.6N449N449-S451 PolarHBondContact O-N 2.84Å; N449-S451 PolarHBondContact OD1-N 2.96Å
452S90.2Very high92.2Very high42 Ų4245.6 Ų45.629%0.29424%0.239SC..SBendtrans-64.7144.2178.3-176.40000111.2N449 R450 Q454 S455N449-S452 WeakPolarHBondContact O-CB 3.22Å; N449-S452 PolarHBondContact O-N 2.75Å; N449-S452 VanDerWaalsContact O-N 3.15Å; N449-S452 PolarHBondContact OD1-N 3.2Å; R450-S452 VanDerWaalsContact C-N 3.31Å; S452-Q454 PolarHBondContact O-N 2.88Å; S452-Q454 PolarHBondContact OG-N 3.43Å; S452-Q454 VanDerWaalsContact OG-N 3.12Å; S452-S455 PolarHBondContact O-N 3.5Å; S452-S455 PolarHBondContact O-OG 3.22Å
453L91.8Very high92.4Very high57 Ų5745 Ų4530%0.29824%0.235SC..THydrogen-bonded Turntrans-67.6-10169.1-63.1175.2000112.7I95 Y109 V145I95-L453 HydrophobicContact CD1-CB 3.65Å; I95-L453 HydrophobicContact CD1-CD1 4.25Å; I95-L453 HydrophobicContact CG2-CD1 4.14Å; Y109-L453 HydrophobicContact CD2-CD1 3.55Å; Y109-L453 HydrophobicContact CE2-CD1 3.54Å; V145-L453 WeakPolarHBondContact CB-O 3.3Å; V145-L453 WeakPolarHBondContact CG1-O 3.39Å
454Q93.6Very high92.6Very high66 Ų6643 Ų4331%0.30822%0.224SC..THydrogen-bonded Turntrans-982.5176.9-58.6179.618.900113.5I95 V145 S452I95-Q454 PolarHBondContact O-NE2 3.48Å; I95-Q454 VanDerWaalsContact O-NE2 3.17Å; V145-Q454 VanDerWaalsContact O-CA 3.27Å; V145-Q454 WeakPolarHBondContact O-CA 3.05Å; S452-Q454 PolarHBondContact O-N 2.88Å; S452-Q454 PolarHBondContact OG-N 3.43Å; S452-Q454 VanDerWaalsContact OG-N 3.12Å
455S96Very high92.4Very high8 Ų846.3 Ų46.36%0.05624%0.238CC..SBendtrans-103.1156.6174.155.10000111.9N449 R450 S452N449-S455 PolarHBondContact O-OG 2.94Å; R450-S455 PolarHBondContact O-OG 3.19Å; S452-S455 PolarHBondContact O-N 3.5Å; S452-S455 PolarHBondContact O-OG 3.22Å
456I97.4Very high92.2Very high2 Ų249.2 Ų49.21%0.0125%0.251CS..PPolyproline II helixtrans-60.9156.3165.765.1169000110.3L157 D159 A161 V198 W448 A522L157-I456 HydrophobicContact CD1-CG2 4.22Å; L157-I456 HydrophobicContact CD2-CG2 4.06Å; L157-I456 HydrophobicContact CG-CG2 4.26Å; D159-I456 CarbonylContact O-C 3.52Å; D159-I456 WeakPolarHBondContact O-CA 3.45Å; A161-I456 HydrophobicContact CB-CB 4.37Å; A161-I456 HydrophobicContact CB-CD1 4.1Å; A161-I456 HydrophobicContact CB-CG2 3.86Å; V198-I456 WeakPolarHBondContact O-CD1 3.5Å; V198-I456 WeakPolarHBondContact O-CG2 3.24Å; W448-I456 HydrophobicContact CZ2-CG1 4.4Å; I456-A522 HydrophobicContact CD1-CB 3.81Å
457L96.9Very high92.1Very high23 Ų2347.1 Ų47.112%0.1224%0.243CC..PPolyproline II helixtrans-76.1145.3177.4-60.7170.2000111.2D159 K509 V513 C519D159-L457 HydrophobicContact CB-CD1 4.14Å; D159-L457 HydrophobicContact CB-CG 4.03Å; D159-L457 PolarHBondContact O-N 3.46Å; D159-L457 WeakPolarHBondContact OD2-CD1 3.23Å; L457-K509 HydrophobicContact CD1-CB 4.17Å; L457-K509 HydrophobicContact CD1-CG 4.36Å; L457-K509 HydrophobicContact CD2-CB 4.2Å; L457-K509 HydrophobicContact CD2-CD 4.16Å; L457-K509 HydrophobicContact CD2-CG 4Å; L457-V513 HydrophobicContact CB-CG2 3.38Å; L457-V513 HydrophobicContact CD1-CG2 4.49Å; L457-C519 WeakPolarHBondContact O-CB 3.49Å; L457-C519 PolarHBondContact O-SG 3.34Å
458T96.1Very high91.9Very high7 Ų746.4 Ų46.44%0.04323%0.232CC..  trans-142.5158.3175.762.40000110.9W448 A522W448-T458 HydrophobicContact CH2-CG2 4.02Å; T458-A522 HydrophobicContact CG2-CB 3.6Å; T458-A522 WeakPolarHBondContact CG2-O 3.49Å
459I96.2Very high91.8Very high1 Ų147.3 Ų47.31%0.00524%0.242CC..  trans-85.7120.8165.6-56.6-49.8000109.2I463 V464 V510 V513 F514 S523 C524 L551 I555 F594I459-I463 HydrophobicContact CD1-CG2 4.21Å; I459-I463 HydrophobicContact CG2-CG2 4.49Å; I459-V464 HydrophobicContact CG2-CG2 4.5Å; I459-V510 HydrophobicContact CD1-CG1 4.47Å; I459-V513 HydrophobicContact CD1-CB 3.99Å; I459-V513 HydrophobicContact CD1-CG1 3.77Å; I459-V513 HydrophobicContact CD1-CG2 4.13Å; I459-V513 HydrophobicContact CG1-CB 4.48Å; I459-V513 HydrophobicContact CG1-CG1 3.7Å; I459-F514 HydrophobicContact CD1-CE2 4.25Å; I459-F514 HydrophobicContact CG1-CE2 4.36Å; I459-S523 PolarHBondContact N-OG 2.85Å; I459-C524 PolarHBondContact O-N 3.48Å; I459-L551 HydrophobicContact CG2-CB 3.84Å; I459-L551 HydrophobicContact CG2-CD1 3.92Å; I459-I555 HydrophobicContact CD1-CD1 3.81Å; I459-I555 HydrophobicContact CG1-CD1 4.22Å; I459-I555 HydrophobicContact CG2-CD1 3.78Å; I459-F594 HydrophobicContact CB-CE2 4.43Å; I459-F594 HydrophobicContact CB-CZ 4.22Å; I459-F594 HydrophobicContact CG1-CZ 4.07Å
460C92.2Very high91.6Very high9 Ų943.4 Ų43.46%0.06122%0.223CC..  trans-143.6165.8176.564.70000110.1E462 I463 V464C460-E462 WeakPolarHBondContact CB-OE2 3.26Å; C460-E462 PolarHBondContact O-N 3.4Å; C460-E462 PolarHBondContact SG-OE2 2.78Å; C460-I463 WeakPolarHBondContact O-CG2 3.49Å; C460-I463 PolarHBondContact O-N 2.92Å; C460-V464 PolarHBondContact O-N 3.48Å
461P93.4Very high91Very high56 Ų5644 Ų4436%0.36423%0.23SC..Hα-helixtrans-53.4-38.2-179.8-2836.8000113.8I463 V464 E465 L547 L551P461-I463 PolarHBondContact O-N 3.38Å; P461-V464 PolarHBondContact O-N 3.36Å; P461-E465 PolarHBondContact O-N 2.65Å; P461-L547 HydrophobicContact CG-CD1 4.42Å; P461-L551 HydrophobicContact CG-CD1 4.37Å
462E91Very high90.5Very high73 Ų7345.3 Ų45.334%0.34124%0.235SC..Hα-helixtrans-66.3-37.6-176.8-57.879.7-17700112.4C460 V464 E465 Q466C460-E462 WeakPolarHBondContact CB-OE2 3.26Å; C460-E462 PolarHBondContact O-N 3.4Å; C460-E462 PolarHBondContact SG-OE2 2.78Å; E462-V464 VanDerWaalsContact C-N 3.3Å; E462-V464 PolarHBondContact O-N 3.25Å; E462-E465 PolarHBondContact O-N 2.75Å; E462-Q466 WeakPolarHBondContact O-CB 3.24Å; E462-Q466 VanDerWaalsContact O-CG 3.28Å; E462-Q466 WeakPolarHBondContact O-CG 3.25Å; E462-Q466 PolarHBondContact O-N 2.57Å
463I91Very high89.4Confident12 Ų1246.3 Ų46.36%0.06225%0.245CC..Hα-helixtrans-68.4-34.3178.5-151.2176.5000111.2I459 C460 P461 L467 I506 K509 V510I459-I463 HydrophobicContact CD1-CG2 4.21Å; I459-I463 HydrophobicContact CG2-CG2 4.49Å; C460-I463 WeakPolarHBondContact O-CG2 3.49Å; C460-I463 PolarHBondContact O-N 2.92Å; P461-I463 PolarHBondContact O-N 3.38Å; I463-L467 WeakPolarHBondContact O-CB 3.42Å; I463-L467 PolarHBondContact O-N 2.93Å; I463-I506 HydrophobicContact CD1-CD1 4.34Å; I463-I506 HydrophobicContact CG1-CD1 3.58Å; I463-K509 HydrophobicContact CD1-CB 4.31Å; I463-V510 HydrophobicContact CD1-CG2 4.25Å; I463-V510 HydrophobicContact CG1-CG2 4.47Å
464V92.3Very high87.6Confident1 Ų151.2 Ų51.21%0.00627%0.271CS..Hα-helixtrans-73.4-37.7178.3-177.90000110.8I459 C460 P461 E462 L467 R468 L551 Q554 I555 I558I459-V464 HydrophobicContact CG2-CG2 4.5Å; C460-V464 PolarHBondContact O-N 3.48Å; P461-V464 PolarHBondContact O-N 3.36Å; E462-V464 VanDerWaalsContact C-N 3.3Å; E462-V464 PolarHBondContact O-N 3.25Å; V464-L467 PolarHBondContact O-N 3.41Å; V464-R468 WeakPolarHBondContact O-CB 3.23Å; V464-R468 PolarHBondContact O-N 3.17Å; V464-L551 HydrophobicContact CB-CD2 4.33Å; V464-L551 HydrophobicContact CG2-CB 4.12Å; V464-L551 HydrophobicContact CG2-CD2 3.92Å; V464-L551 HydrophobicContact CG2-CG 4.43Å; V464-Q554 HydrophobicContact CG1-CB 3.75Å; V464-I555 HydrophobicContact CG2-CD1 3.93Å; V464-I555 HydrophobicContact CG2-CG1 3.78Å; V464-I558 HydrophobicContact CG1-CD1 4.14Å
465E91.2Very high85.7Confident110 Ų11052.7 Ų52.751%0.51430%0.295SS..Hα-helixtrans-64-44.5172.3-172.2175-173.300111.7P461 E462 L467 R468 N469P461-E465 PolarHBondContact O-N 2.65Å; E462-E465 PolarHBondContact O-N 2.75Å; E465-L467 VanDerWaalsContact C-N 3.32Å; E465-L467 PolarHBondContact O-N 3.33Å; E465-R468 PolarHBondContact O-N 3.16Å; E465-N469 WeakPolarHBondContact O-CB 3.32Å; E465-N469 PolarHBondContact O-N 2.91Å; E465-N469 PolarHBondContact O-ND2 2.79Å
466Q89.9Confident83.3Confident92 Ų9258.7 Ų58.743%0.4333%0.325SS..Hα-helixtrans-60.2-41.5173.3-73.2173.216.900112E462 N469 A470 I506E462-Q466 WeakPolarHBondContact O-CB 3.24Å; E462-Q466 VanDerWaalsContact O-CG 3.28Å; E462-Q466 WeakPolarHBondContact O-CG 3.25Å; E462-Q466 PolarHBondContact O-N 2.57Å; Q466-N469 PolarHBondContact O-N 2.61Å; Q466-A470 VanDerWaalsContact O-CB 3.27Å; Q466-A470 WeakPolarHBondContact O-CB 3.37Å; Q466-A470 PolarHBondContact O-N 3.2Å; Q466-I506 HydrophobicContact CB-CD1 3.89Å; Q466-I506 HydrophobicContact CB-CG1 3.99Å
467L90.5Very high80.5Confident0 Ų063.6 Ų63.60%036%0.357CS..Hα-helixtrans-62.5-43.6176.4-175.268.5000111.3I463 V464 E465 A470 H471 I506 V507 V510 I555 I558 L559I463-L467 WeakPolarHBondContact O-CB 3.42Å; I463-L467 PolarHBondContact O-N 2.93Å; V464-L467 PolarHBondContact O-N 3.41Å; E465-L467 VanDerWaalsContact C-N 3.32Å; E465-L467 PolarHBondContact O-N 3.33Å; L467-A470 PolarHBondContact O-N 3.45Å; L467-H471 PolarHBondContact O-N 3.13Å; L467-I506 HydrophobicContact CB-CG1 4.26Å; L467-I506 HydrophobicContact CD1-CG1 4.45Å; L467-I506 HydrophobicContact CD1-CG2 3.94Å; L467-V507 HydrophobicContact CD1-CG2 3.81Å; L467-V510 HydrophobicContact CD1-CG2 4.46Å; L467-V510 HydrophobicContact CD2-CG2 4.33Å; L467-I555 HydrophobicContact CD2-CB 4.44Å; L467-I555 HydrophobicContact CD2-CG1 4.22Å; L467-I555 HydrophobicContact CD2-CG2 4.3Å; L467-I558 HydrophobicContact CD2-CB 4.15Å; L467-I558 HydrophobicContact CD2-CD1 4.47Å; L467-I558 HydrophobicContact CD2-CG2 4.07Å; L467-I558 HydrophobicContact CG-CB 4.41Å; L467-I558 HydrophobicContact CG-CG2 3.78Å; L467-L559 HydrophobicContact CD1-CD2 4.01Å; L467-L559 HydrophobicContact CD2-CD2 4.28Å; L467-L559 HydrophobicContact CD2-CG 4.33Å
468R88.9Confident77.8Confident99 Ų9967.5 Ų67.537%0.37438%0.384SS..Hα-helixtrans-62.3-49.2176.1-173.1-180-64.9127.17.6111.2V464 E465 A470 H471 T472 I558V464-R468 WeakPolarHBondContact O-CB 3.23Å; V464-R468 PolarHBondContact O-N 3.17Å; E465-R468 PolarHBondContact O-N 3.16Å; R468-A470 VanDerWaalsContact C-N 3.29Å; R468-A470 PolarHBondContact O-N 3.46Å; R468-H471 PolarHBondContact O-N 3.02Å; R468-T472 HydrophobicContact CG-CG2 4.41Å; R468-T472 PolarHBondContact O-N 2.91Å; R468-T472 PolarHBondContact O-OG1 3.4Å; R468-T472 VanDerWaalsContact O-OG1 3.13Å; R468-I558 HydrophobicContact CB-CD1 3.96Å; R468-I558 HydrophobicContact CG-CD1 4.5Å
469N87.2Confident75.1Confident85 Ų8572.1 Ų72.146%0.45541%0.414SS..Hα-helixtrans-61.6-38.9179.7-69.1-14.4000111.7E465 Q466 H471 T472 A473E465-N469 WeakPolarHBondContact O-CB 3.32Å; E465-N469 PolarHBondContact O-N 2.91Å; E465-N469 PolarHBondContact O-ND2 2.79Å; Q466-N469 PolarHBondContact O-N 2.61Å; N469-H471 PolarHBondContact O-N 3.19Å; N469-T472 WeakPolarHBondContact CA-OG1 3.48Å; N469-T472 PolarHBondContact O-N 3.44Å; N469-T472 PolarHBondContact O-OG1 2.92Å; N469-A473 WeakPolarHBondContact O-CB 3.46Å; N469-A473 PolarHBondContact O-N 2.89Å
470A82.8Confident72.1Confident19 Ų1979.7 Ų79.716%0.15745%0.453CS..Hα-helixtrans-65.6-27.2175.500000113.7Q466 L467 R468 P503 I506Q466-A470 VanDerWaalsContact O-CB 3.27Å; Q466-A470 WeakPolarHBondContact O-CB 3.37Å; Q466-A470 PolarHBondContact O-N 3.2Å; L467-A470 PolarHBondContact O-N 3.45Å; R468-A470 VanDerWaalsContact C-N 3.29Å; R468-A470 PolarHBondContact O-N 3.46Å; A470-P503 HydrophobicContact CB-CB 3.97Å; A470-P503 HydrophobicContact CB-CG 4.24Å; A470-I506 HydrophobicContact CB-CG2 3.57Å
471H76.4Confident69.4Low91 Ų9184.2 Ų84.242%0.42148%0.484SS..Hα-helixtrans-86.1-33.3176.2-111.864.1000113.3L467 R468 N469 I558 P560L467-H471 PolarHBondContact O-N 3.13Å; R468-H471 PolarHBondContact O-N 3.02Å; N469-H471 PolarHBondContact O-N 3.19Å; H471-I558 HydrophobicContact CB-CG2 3.98Å; H471-I558 PolarHBondContact CD2-O 2.97Å; H471-I558 PolarHBondContact NE2-O 2.89Å; H471-P560 WeakPolarHBondContact CE1-CD 3.34Å; H471-P560 VanDerWaalsContact CE1-CG 3.46Å; H471-P560 WeakPolarHBondContact CE1-CG 3.28Å; H471-P560 WeakPolarHBondContact NE2-CD 3.2Å; H471-P560 VanDerWaalsContact NE2-CG 3.26Å; H471-P560 WeakPolarHBondContact NE2-CG 3.35Å
472T74.5Confident66.4Low99 Ų9991.7 Ų91.761%0.60751%0.505SS*.Hα-helixtrans-85.2-17.3177.156.20000113.1R468 N469 L474R468-T472 HydrophobicContact CG-CG2 4.41Å; R468-T472 PolarHBondContact O-N 2.91Å; R468-T472 PolarHBondContact O-OG1 3.4Å; R468-T472 VanDerWaalsContact O-OG1 3.13Å; N469-T472 WeakPolarHBondContact CA-OG1 3.48Å; N469-T472 PolarHBondContact O-N 3.44Å; N469-T472 PolarHBondContact O-OG1 2.92Å; T472-L474 PolarHBondContact O-N 3.05Å
473A68.4Low63.4Low63 Ų6393.3 Ų93.352%0.52153%0.525SS..SBendtrans-57.3111.4173.700000109.2N469 A475N469-A473 WeakPolarHBondContact O-CB 3.46Å; N469-A473 PolarHBondContact O-N 2.89Å; A473-A475 PolarHBondContact O-N 3.14Å
474L54.7Low60.6Low159 Ų15999.7 Ų99.783%0.83256%0.558SS**  trans-48130.8166.5-89.6136.7000107.9T472 L476T472-L474 PolarHBondContact O-N 3.05Å; L474-L476 VanDerWaalsContact C-N 3.3Å; L474-L476 PolarHBondContact O-N 3.38Å
475A53.5Low57.5Low98 Ų98104 Ų10481%0.8159%0.588SS**  trans-54.6101.5168.300000107.1A473A473-A475 PolarHBondContact O-N 3.14Å
476L45.8Very low54.6Low134 Ų134107.6 Ų107.670%0.70261%0.61SS**PPolyproline II helixtrans-54.8136.4168.2-75.1168.4000105.8L474L474-L476 VanDerWaalsContact C-N 3.3Å; L474-L476 PolarHBondContact O-N 3.38Å
477P38Very low51.7Low104 Ų104107.8 Ų107.868%0.67562%0.621SS**PPolyproline II helixtrans-50.5135179.419.2-29.9000108P479P477-P479 VanDerWaalsContact O-N 3.11Å
478P40.5Very low48.9Very low106 Ų106113 Ų11369%0.68866%0.657SS**PPolyproline II helixtrans-50.8128.6178.521.2-31.4000106.7I480P478-I480 PolarHBondContact O-N 2.97Å
479P38.2Very low46.1Very low103 Ų103113.8 Ų113.867%0.66968%0.679SS**PPolyproline II helixtrans-53.2128175.922.1-30.7000105.8P477 S481P477-P479 VanDerWaalsContact O-N 3.11Å; P479-S481 VanDerWaalsContact C-N 3.27Å; P479-S481 WeakPolarHBondContact O-CA 3.37Å; P479-S481 PolarHBondContact O-N 2.91Å; P479-S481 PolarHBondContact O-OG 2.95Å
480I33.9Very low43.3Very low161 Ų161121.1 Ų121.183%0.82670%0.7SS**  trans-45.4101.7-179.1-64.4166.2000106P478 R482P478-I480 PolarHBondContact O-N 2.97Å; I480-R482 PolarHBondContact O-N 2.91Å
481S34.9Very low40.8Very low103 Ų103125.9 Ų125.972%0.7273%0.729SS**  trans-74.588.3-174.9-710000104.5P479 S483P479-S481 VanDerWaalsContact C-N 3.27Å; P479-S481 WeakPolarHBondContact O-CA 3.37Å; P479-S481 PolarHBondContact O-N 2.91Å; P479-S481 PolarHBondContact O-OG 2.95Å; S481-S483 PolarHBondContact O-N 3.22Å
482R30.3Very low38.5Very low213 Ų213130.1 Ų130.180%0.80475%0.754SS**  trans-59.2103156.5-78.1-174.5179169.40.9104.3I480 I484I480-R482 PolarHBondContact O-N 2.91Å; R482-I484 VanDerWaalsContact C-N 3.27Å; R482-I484 PolarHBondContact O-N 2.83Å
483S29Very low36.2Very low108 Ų108131.1 Ų131.176%0.75576%0.76SS**  trans-51.294.6166.452.20000107.9S481 S485S481-S483 PolarHBondContact O-N 3.22Å; S483-S485 PolarHBondContact O-N 2.9Å
484I31Very low34.5Very low145 Ų145134 Ų13474%0.74478%0.776SS**  trans-93.691.8167.7-62.8173.4000105.1R482 L486R482-I484 VanDerWaalsContact C-N 3.27Å; R482-I484 PolarHBondContact O-N 2.83Å; I484-L486 PolarHBondContact O-N 3.28Å
485S28.6Very low33.2Very low93 Ų93130.9 Ų130.965%0.6577%0.768SS**  trans-45.3129161.1-50.70000109S483 S487S483-S485 PolarHBondContact O-N 2.9Å; S485-S487 VanDerWaalsContact C-N 3.31Å; S485-S487 PolarHBondContact O-N 3.01Å
486L30.6Very low32Very low185 Ų185133.7 Ų133.797%0.96977%0.769SS**SBendtrans-63.589177.2-76.995.7000110.3I484I484-L486 PolarHBondContact O-N 3.28Å
487S27.9Very low31.2Very low95 Ų95133.6 Ų133.666%0.66478%0.779SS**  trans-158.8126.8159.458.90000110.4S485S485-S487 VanDerWaalsContact C-N 3.31Å; S485-S487 PolarHBondContact O-N 3.01Å
488S32Very low31.1Very low109 Ų109132 Ų13276%0.76277%0.77SS**  trans83.196.6167.476.20000119.1
489S30.4Very low31Very low117 Ų117131 Ų13182%0.81876%0.762SS**  27.592.1128.460.60000118.9
490R28.4Very low31.2Very low239 Ų239131.1 Ų131.190%0.90277%0.765SS**  trans-155.9145.8141.6-109.6174.6-175.2-168.31110.1L492R490-L492 PolarHBondContact O-N 3.01Å
491P30.5Very low32Very low119 Ų119128.8 Ų128.877%0.77376%0.755SS**  trans-75.4127.8-167.3-218.7000110.7T493P491-T493 PolarHBondContact O-N 3.34Å; P491-T493 VanDerWaalsContact O-N 3.13Å
492L27.2Very low33Very low180 Ų180129.5 Ų129.594%0.94275%0.747SS**  trans-68.2105.7173-76.6159.4000109.3R490R490-L492 PolarHBondContact O-N 3.01Å
493T26.5Very low34.3Very low119 Ų119121.7 Ų121.773%0.7372%0.723SS**  trans-67.4137.2161.652.40000109.4P491 S495P491-T493 PolarHBondContact O-N 3.34Å; P491-T493 VanDerWaalsContact O-N 3.13Å; T493-S495 PolarHBondContact O-N 3.21Å
494S32.5Very low35.8Very low124 Ų124122 Ų12287%0.86771%0.714SS**SBendtrans-38.8103175.654.50000114.6
495S27.6Very low38.2Very low94 Ų94117.8 Ų117.866%0.65770%0.696SS**  trans-157.2104.2157.662.70000110.8T493T493-S495 PolarHBondContact O-N 3.21Å
496L28.4Very low41.1Very low157 Ų157113.8 Ų113.882%0.82267%0.667SS**  trans39.491.8149.6-63.7115.1000117.8
497S29.2Very low44.1Very low132 Ų132105.2 Ų105.292%0.92362%0.622SS**  trans-109.562.4145.969.70000109.3
498S36.1Very low47.1Very low69 Ų69103 Ų10348%0.48361%0.607SS.*  trans-126.2111169.254.90000107.3
499T37Very low50.1Low86 Ų86100 Ų10053%0.52858%0.58SS.*SBendtrans160.6-8.8143.442.40000115.4N501T499-N501 PolarHBondContact O-N 3.3Å
500S43.2Very low53.2Low105 Ų10594.5 Ų94.573%0.73454%0.541SS*.THydrogen-bonded Turntrans-75.3-21.1-179.167.50000115.4
501N50.6Low56.4Low112 Ų11283.2 Ų83.260%0.59950%0.499SS*.THydrogen-bonded Turntrans-109.72.9-174-77.1-9.6000114.7T499 M504 T505T499-N501 PolarHBondContact O-N 3.3Å; N501-M504 PolarHBondContact O-N 2.86Å; N501-T505 WeakPolarHBondContact O-CB 3.41Å; N501-T505 PolarHBondContact O-N 3.19Å; N501-T505 PolarHBondContact O-OG1 3.01Å
502E55.7Low59.5Low118 Ų11878.6 Ų78.655%0.55147%0.469SS*.Hα-helixtrans-56.9-42.3-176.9-73.6-176.3176.100113.5T505 I506E502-T505 WeakPolarHBondContact O-CB 3.1Å; E502-T505 PolarHBondContact O-N 3.29Å; E502-I506 PolarHBondContact O-N 3.41Å; E502-I506 VanDerWaalsContact O-N 3.09Å
503P58.2Low62.9Low49 Ų4970 Ų7032%0.31843%0.425SS..Hα-helixtrans-64.7-46178.5-21.833.5000113.8A470 T505 I506 V507A470-P503 HydrophobicContact CB-CB 3.97Å; A470-P503 HydrophobicContact CB-CG 4.24Å; P503-T505 PolarHBondContact O-N 2.81Å; P503-I506 VanDerWaalsContact O-CG2 3.31Å; P503-I506 WeakPolarHBondContact O-CG2 3.38Å; P503-I506 PolarHBondContact O-N 3.48Å; P503-V507 WeakPolarHBondContact O-CG2 3.38Å; P503-V507 PolarHBondContact O-N 3.33Å
504M59.3Low66.3Low114 Ų11464.4 Ų64.456%0.56239%0.39SS*.Hα-helixtrans-60.7-32.7174.9-83.1-67.4-71.400111.9N501 S508N501-M504 PolarHBondContact O-N 2.86Å; M504-S508 WeakPolarHBondContact O-CB 3.38Å; M504-S508 PolarHBondContact O-N 2.94Å; M504-S508 VanDerWaalsContact O-N 3.13Å; M504-S508 PolarHBondContact O-OG 3.19Å
505T83.4Confident69.3Low58 Ų5858.9 Ų58.936%0.35635%0.352SS..Hα-helixtrans-69.5-45.6179.9-53.60000111.5N501 E502 P503 S508 K509N501-T505 WeakPolarHBondContact O-CB 3.41Å; N501-T505 PolarHBondContact O-N 3.19Å; N501-T505 PolarHBondContact O-OG1 3.01Å; E502-T505 WeakPolarHBondContact O-CB 3.1Å; E502-T505 PolarHBondContact O-N 3.29Å; P503-T505 PolarHBondContact O-N 2.81Å; T505-S508 PolarHBondContact O-N 3.09Å; T505-S508 PolarHBondContact O-OG 3.41Å; T505-K509 WeakPolarHBondContact O-CG 3.45Å; T505-K509 PolarHBondContact O-N 3.49Å; T505-K509 VanDerWaalsContact O-N 3.14Å
506I89.5Confident72.7Confident8 Ų855 Ų554%0.04132%0.324CS..Hα-helixtrans-70-39.5-178.9-166.962.6000112.3I463 Q466 L467 A470 E502 P503 S508 K509 V510I463-I506 HydrophobicContact CD1-CD1 4.34Å; I463-I506 HydrophobicContact CG1-CD1 3.58Å; Q466-I506 HydrophobicContact CB-CD1 3.89Å; Q466-I506 HydrophobicContact CB-CG1 3.99Å; L467-I506 HydrophobicContact CB-CG1 4.26Å; L467-I506 HydrophobicContact CD1-CG1 4.45Å; L467-I506 HydrophobicContact CD1-CG2 3.94Å; A470-I506 HydrophobicContact CB-CG2 3.57Å; E502-I506 PolarHBondContact O-N 3.41Å; E502-I506 VanDerWaalsContact O-N 3.09Å; P503-I506 VanDerWaalsContact O-CG2 3.31Å; P503-I506 WeakPolarHBondContact O-CG2 3.38Å; P503-I506 PolarHBondContact O-N 3.48Å; I506-S508 VanDerWaalsContact C-N 3.32Å; I506-S508 PolarHBondContact O-N 3.3Å; I506-K509 HydrophobicContact CD1-CD 4.02Å; I506-K509 WeakPolarHBondContact O-CB 3.3Å; I506-K509 PolarHBondContact O-N 2.98Å; I506-K509 VanDerWaalsContact O-N 3.15Å; I506-V510 WeakPolarHBondContact O-CG2 3.44Å; I506-V510 PolarHBondContact O-N 3.01Å; I506-V510 VanDerWaalsContact O-N 3.08Å
507V92.3Very high75.9Confident5 Ų548.3 Ų48.33%0.0329%0.289CS..Hα-helixtrans-58.4-45.7174.31720000110.6L467 P503 K509 V510 E511 L559 D563L467-V507 HydrophobicContact CD1-CG2 3.81Å; P503-V507 WeakPolarHBondContact O-CG2 3.38Å; P503-V507 PolarHBondContact O-N 3.33Å; V507-K509 VanDerWaalsContact C-N 3.3Å; V507-K509 PolarHBondContact O-N 3.39Å; V507-V510 PolarHBondContact O-N 2.95Å; V507-E511 WeakPolarHBondContact O-CG 3.36Å; V507-E511 PolarHBondContact O-N 2.88Å; V507-L559 HydrophobicContact CB-CD2 4.41Å; V507-L559 HydrophobicContact CG1-CD2 3.94Å; V507-L559 HydrophobicContact CG2-CD2 3.93Å; V507-D563 HydrophobicContact CG1-CB 3.71Å
508S91.8Very high79.2Confident49 Ų4942 Ų4234%0.34325%0.245SC..Hα-helixtrans-62.4-35.2177.974.80000113M504 T505 I506 E511 S512M504-S508 WeakPolarHBondContact O-CB 3.38Å; M504-S508 PolarHBondContact O-N 2.94Å; M504-S508 VanDerWaalsContact O-N 3.13Å; M504-S508 PolarHBondContact O-OG 3.19Å; T505-S508 PolarHBondContact O-N 3.09Å; T505-S508 PolarHBondContact O-OG 3.41Å; I506-S508 VanDerWaalsContact C-N 3.32Å; I506-S508 PolarHBondContact O-N 3.3Å; S508-E511 PolarHBondContact O-N 3.4Å; S508-S512 WeakPolarHBondContact O-CB 3.4Å; S508-S512 PolarHBondContact O-N 2.92Å; S508-S512 PolarHBondContact O-OG 3.35Å; S508-S512 VanDerWaalsContact O-OG 3.12Å
509K93.7Very high82.1Confident47 Ų4738.7 Ų38.720%0.20422%0.222CC..Hα-helixtrans-63.9-47.5174.6-72.7177.6177.3-178.90111L457 I463 T505 I506 V507 E511 S512 V513L457-K509 HydrophobicContact CD1-CB 4.17Å; L457-K509 HydrophobicContact CD1-CG 4.36Å; L457-K509 HydrophobicContact CD2-CB 4.2Å; L457-K509 HydrophobicContact CD2-CD 4.16Å; L457-K509 HydrophobicContact CD2-CG 4Å; I463-K509 HydrophobicContact CD1-CB 4.31Å; T505-K509 WeakPolarHBondContact O-CG 3.45Å; T505-K509 PolarHBondContact O-N 3.49Å; T505-K509 VanDerWaalsContact O-N 3.14Å; I506-K509 HydrophobicContact CD1-CD 4.02Å; I506-K509 WeakPolarHBondContact O-CB 3.3Å; I506-K509 PolarHBondContact O-N 2.98Å; I506-K509 VanDerWaalsContact O-N 3.15Å; V507-K509 VanDerWaalsContact C-N 3.3Å; V507-K509 PolarHBondContact O-N 3.39Å; K509-E511 VanDerWaalsContact C-N 3.31Å; K509-E511 PolarHBondContact O-N 3.23Å; K509-S512 WeakPolarHBondContact O-CB 3.34Å; K509-S512 PolarHBondContact O-N 3.36Å; K509-S512 VanDerWaalsContact O-N 3.13Å; K509-V513 WeakPolarHBondContact O-CG2 3.39Å; K509-V513 PolarHBondContact O-N 2.97Å
510V95.7Very high85Confident0 Ų034.7 Ų34.70%020%0.197CC..Hα-helixtrans-59.1-46.9178.3176.20000110I459 I463 L467 I506 V507 S512 V513 F514 I555 L559 L567I459-V510 HydrophobicContact CD1-CG1 4.47Å; I463-V510 HydrophobicContact CD1-CG2 4.25Å; I463-V510 HydrophobicContact CG1-CG2 4.47Å; L467-V510 HydrophobicContact CD1-CG2 4.46Å; L467-V510 HydrophobicContact CD2-CG2 4.33Å; I506-V510 WeakPolarHBondContact O-CG2 3.44Å; I506-V510 PolarHBondContact O-N 3.01Å; I506-V510 VanDerWaalsContact O-N 3.08Å; V507-V510 PolarHBondContact O-N 2.95Å; V510-S512 VanDerWaalsContact C-N 3.32Å; V510-S512 PolarHBondContact O-N 2.9Å; V510-V513 WeakPolarHBondContact O-CB 3.3Å; V510-V513 PolarHBondContact O-N 3.34Å; V510-V513 VanDerWaalsContact O-N 3.17Å; V510-F514 HydrophobicContact CG1-CD2 4.2Å; V510-F514 HydrophobicContact CG1-CE2 4.17Å; V510-F514 WeakPolarHBondContact O-CD2 3.41Å; V510-F514 PolarHBondContact O-N 3.48Å; V510-I555 HydrophobicContact CG1-CD1 4.37Å; V510-I555 HydrophobicContact CG1-CG2 3.62Å; V510-L559 HydrophobicContact CG1-CD1 4.49Å; V510-L567 HydrophobicContact CG1-CD1 3.82Å
511E95.9Very high87.6Confident3 Ų329.7 Ų29.71%0.01416%0.162CC..Hα-helixtrans-58.5-40.8174.4-73.4176.8-168.500113.7V507 S508 K509 V513 F514 S515 R566 L567 K570V507-E511 WeakPolarHBondContact O-CG 3.36Å; V507-E511 PolarHBondContact O-N 2.88Å; S508-E511 PolarHBondContact O-N 3.4Å; K509-E511 VanDerWaalsContact C-N 3.31Å; K509-E511 PolarHBondContact O-N 3.23Å; E511-V513 VanDerWaalsContact C-N 3.32Å; E511-V513 PolarHBondContact O-N 2.84Å; E511-F514 PolarHBondContact O-N 3.43Å; E511-S515 PolarHBondContact O-N 3.36Å; E511-R566 IonicContact OE1-CZ 2.71Å; E511-R566 IonicContact OE1-NE 3.45Å; E511-R566 PolarHBondContact OE1-NE 3.5Å; E511-R566 IonicContact OE1-NH2 2.6Å; E511-R566 PolarHBondContact OE1-NH2 3.48Å; E511-R566 IonicContact OE2-CZ 3.95Å; E511-R566 IonicContact OE2-NE 3.62Å; E511-R566 PolarHBondContact OE2-NE 3.05Å; E511-R566 IonicContact OE2-NH2 3.65Å; E511-L567 HydrophobicContact CG-CB 3.97Å; E511-L567 HydrophobicContact CG-CG 4.48Å; E511-K570 HydrophobicContact CB-CD 3.86Å; E511-K570 IonicContact OE2-NZ 3.67Å; E511-K570 PolarHBondContact OE2-NZ 2.95Å
512S95.9Very high89.8Confident22 Ų2224.6 Ų24.615%0.15414%0.136CC..Hα-helixtrans-63-38.3176.6-72.70000111.8S508 K509 V510 S515S508-S512 WeakPolarHBondContact O-CB 3.4Å; S508-S512 PolarHBondContact O-N 2.92Å; S508-S512 PolarHBondContact O-OG 3.35Å; S508-S512 VanDerWaalsContact O-OG 3.12Å; K509-S512 WeakPolarHBondContact O-CB 3.34Å; K509-S512 PolarHBondContact O-N 3.36Å; K509-S512 VanDerWaalsContact O-N 3.13Å; V510-S512 VanDerWaalsContact C-N 3.32Å; V510-S512 PolarHBondContact O-N 2.9Å; S512-S515 WeakPolarHBondContact CA-OG 3.43Å; S512-S515 PolarHBondContact O-N 3Å; S512-S515 VanDerWaalsContact O-N 3.15Å; S512-S515 PolarHBondContact O-OG 3.01Å
513V97.6Very high91.7Very high0 Ų019 Ų190%011%0.11CC..Hα-helixtrans-59-49.5173.9175.70000110.9L457 I459 K509 V510 E511 S515 S516 C519 L520L457-V513 HydrophobicContact CB-CG2 3.38Å; L457-V513 HydrophobicContact CD1-CG2 4.49Å; I459-V513 HydrophobicContact CD1-CB 3.99Å; I459-V513 HydrophobicContact CD1-CG1 3.77Å; I459-V513 HydrophobicContact CD1-CG2 4.13Å; I459-V513 HydrophobicContact CG1-CB 4.48Å; I459-V513 HydrophobicContact CG1-CG1 3.7Å; K509-V513 WeakPolarHBondContact O-CG2 3.39Å; K509-V513 PolarHBondContact O-N 2.97Å; V510-V513 WeakPolarHBondContact O-CB 3.3Å; V510-V513 PolarHBondContact O-N 3.34Å; V510-V513 VanDerWaalsContact O-N 3.17Å; E511-V513 VanDerWaalsContact C-N 3.32Å; E511-V513 PolarHBondContact O-N 2.84Å; V513-S515 PolarHBondContact O-N 3.46Å; V513-S516 PolarHBondContact O-N 3.43Å; V513-S516 VanDerWaalsContact O-N 3.13Å; V513-C519 HydrophobicContact CB-CB 4.32Å; V513-C519 HydrophobicContact CG1-CB 3.94Å; V513-L520 HydrophobicContact CG1-CD2 4.09Å
514F98.1Very high93.5Very high0 Ų017 Ų170%010%0.097CC..Hα-helixtrans-69.1-15.3178.4-79.5-92.1000113.8I459 V510 E511 S516 L520 Q552 I555 F556 L567 L571 V575 F594 L595 L600I459-F514 HydrophobicContact CD1-CE2 4.25Å; I459-F514 HydrophobicContact CG1-CE2 4.36Å; V510-F514 HydrophobicContact CG1-CD2 4.2Å; V510-F514 HydrophobicContact CG1-CE2 4.17Å; V510-F514 WeakPolarHBondContact O-CD2 3.41Å; V510-F514 PolarHBondContact O-N 3.48Å; E511-F514 PolarHBondContact O-N 3.43Å; F514-S516 VanDerWaalsContact C-N 3.32Å; F514-L520 HydrophobicContact CD1-CD2 4.23Å; F514-L520 HydrophobicContact CE1-CD2 4.49Å; F514-L520 HydrophobicContact CG-CD2 4.46Å; F514-Q552 HydrophobicContact CZ-CG 4.18Å; F514-I555 HydrophobicContact CE2-CD1 4.49Å; F514-F556 HydrophobicContact CE1-CE1 4.08Å; F514-F556 AromaticContact CE1-CZ 3.84Å; F514-F556 HydrophobicContact CE1-CZ 3.84Å; F514-F556 HydrophobicContact CE2-CE1 4.33Å; F514-F556 AromaticContact CZ-CE1 3.73Å; F514-F556 HydrophobicContact CZ-CE1 3.73Å; F514-F556 AromaticContact CZ-CZ 3.68Å; F514-F556 HydrophobicContact CZ-CZ 3.68Å; F514-L567 HydrophobicContact CB-CD2 3.94Å; F514-L567 HydrophobicContact CB-CG 3.93Å; F514-L567 HydrophobicContact CD1-CD2 3.88Å; F514-L567 HydrophobicContact CD2-CD1 3.74Å; F514-L567 HydrophobicContact CD2-CD2 4.07Å; F514-L567 HydrophobicContact CD2-CG 4.06Å; F514-L567 HydrophobicContact CE1-CD2 4.38Å; F514-L567 HydrophobicContact CE2-CD1 4.15Å; F514-L567 HydrophobicContact CG-CD1 4.17Å; F514-L567 HydrophobicContact CG-CD2 3.69Å; F514-L567 HydrophobicContact CG-CG 3.97Å; F514-L571 HydrophobicContact CB-CB 4.45Å; F514-L571 HydrophobicContact CD1-CD1 4.32Å; F514-L571 HydrophobicContact CD1-CD2 4.34Å; F514-L571 VanDerWaalsContact O-CA 3.31Å; F514-L571 WeakPolarHBondContact O-CA 3.34Å; F514-L571 WeakPolarHBondContact O-CD1 3.45Å; F514-V575 WeakPolarHBondContact O-CG2 3.48Å; F514-F594 HydrophobicContact CE1-CE1 4.31Å; F514-F594 HydrophobicContact CZ-CE1 4.29Å; F514-L595 HydrophobicContact CE1-CD2 4.35Å; F514-L600 HydrophobicContact CE1-CD1 4.49Å
515S97Very high95Very high9 Ų912.2 Ų12.26%0.0637%0.073CC..THydrogen-bonded Turntrans-84-0.6172.981.30000114.3E511 S512 V513 N574E511-S515 PolarHBondContact O-N 3.36Å; S512-S515 WeakPolarHBondContact CA-OG 3.43Å; S512-S515 PolarHBondContact O-N 3Å; S512-S515 VanDerWaalsContact O-N 3.15Å; S512-S515 PolarHBondContact O-OG 3.01Å; V513-S515 PolarHBondContact O-N 3.46Å; S515-N574 WeakPolarHBondContact O-CB 3.5Å
516S97.6Very high95.2Very high12 Ų1210.9 Ų10.98%0.0846%0.063CC..  trans-137.9120.8-175.5175.70000113T160 V513 F514 G518 C519 L520T160-S516 VanDerWaalsContact O-CB 3.27Å; T160-S516 WeakPolarHBondContact O-CB 3.35Å; T160-S516 PolarHBondContact O-OG 2.87Å; V513-S516 PolarHBondContact O-N 3.43Å; V513-S516 VanDerWaalsContact O-N 3.13Å; F514-S516 VanDerWaalsContact C-N 3.32Å; S516-G518 PolarHBondContact O-N 3.29Å; S516-G518 PolarHBondContact OG-N 3.23Å; S516-C519 PolarHBondContact O-N 3.27Å; S516-C519 PolarHBondContact OG-N 3.18Å; S516-L520 WeakPolarHBondContact O-CG 3.47Å; S516-L520 PolarHBondContact O-N 3.45Å
517L97.2Very high94.8Very high16 Ų1615.8 Ų15.88%0.0849%0.086CC..Hα-helixtrans-60.5-32.8172.5-174.266.3000112.4L520 S521 V575 Y583 C588 L592L517-L520 PolarHBondContact O-N 3.07Å; L517-S521 WeakPolarHBondContact O-CB 3.47Å; L517-S521 PolarHBondContact O-N 3.16Å; L517-S521 PolarHBondContact O-OG 3.25Å; L517-V575 HydrophobicContact CB-CG1 4.26Å; L517-V575 HydrophobicContact CD1-CG1 4.01Å; L517-Y583 HydrophobicContact CD2-CD1 3.88Å; L517-Y583 HydrophobicContact CD2-CE1 3.25Å; L517-C588 HydrophobicContact CD2-CB 4.31Å; L517-L592 HydrophobicContact CD1-CD2 4.5Å
518G97.3Very high93.8Very high0 Ų022.6 Ų22.60%012%0.115CC..Hα-helixtrans-66.9-38.9177.500000112.3G195 S516 S521 A522G195-G518 WeakPolarHBondContact O-CA 3.44Å; S516-G518 PolarHBondContact O-N 3.29Å; S516-G518 PolarHBondContact OG-N 3.23Å; G518-S521 PolarHBondContact O-N 3.32Å; G518-A522 PolarHBondContact O-N 2.92Å
519C98.2Very high93Very high0 Ų025.6 Ų25.60%012%0.124CC..Hα-helixtrans-68.8-44.5174-67.20000112.1D159 L457 V513 S516 S521 A522 S523D159-C519 PolarHBondContact O-SG 2.91Å; L457-C519 WeakPolarHBondContact O-CB 3.49Å; L457-C519 PolarHBondContact O-SG 3.34Å; V513-C519 HydrophobicContact CB-CB 4.32Å; V513-C519 HydrophobicContact CG1-CB 3.94Å; S516-C519 PolarHBondContact O-N 3.27Å; S516-C519 PolarHBondContact OG-N 3.18Å; C519-S521 VanDerWaalsContact C-N 3.29Å; C519-S521 PolarHBondContact O-N 3.38Å; C519-A522 PolarHBondContact O-N 3.36Å; C519-A522 VanDerWaalsContact O-N 3.14Å; C519-S523 PolarHBondContact O-N 3.42Å; C519-S523 PolarHBondContact O-OG 3.36Å
520L98Very high91.8Very high1 Ų128.2 Ų28.21%0.00515%0.146CC..Hα-helixtrans-60.1-40.9174.5-65.4176.8000111.4V513 F514 S516 L517 A522 S523 L571 V575 F594 L595V513-L520 HydrophobicContact CG1-CD2 4.09Å; F514-L520 HydrophobicContact CD1-CD2 4.23Å; F514-L520 HydrophobicContact CE1-CD2 4.49Å; F514-L520 HydrophobicContact CG-CD2 4.46Å; S516-L520 WeakPolarHBondContact O-CG 3.47Å; S516-L520 PolarHBondContact O-N 3.45Å; L517-L520 PolarHBondContact O-N 3.07Å; L520-A522 PolarHBondContact O-N 2.87Å; L520-S523 WeakPolarHBondContact O-CB 3.41Å; L520-S523 PolarHBondContact O-N 3.11Å; L520-S523 VanDerWaalsContact O-N 3.12Å; L520-L571 HydrophobicContact CD1-CD1 4.17Å; L520-V575 HydrophobicContact CD1-CG1 4.15Å; L520-V575 HydrophobicContact CD1-CG2 4.28Å; L520-F594 HydrophobicContact CD2-CD1 3.77Å; L520-F594 HydrophobicContact CD2-CE1 3.64Å; L520-L595 HydrophobicContact CD1-CD1 4.08Å; L520-L595 HydrophobicContact CD1-CD2 4.33Å; L520-L595 HydrophobicContact CD1-CG 4.27Å
521S96.8Very high90.5Very high0 Ų029.9 Ų29.90%016%0.155CC..Hα-helixtrans-69.5-15.8178-59.10000114.1L517 G518 C519 E587 C588 R590 G591L517-S521 WeakPolarHBondContact O-CB 3.47Å; L517-S521 PolarHBondContact O-N 3.16Å; L517-S521 PolarHBondContact O-OG 3.25Å; G518-S521 PolarHBondContact O-N 3.32Å; C519-S521 VanDerWaalsContact C-N 3.29Å; C519-S521 PolarHBondContact O-N 3.38Å; S521-E587 WeakPolarHBondContact CB-O 3.4Å; S521-E587 PolarHBondContact OG-O 2.82Å; S521-C588 PolarHBondContact OG-O 3.47Å; S521-C588 VanDerWaalsContact OG-O 3.12Å; S521-R590 PolarHBondContact O-NE 3.37Å; S521-G591 PolarHBondContact OG-N 3.08Å; S521-G591 VanDerWaalsContact OG-N 3.16Å
522A96.4Very high89.6Confident5 Ų530.7 Ų30.74%0.04116%0.161CC..THydrogen-bonded Turntrans-100.20.1174.200000112.9P197 V213 W448 I456 T458 G518 C519 L520P197-A522 HydrophobicContact CB-CB 3.66Å; V213-A522 HydrophobicContact CG2-CB 4.33Å; W448-A522 HydrophobicContact CH2-CB 4.43Å; I456-A522 HydrophobicContact CD1-CB 3.81Å; T458-A522 HydrophobicContact CG2-CB 3.6Å; T458-A522 WeakPolarHBondContact CG2-O 3.49Å; G518-A522 PolarHBondContact O-N 2.92Å; C519-A522 PolarHBondContact O-N 3.36Å; C519-A522 VanDerWaalsContact O-N 3.14Å; L520-A522 PolarHBondContact O-N 2.87Å
523S96.7Very high88.9Confident1 Ų130.7 Ų30.71%0.00716%0.158CC..SBendtrans-93.7141.8-175-64.30000111.4I459 C519 L520 L525I459-S523 PolarHBondContact N-OG 2.85Å; C519-S523 PolarHBondContact O-N 3.42Å; C519-S523 PolarHBondContact O-OG 3.36Å; L520-S523 WeakPolarHBondContact O-CB 3.41Å; L520-S523 PolarHBondContact O-N 3.11Å; L520-S523 VanDerWaalsContact O-N 3.12Å; S523-L525 VanDerWaalsContact C-N 3.29Å; S523-L525 PolarHBondContact O-N 3.25Å
524C94.8Very high88.3Confident8 Ų831.8 Ų31.85%0.05416%0.163CC..SBendtrans51.343.9176.9-59.20000113.7I459 V543 D544 L547 A548 F594I459-C524 PolarHBondContact O-N 3.48Å; C524-V543 WeakPolarHBondContact O-CG1 3.24Å; C524-D544 PolarHBondContact O-N 3.42Å; C524-L547 HydrophobicContact CB-CD2 4.39Å; C524-L547 HydrophobicContact CB-CG 4.47Å; C524-A548 HydrophobicContact CB-CB 3.97Å; C524-F594 HydrophobicContact CB-CD2 4.27Å; C524-F594 HydrophobicContact CB-CE2 4.22Å
525L92.5Very high87.6Confident12 Ų1236.9 Ų36.96%0.06319%0.185CC..BIsolated β-bridgetrans-64.1146.8175.7-62.7-175.8000111V213 S523 E527 H533 R590V213-L525 HydrophobicContact CB-CD1 4.45Å; V213-L525 HydrophobicContact CG1-CD1 3.45Å; V213-L525 VanDerWaalsContact CG1-CD1 3.45Å; S523-L525 VanDerWaalsContact C-N 3.29Å; S523-L525 PolarHBondContact O-N 3.25Å; L525-E527 PolarHBondContact O-N 3.38Å; L525-H533 HydrophobicContact CB-CB 3.93Å; L525-H533 HydrophobicContact CD1-CB 4.2Å; L525-H533 HydrophobicContact CD2-CB 4.45Å; L525-H533 HydrophobicContact CG-CB 4.42Å; L525-R590 VanDerWaalsContact CD2-NH1 3.33Å
526E87.5Confident87.2Confident30 Ų3037.2 Ų37.214%0.1419%0.187CC..  trans-67.7123.3179-169.366.1-115.500110.3K528 S532 G542E526-K528 WeakPolarHBondContact OE1-CB 3.4Å; E526-K528 WeakPolarHBondContact OE1-CD 3.46Å; E526-K528 VanDerWaalsContact OE1-CE 3.32Å; E526-K528 WeakPolarHBondContact OE1-CE 3.38Å; E526-K528 WeakPolarHBondContact OE1-CG 3.39Å; E526-K528 IonicContact OE1-NZ 2.7Å; E526-K528 PolarHBondContact OE1-NZ 3.08Å; E526-K528 IonicContact OE2-NZ 3.62Å; E526-K528 PolarHBondContact OE2-NZ 3.28Å; E526-S532 VanDerWaalsContact CG-OG 3.31Å; E526-S532 WeakPolarHBondContact CG-OG 3.37Å; E526-G542 PolarHBondContact N-O 3.01Å
527E80.1Confident86.8Confident112 Ų11239.4 Ų39.452%0.52320%0.198SC..  trans-123.6-0.7-176.6-71.7179.1-16800112.6R450 L525 E529R450-E527 IonicContact CZ-OE1 3.91Å; R450-E527 IonicContact NH1-OE1 2.87Å; R450-E527 PolarHBondContact NH1-OE1 3.12Å; R450-E527 IonicContact NH1-OE2 4Å; R450-E527 IonicContact NH2-OE1 3.97Å; R450-E527 IonicContact NH2-OE2 2.82Å; L525-E527 PolarHBondContact O-N 3.38Å; E527-E529 PolarHBondContact O-N 3.12Å
528K72.2Confident86.5Confident148 Ų14846.4 Ų46.464%0.64322%0.223SC*.SBendtrans-60.4-43.5-179-72.9174.1-161118.80113.1E526 D544E526-K528 WeakPolarHBondContact OE1-CB 3.4Å; E526-K528 WeakPolarHBondContact OE1-CD 3.46Å; E526-K528 VanDerWaalsContact OE1-CE 3.32Å; E526-K528 WeakPolarHBondContact OE1-CE 3.38Å; E526-K528 WeakPolarHBondContact OE1-CG 3.39Å; E526-K528 IonicContact OE1-NZ 2.7Å; E526-K528 PolarHBondContact OE1-NZ 3.08Å; E526-K528 IonicContact OE2-NZ 3.62Å; E526-K528 PolarHBondContact OE2-NZ 3.28Å; K528-D544 WeakPolarHBondContact CE-OD2 3.39Å; K528-D544 IonicContact NZ-OD1 3.83Å; K528-D544 IonicContact NZ-OD2 3.88Å; K528-D544 PolarHBondContact NZ-OD2 3.04Å
529E73.3Confident86.1Confident111 Ų11150.2 Ų50.252%0.51924%0.241SC..SBendtrans-99.9144167.4-69.7-169.9175.300110.4E527 N531 S532 K535E527-E529 PolarHBondContact O-N 3.12Å; E529-N531 PolarHBondContact O-N 3.23Å; E529-S532 PolarHBondContact O-N 3.13Å; E529-K535 IonicContact OE2-NZ 2.82Å; E529-K535 PolarHBondContact OE2-NZ 2.92Å
530P69Low85.7Confident103 Ų10354.5 Ų54.567%0.66926%0.261SS*.THydrogen-bonded Turntrans-49.9128.2166-2231.8000109.8S532P530-S532 VanDerWaalsContact C-N 3.27Å; P530-S532 PolarHBondContact O-N 3.26Å
531N69Low85.5Confident34 Ų3455.3 Ų55.318%0.18227%0.265CS..THydrogen-bonded Turntrans69.512.9172.3-43.6-20.2000115.6E289 R305 E529 H533 F534 K535E289-N531 VanDerWaalsContact OE1-CB 3.28Å; E289-N531 WeakPolarHBondContact OE1-CB 3.43Å; E289-N531 VanDerWaalsContact OE1-CG 3.27Å; E289-N531 PolarHBondContact OE1-ND2 3.48Å; E289-N531 PolarHBondContact OE2-ND2 3.16Å; R305-N531 WeakPolarHBondContact CD-OD1 3.28Å; R305-N531 PolarHBondContact NE-OD1 3.24Å; E529-N531 PolarHBondContact O-N 3.23Å; N531-H533 VanDerWaalsContact C-N 3.28Å; N531-H533 PolarHBondContact O-N 2.88Å; N531-F534 HydrophobicContact CB-CB 4.31Å; N531-F534 HydrophobicContact CB-CD2 4.16Å; N531-F534 WeakPolarHBondContact O-CA 3.26Å; N531-F534 WeakPolarHBondContact O-CB 3.46Å; N531-F534 PolarHBondContact O-N 3.03Å; N531-K535 PolarHBondContact O-N 3.42Å
532S77.6Confident85.2Confident21 Ų2155.6 Ų55.615%0.14727%0.267CS..G310 helixtrans-51.6-45.3-178.7-1750000112.7E526 E529 P530 F534 K535E526-S532 VanDerWaalsContact CG-OG 3.31Å; E526-S532 WeakPolarHBondContact CG-OG 3.37Å; E529-S532 PolarHBondContact O-N 3.13Å; P530-S532 VanDerWaalsContact C-N 3.27Å; P530-S532 PolarHBondContact O-N 3.26Å; S532-F534 VanDerWaalsContact C-N 3.31Å; S532-F534 PolarHBondContact O-N 3.43Å; S532-K535 WeakPolarHBondContact O-CB 2.85Å; S532-K535 PolarHBondContact O-N 3.22Å
533H80.8Confident85.1Confident21 Ų2155.4 Ų55.410%0.09727%0.266CS..G310 helixtrans-70.3-17.3177.368.7-90.2000115.7S214 L525 N531 K535 T536S214-H533 WeakPolarHBondContact CB-O 3.29Å; S214-H533 PolarHBondContact OG-O 3.36Å; L525-H533 HydrophobicContact CB-CB 3.93Å; L525-H533 HydrophobicContact CD1-CB 4.2Å; L525-H533 HydrophobicContact CD2-CB 4.45Å; L525-H533 HydrophobicContact CG-CB 4.42Å; N531-H533 VanDerWaalsContact C-N 3.28Å; N531-H533 PolarHBondContact O-N 2.88Å; H533-K535 VanDerWaalsContact C-N 3.29Å; H533-T536 PolarHBondContact O-OG1 3.1Å
534F85.3Confident85Confident24 Ų2456.5 Ų56.511%0.10527%0.271CS..G310 helixtrans-76-20.7170.4-72.5-96.4000111.7S214 E289 V291 N531 S532 T536S214-F534 VanDerWaalsContact C-CD1 3.44Å; S214-F534 WeakPolarHBondContact O-CD1 3.25Å; E289-F534 HydrophobicContact CB-CD1 3.88Å; E289-F534 HydrophobicContact CB-CE1 4.12Å; E289-F534 HydrophobicContact CB-CG 4.43Å; E289-F534 HydrophobicContact CG-CB 4.14Å; E289-F534 HydrophobicContact CG-CD1 3.99Å; E289-F534 HydrophobicContact CG-CG 4.13Å; V291-F534 HydrophobicContact CG1-CE1 4.24Å; V291-F534 HydrophobicContact CG1-CZ 3.95Å; N531-F534 HydrophobicContact CB-CB 4.31Å; N531-F534 HydrophobicContact CB-CD2 4.16Å; N531-F534 WeakPolarHBondContact O-CA 3.26Å; N531-F534 WeakPolarHBondContact O-CB 3.46Å; N531-F534 PolarHBondContact O-N 3.03Å; S532-F534 VanDerWaalsContact C-N 3.31Å; S532-F534 PolarHBondContact O-N 3.43Å; F534-T536 PolarHBondContact O-N 2.92Å
535K82.6Confident85.1Confident107 Ų10756.7 Ų56.747%0.46527%0.272SS..G310 helixtrans-81.43.1175.5-55.9176.9-175.4172.80113.4E529 N531 S532 H533 D537E529-K535 IonicContact OE2-NZ 2.82Å; E529-K535 PolarHBondContact OE2-NZ 2.92Å; N531-K535 PolarHBondContact O-N 3.42Å; S532-K535 WeakPolarHBondContact O-CB 2.85Å; S532-K535 PolarHBondContact O-N 3.22Å; H533-K535 VanDerWaalsContact C-N 3.29Å; K535-D537 PolarHBondContact O-N 3.31Å
536T88.3Confident85.2Confident16 Ų1658.4 Ų58.410%0.09828%0.281CS..  trans-53.2117.1-179.8-56.10000110.2H533 F534 E540 I586 E587 R590 W667H533-T536 PolarHBondContact O-OG1 3.1Å; F534-T536 PolarHBondContact O-N 2.92Å; T536-E540 WeakPolarHBondContact CA-O 3.36Å; T536-I586 HydrophobicContact CG2-CD1 4.48Å; T536-E587 HydrophobicContact CG2-CG 4.49Å; T536-R590 HydrophobicContact CG2-CG 4.45Å; T536-R590 PolarHBondContact OG1-NH1 2.73Å; T536-W667 HydrophobicContact CG2-CH2 4.27Å; T536-W667 HydrophobicContact CG2-CZ2 4.09Å
537D89.5Confident85.7Confident57 Ų5759.4 Ų59.431%0.30529%0.287SS..SBendtrans-146.9-156.4-175.574.28.7000111.6K535 E539 E540 I586 W667K535-D537 PolarHBondContact O-N 3.31Å; D537-E539 PolarHBondContact O-N 2.98Å; D537-E539 WeakPolarHBondContact OD1-CA 3.49Å; D537-E539 PolarHBondContact OD1-N 3.04Å; D537-E540 PolarHBondContact N-O 3.17Å; D537-E540 PolarHBondContact OD1-N 3.29Å; D537-I586 VanDerWaalsContact C-CD1 3.49Å; D537-I586 WeakPolarHBondContact O-CD1 3.46Å; D537-W667 VanDerWaalsContact O-CZ2 3.26Å; D537-W667 WeakPolarHBondContact O-CZ2 3.39Å; D537-W667 PolarHBondContact O-NE1 3.05Å; D537-W667 VanDerWaalsContact O-NE1 3.13Å
538R91.2Very high86.5Confident164 Ų16454.1 Ų54.162%0.61926%0.262SS*.SBendtrans-73.1-19.9-178.9-66.1-177.2175.8170.9-1.7113.2I663R538-I663 HydrophobicContact CB-CG1 4.5Å; R538-I663 HydrophobicContact CG-CD1 4.08Å; R538-I663 HydrophobicContact CG-CG1 4.19Å
539E89.3Confident87.7Confident79 Ų7948 Ų4837%0.36924%0.238SC..SBendtrans-104.6-37.9-176.4-54.3-50.9136.200111.1D537 R666D537-E539 PolarHBondContact O-N 2.98Å; D537-E539 WeakPolarHBondContact OD1-CA 3.49Å; D537-E539 PolarHBondContact OD1-N 3.04Å; E539-R666 IonicContact OE1-CZ 3.13Å; E539-R666 IonicContact OE1-NE 2.69Å; E539-R666 IonicContact OE1-NH1 2.75Å; E539-R666 PolarHBondContact OE1-NH1 3.46Å
540E89.6Confident88.8Confident90 Ų9048.7 Ų48.742%0.42124%0.239SC..  trans-108.7124.8-176.6-66.8-60.2155.800112.6T536 D537T536-E540 WeakPolarHBondContact CA-O 3.36Å; D537-E540 PolarHBondContact N-O 3.17Å; D537-E540 PolarHBondContact OD1-N 3.29Å
541H92.4Very high90.1Very high19 Ų1944 Ų449%0.08821%0.209CC..  trans-85.1-22.5179.857.176.5000114.2V543 R590 M593 W667H541-V543 PolarHBondContact CE1-O 3.24Å; H541-V543 PolarHBondContact ND1-N 3.43Å; H541-V543 PolarHBondContact ND1-O 2.96Å; H541-V543 PolarHBondContact O-N 3.42Å; H541-R590 WeakPolarHBondContact O-CD 3.05Å; H541-R590 WeakPolarHBondContact O-CG 3.44Å; H541-M593 HydrophobicContact CB-CG 4.41Å; H541-W667 HydrophobicContact CB-CB 4.13Å; H541-W667 HydrophobicContact CB-CD2 3.45Å; H541-W667 VanDerWaalsContact CB-CD2 3.45Å; H541-W667 HydrophobicContact CB-CE3 3.65Å; H541-W667 HydrophobicContact CB-CG 3.69Å; H541-W667 HydrophobicContact CB-CH2 4.32Å; H541-W667 HydrophobicContact CB-CZ2 4.19Å; H541-W667 HydrophobicContact CB-CZ3 4.05Å
542G91.3Very high91.5Very high5 Ų542.4 Ų42.45%0.05220%0.2CC..  trans6925.4173.500000116.3E526E526-G542 PolarHBondContact N-O 3.01Å
543V94.1Very high92.3Very high2 Ų242.7 Ų42.71%0.01220%0.202CC..BIsolated β-bridgetrans-121.3129.2179.1-177.80000109C524 H541 L545 R590C524-V543 WeakPolarHBondContact O-CG1 3.24Å; H541-V543 PolarHBondContact CE1-O 3.24Å; H541-V543 PolarHBondContact ND1-N 3.43Å; H541-V543 PolarHBondContact ND1-O 2.96Å; H541-V543 PolarHBondContact O-N 3.42Å; V543-L545 HydrophobicContact CB-CD2 4.4Å; V543-L545 HydrophobicContact CG1-CD2 4.11Å; V543-L545 PolarHBondContact O-N 3.22Å; V543-L545 VanDerWaalsContact O-N 3.1Å; V543-R590 HydrophobicContact CG2-CB 3.65Å; V543-R590 HydrophobicContact CG2-CG 3.79Å
544D94.7Very high93Very high23 Ų2344.3 Ų44.312%0.12321%0.209CC..  trans-76.696.3169.7-171.4-33.7000109.1C524 K528 D546 L547 A548C524-D544 PolarHBondContact O-N 3.42Å; K528-D544 WeakPolarHBondContact CE-OD2 3.39Å; K528-D544 IonicContact NZ-OD1 3.83Å; K528-D544 IonicContact NZ-OD2 3.88Å; K528-D544 PolarHBondContact NZ-OD2 3.04Å; D544-D546 VanDerWaalsContact C-N 3.26Å; D544-D546 PolarHBondContact O-N 3.07Å; D544-D546 WeakPolarHBondContact OD1-CB 3.18Å; D544-D546 PolarHBondContact OD1-N 3.35Å; D544-L547 HydrophobicContact CB-CB 3.93Å; D544-L547 PolarHBondContact O-N 3.18Å; D544-L547 PolarHBondContact OD1-N 3.07Å; D544-A548 WeakPolarHBondContact O-CB 3.04Å; D544-A548 PolarHBondContact O-N 2.91Å
545L96.2Very high93.5Very high12 Ų1243.1 Ų43.16%0.06320%0.204CC..Hα-helixtrans-65.7-27.5-178.1-64.2-178.7000112.9V543 C549 M593 V597 M671 Y675V543-L545 HydrophobicContact CB-CD2 4.4Å; V543-L545 HydrophobicContact CG1-CD2 4.11Å; V543-L545 PolarHBondContact O-N 3.22Å; V543-L545 VanDerWaalsContact O-N 3.1Å; L545-C549 VanDerWaalsContact O-CB 3.26Å; L545-C549 WeakPolarHBondContact O-CB 3.39Å; L545-C549 PolarHBondContact O-N 3.42Å; L545-M593 HydrophobicContact CD1-CE 4.22Å; L545-M593 HydrophobicContact CD2-CB 4.35Å; L545-M593 WeakPolarHBondContact CD2-O 3.5Å; L545-V597 HydrophobicContact CB-CG1 4.13Å; L545-V597 HydrophobicContact CD2-CG1 4.35Å; L545-M671 HydrophobicContact CD1-CB 4.48Å; L545-M671 HydrophobicContact CD1-CE 4.19Å; L545-M671 HydrophobicContact CD1-CG 4.06Å; L545-Y675 HydrophobicContact CB-CE2 4.27Å
546D96.3Very high94.1Very high49 Ų4938.6 Ų38.626%0.26219%0.185SC..Hα-helixtrans-74.4-42.7178.7-69.3-20.5000110.9D544 K550 Q672 R674 Y675D544-D546 VanDerWaalsContact C-N 3.26Å; D544-D546 PolarHBondContact O-N 3.07Å; D544-D546 WeakPolarHBondContact OD1-CB 3.18Å; D544-D546 PolarHBondContact OD1-N 3.35Å; D546-K550 WeakPolarHBondContact O-CB 3.21Å; D546-K550 PolarHBondContact O-N 3.04Å; D546-Q672 PolarHBondContact OD1-NE2 2.96Å; D546-Q672 PolarHBondContact OD1-OE1 3.27Å; D546-Q672 PolarHBondContact OD2-NE2 3.24Å; D546-R674 IonicContact OD1-CZ 3.61Å; D546-R674 IonicContact OD1-NH2 3.98Å; D546-R674 PolarHBondContact OD1-NH2 3.07Å; D546-R674 IonicContact OD2-NH2 2.73Å; D546-R674 PolarHBondContact OD2-NH2 3.33Å; D546-Y675 WeakPolarHBondContact OD1-CE2 3.32Å; D546-Y675 VanDerWaalsContact OD1-CZ 3.28Å; D546-Y675 PolarHBondContact OD1-OH 3.1Å
547L96.2Very high94.2Very high51 Ų5144.5 Ų44.527%0.26721%0.211SC..Hα-helixtrans-63.8-44.6172-174.163000111P461 C524 D544 C549 K550 L551P461-L547 HydrophobicContact CG-CD1 4.42Å; C524-L547 HydrophobicContact CB-CD2 4.39Å; C524-L547 HydrophobicContact CB-CG 4.47Å; D544-L547 HydrophobicContact CB-CB 3.93Å; D544-L547 PolarHBondContact O-N 3.18Å; D544-L547 PolarHBondContact OD1-N 3.07Å; L547-C549 PolarHBondContact O-N 3.29Å; L547-K550 PolarHBondContact O-N 3.18Å; L547-L551 HydrophobicContact CD1-CD1 3.9Å; L547-L551 HydrophobicContact CD1-CD2 4.31Å; L547-L551 HydrophobicContact CD1-CG 3.89Å; L547-L551 HydrophobicContact CD2-CD1 4.5Å; L547-L551 HydrophobicContact CG-CD1 3.91Å; L547-L551 HydrophobicContact CG-CG 4.2Å; L547-L551 WeakPolarHBondContact O-CB 3.19Å; L547-L551 WeakPolarHBondContact O-CG 3.19Å; L547-L551 PolarHBondContact O-N 3.29Å
548A97.5Very high94.3Very high0 Ų042.9 Ų42.90%020%0.202CC..Hα-helixtrans-58.8-46.8177.500000112C524 D544 Q552 F594 V597C524-A548 HydrophobicContact CB-CB 3.97Å; D544-A548 WeakPolarHBondContact O-CB 3.04Å; D544-A548 PolarHBondContact O-N 2.91Å; A548-Q552 VanDerWaalsContact O-CB 3.3Å; A548-Q552 WeakPolarHBondContact O-CB 3.42Å; A548-Q552 WeakPolarHBondContact O-CG 3.45Å; A548-Q552 PolarHBondContact O-N 3.15Å; A548-Q552 VanDerWaalsContact O-N 3.11Å; A548-Q552 PolarHBondContact O-NE2 3.21Å; A548-Q552 VanDerWaalsContact O-NE2 3.11Å; A548-F594 HydrophobicContact CB-CD2 3.6Å; A548-F594 HydrophobicContact CB-CE2 3.8Å; A548-F594 HydrophobicContact CB-CG 4.46Å; A548-V597 HydrophobicContact CB-CG2 4.07Å
549C97.1Very high94.3Very high19 Ų1935.6 Ų35.613%0.12818%0.175CC..Hα-helixtrans-58.7-51.6175.9-1780000111.2L545 L547 S553 V597 Y675L545-C549 VanDerWaalsContact O-CB 3.26Å; L545-C549 WeakPolarHBondContact O-CB 3.39Å; L545-C549 PolarHBondContact O-N 3.42Å; L547-C549 PolarHBondContact O-N 3.29Å; C549-S553 WeakPolarHBondContact O-CB 3.48Å; C549-S553 PolarHBondContact O-N 3.45Å; C549-S553 PolarHBondContact O-OG 3.48Å; C549-V597 HydrophobicContact CB-CB 4.01Å; C549-V597 HydrophobicContact CB-CG2 3.88Å; C549-Y675 HydrophobicContact CB-CE1 4.09Å
550K96.6Very high94.4Very high127 Ų12734 Ų3455%0.55217%0.172SC*.Hα-helixtrans-60.3-49.4-178.2-179.5-178.3177.3-177.30112.6D546 L547 S553 Q554D546-K550 WeakPolarHBondContact O-CB 3.21Å; D546-K550 PolarHBondContact O-N 3.04Å; L547-K550 PolarHBondContact O-N 3.18Å; K550-S553 PolarHBondContact O-N 2.93Å; K550-Q554 WeakPolarHBondContact O-CG 3.41Å; K550-Q554 PolarHBondContact O-N 3.28Å; K550-Q554 VanDerWaalsContact O-N 3.11Å
551L97.6Very high94.4Very high5 Ų535 Ų353%0.02618%0.175CC..Hα-helixtrans-69.1-40.1-176.3-65.5-174.5000111.7I459 P461 V464 L547 Q554 I555I459-L551 HydrophobicContact CG2-CB 3.84Å; I459-L551 HydrophobicContact CG2-CD1 3.92Å; P461-L551 HydrophobicContact CG-CD1 4.37Å; V464-L551 HydrophobicContact CB-CD2 4.33Å; V464-L551 HydrophobicContact CG2-CB 4.12Å; V464-L551 HydrophobicContact CG2-CD2 3.92Å; V464-L551 HydrophobicContact CG2-CG 4.43Å; L547-L551 HydrophobicContact CD1-CD1 3.9Å; L547-L551 HydrophobicContact CD1-CD2 4.31Å; L547-L551 HydrophobicContact CD1-CG 3.89Å; L547-L551 HydrophobicContact CD2-CD1 4.5Å; L547-L551 HydrophobicContact CG-CD1 3.91Å; L547-L551 HydrophobicContact CG-CG 4.2Å; L547-L551 WeakPolarHBondContact O-CB 3.19Å; L547-L551 WeakPolarHBondContact O-CG 3.19Å; L547-L551 PolarHBondContact O-N 3.29Å; L551-Q554 PolarHBondContact O-N 3.5Å; L551-I555 WeakPolarHBondContact O-CD1 3.47Å; L551-I555 VanDerWaalsContact O-CG1 3.25Å; L551-I555 WeakPolarHBondContact O-CG1 3.4Å; L551-I555 PolarHBondContact O-N 2.98Å
552Q97.6Very high94.5Very high0 Ų043.4 Ų43.40%021%0.206CC..Hα-helixtrans-60.8-47.3174.5-74.2-178.183.200111.8F514 A548 Q554 I555 F556 F594 S598F514-Q552 HydrophobicContact CZ-CG 4.18Å; A548-Q552 VanDerWaalsContact O-CB 3.3Å; A548-Q552 WeakPolarHBondContact O-CB 3.42Å; A548-Q552 WeakPolarHBondContact O-CG 3.45Å; A548-Q552 PolarHBondContact O-N 3.15Å; A548-Q552 VanDerWaalsContact O-N 3.11Å; A548-Q552 PolarHBondContact O-NE2 3.21Å; A548-Q552 VanDerWaalsContact O-NE2 3.11Å; Q552-Q554 VanDerWaalsContact C-N 3.28Å; Q552-Q554 PolarHBondContact O-N 3.17Å; Q552-I555 PolarHBondContact O-N 3.32Å; Q552-I555 VanDerWaalsContact O-N 3.13Å; Q552-F556 HydrophobicContact CB-CD2 4.46Å; Q552-F556 HydrophobicContact CB-CE2 3.73Å; Q552-F556 HydrophobicContact CB-CZ 4.03Å; Q552-F556 HydrophobicContact CG-CE2 4.48Å; Q552-F556 HydrophobicContact CG-CZ 4.35Å; Q552-F556 WeakPolarHBondContact O-CD2 3.36Å; Q552-F556 VanDerWaalsContact O-CG 3.25Å; Q552-F556 WeakPolarHBondContact O-CG 3.2Å; Q552-F556 PolarHBondContact O-N 3.03Å; Q552-F594 HydrophobicContact CG-CE1 3.8Å; Q552-F594 HydrophobicContact CG-CE2 4.37Å; Q552-F594 HydrophobicContact CG-CZ 3.53Å; Q552-F594 PolarHBondContact NE2-O 2.98Å; Q552-S598 PolarHBondContact OE1-OG 2.82Å
553S95.2Very high94.6Very high27 Ų2744.1 Ų44.119%0.18921%0.208CC..Hα-helixtrans-55.7-44.4177-520000111.4C549 K550 H557 D599C549-S553 WeakPolarHBondContact O-CB 3.48Å; C549-S553 PolarHBondContact O-N 3.45Å; C549-S553 PolarHBondContact O-OG 3.48Å; K550-S553 PolarHBondContact O-N 2.93Å; S553-H557 WeakPolarHBondContact O-CB 3.39Å; S553-H557 PolarHBondContact O-N 3.31Å; S553-H557 VanDerWaalsContact O-N 3.16Å; S553-D599 PolarHBondContact OG-OD2 2.85Å; S553-D599 VanDerWaalsContact OG-OD2 3.05Å
554Q94.9Very high94.6Very high54 Ų5444.2 Ų44.225%0.25221%0.209SC..Hα-helixtrans-65.1-43.4176.9-71-178.215.600112.5V464 K550 L551 Q552 F556 H557 I558V464-Q554 HydrophobicContact CG1-CB 3.75Å; K550-Q554 WeakPolarHBondContact O-CG 3.41Å; K550-Q554 PolarHBondContact O-N 3.28Å; K550-Q554 VanDerWaalsContact O-N 3.11Å; L551-Q554 PolarHBondContact O-N 3.5Å; Q552-Q554 VanDerWaalsContact C-N 3.28Å; Q552-Q554 PolarHBondContact O-N 3.17Å; Q554-F556 PolarHBondContact O-N 3.44Å; Q554-H557 PolarHBondContact O-N 2.77Å; Q554-I558 WeakPolarHBondContact O-CD1 3.31Å; Q554-I558 WeakPolarHBondContact O-CG1 3.46Å; Q554-I558 PolarHBondContact O-N 3.47Å
555I95.3Very high94.7Very high0 Ų047 Ų470%022%0.22CC..Hα-helixtrans-58.5-50.1178.2-73.1163.5000110.6I459 V464 L467 V510 F514 L551 Q552 H557 I558 L559I459-I555 HydrophobicContact CD1-CD1 3.81Å; I459-I555 HydrophobicContact CG1-CD1 4.22Å; I459-I555 HydrophobicContact CG2-CD1 3.78Å; V464-I555 HydrophobicContact CG2-CD1 3.93Å; V464-I555 HydrophobicContact CG2-CG1 3.78Å; L467-I555 HydrophobicContact CD2-CB 4.44Å; L467-I555 HydrophobicContact CD2-CG1 4.22Å; L467-I555 HydrophobicContact CD2-CG2 4.3Å; V510-I555 HydrophobicContact CG1-CD1 4.37Å; V510-I555 HydrophobicContact CG1-CG2 3.62Å; F514-I555 HydrophobicContact CE2-CD1 4.49Å; L551-I555 WeakPolarHBondContact O-CD1 3.47Å; L551-I555 VanDerWaalsContact O-CG1 3.25Å; L551-I555 WeakPolarHBondContact O-CG1 3.4Å; L551-I555 PolarHBondContact O-N 2.98Å; Q552-I555 PolarHBondContact O-N 3.32Å; Q552-I555 VanDerWaalsContact O-N 3.13Å; I555-H557 PolarHBondContact O-N 3.05Å; I555-I558 PolarHBondContact O-N 3.42Å; I555-L559 HydrophobicContact CG2-CD1 3.7Å; I555-L559 HydrophobicContact CG2-CG 4.24Å; I555-L559 WeakPolarHBondContact O-CG 3.45Å; I555-L559 PolarHBondContact O-N 3.21Å
556F94.7Very high94.7Very high12 Ų1249.8 Ų49.85%0.05323%0.229CC..Hα-helixtrans-68.9-26.1-176.3-52.3-36.4000112.8F514 Q552 Q554 L564 L567 S598 D599 L600 P633F514-F556 HydrophobicContact CE1-CE1 4.08Å; F514-F556 AromaticContact CE1-CZ 3.84Å; F514-F556 HydrophobicContact CE1-CZ 3.84Å; F514-F556 HydrophobicContact CE2-CE1 4.33Å; F514-F556 AromaticContact CZ-CE1 3.73Å; F514-F556 HydrophobicContact CZ-CE1 3.73Å; F514-F556 AromaticContact CZ-CZ 3.68Å; F514-F556 HydrophobicContact CZ-CZ 3.68Å; Q552-F556 HydrophobicContact CB-CD2 4.46Å; Q552-F556 HydrophobicContact CB-CE2 3.73Å; Q552-F556 HydrophobicContact CB-CZ 4.03Å; Q552-F556 HydrophobicContact CG-CE2 4.48Å; Q552-F556 HydrophobicContact CG-CZ 4.35Å; Q552-F556 WeakPolarHBondContact O-CD2 3.36Å; Q552-F556 VanDerWaalsContact O-CG 3.25Å; Q552-F556 WeakPolarHBondContact O-CG 3.2Å; Q552-F556 PolarHBondContact O-N 3.03Å; Q554-F556 PolarHBondContact O-N 3.44Å; F556-L564 HydrophobicContact CB-CD1 4.2Å; F556-L564 HydrophobicContact CD1-CD1 3.64Å; F556-L564 HydrophobicContact CE1-CD1 4.45Å; F556-L564 HydrophobicContact CG-CD1 4.2Å; F556-L567 HydrophobicContact CE1-CD2 4.13Å; F556-S598 WeakPolarHBondContact CE2-OG 3.44Å; F556-D599 HydrophobicContact CD2-CB 4.29Å; F556-L600 HydrophobicContact CD1-CD2 4.3Å; F556-L600 HydrophobicContact CD2-CD2 4.14Å; F556-L600 HydrophobicContact CD2-CG 4.25Å; F556-L600 HydrophobicContact CE1-CD1 4.03Å; F556-L600 HydrophobicContact CE1-CD2 4.15Å; F556-L600 HydrophobicContact CE1-CG 4.12Å; F556-L600 HydrophobicContact CE2-CD1 4.22Å; F556-L600 HydrophobicContact CE2-CD2 3.97Å; F556-L600 HydrophobicContact CE2-CG 3.59Å; F556-L600 HydrophobicContact CG-CD2 4.32Å; F556-L600 HydrophobicContact CZ-CD1 3.62Å; F556-L600 HydrophobicContact CZ-CD2 3.98Å; F556-L600 HydrophobicContact CZ-CG 3.52Å; F556-P633 HydrophobicContact CB-CB 4.07Å; F556-P633 HydrophobicContact CB-CG 4.07Å; F556-P633 HydrophobicContact CD2-CG 4.25Å; F556-P633 HydrophobicContact CG-CB 4.46Å; F556-P633 HydrophobicContact CG-CG 4.47Å
557H91.1Very high94.8Very high140 Ų14047.5 Ų47.565%0.64822%0.217SC*.Hα-helixtrans-76.4-33173.3-172.566.1000113.2S553 Q554 I555S553-H557 WeakPolarHBondContact O-CB 3.39Å; S553-H557 PolarHBondContact O-N 3.31Å; S553-H557 VanDerWaalsContact O-N 3.16Å; Q554-H557 PolarHBondContact O-N 2.77Å; I555-H557 PolarHBondContact O-N 3.05Å
558I91.6Very high94.9Very high23 Ų2345 Ų4512%0.11820%0.204CC..Hα-helixtrans-79.3-34.5179.6-64.5160.9000111.4V464 L467 R468 H471 Q554 I555V464-I558 HydrophobicContact CG1-CD1 4.14Å; L467-I558 HydrophobicContact CD2-CB 4.15Å; L467-I558 HydrophobicContact CD2-CD1 4.47Å; L467-I558 HydrophobicContact CD2-CG2 4.07Å; L467-I558 HydrophobicContact CG-CB 4.41Å; L467-I558 HydrophobicContact CG-CG2 3.78Å; R468-I558 HydrophobicContact CB-CD1 3.96Å; R468-I558 HydrophobicContact CG-CD1 4.5Å; H471-I558 HydrophobicContact CB-CG2 3.98Å; H471-I558 PolarHBondContact CD2-O 2.97Å; H471-I558 PolarHBondContact NE2-O 2.89Å; Q554-I558 WeakPolarHBondContact O-CD1 3.31Å; Q554-I558 WeakPolarHBondContact O-CG1 3.46Å; Q554-I558 PolarHBondContact O-N 3.47Å; I555-I558 PolarHBondContact O-N 3.42Å
559L91.9Very high94.9Very high10 Ų1048 Ų485%0.05222%0.22CC..SBendtrans-71.7133-173.4-74.5176.2000113.1L467 V507 V510 I555 D563 L564 L567L467-L559 HydrophobicContact CD1-CD2 4.01Å; L467-L559 HydrophobicContact CD2-CD2 4.28Å; L467-L559 HydrophobicContact CD2-CG 4.33Å; V507-L559 HydrophobicContact CB-CD2 4.41Å; V507-L559 HydrophobicContact CG1-CD2 3.94Å; V507-L559 HydrophobicContact CG2-CD2 3.93Å; V510-L559 HydrophobicContact CG1-CD1 4.49Å; I555-L559 HydrophobicContact CG2-CD1 3.7Å; I555-L559 HydrophobicContact CG2-CG 4.24Å; I555-L559 WeakPolarHBondContact O-CG 3.45Å; I555-L559 PolarHBondContact O-N 3.21Å; L559-D563 HydrophobicContact CD2-CB 4.35Å; L559-L564 HydrophobicContact CB-CB 4.19Å; L559-L564 HydrophobicContact CD1-CD1 4.47Å; L559-L567 HydrophobicContact CD1-CD1 3.58Å
560P90.1Very high94.9Very high47 Ų4750 Ų5031%0.30523%0.226SC..  trans-60.7151.8170.3-23.233.9000111.9H471 R562 D563 L564H471-P560 WeakPolarHBondContact CE1-CD 3.34Å; H471-P560 VanDerWaalsContact CE1-CG 3.46Å; H471-P560 WeakPolarHBondContact CE1-CG 3.28Å; H471-P560 WeakPolarHBondContact NE2-CD 3.2Å; H471-P560 VanDerWaalsContact NE2-CG 3.26Å; H471-P560 WeakPolarHBondContact NE2-CG 3.35Å; P560-R562 VanDerWaalsContact C-N 3.25Å; P560-R562 PolarHBondContact O-N 2.99Å; P560-R562 VanDerWaalsContact O-N 3.07Å; P560-D563 PolarHBondContact O-N 3.16Å; P560-L564 PolarHBondContact O-N 3.33Å
561K91.1Very high95Very high110 Ų11043.9 Ų43.948%0.47820%0.2SC..Hα-helixtrans-43-47.1177.7178.5164.7-169166.50114K565 S636 S637K561-K565 WeakPolarHBondContact O-CB 3.34Å; K561-K565 PolarHBondContact O-N 3.28Å; K561-S636 WeakPolarHBondContact CD-O 3.49Å; K561-S636 WeakPolarHBondContact CE-O 3.49Å; K561-S636 VanDerWaalsContact CG-O 3.26Å; K561-S636 WeakPolarHBondContact CG-O 3.25Å; K561-S637 WeakPolarHBondContact CG-O 3.17Å
562R92.8Very high95Very high195 Ų19544.5 Ų44.574%0.73620%0.203SC*.Hα-helixtrans-63.2-44.4-179.5179.2-177.8175-178.8-2.2112.6P560 R566P560-R562 VanDerWaalsContact C-N 3.25Å; P560-R562 PolarHBondContact O-N 2.99Å; P560-R562 VanDerWaalsContact O-N 3.07Å; R562-R566 PolarHBondContact O-N 3.09Å
563D93.4Very high94.9Very high20 Ų2049.1 Ų49.111%0.10723%0.228CC..Hα-helixtrans-77.2-38.8-175.7-60.8-40.9000110.6V507 L559 P560 K565 R566 L567V507-D563 HydrophobicContact CG1-CB 3.71Å; L559-D563 HydrophobicContact CD2-CB 4.35Å; P560-D563 PolarHBondContact O-N 3.16Å; D563-K565 VanDerWaalsContact C-N 3.32Å; D563-K565 PolarHBondContact O-N 3.42Å; D563-R566 PolarHBondContact O-N 3.33Å; D563-R566 VanDerWaalsContact O-N 3.17Å; D563-R566 IonicContact OD1-CZ 3.3Å; D563-R566 IonicContact OD1-NH1 2.7Å; D563-R566 PolarHBondContact OD1-NH1 2.7Å; D563-R566 IonicContact OD1-NH2 3.81Å; D563-R566 PolarHBondContact OD1-NH2 2.99Å; D563-L567 WeakPolarHBondContact O-CB 3.48Å; D563-L567 PolarHBondContact O-N 2.99Å
564L95.4Very high94.9Very high4 Ų451.1 Ų51.12%0.02124%0.237CC..Hα-helixtrans-59.2-42.5171.2-177.360.5000111.8F556 L559 P560 R566 L567 I568 P633F556-L564 HydrophobicContact CB-CD1 4.2Å; F556-L564 HydrophobicContact CD1-CD1 3.64Å; F556-L564 HydrophobicContact CE1-CD1 4.45Å; F556-L564 HydrophobicContact CG-CD1 4.2Å; L559-L564 HydrophobicContact CB-CB 4.19Å; L559-L564 HydrophobicContact CD1-CD1 4.47Å; P560-L564 PolarHBondContact O-N 3.33Å; L564-R566 VanDerWaalsContact C-N 3.34Å; L564-R566 PolarHBondContact O-N 3.16Å; L564-L567 WeakPolarHBondContact O-CB 3.33Å; L564-L567 PolarHBondContact O-N 3.2Å; L564-I568 HydrophobicContact CD1-CD1 4.27Å; L564-I568 HydrophobicContact CG-CD1 4.07Å; L564-I568 WeakPolarHBondContact O-CG1 3.49Å; L564-I568 PolarHBondContact O-N 3.49Å; L564-P633 HydrophobicContact CD2-CB 3.96Å; L564-P633 WeakPolarHBondContact CD2-O 3.34Å
565K96.7Very high95Very high81 Ų8148.8 Ų48.835%0.35223%0.226SC..Hα-helixtrans-61.6-41.6175-172.9168.4-174.3160.60112K561 D563 I568 N569 G638 F639K561-K565 WeakPolarHBondContact O-CB 3.34Å; K561-K565 PolarHBondContact O-N 3.28Å; D563-K565 VanDerWaalsContact C-N 3.32Å; D563-K565 PolarHBondContact O-N 3.42Å; K565-I568 PolarHBondContact O-N 3Å; K565-N569 PolarHBondContact O-N 3.45Å; K565-N569 PolarHBondContact O-ND2 3.45Å; K565-G638 PolarHBondContact NZ-O 3.06Å; K565-F639 HydrophobicContact CB-CE2 4.47Å; K565-F639 HydrophobicContact CG-CE2 3.83Å; K565-F639 HydrophobicContact CG-CZ 3.83Å
566R96Very high95Very high72 Ų7249 Ų4927%0.27223%0.227SC..Hα-helixtrans-65.6-40.7176.6-173.6168.264.9-126.8-9.3111.7E511 R562 D563 L564 N569 K570E511-R566 IonicContact OE1-CZ 2.71Å; E511-R566 IonicContact OE1-NE 3.45Å; E511-R566 PolarHBondContact OE1-NE 3.5Å; E511-R566 IonicContact OE1-NH2 2.6Å; E511-R566 PolarHBondContact OE1-NH2 3.48Å; E511-R566 IonicContact OE2-CZ 3.95Å; E511-R566 IonicContact OE2-NE 3.62Å; E511-R566 PolarHBondContact OE2-NE 3.05Å; E511-R566 IonicContact OE2-NH2 3.65Å; R562-R566 PolarHBondContact O-N 3.09Å; D563-R566 PolarHBondContact O-N 3.33Å; D563-R566 VanDerWaalsContact O-N 3.17Å; D563-R566 IonicContact OD1-CZ 3.3Å; D563-R566 IonicContact OD1-NH1 2.7Å; D563-R566 PolarHBondContact OD1-NH1 2.7Å; D563-R566 IonicContact OD1-NH2 3.81Å; D563-R566 PolarHBondContact OD1-NH2 2.99Å; L564-R566 VanDerWaalsContact C-N 3.34Å; L564-R566 PolarHBondContact O-N 3.16Å; R566-N569 PolarHBondContact O-N 3.34Å; R566-K570 WeakPolarHBondContact O-CG 3.2Å; R566-K570 PolarHBondContact O-N 2.99Å
567L97.6Very high94.9Very high0 Ų051.8 Ų51.80%025%0.248CC..Hα-helixtrans-58.8-49.6173.6-176.1154.3000111.4V510 E511 F514 F556 L559 D563 L564 N569 K570 L571 L600V510-L567 HydrophobicContact CG1-CD1 3.82Å; E511-L567 HydrophobicContact CG-CB 3.97Å; E511-L567 HydrophobicContact CG-CG 4.48Å; F514-L567 HydrophobicContact CB-CD2 3.94Å; F514-L567 HydrophobicContact CB-CG 3.93Å; F514-L567 HydrophobicContact CD1-CD2 3.88Å; F514-L567 HydrophobicContact CD2-CD1 3.74Å; F514-L567 HydrophobicContact CD2-CD2 4.07Å; F514-L567 HydrophobicContact CD2-CG 4.06Å; F514-L567 HydrophobicContact CE1-CD2 4.38Å; F514-L567 HydrophobicContact CE2-CD1 4.15Å; F514-L567 HydrophobicContact CG-CD1 4.17Å; F514-L567 HydrophobicContact CG-CD2 3.69Å; F514-L567 HydrophobicContact CG-CG 3.97Å; F556-L567 HydrophobicContact CE1-CD2 4.13Å; L559-L567 HydrophobicContact CD1-CD1 3.58Å; D563-L567 WeakPolarHBondContact O-CB 3.48Å; D563-L567 PolarHBondContact O-N 2.99Å; L564-L567 WeakPolarHBondContact O-CB 3.33Å; L564-L567 PolarHBondContact O-N 3.2Å; L567-N569 PolarHBondContact O-N 2.76Å; L567-K570 PolarHBondContact O-N 2.87Å; L567-L571 PolarHBondContact O-N 3.47Å; L567-L600 HydrophobicContact CD2-CD1 4.44Å
568I98.1Very high94.7Very high0 Ų049.3 Ų49.30%024%0.243CC..Hα-helixtrans-62-44.4-179.8-69.2163.9000111.1L564 K565 K570 L571 L572 L600 V634 S637 F639 V645L564-I568 HydrophobicContact CD1-CD1 4.27Å; L564-I568 HydrophobicContact CG-CD1 4.07Å; L564-I568 WeakPolarHBondContact O-CG1 3.49Å; L564-I568 PolarHBondContact O-N 3.49Å; K565-I568 PolarHBondContact O-N 3Å; I568-K570 VanDerWaalsContact C-N 3.34Å; I568-K570 PolarHBondContact O-N 3.43Å; I568-L571 WeakPolarHBondContact O-CB 3.44Å; I568-L571 PolarHBondContact O-N 2.95Å; I568-L572 HydrophobicContact CG2-CD1 3.84Å; I568-L572 HydrophobicContact CG2-CG 4.38Å; I568-L572 WeakPolarHBondContact O-CG 3.31Å; I568-L572 PolarHBondContact O-N 2.97Å; I568-L600 HydrophobicContact CD1-CD2 4.03Å; I568-L600 HydrophobicContact CG1-CD1 4.41Å; I568-L600 HydrophobicContact CG1-CD2 3.99Å; I568-V634 HydrophobicContact CD1-CG2 4.34Å; I568-S637 WeakPolarHBondContact CD1-OG 3.35Å; I568-F639 HydrophobicContact CB-CE2 3.72Å; I568-F639 HydrophobicContact CB-CZ 4.16Å; I568-F639 HydrophobicContact CD1-CD2 4.3Å; I568-F639 HydrophobicContact CD1-CE2 3.91Å; I568-F639 HydrophobicContact CG1-CE2 4.44Å; I568-F639 HydrophobicContact CG2-CD2 4.24Å; I568-F639 HydrophobicContact CG2-CE2 3.43Å; I568-F639 VanDerWaalsContact CG2-CE2 3.43Å; I568-F639 HydrophobicContact CG2-CZ 3.72Å; I568-V645 HydrophobicContact CG2-CG2 3.71Å
569N97.7Very high94.5Very high63 Ų6349 Ų4934%0.33724%0.243SC..Hα-helixtrans-58.4-45.8174.8-76.1-26.2000111.5K565 R566 L567 L571 L572 D573 F639K565-N569 PolarHBondContact O-N 3.45Å; K565-N569 PolarHBondContact O-ND2 3.45Å; R566-N569 PolarHBondContact O-N 3.34Å; L567-N569 PolarHBondContact O-N 2.76Å; N569-L571 VanDerWaalsContact C-N 3.33Å; N569-L571 PolarHBondContact O-N 3.38Å; N569-L572 PolarHBondContact O-N 3.44Å; N569-D573 WeakPolarHBondContact O-CB 3.33Å; N569-D573 PolarHBondContact O-N 2.7Å; N569-F639 WeakPolarHBondContact OD1-CE1 3.2Å; N569-F639 VanDerWaalsContact OD1-CZ 3.26Å; N569-F639 WeakPolarHBondContact OD1-CZ 3.48Å
570K97.3Very high94.1Very high59 Ų5952 Ų5226%0.25725%0.253SS..Hα-helixtrans-61.1-39.7177.3-79.4175.3171.5179.40113E511 R566 L567 I568 N574E511-K570 HydrophobicContact CB-CD 3.86Å; E511-K570 IonicContact OE2-NZ 3.67Å; E511-K570 PolarHBondContact OE2-NZ 2.95Å; R566-K570 WeakPolarHBondContact O-CG 3.2Å; R566-K570 PolarHBondContact O-N 2.99Å; L567-K570 PolarHBondContact O-N 2.87Å; I568-K570 VanDerWaalsContact C-N 3.34Å; I568-K570 PolarHBondContact O-N 3.43Å; K570-N574 VanDerWaalsContact O-CB 3.32Å; K570-N574 WeakPolarHBondContact O-CB 3.31Å; K570-N574 PolarHBondContact O-N 3.37Å; K570-N574 VanDerWaalsContact O-N 3.12Å; K570-N574 PolarHBondContact O-ND2 3.02Å
571L98.2Very high94.1Very high0 Ų054.6 Ų54.60%026%0.264CS..Hα-helixtrans-63.1-46.9175174.466.1000111.4F514 L520 L567 I568 N569 V575 L576 L595 L600 V645F514-L571 HydrophobicContact CB-CB 4.45Å; F514-L571 HydrophobicContact CD1-CD1 4.32Å; F514-L571 HydrophobicContact CD1-CD2 4.34Å; F514-L571 VanDerWaalsContact O-CA 3.31Å; F514-L571 WeakPolarHBondContact O-CA 3.34Å; F514-L571 WeakPolarHBondContact O-CD1 3.45Å; L520-L571 HydrophobicContact CD1-CD1 4.17Å; L567-L571 PolarHBondContact O-N 3.47Å; I568-L571 WeakPolarHBondContact O-CB 3.44Å; I568-L571 PolarHBondContact O-N 2.95Å; N569-L571 VanDerWaalsContact C-N 3.33Å; N569-L571 PolarHBondContact O-N 3.38Å; L571-V575 HydrophobicContact CD1-CB 3.99Å; L571-V575 HydrophobicContact CD1-CG1 4.33Å; L571-V575 HydrophobicContact CD1-CG2 4.19Å; L571-V575 WeakPolarHBondContact O-CB 3.45Å; L571-V575 PolarHBondContact O-N 3.04Å; L571-V575 VanDerWaalsContact O-N 3.09Å; L571-L576 HydrophobicContact CD1-CG 4.47Å; L571-L576 HydrophobicContact CD2-CD1 4.36Å; L571-L576 HydrophobicContact CG-CD1 4.13Å; L571-L576 HydrophobicContact CG-CG 4.35Å; L571-L576 PolarHBondContact O-N 2.94Å; L571-L576 VanDerWaalsContact O-N 3.13Å; L571-L595 HydrophobicContact CD1-CD1 3.99Å; L571-L595 HydrophobicContact CD1-CD2 4.08Å; L571-L595 HydrophobicContact CD2-CD2 4.24Å; L571-L600 HydrophobicContact CD2-CD1 3.62Å; L571-V645 HydrophobicContact CD2-CG1 4.07Å
572L97.7Very high94.1Very high18 Ų1853.7 Ų53.79%0.09427%0.265CS..Iπ-helixtrans-60.4-57.1178.2-71166.7000110.4I568 N569 N574 L576 S577 L644 V645 A648I568-L572 HydrophobicContact CG2-CD1 3.84Å; I568-L572 HydrophobicContact CG2-CG 4.38Å; I568-L572 WeakPolarHBondContact O-CG 3.31Å; I568-L572 PolarHBondContact O-N 2.97Å; N569-L572 PolarHBondContact O-N 3.44Å; L572-N574 PolarHBondContact O-N 3Å; L572-L576 HydrophobicContact CD2-CD1 4.18Å; L572-L576 PolarHBondContact O-N 2.76Å; L572-S577 WeakPolarHBondContact O-CB 3.41Å; L572-S577 PolarHBondContact O-N 3Å; L572-S577 PolarHBondContact O-OG 2.85Å; L572-L644 HydrophobicContact CD1-CD1 4.49Å; L572-L644 HydrophobicContact CD1-CD2 3.53Å; L572-L644 HydrophobicContact CD1-CG 3.77Å; L572-L644 HydrophobicContact CD2-CG 4.4Å; L572-V645 HydrophobicContact CD2-CG2 4.47Å; L572-A648 HydrophobicContact CD2-CB 3.53Å
573D96.3Very high94Very high97 Ų9745.5 Ų45.552%0.51923%0.234SC..Iπ-helixtrans-66.4-37.7-170.9-63.4-22000113.1N569 S577 T578N569-D573 WeakPolarHBondContact O-CB 3.33Å; N569-D573 PolarHBondContact O-N 2.7Å; D573-S577 WeakPolarHBondContact CA-OG 3.47Å; D573-S577 PolarHBondContact O-OG 3.13Å; D573-T578 PolarHBondContact O-OG1 2.63Å
574N95.4Very high93.9Very high69 Ų6946.6 Ų46.637%0.36924%0.242SC..Iπ-helixtrans-102.7-20.7-169.9-60-72.3000114.7S515 K570 L572S515-N574 WeakPolarHBondContact O-CB 3.5Å; K570-N574 VanDerWaalsContact O-CB 3.32Å; K570-N574 WeakPolarHBondContact O-CB 3.31Å; K570-N574 PolarHBondContact O-N 3.37Å; K570-N574 VanDerWaalsContact O-N 3.12Å; K570-N574 PolarHBondContact O-ND2 3.02Å; L572-N574 PolarHBondContact O-N 3Å
575V96.7Very high93.8Very high5 Ų547.2 Ų47.23%0.0325%0.247CC..Iπ-helixtrans-117.6-54.8-175.4-176.20000111.4F514 L517 L520 L571 S579 L595F514-V575 WeakPolarHBondContact O-CG2 3.48Å; L517-V575 HydrophobicContact CB-CG1 4.26Å; L517-V575 HydrophobicContact CD1-CG1 4.01Å; L520-V575 HydrophobicContact CD1-CG1 4.15Å; L520-V575 HydrophobicContact CD1-CG2 4.28Å; L571-V575 HydrophobicContact CD1-CB 3.99Å; L571-V575 HydrophobicContact CD1-CG1 4.33Å; L571-V575 HydrophobicContact CD1-CG2 4.19Å; L571-V575 WeakPolarHBondContact O-CB 3.45Å; L571-V575 PolarHBondContact O-N 3.04Å; L571-V575 VanDerWaalsContact O-N 3.09Å; V575-S579 PolarHBondContact O-N 2.9Å; V575-L595 HydrophobicContact CG1-CD1 4.5Å
576L96Very high93.6Very high3 Ų345.3 Ų45.32%0.01624%0.24CC..Iπ-helixtrans-84-43.5-171-61179.5000113L571 L572 T578 S579 L595 V645 A648 Y649 A652L571-L576 HydrophobicContact CD1-CG 4.47Å; L571-L576 HydrophobicContact CD2-CD1 4.36Å; L571-L576 HydrophobicContact CG-CD1 4.13Å; L571-L576 HydrophobicContact CG-CG 4.35Å; L571-L576 PolarHBondContact O-N 2.94Å; L571-L576 VanDerWaalsContact O-N 3.13Å; L572-L576 HydrophobicContact CD2-CD1 4.18Å; L572-L576 PolarHBondContact O-N 2.76Å; L576-T578 VanDerWaalsContact C-N 3.35Å; L576-S579 WeakPolarHBondContact O-CB 3.31Å; L576-S579 PolarHBondContact O-OG 3.27Å; L576-L595 HydrophobicContact CD2-CD1 4.07Å; L576-V645 HydrophobicContact CD1-CG1 3.87Å; L576-A648 HydrophobicContact CB-CB 3.9Å; L576-A648 HydrophobicContact CD1-CB 3.95Å; L576-Y649 HydrophobicContact CD2-CD2 4.14Å; L576-A652 HydrophobicContact CD2-CB 4.22Å
577S91.3Very high93.5Very high71 Ų7142 Ų4250%0.49723%0.228SC..THydrogen-bonded Turntrans-75.2-27.5177.166.90000112.7L572 D573 S579L572-S577 WeakPolarHBondContact O-CB 3.41Å; L572-S577 PolarHBondContact O-N 3Å; L572-S577 PolarHBondContact O-OG 2.85Å; D573-S577 WeakPolarHBondContact CA-OG 3.47Å; D573-S577 PolarHBondContact O-OG 3.13Å; S577-S579 VanDerWaalsContact C-N 3.33Å
578T87.7Confident93.4Very high88 Ų8842 Ų4254%0.5423%0.228SC..THydrogen-bonded Turntrans-96.114.8178.8-52.80000111.8D573 L576 R580D573-T578 PolarHBondContact O-OG1 2.63Å; L576-T578 VanDerWaalsContact C-N 3.35Å; T578-R580 PolarHBondContact O-N 3.38Å
579S86.5Confident93.3Very high17 Ų1742.1 Ų42.112%0.11923%0.228CC..  trans-56.5135176.6670000111.1V575 L576 S577V575-S579 PolarHBondContact O-N 2.9Å; L576-S579 WeakPolarHBondContact O-CB 3.31Å; L576-S579 PolarHBondContact O-OG 3.27Å; S577-S579 VanDerWaalsContact C-N 3.33Å
580R85.1Confident93.2Very high73 Ų7339.1 Ų39.128%0.27521%0.212SC..  trans-95.6153.3-179.2-61.5-179.2175.9-172.7-2.7111.5L191 S194 T578 N582 Y583L191-R580 VanDerWaalsContact O-CZ 3.26Å; L191-R580 PolarHBondContact O-NH1 3.21Å; L191-R580 PolarHBondContact O-NH2 3.33Å; S194-R580 PolarHBondContact OG-NH2 3.14Å; T578-R580 PolarHBondContact O-N 3.38Å; R580-N582 VanDerWaalsContact CB-O 3.29Å; R580-N582 WeakPolarHBondContact CB-O 3.36Å; R580-N582 PolarHBondContact O-N 3.45Å; R580-Y583 HydrophobicContact CB-CD1 4.45Å; R580-Y583 HydrophobicContact CB-CE1 4.01Å; R580-Y583 HydrophobicContact CG-CE1 4.3Å; R580-Y583 PolarHBondContact N-OH 3.44Å; R580-Y583 VanDerWaalsContact N-OH 3.16Å
581L89.4Confident93.2Very high102 Ų10236.3 Ų36.353%0.53420%0.2SC..SBendtrans-61.8-36.9171.3-56.9175.6000111.1R655 D657L581-R655 HydrophobicContact CD2-CB 4.31Å; L581-R655 WeakPolarHBondContact CD2-O 3.31Å; L581-D657 PolarHBondContact O-N 3.46Å
582N90.5Very high93.1Very high91 Ų9136.4 Ų36.449%0.48720%0.2SC..SBendtrans-140.4151.4-179.5-154.8-10.5000111.5R580R580-N582 VanDerWaalsContact CB-O 3.29Å; R580-N582 WeakPolarHBondContact CB-O 3.36Å; R580-N582 PolarHBondContact O-N 3.45Å
583Y91.9Very high93.1Very high23 Ų2335.5 Ų35.59%0.0920%0.196CC..  trans-121.4152.3-178.6-68.5-77.8000110.7L517 R580 S585 C588 L589 L656L517-Y583 HydrophobicContact CD2-CD1 3.88Å; L517-Y583 HydrophobicContact CD2-CE1 3.25Å; R580-Y583 HydrophobicContact CB-CD1 4.45Å; R580-Y583 HydrophobicContact CB-CE1 4.01Å; R580-Y583 HydrophobicContact CG-CE1 4.3Å; R580-Y583 PolarHBondContact N-OH 3.44Å; R580-Y583 VanDerWaalsContact N-OH 3.16Å; Y583-S585 PolarHBondContact O-N 2.75Å; Y583-C588 HydrophobicContact CD1-CB 3.84Å; Y583-C588 HydrophobicContact CD2-CB 4.5Å; Y583-C588 HydrophobicContact CG-CB 3.74Å; Y583-L589 HydrophobicContact CD2-CD2 3.8Å; Y583-L589 HydrophobicContact CE2-CD2 4.14Å; Y583-L656 HydrophobicContact CD2-CD2 4.32Å; Y583-L656 HydrophobicContact CE2-CD2 3.76Å
584P90.6Very high93.1Very high43 Ų4330.9 Ų30.928%0.27917%0.171SC..SBendtrans-63.9-23.3-178.925.1-36.2000114.2C192 L196 Y218C192-P584 VanDerWaalsContact O-CB 3.31Å; C192-P584 WeakPolarHBondContact O-CB 3.5Å; C192-P584 VanDerWaalsContact O-CG 3.3Å; C192-P584 WeakPolarHBondContact O-CG 3.44Å; L196-P584 HydrophobicContact CD1-CB 4.31Å; L196-P584 HydrophobicContact CD1-CG 4.06Å; L196-P584 HydrophobicContact CD2-CB 4.34Å; L196-P584 HydrophobicContact CD2-CG 3.85Å; L196-P584 HydrophobicContact CG-CB 4.35Å; L196-P584 HydrophobicContact CG-CG 3.66Å; Y218-P584 PolarHBondContact OH-O 3.47Å
585S93Very high93.2Very high17 Ų1727.9 Ų27.912%0.11916%0.155CC..SBendtrans-144153.1176.7-171.70000110.4L196 Y218 Y583 E587 C588L196-S585 VanDerWaalsContact CD2-CB 3.45Å; Y218-S585 VanDerWaalsContact OH-CB 3.29Å; Y218-S585 WeakPolarHBondContact OH-CB 3.49Å; Y583-S585 PolarHBondContact O-N 2.75Å; S585-E587 PolarHBondContact O-N 2.69Å; S585-E587 WeakPolarHBondContact OG-CG 3.47Å; S585-E587 PolarHBondContact OG-N 2.79Å; S585-E587 VanDerWaalsContact OG-N 3.16Å; S585-C588 WeakPolarHBondContact O-CB 3.44Å; S585-C588 PolarHBondContact O-N 3.47Å; S585-C588 PolarHBondContact O-SG 3.41Å
586I93.1Very high93.3Very high40 Ų4027.8 Ų27.821%0.20515%0.154CC..G310 helixtrans-58.8-26.3165.759.6170.2000111.6T536 D537 C588 L589 I663 W667T536-I586 HydrophobicContact CG2-CD1 4.48Å; D537-I586 VanDerWaalsContact C-CD1 3.49Å; D537-I586 WeakPolarHBondContact O-CD1 3.46Å; I586-C588 PolarHBondContact O-N 3.17Å; I586-C588 VanDerWaalsContact O-N 3.12Å; I586-L589 VanDerWaalsContact O-CB 3.28Å; I586-L589 WeakPolarHBondContact O-CB 3.16Å; I586-L589 PolarHBondContact O-N 2.84Å; I586-I663 HydrophobicContact CG2-CD1 3.54Å; I586-W667 WeakPolarHBondContact O-CH2 3.46Å
587E93.9Very high93.3Very high4 Ų427.7 Ų27.72%0.01915%0.154CC..G310 helixtrans-58-28.1177.3-70176.9-127.300113.1P197 T212 S214 S216 S521 T536 S585 L589 R590P197-E587 HydrophobicContact CG-CB 4.28Å; P197-E587 WeakPolarHBondContact CG-OE2 3.46Å; T212-E587 WeakPolarHBondContact CB-OE2 3.43Å; T212-E587 PolarHBondContact OG1-OE1 2.86Å; T212-E587 PolarHBondContact OG1-OE2 3.01Å; S214-E587 WeakPolarHBondContact CB-OE2 3.47Å; S216-E587 WeakPolarHBondContact CB-OE1 3.22Å; S216-E587 PolarHBondContact OG-OE1 3.4Å; S521-E587 WeakPolarHBondContact CB-O 3.4Å; S521-E587 PolarHBondContact OG-O 2.82Å; T536-E587 HydrophobicContact CG2-CG 4.49Å; S585-E587 PolarHBondContact O-N 2.69Å; S585-E587 WeakPolarHBondContact OG-CG 3.47Å; S585-E587 PolarHBondContact OG-N 2.79Å; S585-E587 VanDerWaalsContact OG-N 3.16Å; E587-L589 PolarHBondContact O-N 3.29Å; E587-R590 VanDerWaalsContact O-CB 3.26Å; E587-R590 WeakPolarHBondContact O-CB 3.16Å; E587-R590 WeakPolarHBondContact O-CG 3.06Å; E587-R590 PolarHBondContact O-N 3Å; E587-R590 PolarHBondContact O-NE 2.87Å; E587-R590 IonicContact OE2-NH2 3.33Å; E587-R590 PolarHBondContact OE2-NH2 3.43Å
588C95.5Very high93.6Very high0 Ų024.4 Ų24.40%013%0.131CC..G310 helixtrans-66.4-27.7176.7-57.30000112.3G195 L517 S521 Y583 S585 I586 R590 G591G195-C588 PolarHBondContact O-SG 2.86Å; L517-C588 HydrophobicContact CD2-CB 4.31Å; S521-C588 PolarHBondContact OG-O 3.47Å; S521-C588 VanDerWaalsContact OG-O 3.12Å; Y583-C588 HydrophobicContact CD1-CB 3.84Å; Y583-C588 HydrophobicContact CD2-CB 4.5Å; Y583-C588 HydrophobicContact CG-CB 3.74Å; S585-C588 WeakPolarHBondContact O-CB 3.44Å; S585-C588 PolarHBondContact O-N 3.47Å; S585-C588 PolarHBondContact O-SG 3.41Å; I586-C588 PolarHBondContact O-N 3.17Å; I586-C588 VanDerWaalsContact O-N 3.12Å; C588-R590 PolarHBondContact O-N 3.29Å; C588-G591 PolarHBondContact O-N 3.48Å
589L95.8Very high93.9Very high1 Ų121 Ų211%0.00511%0.11CC..G310 helixtrans-69.9-18.9178.8-58.5178000111.5Y583 I586 E587 G591 L592 M593 L656 P660 I663 W667Y583-L589 HydrophobicContact CD2-CD2 3.8Å; Y583-L589 HydrophobicContact CE2-CD2 4.14Å; I586-L589 VanDerWaalsContact O-CB 3.28Å; I586-L589 WeakPolarHBondContact O-CB 3.16Å; I586-L589 PolarHBondContact O-N 2.84Å; E587-L589 PolarHBondContact O-N 3.29Å; L589-G591 PolarHBondContact O-N 3.04Å; L589-L592 HydrophobicContact CD2-CD1 4.2Å; L589-L592 WeakPolarHBondContact O-CB 3.39Å; L589-L592 PolarHBondContact O-N 3.41Å; L589-M593 PolarHBondContact O-N 3.26Å; L589-M593 VanDerWaalsContact O-N 3.13Å; L589-L656 HydrophobicContact CD2-CD1 4.36Å; L589-L656 HydrophobicContact CD2-CD2 4.35Å; L589-P660 HydrophobicContact CD1-CB 3.91Å; L589-P660 HydrophobicContact CD2-CB 4.16Å; L589-I663 HydrophobicContact CD1-CB 4.42Å; L589-I663 HydrophobicContact CD1-CG2 4.29Å; L589-W667 HydrophobicContact CB-CE3 4.24Å; L589-W667 HydrophobicContact CB-CH2 3.96Å; L589-W667 HydrophobicContact CB-CZ3 3.41Å; L589-W667 VanDerWaalsContact CB-CZ3 3.41Å
590R95.7Very high94.4Very high0 Ų020.3 Ų20.30%010%0.104CC..Hα-helixtrans-57.8-36.7175-69.2-169.6-70.2-166.2-8.2112.4S214 S521 L525 T536 H541 V543 E587 C588 L592 M593 F594 W667S214-R590 PolarHBondContact OG-NH1 3.45Å; S214-R590 PolarHBondContact OG-NH2 2.88Å; S521-R590 PolarHBondContact O-NE 3.37Å; L525-R590 VanDerWaalsContact CD2-NH1 3.33Å; T536-R590 HydrophobicContact CG2-CG 4.45Å; T536-R590 PolarHBondContact OG1-NH1 2.73Å; H541-R590 WeakPolarHBondContact O-CD 3.05Å; H541-R590 WeakPolarHBondContact O-CG 3.44Å; V543-R590 HydrophobicContact CG2-CB 3.65Å; V543-R590 HydrophobicContact CG2-CG 3.79Å; E587-R590 VanDerWaalsContact O-CB 3.26Å; E587-R590 WeakPolarHBondContact O-CB 3.16Å; E587-R590 WeakPolarHBondContact O-CG 3.06Å; E587-R590 PolarHBondContact O-N 3Å; E587-R590 PolarHBondContact O-NE 2.87Å; E587-R590 IonicContact OE2-NH2 3.33Å; E587-R590 PolarHBondContact OE2-NH2 3.43Å; C588-R590 PolarHBondContact O-N 3.29Å; R590-L592 PolarHBondContact O-N 2.87Å; R590-M593 CarbonylContact O-C 3.53Å; R590-M593 PolarHBondContact O-N 2.71Å; R590-M593 VanDerWaalsContact O-N 3.17Å; R590-F594 WeakPolarHBondContact O-CB 3.37Å; R590-F594 PolarHBondContact O-N 3.41Å; R590-W667 HydrophobicContact CG-CH2 4.24Å; R590-W667 HydrophobicContact CG-CZ3 4.38Å
591G96.5Very high95Very high0 Ų017 Ų170%09%0.092CC..Hα-helixtrans-61.7-32.1175.200000113S521 C588 L589 L595S521-G591 PolarHBondContact OG-N 3.08Å; S521-G591 VanDerWaalsContact OG-N 3.16Å; C588-G591 PolarHBondContact O-N 3.48Å; L589-G591 PolarHBondContact O-N 3.04Å; G591-L595 WeakPolarHBondContact O-CG 3.5Å; G591-L595 PolarHBondContact O-N 2.77Å
592L96.8Very high95.3Very high2 Ų213 Ų131%0.017%0.071CC..Hα-helixtrans-72.7-41.8173.5-57.9179.5000111L517 L589 R590 F594 L595 S596 Y649 L656L517-L592 HydrophobicContact CD1-CD2 4.5Å; L589-L592 HydrophobicContact CD2-CD1 4.2Å; L589-L592 WeakPolarHBondContact O-CB 3.39Å; L589-L592 PolarHBondContact O-N 3.41Å; R590-L592 PolarHBondContact O-N 2.87Å; L592-F594 VanDerWaalsContact C-N 3.32Å; L592-F594 PolarHBondContact O-N 2.87Å; L592-L595 PolarHBondContact O-N 3.17Å; L592-L595 VanDerWaalsContact O-N 3.14Å; L592-S596 PolarHBondContact O-N 3.32Å; L592-Y649 HydrophobicContact CB-CE2 4.4Å; L592-Y649 HydrophobicContact CD2-CE2 4.5Å; L592-Y649 PolarHBondContact O-OH 2.78Å; L592-Y649 VanDerWaalsContact O-OH 3.06Å; L592-L656 HydrophobicContact CD1-CD1 4.2Å
593M96.7Very high95.4Very high0 Ų08.7 Ų8.70%05%0.049CC..Hα-helixtrans-61-40.1173.2-68.3-58.6-66.200112.2H541 L545 L589 R590 L595 S596 L664 W667 F668 M671H541-M593 HydrophobicContact CB-CG 4.41Å; L545-M593 HydrophobicContact CD1-CE 4.22Å; L545-M593 HydrophobicContact CD2-CB 4.35Å; L545-M593 WeakPolarHBondContact CD2-O 3.5Å; L589-M593 PolarHBondContact O-N 3.26Å; L589-M593 VanDerWaalsContact O-N 3.13Å; R590-M593 CarbonylContact O-C 3.53Å; R590-M593 PolarHBondContact O-N 2.71Å; R590-M593 VanDerWaalsContact O-N 3.17Å; M593-L595 VanDerWaalsContact C-N 3.29Å; M593-L595 PolarHBondContact O-N 2.96Å; M593-S596 WeakPolarHBondContact O-CB 3.26Å; M593-S596 PolarHBondContact O-N 3.33Å; M593-S596 VanDerWaalsContact O-N 3.16Å; M593-S596 PolarHBondContact O-OG 2.97Å; M593-L664 HydrophobicContact CG-CD1 3.93Å; M593-L664 HydrophobicContact SD-CD1 3.51Å; M593-L664 VanDerWaalsContact SD-CD1 3.51Å; M593-W667 HydrophobicContact CE-CB 4.12Å; M593-W667 HydrophobicContact CG-CE3 3.64Å; M593-W667 HydrophobicContact CG-CZ3 4.14Å; M593-W667 HydrophobicContact SD-CB 4.12Å; M593-W667 HydrophobicContact SD-CE3 4.39Å; M593-F668 HydrophobicContact SD-CD1 4.46Å; M593-F668 HydrophobicContact SD-CE1 4.34Å; M593-F668 HydrophobicContact SD-CZ 4.5Å; M593-M671 HydrophobicContact CE-CE 3.66Å
594F97.5Very high95.1Very high0 Ų07.8 Ų7.80%05%0.045CC..Hα-helixtrans-57.6-41.8173.4175.2-88000111.8I459 F514 L520 C524 A548 Q552 R590 L592I459-F594 HydrophobicContact CB-CE2 4.43Å; I459-F594 HydrophobicContact CB-CZ 4.22Å; I459-F594 HydrophobicContact CG1-CZ 4.07Å; F514-F594 HydrophobicContact CE1-CE1 4.31Å; F514-F594 HydrophobicContact CZ-CE1 4.29Å; L520-F594 HydrophobicContact CD2-CD1 3.77Å; L520-F594 HydrophobicContact CD2-CE1 3.64Å; C524-F594 HydrophobicContact CB-CD2 4.27Å; C524-F594 HydrophobicContact CB-CE2 4.22Å; A548-F594 HydrophobicContact CB-CD2 3.6Å; A548-F594 HydrophobicContact CB-CE2 3.8Å; A548-F594 HydrophobicContact CB-CG 4.46Å; Q552-F594 HydrophobicContact CG-CE1 3.8Å; Q552-F594 HydrophobicContact CG-CE2 4.37Å; Q552-F594 HydrophobicContact CG-CZ 3.53Å; Q552-F594 PolarHBondContact NE2-O 2.98Å; R590-F594 WeakPolarHBondContact O-CB 3.37Å; R590-F594 PolarHBondContact O-N 3.41Å; L592-F594 VanDerWaalsContact C-N 3.32Å; L592-F594 PolarHBondContact O-N 2.87Å
595L98Very high94.4Very high5 Ų514.8 Ų14.83%0.0267%0.066CC..Hα-helixtrans-73.9-25.6177.7-67.7172.7000113.2F514 L520 L571 V575 L576 G591 L592 M593 V597 S598 L601 Y649F514-L595 HydrophobicContact CE1-CD2 4.35Å; L520-L595 HydrophobicContact CD1-CD1 4.08Å; L520-L595 HydrophobicContact CD1-CD2 4.33Å; L520-L595 HydrophobicContact CD1-CG 4.27Å; L571-L595 HydrophobicContact CD1-CD1 3.99Å; L571-L595 HydrophobicContact CD1-CD2 4.08Å; L571-L595 HydrophobicContact CD2-CD2 4.24Å; V575-L595 HydrophobicContact CG1-CD1 4.5Å; L576-L595 HydrophobicContact CD2-CD1 4.07Å; G591-L595 WeakPolarHBondContact O-CG 3.5Å; G591-L595 PolarHBondContact O-N 2.77Å; L592-L595 PolarHBondContact O-N 3.17Å; L592-L595 VanDerWaalsContact O-N 3.14Å; M593-L595 VanDerWaalsContact C-N 3.29Å; M593-L595 PolarHBondContact O-N 2.96Å; L595-V597 PolarHBondContact O-N 3.41Å; L595-S598 WeakPolarHBondContact O-CB 3.46Å; L595-S598 PolarHBondContact O-N 3.12Å; L595-L601 WeakPolarHBondContact O-CD1 3.32Å; L595-Y649 HydrophobicContact CB-CD2 4.2Å; L595-Y649 HydrophobicContact CB-CE2 3.85Å
596S97.6Very high93.3Very high3 Ų321.6 Ų21.62%0.0219%0.094CC..Hα-helixtrans-57.7-24.8-176.376.70000114.7L592 M593 Y649 M671 L679L592-S596 PolarHBondContact O-N 3.32Å; M593-S596 WeakPolarHBondContact O-CB 3.26Å; M593-S596 PolarHBondContact O-N 3.33Å; M593-S596 VanDerWaalsContact O-N 3.16Å; M593-S596 PolarHBondContact O-OG 2.97Å; S596-Y649 WeakPolarHBondContact CA-OH 3.44Å; S596-Y649 WeakPolarHBondContact CB-OH 3.33Å; S596-M671 WeakPolarHBondContact OG-CE 3.37Å; S596-L679 WeakPolarHBondContact O-CD2 3.48Å
597V97Very high92.1Very high2 Ų222.2 Ų22.21%0.01210%0.1CC..THydrogen-bonded Turntrans-101.80.9178.8-61.80000113.4L545 A548 C549 L595 Y675 K678L545-V597 HydrophobicContact CB-CG1 4.13Å; L545-V597 HydrophobicContact CD2-CG1 4.35Å; A548-V597 HydrophobicContact CB-CG2 4.07Å; C549-V597 HydrophobicContact CB-CB 4.01Å; C549-V597 HydrophobicContact CB-CG2 3.88Å; L595-V597 PolarHBondContact O-N 3.41Å; V597-Y675 HydrophobicContact CB-CD1 4.03Å; V597-Y675 HydrophobicContact CB-CE1 4.11Å; V597-Y675 HydrophobicContact CB-CG 4.47Å; V597-Y675 HydrophobicContact CG1-CD1 3.59Å; V597-Y675 HydrophobicContact CG1-CD2 3.82Å; V597-Y675 HydrophobicContact CG1-CE1 3.93Å; V597-Y675 HydrophobicContact CG1-CE2 4.14Å; V597-Y675 HydrophobicContact CG1-CG 3.55Å; V597-K678 PolarHBondContact O-NZ 2.88Å
598S96.6Very high90.6Very high2 Ų225.6 Ų25.61%0.01412%0.118CC..  trans-68.1140.6-173-164.50000113Q552 F556 L595 L600 L601Q552-S598 PolarHBondContact OE1-OG 2.82Å; F556-S598 WeakPolarHBondContact CE2-OG 3.44Å; L595-S598 WeakPolarHBondContact O-CB 3.46Å; L595-S598 PolarHBondContact O-N 3.12Å; S598-L600 PolarHBondContact O-N 3.04Å; S598-L600 PolarHBondContact OG-N 3.48Å; S598-L601 WeakPolarHBondContact O-CB 3.28Å; S598-L601 PolarHBondContact O-N 3.45Å; S598-L601 VanDerWaalsContact O-N 3.15Å
599D95.4Very high88.5Confident17 Ų1733 Ų339%0.09115%0.154CC..G310 helixtrans-69-14171.3-74.1-24.2000113.4S553 F556 L601 N602 P633 K678S553-D599 PolarHBondContact OG-OD2 2.85Å; S553-D599 VanDerWaalsContact OG-OD2 3.05Å; F556-D599 HydrophobicContact CD2-CB 4.29Å; D599-L601 PolarHBondContact O-N 2.8Å; D599-N602 VanDerWaalsContact O-CB 3.28Å; D599-N602 WeakPolarHBondContact O-CB 3.45Å; D599-N602 PolarHBondContact O-N 3.3Å; D599-N602 PolarHBondContact OD1-ND2 3.05Å; D599-P633 HydrophobicContact CB-CG 3.99Å; D599-P633 WeakPolarHBondContact O-CD 3.39Å; D599-K678 IonicContact OD1-NZ 3.41Å; D599-K678 PolarHBondContact OD1-NZ 2.98Å
600L96.7Very high86.3Confident1 Ų139.5 Ų39.51%0.00519%0.189CC..G310 helixtrans-63.1-18.8170.1-59.8-178.2000112.6F514 F556 L567 I568 L571 S598 N602 P633 V634 V645F514-L600 HydrophobicContact CE1-CD1 4.49Å; F556-L600 HydrophobicContact CD1-CD2 4.3Å; F556-L600 HydrophobicContact CD2-CD2 4.14Å; F556-L600 HydrophobicContact CD2-CG 4.25Å; F556-L600 HydrophobicContact CE1-CD1 4.03Å; F556-L600 HydrophobicContact CE1-CD2 4.15Å; F556-L600 HydrophobicContact CE1-CG 4.12Å; F556-L600 HydrophobicContact CE2-CD1 4.22Å; F556-L600 HydrophobicContact CE2-CD2 3.97Å; F556-L600 HydrophobicContact CE2-CG 3.59Å; F556-L600 HydrophobicContact CG-CD2 4.32Å; F556-L600 HydrophobicContact CZ-CD1 3.62Å; F556-L600 HydrophobicContact CZ-CD2 3.98Å; F556-L600 HydrophobicContact CZ-CG 3.52Å; L567-L600 HydrophobicContact CD2-CD1 4.44Å; I568-L600 HydrophobicContact CD1-CD2 4.03Å; I568-L600 HydrophobicContact CG1-CD1 4.41Å; I568-L600 HydrophobicContact CG1-CD2 3.99Å; L571-L600 HydrophobicContact CD2-CD1 3.62Å; S598-L600 PolarHBondContact O-N 3.04Å; S598-L600 PolarHBondContact OG-N 3.48Å; L600-N602 VanDerWaalsContact C-N 3.35Å; L600-P633 HydrophobicContact CD2-CB 3.98Å; L600-V634 HydrophobicContact CD2-CG2 4.39Å; L600-V634 WeakPolarHBondContact O-CG2 3.27Å; L600-V645 HydrophobicContact CB-CB 4.32Å; L600-V645 HydrophobicContact CB-CG1 3.95Å; L600-V645 HydrophobicContact CB-CG2 4.44Å
601L97Very high83.9Confident3 Ų347 Ų472%0.01622%0.224CC..G310 helixtrans-88.1-1.9176.5-56-174.8000112.9L595 S598 D599 V645 L646 Y649 L679 N682L595-L601 WeakPolarHBondContact O-CD1 3.32Å; S598-L601 WeakPolarHBondContact O-CB 3.28Å; S598-L601 PolarHBondContact O-N 3.45Å; S598-L601 VanDerWaalsContact O-N 3.15Å; D599-L601 PolarHBondContact O-N 2.8Å; L601-V645 HydrophobicContact CD2-CG1 4.04Å; L601-L646 HydrophobicContact CB-CD1 4.19Å; L601-L646 HydrophobicContact CD2-CB 4.34Å; L601-L646 HydrophobicContact CD2-CD1 4.23Å; L601-Y649 HydrophobicContact CD1-CD1 3.93Å; L601-Y649 HydrophobicContact CD1-CE1 3.98Å; L601-Y649 HydrophobicContact CD1-CG 4.34Å; L601-Y649 HydrophobicContact CD2-CD1 4.17Å; L601-Y649 HydrophobicContact CD2-CG 4Å; L601-L679 HydrophobicContact CD1-CD2 3.75Å; L601-N682 WeakPolarHBondContact O-CB 3.32Å; L601-N682 VanDerWaalsContact O-CG 3.31Å; L601-N682 PolarHBondContact O-ND2 3.17Å
602N95.2Very high81.5Confident19 Ų1949.6 Ų49.610%0.10225%0.245CC..  trans-71.1135.4-177-69.5-15.6000112.2D599 L600 P631 Y632 K678 N682D599-N602 VanDerWaalsContact O-CB 3.28Å; D599-N602 WeakPolarHBondContact O-CB 3.45Å; D599-N602 PolarHBondContact O-N 3.3Å; D599-N602 PolarHBondContact OD1-ND2 3.05Å; L600-N602 VanDerWaalsContact C-N 3.35Å; N602-P631 WeakPolarHBondContact CB-O 3.31Å; N602-P631 PolarHBondContact ND2-O 3.3Å; N602-Y632 HydrophobicContact CB-CD1 3.87Å; N602-Y632 HydrophobicContact CB-CE1 4.17Å; N602-K678 WeakPolarHBondContact OD1-CE 3.31Å; N602-N682 WeakPolarHBondContact CA-OD1 3.11Å; N602-N682 PolarHBondContact OD1-ND2 2.95Å
603M92.1Very high79.1Confident1 Ų152.5 Ų52.51%0.00526%0.263CS..  trans-123132.2179.3-85.2-62.8-64.200112.1P642 G643 L646 N682 N685 L686 Y689M603-P642 HydrophobicContact CE-CB 4.34Å; M603-P642 HydrophobicContact CE-CG 3.89Å; M603-P642 VanDerWaalsContact SD-C 3.52Å; M603-P642 HydrophobicContact SD-CB 3.73Å; M603-P642 HydrophobicContact SD-CG 3.94Å; M603-G643 WeakPolarHBondContact SD-CA 3.34Å; M603-G643 PolarHBondContact SD-N 3.47Å; M603-L646 HydrophobicContact CG-CD2 3.67Å; M603-N682 HydrophobicContact CB-CB 4.34Å; M603-N682 WeakPolarHBondContact CB-O 3.38Å; M603-N682 PolarHBondContact N-OD1 3.44Å; M603-N685 HydrophobicContact CB-CB 3.59Å; M603-N685 PolarHBondContact O-ND2 3.48Å; M603-L686 HydrophobicContact CE-CB 4.27Å; M603-L686 HydrophobicContact CE-CD1 3.97Å; M603-L686 HydrophobicContact CG-CB 4.14Å; M603-L686 HydrophobicContact SD-CD1 4.25Å; M603-Y689 HydrophobicContact CE-CD1 4.27Å; M603-Y689 HydrophobicContact CE-CD2 4.22Å; M603-Y689 HydrophobicContact CE-CG 3.8Å
604P87.2Confident76.4Confident4 Ų455.3 Ų55.33%0.02628%0.283CS..  trans-69.8146.2173.130.6-34.7000111.2K606 I608 Y632 L635 P642P604-K606 VanDerWaalsContact C-N 3.32Å; P604-K606 PolarHBondContact O-N 2.94Å; P604-I608 HydrophobicContact CB-CD1 4.29Å; P604-I608 HydrophobicContact CB-CG1 4.33Å; P604-Y632 WeakPolarHBondContact CA-OH 3.45Å; P604-Y632 HydrophobicContact CB-CD2 4.4Å; P604-Y632 HydrophobicContact CB-CE1 4.1Å; P604-Y632 HydrophobicContact CB-CE2 3.88Å; P604-Y632 VanDerWaalsContact N-CE1 3.34Å; P604-L635 HydrophobicContact CG-CD1 4.37Å; P604-P642 HydrophobicContact CG-CB 4.2Å; P604-P642 HydrophobicContact CG-CG 4.08Å
605R74.3Confident73.6Confident189 Ų18961 Ų6171%0.71331%0.313SS*.SBendtrans-67.4-28.9179.8-75.6-177.5176.9147.1-0.7113.9
606K71.4Confident71.1Confident161 Ų16164.3 Ų64.370%0.733%0.334SS*.SBendtrans-135.6154.2178.6-71-173177.3-176.30109.5P604 I608P604-K606 VanDerWaalsContact C-N 3.32Å; P604-K606 PolarHBondContact O-N 2.94Å; K606-I608 PolarHBondContact O-N 3.24Å
607P66.4Low68.2Low53 Ų5369.2 Ų69.234%0.34436%0.359SS..  trans-55.2122.6168.4-20.831.7000110.3M609 Y689 D692P607-M609 PolarHBondContact O-N 3.43Å; P607-Y689 HydrophobicContact CB-CD2 4.42Å; P607-Y689 HydrophobicContact CB-CE2 4.03Å; P607-Y689 HydrophobicContact CG-CD2 4.13Å; P607-Y689 HydrophobicContact CG-CE2 4.19Å; P607-D692 HydrophobicContact CG-CB 3.89Å
608I63.9Low65Low75 Ų7575.3 Ų75.339%0.38539%0.392SS..  trans-74.8113.1174.3-56.5177.1000105.8P604 K606 A612 V613 Y632 L635P604-I608 HydrophobicContact CB-CD1 4.29Å; P604-I608 HydrophobicContact CB-CG1 4.33Å; K606-I608 PolarHBondContact O-N 3.24Å; I608-A612 HydrophobicContact CG2-CB 3.88Å; I608-V613 HydrophobicContact CG2-CG2 4.17Å; I608-Y632 HydrophobicContact CD1-CD2 4.29Å; I608-Y632 HydrophobicContact CD1-CE2 4.48Å; I608-L635 HydrophobicContact CD1-CD1 3.83Å
609M50.8Low62Low154 Ų15480.1 Ų80.176%0.75942%0.416SS*.  trans-67.2142.2175.9-57.7-137.191.800109.6P607 E611 A612P607-M609 PolarHBondContact O-N 3.43Å; M609-E611 PolarHBondContact O-N 2.95Å; M609-A612 PolarHBondContact O-N 2.94Å
610D48.9Very low58.8Low138 Ų13885.8 Ų85.874%0.73845%0.447SS*.THydrogen-bonded Turntrans-53.4-25.1-172.3-84.3-33.4000114.3A612 V613 S614D610-A612 PolarHBondContact O-N 3.24Å; D610-V613 WeakPolarHBondContact O-CA 3.34Å; D610-V613 WeakPolarHBondContact O-CB 3.11Å; D610-V613 PolarHBondContact O-N 3.48Å; D610-S614 PolarHBondContact O-N 3.35Å; D610-S614 VanDerWaalsContact O-N 3.09Å; D610-S614 PolarHBondContact O-OG 3.49Å
611E46.2Very low56.1Low158 Ų15894.1 Ų94.174%0.73849%0.489SS*.Hα-helixtrans-59.5-33.8176.5-67.2-176.6171.600112.6M609 V613 S614 D615M609-E611 PolarHBondContact O-N 2.95Å; E611-V613 VanDerWaalsContact C-N 3.32Å; E611-V613 PolarHBondContact O-N 2.94Å; E611-S614 WeakPolarHBondContact CA-OG 3.18Å; E611-S614 PolarHBondContact O-OG 3.07Å; E611-D615 PolarHBondContact O-N 3.21Å
612A46.2Very low53Low54 Ų54100.2 Ų100.245%0.44653%0.527SS..Hα-helixtrans-76.8-18.1174.800000113.1I608 M609 D610 V616I608-A612 HydrophobicContact CG2-CB 3.88Å; M609-A612 PolarHBondContact O-N 2.94Å; D610-A612 PolarHBondContact O-N 3.24Å; A612-V616 WeakPolarHBondContact O-CG2 3.3Å
613V46.1Very low50Low64 Ų64103.5 Ų103.539%0.38855%0.552SS.*Hα-helixtrans-85.1-31.1176.9-174.50000110.6I608 D610 E611 N617I608-V613 HydrophobicContact CG2-CG2 4.17Å; D610-V613 WeakPolarHBondContact O-CA 3.34Å; D610-V613 WeakPolarHBondContact O-CB 3.11Å; D610-V613 PolarHBondContact O-N 3.48Å; E611-V613 VanDerWaalsContact C-N 3.32Å; E611-V613 PolarHBondContact O-N 2.94Å; V613-N617 PolarHBondContact O-N 3.03Å; V613-N617 PolarHBondContact O-ND2 2.87Å
614S40.9Very low47.2Very low58 Ų58112 Ų11241%0.40659%0.591SS.*Hα-helixtrans-70-38.4173.340.40000113.1D610 E611 V616 N617 N618D610-S614 PolarHBondContact O-N 3.35Å; D610-S614 VanDerWaalsContact O-N 3.09Å; D610-S614 PolarHBondContact O-OG 3.49Å; E611-S614 WeakPolarHBondContact CA-OG 3.18Å; E611-S614 PolarHBondContact O-OG 3.07Å; S614-V616 VanDerWaalsContact C-N 3.26Å; S614-V616 PolarHBondContact O-N 2.79Å; S614-N617 PolarHBondContact O-N 3.36Å; S614-N618 PolarHBondContact O-N 3.18Å
615D38.2Very low44.6Very low120 Ų120120.8 Ų120.864%0.64263%0.629SS**Hα-helixtrans-70.8-23.4177.9-77.2-13.1000112.8E611E611-D615 PolarHBondContact O-N 3.21Å
616V44.2Very low42.6Very low75 Ų75118.5 Ų118.546%0.45563%0.631SS.*Hα-helixtrans-80.3-27.4175174.40000112.1A612 S614A612-V616 WeakPolarHBondContact O-CG2 3.3Å; S614-V616 VanDerWaalsContact C-N 3.26Å; S614-V616 PolarHBondContact O-N 2.79Å
617N36.9Very low40.9Very low105 Ų105117.1 Ų117.156%0.56164%0.636SS**Hα-helixtrans-83.6-12.1179-73.3-48.2000114.1V613 S614V613-N617 PolarHBondContact O-N 3.03Å; V613-N617 PolarHBondContact O-ND2 2.87Å; S614-N617 PolarHBondContact O-N 3.36Å
618N30.3Very low39.8Very low131 Ų131120 Ų12070%0.70165%0.649SS**THydrogen-bonded Turntrans-108.615.6-175.9-80.1-14.6000114.6S614 D620S614-N618 PolarHBondContact O-N 3.18Å; N618-D620 PolarHBondContact O-N 3.21Å
619I33.2Very low39.1Very low102 Ų102123.4 Ų123.452%0.52366%0.661SS.*  trans-78.6105.3173.1-57.2179.8000109
620D29.3Very low39.7Very low136 Ų136121.1 Ų121.173%0.72765%0.648SS**  trans-48.2139.2172.6-84-43000112.7N618 T622N618-D620 PolarHBondContact O-N 3.21Å; D620-T622 PolarHBondContact O-N 2.88Å
621I39.3Very low41Very low176 Ų176116.9 Ų116.990%0.90363%0.628SS**THydrogen-bonded Turntrans-67.216.8-169.1-65.4169.5000114.1
622T32.8Very low43.2Very low132 Ų132112.1 Ų112.181%0.8160%0.604SS**THydrogen-bonded Turntrans-126.115.5-171.9590000116.8D620D620-T622 PolarHBondContact O-N 2.88Å
623S32.2Very low45.4Very low88 Ų88110.1 Ų110.162%0.61559%0.586SS**  trans-109.799.416981.60000112.7
624E32Very low47.7Very low180 Ų180107.1 Ų107.184%0.84157%0.568SS**  trans-57.6140.5158.3-64.5179.7157.700109.9
625K33.5Very low50.1Low188 Ų188106.5 Ų106.582%0.81756%0.56SS**SBendtrans81.363.4172.8-52.5176.5179.61740117.2
626N31.6Very low52.5Low140 Ų140101.8 Ų101.875%0.74954%0.537SS*.  trans-156.396.4131.1-98.6-17.9000106.7N628N626-N628 PolarHBondContact O-N 3.2Å
627T35.9Very low54.8Low132 Ų13298.3 Ų98.381%0.8152%0.516SS*.  trans-68.280.7168.350.10000107.4F629T627-F629 PolarHBondContact O-N 3.21Å
628N43.1Very low57.3Low115 Ų11594.7 Ų94.762%0.61550%0.503SS*.  trans-60.996.5165.3-81.1-14000105.8N626 E630N626-N628 PolarHBondContact O-N 3.2Å; N628-E630 VanDerWaalsContact C-N 3.33Å; N628-E630 PolarHBondContact O-N 3.07Å
629F50.5Low60.2Low145 Ų14589.9 Ų89.964%0.63648%0.476SS*.  trans-65.597.5176.8-159-84.5000106.2T627 P631T627-F629 PolarHBondContact O-N 3.21Å; F629-P631 WeakPolarHBondContact O-CD 3.42Å; F629-P631 VanDerWaalsContact O-N 3.15Å
630E62.6Low62.7Low106 Ų10690 Ų9050%0.49549%0.486SS..  trans-74.7101-179.1-152.6-179.7-164.600107.8N628 Y632 S636N628-E630 VanDerWaalsContact C-N 3.33Å; N628-E630 PolarHBondContact O-N 3.07Å; E630-Y632 PolarHBondContact O-N 3.12Å; E630-S636 WeakPolarHBondContact CG-OG 3.36Å; E630-S636 PolarHBondContact OE1-OG 3.41Å; E630-S636 WeakPolarHBondContact OE2-CB 3.35Å; E630-S636 PolarHBondContact OE2-OG 2.7Å
631P77.1Confident65.5Low49 Ų4986.5 Ų86.532%0.31847%0.47SS..  trans-85.15.5-162.530.5-22.7000112.7N602 F629 P633N602-P631 WeakPolarHBondContact CB-O 3.31Å; N602-P631 PolarHBondContact ND2-O 3.3Å; F629-P631 WeakPolarHBondContact O-CD 3.42Å; F629-P631 VanDerWaalsContact O-N 3.15Å; P631-P633 WeakPolarHBondContact O-CD 3.48Å
632Y91.4Very high67.8Low59 Ų5978.2 Ų78.223%0.23143%0.427CS..  trans-126.871.9-172.4-53.3-61.4000112N602 P604 I608 E630 V634 L635 S636N602-Y632 HydrophobicContact CB-CD1 3.87Å; N602-Y632 HydrophobicContact CB-CE1 4.17Å; P604-Y632 WeakPolarHBondContact CA-OH 3.45Å; P604-Y632 HydrophobicContact CB-CD2 4.4Å; P604-Y632 HydrophobicContact CB-CE1 4.1Å; P604-Y632 HydrophobicContact CB-CE2 3.88Å; P604-Y632 VanDerWaalsContact N-CE1 3.34Å; I608-Y632 HydrophobicContact CD1-CD2 4.29Å; I608-Y632 HydrophobicContact CD1-CE2 4.48Å; E630-Y632 PolarHBondContact O-N 3.12Å; Y632-V634 PolarHBondContact O-N 3.1Å; Y632-L635 PolarHBondContact O-N 2.98Å; Y632-S636 PolarHBondContact O-N 3.42Å; Y632-S636 VanDerWaalsContact O-N 3.13Å; Y632-S636 PolarHBondContact O-OG 2.64Å
633P92.5Very high70.6Confident11 Ų1172 Ų727%0.07139%0.39CS..Hα-helixtrans-56.7-28.5-174-22.730.9000114.5F556 L564 D599 L600 P631 S636 S637F556-P633 HydrophobicContact CB-CB 4.07Å; F556-P633 HydrophobicContact CB-CG 4.07Å; F556-P633 HydrophobicContact CD2-CG 4.25Å; F556-P633 HydrophobicContact CG-CB 4.46Å; F556-P633 HydrophobicContact CG-CG 4.47Å; L564-P633 HydrophobicContact CD2-CB 3.96Å; L564-P633 WeakPolarHBondContact CD2-O 3.34Å; D599-P633 HydrophobicContact CB-CG 3.99Å; D599-P633 WeakPolarHBondContact O-CD 3.39Å; L600-P633 HydrophobicContact CD2-CB 3.98Å; P631-P633 WeakPolarHBondContact O-CD 3.48Å; P633-S636 PolarHBondContact O-N 2.83Å; P633-S637 VanDerWaalsContact O-CB 3.3Å; P633-S637 WeakPolarHBondContact O-CB 3.26Å; P633-S637 PolarHBondContact O-N 2.75Å; P633-S637 PolarHBondContact O-OG 2.93Å
634V94.3Very high73.6Confident2 Ų270.6 Ų70.61%0.01238%0.375CS..Hα-helixtrans-62.5-44176.3179.30000111.2I568 L600 Y632 S637 F639 V645I568-V634 HydrophobicContact CD1-CG2 4.34Å; L600-V634 HydrophobicContact CD2-CG2 4.39Å; L600-V634 WeakPolarHBondContact O-CG2 3.27Å; Y632-V634 PolarHBondContact O-N 3.1Å; V634-S637 PolarHBondContact O-OG 2.89Å; V634-F639 HydrophobicContact CG1-CB 3.88Å; V634-F639 HydrophobicContact CG1-CD2 3.97Å; V634-F639 HydrophobicContact CG1-CG 4.22Å; V634-F639 PolarHBondContact O-N 3.4Å; V634-V645 HydrophobicContact CG2-CB 4.44Å; V634-V645 HydrophobicContact CG2-CG2 3.85Å
635L91.4Very high76.7Confident44 Ų4462.2 Ų62.223%0.2334%0.336CS..Hα-helixtrans-70.1-45.8175.4-68178.5000111.3P604 I608 Y632 S637 G638 F639 P642P604-L635 HydrophobicContact CG-CD1 4.37Å; I608-L635 HydrophobicContact CD1-CD1 3.83Å; Y632-L635 PolarHBondContact O-N 2.98Å; L635-S637 PolarHBondContact O-N 3.31Å; L635-G638 WeakPolarHBondContact O-CA 3.49Å; L635-G638 PolarHBondContact O-N 3.06Å; L635-F639 WeakPolarHBondContact CD2-O 3.48Å; L635-P642 HydrophobicContact CD1-CB 3.98Å; L635-P642 HydrophobicContact CD2-CB 3.77Å; L635-P642 HydrophobicContact CD2-CG 4.15Å; L635-P642 HydrophobicContact CG-CB 3.76Å
636S88.6Confident79.7Confident22 Ų2253.3 Ų53.315%0.15430%0.297CS..Hα-helixtrans-53.3-39.5176.9-520000111.9K561 E630 Y632 P633 G638K561-S636 WeakPolarHBondContact CD-O 3.49Å; K561-S636 WeakPolarHBondContact CE-O 3.49Å; K561-S636 VanDerWaalsContact CG-O 3.26Å; K561-S636 WeakPolarHBondContact CG-O 3.25Å; E630-S636 WeakPolarHBondContact CG-OG 3.36Å; E630-S636 PolarHBondContact OE1-OG 3.41Å; E630-S636 WeakPolarHBondContact OE2-CB 3.35Å; E630-S636 PolarHBondContact OE2-OG 2.7Å; Y632-S636 PolarHBondContact O-N 3.42Å; Y632-S636 VanDerWaalsContact O-N 3.13Å; Y632-S636 PolarHBondContact O-OG 2.64Å; P633-S636 PolarHBondContact O-N 2.83Å; S636-G638 PolarHBondContact O-N 2.87Å
637S91.4Very high82.8Confident1 Ų148.4 Ų48.41%0.00727%0.271CS..THydrogen-bonded Turntrans-69.5-15177.879.30000114K561 I568 P633 V634 L635 F639K561-S637 WeakPolarHBondContact CG-O 3.17Å; I568-S637 WeakPolarHBondContact CD1-OG 3.35Å; P633-S637 VanDerWaalsContact O-CB 3.3Å; P633-S637 WeakPolarHBondContact O-CB 3.26Å; P633-S637 PolarHBondContact O-N 2.75Å; P633-S637 PolarHBondContact O-OG 2.93Å; V634-S637 PolarHBondContact O-OG 2.89Å; L635-S637 PolarHBondContact O-N 3.31Å; S637-F639 WeakPolarHBondContact OG-CD2 3.41Å; S637-F639 WeakPolarHBondContact OG-CE2 3.43Å
638G90Very high85.7Confident29 Ų2943 Ų4330%0.29924%0.24SC..THydrogen-bonded Turntrans92.232.7178.400000114.7K565 L635 S636K565-G638 PolarHBondContact NZ-O 3.06Å; L635-G638 WeakPolarHBondContact O-CA 3.49Å; L635-G638 PolarHBondContact O-N 3.06Å; S636-G638 PolarHBondContact O-N 2.87Å
639F91.7Very high88.3Confident31 Ų3137.6 Ų37.614%0.13621%0.211CC..  trans-86.5141.2159.5-68.1-82000109.8K565 I568 N569 V634 L635 S637 L644K565-F639 HydrophobicContact CB-CE2 4.47Å; K565-F639 HydrophobicContact CG-CE2 3.83Å; K565-F639 HydrophobicContact CG-CZ 3.83Å; I568-F639 HydrophobicContact CB-CE2 3.72Å; I568-F639 HydrophobicContact CB-CZ 4.16Å; I568-F639 HydrophobicContact CD1-CD2 4.3Å; I568-F639 HydrophobicContact CD1-CE2 3.91Å; I568-F639 HydrophobicContact CG1-CE2 4.44Å; I568-F639 HydrophobicContact CG2-CD2 4.24Å; I568-F639 HydrophobicContact CG2-CE2 3.43Å; I568-F639 VanDerWaalsContact CG2-CE2 3.43Å; I568-F639 HydrophobicContact CG2-CZ 3.72Å; N569-F639 WeakPolarHBondContact OD1-CE1 3.2Å; N569-F639 VanDerWaalsContact OD1-CZ 3.26Å; N569-F639 WeakPolarHBondContact OD1-CZ 3.48Å; V634-F639 HydrophobicContact CG1-CB 3.88Å; V634-F639 HydrophobicContact CG1-CD2 3.97Å; V634-F639 HydrophobicContact CG1-CG 4.22Å; V634-F639 PolarHBondContact O-N 3.4Å; L635-F639 WeakPolarHBondContact CD2-O 3.48Å; S637-F639 WeakPolarHBondContact OG-CD2 3.41Å; S637-F639 WeakPolarHBondContact OG-CE2 3.43Å; F639-L644 HydrophobicContact CD1-CD2 3.51Å; F639-L644 HydrophobicContact CE1-CD2 3.67Å; F639-L644 HydrophobicContact CG-CD2 4.05Å; F639-L644 HydrophobicContact CZ-CD2 4.34Å
640S85.4Confident90.6Very high104 Ų10430.7 Ų30.773%0.72718%0.181SC*.SBendtrans-74.8-26.3175.954.10000113P642S640-P642 WeakPolarHBondContact O-CD 3.25Å
641T87.6Confident92.2Very high63 Ų6326.8 Ų26.839%0.38716%0.164SC..  trans-104.7106.2-178.1-490000109.5G643 L644T641-G643 PolarHBondContact O-N 3Å; T641-L644 WeakPolarHBondContact O-CB 3.34Å; T641-L644 PolarHBondContact O-N 3.41Å
642P89Confident93.1Very high2 Ų224.5 Ų24.51%0.01315%0.149CC..THydrogen-bonded Turntrans-61.2-33.4179.720.9-28.7000112.3M603 P604 L635 S640 L644 Y689M603-P642 HydrophobicContact CE-CB 4.34Å; M603-P642 HydrophobicContact CE-CG 3.89Å; M603-P642 VanDerWaalsContact SD-C 3.52Å; M603-P642 HydrophobicContact SD-CB 3.73Å; M603-P642 HydrophobicContact SD-CG 3.94Å; P604-P642 HydrophobicContact CG-CB 4.2Å; P604-P642 HydrophobicContact CG-CG 4.08Å; L635-P642 HydrophobicContact CD1-CB 3.98Å; L635-P642 HydrophobicContact CD2-CB 3.77Å; L635-P642 HydrophobicContact CD2-CG 4.15Å; L635-P642 HydrophobicContact CG-CB 3.76Å; S640-P642 WeakPolarHBondContact O-CD 3.25Å; P642-L644 VanDerWaalsContact C-N 3.25Å; P642-L644 PolarHBondContact O-N 3.4Å; P642-Y689 WeakPolarHBondContact CD-OH 3.31Å; P642-Y689 HydrophobicContact CG-CD2 4.19Å; P642-Y689 HydrophobicContact CG-CE1 4.11Å; P642-Y689 HydrophobicContact CG-CE2 3.72Å
643G91.4Very high93.4Very high2 Ų221.7 Ų21.72%0.02114%0.138CC..THydrogen-bonded Turntrans-79.85.3-175.800000115.9M603 T641 V645 L646 N647M603-G643 WeakPolarHBondContact SD-CA 3.34Å; M603-G643 PolarHBondContact SD-N 3.47Å; T641-G643 PolarHBondContact O-N 3Å; G643-V645 PolarHBondContact O-N 2.93Å; G643-L646 PolarHBondContact O-N 3.41Å; G643-N647 VanDerWaalsContact O-CB 3.24Å; G643-N647 WeakPolarHBondContact O-CB 3.15Å; G643-N647 PolarHBondContact O-N 2.8Å
644L94.2Very high93.5Very high58 Ų5822.7 Ų22.730%0.30414%0.143SC..Hα-helixtrans-55.4-50.6-172.6-179.863.6000112.4L572 F639 T641 P642 A648L572-L644 HydrophobicContact CD1-CD1 4.49Å; L572-L644 HydrophobicContact CD1-CD2 3.53Å; L572-L644 HydrophobicContact CD1-CG 3.77Å; L572-L644 HydrophobicContact CD2-CG 4.4Å; F639-L644 HydrophobicContact CD1-CD2 3.51Å; F639-L644 HydrophobicContact CE1-CD2 3.67Å; F639-L644 HydrophobicContact CG-CD2 4.05Å; F639-L644 HydrophobicContact CZ-CD2 4.34Å; T641-L644 WeakPolarHBondContact O-CB 3.34Å; T641-L644 PolarHBondContact O-N 3.41Å; P642-L644 VanDerWaalsContact C-N 3.25Å; P642-L644 PolarHBondContact O-N 3.4Å; L644-A648 WeakPolarHBondContact O-CB 3.28Å; L644-A648 PolarHBondContact O-N 2.88Å; L644-A648 VanDerWaalsContact O-N 3.17Å
645V97.3Very high93.6Very high3 Ų328.9 Ų28.92%0.01817%0.166CC..Hα-helixtrans-72.9-41.8-178.2-175.20000111.2I568 L571 L572 L576 L600 L601 V634 G643 N647 A648 Y649I568-V645 HydrophobicContact CG2-CG2 3.71Å; L571-V645 HydrophobicContact CD2-CG1 4.07Å; L572-V645 HydrophobicContact CD2-CG2 4.47Å; L576-V645 HydrophobicContact CD1-CG1 3.87Å; L600-V645 HydrophobicContact CB-CB 4.32Å; L600-V645 HydrophobicContact CB-CG1 3.95Å; L600-V645 HydrophobicContact CB-CG2 4.44Å; L601-V645 HydrophobicContact CD2-CG1 4.04Å; V634-V645 HydrophobicContact CG2-CB 4.44Å; V634-V645 HydrophobicContact CG2-CG2 3.85Å; G643-V645 PolarHBondContact O-N 2.93Å; V645-N647 PolarHBondContact O-N 3.48Å; V645-A648 PolarHBondContact O-N 3.15Å; V645-Y649 VanDerWaalsContact O-CB 3.31Å; V645-Y649 WeakPolarHBondContact O-CB 3.34Å; V645-Y649 PolarHBondContact O-N 3.26Å
646L97.5Very high93.8Very high1 Ų127.3 Ų27.31%0.00516%0.158CC..Hα-helixtrans-61-42.7177.1178.960.9000112.4L601 M603 G643 Y649 S650 N682 L683 L686L601-L646 HydrophobicContact CB-CD1 4.19Å; L601-L646 HydrophobicContact CD2-CB 4.34Å; L601-L646 HydrophobicContact CD2-CD1 4.23Å; M603-L646 HydrophobicContact CG-CD2 3.67Å; G643-L646 PolarHBondContact O-N 3.41Å; L646-Y649 PolarHBondContact O-N 3.18Å; L646-S650 WeakPolarHBondContact O-CB 3.42Å; L646-S650 PolarHBondContact O-N 3.19Å; L646-S650 PolarHBondContact O-OG 3.32Å; L646-N682 HydrophobicContact CD2-CB 3.95Å; L646-N682 WeakPolarHBondContact CD2-O 3.42Å; L646-L683 HydrophobicContact CD1-CD2 3.96Å; L646-L683 HydrophobicContact CD1-CG 4.46Å; L646-L683 HydrophobicContact CD2-CD2 4.21Å; L646-L683 HydrophobicContact CG-CD2 4.12Å; L646-L686 HydrophobicContact CD2-CB 4.04Å; L646-L686 HydrophobicContact CD2-CD2 3.96Å; L646-L686 HydrophobicContact CG-CD2 4.04Å
647N96.5Very high94.1Very high38 Ų3829.2 Ų29.220%0.20317%0.166CC..Hα-helixtrans-64-45.5176.7-17967.1000111.1G643 V645 Y649 S650 V651 L686 S708G643-N647 VanDerWaalsContact O-CB 3.24Å; G643-N647 WeakPolarHBondContact O-CB 3.15Å; G643-N647 PolarHBondContact O-N 2.8Å; V645-N647 PolarHBondContact O-N 3.48Å; N647-Y649 PolarHBondContact O-N 3.33Å; N647-S650 PolarHBondContact O-N 3.28Å; N647-V651 WeakPolarHBondContact O-CG2 3.42Å; N647-V651 PolarHBondContact O-N 2.9Å; N647-L686 HydrophobicContact CB-CD2 4.39Å; N647-S708 PolarHBondContact ND2-OG 3.39Å; N647-S708 WeakPolarHBondContact OD1-CA 3.49Å; N647-S708 WeakPolarHBondContact OD1-CB 3.5Å; N647-S708 PolarHBondContact OD1-OG 3.26Å
648A97.1Very high94.3Very high19 Ų1933.6 Ų33.616%0.15720%0.195CC..Hα-helixtrans-63.5-39.3177.100000112.6L572 L576 L644 V645 V651 A652L572-A648 HydrophobicContact CD2-CB 3.53Å; L576-A648 HydrophobicContact CB-CB 3.9Å; L576-A648 HydrophobicContact CD1-CB 3.95Å; L644-A648 WeakPolarHBondContact O-CB 3.28Å; L644-A648 PolarHBondContact O-N 2.88Å; L644-A648 VanDerWaalsContact O-N 3.17Å; V645-A648 PolarHBondContact O-N 3.15Å; A648-V651 PolarHBondContact O-N 3.37Å; A648-A652 WeakPolarHBondContact O-CB 3.23Å; A648-A652 PolarHBondContact O-N 2.76Å
649Y98.1Very high94.4Very high1 Ų135.3 Ų35.30%0.00421%0.206CC..Hα-helixtrans-64.3-43.4174-178.8-104.4000112.1L576 L592 L595 S596 L601 V645 L646 N647 V651 A652 I653 F715L576-Y649 HydrophobicContact CD2-CD2 4.14Å; L592-Y649 HydrophobicContact CB-CE2 4.4Å; L592-Y649 HydrophobicContact CD2-CE2 4.5Å; L592-Y649 PolarHBondContact O-OH 2.78Å; L592-Y649 VanDerWaalsContact O-OH 3.06Å; L595-Y649 HydrophobicContact CB-CD2 4.2Å; L595-Y649 HydrophobicContact CB-CE2 3.85Å; S596-Y649 WeakPolarHBondContact CA-OH 3.44Å; S596-Y649 WeakPolarHBondContact CB-OH 3.33Å; L601-Y649 HydrophobicContact CD1-CD1 3.93Å; L601-Y649 HydrophobicContact CD1-CE1 3.98Å; L601-Y649 HydrophobicContact CD1-CG 4.34Å; L601-Y649 HydrophobicContact CD2-CD1 4.17Å; L601-Y649 HydrophobicContact CD2-CG 4Å; V645-Y649 VanDerWaalsContact O-CB 3.31Å; V645-Y649 WeakPolarHBondContact O-CB 3.34Å; V645-Y649 PolarHBondContact O-N 3.26Å; L646-Y649 PolarHBondContact O-N 3.18Å; N647-Y649 PolarHBondContact O-N 3.33Å; Y649-V651 VanDerWaalsContact C-N 3.35Å; Y649-V651 PolarHBondContact O-N 3.48Å; Y649-A652 PolarHBondContact O-N 3.13Å; Y649-I653 HydrophobicContact CD1-CD1 3.93Å; Y649-I653 HydrophobicContact CE1-CD1 3.28Å; Y649-I653 HydrophobicContact CE1-CG1 4.34Å; Y649-I653 HydrophobicContact CE2-CD1 4.04Å; Y649-I653 HydrophobicContact CE2-CG1 4.47Å; Y649-I653 PolarHBondContact O-N 3.03Å; Y649-I653 WeakPolarHBondContact OH-CD1 3.31Å; Y649-F715 AromaticContact CD1-CE1 3.99Å; Y649-F715 HydrophobicContact CD1-CE1 3.99Å; Y649-F715 HydrophobicContact CD1-CZ 4.46Å; Y649-F715 AromaticContact CE1-CE1 3.83Å; Y649-F715 HydrophobicContact CE1-CE1 3.83Å; Y649-F715 AromaticContact CE1-CZ 3.87Å; Y649-F715 HydrophobicContact CE1-CZ 3.87Å
650S97.7Very high94.6Very high0 Ų034.3 Ų34.30%020%0.202CC..Hα-helixtrans-59-46.4175.8-53.20000111L646 N647 A652 I653 N654L646-S650 WeakPolarHBondContact O-CB 3.42Å; L646-S650 PolarHBondContact O-N 3.19Å; L646-S650 PolarHBondContact O-OG 3.32Å; N647-S650 PolarHBondContact O-N 3.28Å; S650-A652 PolarHBondContact O-N 2.75Å; S650-I653 PolarHBondContact O-N 3.26Å; S650-N654 WeakPolarHBondContact O-CB 3.4Å; S650-N654 PolarHBondContact O-N 3.2Å; S650-N654 PolarHBondContact O-ND2 3.13Å
651V96.7Very high95Very high23 Ų2330.1 Ų30.114%0.13917%0.174CC..Hα-helixtrans-60.2-44.7175.3171.90000111.6N647 A648 Y649 I653 N654 R655 Q711N647-V651 WeakPolarHBondContact O-CG2 3.42Å; N647-V651 PolarHBondContact O-N 2.9Å; A648-V651 PolarHBondContact O-N 3.37Å; Y649-V651 VanDerWaalsContact C-N 3.35Å; Y649-V651 PolarHBondContact O-N 3.48Å; V651-I653 VanDerWaalsContact C-N 3.32Å; V651-I653 PolarHBondContact O-N 2.77Å; V651-N654 PolarHBondContact O-N 3.05Å; V651-R655 HydrophobicContact CG1-CG 4.33Å; V651-R655 VanDerWaalsContact CG1-NE 3.3Å; V651-R655 WeakPolarHBondContact O-CB 3.34Å; V651-R655 VanDerWaalsContact O-CG 3.24Å; V651-R655 WeakPolarHBondContact O-CG 3.32Å; V651-R655 PolarHBondContact O-N 2.95Å; V651-R655 VanDerWaalsContact O-N 3.09Å; V651-Q711 HydrophobicContact CG2-CB 4.07Å; V651-Q711 HydrophobicContact CG2-CG 3.72Å
652A96.2Very high95.4Very high1 Ų133.3 Ų33.31%0.00818%0.182CC..Hα-helixtrans-61.6-39.6-18000000112.3L576 A648 Y649 S650L576-A652 HydrophobicContact CD2-CB 4.22Å; A648-A652 WeakPolarHBondContact O-CB 3.23Å; A648-A652 PolarHBondContact O-N 2.76Å; Y649-A652 PolarHBondContact O-N 3.13Å; S650-A652 PolarHBondContact O-N 2.75Å
653I96.5Very high95.8Very high0 Ų034 Ų340%019%0.185CC..Hα-helixtrans-70.2-47.7176-72-179.7000111.7Y649 S650 V651 R655 L656 L664 F668 F715 R718Y649-I653 HydrophobicContact CD1-CD1 3.93Å; Y649-I653 HydrophobicContact CE1-CD1 3.28Å; Y649-I653 HydrophobicContact CE1-CG1 4.34Å; Y649-I653 HydrophobicContact CE2-CD1 4.04Å; Y649-I653 HydrophobicContact CE2-CG1 4.47Å; Y649-I653 PolarHBondContact O-N 3.03Å; Y649-I653 WeakPolarHBondContact OH-CD1 3.31Å; S650-I653 PolarHBondContact O-N 3.26Å; V651-I653 VanDerWaalsContact C-N 3.32Å; V651-I653 PolarHBondContact O-N 2.77Å; I653-R655 PolarHBondContact O-N 3.37Å; I653-L656 WeakPolarHBondContact O-CB 3.4Å; I653-L656 WeakPolarHBondContact O-CG 3.49Å; I653-L656 PolarHBondContact O-N 3.45Å; I653-L664 HydrophobicContact CD1-CD2 4.28Å; I653-L664 HydrophobicContact CG1-CD2 4.06Å; I653-L664 HydrophobicContact CG2-CD2 4.15Å; I653-F668 HydrophobicContact CD1-CE2 4.29Å; I653-F668 HydrophobicContact CD1-CZ 3.99Å; I653-F715 HydrophobicContact CD1-CD2 4.26Å; I653-F715 HydrophobicContact CD1-CE1 4.15Å; I653-F715 HydrophobicContact CD1-CE2 3.56Å; I653-F715 HydrophobicContact CD1-CZ 3.51Å; I653-F715 HydrophobicContact CG2-CD2 3.91Å; I653-F715 HydrophobicContact CG2-CE2 4Å; I653-R718 PolarHBondContact O-NH2 2.68Å
654N96.1Very high96Very high33 Ų3333.9 Ų33.918%0.17618%0.184CC..Hα-helixtrans-67.7-23.4-174.6-67.4-22.3000113S650 V651 L656 Q711 F715S650-N654 WeakPolarHBondContact O-CB 3.4Å; S650-N654 PolarHBondContact O-N 3.2Å; S650-N654 PolarHBondContact O-ND2 3.13Å; V651-N654 PolarHBondContact O-N 3.05Å; N654-L656 VanDerWaalsContact C-N 3.33Å; N654-Q711 PolarHBondContact ND2-O 3.14Å; N654-Q711 PolarHBondContact ND2-OE1 3.04Å; N654-F715 PolarHBondContact OD1-N 3.27Å
655R94.6Very high96.1Very high131 Ų13132.2 Ų32.249%0.49418%0.176SC..THydrogen-bonded Turntrans-78.7-10.6176.7-75.8177.9177.4-1752.2114.3L581 V651 I653L581-R655 HydrophobicContact CD2-CB 4.31Å; L581-R655 WeakPolarHBondContact CD2-O 3.31Å; V651-R655 HydrophobicContact CG1-CG 4.33Å; V651-R655 VanDerWaalsContact CG1-NE 3.3Å; V651-R655 WeakPolarHBondContact O-CB 3.34Å; V651-R655 VanDerWaalsContact O-CG 3.24Å; V651-R655 WeakPolarHBondContact O-CG 3.32Å; V651-R655 PolarHBondContact O-N 2.95Å; V651-R655 VanDerWaalsContact O-N 3.09Å; I653-R655 PolarHBondContact O-N 3.37Å
656L95.7Very high96Very high12 Ų1237.6 Ų37.66%0.06320%0.196CC..SBendtrans-62.9139.9-178.8-65.3174.5000111.5Y583 L589 L592 I653 N654 P660 L664Y583-L656 HydrophobicContact CD2-CD2 4.32Å; Y583-L656 HydrophobicContact CE2-CD2 3.76Å; L589-L656 HydrophobicContact CD2-CD1 4.36Å; L589-L656 HydrophobicContact CD2-CD2 4.35Å; L592-L656 HydrophobicContact CD1-CD1 4.2Å; I653-L656 WeakPolarHBondContact O-CB 3.4Å; I653-L656 WeakPolarHBondContact O-CG 3.49Å; I653-L656 PolarHBondContact O-N 3.45Å; N654-L656 VanDerWaalsContact C-N 3.33Å; L656-P660 HydrophobicContact CB-CG 4.37Å; L656-L664 HydrophobicContact CD1-CD2 3.73Å
657D95.6Very high96Very high61 Ų6137.6 Ų37.633%0.32620%0.195SC..  trans-59.8159172.4-82.8-22.7000111.7L581 A659 P660 S661L581-D657 PolarHBondContact O-N 3.46Å; D657-A659 PolarHBondContact O-N 3.33Å; D657-P660 HydrophobicContact CB-CG 4.03Å; D657-P660 WeakPolarHBondContact O-CD 3.45Å; D657-P660 WeakPolarHBondContact O-CG 3.35Å; D657-S661 WeakPolarHBondContact O-CB 3.12Å; D657-S661 PolarHBondContact O-N 2.94Å
658P95.1Very high96Very high94 Ų9435.8 Ų35.861%0.6119%0.186SC*.Hα-helixtrans-54.7-33.2-175.2-2935.4000115.1K662P658-K662 WeakPolarHBondContact O-CB 3.17Å; P658-K662 VanDerWaalsContact O-CG 3.24Å; P658-K662 WeakPolarHBondContact O-CG 3.4Å; P658-K662 PolarHBondContact O-N 2.93Å; P658-K662 VanDerWaalsContact O-N 3.12Å
659A93.4Very high96Very high65 Ų6536 Ų3654%0.53719%0.186SC..Hα-helixtrans-69.5-61.5179.300000113.4D657 S661 K662 I663D657-A659 PolarHBondContact O-N 3.33Å; A659-S661 PolarHBondContact O-N 3.11Å; A659-K662 PolarHBondContact O-N 3.47Å; A659-I663 PolarHBondContact O-N 3.11Å
660P94.7Very high95.7Very high9 Ų941.4 Ų41.46%0.05821%0.209CC..Hα-helixtrans-61.7-33.1175.722.7-32.7000112.2L589 L656 D657 I663 L664L589-P660 HydrophobicContact CD1-CB 3.91Å; L589-P660 HydrophobicContact CD2-CB 4.16Å; L656-P660 HydrophobicContact CB-CG 4.37Å; D657-P660 HydrophobicContact CB-CG 4.03Å; D657-P660 WeakPolarHBondContact O-CD 3.45Å; D657-P660 WeakPolarHBondContact O-CG 3.35Å; P660-I663 PolarHBondContact O-N 3.47Å; P660-L664 PolarHBondContact O-N 3.02Å
661S95.3Very high95.5Very high17 Ų1741.5 Ų41.512%0.11921%0.209CC..Hα-helixtrans-55.7-52.3174.2177.90000112.3D657 A659 I663 L664 D665 R718D657-S661 WeakPolarHBondContact O-CB 3.12Å; D657-S661 PolarHBondContact O-N 2.94Å; A659-S661 PolarHBondContact O-N 3.11Å; S661-I663 VanDerWaalsContact C-N 3.29Å; S661-I663 PolarHBondContact O-N 2.9Å; S661-L664 PolarHBondContact O-N 3.31Å; S661-D665 PolarHBondContact O-N 3.03Å; S661-R718 PolarHBondContact O-NH1 2.91Å; S661-R718 PolarHBondContact OG-NH1 3.23Å; S661-R718 PolarHBondContact OG-NH2 3.42Å
662K95.6Very high95.4Very high129 Ų12943.9 Ų43.956%0.56122%0.219SC*.Hα-helixtrans-63.5-34.5-179.1-77.4175.3-177.7-1760112.9P658 A659 D665 R666P658-K662 WeakPolarHBondContact O-CB 3.17Å; P658-K662 VanDerWaalsContact O-CG 3.24Å; P658-K662 WeakPolarHBondContact O-CG 3.4Å; P658-K662 PolarHBondContact O-N 2.93Å; P658-K662 VanDerWaalsContact O-N 3.12Å; A659-K662 PolarHBondContact O-N 3.47Å; K662-D665 PolarHBondContact O-N 3.37Å; K662-R666 WeakPolarHBondContact O-CG 3.35Å; K662-R666 PolarHBondContact O-N 3.5Å; K662-R666 VanDerWaalsContact O-N 3.11Å
663I95.8Very high95.3Very high17 Ų1746.1 Ų46.19%0.08723%0.233CC..Hα-helixtrans-67.5-46.3177.1-65171.2000109.7R538 I586 L589 A659 P660 S661 D665 R666 W667R538-I663 HydrophobicContact CB-CG1 4.5Å; R538-I663 HydrophobicContact CG-CD1 4.08Å; R538-I663 HydrophobicContact CG-CG1 4.19Å; I586-I663 HydrophobicContact CG2-CD1 3.54Å; L589-I663 HydrophobicContact CD1-CB 4.42Å; L589-I663 HydrophobicContact CD1-CG2 4.29Å; A659-I663 PolarHBondContact O-N 3.11Å; P660-I663 PolarHBondContact O-N 3.47Å; S661-I663 VanDerWaalsContact C-N 3.29Å; S661-I663 PolarHBondContact O-N 2.9Å; I663-D665 VanDerWaalsContact C-N 3.28Å; I663-D665 PolarHBondContact O-N 3.1Å; I663-R666 WeakPolarHBondContact O-CB 3.36Å; I663-R666 PolarHBondContact O-N 3.12Å; I663-W667 HydrophobicContact CG2-CD2 4.09Å; I663-W667 HydrophobicContact CG2-CZ2 3.91Å; I663-W667 PolarHBondContact O-N 2.58Å
664L96Very high95.3Very high0 Ų052.8 Ų52.80%026%0.258CS..Hα-helixtrans-60.8-39.5176.5-169.767000111.5M593 I653 L656 P660 S661 R666 W667 F668M593-L664 HydrophobicContact CG-CD1 3.93Å; M593-L664 HydrophobicContact SD-CD1 3.51Å; M593-L664 VanDerWaalsContact SD-CD1 3.51Å; I653-L664 HydrophobicContact CD1-CD2 4.28Å; I653-L664 HydrophobicContact CG1-CD2 4.06Å; I653-L664 HydrophobicContact CG2-CD2 4.15Å; L656-L664 HydrophobicContact CD1-CD2 3.73Å; P660-L664 PolarHBondContact O-N 3.02Å; S661-L664 PolarHBondContact O-N 3.31Å; L664-R666 PolarHBondContact O-N 2.95Å; L664-W667 HydrophobicContact CD1-CE3 4.14Å; L664-W667 PolarHBondContact O-N 3.33Å; L664-F668 HydrophobicContact CD1-CE2 4.18Å; L664-F668 HydrophobicContact CD2-CE2 3.78Å; L664-F668 HydrophobicContact CD2-CZ 4.49Å; L664-F668 HydrophobicContact CG-CD2 3.92Å; L664-F668 HydrophobicContact CG-CE2 3.55Å; L664-F668 HydrophobicContact CG-CZ 4.4Å; L664-F668 WeakPolarHBondContact O-CD2 3.42Å; L664-F668 PolarHBondContact O-N 2.8Å
665D96.2Very high95.3Very high23 Ų2352 Ų5212%0.12325%0.253CS..Hα-helixtrans-60.4-44.4175.4-62.4-18.7000111.6S661 K662 I663 W667 F668 T669 R718 V722S661-D665 PolarHBondContact O-N 3.03Å; K662-D665 PolarHBondContact O-N 3.37Å; I663-D665 VanDerWaalsContact C-N 3.28Å; I663-D665 PolarHBondContact O-N 3.1Å; D665-W667 PolarHBondContact O-N 3.43Å; D665-F668 PolarHBondContact O-N 3.25Å; D665-T669 PolarHBondContact O-N 2.9Å; D665-T669 VanDerWaalsContact O-N 3.12Å; D665-R718 WeakPolarHBondContact OD1-CD 3.4Å; D665-R718 WeakPolarHBondContact OD1-CG 3.46Å; D665-R718 IonicContact OD1-CZ 3.99Å; D665-R718 IonicContact OD1-NE 2.73Å; D665-R718 IonicContact OD1-NH1 2.65Å; D665-R718 PolarHBondContact OD1-NH1 2.95Å; D665-R718 IonicContact OD2-NH1 2.79Å; D665-V722 HydrophobicContact CB-CG2 4.07Å
666R96.2Very high95.4Very high116 Ų11645.7 Ų45.744%0.43823%0.229SC..Hα-helixtrans-60.5-43.6173.5-71.5-179.6-175.8-171.2-4.4111.8E539 K662 I663 L664 F668 T669 K670E539-R666 IonicContact OE1-CZ 3.13Å; E539-R666 IonicContact OE1-NE 2.69Å; E539-R666 IonicContact OE1-NH1 2.75Å; E539-R666 PolarHBondContact OE1-NH1 3.46Å; K662-R666 WeakPolarHBondContact O-CG 3.35Å; K662-R666 PolarHBondContact O-N 3.5Å; K662-R666 VanDerWaalsContact O-N 3.11Å; I663-R666 WeakPolarHBondContact O-CB 3.36Å; I663-R666 PolarHBondContact O-N 3.12Å; L664-R666 PolarHBondContact O-N 2.95Å; R666-F668 VanDerWaalsContact C-N 3.3Å; R666-F668 PolarHBondContact O-N 3.39Å; R666-T669 WeakPolarHBondContact O-CB 3.44Å; R666-T669 PolarHBondContact O-N 3.44Å; R666-T669 PolarHBondContact O-OG1 3.24Å; R666-K670 PolarHBondContact O-N 2.92Å
667W97Very high95.4Very high0 Ų050 Ų500%025%0.248CC..Hα-helixtrans-63.8-35.9176.3-66-11.6000112.6T536 D537 H541 I586 L589 R590 M593 I663 L664 D665 T669 K670 M671T536-W667 HydrophobicContact CG2-CH2 4.27Å; T536-W667 HydrophobicContact CG2-CZ2 4.09Å; D537-W667 VanDerWaalsContact O-CZ2 3.26Å; D537-W667 WeakPolarHBondContact O-CZ2 3.39Å; D537-W667 PolarHBondContact O-NE1 3.05Å; D537-W667 VanDerWaalsContact O-NE1 3.13Å; H541-W667 HydrophobicContact CB-CB 4.13Å; H541-W667 HydrophobicContact CB-CD2 3.45Å; H541-W667 VanDerWaalsContact CB-CD2 3.45Å; H541-W667 HydrophobicContact CB-CE3 3.65Å; H541-W667 HydrophobicContact CB-CG 3.69Å; H541-W667 HydrophobicContact CB-CH2 4.32Å; H541-W667 HydrophobicContact CB-CZ2 4.19Å; H541-W667 HydrophobicContact CB-CZ3 4.05Å; I586-W667 WeakPolarHBondContact O-CH2 3.46Å; L589-W667 HydrophobicContact CB-CE3 4.24Å; L589-W667 HydrophobicContact CB-CH2 3.96Å; L589-W667 HydrophobicContact CB-CZ3 3.41Å; L589-W667 VanDerWaalsContact CB-CZ3 3.41Å; R590-W667 HydrophobicContact CG-CH2 4.24Å; R590-W667 HydrophobicContact CG-CZ3 4.38Å; M593-W667 HydrophobicContact CE-CB 4.12Å; M593-W667 HydrophobicContact CG-CE3 3.64Å; M593-W667 HydrophobicContact CG-CZ3 4.14Å; M593-W667 HydrophobicContact SD-CB 4.12Å; M593-W667 HydrophobicContact SD-CE3 4.39Å; I663-W667 HydrophobicContact CG2-CD2 4.09Å; I663-W667 HydrophobicContact CG2-CZ2 3.91Å; I663-W667 PolarHBondContact O-N 2.58Å; L664-W667 HydrophobicContact CD1-CE3 4.14Å; L664-W667 PolarHBondContact O-N 3.33Å; D665-W667 PolarHBondContact O-N 3.43Å; W667-T669 VanDerWaalsContact C-N 3.26Å; W667-T669 PolarHBondContact O-N 2.87Å; W667-K670 PolarHBondContact O-N 2.75Å; W667-K670 VanDerWaalsContact O-N 3.09Å; W667-M671 PolarHBondContact O-N 3.44Å
668F97.3Very high95.4Very high0 Ų049.7 Ų49.70%024%0.243CC..Hα-helixtrans-64.4-28.6171.6-77.3-65000112.6M593 I653 L664 D665 R666 K670 M671 L679 F715 L719 V722M593-F668 HydrophobicContact SD-CD1 4.46Å; M593-F668 HydrophobicContact SD-CE1 4.34Å; M593-F668 HydrophobicContact SD-CZ 4.5Å; I653-F668 HydrophobicContact CD1-CE2 4.29Å; I653-F668 HydrophobicContact CD1-CZ 3.99Å; L664-F668 HydrophobicContact CD1-CE2 4.18Å; L664-F668 HydrophobicContact CD2-CE2 3.78Å; L664-F668 HydrophobicContact CD2-CZ 4.49Å; L664-F668 HydrophobicContact CG-CD2 3.92Å; L664-F668 HydrophobicContact CG-CE2 3.55Å; L664-F668 HydrophobicContact CG-CZ 4.4Å; L664-F668 WeakPolarHBondContact O-CD2 3.42Å; L664-F668 PolarHBondContact O-N 2.8Å; D665-F668 PolarHBondContact O-N 3.25Å; R666-F668 VanDerWaalsContact C-N 3.3Å; R666-F668 PolarHBondContact O-N 3.39Å; F668-K670 PolarHBondContact O-N 2.9Å; F668-M671 HydrophobicContact CD1-CE 3.47Å; F668-M671 VanDerWaalsContact CD1-CE 3.47Å; F668-M671 HydrophobicContact CD1-SD 4.16Å; F668-M671 HydrophobicContact CE1-CE 3.6Å; F668-M671 VanDerWaalsContact O-CB 3.3Å; F668-M671 WeakPolarHBondContact O-CB 3.4Å; F668-M671 PolarHBondContact O-N 2.65Å; F668-L679 HydrophobicContact CE1-CD1 4.05Å; F668-F715 HydrophobicContact CE2-CE2 4.24Å; F668-F715 HydrophobicContact CZ-CE2 4.13Å; F668-F715 HydrophobicContact CZ-CZ 4.11Å; F668-L719 HydrophobicContact CD1-CD2 4.28Å; F668-L719 HydrophobicContact CE1-CD2 4.39Å; F668-L719 HydrophobicContact CG-CD2 4.37Å; F668-V722 HydrophobicContact CB-CB 4.37Å; F668-V722 HydrophobicContact CB-CG1 3.6Å; F668-V722 HydrophobicContact CB-CG2 3.91Å
669T95.5Very high95.5Very high25 Ų2545.3 Ų45.315%0.15322%0.215CC..Hα-helixtrans-68.7-16.617369.90000113.8D665 R666 W667 V722 N725 H726D665-T669 PolarHBondContact O-N 2.9Å; D665-T669 VanDerWaalsContact O-N 3.12Å; R666-T669 WeakPolarHBondContact O-CB 3.44Å; R666-T669 PolarHBondContact O-N 3.44Å; R666-T669 PolarHBondContact O-OG1 3.24Å; W667-T669 VanDerWaalsContact C-N 3.26Å; W667-T669 PolarHBondContact O-N 2.87Å; T669-V722 HydrophobicContact CG2-CG1 3.87Å; T669-N725 HydrophobicContact CG2-CB 4.24Å; T669-H726 PolarHBondContact O-CD2 2.79Å; T669-H726 VanDerWaalsContact O-CD2 3.22Å; T669-H726 PolarHBondContact O-NE2 3.18Å
670K92Very high95.6Very high113 Ų11342.2 Ų42.249%0.49119%0.189SC..Hα-helixtrans-94.7-10.8175.7-60.4-64.3-172.9172.90112.9R666 W667 F668R666-K670 PolarHBondContact O-N 2.92Å; W667-K670 PolarHBondContact O-N 2.75Å; W667-K670 VanDerWaalsContact O-N 3.09Å; F668-K670 PolarHBondContact O-N 2.9Å
671M93.5Very high95.7Very high2 Ų244.6 Ų44.61%0.0120%0.201CC..SBendtrans-66.3142.8179.3-175.8179.3-72.100110.5L545 M593 S596 W667 F668 Y675 L679 H726L545-M671 HydrophobicContact CD1-CB 4.48Å; L545-M671 HydrophobicContact CD1-CE 4.19Å; L545-M671 HydrophobicContact CD1-CG 4.06Å; M593-M671 HydrophobicContact CE-CE 3.66Å; S596-M671 WeakPolarHBondContact OG-CE 3.37Å; W667-M671 PolarHBondContact O-N 3.44Å; F668-M671 HydrophobicContact CD1-CE 3.47Å; F668-M671 VanDerWaalsContact CD1-CE 3.47Å; F668-M671 HydrophobicContact CD1-SD 4.16Å; F668-M671 HydrophobicContact CE1-CE 3.6Å; F668-M671 VanDerWaalsContact O-CB 3.3Å; F668-M671 WeakPolarHBondContact O-CB 3.4Å; F668-M671 PolarHBondContact O-N 2.65Å; M671-Y675 HydrophobicContact CG-CD2 4.2Å; M671-Y675 HydrophobicContact CG-CG 4.44Å; M671-Y675 WeakPolarHBondContact SD-CB 3.4Å; M671-L679 HydrophobicContact SD-CD1 4.29Å; M671-H726 PolarHBondContact O-NE2 3.26Å
672Q94.3Very high95.7Very high74 Ų7444.3 Ų44.335%0.34620%0.198SC..  trans-60.6138.3174.7-63.3172.25.300111D546 R674 Y675 L676D546-Q672 PolarHBondContact OD1-NE2 2.96Å; D546-Q672 PolarHBondContact OD1-OE1 3.27Å; D546-Q672 PolarHBondContact OD2-NE2 3.24Å; Q672-R674 HydrophobicContact CB-CG 4.1Å; Q672-R674 PolarHBondContact O-N 2.88Å; Q672-Y675 HydrophobicContact CB-CD2 3.99Å; Q672-Y675 HydrophobicContact CB-CE2 4.33Å; Q672-Y675 PolarHBondContact O-N 3.19Å; Q672-L676 PolarHBondContact O-N 2.86Å
673P95.4Very high95.7Very high47 Ų4738.2 Ų38.231%0.30517%0.172SC..Hα-helixtrans-54.1-28.2-176.1-29.434.7000114.6Y675 L676 K677 N728 I730P673-Y675 VanDerWaalsContact C-N 3.34Å; P673-Y675 PolarHBondContact O-N 3.4Å; P673-L676 PolarHBondContact O-N 3.39Å; P673-K677 VanDerWaalsContact O-CB 3.24Å; P673-K677 WeakPolarHBondContact O-CB 3.18Å; P673-K677 PolarHBondContact O-N 3.05Å; P673-N728 HydrophobicContact CG-CB 3.88Å; P673-N728 WeakPolarHBondContact CG-O 3.35Å; P673-I730 HydrophobicContact CB-CG2 3.87Å; P673-I730 WeakPolarHBondContact O-CG2 3.18Å
674R95.7Very high95.6Very high140 Ų14038 Ų3853%0.52817%0.171SC..Hα-helixtrans-61.4-37.9176.666.2177.8177.3-179.8-7113.5D546 Q672 K678D546-R674 IonicContact OD1-CZ 3.61Å; D546-R674 IonicContact OD1-NH2 3.98Å; D546-R674 PolarHBondContact OD1-NH2 3.07Å; D546-R674 IonicContact OD2-NH2 2.73Å; D546-R674 PolarHBondContact OD2-NH2 3.33Å; Q672-R674 HydrophobicContact CB-CG 4.1Å; Q672-R674 PolarHBondContact O-N 2.88Å; R674-K678 WeakPolarHBondContact O-CB 3.47Å; R674-K678 PolarHBondContact O-N 2.88Å
675Y96.5Very high95.5Very high16 Ų1639 Ų396%0.06318%0.176CC..Hα-helixtrans-79-39.9-179.3-64-53.4000111L545 D546 C549 V597 M671 Q672 P673 K677 K678 L679L545-Y675 HydrophobicContact CB-CE2 4.27Å; D546-Y675 WeakPolarHBondContact OD1-CE2 3.32Å; D546-Y675 VanDerWaalsContact OD1-CZ 3.28Å; D546-Y675 PolarHBondContact OD1-OH 3.1Å; C549-Y675 HydrophobicContact CB-CE1 4.09Å; V597-Y675 HydrophobicContact CB-CD1 4.03Å; V597-Y675 HydrophobicContact CB-CE1 4.11Å; V597-Y675 HydrophobicContact CB-CG 4.47Å; V597-Y675 HydrophobicContact CG1-CD1 3.59Å; V597-Y675 HydrophobicContact CG1-CD2 3.82Å; V597-Y675 HydrophobicContact CG1-CE1 3.93Å; V597-Y675 HydrophobicContact CG1-CE2 4.14Å; V597-Y675 HydrophobicContact CG1-CG 3.55Å; M671-Y675 HydrophobicContact CG-CD2 4.2Å; M671-Y675 HydrophobicContact CG-CG 4.44Å; M671-Y675 WeakPolarHBondContact SD-CB 3.4Å; Q672-Y675 HydrophobicContact CB-CD2 3.99Å; Q672-Y675 HydrophobicContact CB-CE2 4.33Å; Q672-Y675 PolarHBondContact O-N 3.19Å; P673-Y675 VanDerWaalsContact C-N 3.34Å; P673-Y675 PolarHBondContact O-N 3.4Å; Y675-K677 VanDerWaalsContact C-N 3.34Å; Y675-K677 PolarHBondContact O-N 3.01Å; Y675-K678 WeakPolarHBondContact O-CB 3.3Å; Y675-K678 PolarHBondContact O-N 3.24Å; Y675-L679 PolarHBondContact O-N 2.8Å
676L96.1Very high95.3Very high0 Ų038.1 Ų38.10%017%0.172CC..Hα-helixtrans-57.7-48.4171.5-175.761.9000110.7Q672 P673 K678 L679 V680 L719 N723 I730Q672-L676 PolarHBondContact O-N 2.86Å; P673-L676 PolarHBondContact O-N 3.39Å; L676-K678 PolarHBondContact O-N 2.92Å; L676-L679 PolarHBondContact O-N 3.36Å; L676-V680 WeakPolarHBondContact O-CG2 3.43Å; L676-V680 PolarHBondContact O-N 2.96Å; L676-L719 HydrophobicContact CD1-CB 4.15Å; L676-L719 HydrophobicContact CD1-CD1 4.44Å; L676-L719 HydrophobicContact CD1-CD2 3.75Å; L676-L719 HydrophobicContact CD1-CG 4.32Å; L676-N723 HydrophobicContact CD2-CB 4.43Å; L676-I730 HydrophobicContact CD2-CD1 4.49Å; L676-I730 HydrophobicContact CD2-CG1 4.25Å; L676-I730 HydrophobicContact CD2-CG2 4.45Å; L676-I730 HydrophobicContact CG-CD1 4.18Å; L676-I730 HydrophobicContact CG-CG1 4.46Å
677K96.2Very high95.1Very high103 Ų10332.6 Ų32.645%0.44815%0.151SC..Hα-helixtrans-57.6-46174.3-173.5174.9-174175.20112.1P673 Y675 L679 V680 L681 I730 T734P673-K677 VanDerWaalsContact O-CB 3.24Å; P673-K677 WeakPolarHBondContact O-CB 3.18Å; P673-K677 PolarHBondContact O-N 3.05Å; Y675-K677 VanDerWaalsContact C-N 3.34Å; Y675-K677 PolarHBondContact O-N 3.01Å; K677-L679 PolarHBondContact O-N 3.13Å; K677-V680 PolarHBondContact O-N 3.21Å; K677-L681 HydrophobicContact CG-CD1 3.99Å; K677-L681 HydrophobicContact CG-CG 4.39Å; K677-L681 WeakPolarHBondContact O-CB 3.42Å; K677-L681 VanDerWaalsContact O-CG 3.25Å; K677-L681 WeakPolarHBondContact O-CG 3.5Å; K677-L681 PolarHBondContact O-N 3.45Å; K677-I730 HydrophobicContact CB-CD1 4.42Å; K677-I730 HydrophobicContact CB-CG2 4.09Å; K677-T734 HydrophobicContact CG-CG2 3.96Å
678K95.6Very high94.8Very high54 Ų5433.4 Ų33.424%0.23516%0.156CC..Hα-helixtrans-58.8-46178.1-177-178.1176.5-173.70111.3V597 D599 N602 R674 Y675 L676 L681 N682V597-K678 PolarHBondContact O-NZ 2.88Å; D599-K678 IonicContact OD1-NZ 3.41Å; D599-K678 PolarHBondContact OD1-NZ 2.98Å; N602-K678 WeakPolarHBondContact OD1-CE 3.31Å; R674-K678 WeakPolarHBondContact O-CB 3.47Å; R674-K678 PolarHBondContact O-N 2.88Å; Y675-K678 WeakPolarHBondContact O-CB 3.3Å; Y675-K678 PolarHBondContact O-N 3.24Å; L676-K678 PolarHBondContact O-N 2.92Å; K678-L681 PolarHBondContact O-N 3.39Å; K678-N682 WeakPolarHBondContact O-CB 3.49Å; K678-N682 VanDerWaalsContact O-CG 3.3Å; K678-N682 PolarHBondContact O-N 3.27Å; K678-N682 PolarHBondContact O-ND2 3.43Å; K678-N682 VanDerWaalsContact O-ND2 3.17Å
679L96.9Very high94.4Very high2 Ų234.9 Ų34.91%0.0116%0.162CC..Hα-helixtrans-61.6-49.3177.6-78.3171.2000112.4S596 L601 F668 M671 Y675 L676 K677 L681 N682 L683 L719S596-L679 WeakPolarHBondContact O-CD2 3.48Å; L601-L679 HydrophobicContact CD1-CD2 3.75Å; F668-L679 HydrophobicContact CE1-CD1 4.05Å; M671-L679 HydrophobicContact SD-CD1 4.29Å; Y675-L679 PolarHBondContact O-N 2.8Å; L676-L679 PolarHBondContact O-N 3.36Å; K677-L679 PolarHBondContact O-N 3.13Å; L679-L681 PolarHBondContact O-N 3.41Å; L679-N682 PolarHBondContact O-N 3.4Å; L679-L683 WeakPolarHBondContact O-CG 3.3Å; L679-L683 PolarHBondContact O-N 3.34Å; L679-L719 HydrophobicContact CB-CD1 3.96Å
680V96.7Very high94Very high0 Ų034.6 Ų34.60%016%0.159CC..Hα-helixtrans-60.6-45.2179.3174.80000111.1L676 K677 N682 L683 N684 L719 I730 T734 F735L676-V680 WeakPolarHBondContact O-CG2 3.43Å; L676-V680 PolarHBondContact O-N 2.96Å; K677-V680 PolarHBondContact O-N 3.21Å; V680-N682 VanDerWaalsContact C-N 3.34Å; V680-N682 PolarHBondContact O-N 3.48Å; V680-L683 PolarHBondContact O-N 3.01Å; V680-N684 PolarHBondContact O-N 3.09Å; V680-L719 HydrophobicContact CG2-CB 4.15Å; V680-L719 HydrophobicContact CG2-CD1 3.88Å; V680-I730 HydrophobicContact CB-CD1 4.41Å; V680-I730 HydrophobicContact CG2-CD1 4.07Å; V680-T734 HydrophobicContact CB-CG2 4.33Å; V680-T734 HydrophobicContact CG1-CG2 4Å; V680-F735 HydrophobicContact CB-CE1 4.41Å; V680-F735 HydrophobicContact CG1-CD1 3.7Å; V680-F735 HydrophobicContact CG1-CD2 4.4Å; V680-F735 HydrophobicContact CG1-CE1 3.91Å; V680-F735 HydrophobicContact CG1-CG 3.96Å; V680-F735 HydrophobicContact CG1-CZ 4.36Å; V680-F735 HydrophobicContact CG2-CD1 4.2Å; V680-F735 HydrophobicContact CG2-CE1 3.53Å; V680-F735 HydrophobicContact CG2-CE2 4.46Å; V680-F735 HydrophobicContact CG2-CZ 3.69Å
681L95.1Very high93.8Very high58 Ų5831.3 Ų31.330%0.30415%0.147SC..Hα-helixtrans-62.3-40176.8-70.8176000112.4K677 K678 L679 N684 N685 T734K677-L681 HydrophobicContact CG-CD1 3.99Å; K677-L681 HydrophobicContact CG-CG 4.39Å; K677-L681 WeakPolarHBondContact O-CB 3.42Å; K677-L681 VanDerWaalsContact O-CG 3.25Å; K677-L681 WeakPolarHBondContact O-CG 3.5Å; K677-L681 PolarHBondContact O-N 3.45Å; K678-L681 PolarHBondContact O-N 3.39Å; L679-L681 PolarHBondContact O-N 3.41Å; L681-N684 PolarHBondContact O-N 3.46Å; L681-N685 WeakPolarHBondContact O-CB 3.47Å; L681-N685 PolarHBondContact O-N 3.09Å; L681-N685 PolarHBondContact O-ND2 3.4Å; L681-N685 PolarHBondContact O-OD1 3.41Å; L681-T734 HydrophobicContact CD2-CG2 3.86Å; L681-T734 HydrophobicContact CG-CG2 3.97Å
682N95.8Very high93.3Very high12 Ų1233.9 Ų33.96%0.06416%0.161CC..Hα-helixtrans-66.8-36.7176.9-77.7-34.4000112.2L601 N602 M603 L646 K678 L679 V680 N685 L686L601-N682 WeakPolarHBondContact O-CB 3.32Å; L601-N682 VanDerWaalsContact O-CG 3.31Å; L601-N682 PolarHBondContact O-ND2 3.17Å; N602-N682 WeakPolarHBondContact CA-OD1 3.11Å; N602-N682 PolarHBondContact OD1-ND2 2.95Å; M603-N682 HydrophobicContact CB-CB 4.34Å; M603-N682 WeakPolarHBondContact CB-O 3.38Å; M603-N682 PolarHBondContact N-OD1 3.44Å; L646-N682 HydrophobicContact CD2-CB 3.95Å; L646-N682 WeakPolarHBondContact CD2-O 3.42Å; K678-N682 WeakPolarHBondContact O-CB 3.49Å; K678-N682 VanDerWaalsContact O-CG 3.3Å; K678-N682 PolarHBondContact O-N 3.27Å; K678-N682 PolarHBondContact O-ND2 3.43Å; K678-N682 VanDerWaalsContact O-ND2 3.17Å; L679-N682 PolarHBondContact O-N 3.4Å; V680-N682 VanDerWaalsContact C-N 3.34Å; V680-N682 PolarHBondContact O-N 3.48Å; N682-N685 PolarHBondContact O-N 2.92Å; N682-L686 WeakPolarHBondContact O-CB 3.24Å; N682-L686 PolarHBondContact O-N 2.72Å
683L96.3Very high92.6Very high0 Ų034.4 Ų34.40%016%0.164CC..Hα-helixtrans-67.4-40.7173.5-69.2166.9000111.9L646 L679 V680 N685 L686 I687 A712 F715 M716 L719L646-L683 HydrophobicContact CD1-CD2 3.96Å; L646-L683 HydrophobicContact CD1-CG 4.46Å; L646-L683 HydrophobicContact CD2-CD2 4.21Å; L646-L683 HydrophobicContact CG-CD2 4.12Å; L679-L683 WeakPolarHBondContact O-CG 3.3Å; L679-L683 PolarHBondContact O-N 3.34Å; V680-L683 PolarHBondContact O-N 3.01Å; L683-N685 VanDerWaalsContact C-N 3.33Å; L683-N685 PolarHBondContact O-N 3.29Å; L683-L686 WeakPolarHBondContact O-CB 3.36Å; L683-L686 PolarHBondContact O-N 3.39Å; L683-I687 WeakPolarHBondContact O-CG1 3.35Å; L683-I687 PolarHBondContact O-N 2.9Å; L683-A712 HydrophobicContact CD2-CB 4.04Å; L683-F715 HydrophobicContact CD1-CB 4.45Å; L683-F715 HydrophobicContact CD1-CD1 3.63Å; L683-F715 HydrophobicContact CD1-CE1 4.07Å; L683-F715 HydrophobicContact CD1-CG 4.17Å; L683-F715 HydrophobicContact CD2-CD1 3.9Å; L683-F715 HydrophobicContact CG-CD1 4.3Å; L683-M716 HydrophobicContact CB-CE 3.39Å; L683-M716 HydrophobicContact CD1-CB 4.17Å; L683-L719 HydrophobicContact CD1-CD1 3.79Å
684N94.1Very high91.6Very high12 Ų1240.3 Ų40.36%0.06419%0.188CC..Hα-helixtrans-59.9-44.9172.9-81.9-17.1000112V680 L681 L686 I687 S688 M716 T734 L737V680-N684 PolarHBondContact O-N 3.09Å; L681-N684 PolarHBondContact O-N 3.46Å; N684-L686 VanDerWaalsContact C-N 3.33Å; N684-L686 PolarHBondContact O-N 3.12Å; N684-I687 PolarHBondContact O-N 3.47Å; N684-S688 WeakPolarHBondContact O-CB 3.47Å; N684-S688 PolarHBondContact O-N 3.49Å; N684-S688 PolarHBondContact O-OG 3.44Å; N684-M716 WeakPolarHBondContact OD1-CE 3.35Å; N684-M716 PolarHBondContact OD1-SD 2.77Å; N684-M716 VanDerWaalsContact OD1-SD 3.4Å; N684-T734 PolarHBondContact ND2-O 3.19Å; N684-L737 HydrophobicContact CB-CD2 3.88Å; N684-L737 WeakPolarHBondContact OD1-CD2 3.46Å
685N92.4Very high90.4Very high23 Ų2339.4 Ų39.412%0.12320%0.2CC..Hα-helixtrans-64.3-38.2176.4-68.7-10.9000111.4M603 L681 N682 L683 S688 Y689M603-N685 HydrophobicContact CB-CB 3.59Å; M603-N685 PolarHBondContact O-ND2 3.48Å; L681-N685 WeakPolarHBondContact O-CB 3.47Å; L681-N685 PolarHBondContact O-N 3.09Å; L681-N685 PolarHBondContact O-ND2 3.4Å; L681-N685 PolarHBondContact O-OD1 3.41Å; N682-N685 PolarHBondContact O-N 2.92Å; L683-N685 VanDerWaalsContact C-N 3.33Å; L683-N685 PolarHBondContact O-N 3.29Å; N685-S688 PolarHBondContact O-N 3.01Å; N685-Y689 WeakPolarHBondContact O-CB 3.36Å; N685-Y689 PolarHBondContact O-N 3Å
686L93.1Very high89.2Confident4 Ų439.1 Ų39.12%0.02120%0.201CC..Hα-helixtrans-59.8-49.9174.7178.658.1000112M603 L646 N647 N682 L683 N684 Y689 I690 A712M603-L686 HydrophobicContact CE-CB 4.27Å; M603-L686 HydrophobicContact CE-CD1 3.97Å; M603-L686 HydrophobicContact CG-CB 4.14Å; M603-L686 HydrophobicContact SD-CD1 4.25Å; L646-L686 HydrophobicContact CD2-CB 4.04Å; L646-L686 HydrophobicContact CD2-CD2 3.96Å; L646-L686 HydrophobicContact CG-CD2 4.04Å; N647-L686 HydrophobicContact CB-CD2 4.39Å; N682-L686 WeakPolarHBondContact O-CB 3.24Å; N682-L686 PolarHBondContact O-N 2.72Å; L683-L686 WeakPolarHBondContact O-CB 3.36Å; L683-L686 PolarHBondContact O-N 3.39Å; N684-L686 VanDerWaalsContact C-N 3.33Å; N684-L686 PolarHBondContact O-N 3.12Å; L686-Y689 PolarHBondContact O-N 3.17Å; L686-I690 HydrophobicContact CD1-CD1 3.88Å; L686-I690 HydrophobicContact CD1-CG1 4.25Å; L686-I690 HydrophobicContact CG-CD1 4.01Å; L686-I690 VanDerWaalsContact O-CG1 3.3Å; L686-I690 WeakPolarHBondContact O-CG1 3.49Å; L686-I690 PolarHBondContact O-N 3.2Å; L686-A712 HydrophobicContact CD2-CB 4.03Å
687I92.8Very high88.2Confident0 Ų044.2 Ų44.20%024%0.237CC..Hα-helixtrans-63-47.4-179.9-64.8164.1000109.8L683 N684 Y689 I690 L691 I709 A712 L713 M716 L737 F767L683-I687 WeakPolarHBondContact O-CG1 3.35Å; L683-I687 PolarHBondContact O-N 2.9Å; N684-I687 PolarHBondContact O-N 3.47Å; I687-Y689 VanDerWaalsContact C-N 3.33Å; I687-Y689 PolarHBondContact O-N 3.37Å; I687-I690 PolarHBondContact O-N 2.96Å; I687-L691 HydrophobicContact CG2-CD1 3.96Å; I687-L691 HydrophobicContact CG2-CG 4.43Å; I687-L691 VanDerWaalsContact O-CG 3.31Å; I687-L691 WeakPolarHBondContact O-CG 3.42Å; I687-L691 PolarHBondContact O-N 3.16Å; I687-I709 HydrophobicContact CG2-CG2 4.28Å; I687-A712 HydrophobicContact CD1-CB 4.05Å; I687-A712 HydrophobicContact CG1-CB 3.81Å; I687-L713 HydrophobicContact CD1-CD2 3.63Å; I687-L713 HydrophobicContact CD1-CG 3.8Å; I687-M716 HydrophobicContact CD1-CE 3.78Å; I687-L737 HydrophobicContact CB-CD2 4.27Å; I687-L737 HydrophobicContact CD1-CD1 4.16Å; I687-L737 HydrophobicContact CD1-CD2 4.42Å; I687-L737 HydrophobicContact CG2-CD1 3.89Å; I687-L737 HydrophobicContact CG2-CD2 4.35Å; I687-F767 HydrophobicContact CG2-CE1 4.17Å
688S90Very high87.6Confident16 Ų1641 Ų4111%0.11223%0.229CC..Hα-helixtrans-58.7-44.5177.4-60.10000111.9N684 N685 I690 L691 D692 S739N684-S688 WeakPolarHBondContact O-CB 3.47Å; N684-S688 PolarHBondContact O-N 3.49Å; N684-S688 PolarHBondContact O-OG 3.44Å; N685-S688 PolarHBondContact O-N 3.01Å; S688-I690 PolarHBondContact O-N 3.32Å; S688-L691 PolarHBondContact O-N 3.14Å; S688-D692 PolarHBondContact O-N 3.38Å; S688-S739 PolarHBondContact OG-OG 3.2Å
689Y87.9Confident86.9Confident32 Ų3247.1 Ų47.113%0.12525%0.252CS..Hα-helixtrans-60.8-44.2177.8-176.6-83.4000111.8M603 P607 P642 N685 L686 I687 L691 D692 M693M603-Y689 HydrophobicContact CE-CD1 4.27Å; M603-Y689 HydrophobicContact CE-CD2 4.22Å; M603-Y689 HydrophobicContact CE-CG 3.8Å; P607-Y689 HydrophobicContact CB-CD2 4.42Å; P607-Y689 HydrophobicContact CB-CE2 4.03Å; P607-Y689 HydrophobicContact CG-CD2 4.13Å; P607-Y689 HydrophobicContact CG-CE2 4.19Å; P642-Y689 WeakPolarHBondContact CD-OH 3.31Å; P642-Y689 HydrophobicContact CG-CD2 4.19Å; P642-Y689 HydrophobicContact CG-CE1 4.11Å; P642-Y689 HydrophobicContact CG-CE2 3.72Å; N685-Y689 WeakPolarHBondContact O-CB 3.36Å; N685-Y689 PolarHBondContact O-N 3Å; L686-Y689 PolarHBondContact O-N 3.17Å; I687-Y689 VanDerWaalsContact C-N 3.33Å; I687-Y689 PolarHBondContact O-N 3.37Å; Y689-L691 VanDerWaalsContact C-N 3.34Å; Y689-L691 PolarHBondContact O-N 3.23Å; Y689-D692 PolarHBondContact O-N 3.44Å; Y689-M693 HydrophobicContact CD1-CG 4.46Å; Y689-M693 HydrophobicContact CD1-SD 4.35Å; Y689-M693 HydrophobicContact CE1-CG 4.24Å; Y689-M693 HydrophobicContact CE1-SD 3.99Å; Y689-M693 WeakPolarHBondContact O-CG 3.44Å; Y689-M693 PolarHBondContact O-N 2.84Å
690I88.3Confident86.1Confident18 Ų1850.5 Ų50.59%0.09228%0.276CS..Hα-helixtrans-65.7-38.1178.1-64164.7000111.2L686 I687 S688 D692 M693 K705 I709L686-I690 HydrophobicContact CD1-CD1 3.88Å; L686-I690 HydrophobicContact CD1-CG1 4.25Å; L686-I690 HydrophobicContact CG-CD1 4.01Å; L686-I690 VanDerWaalsContact O-CG1 3.3Å; L686-I690 WeakPolarHBondContact O-CG1 3.49Å; L686-I690 PolarHBondContact O-N 3.2Å; I687-I690 PolarHBondContact O-N 2.96Å; S688-I690 PolarHBondContact O-N 3.32Å; I690-D692 VanDerWaalsContact C-N 3.35Å; I690-M693 PolarHBondContact O-N 3.08Å; I690-K705 HydrophobicContact CG2-CB 3.91Å; I690-K705 HydrophobicContact CG2-CD 4.28Å; I690-K705 HydrophobicContact CG2-CG 4.03Å; I690-I709 HydrophobicContact CB-CD1 4.36Å; I690-I709 HydrophobicContact CB-CG1 4.16Å; I690-I709 HydrophobicContact CD1-CG1 4.1Å; I690-I709 HydrophobicContact CG2-CD1 3.77Å; I690-I709 HydrophobicContact CG2-CG1 3.86Å
691L86.8Confident85.4Confident44 Ų4455.2 Ų55.223%0.2330%0.298CS..Hα-helixtrans-69.5-29.6177-68.7174.8000113I687 S688 Y689 I709 L740 K743 F767I687-L691 HydrophobicContact CG2-CD1 3.96Å; I687-L691 HydrophobicContact CG2-CG 4.43Å; I687-L691 VanDerWaalsContact O-CG 3.31Å; I687-L691 WeakPolarHBondContact O-CG 3.42Å; I687-L691 PolarHBondContact O-N 3.16Å; S688-L691 PolarHBondContact O-N 3.14Å; Y689-L691 VanDerWaalsContact C-N 3.34Å; Y689-L691 PolarHBondContact O-N 3.23Å; L691-I709 HydrophobicContact CD2-CD1 3.93Å; L691-I709 HydrophobicContact CG-CD1 4.36Å; L691-L740 HydrophobicContact CD1-CD1 3.98Å; L691-K743 HydrophobicContact CB-CG 4.41Å; L691-K743 HydrophobicContact CD1-CB 4.49Å; L691-F767 HydrophobicContact CD1-CZ 4.24Å; L691-F767 HydrophobicContact CD2-CZ 4.3Å
692D83.4Confident84.8Confident57 Ų5759.4 Ų59.431%0.30531%0.31SS..Hα-helixtrans-74.5-23175.5-79.3-27.1000113.5P607 S688 Y689 I690 K743P607-D692 HydrophobicContact CG-CB 3.89Å; S688-D692 PolarHBondContact O-N 3.38Å; Y689-D692 PolarHBondContact O-N 3.44Å; I690-D692 VanDerWaalsContact C-N 3.35Å; D692-K743 WeakPolarHBondContact OD1-CE 3.48Å; D692-K743 IonicContact OD1-NZ 2.65Å; D692-K743 PolarHBondContact OD1-NZ 3.06Å
693M80.1Confident84.3Confident85 Ų8564.4 Ų64.442%0.41933%0.331SS..SBendtrans-68.5145.4178.9-67.3-179.278.300111.8Y689 I690 K705Y689-M693 HydrophobicContact CD1-CG 4.46Å; Y689-M693 HydrophobicContact CD1-SD 4.35Å; Y689-M693 HydrophobicContact CE1-CG 4.24Å; Y689-M693 HydrophobicContact CE1-SD 3.99Å; Y689-M693 WeakPolarHBondContact O-CG 3.44Å; Y689-M693 PolarHBondContact O-N 2.84Å; I690-M693 PolarHBondContact O-N 3.08Å; M693-K705 VanDerWaalsContact CB-NZ 3.33Å
694E73.1Confident83.8Confident171 Ų17170.1 Ų70.180%0.79936%0.36SS*.PPolyproline II helixtrans-46.8138.9177.7-70.4-173.3169.700113.1A696 K705E694-A696 PolarHBondContact O-N 3.24Å; E694-A696 VanDerWaalsContact O-N 3.11Å; E694-K705 PolarHBondContact O-NZ 3.09Å
695P70.8Confident83.5Confident121 Ų12171.6 Ų71.679%0.78637%0.366SS*.PPolyproline II helixtrans-58.9120.8179.622.1-30.5000109.7S697P695-S697 PolarHBondContact O-N 3.37Å
696A72.1Confident83.4Confident9 Ų974.4 Ų74.47%0.07438%0.379CS..PPolyproline II helixtrans-61.2133.7-174.500000111.1E694 Q701 R702 K705E694-A696 PolarHBondContact O-N 3.24Å; E694-A696 VanDerWaalsContact O-N 3.11Å; A696-Q701 HydrophobicContact CB-CB 3.52Å; A696-R702 HydrophobicContact CB-CG 3.8Å; A696-R702 PolarHBondContact O-NE 3.06Å; A696-R702 PolarHBondContact O-NH2 2.76Å; A696-K705 HydrophobicContact CB-CD 4.38Å
697S75.6Confident83.3Confident108 Ų10877.4 Ų77.476%0.75539%0.393SS*.SBendtrans-75.5-39.7-179.456.90000111.9P695P695-S697 PolarHBondContact O-N 3.37Å
698A82.3Confident83.3Confident35 Ų3578.7 Ų78.729%0.28940%0.401SS..SBendtrans-85.9139.8-179.700000112.6S700 Q701 R702A698-S700 VanDerWaalsContact C-N 3.28Å; A698-S700 PolarHBondContact O-N 2.83Å; A698-Q701 HydrophobicContact CB-CB 4.43Å; A698-Q701 HydrophobicContact CB-CG 4.25Å; A698-Q701 PolarHBondContact O-N 2.82Å; A698-Q701 VanDerWaalsContact O-N 3.17Å; A698-R702 PolarHBondContact O-N 3.13Å; A698-R702 VanDerWaalsContact O-N 3.13Å
699Y82.1Confident83.5Confident183 Ų18378.5 Ų78.572%0.71840%0.399SS*.Hα-helixtrans-55.5-40.3175.8176.9-98.8000112.9Q701 R702 K703Y699-Q701 PolarHBondContact O-N 2.73Å; Y699-R702 PolarHBondContact O-N 3.36Å; Y699-K703 PolarHBondContact O-N 3.1Å
700S79.9Confident83.8Confident73 Ų7379.7 Ų79.751%0.5140%0.403SS..Hα-helixtrans-61.6-41.4178.153.50000112.8A698 K703 L704A698-S700 VanDerWaalsContact C-N 3.28Å; A698-S700 PolarHBondContact O-N 2.83Å; S700-K703 PolarHBondContact O-N 2.86Å; S700-L704 WeakPolarHBondContact O-CG 3.48Å; S700-L704 PolarHBondContact O-N 3.27Å
701Q81.5Confident84.2Confident98 Ų9880.2 Ų80.246%0.45841%0.406SS..Hα-helixtrans-68.7-38.7177.7-72.3177.2-8.800111.8A696 A698 Y699 L704 K705A696-Q701 HydrophobicContact CB-CB 3.52Å; A698-Q701 HydrophobicContact CB-CB 4.43Å; A698-Q701 HydrophobicContact CB-CG 4.25Å; A698-Q701 PolarHBondContact O-N 2.82Å; A698-Q701 VanDerWaalsContact O-N 3.17Å; Y699-Q701 PolarHBondContact O-N 2.73Å; Q701-L704 PolarHBondContact O-N 3.02Å; Q701-K705 WeakPolarHBondContact O-CG 3.42Å; Q701-K705 PolarHBondContact O-N 3.18Å
702R82Confident84.6Confident147 Ų14778.1 Ų78.156%0.55540%0.395SS*.Hα-helixtrans-59.5-47.7172.7-67.8-178.2-171.9177.92.6111.1A696 A698 Y699 L704 K705 E706A696-R702 HydrophobicContact CB-CG 3.8Å; A696-R702 PolarHBondContact O-NE 3.06Å; A696-R702 PolarHBondContact O-NH2 2.76Å; A698-R702 PolarHBondContact O-N 3.13Å; A698-R702 VanDerWaalsContact O-N 3.13Å; Y699-R702 PolarHBondContact O-N 3.36Å; R702-L704 VanDerWaalsContact C-N 3.33Å; R702-L704 PolarHBondContact O-N 3.15Å; R702-K705 PolarHBondContact O-N 3.14Å; R702-E706 PolarHBondContact O-N 3.41Å
703K86.1Confident85.3Confident117 Ų11775.4 Ų75.451%0.50938%0.38SS..Hα-helixtrans-61.6-38.9178.4-171.4173.8-178.3175.30112.6Y699 S700 E707Y699-K703 PolarHBondContact O-N 3.1Å; S700-K703 PolarHBondContact O-N 2.86Å; K703-E707 WeakPolarHBondContact O-CB 3.4Å; K703-E707 PolarHBondContact O-N 3.22Å
704L86.2Confident86.1Confident119 Ų11975 Ų7562%0.62338%0.377SS*.Hα-helixtrans-66.4-42.4175.6-75166.7000112.4S700 Q701 R702 E707 S708S700-L704 WeakPolarHBondContact O-CG 3.48Å; S700-L704 PolarHBondContact O-N 3.27Å; Q701-L704 PolarHBondContact O-N 3.02Å; R702-L704 VanDerWaalsContact C-N 3.33Å; R702-L704 PolarHBondContact O-N 3.15Å; L704-E707 PolarHBondContact O-N 3.41Å; L704-S708 PolarHBondContact O-N 3.22Å; L704-S708 PolarHBondContact O-OG 3.08Å
705K87.4Confident87.3Confident44 Ų4466.8 Ų66.819%0.19134%0.339CS..Hα-helixtrans-61.9-46.2175-73.8-174.5174.7-164.70111.4I690 M693 E694 A696 Q701 R702 S708 I709I690-K705 HydrophobicContact CG2-CB 3.91Å; I690-K705 HydrophobicContact CG2-CD 4.28Å; I690-K705 HydrophobicContact CG2-CG 4.03Å; M693-K705 VanDerWaalsContact CB-NZ 3.33Å; E694-K705 PolarHBondContact O-NZ 3.09Å; A696-K705 HydrophobicContact CB-CD 4.38Å; Q701-K705 WeakPolarHBondContact O-CG 3.42Å; Q701-K705 PolarHBondContact O-N 3.18Å; R702-K705 PolarHBondContact O-N 3.14Å; K705-S708 PolarHBondContact O-N 3Å; K705-I709 WeakPolarHBondContact O-CG1 3.41Å; K705-I709 PolarHBondContact O-N 3.26Å
706E89.6Confident88.6Confident81 Ų8161 Ų6138%0.37930%0.301SS..Hα-helixtrans-61.3-43.3176.7-170.5-166.2110.900111.6R702 S708 I709 R710 F765R702-E706 PolarHBondContact O-N 3.41Å; E706-S708 PolarHBondContact O-N 3.11Å; E706-I709 PolarHBondContact O-N 2.84Å; E706-R710 VanDerWaalsContact O-CB 3.3Å; E706-R710 WeakPolarHBondContact O-CB 3.28Å; E706-R710 PolarHBondContact O-N 2.59Å; E706-R710 IonicContact OE1-NH2 3.73Å; E706-F765 HydrophobicContact CG-CB 4.17Å; E706-F765 HydrophobicContact CG-CD1 3.84Å; E706-F765 HydrophobicContact CG-CG 4.03Å
707E91.5Very high89.8Confident68 Ų6865 Ų6532%0.31832%0.317SS..Hα-helixtrans-57.3-48.9174-173.464.8-137.100111.4K703 L704 I709 R710 Q711K703-E707 WeakPolarHBondContact O-CB 3.4Å; K703-E707 PolarHBondContact O-N 3.22Å; L704-E707 PolarHBondContact O-N 3.41Å; E707-I709 PolarHBondContact O-N 3.25Å; E707-R710 PolarHBondContact O-N 3.42Å; E707-R710 IonicContact OE1-CZ 2.64Å; E707-R710 IonicContact OE1-NH1 2.55Å; E707-R710 PolarHBondContact OE1-NH1 3.31Å; E707-R710 IonicContact OE2-CZ 3.02Å; E707-R710 IonicContact OE2-NH1 2.75Å; E707-R710 PolarHBondContact OE2-NH1 2.9Å; E707-R710 IonicContact OE2-NH2 3Å; E707-R710 PolarHBondContact OE2-NH2 2.94Å; E707-Q711 HydrophobicContact CG-CG 4.42Å; E707-Q711 WeakPolarHBondContact O-CB 3.03Å; E707-Q711 WeakPolarHBondContact O-CG 3.4Å; E707-Q711 PolarHBondContact O-N 3.35Å; E707-Q711 PolarHBondContact OE1-NE2 3.28Å
708S92.3Very high90.8Very high26 Ų2661.3 Ų61.318%0.18229%0.286CS..Hα-helixtrans-61.6-43178.2-77.90000113.1N647 L704 K705 E706 Q711 A712N647-S708 PolarHBondContact ND2-OG 3.39Å; N647-S708 WeakPolarHBondContact OD1-CA 3.49Å; N647-S708 WeakPolarHBondContact OD1-CB 3.5Å; N647-S708 PolarHBondContact OD1-OG 3.26Å; L704-S708 PolarHBondContact O-N 3.22Å; L704-S708 PolarHBondContact O-OG 3.08Å; K705-S708 PolarHBondContact O-N 3Å; E706-S708 PolarHBondContact O-N 3.11Å; S708-Q711 PolarHBondContact O-N 3.22Å; S708-A712 WeakPolarHBondContact O-CB 3.45Å; S708-A712 PolarHBondContact O-N 3.01Å
709I94.2Very high91.5Very high12 Ų1259.6 Ų59.66%0.06227%0.273CS..Hα-helixtrans-61.2-47.2175.6-70.2169.6000110I687 I690 L691 K705 E706 E707 Q711 A712 L713 F765 F767I687-I709 HydrophobicContact CG2-CG2 4.28Å; I690-I709 HydrophobicContact CB-CD1 4.36Å; I690-I709 HydrophobicContact CB-CG1 4.16Å; I690-I709 HydrophobicContact CD1-CG1 4.1Å; I690-I709 HydrophobicContact CG2-CD1 3.77Å; I690-I709 HydrophobicContact CG2-CG1 3.86Å; L691-I709 HydrophobicContact CD2-CD1 3.93Å; L691-I709 HydrophobicContact CG-CD1 4.36Å; K705-I709 WeakPolarHBondContact O-CG1 3.41Å; K705-I709 PolarHBondContact O-N 3.26Å; E706-I709 PolarHBondContact O-N 2.84Å; E707-I709 PolarHBondContact O-N 3.25Å; I709-Q711 PolarHBondContact O-N 3.4Å; I709-A712 PolarHBondContact O-N 3Å; I709-L713 HydrophobicContact CG2-CD1 3.67Å; I709-L713 HydrophobicContact CG2-CG 4.27Å; I709-L713 WeakPolarHBondContact O-CB 3.41Å; I709-L713 WeakPolarHBondContact O-CG 3.46Å; I709-L713 PolarHBondContact O-N 3.5Å; I709-F765 HydrophobicContact CG2-CE1 4.29Å; I709-F765 HydrophobicContact CG2-CE2 4.48Å; I709-F765 HydrophobicContact CG2-CZ 3.69Å; I709-F767 HydrophobicContact CG2-CE1 3.96Å; I709-F767 HydrophobicContact CG2-CZ 3.87Å
710R94.7Very high92.2Very high57 Ų5751.5 Ų51.522%0.21524%0.241CC..Hα-helixtrans-63.7-39.1-179.9179.5164.821.669.2-0.1112.6E706 E707 L713 E714 F765E706-R710 VanDerWaalsContact O-CB 3.3Å; E706-R710 WeakPolarHBondContact O-CB 3.28Å; E706-R710 PolarHBondContact O-N 2.59Å; E706-R710 IonicContact OE1-NH2 3.73Å; E707-R710 PolarHBondContact O-N 3.42Å; E707-R710 IonicContact OE1-CZ 2.64Å; E707-R710 IonicContact OE1-NH1 2.55Å; E707-R710 PolarHBondContact OE1-NH1 3.31Å; E707-R710 IonicContact OE2-CZ 3.02Å; E707-R710 IonicContact OE2-NH1 2.75Å; E707-R710 PolarHBondContact OE2-NH1 2.9Å; E707-R710 IonicContact OE2-NH2 3Å; E707-R710 PolarHBondContact OE2-NH2 2.94Å; R710-L713 PolarHBondContact O-N 3.31Å; R710-E714 WeakPolarHBondContact O-CB 3.24Å; R710-E714 PolarHBondContact O-N 2.75Å; R710-F765 HydrophobicContact CB-CD2 4.08Å; R710-F765 HydrophobicContact CB-CE2 4.06Å; R710-F765 HydrophobicContact CG-CD2 4.24Å; R710-F765 HydrophobicContact CG-CE2 4.47Å
711Q95.9Very high92.9Very high30 Ų3055.2 Ų55.214%0.1424%0.244CC..Hα-helixtrans-66-39.7174.9-66.7-63.9-26.600112V651 N654 E707 S708 I709 F715V651-Q711 HydrophobicContact CG2-CB 4.07Å; V651-Q711 HydrophobicContact CG2-CG 3.72Å; N654-Q711 PolarHBondContact ND2-O 3.14Å; N654-Q711 PolarHBondContact ND2-OE1 3.04Å; E707-Q711 HydrophobicContact CG-CG 4.42Å; E707-Q711 WeakPolarHBondContact O-CB 3.03Å; E707-Q711 WeakPolarHBondContact O-CG 3.4Å; E707-Q711 PolarHBondContact O-N 3.35Å; E707-Q711 PolarHBondContact OE1-NE2 3.28Å; S708-Q711 PolarHBondContact O-N 3.22Å; I709-Q711 PolarHBondContact O-N 3.4Å; Q711-F715 PolarHBondContact O-N 3.5Å; Q711-F715 VanDerWaalsContact O-N 3.08Å
712A96.9Very high93.6Very high0 Ų050.7 Ų50.70%022%0.223CC..Hα-helixtrans-65.1-43.1174.500000111.8L683 L686 I687 S708 I709 F715 M716L683-A712 HydrophobicContact CD2-CB 4.04Å; L686-A712 HydrophobicContact CD2-CB 4.03Å; I687-A712 HydrophobicContact CD1-CB 4.05Å; I687-A712 HydrophobicContact CG1-CB 3.81Å; S708-A712 WeakPolarHBondContact O-CB 3.45Å; S708-A712 PolarHBondContact O-N 3.01Å; I709-A712 PolarHBondContact O-N 3Å; A712-F715 PolarHBondContact O-N 2.91Å; A712-M716 VanDerWaalsContact O-CB 3.31Å; A712-M716 WeakPolarHBondContact O-CB 3.34Å; A712-M716 PolarHBondContact O-N 3.42Å
713L97.5Very high94.2Very high0 Ų043.7 Ų43.70%020%0.197CC..Hα-helixtrans-66.4-40.1177.3-74.1170.2000112.7I687 I709 R710 F715 M716 K717 L737 F765 F767 Y770 V773I687-L713 HydrophobicContact CD1-CD2 3.63Å; I687-L713 HydrophobicContact CD1-CG 3.8Å; I709-L713 HydrophobicContact CG2-CD1 3.67Å; I709-L713 HydrophobicContact CG2-CG 4.27Å; I709-L713 WeakPolarHBondContact O-CB 3.41Å; I709-L713 WeakPolarHBondContact O-CG 3.46Å; I709-L713 PolarHBondContact O-N 3.5Å; R710-L713 PolarHBondContact O-N 3.31Å; L713-F715 VanDerWaalsContact C-N 3.35Å; L713-M716 PolarHBondContact O-N 3.43Å; L713-K717 WeakPolarHBondContact O-CB 3.41Å; L713-K717 PolarHBondContact O-N 3.36Å; L713-L737 HydrophobicContact CD2-CD1 4.37Å; L713-F765 HydrophobicContact CD1-CE2 3.63Å; L713-F765 HydrophobicContact CD1-CZ 3.55Å; L713-F767 HydrophobicContact CD1-CD1 3.92Å; L713-F767 HydrophobicContact CD1-CE1 3.89Å; L713-Y770 HydrophobicContact CB-CD1 3.89Å; L713-Y770 HydrophobicContact CB-CD2 4.08Å; L713-Y770 HydrophobicContact CB-CE1 3.78Å; L713-Y770 HydrophobicContact CB-CE2 3.97Å; L713-Y770 HydrophobicContact CB-CG 4.04Å; L713-Y770 HydrophobicContact CD1-CD2 3.83Å; L713-Y770 HydrophobicContact CD1-CE2 4.01Å; L713-Y770 HydrophobicContact CD1-CG 4.34Å; L713-Y770 HydrophobicContact CD2-CG 4.31Å; L713-Y770 HydrophobicContact CG-CD2 4.4Å; L713-Y770 HydrophobicContact CG-CG 4.48Å; L713-V773 HydrophobicContact CD2-CG1 3.64Å
714E97Very high94.4Very high75 Ų7542.8 Ų42.835%0.3519%0.194SC..Hα-helixtrans-66.2-39.5176.9-167.260.2-148.600111.4R710 K717 R718 Y770R710-E714 WeakPolarHBondContact O-CB 3.24Å; R710-E714 PolarHBondContact O-N 2.75Å; E714-K717 WeakPolarHBondContact O-CB 3.42Å; E714-K717 PolarHBondContact O-N 2.93Å; E714-R718 PolarHBondContact O-N 3.47Å; E714-Y770 PolarHBondContact OE2-OH 3.13Å
715F97.9Very high94.6Very high0 Ų042.3 Ų42.30%019%0.192CC..Hα-helixtrans-67.5-39.7173.6-176-149.8000111.1Y649 I653 N654 F668 L683 Q711 A712 L713 K717 R718 L719Y649-F715 AromaticContact CD1-CE1 3.99Å; Y649-F715 HydrophobicContact CD1-CE1 3.99Å; Y649-F715 HydrophobicContact CD1-CZ 4.46Å; Y649-F715 AromaticContact CE1-CE1 3.83Å; Y649-F715 HydrophobicContact CE1-CE1 3.83Å; Y649-F715 AromaticContact CE1-CZ 3.87Å; Y649-F715 HydrophobicContact CE1-CZ 3.87Å; I653-F715 HydrophobicContact CD1-CD2 4.26Å; I653-F715 HydrophobicContact CD1-CE1 4.15Å; I653-F715 HydrophobicContact CD1-CE2 3.56Å; I653-F715 HydrophobicContact CD1-CZ 3.51Å; I653-F715 HydrophobicContact CG2-CD2 3.91Å; I653-F715 HydrophobicContact CG2-CE2 4Å; N654-F715 PolarHBondContact OD1-N 3.27Å; F668-F715 HydrophobicContact CE2-CE2 4.24Å; F668-F715 HydrophobicContact CZ-CE2 4.13Å; F668-F715 HydrophobicContact CZ-CZ 4.11Å; L683-F715 HydrophobicContact CD1-CB 4.45Å; L683-F715 HydrophobicContact CD1-CD1 3.63Å; L683-F715 HydrophobicContact CD1-CE1 4.07Å; L683-F715 HydrophobicContact CD1-CG 4.17Å; L683-F715 HydrophobicContact CD2-CD1 3.9Å; L683-F715 HydrophobicContact CG-CD1 4.3Å; Q711-F715 PolarHBondContact O-N 3.5Å; Q711-F715 VanDerWaalsContact O-N 3.08Å; A712-F715 PolarHBondContact O-N 2.91Å; L713-F715 VanDerWaalsContact C-N 3.35Å; F715-K717 PolarHBondContact O-N 3.38Å; F715-R718 WeakPolarHBondContact O-CB 3.45Å; F715-R718 PolarHBondContact O-N 3.02Å; F715-L719 HydrophobicContact CD2-CD2 4.49Å; F715-L719 HydrophobicContact CD2-CG 4.17Å; F715-L719 HydrophobicContact CE1-CD1 4.32Å; F715-L719 HydrophobicContact CE2-CD1 4.16Å; F715-L719 HydrophobicContact CE2-CD2 3.73Å; F715-L719 HydrophobicContact CE2-CG 3.83Å; F715-L719 HydrophobicContact CZ-CD1 4.01Å; F715-L719 HydrophobicContact CZ-CD2 4.07Å; F715-L719 HydrophobicContact CZ-CG 4.18Å; F715-L719 WeakPolarHBondContact O-CG 3.09Å; F715-L719 PolarHBondContact O-N 3.41Å
716M97.6Very high94.8Very high0 Ų040.9 Ų40.90%019%0.186CC..Hα-helixtrans-64.7-38.2175.7-165.4-177.9-6300112.6L683 N684 I687 A712 L713 R718 L719 H720 F735 F772 V773L683-M716 HydrophobicContact CB-CE 3.39Å; L683-M716 HydrophobicContact CD1-CB 4.17Å; N684-M716 WeakPolarHBondContact OD1-CE 3.35Å; N684-M716 PolarHBondContact OD1-SD 2.77Å; N684-M716 VanDerWaalsContact OD1-SD 3.4Å; I687-M716 HydrophobicContact CD1-CE 3.78Å; A712-M716 VanDerWaalsContact O-CB 3.31Å; A712-M716 WeakPolarHBondContact O-CB 3.34Å; A712-M716 PolarHBondContact O-N 3.42Å; L713-M716 PolarHBondContact O-N 3.43Å; M716-R718 VanDerWaalsContact C-N 3.33Å; M716-R718 PolarHBondContact O-N 3.48Å; M716-L719 CarbonylContact O-C 3.56Å; M716-L719 PolarHBondContact O-N 3Å; M716-H720 WeakPolarHBondContact O-CB 3.45Å; M716-H720 PolarHBondContact O-N 3.24Å; M716-F735 HydrophobicContact CG-CD1 3.77Å; M716-F735 HydrophobicContact CG-CE1 4.2Å; M716-F735 HydrophobicContact SD-CD1 4.39Å; M716-F772 HydrophobicContact CB-CE2 4.06Å; M716-F772 HydrophobicContact CB-CZ 4.41Å; M716-F772 HydrophobicContact CG-CD2 4.47Å; M716-F772 HydrophobicContact CG-CE2 3.69Å; M716-F772 HydrophobicContact CG-CZ 4.48Å; M716-F772 HydrophobicContact SD-CD2 4.44Å; M716-F772 HydrophobicContact SD-CE2 3.81Å; M716-V773 HydrophobicContact SD-CG1 4.29Å
717K96.7Very high94.7Very high93 Ų9341.9 Ų41.940%0.40420%0.2SC..Hα-helixtrans-60.6-42.5172.9-178.9176.6179.1177.40111.5L713 E714 F715 H720 R721 Y770 F772L713-K717 WeakPolarHBondContact O-CB 3.41Å; L713-K717 PolarHBondContact O-N 3.36Å; E714-K717 WeakPolarHBondContact O-CB 3.42Å; E714-K717 PolarHBondContact O-N 2.93Å; F715-K717 PolarHBondContact O-N 3.38Å; K717-H720 WeakPolarHBondContact O-CB 3.39Å; K717-H720 PolarHBondContact O-N 3.18Å; K717-R721 PolarHBondContact O-N 3.1Å; K717-Y770 HydrophobicContact CB-CD1 4.11Å; K717-Y770 HydrophobicContact CB-CE1 4.18Å; K717-Y770 HydrophobicContact CD-CD1 4.06Å; K717-Y770 HydrophobicContact CD-CE1 3.88Å; K717-F772 HydrophobicContact CB-CE1 3.58Å; K717-F772 HydrophobicContact CB-CZ 3.61Å; K717-F772 HydrophobicContact CG-CE1 3.82Å; K717-F772 HydrophobicContact CG-CZ 4.37Å
718R96.6Very high94.6Very high29 Ų2943.9 Ų43.911%0.10921%0.213CC..Hα-helixtrans-59.6-49.5171.7175.9-168.9-72.9-115.23.6110.9I653 S661 D665 E714 F715 M716 H720 R721 V722I653-R718 PolarHBondContact O-NH2 2.68Å; S661-R718 PolarHBondContact O-NH1 2.91Å; S661-R718 PolarHBondContact OG-NH1 3.23Å; S661-R718 PolarHBondContact OG-NH2 3.42Å; D665-R718 WeakPolarHBondContact OD1-CD 3.4Å; D665-R718 WeakPolarHBondContact OD1-CG 3.46Å; D665-R718 IonicContact OD1-CZ 3.99Å; D665-R718 IonicContact OD1-NE 2.73Å; D665-R718 IonicContact OD1-NH1 2.65Å; D665-R718 PolarHBondContact OD1-NH1 2.95Å; D665-R718 IonicContact OD2-NH1 2.79Å; E714-R718 PolarHBondContact O-N 3.47Å; F715-R718 WeakPolarHBondContact O-CB 3.45Å; F715-R718 PolarHBondContact O-N 3.02Å; M716-R718 VanDerWaalsContact C-N 3.33Å; M716-R718 PolarHBondContact O-N 3.48Å; R718-H720 VanDerWaalsContact C-N 3.27Å; R718-H720 PolarHBondContact O-N 2.9Å; R718-R721 PolarHBondContact O-N 2.82Å; R718-V722 WeakPolarHBondContact O-CG2 3.12Å; R718-V722 PolarHBondContact O-N 2.78Å
719L97.5Very high94.6Very high0 Ų046 Ų460%023%0.226CC..Hα-helixtrans-63.4-32.1178.4-64.9-178.6000112.7F668 L676 L679 V680 L683 F715 M716 V722 N723 F735F668-L719 HydrophobicContact CD1-CD2 4.28Å; F668-L719 HydrophobicContact CE1-CD2 4.39Å; F668-L719 HydrophobicContact CG-CD2 4.37Å; L676-L719 HydrophobicContact CD1-CB 4.15Å; L676-L719 HydrophobicContact CD1-CD1 4.44Å; L676-L719 HydrophobicContact CD1-CD2 3.75Å; L676-L719 HydrophobicContact CD1-CG 4.32Å; L679-L719 HydrophobicContact CB-CD1 3.96Å; V680-L719 HydrophobicContact CG2-CB 4.15Å; V680-L719 HydrophobicContact CG2-CD1 3.88Å; L683-L719 HydrophobicContact CD1-CD1 3.79Å; F715-L719 HydrophobicContact CD2-CD2 4.49Å; F715-L719 HydrophobicContact CD2-CG 4.17Å; F715-L719 HydrophobicContact CE1-CD1 4.32Å; F715-L719 HydrophobicContact CE2-CD1 4.16Å; F715-L719 HydrophobicContact CE2-CD2 3.73Å; F715-L719 HydrophobicContact CE2-CG 3.83Å; F715-L719 HydrophobicContact CZ-CD1 4.01Å; F715-L719 HydrophobicContact CZ-CD2 4.07Å; F715-L719 HydrophobicContact CZ-CG 4.18Å; F715-L719 WeakPolarHBondContact O-CG 3.09Å; F715-L719 PolarHBondContact O-N 3.41Å; M716-L719 CarbonylContact O-C 3.56Å; M716-L719 PolarHBondContact O-N 3Å; L719-V722 WeakPolarHBondContact O-CB 3.47Å; L719-V722 PolarHBondContact O-N 3.47Å; L719-N723 WeakPolarHBondContact O-CB 3.44Å; L719-N723 PolarHBondContact O-N 3.15Å; L719-F735 HydrophobicContact CB-CE1 4.2Å
720H96.5Very high94.5Very high12 Ų1246.1 Ų46.16%0.05623%0.227CC..Hα-helixtrans-62.9-48.3173-174-84.5000111.1M716 K717 R718 V722 N723 E724 Y732 F735 F772M716-H720 WeakPolarHBondContact O-CB 3.45Å; M716-H720 PolarHBondContact O-N 3.24Å; K717-H720 WeakPolarHBondContact O-CB 3.39Å; K717-H720 PolarHBondContact O-N 3.18Å; R718-H720 VanDerWaalsContact C-N 3.27Å; R718-H720 PolarHBondContact O-N 2.9Å; H720-V722 VanDerWaalsContact C-N 3.32Å; H720-V722 PolarHBondContact O-N 2.87Å; H720-N723 WeakPolarHBondContact O-CA 3.46Å; H720-N723 VanDerWaalsContact O-CB 3.26Å; H720-N723 WeakPolarHBondContact O-CB 3.18Å; H720-N723 PolarHBondContact O-N 3.12Å; H720-E724 IonicContact CE1-OE1 2.9Å; H720-E724 PolarHBondContact CE1-OE1 3.23Å; H720-E724 IonicContact ND1-OE1 3.84Å; H720-E724 PolarHBondContact ND1-OE1 2.86Å; H720-E724 WeakPolarHBondContact O-CG 3.43Å; H720-E724 PolarHBondContact O-N 3.41Å; H720-Y732 AromaticContact CE1-CE1 3.84Å; H720-Y732 AromaticContact NE2-CD1 3.41Å; H720-Y732 WeakPolarHBondContact NE2-CD1 3.32Å; H720-Y732 AromaticContact NE2-CE1 3.52Å; H720-F735 HydrophobicContact CB-CD1 4.14Å; H720-F735 HydrophobicContact CB-CE1 3.81Å; H720-F735 HydrophobicContact CB-CZ 4.26Å; H720-F772 HydrophobicContact CB-CD1 4.37Å; H720-F772 HydrophobicContact CB-CD2 4.48Å; H720-F772 HydrophobicContact CB-CG 4.26Å; H720-F772 WeakPolarHBondContact CD2-CB 3.47Å; H720-F772 AromaticContact CD2-CG 3.71Å; H720-F772 AromaticContact CG-CG 3.95Å; H720-F772 WeakPolarHBondContact NE2-CB 3.45Å
721R94.8Very high94.4Very high151 Ų15146.5 Ų46.557%0.5724%0.238SC*.Hα-helixtrans-62.2-38.3174.8-176.1-175176.1175.15.3112.8K717 R718 N723 E724 N725K717-R721 PolarHBondContact O-N 3.1Å; R718-R721 PolarHBondContact O-N 2.82Å; R721-N723 VanDerWaalsContact C-N 3.29Å; R721-E724 PolarHBondContact O-N 3.34Å; R721-N725 PolarHBondContact O-ND2 2.92Å
722V96Very high94.1Very high4 Ų448.3 Ų48.32%0.02424%0.244CC..Hα-helixtrans-60.2-45.5172.1166.70000109.7D665 F668 T669 R718 L719 H720 E724 N725 H726D665-V722 HydrophobicContact CB-CG2 4.07Å; F668-V722 HydrophobicContact CB-CB 4.37Å; F668-V722 HydrophobicContact CB-CG1 3.6Å; F668-V722 HydrophobicContact CB-CG2 3.91Å; T669-V722 HydrophobicContact CG2-CG1 3.87Å; R718-V722 WeakPolarHBondContact O-CG2 3.12Å; R718-V722 PolarHBondContact O-N 2.78Å; L719-V722 WeakPolarHBondContact O-CB 3.47Å; L719-V722 PolarHBondContact O-N 3.47Å; H720-V722 VanDerWaalsContact C-N 3.32Å; H720-V722 PolarHBondContact O-N 2.87Å; V722-E724 VanDerWaalsContact C-N 3.32Å; V722-E724 PolarHBondContact O-N 3.19Å; V722-N725 CarbonylContact O-C 3.43Å; V722-N725 PolarHBondContact O-N 2.85Å; V722-N725 VanDerWaalsContact O-N 3.08Å; V722-H726 WeakPolarHBondContact O-CB 3.4Å; V722-H726 PolarHBondContact O-N 3.48Å
723N95.6Very high93.8Very high0 Ų053.2 Ų53.20%027%0.27CS..Hα-helixtrans-60.1-40.4-179.6-166.358000112.3L676 L719 H720 R721 N725 H726 P729 I730 F735L676-N723 HydrophobicContact CD2-CB 4.43Å; L719-N723 WeakPolarHBondContact O-CB 3.44Å; L719-N723 PolarHBondContact O-N 3.15Å; H720-N723 WeakPolarHBondContact O-CA 3.46Å; H720-N723 VanDerWaalsContact O-CB 3.26Å; H720-N723 WeakPolarHBondContact O-CB 3.18Å; H720-N723 PolarHBondContact O-N 3.12Å; R721-N723 VanDerWaalsContact C-N 3.29Å; N723-N725 PolarHBondContact O-N 3.4Å; N723-H726 WeakPolarHBondContact O-CB 3.49Å; N723-H726 PolarHBondContact O-N 3.4Å; N723-H726 VanDerWaalsContact O-N 3.13Å; N723-P729 WeakPolarHBondContact O-CB 3.09Å; N723-P729 WeakPolarHBondContact OD1-CA 3.32Å; N723-I730 PolarHBondContact ND2-O 2.94Å; N723-I730 WeakPolarHBondContact OD1-CG1 3.07Å; N723-I730 PolarHBondContact OD1-N 2.73Å; N723-F735 HydrophobicContact CB-CE2 4.13Å; N723-F735 HydrophobicContact CB-CZ 4Å
724E90.9Very high93.5Very high97 Ų9754 Ų5445%0.45328%0.275SS..Hα-helixtrans-57.2-32.4175-69.7162.9-173.900112.9H720 R721 V722 Y732H720-E724 IonicContact CE1-OE1 2.9Å; H720-E724 PolarHBondContact CE1-OE1 3.23Å; H720-E724 IonicContact ND1-OE1 3.84Å; H720-E724 PolarHBondContact ND1-OE1 2.86Å; H720-E724 WeakPolarHBondContact O-CG 3.43Å; H720-E724 PolarHBondContact O-N 3.41Å; R721-E724 PolarHBondContact O-N 3.34Å; V722-E724 VanDerWaalsContact C-N 3.32Å; V722-E724 PolarHBondContact O-N 3.19Å; E724-Y732 HydrophobicContact CG-CE1 4.45Å
725N90.3Very high93.4Very high109 Ų10950.5 Ų50.558%0.58326%0.259SS*.THydrogen-bonded Turntrans-101.96.1-178.6-62.1-76.5000112.9T669 R721 V722 N723T669-N725 HydrophobicContact CG2-CB 4.24Å; R721-N725 PolarHBondContact O-ND2 2.92Å; V722-N725 CarbonylContact O-C 3.43Å; V722-N725 PolarHBondContact O-N 2.85Å; V722-N725 VanDerWaalsContact O-N 3.08Å; N723-N725 PolarHBondContact O-N 3.4Å
726H91.8Very high93.2Very high14 Ų1452.1 Ų52.17%0.06527%0.265CS..  trans-85.5134-175-167.8-72.6000110T669 M671 V722 N723 N728 P729T669-H726 PolarHBondContact O-CD2 2.79Å; T669-H726 VanDerWaalsContact O-CD2 3.22Å; T669-H726 PolarHBondContact O-NE2 3.18Å; M671-H726 PolarHBondContact O-NE2 3.26Å; V722-H726 WeakPolarHBondContact O-CB 3.4Å; V722-H726 PolarHBondContact O-N 3.48Å; N723-H726 WeakPolarHBondContact O-CB 3.49Å; N723-H726 PolarHBondContact O-N 3.4Å; N723-H726 VanDerWaalsContact O-N 3.13Å; H726-N728 VanDerWaalsContact C-N 3.26Å; H726-N728 PolarHBondContact CE1-O 3.38Å; H726-N728 PolarHBondContact ND1-N 3.26Å; H726-N728 PolarHBondContact ND1-O 3.44Å; H726-N728 PolarHBondContact O-N 3.12Å; H726-P729 WeakPolarHBondContact O-CD 3.33Å
727P86.7Confident92.8Very high102 Ų10252.6 Ų52.666%0.66227%0.267SS*.SBendtrans-62.8-31.7-178.123.5-34000113.5
728N89.5Confident92.1Very high110 Ų11052.6 Ų52.659%0.58828%0.276SS*.SBendtrans-121.574.9173.8-65.7-51.3000110.6P673 H726P673-N728 HydrophobicContact CG-CB 3.88Å; P673-N728 WeakPolarHBondContact CG-O 3.35Å; H726-N728 VanDerWaalsContact C-N 3.26Å; H726-N728 PolarHBondContact CE1-O 3.38Å; H726-N728 PolarHBondContact ND1-N 3.26Å; H726-N728 PolarHBondContact ND1-O 3.44Å; H726-N728 PolarHBondContact O-N 3.12Å
729P91.4Very high91.4Very high72 Ų7252.6 Ų52.647%0.46828%0.28SS..PPolyproline II helixtrans-64.9145.7-171.928.2-33.9000111.5N723 H726N723-P729 WeakPolarHBondContact O-CB 3.09Å; N723-P729 WeakPolarHBondContact OD1-CA 3.32Å; H726-P729 WeakPolarHBondContact O-CD 3.33Å
730I93.9Very high90.8Very high14 Ų1452.8 Ų52.87%0.07228%0.281CS..PPolyproline II helixtrans-74.1153.5167.962.3163.5000109.6P673 L676 K677 V680 N723 Y732 T734 F735P673-I730 HydrophobicContact CB-CG2 3.87Å; P673-I730 WeakPolarHBondContact O-CG2 3.18Å; L676-I730 HydrophobicContact CD2-CD1 4.49Å; L676-I730 HydrophobicContact CD2-CG1 4.25Å; L676-I730 HydrophobicContact CD2-CG2 4.45Å; L676-I730 HydrophobicContact CG-CD1 4.18Å; L676-I730 HydrophobicContact CG-CG1 4.46Å; K677-I730 HydrophobicContact CB-CD1 4.42Å; K677-I730 HydrophobicContact CB-CG2 4.09Å; V680-I730 HydrophobicContact CB-CD1 4.41Å; V680-I730 HydrophobicContact CG2-CD1 4.07Å; N723-I730 PolarHBondContact ND2-O 2.94Å; N723-I730 WeakPolarHBondContact OD1-CG1 3.07Å; N723-I730 PolarHBondContact OD1-N 2.73Å; I730-Y732 PolarHBondContact O-N 2.68Å; I730-T734 HydrophobicContact CD1-CG2 4.09Å; I730-F735 HydrophobicContact CD1-CD2 4.49Å; I730-F735 HydrophobicContact CD1-CE2 3.69Å; I730-F735 HydrophobicContact CD1-CZ 4.05Å; I730-F735 HydrophobicContact CG1-CE2 3.88Å; I730-F735 HydrophobicContact CG1-CZ 4.45Å
731S91.6Very high89.9Confident65 Ų6558.1 Ų58.146%0.45530%0.304SS..PPolyproline II helixtrans-56.5129.8177174.80000111.1N733 T734S731-N733 PolarHBondContact O-N 3.13Å; S731-N733 VanDerWaalsContact O-N 3.14Å; S731-N733 PolarHBondContact OG-N 2.72Å; S731-T734 WeakPolarHBondContact O-CB 3.38Å; S731-T734 PolarHBondContact O-N 3Å; S731-T734 PolarHBondContact O-OG1 2.64Å
732Y90.5Very high89.3Confident68 Ų6856.8 Ų56.827%0.26731%0.308SS..G310 helixtrans-55.4-28.8175.5-71.6-76.5000112.7H720 E724 I730 T734 F735H720-Y732 AromaticContact CE1-CE1 3.84Å; H720-Y732 AromaticContact NE2-CD1 3.41Å; H720-Y732 WeakPolarHBondContact NE2-CD1 3.32Å; H720-Y732 AromaticContact NE2-CE1 3.52Å; E724-Y732 HydrophobicContact CG-CE1 4.45Å; I730-Y732 PolarHBondContact O-N 2.68Å; Y732-T734 PolarHBondContact O-N 3.26Å; Y732-F735 WeakPolarHBondContact O-CB 3.47Å; Y732-F735 PolarHBondContact O-N 3.38Å
733N88.9Confident88.5Confident102 Ų10261.3 Ų61.355%0.54533%0.327SS..G310 helixtrans-59.9-21.3174.4-57.9-6.4000113.2S731 F735 Y736S731-N733 PolarHBondContact O-N 3.13Å; S731-N733 VanDerWaalsContact O-N 3.14Å; S731-N733 PolarHBondContact OG-N 2.72Å; N733-F735 PolarHBondContact O-N 2.96Å; N733-Y736 HydrophobicContact CB-CD2 4.04Å; N733-Y736 HydrophobicContact CB-CE2 3.97Å; N733-Y736 PolarHBondContact O-N 3.27Å; N733-Y736 WeakPolarHBondContact OD1-CE2 3.49Å
734T92.4Very high87.9Confident18 Ų1863 Ų6311%0.1134%0.336CS..G310 helixtrans-65.4-27.9174.9-47.70000111.5K677 V680 L681 N684 I730 S731 Y732K677-T734 HydrophobicContact CG-CG2 3.96Å; V680-T734 HydrophobicContact CB-CG2 4.33Å; V680-T734 HydrophobicContact CG1-CG2 4Å; L681-T734 HydrophobicContact CD2-CG2 3.86Å; L681-T734 HydrophobicContact CG-CG2 3.97Å; N684-T734 PolarHBondContact ND2-O 3.19Å; I730-T734 HydrophobicContact CD1-CG2 4.09Å; S731-T734 WeakPolarHBondContact O-CB 3.38Å; S731-T734 PolarHBondContact O-N 3Å; S731-T734 PolarHBondContact O-OG1 2.64Å; Y732-T734 PolarHBondContact O-N 3.26Å
735F94.8Very high87.6Confident1 Ų163.7 Ų63.70%0.00434%0.343CS..G310 helixtrans-82.1-14-179.5-69.6-93.6000113.2V680 M716 L719 H720 N723 I730 Y732 N733 L737 F772V680-F735 HydrophobicContact CB-CE1 4.41Å; V680-F735 HydrophobicContact CG1-CD1 3.7Å; V680-F735 HydrophobicContact CG1-CD2 4.4Å; V680-F735 HydrophobicContact CG1-CE1 3.91Å; V680-F735 HydrophobicContact CG1-CG 3.96Å; V680-F735 HydrophobicContact CG1-CZ 4.36Å; V680-F735 HydrophobicContact CG2-CD1 4.2Å; V680-F735 HydrophobicContact CG2-CE1 3.53Å; V680-F735 HydrophobicContact CG2-CE2 4.46Å; V680-F735 HydrophobicContact CG2-CZ 3.69Å; M716-F735 HydrophobicContact CG-CD1 3.77Å; M716-F735 HydrophobicContact CG-CE1 4.2Å; M716-F735 HydrophobicContact SD-CD1 4.39Å; L719-F735 HydrophobicContact CB-CE1 4.2Å; H720-F735 HydrophobicContact CB-CD1 4.14Å; H720-F735 HydrophobicContact CB-CE1 3.81Å; H720-F735 HydrophobicContact CB-CZ 4.26Å; N723-F735 HydrophobicContact CB-CE2 4.13Å; N723-F735 HydrophobicContact CB-CZ 4Å; I730-F735 HydrophobicContact CD1-CD2 4.49Å; I730-F735 HydrophobicContact CD1-CE2 3.69Å; I730-F735 HydrophobicContact CD1-CZ 4.05Å; I730-F735 HydrophobicContact CG1-CE2 3.88Å; I730-F735 HydrophobicContact CG1-CZ 4.45Å; Y732-F735 WeakPolarHBondContact O-CB 3.47Å; Y732-F735 PolarHBondContact O-N 3.38Å; N733-F735 PolarHBondContact O-N 2.96Å; F735-L737 PolarHBondContact O-N 2.82Å; F735-F772 HydrophobicContact CB-CD2 4.17Å; F735-F772 HydrophobicContact CD1-CD2 4.19Å
736Y93.2Very high87.2Confident34 Ų3458.9 Ų58.913%0.13332%0.317CS..  trans-68.6131.7-178.4-59-20.8000112.5N733 T738 F772 V773 F774 D775 E1053N733-Y736 HydrophobicContact CB-CD2 4.04Å; N733-Y736 HydrophobicContact CB-CE2 3.97Å; N733-Y736 PolarHBondContact O-N 3.27Å; N733-Y736 WeakPolarHBondContact OD1-CE2 3.49Å; Y736-T738 PolarHBondContact O-N 3.15Å; Y736-F772 WeakPolarHBondContact CD1-O 3.47Å; Y736-V773 CarbonylContact C-O 3.42Å; Y736-V773 WeakPolarHBondContact CA-O 3.43Å; Y736-F774 WeakPolarHBondContact CD1-O 3.41Å; Y736-F774 VanDerWaalsContact CE1-O 3.26Å; Y736-F774 WeakPolarHBondContact CE1-O 3.08Å; Y736-D775 HydrophobicContact CD2-CB 3.69Å; Y736-D775 HydrophobicContact CE2-CB 3.98Å; Y736-D775 HydrophobicContact CG-CB 4.08Å; Y736-E1053 PolarHBondContact OH-OE1 3.19Å
737L90.1Very high86.9Confident9 Ų958.6 Ų58.65%0.04732%0.318CS..  trans-88.577.9169.6-70.1175.4000109.7N684 I687 L713 F735 S739 L740 F767 V773N684-L737 HydrophobicContact CB-CD2 3.88Å; N684-L737 WeakPolarHBondContact OD1-CD2 3.46Å; I687-L737 HydrophobicContact CB-CD2 4.27Å; I687-L737 HydrophobicContact CD1-CD1 4.16Å; I687-L737 HydrophobicContact CD1-CD2 4.42Å; I687-L737 HydrophobicContact CG2-CD1 3.89Å; I687-L737 HydrophobicContact CG2-CD2 4.35Å; L713-L737 HydrophobicContact CD2-CD1 4.37Å; F735-L737 PolarHBondContact O-N 2.82Å; L737-S739 PolarHBondContact O-N 2.99Å; L737-S739 VanDerWaalsContact O-N 3.14Å; L737-L740 HydrophobicContact CB-CB 3.93Å; L737-L740 HydrophobicContact CB-CD2 4.37Å; L737-L740 HydrophobicContact CD1-CD2 4.49Å; L737-L740 WeakPolarHBondContact O-CB 3.48Å; L737-L740 PolarHBondContact O-N 3.29Å; L737-F767 HydrophobicContact CD1-CE1 4.35Å; L737-V773 HydrophobicContact CB-CB 4.37Å; L737-V773 HydrophobicContact CD1-CB 3.83Å; L737-V773 HydrophobicContact CD1-CG1 4.11Å; L737-V773 HydrophobicContact CD1-CG2 4.22Å; L737-V773 HydrophobicContact CG-CB 3.99Å; L737-V773 HydrophobicContact CG-CG1 4.44Å; L737-V773 PolarHBondContact N-O 3.45Å
738T81.7Confident86.9Confident94 Ų9456.4 Ų56.458%0.57731%0.305SS*.THydrogen-bonded Turntrans-59.3-27-177.153.40000114.6Y736 L740Y736-T738 PolarHBondContact O-N 3.15Å; T738-L740 VanDerWaalsContact C-N 3.29Å
739S80.5Confident86.7Confident29 Ų2952.4 Ų52.420%0.20329%0.287CS..THydrogen-bonded Turntrans-75.3-14.917653.30000113.3S688 L737 K741 D742 K743S688-S739 PolarHBondContact OG-OG 3.2Å; L737-S739 PolarHBondContact O-N 2.99Å; L737-S739 VanDerWaalsContact O-N 3.14Å; S739-K741 VanDerWaalsContact C-N 3.32Å; S739-K741 PolarHBondContact O-N 3.13Å; S739-D742 PolarHBondContact O-N 3.24Å; S739-D742 VanDerWaalsContact O-N 3.15Å; S739-K743 WeakPolarHBondContact O-CG 3.38Å
740L84.8Confident86.6Confident3 Ų349 Ų492%0.01627%0.265CS..Hα-helixtrans-62.1-39.7-171.8-169.761.9000111.9L691 L737 T738 D742 K743 I744 F767 V773 F774L691-L740 HydrophobicContact CD1-CD1 3.98Å; L737-L740 HydrophobicContact CB-CB 3.93Å; L737-L740 HydrophobicContact CB-CD2 4.37Å; L737-L740 HydrophobicContact CD1-CD2 4.49Å; L737-L740 WeakPolarHBondContact O-CB 3.48Å; L737-L740 PolarHBondContact O-N 3.29Å; T738-L740 VanDerWaalsContact C-N 3.29Å; L740-D742 PolarHBondContact O-N 3.01Å; L740-K743 PolarHBondContact O-N 3.47Å; L740-I744 HydrophobicContact CD1-CD1 3.56Å; L740-I744 HydrophobicContact CD1-CG1 3.69Å; L740-I744 HydrophobicContact CD1-CG2 4.31Å; L740-I744 HydrophobicContact CD2-CD1 4Å; L740-I744 HydrophobicContact CG-CD1 3.58Å; L740-I744 HydrophobicContact CG-CG1 3.68Å; L740-I744 VanDerWaalsContact O-CG1 3.32Å; L740-I744 WeakPolarHBondContact O-CG1 3.29Å; L740-I744 PolarHBondContact O-N 3.17Å; L740-F767 HydrophobicContact CD1-CD1 4.06Å; L740-F767 HydrophobicContact CD1-CD2 4.28Å; L740-F767 HydrophobicContact CD1-CE1 3.93Å; L740-F767 HydrophobicContact CD1-CE2 4.15Å; L740-F767 HydrophobicContact CD1-CG 4.24Å; L740-F767 HydrophobicContact CD1-CZ 3.97Å; L740-F767 HydrophobicContact CD2-CB 4.35Å; L740-F767 HydrophobicContact CD2-CD1 4.13Å; L740-F767 HydrophobicContact CD2-CG 4.25Å; L740-V773 HydrophobicContact CD2-CG2 4.14Å; L740-F774 HydrophobicContact CD2-CD1 3.96Å; L740-F774 HydrophobicContact CD2-CE1 3.41Å; L740-F774 VanDerWaalsContact CD2-CE1 3.41Å; L740-F774 HydrophobicContact CD2-CZ 3.96Å; L740-F774 HydrophobicContact CG-CE1 4.48Å
741K79.6Confident86.4Confident124 Ų12449.8 Ų49.854%0.53927%0.271SS..Hα-helixtrans-58.8-30.5177.568.6-174.1-179.51770114.1S739 K743 I746S739-K741 VanDerWaalsContact C-N 3.32Å; S739-K741 PolarHBondContact O-N 3.13Å; K741-K743 VanDerWaalsContact C-N 3.32Å; K741-I746 HydrophobicContact CB-CD1 3.84Å
742D80.7Confident86.2Confident123 Ų12351 Ų5166%0.65827%0.272SS*.Hα-helixtrans-82.3-15.5179.6-58-32.1000111.9S739 L740S739-D742 PolarHBondContact O-N 3.24Å; S739-D742 VanDerWaalsContact O-N 3.15Å; L740-D742 PolarHBondContact O-N 3.01Å
743K80.4Confident86.1Confident99 Ų9948.6 Ų48.643%0.4326%0.262SS..Hα-helixtrans-110.6-33.3-170.2-59-57.7178.9175.40113.7L691 D692 S739 L740 K741L691-K743 HydrophobicContact CB-CG 4.41Å; L691-K743 HydrophobicContact CD1-CB 4.49Å; D692-K743 WeakPolarHBondContact OD1-CE 3.48Å; D692-K743 IonicContact OD1-NZ 2.65Å; D692-K743 PolarHBondContact OD1-NZ 3.06Å; S739-K743 WeakPolarHBondContact O-CG 3.38Å; L740-K743 PolarHBondContact O-N 3.47Å; K741-K743 VanDerWaalsContact C-N 3.32Å
744I81.6Confident86Confident37 Ų3744.4 Ų44.419%0.1924%0.24CC..SBendtrans-123.3142.917866.4164.9000109.9L740 I746 F767L740-I744 HydrophobicContact CD1-CD1 3.56Å; L740-I744 HydrophobicContact CD1-CG1 3.69Å; L740-I744 HydrophobicContact CD1-CG2 4.31Å; L740-I744 HydrophobicContact CD2-CD1 4Å; L740-I744 HydrophobicContact CG-CD1 3.58Å; L740-I744 HydrophobicContact CG-CG1 3.68Å; L740-I744 VanDerWaalsContact O-CG1 3.32Å; L740-I744 WeakPolarHBondContact O-CG1 3.29Å; L740-I744 PolarHBondContact O-N 3.17Å; I744-I746 VanDerWaalsContact C-N 3.35Å; I744-I746 HydrophobicContact CD1-CG1 4.48Å; I744-I746 HydrophobicContact CG1-CG1 4.19Å; I744-I746 PolarHBondContact O-N 3.13Å; I744-F767 HydrophobicContact CD1-CB 4.42Å; I744-F767 HydrophobicContact CD1-CD2 3.82Å; I744-F767 HydrophobicContact CD1-CE2 4.41Å; I744-F767 HydrophobicContact CD1-CG 4.27Å; I744-F767 HydrophobicContact CG2-CE2 4.45Å
745N84.8Confident85.7Confident110 Ų11049.4 Ų49.459%0.58826%0.262SS*.  trans-76.194.1167.5179.4-31.2000108.1G747 S748 A749N745-G747 PolarHBondContact O-N 3.3Å; N745-G747 PolarHBondContact OD1-N 3.33Å; N745-S748 VanDerWaalsContact CB-OG 3.32Å; N745-S748 WeakPolarHBondContact CB-OG 3.17Å; N745-S748 PolarHBondContact O-N 2.87Å; N745-S748 VanDerWaalsContact O-N 3.16Å; N745-S748 PolarHBondContact O-OG 3.18Å; N745-S748 PolarHBondContact OD1-N 2.98Å; N745-S748 PolarHBondContact OD1-OG 3.41Å; N745-A749 PolarHBondContact O-N 3.12Å
746I83.2Confident85.3Confident8 Ų851.2 Ų51.24%0.04127%0.271CS..Hα-helixtrans-51.5-45.1-178-63.9179.3000110.5K741 I744 S748 A749 F750 F774 M782K741-I746 HydrophobicContact CB-CD1 3.84Å; I744-I746 VanDerWaalsContact C-N 3.35Å; I744-I746 HydrophobicContact CD1-CG1 4.48Å; I744-I746 HydrophobicContact CG1-CG1 4.19Å; I744-I746 PolarHBondContact O-N 3.13Å; I746-S748 PolarHBondContact O-N 3.21Å; I746-A749 PolarHBondContact O-N 3.21Å; I746-F750 VanDerWaalsContact O-CB 3.26Å; I746-F750 WeakPolarHBondContact O-CB 3.08Å; I746-F750 PolarHBondContact O-N 3.16Å; I746-F774 HydrophobicContact CG2-CE1 4.45Å; I746-M782 HydrophobicContact CG2-CE 3.38Å; I746-M782 HydrophobicContact CG2-CG 4.1Å
747G85.2Confident84.8Confident8 Ų850.2 Ų50.28%0.08227%0.268CS..Hα-helixtrans-59.4-49.5179.400000113.2N745 A749 F750 V751N745-G747 PolarHBondContact O-N 3.3Å; N745-G747 PolarHBondContact OD1-N 3.33Å; G747-A749 PolarHBondContact O-N 3.48Å; G747-F750 PolarHBondContact O-N 3.38Å; G747-V751 WeakPolarHBondContact O-CG2 3.48Å; G747-V751 PolarHBondContact O-N 3.48Å
748S85.8Confident84.5Confident56 Ų5654.9 Ų54.939%0.39229%0.293SS..Hα-helixtrans-64.6-40.1178.369.30000113.1N745 I746 F750 V751 N752N745-S748 VanDerWaalsContact CB-OG 3.32Å; N745-S748 WeakPolarHBondContact CB-OG 3.17Å; N745-S748 PolarHBondContact O-N 2.87Å; N745-S748 VanDerWaalsContact O-N 3.16Å; N745-S748 PolarHBondContact O-OG 3.18Å; N745-S748 PolarHBondContact OD1-N 2.98Å; N745-S748 PolarHBondContact OD1-OG 3.41Å; I746-S748 PolarHBondContact O-N 3.21Å; S748-F750 VanDerWaalsContact C-N 3.34Å; S748-V751 PolarHBondContact O-N 3.49Å; S748-N752 PolarHBondContact O-N 3.11Å; S748-N752 VanDerWaalsContact O-N 3.12Å; S748-N752 PolarHBondContact O-ND2 3.19Å
749A86.6Confident84.6Confident26 Ų2654.4 Ų54.422%0.21529%0.294CS..Hα-helixtrans-64.7-41.8178.500000111N745 I746 G747 N752 W753N745-A749 PolarHBondContact O-N 3.12Å; I746-A749 PolarHBondContact O-N 3.21Å; G747-A749 PolarHBondContact O-N 3.48Å; A749-N752 PolarHBondContact O-N 3.25Å; A749-W753 WeakPolarHBondContact O-CB 3.37Å; A749-W753 PolarHBondContact O-N 3.28Å
750F89.3Confident84.4Confident0 Ų056.5 Ų56.50%032%0.32CS..Hα-helixtrans-65.4-42.8176.8178.5-105.6000112.4I746 G747 S748 N752 W753 L754 M782 I785 E786 S1045 L1048I746-F750 VanDerWaalsContact O-CB 3.26Å; I746-F750 WeakPolarHBondContact O-CB 3.08Å; I746-F750 PolarHBondContact O-N 3.16Å; G747-F750 PolarHBondContact O-N 3.38Å; S748-F750 VanDerWaalsContact C-N 3.34Å; F750-N752 PolarHBondContact O-N 3.1Å; F750-W753 AromaticContact CD2-CE3 3.99Å; F750-W753 HydrophobicContact CD2-CE3 3.99Å; F750-W753 HydrophobicContact CD2-CZ3 4.37Å; F750-W753 AromaticContact CE2-CE3 3.78Å; F750-W753 HydrophobicContact CE2-CE3 3.78Å; F750-W753 AromaticContact CE2-CZ3 3.75Å; F750-W753 HydrophobicContact CE2-CZ3 3.75Å; F750-W753 PolarHBondContact O-N 3.14Å; F750-L754 HydrophobicContact CE1-CD2 4.35Å; F750-L754 WeakPolarHBondContact O-CB 3.16Å; F750-L754 PolarHBondContact O-N 3.4Å; F750-M782 HydrophobicContact CB-CG 4.06Å; F750-M782 HydrophobicContact CD1-CB 4.06Å; F750-M782 HydrophobicContact CD1-CG 4.3Å; F750-M782 HydrophobicContact CD2-CB 3.9Å; F750-M782 HydrophobicContact CD2-CG 3.78Å; F750-M782 HydrophobicContact CD2-SD 3.86Å; F750-M782 HydrophobicContact CE1-CB 4.17Å; F750-M782 VanDerWaalsContact CE1-O 3.25Å; F750-M782 WeakPolarHBondContact CE1-O 3.32Å; F750-M782 HydrophobicContact CE2-CB 4.02Å; F750-M782 HydrophobicContact CE2-CG 4.37Å; F750-M782 HydrophobicContact CE2-SD 4.41Å; F750-M782 HydrophobicContact CG-CB 3.94Å; F750-M782 HydrophobicContact CG-CG 3.76Å; F750-M782 HydrophobicContact CG-SD 4.39Å; F750-M782 HydrophobicContact CZ-CB 4.17Å; F750-I785 HydrophobicContact CD1-CB 4.32Å; F750-I785 HydrophobicContact CD1-CG2 4.05Å; F750-I785 HydrophobicContact CE1-CG2 4.43Å; F750-E786 HydrophobicContact CE1-CB 3.97Å; F750-E786 HydrophobicContact CZ-CB 4.19Å; F750-S1045 WeakPolarHBondContact CZ-OG 3.24Å; F750-L1048 HydrophobicContact CE2-CD1 4.09Å
751V88.1Confident83.8Confident32 Ų3258.4 Ų58.419%0.19434%0.341CS..Hα-helixtrans-61.9-44.1177.11740000111.7G747 S748 L754 Q755 I785 L789G747-V751 WeakPolarHBondContact O-CG2 3.48Å; G747-V751 PolarHBondContact O-N 3.48Å; S748-V751 PolarHBondContact O-N 3.49Å; V751-L754 PolarHBondContact O-N 3.09Å; V751-Q755 WeakPolarHBondContact O-CG 3.27Å; V751-Q755 PolarHBondContact O-N 2.57Å; V751-I785 HydrophobicContact CG2-CG2 3.68Å; V751-L789 HydrophobicContact CG1-CD1 4.28Å; V751-L789 HydrophobicContact CG2-CD1 3.76Å
752N87.3Confident83.3Confident89 Ų8960.5 Ų60.548%0.47635%0.354SS..Hα-helixtrans-62.5-45.5176.5-68.4-18.9000111S748 A749 F750 L754 Q755 E756S748-N752 PolarHBondContact O-N 3.11Å; S748-N752 VanDerWaalsContact O-N 3.12Å; S748-N752 PolarHBondContact O-ND2 3.19Å; A749-N752 PolarHBondContact O-N 3.25Å; F750-N752 PolarHBondContact O-N 3.1Å; N752-L754 VanDerWaalsContact C-N 3.33Å; N752-L754 PolarHBondContact O-N 2.71Å; N752-Q755 PolarHBondContact O-N 2.87Å; N752-E756 WeakPolarHBondContact O-CG 3.33Å; N752-E756 PolarHBondContact O-N 3.12Å
753W89.5Confident82.9Confident18 Ų1861.4 Ų61.47%0.06835%0.348CS..Hα-helixtrans-60.6-40.7176.6177.783.1000112.7A749 F750 E756 C757 C768 D769 L1048A749-W753 WeakPolarHBondContact O-CB 3.37Å; A749-W753 PolarHBondContact O-N 3.28Å; F750-W753 AromaticContact CD2-CE3 3.99Å; F750-W753 HydrophobicContact CD2-CE3 3.99Å; F750-W753 HydrophobicContact CD2-CZ3 4.37Å; F750-W753 AromaticContact CE2-CE3 3.78Å; F750-W753 HydrophobicContact CE2-CE3 3.78Å; F750-W753 AromaticContact CE2-CZ3 3.75Å; F750-W753 HydrophobicContact CE2-CZ3 3.75Å; F750-W753 PolarHBondContact O-N 3.14Å; W753-E756 PolarHBondContact O-N 2.92Å; W753-C757 WeakPolarHBondContact O-CB 3.38Å; W753-C757 PolarHBondContact O-N 3.38Å; W753-C757 PolarHBondContact O-SG 3.42Å; W753-C757 VanDerWaalsContact O-SG 3.41Å; W753-C768 HydrophobicContact CB-CB 4.06Å; W753-C768 HydrophobicContact CD2-CB 3.52Å; W753-C768 HydrophobicContact CE3-CB 4.11Å; W753-C768 HydrophobicContact CG-CB 3.48Å; W753-C768 VanDerWaalsContact CG-CB 3.48Å; W753-C768 HydrophobicContact CZ2-CB 4.47Å; W753-D769 PolarHBondContact NE1-OD1 2.8Å; W753-L1048 HydrophobicContact CH2-CD2 4.28Å
754L87.3Confident82.9Confident15 Ų1563.6 Ų63.68%0.07936%0.358CS..Hα-helixtrans-65.4-40.9176.8-174.565.7000111.7F750 V751 N752 C757 N758 E786 L789 Y1044F750-L754 HydrophobicContact CE1-CD2 4.35Å; F750-L754 WeakPolarHBondContact O-CB 3.16Å; F750-L754 PolarHBondContact O-N 3.4Å; V751-L754 PolarHBondContact O-N 3.09Å; N752-L754 VanDerWaalsContact C-N 3.33Å; N752-L754 PolarHBondContact O-N 2.71Å; L754-C757 PolarHBondContact O-N 3.47Å; L754-N758 PolarHBondContact O-N 3.28Å; L754-N758 VanDerWaalsContact O-N 3.09Å; L754-N758 PolarHBondContact O-ND2 3.48Å; L754-E786 HydrophobicContact CD2-CG 4.21Å; L754-L789 HydrophobicContact CD2-CD1 4.41Å; L754-Y1044 HydrophobicContact CD1-CD2 3.51Å; L754-Y1044 HydrophobicContact CD1-CE2 4.28Å; L754-Y1044 HydrophobicContact CD1-CG 4.1Å
755Q85.5Confident83.1Confident122 Ų12264.3 Ų64.357%0.5736%0.36SS*.Hα-helixtrans-63.2-42.5174.6-72.3176.95.200111.7V751 N752 N758 S759V751-Q755 WeakPolarHBondContact O-CG 3.27Å; V751-Q755 PolarHBondContact O-N 2.57Å; N752-Q755 PolarHBondContact O-N 2.87Å; Q755-N758 PolarHBondContact O-N 2.86Å; Q755-S759 WeakPolarHBondContact O-CB 3.38Å; Q755-S759 PolarHBondContact O-N 2.82Å; Q755-S759 PolarHBondContact O-OG 3.35Å
756E86Confident83.3Confident40 Ų4059.8 Ų59.819%0.18734%0.337CS..Hα-helixtrans-61.8-45.8175-73.7-179.6-157.600111.6N752 W753 N758 S759 G760 R763 F764N752-E756 WeakPolarHBondContact O-CG 3.33Å; N752-E756 PolarHBondContact O-N 3.12Å; W753-E756 PolarHBondContact O-N 2.92Å; E756-N758 VanDerWaalsContact C-N 3.27Å; E756-N758 PolarHBondContact O-N 3.27Å; E756-S759 PolarHBondContact O-N 3.12Å; E756-S759 PolarHBondContact O-OG 3.27Å; E756-G760 PolarHBondContact O-N 3.42Å; E756-R763 WeakPolarHBondContact OE2-CA 3.22Å; E756-F764 WeakPolarHBondContact OE1-CD2 3.4Å; E756-F764 PolarHBondContact OE2-N 2.86Å
757C84Confident83.7Confident12 Ų1260.4 Ų60.48%0.08134%0.34CS..Hα-helixtrans-55.3-40.2175.1-800000112.8W753 L754 R763 Y1044W753-C757 WeakPolarHBondContact O-CB 3.38Å; W753-C757 PolarHBondContact O-N 3.38Å; W753-C757 PolarHBondContact O-SG 3.42Å; W753-C757 VanDerWaalsContact O-SG 3.41Å; L754-C757 PolarHBondContact O-N 3.47Å; C757-R763 PolarHBondContact SG-NH2 3.17Å; C757-R763 VanDerWaalsContact SG-NH2 3.43Å; C757-Y1044 HydrophobicContact CB-CE1 4.25Å
758N83.6Confident83.9Confident108 Ų10860.1 Ų60.158%0.57834%0.337SS*.Hα-helixtrans-78.4-30.2179.1-72.1-33.7000113.6L754 Q755 E756 G760 Y1044L754-N758 PolarHBondContact O-N 3.28Å; L754-N758 VanDerWaalsContact O-N 3.09Å; L754-N758 PolarHBondContact O-ND2 3.48Å; Q755-N758 PolarHBondContact O-N 2.86Å; E756-N758 VanDerWaalsContact C-N 3.27Å; E756-N758 PolarHBondContact O-N 3.27Å; N758-G760 VanDerWaalsContact C-N 3.34Å; N758-G760 PolarHBondContact O-N 2.97Å; N758-Y1044 WeakPolarHBondContact OD1-CE2 3.41Å
759S83.2Confident84.1Confident83 Ų8359.9 Ų59.958%0.5833%0.331SS*.Hα-helixtrans-74.4-20.4-175.870.80000114.4Q755 E756 G761Q755-S759 WeakPolarHBondContact O-CB 3.38Å; Q755-S759 PolarHBondContact O-N 2.82Å; Q755-S759 PolarHBondContact O-OG 3.35Å; E756-S759 PolarHBondContact O-N 3.12Å; E756-S759 PolarHBondContact O-OG 3.27Å; S759-G761 PolarHBondContact O-N 3.27Å; S759-G761 VanDerWaalsContact O-N 3.14Å; S759-G761 PolarHBondContact OG-N 2.97Å
760G75.5Confident84.5Confident74 Ų7459.4 Ų59.476%0.76332%0.324SS*.  trans64.97.6-173.500000114.8E756 N758E756-G760 PolarHBondContact O-N 3.42Å; N758-G760 VanDerWaalsContact C-N 3.34Å; N758-G760 PolarHBondContact O-N 2.97Å
761G73.8Confident84.6Confident43 Ų4361.1 Ų61.144%0.44333%0.334SS..SBendtrans-81.6-167.9-177.100000114.7S759 R763S759-G761 PolarHBondContact O-N 3.27Å; S759-G761 VanDerWaalsContact O-N 3.14Å; S759-G761 PolarHBondContact OG-N 2.97Å; G761-R763 PolarHBondContact O-N 2.89Å
762M67.1Low84.8Confident168 Ų16860.3 Ų60.383%0.82833%0.328SS*.PPolyproline II helixtrans-61.5124.3172.3-70.8-176.768.300110.1
763R73Confident85.1Confident141 Ų14156 Ų5653%0.53231%0.306SS..PPolyproline II helixtrans-85.8132.1175.3-67.1-170.3179.9-157.7-2.6110.9E756 C757 G761 D769E756-R763 WeakPolarHBondContact OE2-CA 3.22Å; C757-R763 PolarHBondContact SG-NH2 3.17Å; C757-R763 VanDerWaalsContact SG-NH2 3.43Å; G761-R763 PolarHBondContact O-N 2.89Å; R763-D769 IonicContact NH1-OD1 3.71Å
764F81.3Confident85.3Confident145 Ų14555.4 Ų55.464%0.63630%0.303SS*.PPolyproline II helixtrans-88.8163.8169.4-65.1-79.6000110E756 S766E756-F764 WeakPolarHBondContact OE1-CD2 3.4Å; E756-F764 PolarHBondContact OE2-N 2.86Å; F764-S766 PolarHBondContact O-N 2.92Å
765F85.8Confident85.3Confident52 Ų5256.5 Ų56.523%0.22831%0.309CS..PPolyproline II helixtrans-58.7125.4175166.6-98.4000110.1E706 I709 R710 L713 F767 Y770E706-F765 HydrophobicContact CG-CB 4.17Å; E706-F765 HydrophobicContact CG-CD1 3.84Å; E706-F765 HydrophobicContact CG-CG 4.03Å; I709-F765 HydrophobicContact CG2-CE1 4.29Å; I709-F765 HydrophobicContact CG2-CE2 4.48Å; I709-F765 HydrophobicContact CG2-CZ 3.69Å; R710-F765 HydrophobicContact CB-CD2 4.08Å; R710-F765 HydrophobicContact CB-CE2 4.06Å; R710-F765 HydrophobicContact CG-CD2 4.24Å; R710-F765 HydrophobicContact CG-CE2 4.47Å; L713-F765 HydrophobicContact CD1-CE2 3.63Å; L713-F765 HydrophobicContact CD1-CZ 3.55Å; F765-F767 HydrophobicContact CE1-CD2 4.18Å; F765-F767 AromaticContact CE1-CE2 3.97Å; F765-F767 HydrophobicContact CE1-CE2 3.97Å; F765-F767 HydrophobicContact CE1-CZ 4.3Å; F765-F767 HydrophobicContact CZ-CD1 4.45Å; F765-F767 HydrophobicContact CZ-CD2 4.38Å; F765-F767 HydrophobicContact CZ-CE1 4.34Å; F765-F767 HydrophobicContact CZ-CE2 4.28Å; F765-F767 HydrophobicContact CZ-CG 4.47Å; F765-F767 HydrophobicContact CZ-CZ 4.25Å; F765-Y770 HydrophobicContact CE2-CE2 4.03Å
766S88.5Confident85.3Confident16 Ų1651.5 Ų51.511%0.11229%0.289CS..  trans-133141.2171.8-177.30000110.8F764 C768 D769F764-S766 PolarHBondContact O-N 2.92Å; S766-C768 PolarHBondContact O-N 3.07Å; S766-C768 WeakPolarHBondContact OG-CB 3.32Å; S766-C768 PolarHBondContact OG-N 3.34Å; S766-C768 VanDerWaalsContact OG-N 3.15Å; S766-D769 WeakPolarHBondContact O-CB 3.26Å; S766-D769 PolarHBondContact O-N 2.85Å; S766-D769 VanDerWaalsContact O-N 3.16Å
767F91.2Very high85.2Confident20 Ų2051 Ų519%0.08829%0.292CS..G310 helixtrans-60.3-27.3169.3-74.4-84.4000111.6I687 L691 I709 L713 L737 L740 I744 F765 D769 Y770 F774I687-F767 HydrophobicContact CG2-CE1 4.17Å; L691-F767 HydrophobicContact CD1-CZ 4.24Å; L691-F767 HydrophobicContact CD2-CZ 4.3Å; I709-F767 HydrophobicContact CG2-CE1 3.96Å; I709-F767 HydrophobicContact CG2-CZ 3.87Å; L713-F767 HydrophobicContact CD1-CD1 3.92Å; L713-F767 HydrophobicContact CD1-CE1 3.89Å; L737-F767 HydrophobicContact CD1-CE1 4.35Å; L740-F767 HydrophobicContact CD1-CD1 4.06Å; L740-F767 HydrophobicContact CD1-CD2 4.28Å; L740-F767 HydrophobicContact CD1-CE1 3.93Å; L740-F767 HydrophobicContact CD1-CE2 4.15Å; L740-F767 HydrophobicContact CD1-CG 4.24Å; L740-F767 HydrophobicContact CD1-CZ 3.97Å; L740-F767 HydrophobicContact CD2-CB 4.35Å; L740-F767 HydrophobicContact CD2-CD1 4.13Å; L740-F767 HydrophobicContact CD2-CG 4.25Å; I744-F767 HydrophobicContact CD1-CB 4.42Å; I744-F767 HydrophobicContact CD1-CD2 3.82Å; I744-F767 HydrophobicContact CD1-CE2 4.41Å; I744-F767 HydrophobicContact CD1-CG 4.27Å; I744-F767 HydrophobicContact CG2-CE2 4.45Å; F765-F767 HydrophobicContact CE1-CD2 4.18Å; F765-F767 AromaticContact CE1-CE2 3.97Å; F765-F767 HydrophobicContact CE1-CE2 3.97Å; F765-F767 HydrophobicContact CE1-CZ 4.3Å; F765-F767 HydrophobicContact CZ-CD1 4.45Å; F765-F767 HydrophobicContact CZ-CD2 4.38Å; F765-F767 HydrophobicContact CZ-CE1 4.34Å; F765-F767 HydrophobicContact CZ-CE2 4.28Å; F765-F767 HydrophobicContact CZ-CG 4.47Å; F765-F767 HydrophobicContact CZ-CZ 4.25Å; F767-D769 PolarHBondContact O-N 3.36Å; F767-Y770 CarbonylContact O-C 3.58Å; F767-Y770 WeakPolarHBondContact O-CA 3.28Å; F767-Y770 PolarHBondContact O-N 2.95Å; F767-F774 HydrophobicContact CB-CE2 4.23Å; F767-F774 HydrophobicContact CB-CZ 3.62Å; F767-F774 VanDerWaalsContact O-CE2 3.28Å; F767-F774 WeakPolarHBondContact O-CE2 3.19Å
768C89.4Confident85.4Confident3 Ų351 Ų512%0.0229%0.291CS..G310 helixtrans-63.2-17.6177.1-60.60000113.7W753 S766 Y770W753-C768 HydrophobicContact CB-CB 4.06Å; W753-C768 HydrophobicContact CD2-CB 3.52Å; W753-C768 HydrophobicContact CE3-CB 4.11Å; W753-C768 HydrophobicContact CG-CB 3.48Å; W753-C768 VanDerWaalsContact CG-CB 3.48Å; W753-C768 HydrophobicContact CZ2-CB 4.47Å; S766-C768 PolarHBondContact O-N 3.07Å; S766-C768 WeakPolarHBondContact OG-CB 3.32Å; S766-C768 PolarHBondContact OG-N 3.34Å; S766-C768 VanDerWaalsContact OG-N 3.15Å; C768-Y770 PolarHBondContact O-N 3.07Å
769D90.2Very high85.7Confident50 Ų5045.8 Ų45.827%0.26726%0.264SS..G310 helixtrans-73.2-7.4170.7-63.2-44.2000113.1W753 R763 S766 F767W753-D769 PolarHBondContact NE1-OD1 2.8Å; R763-D769 IonicContact NH1-OD1 3.71Å; S766-D769 WeakPolarHBondContact O-CB 3.26Å; S766-D769 PolarHBondContact O-N 2.85Å; S766-D769 VanDerWaalsContact O-N 3.16Å; F767-D769 PolarHBondContact O-N 3.36Å
770Y94.1Very high85.8Confident17 Ų1741.9 Ų41.97%0.06724%0.237CC..  trans-124.469.5-179.6-59.6-84.8000111L713 E714 K717 F765 F767 C768 F772 V773L713-Y770 HydrophobicContact CB-CD1 3.89Å; L713-Y770 HydrophobicContact CB-CD2 4.08Å; L713-Y770 HydrophobicContact CB-CE1 3.78Å; L713-Y770 HydrophobicContact CB-CE2 3.97Å; L713-Y770 HydrophobicContact CB-CG 4.04Å; L713-Y770 HydrophobicContact CD1-CD2 3.83Å; L713-Y770 HydrophobicContact CD1-CE2 4.01Å; L713-Y770 HydrophobicContact CD1-CG 4.34Å; L713-Y770 HydrophobicContact CD2-CG 4.31Å; L713-Y770 HydrophobicContact CG-CD2 4.4Å; L713-Y770 HydrophobicContact CG-CG 4.48Å; E714-Y770 PolarHBondContact OE2-OH 3.13Å; K717-Y770 HydrophobicContact CB-CD1 4.11Å; K717-Y770 HydrophobicContact CB-CE1 4.18Å; K717-Y770 HydrophobicContact CD-CD1 4.06Å; K717-Y770 HydrophobicContact CD-CE1 3.88Å; F765-Y770 HydrophobicContact CE2-CE2 4.03Å; F767-Y770 CarbonylContact O-C 3.58Å; F767-Y770 WeakPolarHBondContact O-CA 3.28Å; F767-Y770 PolarHBondContact O-N 2.95Å; C768-Y770 PolarHBondContact O-N 3.07Å; Y770-F772 AromaticContact CD1-CE1 3.9Å; Y770-F772 HydrophobicContact CD1-CE1 3.9Å; Y770-F772 AromaticContact CD1-CZ 3.79Å; Y770-F772 HydrophobicContact CD1-CZ 3.79Å; Y770-F772 HydrophobicContact CG-CE1 4.44Å; Y770-F772 HydrophobicContact CG-CZ 4.34Å; Y770-F772 PolarHBondContact O-N 3.05Å; Y770-F772 VanDerWaalsContact O-N 3.08Å; Y770-V773 WeakPolarHBondContact O-CG2 3.33Å; Y770-V773 PolarHBondContact O-N 3.37Å; Y770-V773 VanDerWaalsContact O-N 3.12Å
771P91.8Very high86.3Confident35 Ų3542.5 Ų42.523%0.22722%0.22CC..G310 helixtrans-60.2-29.2-168.2-23.333.8000114.7V773 F774 K779 L1048P771-V773 PolarHBondContact O-N 3.42Å; P771-V773 VanDerWaalsContact O-N 3.12Å; P771-F774 PolarHBondContact O-N 3.41Å; P771-F774 VanDerWaalsContact O-N 3.14Å; P771-K779 WeakPolarHBondContact O-CE 3.44Å; P771-K779 PolarHBondContact O-NZ 3.43Å; P771-L1048 HydrophobicContact CB-CB 4.06Å; P771-L1048 HydrophobicContact CB-CD2 3.93Å; P771-L1048 HydrophobicContact CG-CD2 3.58Å
772F93.2Very high87Confident15 Ų1540.5 Ų40.57%0.06620%0.199CC..G310 helixtrans-64.5-11.8179.960.6-96.4000114.4M716 K717 H720 F735 Y736 Y770M716-F772 HydrophobicContact CB-CE2 4.06Å; M716-F772 HydrophobicContact CB-CZ 4.41Å; M716-F772 HydrophobicContact CG-CD2 4.47Å; M716-F772 HydrophobicContact CG-CE2 3.69Å; M716-F772 HydrophobicContact CG-CZ 4.48Å; M716-F772 HydrophobicContact SD-CD2 4.44Å; M716-F772 HydrophobicContact SD-CE2 3.81Å; K717-F772 HydrophobicContact CB-CE1 3.58Å; K717-F772 HydrophobicContact CB-CZ 3.61Å; K717-F772 HydrophobicContact CG-CE1 3.82Å; K717-F772 HydrophobicContact CG-CZ 4.37Å; H720-F772 HydrophobicContact CB-CD1 4.37Å; H720-F772 HydrophobicContact CB-CD2 4.48Å; H720-F772 HydrophobicContact CB-CG 4.26Å; H720-F772 WeakPolarHBondContact CD2-CB 3.47Å; H720-F772 AromaticContact CD2-CG 3.71Å; H720-F772 AromaticContact CG-CG 3.95Å; H720-F772 WeakPolarHBondContact NE2-CB 3.45Å; F735-F772 HydrophobicContact CB-CD2 4.17Å; F735-F772 HydrophobicContact CD1-CD2 4.19Å; Y736-F772 WeakPolarHBondContact CD1-O 3.47Å; Y770-F772 AromaticContact CD1-CE1 3.9Å; Y770-F772 HydrophobicContact CD1-CE1 3.9Å; Y770-F772 AromaticContact CD1-CZ 3.79Å; Y770-F772 HydrophobicContact CD1-CZ 3.79Å; Y770-F772 HydrophobicContact CG-CE1 4.44Å; Y770-F772 HydrophobicContact CG-CZ 4.34Å; Y770-F772 PolarHBondContact O-N 3.05Å; Y770-F772 VanDerWaalsContact O-N 3.08Å
773V93.6Very high87.9Confident0 Ų032.7 Ų32.70%016%0.16CC..G310 helixtrans-84-15.7176.2-51.70000113.1L713 M716 Y736 L737 L740 Y770 P771L713-V773 HydrophobicContact CD2-CG1 3.64Å; M716-V773 HydrophobicContact SD-CG1 4.29Å; Y736-V773 CarbonylContact C-O 3.42Å; Y736-V773 WeakPolarHBondContact CA-O 3.43Å; L737-V773 HydrophobicContact CB-CB 4.37Å; L737-V773 HydrophobicContact CD1-CB 3.83Å; L737-V773 HydrophobicContact CD1-CG1 4.11Å; L737-V773 HydrophobicContact CD1-CG2 4.22Å; L737-V773 HydrophobicContact CG-CB 3.99Å; L737-V773 HydrophobicContact CG-CG1 4.44Å; L737-V773 PolarHBondContact N-O 3.45Å; L740-V773 HydrophobicContact CD2-CG2 4.14Å; Y770-V773 WeakPolarHBondContact O-CG2 3.33Å; Y770-V773 PolarHBondContact O-N 3.37Å; Y770-V773 VanDerWaalsContact O-N 3.12Å; P771-V773 PolarHBondContact O-N 3.42Å; P771-V773 VanDerWaalsContact O-N 3.12Å
774F92.7Very high88.5Confident5 Ų528.3 Ų28.32%0.02215%0.147CC..SBendtrans-92.5137178.4-61.3-78000110Y736 L740 I746 F767 P771 K779 M782Y736-F774 WeakPolarHBondContact CD1-O 3.41Å; Y736-F774 VanDerWaalsContact CE1-O 3.26Å; Y736-F774 WeakPolarHBondContact CE1-O 3.08Å; L740-F774 HydrophobicContact CD2-CD1 3.96Å; L740-F774 HydrophobicContact CD2-CE1 3.41Å; L740-F774 VanDerWaalsContact CD2-CE1 3.41Å; L740-F774 HydrophobicContact CD2-CZ 3.96Å; L740-F774 HydrophobicContact CG-CE1 4.48Å; I746-F774 HydrophobicContact CG2-CE1 4.45Å; F767-F774 HydrophobicContact CB-CE2 4.23Å; F767-F774 HydrophobicContact CB-CZ 3.62Å; F767-F774 VanDerWaalsContact O-CE2 3.28Å; F767-F774 WeakPolarHBondContact O-CE2 3.19Å; P771-F774 PolarHBondContact O-N 3.41Å; P771-F774 VanDerWaalsContact O-N 3.14Å; F774-K779 HydrophobicContact CB-CD 4.49Å; F774-K779 HydrophobicContact CB-CG 3.9Å; F774-K779 WeakPolarHBondContact O-CE 3.45Å; F774-K779 PolarHBondContact O-NZ 2.9Å; F774-M782 HydrophobicContact CD1-CE 3.49Å; F774-M782 VanDerWaalsContact CD1-CE 3.49Å; F774-M782 HydrophobicContact CD2-CE 3.9Å; F774-M782 HydrophobicContact CE1-CE 3.38Å; F774-M782 HydrophobicContact CE2-CE 3.8Å; F774-M782 HydrophobicContact CG-CE 3.74Å; F774-M782 HydrophobicContact CZ-CE 3.54Å
775D88.6Confident88.7Confident37 Ų3722.1 Ų22.120%0.19812%0.121CC..  trans-71.6167.5168.162.69.8000111.1Y736 A777 S778 K779Y736-D775 HydrophobicContact CD2-CB 3.69Å; Y736-D775 HydrophobicContact CE2-CB 3.98Å; Y736-D775 HydrophobicContact CG-CB 4.08Å; D775-A777 PolarHBondContact O-N 3.35Å; D775-S778 PolarHBondContact O-N 3.16Å; D775-S778 WeakPolarHBondContact OD1-CB 3.4Å; D775-S778 PolarHBondContact OD1-N 2.88Å; D775-S778 PolarHBondContact OD1-OG 2.94Å; D775-K779 WeakPolarHBondContact O-CG 3.46Å; D775-K779 PolarHBondContact O-N 3.36Å; D775-K779 VanDerWaalsContact O-N 3.14Å
776A85.6Confident88.8Confident17 Ų1720.4 Ų20.414%0.1411%0.113CC..Hα-helixtrans-60.2-32.5-178.300000112.7K779 A780 E1053 I1117A776-K779 PolarHBondContact O-N 3.09Å; A776-A780 WeakPolarHBondContact O-CB 3.37Å; A776-A780 PolarHBondContact O-N 3.25Å; A776-E1053 HydrophobicContact CB-CB 3.97Å; A776-E1053 HydrophobicContact CB-CG 3.93Å; A776-I1117 HydrophobicContact CB-CD1 3.84Å; A776-I1117 HydrophobicContact CB-CG2 3.75Å
777A83.5Confident88.5Confident30 Ų3019.7 Ų19.725%0.24811%0.109CC..Hα-helixtrans-67.9-44178.600000112.1D775 K779 A780 E781 I1117D775-A777 PolarHBondContact O-N 3.35Å; A777-K779 VanDerWaalsContact C-N 3.32Å; A777-K779 PolarHBondContact O-N 2.84Å; A777-A780 WeakPolarHBondContact O-CB 3.26Å; A777-A780 PolarHBondContact O-N 3Å; A777-E781 PolarHBondContact O-N 3.44Å; A777-I1117 HydrophobicContact CB-CG2 4Å
778S87.5Confident88.1Confident11 Ų1125.6 Ų25.68%0.07713%0.131CC..Hα-helixtrans-62.8-40.2175.5-58.80000111.4D775 E781 M782D775-S778 PolarHBondContact O-N 3.16Å; D775-S778 WeakPolarHBondContact OD1-CB 3.4Å; D775-S778 PolarHBondContact OD1-N 2.88Å; D775-S778 PolarHBondContact OD1-OG 2.94Å; S778-E781 WeakPolarHBondContact O-CB 3.31Å; S778-E781 PolarHBondContact O-N 3.05Å; S778-M782 WeakPolarHBondContact O-CG 3.45Å; S778-M782 PolarHBondContact O-N 3.31Å
779K89.9Confident87.9Confident0 Ų027.5 Ų27.50%014%0.14CC..Hα-helixtrans-67.3-38.5176.4-66.7168.8178.91690111.9P771 F774 D775 A776 A777 E781 M782 L783 L1048 F1049 E1053P771-K779 WeakPolarHBondContact O-CE 3.44Å; P771-K779 PolarHBondContact O-NZ 3.43Å; F774-K779 HydrophobicContact CB-CD 4.49Å; F774-K779 HydrophobicContact CB-CG 3.9Å; F774-K779 WeakPolarHBondContact O-CE 3.45Å; F774-K779 PolarHBondContact O-NZ 2.9Å; D775-K779 WeakPolarHBondContact O-CG 3.46Å; D775-K779 PolarHBondContact O-N 3.36Å; D775-K779 VanDerWaalsContact O-N 3.14Å; A776-K779 PolarHBondContact O-N 3.09Å; A777-K779 VanDerWaalsContact C-N 3.32Å; A777-K779 PolarHBondContact O-N 2.84Å; K779-E781 VanDerWaalsContact C-N 3.32Å; K779-M782 WeakPolarHBondContact O-CB 3.35Å; K779-M782 PolarHBondContact O-N 3.12Å; K779-L783 PolarHBondContact O-N 3.35Å; K779-L1048 WeakPolarHBondContact CD-O 3.22Å; K779-L1048 WeakPolarHBondContact CE-O 3.28Å; K779-L1048 PolarHBondContact NZ-O 3.23Å; K779-F1049 HydrophobicContact CB-CD1 4.05Å; K779-F1049 HydrophobicContact CB-CD2 4.39Å; K779-F1049 HydrophobicContact CB-CE1 3.54Å; K779-F1049 HydrophobicContact CB-CE2 3.92Å; K779-F1049 HydrophobicContact CB-CG 4.46Å; K779-F1049 HydrophobicContact CB-CZ 3.49Å; K779-F1049 VanDerWaalsContact CB-CZ 3.49Å; K779-F1049 HydrophobicContact CD-CD1 4.31Å; K779-F1049 HydrophobicContact CD-CG 4.49Å; K779-F1049 WeakPolarHBondContact O-CZ 3.46Å; K779-E1053 VanDerWaalsContact CD-OE2 3.32Å; K779-E1053 WeakPolarHBondContact CD-OE2 3.4Å; K779-E1053 IonicContact NZ-OE1 2.75Å; K779-E1053 PolarHBondContact NZ-OE1 3.03Å; K779-E1053 IonicContact NZ-OE2 3.94Å; K779-E1053 PolarHBondContact NZ-OE2 2.87Å
780A85.5Confident87.6Confident1 Ų126.4 Ų26.41%0.00814%0.136CC..Hα-helixtrans-61.6-41.217300000111.5A776 A777 L783 N784 L1057 V1118A776-A780 WeakPolarHBondContact O-CB 3.37Å; A776-A780 PolarHBondContact O-N 3.25Å; A777-A780 WeakPolarHBondContact O-CB 3.26Å; A777-A780 PolarHBondContact O-N 3Å; A780-L783 PolarHBondContact O-N 3.33Å; A780-N784 WeakPolarHBondContact O-CB 3.16Å; A780-N784 VanDerWaalsContact O-CG 3.32Å; A780-N784 PolarHBondContact O-N 3.34Å; A780-N784 PolarHBondContact O-ND2 3.21Å; A780-L1057 HydrophobicContact CB-CD1 3.61Å; A780-V1118 HydrophobicContact CB-CG2 3.87Å
781E85.1Confident86.9Confident87 Ų8726.7 Ų26.741%0.40714%0.138SC..Hα-helixtrans-61.2-45.6173.1-168.9-172.2167.500111.7A777 S778 K779 L783 N784 I785A777-E781 PolarHBondContact O-N 3.44Å; S778-E781 WeakPolarHBondContact O-CB 3.31Å; S778-E781 PolarHBondContact O-N 3.05Å; K779-E781 VanDerWaalsContact C-N 3.32Å; E781-L783 PolarHBondContact O-N 2.98Å; E781-N784 PolarHBondContact O-N 3.16Å; E781-I785 HydrophobicContact CG-CD1 4.12Å; E781-I785 VanDerWaalsContact O-CG1 3.27Å; E781-I785 WeakPolarHBondContact O-CG1 3.09Å; E781-I785 PolarHBondContact O-N 3.36Å
782M88.5Confident86.5Confident0 Ų030 Ų300%015%0.15CC..Hα-helixtrans-58.9-45.4175.9-67.6173.9-17400112.1I746 F750 F774 S778 K779 N784 I785 E786 L1048I746-M782 HydrophobicContact CG2-CE 3.38Å; I746-M782 HydrophobicContact CG2-CG 4.1Å; F750-M782 HydrophobicContact CB-CG 4.06Å; F750-M782 HydrophobicContact CD1-CB 4.06Å; F750-M782 HydrophobicContact CD1-CG 4.3Å; F750-M782 HydrophobicContact CD2-CB 3.9Å; F750-M782 HydrophobicContact CD2-CG 3.78Å; F750-M782 HydrophobicContact CD2-SD 3.86Å; F750-M782 HydrophobicContact CE1-CB 4.17Å; F750-M782 VanDerWaalsContact CE1-O 3.25Å; F750-M782 WeakPolarHBondContact CE1-O 3.32Å; F750-M782 HydrophobicContact CE2-CB 4.02Å; F750-M782 HydrophobicContact CE2-CG 4.37Å; F750-M782 HydrophobicContact CE2-SD 4.41Å; F750-M782 HydrophobicContact CG-CB 3.94Å; F750-M782 HydrophobicContact CG-CG 3.76Å; F750-M782 HydrophobicContact CG-SD 4.39Å; F750-M782 HydrophobicContact CZ-CB 4.17Å; F774-M782 HydrophobicContact CD1-CE 3.49Å; F774-M782 VanDerWaalsContact CD1-CE 3.49Å; F774-M782 HydrophobicContact CD2-CE 3.9Å; F774-M782 HydrophobicContact CE1-CE 3.38Å; F774-M782 HydrophobicContact CE2-CE 3.8Å; F774-M782 HydrophobicContact CG-CE 3.74Å; F774-M782 HydrophobicContact CZ-CE 3.54Å; S778-M782 WeakPolarHBondContact O-CG 3.45Å; S778-M782 PolarHBondContact O-N 3.31Å; K779-M782 WeakPolarHBondContact O-CB 3.35Å; K779-M782 PolarHBondContact O-N 3.12Å; M782-N784 VanDerWaalsContact C-N 3.35Å; M782-N784 PolarHBondContact O-N 2.88Å; M782-I785 PolarHBondContact O-N 2.6Å; M782-E786 PolarHBondContact O-N 3.2Å; M782-L1048 HydrophobicContact SD-CD1 3.75Å
783L87.8Confident85.9Confident5 Ų535 Ų353%0.02617%0.174CC..Hα-helixtrans-61.1-44.2176.9-173150.4000111.3K779 A780 E781 I785 E786 A787 I923 Y924 F1049 L1057K779-L783 PolarHBondContact O-N 3.35Å; A780-L783 PolarHBondContact O-N 3.33Å; E781-L783 PolarHBondContact O-N 2.98Å; L783-I785 VanDerWaalsContact C-N 3.3Å; L783-I785 PolarHBondContact O-N 3.23Å; L783-E786 PolarHBondContact O-N 3.5Å; L783-A787 VanDerWaalsContact O-CB 3.31Å; L783-A787 WeakPolarHBondContact O-CB 3.48Å; L783-A787 PolarHBondContact O-N 3.34Å; L783-I923 HydrophobicContact CD1-CG2 4.1Å; L783-I923 HydrophobicContact CD2-CG2 3.39Å; L783-I923 HydrophobicContact CG-CG2 4.43Å; L783-Y924 HydrophobicContact CD2-CD2 4.22Å; L783-Y924 HydrophobicContact CD2-CE2 4.34Å; L783-F1049 HydrophobicContact CB-CE2 4.2Å; L783-F1049 HydrophobicContact CB-CZ 4.3Å; L783-F1049 HydrophobicContact CD1-CE2 3.81Å; L783-F1049 HydrophobicContact CD1-CZ 4.21Å; L783-L1057 HydrophobicContact CD1-CD2 4.05Å
784N84.2Confident85.3Confident48 Ų4835.8 Ų35.826%0.25718%0.18SC..Hα-helixtrans-63.2-35.9176.2-76-23.8000112.2A780 E781 M782 R788A780-N784 WeakPolarHBondContact O-CB 3.16Å; A780-N784 VanDerWaalsContact O-CG 3.32Å; A780-N784 PolarHBondContact O-N 3.34Å; A780-N784 PolarHBondContact O-ND2 3.21Å; E781-N784 PolarHBondContact O-N 3.16Å; M782-N784 VanDerWaalsContact C-N 3.35Å; M782-N784 PolarHBondContact O-N 2.88Å; N784-R788 VanDerWaalsContact O-CB 3.31Å; N784-R788 WeakPolarHBondContact O-CB 3.33Å; N784-R788 PolarHBondContact O-N 3.31Å
785I86.2Confident84.4Confident16 Ų1637.6 Ų37.68%0.08219%0.189CC..Hα-helixtrans-67.2-46.3174.8-69.8168.9000110.9F750 V751 E781 M782 L783 R788 L789F750-I785 HydrophobicContact CD1-CB 4.32Å; F750-I785 HydrophobicContact CD1-CG2 4.05Å; F750-I785 HydrophobicContact CE1-CG2 4.43Å; V751-I785 HydrophobicContact CG2-CG2 3.68Å; E781-I785 HydrophobicContact CG-CD1 4.12Å; E781-I785 VanDerWaalsContact O-CG1 3.27Å; E781-I785 WeakPolarHBondContact O-CG1 3.09Å; E781-I785 PolarHBondContact O-N 3.36Å; M782-I785 PolarHBondContact O-N 2.6Å; L783-I785 VanDerWaalsContact C-N 3.3Å; L783-I785 PolarHBondContact O-N 3.23Å; I785-R788 PolarHBondContact O-N 2.96Å; I785-L789 HydrophobicContact CG2-CD1 4.08Å; I785-L789 HydrophobicContact CG2-CG 4.47Å; I785-L789 WeakPolarHBondContact O-CB 3.48Å; I785-L789 WeakPolarHBondContact O-CG 3.29Å; I785-L789 PolarHBondContact O-N 3.42Å
786E87.1Confident83.9Confident15 Ų1538.2 Ų38.27%0.0720%0.196CC..Hα-helixtrans-60.2-46.1175.4-174.5174.2-159.900111F750 L754 M782 L783 R788 L789 T790 G1043 Y1044 S1045F750-E786 HydrophobicContact CE1-CB 3.97Å; F750-E786 HydrophobicContact CZ-CB 4.19Å; L754-E786 HydrophobicContact CD2-CG 4.21Å; M782-E786 PolarHBondContact O-N 3.2Å; L783-E786 PolarHBondContact O-N 3.5Å; E786-R788 PolarHBondContact O-N 3.26Å; E786-L789 PolarHBondContact O-N 2.94Å; E786-T790 VanDerWaalsContact O-CB 3.29Å; E786-T790 WeakPolarHBondContact O-CB 3.4Å; E786-T790 PolarHBondContact O-N 3.21Å; E786-T790 PolarHBondContact O-OG1 2.86Å; E786-G1043 VanDerWaalsContact OE1-CA 3.22Å; E786-G1043 WeakPolarHBondContact OE1-CA 3.39Å; E786-Y1044 PolarHBondContact OE1-N 2.69Å; E786-Y1044 PolarHBondContact OE2-N 3.45Å; E786-S1045 WeakPolarHBondContact OE2-CB 3.29Å; E786-S1045 PolarHBondContact OE2-N 3.22Å; E786-S1045 PolarHBondContact OE2-OG 3.25Å
787A82.8Confident83.5Confident2 Ų243.2 Ų43.22%0.01722%0.217CC..Hα-helixtrans-57.1-50176.800000110.9L783 L789 T790 M791 Y924L783-A787 VanDerWaalsContact O-CB 3.31Å; L783-A787 WeakPolarHBondContact O-CB 3.48Å; L783-A787 PolarHBondContact O-N 3.34Å; A787-L789 PolarHBondContact O-N 3.12Å; A787-T790 PolarHBondContact O-N 3.12Å; A787-M791 WeakPolarHBondContact O-CB 3.43Å; A787-M791 VanDerWaalsContact O-CG 3.28Å; A787-M791 WeakPolarHBondContact O-CG 3.32Å; A787-M791 PolarHBondContact O-N 3.45Å; A787-Y924 HydrophobicContact CB-CD1 4.26Å; A787-Y924 HydrophobicContact CB-CD2 3.51Å; A787-Y924 HydrophobicContact CB-CE1 4.29Å; A787-Y924 HydrophobicContact CB-CE2 3.5Å; A787-Y924 VanDerWaalsContact CB-CE2 3.5Å; A787-Y924 HydrophobicContact CB-CG 3.89Å
788R83.4Confident83.1Confident144 Ų14442 Ų4254%0.54321%0.207SC..Hα-helixtrans-63.2-42.6178.9-175178.265.5174.2-2.6112.7N784 I785 E786 T790 M791 Q792N784-R788 VanDerWaalsContact O-CB 3.31Å; N784-R788 WeakPolarHBondContact O-CB 3.33Å; N784-R788 PolarHBondContact O-N 3.31Å; I785-R788 PolarHBondContact O-N 2.96Å; E786-R788 PolarHBondContact O-N 3.26Å; R788-T790 VanDerWaalsContact C-N 3.33Å; R788-M791 PolarHBondContact O-N 3.29Å; R788-Q792 WeakPolarHBondContact O-CB 3.42Å; R788-Q792 VanDerWaalsContact O-CG 3.28Å; R788-Q792 WeakPolarHBondContact O-CG 3.3Å; R788-Q792 PolarHBondContact O-N 2.95Å
789L84Confident82.4Confident42 Ų4246.3 Ų46.322%0.2223%0.225CC..Hα-helixtrans-63.9-42.4176.9-75176000111.2V751 L754 I785 E786 A787 Q792 Q793V751-L789 HydrophobicContact CG1-CD1 4.28Å; V751-L789 HydrophobicContact CG2-CD1 3.76Å; L754-L789 HydrophobicContact CD2-CD1 4.41Å; I785-L789 HydrophobicContact CG2-CD1 4.08Å; I785-L789 HydrophobicContact CG2-CG 4.47Å; I785-L789 WeakPolarHBondContact O-CB 3.48Å; I785-L789 WeakPolarHBondContact O-CG 3.29Å; I785-L789 PolarHBondContact O-N 3.42Å; E786-L789 PolarHBondContact O-N 2.94Å; A787-L789 PolarHBondContact O-N 3.12Å; L789-Q792 PolarHBondContact O-N 2.65Å; L789-Q793 WeakPolarHBondContact O-CB 3.33Å; L789-Q793 VanDerWaalsContact O-CG 3.29Å; L789-Q793 WeakPolarHBondContact O-CG 3.48Å; L789-Q793 PolarHBondContact O-N 3.48Å
790T83.6Confident81.6Confident28 Ų2852 Ų5217%0.17225%0.252CS..Hα-helixtrans-63.8-42.4176.6-54.90000110.9E786 A787 R788 Q793 A794 K852E786-T790 VanDerWaalsContact O-CB 3.29Å; E786-T790 WeakPolarHBondContact O-CB 3.4Å; E786-T790 PolarHBondContact O-N 3.21Å; E786-T790 PolarHBondContact O-OG1 2.86Å; A787-T790 PolarHBondContact O-N 3.12Å; R788-T790 VanDerWaalsContact C-N 3.33Å; T790-Q793 PolarHBondContact O-N 3.12Å; T790-A794 WeakPolarHBondContact O-CB 3.4Å; T790-A794 PolarHBondContact O-N 2.89Å; T790-K852 HydrophobicContact CG2-CB 4.05Å; T790-K852 HydrophobicContact CG2-CD 3.58Å; T790-K852 HydrophobicContact CG2-CG 3.93Å
791M80.8Confident81Confident22 Ų2254.5 Ų54.511%0.10827%0.269CS..Hα-helixtrans-61.8-46.3174.1-72.4174.2-173.900112.5A787 R788 Q793 A794 M795 K852 Y924A787-M791 WeakPolarHBondContact O-CB 3.43Å; A787-M791 VanDerWaalsContact O-CG 3.28Å; A787-M791 WeakPolarHBondContact O-CG 3.32Å; A787-M791 PolarHBondContact O-N 3.45Å; R788-M791 PolarHBondContact O-N 3.29Å; M791-Q793 VanDerWaalsContact C-N 3.32Å; M791-Q793 PolarHBondContact O-N 3.2Å; M791-A794 PolarHBondContact O-N 3.41Å; M791-M795 WeakPolarHBondContact O-CB 3.25Å; M791-M795 VanDerWaalsContact O-CG 3.22Å; M791-M795 WeakPolarHBondContact O-CG 3.49Å; M791-M795 PolarHBondContact O-N 3.13Å; M791-K852 WeakPolarHBondContact CA-O 3.43Å; M791-K852 WeakPolarHBondContact CG-O 3.27Å; M791-Y924 HydrophobicContact CE-CD1 3.78Å; M791-Y924 HydrophobicContact CE-CG 4.1Å
792Q81.9Confident80.3Confident106 Ų10651.8 Ų51.850%0.49526%0.262SS..Hα-helixtrans-62.3-40.5177.1-74.9175.8-800112R788 L789 S796R788-Q792 WeakPolarHBondContact O-CB 3.42Å; R788-Q792 VanDerWaalsContact O-CG 3.28Å; R788-Q792 WeakPolarHBondContact O-CG 3.3Å; R788-Q792 PolarHBondContact O-N 2.95Å; L789-Q792 PolarHBondContact O-N 2.65Å; Q792-S796 VanDerWaalsContact O-CB 3.3Å; Q792-S796 WeakPolarHBondContact O-CB 3.43Å; Q792-S796 PolarHBondContact O-N 2.69Å
793Q82.1Confident79.3Confident120 Ų12056.5 Ų56.556%0.56129%0.286SS*.Hα-helixtrans-64.4-46174.9-73.9175.6-0.700111.7L789 T790 M791 M795 S796 Q797L789-Q793 WeakPolarHBondContact O-CB 3.33Å; L789-Q793 VanDerWaalsContact O-CG 3.29Å; L789-Q793 WeakPolarHBondContact O-CG 3.48Å; L789-Q793 PolarHBondContact O-N 3.48Å; T790-Q793 PolarHBondContact O-N 3.12Å; M791-Q793 VanDerWaalsContact C-N 3.32Å; M791-Q793 PolarHBondContact O-N 3.2Å; Q793-M795 PolarHBondContact O-N 2.99Å; Q793-S796 PolarHBondContact O-N 3.45Å; Q793-Q797 WeakPolarHBondContact O-CB 3.47Å; Q793-Q797 VanDerWaalsContact O-CG 3.26Å; Q793-Q797 WeakPolarHBondContact O-CG 3.34Å; Q793-Q797 PolarHBondContact O-N 3.42Å
794A80.7Confident78.4Confident15 Ų1562.7 Ų62.712%0.12431%0.313CS..Hα-helixtrans-62.4-42177.300000112T790 M791 Q797 A798 K852 K853T790-A794 WeakPolarHBondContact O-CB 3.4Å; T790-A794 PolarHBondContact O-N 2.89Å; M791-A794 PolarHBondContact O-N 3.41Å; A794-Q797 PolarHBondContact O-N 2.92Å; A794-A798 VanDerWaalsContact O-CB 3.27Å; A794-A798 WeakPolarHBondContact O-CB 3.4Å; A794-A798 PolarHBondContact O-N 3.4Å; A794-K852 HydrophobicContact CB-CB 4.28Å; A794-K853 HydrophobicContact CB-CG 4.33Å
795M73.6Confident77.5Confident44 Ų4465.3 Ų65.322%0.21732%0.324CS..Hα-helixtrans-64.6-45.9175-71.5174.781.900111.8M791 Q793 Q797 A798 Q799 P824M791-M795 WeakPolarHBondContact O-CB 3.25Å; M791-M795 VanDerWaalsContact O-CG 3.22Å; M791-M795 WeakPolarHBondContact O-CG 3.49Å; M791-M795 PolarHBondContact O-N 3.13Å; Q793-M795 PolarHBondContact O-N 2.99Å; M795-Q797 VanDerWaalsContact C-N 3.33Å; M795-Q797 PolarHBondContact O-N 2.87Å; M795-A798 PolarHBondContact O-N 2.79Å; M795-Q799 WeakPolarHBondContact O-CB 3.37Å; M795-Q799 VanDerWaalsContact O-CG 3.28Å; M795-Q799 WeakPolarHBondContact O-CG 3.47Å; M795-Q799 PolarHBondContact O-N 3.13Å; M795-P824 HydrophobicContact CB-CB 4.36Å; M795-P824 HydrophobicContact CE-CB 3.78Å; M795-P824 HydrophobicContact CG-CB 4.05Å; M795-P824 WeakPolarHBondContact CG-O 3.29Å
796S77.4Confident76.6Confident49 Ų4968 Ų6834%0.34334%0.344SS..Hα-helixtrans-62.6-41.1177.3-178.60000111.2Q792 Q793 Q799 Q800Q792-S796 VanDerWaalsContact O-CB 3.3Å; Q792-S796 WeakPolarHBondContact O-CB 3.43Å; Q792-S796 PolarHBondContact O-N 2.69Å; Q793-S796 PolarHBondContact O-N 3.45Å; S796-Q799 PolarHBondContact O-N 3.3Å; S796-Q800 VanDerWaalsContact O-CB 3.25Å; S796-Q800 WeakPolarHBondContact O-CB 3.36Å; S796-Q800 WeakPolarHBondContact O-CG 3.42Å; S796-Q800 PolarHBondContact O-N 2.92Å
797Q78.2Confident75.7Confident123 Ų12372.8 Ų72.858%0.57537%0.369SS*.Hα-helixtrans-66.7-41.3175.7-73.6173.89.300111.8Q793 A794 M795 Q800 S801Q793-Q797 WeakPolarHBondContact O-CB 3.47Å; Q793-Q797 VanDerWaalsContact O-CG 3.26Å; Q793-Q797 WeakPolarHBondContact O-CG 3.34Å; Q793-Q797 PolarHBondContact O-N 3.42Å; A794-Q797 PolarHBondContact O-N 2.92Å; M795-Q797 VanDerWaalsContact C-N 3.33Å; M795-Q797 PolarHBondContact O-N 2.87Å; Q797-Q800 PolarHBondContact O-N 3.21Å; Q797-S801 WeakPolarHBondContact O-CB 3.47Å; Q797-S801 PolarHBondContact O-N 3.17Å
798A74.5Confident74.7Confident5 Ų575.1 Ų75.14%0.04138%0.381CS..Hα-helixtrans-61.4-45.7174.700000111.6A794 M795 S801 A802 S822A794-A798 VanDerWaalsContact O-CB 3.27Å; A794-A798 WeakPolarHBondContact O-CB 3.4Å; A794-A798 PolarHBondContact O-N 3.4Å; M795-A798 PolarHBondContact O-N 2.79Å; A798-S801 PolarHBondContact O-N 3.15Å; A798-A802 VanDerWaalsContact O-CB 3.28Å; A798-A802 WeakPolarHBondContact O-CB 3.5Å; A798-A802 PolarHBondContact O-N 3.45Å; A798-S822 WeakPolarHBondContact CB-OG 3.48Å
799Q72.2Confident73.5Confident100 Ų10071.9 Ų71.947%0.46738%0.381SS..Hα-helixtrans-65.1-45.7175.9-73.4175.2-8.500111.9M795 S796 A802 I803M795-Q799 WeakPolarHBondContact O-CB 3.37Å; M795-Q799 VanDerWaalsContact O-CG 3.28Å; M795-Q799 WeakPolarHBondContact O-CG 3.47Å; M795-Q799 PolarHBondContact O-N 3.13Å; S796-Q799 PolarHBondContact O-N 3.3Å; Q799-A802 PolarHBondContact O-N 2.87Å; Q799-I803 WeakPolarHBondContact O-CB 3.41Å; Q799-I803 WeakPolarHBondContact O-CD1 3.41Å; Q799-I803 WeakPolarHBondContact O-CG1 3.45Å; Q799-I803 PolarHBondContact O-N 3.04Å
800Q74.2Confident72.3Confident120 Ų12074.4 Ų74.456%0.56140%0.4SS*.Hα-helixtrans-62.8-43176.1-77.9176.1200111.6S796 Q797 I803 F804S796-Q800 VanDerWaalsContact O-CB 3.25Å; S796-Q800 WeakPolarHBondContact O-CB 3.36Å; S796-Q800 WeakPolarHBondContact O-CG 3.42Å; S796-Q800 PolarHBondContact O-N 2.92Å; Q797-Q800 PolarHBondContact O-N 3.21Å; Q800-I803 PolarHBondContact O-N 3.43Å; Q800-F804 WeakPolarHBondContact O-CB 3.23Å; Q800-F804 PolarHBondContact O-N 3.26Å
801S73Confident71.2Confident53 Ų5381.3 Ų81.337%0.37143%0.428SS..Hα-helixtrans-62.8-43.2174.8-175.40000110.9Q797 A798 I803 F804 Q805Q797-S801 WeakPolarHBondContact O-CB 3.47Å; Q797-S801 PolarHBondContact O-N 3.17Å; A798-S801 PolarHBondContact O-N 3.15Å; S801-I803 PolarHBondContact O-N 3.11Å; S801-F804 PolarHBondContact O-N 2.94Å; S801-Q805 WeakPolarHBondContact O-CB 3.44Å; S801-Q805 VanDerWaalsContact O-CG 3.31Å; S801-Q805 WeakPolarHBondContact O-CG 3.43Å; S801-Q805 PolarHBondContact O-N 3.47Å
802A69.3Low70.1Confident30 Ų3085.7 Ų85.725%0.24845%0.45CS..Hα-helixtrans-63.3-40.1175.400000112.6A798 Q799 S806A798-A802 VanDerWaalsContact O-CB 3.28Å; A798-A802 WeakPolarHBondContact O-CB 3.5Å; A798-A802 PolarHBondContact O-N 3.45Å; Q799-A802 PolarHBondContact O-N 2.87Å; A802-S806 WeakPolarHBondContact O-CB 3.13Å; A802-S806 PolarHBondContact O-N 2.97Å; A802-S806 PolarHBondContact O-OG 2.87Å
803I68.3Low68.6Low99 Ų9984 Ų8451%0.50846%0.461SS..Hα-helixtrans-69.1-44.5175.1-67.8163.3000111.1Q799 Q800 S801 S806 L807Q799-I803 WeakPolarHBondContact O-CB 3.41Å; Q799-I803 WeakPolarHBondContact O-CD1 3.41Å; Q799-I803 WeakPolarHBondContact O-CG1 3.45Å; Q799-I803 PolarHBondContact O-N 3.04Å; Q800-I803 PolarHBondContact O-N 3.43Å; S801-I803 PolarHBondContact O-N 3.11Å; I803-S806 PolarHBondContact O-N 2.97Å; I803-S806 PolarHBondContact O-OG 3.06Å; I803-L807 HydrophobicContact CG2-CD1 3.75Å; I803-L807 HydrophobicContact CG2-CG 4.4Å; I803-L807 WeakPolarHBondContact O-CB 3.47Å; I803-L807 WeakPolarHBondContact O-CG 3.36Å; I803-L807 PolarHBondContact O-N 3.04Å
804F69.4Low66.8Low136 Ų13682.4 Ų82.460%0.59646%0.46SS*.Hα-helixtrans-66.7-42179.6-173.5-108000111Q800 S801 L807 L808Q800-F804 WeakPolarHBondContact O-CB 3.23Å; Q800-F804 PolarHBondContact O-N 3.26Å; S801-F804 PolarHBondContact O-N 2.94Å; F804-L807 PolarHBondContact O-N 2.75Å; F804-L808 HydrophobicContact CD1-CD1 3.67Å; F804-L808 HydrophobicContact CD2-CD1 4.08Å; F804-L808 HydrophobicContact CD2-CG 4.48Å; F804-L808 HydrophobicContact CE1-CD1 3.15Å; F804-L808 HydrophobicContact CE1-CG 4.37Å; F804-L808 HydrophobicContact CE2-CD1 3.58Å; F804-L808 HydrophobicContact CE2-CG 4.24Å; F804-L808 HydrophobicContact CG-CD1 4.13Å; F804-L808 HydrophobicContact CZ-CD1 3.11Å; F804-L808 HydrophobicContact CZ-CG 4.21Å; F804-L808 VanDerWaalsContact O-CB 3.31Å; F804-L808 WeakPolarHBondContact O-CB 3.49Å; F804-L808 PolarHBondContact O-N 2.68Å
805Q64.9Low65.1Low102 Ų10291.3 Ų91.348%0.47749%0.49SS..Hα-helixtrans-62.1-43.2170.6-78.4-164.8-3.300111.2S801 L807 S809S801-Q805 WeakPolarHBondContact O-CB 3.44Å; S801-Q805 VanDerWaalsContact O-CG 3.31Å; S801-Q805 WeakPolarHBondContact O-CG 3.43Å; S801-Q805 PolarHBondContact O-N 3.47Å; Q805-L807 VanDerWaalsContact C-N 3.33Å; Q805-L807 PolarHBondContact O-N 2.82Å; Q805-S809 WeakPolarHBondContact O-CA 3.33Å; Q805-S809 WeakPolarHBondContact O-CB 3.34Å; Q805-S809 PolarHBondContact O-N 2.82Å; Q805-S809 PolarHBondContact O-OG 2.83Å
806S67.7Low63.6Low73 Ų7397.1 Ų97.151%0.5152%0.519SS..Hα-helixtrans-64.7-38.1177.779.10000112.2A802 I803 S809A802-S806 WeakPolarHBondContact O-CB 3.13Å; A802-S806 PolarHBondContact O-N 2.97Å; A802-S806 PolarHBondContact O-OG 2.87Å; I803-S806 PolarHBondContact O-N 2.97Å; I803-S806 PolarHBondContact O-OG 3.06Å; S806-S809 PolarHBondContact O-OG 2.82Å
807L67.3Low62.1Low115 Ų115104.2 Ų104.260%0.60254%0.539SS*.Hα-helixtrans-76.2-35.1178.7-75.6169.4000114.6I803 F804 Q805 P810I803-L807 HydrophobicContact CG2-CD1 3.75Å; I803-L807 HydrophobicContact CG2-CG 4.4Å; I803-L807 WeakPolarHBondContact O-CB 3.47Å; I803-L807 WeakPolarHBondContact O-CG 3.36Å; I803-L807 PolarHBondContact O-N 3.04Å; F804-L807 PolarHBondContact O-N 2.75Å; Q805-L807 VanDerWaalsContact C-N 3.33Å; Q805-L807 PolarHBondContact O-N 2.82Å; L807-P810 WeakPolarHBondContact O-CD 3.15Å
808L63Low60.4Low52 Ų52105 Ų10527%0.27255%0.547SS..Hα-helixtrans-91.3-19178.7-78.9178.7000114.2F804 P810 F811 I812F804-L808 HydrophobicContact CD1-CD1 3.67Å; F804-L808 HydrophobicContact CD2-CD1 4.08Å; F804-L808 HydrophobicContact CD2-CG 4.48Å; F804-L808 HydrophobicContact CE1-CD1 3.15Å; F804-L808 HydrophobicContact CE1-CG 4.37Å; F804-L808 HydrophobicContact CE2-CD1 3.58Å; F804-L808 HydrophobicContact CE2-CG 4.24Å; F804-L808 HydrophobicContact CG-CD1 4.13Å; F804-L808 HydrophobicContact CZ-CD1 3.11Å; F804-L808 HydrophobicContact CZ-CG 4.21Å; F804-L808 VanDerWaalsContact O-CB 3.31Å; F804-L808 WeakPolarHBondContact O-CB 3.49Å; F804-L808 PolarHBondContact O-N 2.68Å; L808-P810 VanDerWaalsContact O-N 3.1Å; L808-F811 PolarHBondContact O-N 3.42Å; L808-I812 HydrophobicContact CB-CD1 4.29Å; L808-I812 HydrophobicContact CD1-CD1 3.98Å; L808-I812 HydrophobicContact CD2-CD1 4.34Å; L808-I812 HydrophobicContact CG-CD1 4.49Å; L808-I812 PolarHBondContact O-N 3.46Å; L808-I812 VanDerWaalsContact O-N 3.09Å
809S57Low58.9Low76 Ų76108.3 Ų108.353%0.53158%0.582SS.*THydrogen-bonded Turntrans-49.1-32.8174.770.80000114Q805 S806Q805-S809 WeakPolarHBondContact O-CA 3.33Å; Q805-S809 WeakPolarHBondContact O-CB 3.34Å; Q805-S809 PolarHBondContact O-N 2.82Å; Q805-S809 PolarHBondContact O-OG 2.83Å; S806-S809 PolarHBondContact O-OG 2.82Å
810P59.8Low57.6Low94 Ų94107.3 Ų107.361%0.6159%0.586SS**THydrogen-bonded Turntrans-76.3-26.6175.3-12.330.2000113.7L807 L808L807-P810 WeakPolarHBondContact O-CD 3.15Å; L808-P810 VanDerWaalsContact O-N 3.1Å
811F60.3Low56.5Low174 Ų174107.1 Ų107.176%0.76359%0.593SS**THydrogen-bonded Turntrans-98-31.2-169.2-72.7-81.2000114.7L808 G813L808-F811 PolarHBondContact O-N 3.42Å; F811-G813 VanDerWaalsContact C-N 3.28Å
812I56.2Low56Low113 Ų113106.4 Ų106.458%0.57959%0.588SS**SBendtrans-87.63179.7-63.3176.9000111.9L808 T814L808-I812 HydrophobicContact CB-CD1 4.29Å; L808-I812 HydrophobicContact CD1-CD1 3.98Å; L808-I812 HydrophobicContact CD2-CD1 4.34Å; L808-I812 HydrophobicContact CG-CD1 4.49Å; L808-I812 PolarHBondContact O-N 3.46Å; L808-I812 VanDerWaalsContact O-N 3.09Å; I812-T814 PolarHBondContact O-N 2.88Å; I812-T814 PolarHBondContact O-OG1 3.23Å
813G52.3Low56.2Low70 Ų70107.4 Ų107.472%0.72259%0.593SS**  trans61.32.5169.300000115.6F811F811-G813 VanDerWaalsContact C-N 3.28Å
814T43.3Very low56.5Low87 Ų87104.1 Ų104.153%0.53458%0.578SS.*  trans-105.9100.7-175.6-39.30000107.6I812 M816I812-T814 PolarHBondContact O-N 2.88Å; I812-T814 PolarHBondContact O-OG1 3.23Å; T814-M816 HydrophobicContact CG2-CG 4.1Å; T814-M816 PolarHBondContact O-N 3.07Å
815R45.6Very low57Low203 Ų203100.9 Ų100.977%0.76656%0.563SS**  trans-65.385.5162.9-69.5-177-179.4-1752.2107.5Y817R815-Y817 VanDerWaalsContact C-N 3.32Å; R815-Y817 HydrophobicContact CB-CD2 3.96Å; R815-Y817 HydrophobicContact CB-CE2 3.87Å; R815-Y817 WeakPolarHBondContact O-CD2 3.47Å; R815-Y817 PolarHBondContact O-N 3.24Å
816M42.6Very low58Low165 Ų16596.8 Ų96.881%0.81354%0.543SS*.  trans-69.999.2167-66.2-15999.300107.2T814 D818T814-M816 HydrophobicContact CG2-CG 4.1Å; T814-M816 PolarHBondContact O-N 3.07Å; M816-D818 PolarHBondContact O-N 3.07Å
817Y45.1Very low58.8Low199 Ų19995.6 Ų95.678%0.7853%0.533SS*.  trans-74.152172.2-85.5-84.3000111.1R815R815-Y817 VanDerWaalsContact C-N 3.32Å; R815-Y817 HydrophobicContact CB-CD2 3.96Å; R815-Y817 HydrophobicContact CB-CE2 3.87Å; R815-Y817 WeakPolarHBondContact O-CD2 3.47Å; R815-Y817 PolarHBondContact O-N 3.24Å
818D42.6Very low59.8Low139 Ų13990.1 Ų90.174%0.74350%0.504SS*.  trans-134.3109.6162.9-145.9-5.4000109M816 S820M816-D818 PolarHBondContact O-N 3.07Å; D818-S820 PolarHBondContact O-N 3.01Å
819G42.4Very low61Low74 Ų7491.8 Ų91.876%0.76351%0.512SS*.  trans-72.245.5-168.500000114.3T821G819-T821 PolarHBondContact O-N 3.37Å; G819-T821 VanDerWaalsContact O-N 3.12Å
820S46Very low62.6Low80 Ų8088.2 Ų88.256%0.55949%0.487SS*.  trans-86.162.4168.3630000110.3D818 S822D818-S820 PolarHBondContact O-N 3.01Å; S820-S822 VanDerWaalsContact C-N 3.34Å; S820-S822 PolarHBondContact O-N 2.98Å
821T50.1Low64Low116 Ų11688.9 Ų88.971%0.71248%0.478SS*.  trans-52.7109.3151.939.10000106G819 S823G819-T821 PolarHBondContact O-N 3.37Å; G819-T821 VanDerWaalsContact O-N 3.12Å; T821-S823 VanDerWaalsContact C-N 3.32Å; T821-S823 PolarHBondContact O-N 2.7Å
822S62.7Low65.1Low38 Ų3885.5 Ų85.527%0.26646%0.46SS..  trans-63.696.3-171.9-165.10000108.9A798 S820 K853A798-S822 WeakPolarHBondContact CB-OG 3.48Å; S820-S822 VanDerWaalsContact C-N 3.34Å; S820-S822 PolarHBondContact O-N 2.98Å; S822-K853 PolarHBondContact OG-NZ 3.43Å; S822-K853 VanDerWaalsContact OG-NZ 3.12Å
823S72.6Confident66.5Low50 Ų5088.1 Ų88.135%0.3548%0.475SS..  trans-58.4137.5175.4166.30000108.2T821 Y825 K853T821-S823 VanDerWaalsContact C-N 3.32Å; T821-S823 PolarHBondContact O-N 2.7Å; S823-Y825 PolarHBondContact O-N 3.04Å; S823-Y825 PolarHBondContact OG-N 3.2Å; S823-Y825 PolarHBondContact OG-O 3.06Å; S823-K853 WeakPolarHBondContact O-CD 3.44Å; S823-K853 WeakPolarHBondContact O-CE 3.28Å; S823-K853 PolarHBondContact O-NZ 3.14Å
824P74.9Confident68.2Low30 Ų3087.6 Ų87.620%0.19546%0.456CS..SBendtrans-73.2-7.4173.631.8-34.4000112.5M795M795-P824 HydrophobicContact CB-CB 4.36Å; M795-P824 HydrophobicContact CE-CB 3.78Å; M795-P824 HydrophobicContact CG-CB 4.05Å; M795-P824 WeakPolarHBondContact CG-O 3.29Å
825Y80.4Confident70.4Confident69 Ų6983.7 Ų83.727%0.27143%0.432SS..EExtended strand (participates in β ladder)trans-108.9141.7177.3-55.9-84.5000110.8S823 L854 R856S823-Y825 PolarHBondContact O-N 3.04Å; S823-Y825 PolarHBondContact OG-N 3.2Å; S823-Y825 PolarHBondContact OG-O 3.06Å; Y825-L854 CarbonylContact C-O 3.37Å; Y825-L854 VanDerWaalsContact CA-O 3.31Å; Y825-L854 WeakPolarHBondContact CA-O 3.32Å; Y825-L854 HydrophobicContact CD1-CB 3.98Å; Y825-L854 HydrophobicContact CD1-CD2 3.96Å; Y825-L854 HydrophobicContact CD1-CG 4.1Å; Y825-L854 HydrophobicContact CE1-CB 4.39Å; Y825-L854 HydrophobicContact CE1-CD2 3.6Å; Y825-L854 HydrophobicContact CE1-CG 4.26Å; Y825-R856 HydrophobicContact CD1-CG 3.9Å; Y825-R856 VanDerWaalsContact CD1-NE 3.25Å; Y825-R856 VanDerWaalsContact CE1-NE 3.25Å; Y825-R856 VanDerWaalsContact CE1-NH2 3.29Å; Y825-R856 HydrophobicContact CG-CG 4.38Å; Y825-R856 PolarHBondContact OH-NH2 3.29Å
826F85.7Confident72.4Confident16 Ų1675.5 Ų75.57%0.0740%0.403CS..EExtended strand (participates in β ladder)trans-91.2109.3163180-124.1000108.2I828 L843 A846 D850 F851 K853 L854 L855 R856 L921F826-I828 HydrophobicContact CD1-CG1 4.37Å; F826-I828 HydrophobicContact CE1-CD1 3.85Å; F826-I828 HydrophobicContact CE1-CG1 3.78Å; F826-I828 HydrophobicContact CZ-CD1 4.44Å; F826-I828 HydrophobicContact CZ-CG1 4.07Å; F826-L843 HydrophobicContact CE1-CD2 3.91Å; F826-L843 HydrophobicContact CZ-CD2 3.85Å; F826-A846 HydrophobicContact CE2-CB 3.52Å; F826-A846 HydrophobicContact CZ-CB 3.89Å; F826-D850 WeakPolarHBondContact CB-O 3.32Å; F826-D850 HydrophobicContact CD2-CB 3.96Å; F826-F851 HydrophobicContact CD1-CD1 4.23Å; F826-F851 AromaticContact CE1-CD1 3.69Å; F826-F851 HydrophobicContact CE1-CD1 3.69Å; F826-F851 AromaticContact CE1-CE1 3.99Å; F826-F851 HydrophobicContact CE1-CE1 3.99Å; F826-F851 HydrophobicContact CE2-CD1 4.29Å; F826-F851 HydrophobicContact CE2-CE1 4.25Å; F826-F851 AromaticContact CZ-CD1 3.74Å; F826-F851 HydrophobicContact CZ-CD1 3.74Å; F826-F851 AromaticContact CZ-CE1 3.63Å; F826-F851 HydrophobicContact CZ-CE1 3.63Å; F826-K853 HydrophobicContact CB-CB 4.07Å; F826-L854 PolarHBondContact N-O 3.28Å; F826-L855 HydrophobicContact CD1-CD1 3.82Å; F826-L855 HydrophobicContact CE1-CD1 4.31Å; F826-L855 CarbonylContact O-C 3.55Å; F826-L855 WeakPolarHBondContact O-CA 3.26Å; F826-R856 PolarHBondContact O-N 2.88Å; F826-L921 HydrophobicContact CE1-CD1 4.42Å
827T85.4Confident74.5Confident47 Ų4773 Ų7329%0.28839%0.389SS..EExtended strand (participates in β ladder)trans-104.9124.1-174.8-54.40000110I829 R856 K858T827-I829 HydrophobicContact CG2-CG1 4.04Å; T827-R856 CarbonylContact C-O 3.56Å; T827-R856 VanDerWaalsContact CA-O 3.3Å; T827-R856 WeakPolarHBondContact CA-O 3.3Å; T827-R856 HydrophobicContact CG2-CB 4.44Å; T827-K858 HydrophobicContact CG2-CD 4.38Å; T827-K858 HydrophobicContact CG2-CG 4.46Å
828I88.2Confident76.7Confident0 Ų064.5 Ų64.50%036%0.358CS..EExtended strand (participates in β ladder)trans-101.9121.1172.1-62.4-179.4000107.7F826 V830 N842 L843 L855 R856 V857 K858 F874F826-I828 HydrophobicContact CD1-CG1 4.37Å; F826-I828 HydrophobicContact CE1-CD1 3.85Å; F826-I828 HydrophobicContact CE1-CG1 3.78Å; F826-I828 HydrophobicContact CZ-CD1 4.44Å; F826-I828 HydrophobicContact CZ-CG1 4.07Å; I828-V830 HydrophobicContact CG2-CG1 3.65Å; I828-N842 HydrophobicContact CG2-CB 4.41Å; I828-L843 HydrophobicContact CD1-CD2 4.15Å; I828-L855 HydrophobicContact CD1-CD1 3.7Å; I828-L855 HydrophobicContact CG1-CD1 3.92Å; I828-R856 PolarHBondContact N-O 3.43Å; I828-V857 WeakPolarHBondContact O-CA 3.38Å; I828-K858 PolarHBondContact O-N 2.79Å; I828-F874 HydrophobicContact CD1-CE1 4.3Å; I828-F874 HydrophobicContact CD1-CZ 4.23Å; I828-F874 HydrophobicContact CG2-CE2 4.22Å; I828-F874 HydrophobicContact CG2-CZ 4.13Å
829I87.1Confident79Confident87 Ų8757.9 Ų57.945%0.44632%0.322SS..EExtended strand (participates in β ladder)trans-110.1120.7175.7-54.6176.5000108T827 N842 K858T827-I829 HydrophobicContact CG2-CG1 4.04Å; I829-N842 PolarHBondContact O-ND2 3.03Å; I829-K858 WeakPolarHBondContact CA-O 3.37Å; I829-K858 HydrophobicContact CG1-CB 4.44Å
830V90.4Very high81.3Confident1 Ų155.5 Ų55.51%0.00629%0.292CS..EExtended strand (participates in β ladder)trans-135.2147.1-174.4-71.30000111.8I828 I835 D838 V857 K858 F859 E860 F874I828-V830 HydrophobicContact CG2-CG1 3.65Å; V830-I835 HydrophobicContact CB-CG1 4.44Å; V830-D838 HydrophobicContact CB-CB 4.22Å; V830-D838 HydrophobicContact CG1-CB 3.86Å; V830-V857 HydrophobicContact CG2-CG1 4.3Å; V830-K858 PolarHBondContact N-O 2.8Å; V830-F859 HydrophobicContact CG2-CD1 3.84Å; V830-F859 HydrophobicContact CG2-CE1 3.79Å; V830-F859 VanDerWaalsContact O-CA 3.29Å; V830-F859 WeakPolarHBondContact O-CA 3.27Å; V830-E860 PolarHBondContact O-N 3.37Å; V830-F874 HydrophobicContact CG1-CE2 4.09Å; V830-F874 HydrophobicContact CG2-CD2 3.91Å; V830-F874 HydrophobicContact CG2-CE2 4.16Å
831R89.3Confident83.3Confident109 Ų10954.1 Ų54.141%0.41128%0.282SS..  trans-91.1141.7166.2-67.9168.5-72.1-176.4-1.3110D833 N834 I835 D838 E860R831-D833 VanDerWaalsContact C-N 3.28Å; R831-D833 PolarHBondContact O-N 2.91Å; R831-N834 HydrophobicContact CB-CB 4.36Å; R831-N834 PolarHBondContact NH2-ND2 3.14Å; R831-N834 VanDerWaalsContact NH2-ND2 3.11Å; R831-N834 CarbonylContact O-C 3.5Å; R831-N834 PolarHBondContact O-N 2.73Å; R831-I835 WeakPolarHBondContact O-CA 3.15Å; R831-I835 PolarHBondContact O-N 2.79Å; R831-D838 WeakPolarHBondContact CB-OD2 3.46Å; R831-D838 IonicContact CZ-OD1 3.64Å; R831-D838 IonicContact CZ-OD2 3.96Å; R831-D838 PolarHBondContact N-OD2 3.2Å; R831-D838 IonicContact NE-OD1 2.86Å; R831-D838 IonicContact NE-OD2 3.65Å; R831-D838 PolarHBondContact NE-OD2 3.22Å; R831-D838 IonicContact NH2-OD1 3.04Å; R831-D838 PolarHBondContact NH2-OD1 3.03Å; R831-D838 IonicContact NH2-OD2 2.69Å; R831-E860 WeakPolarHBondContact CD-OE2 3.11Å; R831-E860 HydrophobicContact CG-CB 3.91Å; R831-E860 WeakPolarHBondContact CG-OE2 3.14Å; R831-E860 IonicContact NE-OE2 3.59Å
832R84.2Confident85.1Confident102 Ų10250.7 Ų50.739%0.38526%0.259SS..G310 helixtrans-55.7-43.9175.7-70-173.6179.5-97.8-6.3112N834 F859 E862 E873R832-N834 VanDerWaalsContact C-N 3.29Å; R832-N834 PolarHBondContact O-N 3.38Å; R832-F859 HydrophobicContact CG-CD1 3.79Å; R832-F859 HydrophobicContact CG-CE1 4.12Å; R832-F859 HydrophobicContact CG-CG 4.47Å; R832-E862 IonicContact CZ-OE1 2.64Å; R832-E862 IonicContact CZ-OE2 2.77Å; R832-E862 IonicContact NE-OE1 2.72Å; R832-E862 PolarHBondContact NE-OE1 3.19Å; R832-E862 IonicContact NE-OE2 3.84Å; R832-E862 IonicContact NH2-OE1 3.44Å; R832-E862 PolarHBondContact NH2-OE1 3.02Å; R832-E862 IonicContact NH2-OE2 3.58Å; R832-E862 PolarHBondContact NH2-OE2 3.32Å; R832-E873 IonicContact CZ-OE1 2.85Å; R832-E873 IonicContact NH1-OE1 2.95Å; R832-E873 PolarHBondContact NH1-OE1 3.46Å; R832-E873 IonicContact NH2-OE1 3.36Å; R832-E873 PolarHBondContact NH2-OE1 3.23Å; R832-E873 IonicContact NH2-OE2 3.83Å
833D85.4Confident86.4Confident168 Ų16849.1 Ų49.190%0.89825%0.248SC*.G310 helixtrans-76.5-12.4-176.5-55.1-32.5000114R831R831-D833 VanDerWaalsContact C-N 3.28Å; R831-D833 PolarHBondContact O-N 2.91Å
834N88.8Confident87Confident60 Ų6050 Ų5032%0.32125%0.251SS..G310 helixtrans-135.733.6-176.5-162.746.6000112.4R831 R832 L836 Q837 D838R831-N834 HydrophobicContact CB-CB 4.36Å; R831-N834 PolarHBondContact NH2-ND2 3.14Å; R831-N834 VanDerWaalsContact NH2-ND2 3.11Å; R831-N834 CarbonylContact O-C 3.5Å; R831-N834 PolarHBondContact O-N 2.73Å; R832-N834 VanDerWaalsContact C-N 3.29Å; R832-N834 PolarHBondContact O-N 3.38Å; N834-L836 VanDerWaalsContact C-N 3.29Å; N834-L836 PolarHBondContact O-N 3.07Å; N834-Q837 PolarHBondContact O-N 2.95Å; N834-D838 PolarHBondContact ND2-OD1 3.4Å; N834-D838 WeakPolarHBondContact O-CB 3.26Å; N834-D838 PolarHBondContact O-N 2.97Å; N834-D838 VanDerWaalsContact O-N 3.08Å
835I88.6Confident87.4Confident5 Ų556 Ų563%0.02628%0.279CS..Hα-helixtrans-56.6-40.9-169.1-167.6170.2000112.7V830 R831 T839 F859 F874 L877 V878V830-I835 HydrophobicContact CB-CG1 4.44Å; R831-I835 WeakPolarHBondContact O-CA 3.15Å; R831-I835 PolarHBondContact O-N 2.79Å; I835-T839 WeakPolarHBondContact O-CB 3.41Å; I835-T839 PolarHBondContact O-N 3.35Å; I835-T839 PolarHBondContact O-OG1 2.88Å; I835-F859 HydrophobicContact CD1-CE1 4.46Å; I835-F874 HydrophobicContact CD1-CD2 4.03Å; I835-F874 HydrophobicContact CD1-CE2 4.37Å; I835-F874 HydrophobicContact CG1-CD2 4.36Å; I835-F874 HydrophobicContact CG1-CE2 4.28Å; I835-L877 HydrophobicContact CD1-CB 3.5Å; I835-L877 VanDerWaalsContact CD1-CB 3.5Å; I835-L877 HydrophobicContact CD1-CD1 4.34Å; I835-V878 HydrophobicContact CD1-CB 4.01Å; I835-V878 HydrophobicContact CG1-CB 4.27Å; I835-V878 HydrophobicContact CG1-CG2 4.43Å
836L87.4Confident87.6Confident30 Ų3053.6 Ų53.616%0.15727%0.273CS..Hα-helixtrans-66-52.6-176.8-64.5-175.3000112.4N834 T839 L840 V878 D881 L882 Y887N834-L836 VanDerWaalsContact C-N 3.29Å; N834-L836 PolarHBondContact O-N 3.07Å; L836-T839 PolarHBondContact O-N 2.98Å; L836-L840 WeakPolarHBondContact O-CB 3.35Å; L836-L840 PolarHBondContact O-N 2.85Å; L836-V878 HydrophobicContact CD2-CG2 3.99Å; L836-D881 HydrophobicContact CD1-CB 4.14Å; L836-D881 HydrophobicContact CD2-CB 3.95Å; L836-D881 HydrophobicContact CG-CB 4.19Å; L836-L882 HydrophobicContact CD2-CD1 4.34Å; L836-L882 HydrophobicContact CD2-CD2 3.84Å; L836-L882 HydrophobicContact CD2-CG 3.59Å; L836-Y887 HydrophobicContact CD1-CD2 4.16Å; L836-Y887 HydrophobicContact CD1-CE2 3.58Å
837Q87.2Confident87.4Confident112 Ų11257.3 Ų57.352%0.52329%0.293SS..Hα-helixtrans-69.6-38.2-176.2-176.465.222.800111.6N834 L840 S841N834-Q837 PolarHBondContact O-N 2.95Å; Q837-L840 PolarHBondContact O-N 3.5Å; Q837-S841 WeakPolarHBondContact O-CB 3.27Å; Q837-S841 PolarHBondContact O-N 2.84Å
838D91.2Very high87.3Confident22 Ų2257.8 Ų57.812%0.11830%0.297CS..Hα-helixtrans-66-42.5175.8-68.4-7.6000110.1V830 R831 N834 S841 N842V830-D838 HydrophobicContact CB-CB 4.22Å; V830-D838 HydrophobicContact CG1-CB 3.86Å; R831-D838 WeakPolarHBondContact CB-OD2 3.46Å; R831-D838 IonicContact CZ-OD1 3.64Å; R831-D838 IonicContact CZ-OD2 3.96Å; R831-D838 PolarHBondContact N-OD2 3.2Å; R831-D838 IonicContact NE-OD1 2.86Å; R831-D838 IonicContact NE-OD2 3.65Å; R831-D838 PolarHBondContact NE-OD2 3.22Å; R831-D838 IonicContact NH2-OD1 3.04Å; R831-D838 PolarHBondContact NH2-OD1 3.03Å; R831-D838 IonicContact NH2-OD2 2.69Å; N834-D838 PolarHBondContact ND2-OD1 3.4Å; N834-D838 WeakPolarHBondContact O-CB 3.26Å; N834-D838 PolarHBondContact O-N 2.97Å; N834-D838 VanDerWaalsContact O-N 3.08Å; D838-S841 PolarHBondContact O-N 3.18Å; D838-N842 PolarHBondContact O-N 3.19Å; D838-N842 PolarHBondContact O-ND2 3.16Å
839T91.1Very high86.8Confident0 Ų060.2 Ų60.20%032%0.318CS..Hα-helixtrans-61.5-47.5174.9-57.20000111I835 L836 S841 N842 L843 F874 V878 M914 L918I835-T839 WeakPolarHBondContact O-CB 3.41Å; I835-T839 PolarHBondContact O-N 3.35Å; I835-T839 PolarHBondContact O-OG1 2.88Å; L836-T839 PolarHBondContact O-N 2.98Å; T839-S841 VanDerWaalsContact C-N 3.31Å; T839-S841 PolarHBondContact O-N 3.49Å; T839-N842 PolarHBondContact O-N 2.93Å; T839-L843 HydrophobicContact CG2-CD1 3.83Å; T839-L843 HydrophobicContact CG2-CG 4.18Å; T839-L843 WeakPolarHBondContact O-CB 3.21Å; T839-L843 WeakPolarHBondContact O-CG 3.29Å; T839-L843 PolarHBondContact O-N 2.93Å; T839-F874 HydrophobicContact CG2-CE2 4.38Å; T839-F874 HydrophobicContact CG2-CZ 3.9Å; T839-F874 WeakPolarHBondContact OG1-CE2 3.43Å; T839-V878 HydrophobicContact CG2-CG2 4.32Å; T839-M914 HydrophobicContact CG2-CG 4.42Å; T839-M914 HydrophobicContact CG2-SD 3.71Å; T839-L918 HydrophobicContact CG2-CD1 4.41Å; T839-L918 HydrophobicContact CG2-CD2 4.2Å
840L89.8Confident86.7Confident23 Ų2358.1 Ų58.112%0.1231%0.307CS..Hα-helixtrans-58.7-44.4178.7-174.964.2000111.3L836 Q837 L843 T844 N910 V911 M914L836-L840 WeakPolarHBondContact O-CB 3.35Å; L836-L840 PolarHBondContact O-N 2.85Å; Q837-L840 PolarHBondContact O-N 3.5Å; L840-L843 PolarHBondContact O-N 3.26Å; L840-T844 HydrophobicContact CD1-CG2 3.97Å; L840-T844 HydrophobicContact CG-CG2 4.3Å; L840-T844 VanDerWaalsContact O-CB 3.31Å; L840-T844 WeakPolarHBondContact O-CB 3.33Å; L840-T844 VanDerWaalsContact O-CG2 3.23Å; L840-T844 WeakPolarHBondContact O-CG2 3.37Å; L840-T844 PolarHBondContact O-N 2.93Å; L840-T844 PolarHBondContact O-OG1 2.77Å; L840-N910 HydrophobicContact CD1-CB 4.08Å; L840-N910 WeakPolarHBondContact CD1-O 3.4Å; L840-V911 HydrophobicContact CD2-CG2 4.21Å; L840-M914 WeakPolarHBondContact CA-SD 3.33Å; L840-M914 HydrophobicContact CB-CE 4.23Å; L840-M914 HydrophobicContact CB-SD 3.71Å; L840-M914 HydrophobicContact CD1-CB 3.93Å; L840-M914 HydrophobicContact CD1-CE 4.41Å; L840-M914 HydrophobicContact CD1-SD 3.96Å; L840-M914 HydrophobicContact CG-SD 4.46Å; L840-M914 PolarHBondContact N-SD 2.87Å; L840-M914 VanDerWaalsContact N-SD 3.38Å
841S88.6Confident86.4Confident51 Ų5158.1 Ų58.136%0.35731%0.307SS..Hα-helixtrans-60.9-49.8176.1-171.60000111.7Q837 D838 T839 L843 T844 M845Q837-S841 WeakPolarHBondContact O-CB 3.27Å; Q837-S841 PolarHBondContact O-N 2.84Å; D838-S841 PolarHBondContact O-N 3.18Å; T839-S841 VanDerWaalsContact C-N 3.31Å; T839-S841 PolarHBondContact O-N 3.49Å; S841-L843 VanDerWaalsContact C-N 3.35Å; S841-L843 PolarHBondContact O-N 3.27Å; S841-T844 PolarHBondContact O-N 3.48Å; S841-T844 PolarHBondContact O-OG1 2.85Å; S841-M845 WeakPolarHBondContact O-CB 3.19Å; S841-M845 VanDerWaalsContact O-CG 3.27Å; S841-M845 WeakPolarHBondContact O-CG 3.44Å; S841-M845 PolarHBondContact O-N 3.32Å
842N88.1Confident86.1Confident44 Ų4456.7 Ų56.724%0.23530%0.304CS..Hα-helixtrans-59.5-43.3178.6-80-81000112.1I828 I829 D838 T839 A846I828-N842 HydrophobicContact CG2-CB 4.41Å; I829-N842 PolarHBondContact O-ND2 3.03Å; D838-N842 PolarHBondContact O-N 3.19Å; D838-N842 PolarHBondContact O-ND2 3.16Å; T839-N842 PolarHBondContact O-N 2.93Å; N842-A846 VanDerWaalsContact O-CB 3.3Å; N842-A846 WeakPolarHBondContact O-CB 3.31Å; N842-A846 PolarHBondContact O-N 3.45Å
843L89.3Confident86.1Confident6 Ų652.5 Ų52.53%0.03129%0.289CS..Hα-helixtrans-74.8-38.6-178.3-64.9-178.9000112.7F826 I828 T839 L840 S841 A846 F851 M914 I917 L918 L921F826-L843 HydrophobicContact CE1-CD2 3.91Å; F826-L843 HydrophobicContact CZ-CD2 3.85Å; I828-L843 HydrophobicContact CD1-CD2 4.15Å; T839-L843 HydrophobicContact CG2-CD1 3.83Å; T839-L843 HydrophobicContact CG2-CG 4.18Å; T839-L843 WeakPolarHBondContact O-CB 3.21Å; T839-L843 WeakPolarHBondContact O-CG 3.29Å; T839-L843 PolarHBondContact O-N 2.93Å; L840-L843 PolarHBondContact O-N 3.26Å; S841-L843 VanDerWaalsContact C-N 3.35Å; S841-L843 PolarHBondContact O-N 3.27Å; L843-A846 PolarHBondContact O-N 3.02Å; L843-F851 HydrophobicContact CD2-CD1 4.49Å; L843-F851 HydrophobicContact CD2-CE1 3.83Å; L843-F851 HydrophobicContact CD2-CZ 4.45Å; L843-F851 WeakPolarHBondContact O-CZ 3.46Å; L843-M914 HydrophobicContact CD1-CB 4.08Å; L843-M914 HydrophobicContact CD1-CG 3.64Å; L843-M914 HydrophobicContact CD1-SD 4.23Å; L843-I917 HydrophobicContact CB-CD1 4.45Å; L843-I917 HydrophobicContact CD1-CB 4.31Å; L843-I917 HydrophobicContact CD1-CG2 4.1Å; L843-I917 HydrophobicContact CD2-CG2 3.9Å; L843-L918 HydrophobicContact CD1-CD2 4.4Å; L843-L918 HydrophobicContact CD1-CG 4.28Å; L843-L921 HydrophobicContact CD2-CD1 4.36Å
844T84.8Confident85.8Confident67 Ų6747.8 Ų47.841%0.41126%0.263SS..Hα-helixtrans-72.1-32179.252.20000112.8L840 S841 N910L840-T844 HydrophobicContact CD1-CG2 3.97Å; L840-T844 HydrophobicContact CG-CG2 4.3Å; L840-T844 VanDerWaalsContact O-CB 3.31Å; L840-T844 WeakPolarHBondContact O-CB 3.33Å; L840-T844 VanDerWaalsContact O-CG2 3.23Å; L840-T844 WeakPolarHBondContact O-CG2 3.37Å; L840-T844 PolarHBondContact O-N 2.93Å; L840-T844 PolarHBondContact O-OG1 2.77Å; S841-T844 PolarHBondContact O-N 3.48Å; S841-T844 PolarHBondContact O-OG1 2.85Å; T844-N910 HydrophobicContact CG2-CB 4.21Å
845M83.4Confident85.6Confident157 Ų15745.2 Ų45.277%0.77325%0.249SC*.Hα-helixtrans-79.7-19.7175.2-68-175.868.700113.4S841S841-M845 WeakPolarHBondContact O-CB 3.19Å; S841-M845 VanDerWaalsContact O-CG 3.27Å; S841-M845 WeakPolarHBondContact O-CG 3.44Å; S841-M845 PolarHBondContact O-N 3.32Å
846A84.5Confident85.4Confident18 Ų1849.8 Ų49.815%0.14927%0.266CS..SBendtrans-71.9145.2-17900000112.4F826 N842 L843 F851F826-A846 HydrophobicContact CE2-CB 3.52Å; F826-A846 HydrophobicContact CZ-CB 3.89Å; N842-A846 VanDerWaalsContact O-CB 3.3Å; N842-A846 WeakPolarHBondContact O-CB 3.31Å; N842-A846 PolarHBondContact O-N 3.45Å; L843-A846 PolarHBondContact O-N 3.02Å; A846-F851 HydrophobicContact CB-CD1 4.39Å; A846-F851 HydrophobicContact CB-CE1 3.51Å; A846-F851 HydrophobicContact CB-CZ 3.94Å
847N83Confident85.4Confident94 Ų9448.4 Ų48.450%0.50326%0.259SS..  trans-71.3133.4166-176.3-19.8000108.4A849 D850N847-A849 PolarHBondContact O-N 2.94Å; N847-A849 PolarHBondContact OD1-N 3.4Å; N847-D850 WeakPolarHBondContact CB-OD2 3.5Å; N847-D850 WeakPolarHBondContact O-CA 3.36Å; N847-D850 VanDerWaalsContact O-CB 3.28Å; N847-D850 WeakPolarHBondContact O-CB 3.49Å; N847-D850 PolarHBondContact O-N 3.48Å
848P82.2Confident85.3Confident57 Ų5748.4 Ų48.437%0.3726%0.257SS..THydrogen-bonded Turntrans-52.7-25.6174.4-29.535.8000115D850 F851 Q1039P848-D850 VanDerWaalsContact C-N 3.26Å; P848-D850 PolarHBondContact O-N 3.06Å; P848-F851 HydrophobicContact CB-CD2 4.31Å; P848-F851 HydrophobicContact CB-CE2 4.28Å; P848-F851 PolarHBondContact O-N 3.03Å; P848-Q1039 HydrophobicContact CB-CG 4.37Å
849A79.2Confident85.1Confident52 Ų5247.6 Ų47.643%0.4325%0.252SS..THydrogen-bonded Turntrans-66.2-26.3172.700000113.4N847 K852N847-A849 PolarHBondContact O-N 2.94Å; N847-A849 PolarHBondContact OD1-N 3.4Å; A849-K852 PolarHBondContact O-N 2.58Å
850D83.2Confident84.7Confident42 Ų4252.2 Ų52.223%0.22527%0.274CS..G310 helixtrans-74.7-26.3178.9-66.2-37.9000112.4F826 N847 P848 K852 K853F826-D850 WeakPolarHBondContact CB-O 3.32Å; F826-D850 HydrophobicContact CD2-CB 3.96Å; N847-D850 WeakPolarHBondContact CB-OD2 3.5Å; N847-D850 WeakPolarHBondContact O-CA 3.36Å; N847-D850 VanDerWaalsContact O-CB 3.28Å; N847-D850 WeakPolarHBondContact O-CB 3.49Å; N847-D850 PolarHBondContact O-N 3.48Å; P848-D850 VanDerWaalsContact C-N 3.26Å; P848-D850 PolarHBondContact O-N 3.06Å; D850-K852 PolarHBondContact O-N 3.32Å; D850-K853 HydrophobicContact CB-CD 4.24Å; D850-K853 VanDerWaalsContact O-CB 3.24Å; D850-K853 WeakPolarHBondContact O-CB 3.47Å; D850-K853 PolarHBondContact O-N 3.12Å; D850-K853 WeakPolarHBondContact OD1-CE 3.46Å; D850-K853 IonicContact OD1-NZ 3.8Å; D850-K853 PolarHBondContact OD1-NZ 3.28Å
851F85Confident84.2Confident2 Ų258.7 Ų58.71%0.00931%0.309CS..G310 helixtrans-62-17.7175-55.8-35000113.3F826 L843 A846 P848 K853 I917 L921 Q1039 V1040F826-F851 HydrophobicContact CD1-CD1 4.23Å; F826-F851 AromaticContact CE1-CD1 3.69Å; F826-F851 HydrophobicContact CE1-CD1 3.69Å; F826-F851 AromaticContact CE1-CE1 3.99Å; F826-F851 HydrophobicContact CE1-CE1 3.99Å; F826-F851 HydrophobicContact CE2-CD1 4.29Å; F826-F851 HydrophobicContact CE2-CE1 4.25Å; F826-F851 AromaticContact CZ-CD1 3.74Å; F826-F851 HydrophobicContact CZ-CD1 3.74Å; F826-F851 AromaticContact CZ-CE1 3.63Å; F826-F851 HydrophobicContact CZ-CE1 3.63Å; L843-F851 HydrophobicContact CD2-CD1 4.49Å; L843-F851 HydrophobicContact CD2-CE1 3.83Å; L843-F851 HydrophobicContact CD2-CZ 4.45Å; L843-F851 WeakPolarHBondContact O-CZ 3.46Å; A846-F851 HydrophobicContact CB-CD1 4.39Å; A846-F851 HydrophobicContact CB-CE1 3.51Å; A846-F851 HydrophobicContact CB-CZ 3.94Å; P848-F851 HydrophobicContact CB-CD2 4.31Å; P848-F851 HydrophobicContact CB-CE2 4.28Å; P848-F851 PolarHBondContact O-N 3.03Å; F851-K853 VanDerWaalsContact C-N 3.31Å; F851-I917 HydrophobicContact CD1-CG2 4.4Å; F851-I917 HydrophobicContact CD2-CG2 4.37Å; F851-I917 HydrophobicContact CE1-CG2 4.35Å; F851-I917 HydrophobicContact CE2-CD1 3.75Å; F851-I917 HydrophobicContact CE2-CG1 4.17Å; F851-I917 HydrophobicContact CE2-CG2 4.32Å; F851-I917 HydrophobicContact CG-CG2 4.43Å; F851-I917 HydrophobicContact CZ-CD1 3.83Å; F851-I917 HydrophobicContact CZ-CG2 4.32Å; F851-L921 HydrophobicContact CB-CD2 4.47Å; F851-Q1039 HydrophobicContact CD2-CB 4.37Å; F851-V1040 HydrophobicContact CB-CG2 4.1Å; F851-V1040 HydrophobicContact CD2-CG2 4.44Å
852K83.2Confident83.7Confident79 Ų7960.1 Ų60.134%0.34331%0.31SS..G310 helixtrans-862.3173.7-65.5172.7171.8-169.40112.6T790 M791 A794 A849 D850T790-K852 HydrophobicContact CG2-CB 4.05Å; T790-K852 HydrophobicContact CG2-CD 3.58Å; T790-K852 HydrophobicContact CG2-CG 3.93Å; M791-K852 WeakPolarHBondContact CA-O 3.43Å; M791-K852 WeakPolarHBondContact CG-O 3.27Å; A794-K852 HydrophobicContact CB-CB 4.28Å; A849-K852 PolarHBondContact O-N 2.58Å; D850-K852 PolarHBondContact O-N 3.32Å
853K83.4Confident82.7Confident14 Ų1468 Ų686%0.06135%0.345CS..SBendtrans-89168.5173.4-64.6173174.4176.80110.6A794 S822 S823 F826 D850 F851 L855A794-K853 HydrophobicContact CB-CG 4.33Å; S822-K853 PolarHBondContact OG-NZ 3.43Å; S822-K853 VanDerWaalsContact OG-NZ 3.12Å; S823-K853 WeakPolarHBondContact O-CD 3.44Å; S823-K853 WeakPolarHBondContact O-CE 3.28Å; S823-K853 PolarHBondContact O-NZ 3.14Å; F826-K853 HydrophobicContact CB-CB 4.07Å; D850-K853 HydrophobicContact CB-CD 4.24Å; D850-K853 VanDerWaalsContact O-CB 3.24Å; D850-K853 WeakPolarHBondContact O-CB 3.47Å; D850-K853 PolarHBondContact O-N 3.12Å; D850-K853 WeakPolarHBondContact OD1-CE 3.46Å; D850-K853 IonicContact OD1-NZ 3.8Å; D850-K853 PolarHBondContact OD1-NZ 3.28Å; F851-K853 VanDerWaalsContact C-N 3.31Å; K853-L855 PolarHBondContact O-N 3.44Å
854L78.8Confident81.4Confident68 Ų6869.7 Ų69.736%0.35636%0.361SS..EExtended strand (participates in β ladder)trans-66.2123.7177.3-175.760.5000110.3Y825 F826Y825-L854 CarbonylContact C-O 3.37Å; Y825-L854 VanDerWaalsContact CA-O 3.31Å; Y825-L854 WeakPolarHBondContact CA-O 3.32Å; Y825-L854 HydrophobicContact CD1-CB 3.98Å; Y825-L854 HydrophobicContact CD1-CD2 3.96Å; Y825-L854 HydrophobicContact CD1-CG 4.1Å; Y825-L854 HydrophobicContact CE1-CB 4.39Å; Y825-L854 HydrophobicContact CE1-CD2 3.6Å; Y825-L854 HydrophobicContact CE1-CG 4.26Å; F826-L854 PolarHBondContact N-O 3.28Å
855L86.4Confident80.1Confident7 Ų772.4 Ų72.44%0.03738%0.376CS..EExtended strand (participates in β ladder)trans-73137.7-178.4-18061.6000110.6F826 I828 K853 V857 M871 F875F826-L855 HydrophobicContact CD1-CD1 3.82Å; F826-L855 HydrophobicContact CE1-CD1 4.31Å; F826-L855 CarbonylContact O-C 3.55Å; F826-L855 WeakPolarHBondContact O-CA 3.26Å; I828-L855 HydrophobicContact CD1-CD1 3.7Å; I828-L855 HydrophobicContact CG1-CD1 3.92Å; K853-L855 PolarHBondContact O-N 3.44Å; L855-V857 HydrophobicContact CD1-CG2 4.46Å; L855-V857 HydrophobicContact CG-CG2 4.34Å; L855-M871 HydrophobicContact CB-SD 4.39Å; L855-M871 HydrophobicContact CD2-CG 4.16Å; L855-M871 HydrophobicContact CD2-SD 3.84Å; L855-M871 HydrophobicContact CG-SD 4.2Å; L855-F875 HydrophobicContact CD2-CE2 3.68Å; L855-F875 HydrophobicContact CD2-CZ 3.84Å
856R84Confident78.8Confident101 Ų10167 Ų6738%0.38135%0.351SS..EExtended strand (participates in β ladder)trans-133.6133.6168-76.5-174169.2178.1-3.5109.6Y825 F826 T827 I828 D866Y825-R856 HydrophobicContact CD1-CG 3.9Å; Y825-R856 VanDerWaalsContact CD1-NE 3.25Å; Y825-R856 VanDerWaalsContact CE1-NE 3.25Å; Y825-R856 VanDerWaalsContact CE1-NH2 3.29Å; Y825-R856 HydrophobicContact CG-CG 4.38Å; Y825-R856 PolarHBondContact OH-NH2 3.29Å; F826-R856 PolarHBondContact O-N 2.88Å; T827-R856 CarbonylContact C-O 3.56Å; T827-R856 VanDerWaalsContact CA-O 3.3Å; T827-R856 WeakPolarHBondContact CA-O 3.3Å; T827-R856 HydrophobicContact CG2-CB 4.44Å; I828-R856 PolarHBondContact N-O 3.43Å; R856-D866 WeakPolarHBondContact CA-OD2 3.41Å
857V87.2Confident77.5Confident1 Ų175 Ų751%0.00639%0.385CS..EExtended strand (participates in β ladder)trans-112.3136.8175.9-173.40000110.4I828 V830 L855 D866 V870 M871 F874I828-V857 WeakPolarHBondContact O-CA 3.38Å; V830-V857 HydrophobicContact CG2-CG1 4.3Å; L855-V857 HydrophobicContact CD1-CG2 4.46Å; L855-V857 HydrophobicContact CG-CG2 4.34Å; V857-D866 PolarHBondContact N-OD2 3.25Å; V857-V870 HydrophobicContact CB-CG1 4.41Å; V857-V870 HydrophobicContact CG1-CG1 4.47Å; V857-M871 HydrophobicContact CG2-CB 4.28Å; V857-M871 HydrophobicContact CG2-CG 4.18Å; V857-F874 HydrophobicContact CB-CB 4.31Å; V857-F874 HydrophobicContact CB-CG 4.42Å; V857-F874 HydrophobicContact CG1-CB 3.67Å; V857-F874 HydrophobicContact CG1-CD1 4.29Å; V857-F874 HydrophobicContact CG1-CD2 3.95Å; V857-F874 HydrophobicContact CG1-CG 3.69Å; V857-F874 HydrophobicContact CG2-CB 4.22Å; V857-F874 HydrophobicContact CG2-CD1 3.74Å; V857-F874 HydrophobicContact CG2-CE1 4.35Å; V857-F874 HydrophobicContact CG2-CG 4Å
858K85Confident76.7Confident111 Ų11171.8 Ų71.848%0.48337%0.374SS..EExtended strand (participates in β ladder)trans-130.1125.7173.2-65.8-173.8176.7-172.80110.1T827 I828 I829 V830T827-K858 HydrophobicContact CG2-CD 4.38Å; T827-K858 HydrophobicContact CG2-CG 4.46Å; I828-K858 PolarHBondContact O-N 2.79Å; I829-K858 WeakPolarHBondContact CA-O 3.37Å; I829-K858 HydrophobicContact CG1-CB 4.44Å; V830-K858 PolarHBondContact N-O 2.8Å
859F86.5Confident76.2Confident5 Ų570.3 Ų70.32%0.02237%0.37CS..EExtended strand (participates in β ladder)trans-79.7130.3164.2-69.9-74.6000109.3V830 R832 I835 N861 E862 V870 F874 L877V830-F859 HydrophobicContact CG2-CD1 3.84Å; V830-F859 HydrophobicContact CG2-CE1 3.79Å; V830-F859 VanDerWaalsContact O-CA 3.29Å; V830-F859 WeakPolarHBondContact O-CA 3.27Å; R832-F859 HydrophobicContact CG-CD1 3.79Å; R832-F859 HydrophobicContact CG-CE1 4.12Å; R832-F859 HydrophobicContact CG-CG 4.47Å; I835-F859 HydrophobicContact CD1-CE1 4.46Å; F859-N861 PolarHBondContact O-N 3.43Å; F859-E862 HydrophobicContact CB-CB 4.15Å; F859-E862 VanDerWaalsContact CB-CD 3.48Å; F859-E862 HydrophobicContact CB-CG 4.08Å; F859-E862 PolarHBondContact O-N 3.04Å; F859-V870 HydrophobicContact CD2-CG1 3.7Å; F859-V870 HydrophobicContact CE2-CG1 3.77Å; F859-F874 HydrophobicContact CZ-CB 4.09Å; F859-L877 HydrophobicContact CE1-CD1 4.28Å; F859-L877 HydrophobicContact CZ-CD1 4.04Å
860E82.4Confident76.2Confident98 Ų9868.7 Ų68.746%0.45835%0.354SS..THydrogen-bonded Turntrans-60.9133.5179.9-166.5176.8-156.900110.5V830 R831 E862V830-E860 PolarHBondContact O-N 3.37Å; R831-E860 WeakPolarHBondContact CD-OE2 3.11Å; R831-E860 HydrophobicContact CG-CB 3.91Å; R831-E860 WeakPolarHBondContact CG-OE2 3.14Å; R831-E860 IonicContact NE-OE2 3.59Å; E860-E862 VanDerWaalsContact C-N 3.34Å
861N80.6Confident76.1Confident159 Ų15967.9 Ų67.985%0.8535%0.349SS*.THydrogen-bonded Turntrans71.312.4-175.2-48.6-53.5000116.6F859F859-N861 PolarHBondContact O-N 3.43Å
862E78.3Confident75.8Confident80 Ų8069.8 Ų69.837%0.37436%0.358SS..  trans-110.6126.3175.5-66.3177.6-151.900111.6R832 F859 E860 A864R832-E862 IonicContact CZ-OE1 2.64Å; R832-E862 IonicContact CZ-OE2 2.77Å; R832-E862 IonicContact NE-OE1 2.72Å; R832-E862 PolarHBondContact NE-OE1 3.19Å; R832-E862 IonicContact NE-OE2 3.84Å; R832-E862 IonicContact NH2-OE1 3.44Å; R832-E862 PolarHBondContact NH2-OE1 3.02Å; R832-E862 IonicContact NH2-OE2 3.58Å; R832-E862 PolarHBondContact NH2-OE2 3.32Å; F859-E862 HydrophobicContact CB-CB 4.15Å; F859-E862 VanDerWaalsContact CB-CD 3.48Å; F859-E862 HydrophobicContact CB-CG 4.08Å; F859-E862 PolarHBondContact O-N 3.04Å; E860-E862 VanDerWaalsContact C-N 3.34Å; E862-A864 PolarHBondContact O-N 3.18Å
863E66.9Low75.7Confident209 Ų20968.4 Ų68.498%0.97735%0.353SS*.  trans-7960.3169.6-71.7-169.7163.500110.5
864A62.4Low75.9Confident43 Ų4367.8 Ų67.836%0.35535%0.35SS..  trans-95.2126.5175.400000110.7E862 V870E862-A864 PolarHBondContact O-N 3.18Å; A864-V870 HydrophobicContact CB-CG2 3.54Å
865V57.3Low76.3Confident123 Ų12364.7 Ų64.775%0.74533%0.333SS*.  trans-87.1115.3168-178.70000106.9E867V865-E867 VanDerWaalsContact C-N 3.27Å; V865-E867 HydrophobicContact CG1-CG 4.36Å; V865-E867 PolarHBondContact O-N 3.23Å
866D55.8Low75.9Confident43 Ų4366.4 Ų66.423%0.2334%0.342CS..  trans-70.681-176.5-161.75.9000110.9R856 V857 G868 M871R856-D866 WeakPolarHBondContact CA-OD2 3.41Å; V857-D866 PolarHBondContact N-OD2 3.25Å; D866-G868 PolarHBondContact O-N 3Å; D866-G868 PolarHBondContact OD1-N 3.41Å; D866-M871 PolarHBondContact OD1-N 3.18Å
867E57.1Low75.9Confident187 Ų18763.2 Ų63.287%0.87433%0.333SS*.SBendtrans-8624.1165.7-65.7-166161.300111.4V865V865-E867 VanDerWaalsContact C-N 3.27Å; V865-E867 HydrophobicContact CG1-CG 4.36Å; V865-E867 PolarHBondContact O-N 3.23Å
868G65.2Low75.9Confident27 Ų2763.1 Ų63.128%0.27833%0.332SS..SBendtrans97.4-23.9176.200000115.4D866 K872D866-G868 PolarHBondContact O-N 3Å; D866-G868 PolarHBondContact OD1-N 3.41Å; G868-K872 PolarHBondContact O-N 2.9Å
869G71.4Confident75.9Confident26 Ų2658.1 Ų58.127%0.26831%0.311SS..Hα-helixtrans-65-41.8177.900000113.4K872 E873G869-K872 PolarHBondContact O-N 3.22Å; G869-E873 PolarHBondContact O-N 2.97Å
870V80.3Confident75.6Confident18 Ų1863.9 Ų63.911%0.10933%0.332CS..Hα-helixtrans-64.9-45178.9-176.30000110.7V857 F859 A864 E873 F874V857-V870 HydrophobicContact CB-CG1 4.41Å; V857-V870 HydrophobicContact CG1-CG1 4.47Å; F859-V870 HydrophobicContact CD2-CG1 3.7Å; F859-V870 HydrophobicContact CE2-CG1 3.77Å; A864-V870 HydrophobicContact CB-CG2 3.54Å; V870-E873 PolarHBondContact O-N 3.18Å; V870-F874 WeakPolarHBondContact O-CB 3.39Å; V870-F874 PolarHBondContact O-N 2.74Å
871M81.8Confident75.7Confident24 Ų2461.5 Ų61.512%0.11832%0.323CS..Hα-helixtrans-59.1-46.5174.7-175.8-179.749.200111.8L855 V857 D866 E873 F874 F875 N925 I927L855-M871 HydrophobicContact CB-SD 4.39Å; L855-M871 HydrophobicContact CD2-CG 4.16Å; L855-M871 HydrophobicContact CD2-SD 3.84Å; L855-M871 HydrophobicContact CG-SD 4.2Å; V857-M871 HydrophobicContact CG2-CB 4.28Å; V857-M871 HydrophobicContact CG2-CG 4.18Å; D866-M871 PolarHBondContact OD1-N 3.18Å; M871-E873 VanDerWaalsContact C-N 3.35Å; M871-E873 PolarHBondContact O-N 3.26Å; M871-F874 WeakPolarHBondContact O-CB 3.44Å; M871-F874 PolarHBondContact O-N 3.49Å; M871-F875 HydrophobicContact CG-CD2 3.97Å; M871-F875 HydrophobicContact CG-CE2 3.79Å; M871-F875 VanDerWaalsContact O-CD2 3.27Å; M871-F875 WeakPolarHBondContact O-CD2 3.1Å; M871-F875 PolarHBondContact O-N 2.94Å; M871-F875 HydrophobicContact SD-CE2 4.43Å; M871-N925 HydrophobicContact CE-CB 4.02Å; M871-N925 HydrophobicContact SD-CB 3.75Å; M871-I927 HydrophobicContact CE-CD1 3.83Å; M871-I927 HydrophobicContact CE-CG1 4.5Å; M871-I927 HydrophobicContact CG-CD1 3.6Å; M871-I927 HydrophobicContact SD-CD1 3.8Å
872K77.1Confident75.8Confident43 Ų4354 Ų5419%0.18728%0.282CS..Hα-helixtrans-58.8-46177.1-171.9-176.9178.1-166.50111.4G868 G869 F875 L876 T1110 T1142 N1145G868-K872 PolarHBondContact O-N 2.9Å; G869-K872 PolarHBondContact O-N 3.22Å; K872-F875 PolarHBondContact O-N 3.12Å; K872-L876 HydrophobicContact CG-CD1 4.3Å; K872-L876 VanDerWaalsContact O-CG 3.29Å; K872-L876 WeakPolarHBondContact O-CG 3.24Å; K872-L876 PolarHBondContact O-N 2.93Å; K872-T1110 WeakPolarHBondContact CE-O 3.3Å; K872-T1110 PolarHBondContact NZ-O 3.45Å; K872-T1142 PolarHBondContact NZ-O 3.38Å; K872-N1145 PolarHBondContact NZ-OD1 2.92Å
873E81Confident76Confident50 Ų5050.7 Ų50.723%0.23427%0.267CS..Hα-helixtrans-61.6-43.5176.9-173.7179.5-176.300112R832 G869 V870 M871 F875 L876 L877R832-E873 IonicContact CZ-OE1 2.85Å; R832-E873 IonicContact NH1-OE1 2.95Å; R832-E873 PolarHBondContact NH1-OE1 3.46Å; R832-E873 IonicContact NH2-OE1 3.36Å; R832-E873 PolarHBondContact NH2-OE1 3.23Å; R832-E873 IonicContact NH2-OE2 3.83Å; G869-E873 PolarHBondContact O-N 2.97Å; V870-E873 PolarHBondContact O-N 3.18Å; M871-E873 VanDerWaalsContact C-N 3.35Å; M871-E873 PolarHBondContact O-N 3.26Å; E873-F875 PolarHBondContact O-N 3.42Å; E873-L876 WeakPolarHBondContact O-CB 3.47Å; E873-L876 PolarHBondContact O-N 2.93Å; E873-L877 HydrophobicContact CG-CD1 4.07Å; E873-L877 HydrophobicContact CG-CG 4.36Å; E873-L877 WeakPolarHBondContact O-CG 3.3Å; E873-L877 PolarHBondContact O-N 2.77Å
874F88.3Confident76.7Confident0 Ų044.2 Ų44.20%024%0.24CC..Hα-helixtrans-56.3-50175.6163-102000112.7I828 V830 I835 T839 V857 F859 V870 M871 L876 L877 V878 L918I828-F874 HydrophobicContact CD1-CE1 4.3Å; I828-F874 HydrophobicContact CD1-CZ 4.23Å; I828-F874 HydrophobicContact CG2-CE2 4.22Å; I828-F874 HydrophobicContact CG2-CZ 4.13Å; V830-F874 HydrophobicContact CG1-CE2 4.09Å; V830-F874 HydrophobicContact CG2-CD2 3.91Å; V830-F874 HydrophobicContact CG2-CE2 4.16Å; I835-F874 HydrophobicContact CD1-CD2 4.03Å; I835-F874 HydrophobicContact CD1-CE2 4.37Å; I835-F874 HydrophobicContact CG1-CD2 4.36Å; I835-F874 HydrophobicContact CG1-CE2 4.28Å; T839-F874 HydrophobicContact CG2-CE2 4.38Å; T839-F874 HydrophobicContact CG2-CZ 3.9Å; T839-F874 WeakPolarHBondContact OG1-CE2 3.43Å; V857-F874 HydrophobicContact CB-CB 4.31Å; V857-F874 HydrophobicContact CB-CG 4.42Å; V857-F874 HydrophobicContact CG1-CB 3.67Å; V857-F874 HydrophobicContact CG1-CD1 4.29Å; V857-F874 HydrophobicContact CG1-CD2 3.95Å; V857-F874 HydrophobicContact CG1-CG 3.69Å; V857-F874 HydrophobicContact CG2-CB 4.22Å; V857-F874 HydrophobicContact CG2-CD1 3.74Å; V857-F874 HydrophobicContact CG2-CE1 4.35Å; V857-F874 HydrophobicContact CG2-CG 4Å; F859-F874 HydrophobicContact CZ-CB 4.09Å; V870-F874 WeakPolarHBondContact O-CB 3.39Å; V870-F874 PolarHBondContact O-N 2.74Å; M871-F874 WeakPolarHBondContact O-CB 3.44Å; M871-F874 PolarHBondContact O-N 3.49Å; F874-L876 VanDerWaalsContact C-N 3.3Å; F874-L876 PolarHBondContact O-N 3.46Å; F874-L877 PolarHBondContact O-N 3.23Å; F874-V878 HydrophobicContact CE1-CG1 4.41Å; F874-V878 HydrophobicContact CE2-CB 4.32Å; F874-V878 HydrophobicContact CE2-CG1 4.46Å; F874-V878 HydrophobicContact CZ-CG1 4.25Å; F874-V878 WeakPolarHBondContact O-CB 3.39Å; F874-V878 VanDerWaalsContact O-CG1 3.29Å; F874-V878 WeakPolarHBondContact O-CG1 3.4Å; F874-V878 PolarHBondContact O-N 3.02Å; F874-L918 HydrophobicContact CE1-CD2 4.04Å; F874-L918 HydrophobicContact CZ-CD2 4.1Å
875F86.4Confident77.3Confident3 Ų344.5 Ų44.51%0.01324%0.237CC..Hα-helixtrans-61.4-39.2177.3-83-77.9000111.8L855 M871 K872 E873 M879 L918 L921 A922 I927L855-F875 HydrophobicContact CD2-CE2 3.68Å; L855-F875 HydrophobicContact CD2-CZ 3.84Å; M871-F875 HydrophobicContact CG-CD2 3.97Å; M871-F875 HydrophobicContact CG-CE2 3.79Å; M871-F875 VanDerWaalsContact O-CD2 3.27Å; M871-F875 WeakPolarHBondContact O-CD2 3.1Å; M871-F875 PolarHBondContact O-N 2.94Å; M871-F875 HydrophobicContact SD-CE2 4.43Å; K872-F875 PolarHBondContact O-N 3.12Å; E873-F875 PolarHBondContact O-N 3.42Å; F875-M879 WeakPolarHBondContact O-CB 2.95Å; F875-M879 WeakPolarHBondContact O-CG 3.09Å; F875-M879 PolarHBondContact O-N 3.12Å; F875-M879 VanDerWaalsContact O-N 3.08Å; F875-L918 HydrophobicContact CE1-CB 4.39Å; F875-L918 HydrophobicContact CE1-CD2 3.99Å; F875-L918 WeakPolarHBondContact CE1-O 3.34Å; F875-L921 HydrophobicContact CE1-CB 4.25Å; F875-L921 HydrophobicContact CZ-CB 3.79Å; F875-A922 HydrophobicContact CD1-CB 4.13Å; F875-A922 HydrophobicContact CE1-CB 3.94Å; F875-A922 HydrophobicContact CZ-CB 4.46Å; F875-I927 HydrophobicContact CB-CG2 4.07Å; F875-I927 HydrophobicContact CD2-CD1 3.26Å; F875-I927 HydrophobicContact CD2-CG2 4.33Å; F875-I927 HydrophobicContact CE2-CD1 3.48Å; F875-I927 VanDerWaalsContact CE2-CD1 3.48Å; F875-I927 HydrophobicContact CG-CD1 4.17Å; F875-I927 HydrophobicContact CG-CG2 4.24Å
876L78.9Confident78.1Confident43 Ų4344.9 Ų44.923%0.22524%0.24CC..Hα-helixtrans-62.4-47.9176.5-71.4169.6000111.9K872 E873 F874 R880 F1172K872-L876 HydrophobicContact CG-CD1 4.3Å; K872-L876 VanDerWaalsContact O-CG 3.29Å; K872-L876 WeakPolarHBondContact O-CG 3.24Å; K872-L876 PolarHBondContact O-N 2.93Å; E873-L876 WeakPolarHBondContact O-CB 3.47Å; E873-L876 PolarHBondContact O-N 2.93Å; F874-L876 VanDerWaalsContact C-N 3.3Å; F874-L876 PolarHBondContact O-N 3.46Å; L876-R880 VanDerWaalsContact O-CB 3.24Å; L876-R880 WeakPolarHBondContact O-CB 3.39Å; L876-R880 PolarHBondContact O-N 3Å; L876-R880 VanDerWaalsContact O-N 3.14Å; L876-F1172 HydrophobicContact CD1-CD2 4.36Å; L876-F1172 HydrophobicContact CD1-CE2 4.14Å; L876-F1172 HydrophobicContact CD2-CB 4.48Å; L876-F1172 HydrophobicContact CD2-CD2 4.06Å; L876-F1172 HydrophobicContact CD2-CG 4.33Å
877L84.1Confident79.1Confident34 Ų3446.8 Ų46.818%0.17824%0.244CC..Hα-helixtrans-66.7-48.3-178.7-69.8175.2000112I835 F859 E873 F874 D881I835-L877 HydrophobicContact CD1-CB 3.5Å; I835-L877 VanDerWaalsContact CD1-CB 3.5Å; I835-L877 HydrophobicContact CD1-CD1 4.34Å; F859-L877 HydrophobicContact CE1-CD1 4.28Å; F859-L877 HydrophobicContact CZ-CD1 4.04Å; E873-L877 HydrophobicContact CG-CD1 4.07Å; E873-L877 HydrophobicContact CG-CG 4.36Å; E873-L877 WeakPolarHBondContact O-CG 3.3Å; E873-L877 PolarHBondContact O-N 2.77Å; F874-L877 PolarHBondContact O-N 3.23Å; L877-D881 PolarHBondContact O-N 3.26Å
878V87.4Confident80.2Confident0 Ų039.3 Ų39.30%022%0.218CC..Hα-helixtrans-67.7-40.1-175.575.80000111.6I835 L836 T839 F874 D881 L882 L918I835-V878 HydrophobicContact CD1-CB 4.01Å; I835-V878 HydrophobicContact CG1-CB 4.27Å; I835-V878 HydrophobicContact CG1-CG2 4.43Å; L836-V878 HydrophobicContact CD2-CG2 3.99Å; T839-V878 HydrophobicContact CG2-CG2 4.32Å; F874-V878 HydrophobicContact CE1-CG1 4.41Å; F874-V878 HydrophobicContact CE2-CB 4.32Å; F874-V878 HydrophobicContact CE2-CG1 4.46Å; F874-V878 HydrophobicContact CZ-CG1 4.25Å; F874-V878 WeakPolarHBondContact O-CB 3.39Å; F874-V878 VanDerWaalsContact O-CG1 3.29Å; F874-V878 WeakPolarHBondContact O-CG1 3.4Å; F874-V878 PolarHBondContact O-N 3.02Å; V878-D881 PolarHBondContact O-N 2.86Å; V878-L882 HydrophobicContact CG2-CD1 3.95Å; V878-L882 WeakPolarHBondContact O-CB 3.44Å; V878-L882 VanDerWaalsContact O-CG 3.28Å; V878-L882 WeakPolarHBondContact O-CG 3.4Å; V878-L882 PolarHBondContact O-N 2.98Å; V878-L918 HydrophobicContact CG1-CD1 4.01Å; V878-L918 HydrophobicContact CG1-CD2 4.33Å; V878-L918 HydrophobicContact CG2-CD1 3.97Å
879M84.5Confident81.3Confident6 Ų638 Ų383%0.0320%0.204CC..Hα-helixtrans-74.3-36-178.4-64.4-61-55.100111.9F875 D881 L882 L883 V915 L918 V929 L931F875-M879 WeakPolarHBondContact O-CB 2.95Å; F875-M879 WeakPolarHBondContact O-CG 3.09Å; F875-M879 PolarHBondContact O-N 3.12Å; F875-M879 VanDerWaalsContact O-N 3.08Å; M879-D881 VanDerWaalsContact C-N 3.31Å; M879-D881 PolarHBondContact O-N 2.97Å; M879-L882 PolarHBondContact O-N 3.21Å; M879-L882 HydrophobicContact SD-CD1 4.4Å; M879-L883 HydrophobicContact CB-CD1 4.36Å; M879-L883 HydrophobicContact CE-CD1 3.73Å; M879-L883 HydrophobicContact CE-CD2 4.23Å; M879-L883 HydrophobicContact CE-CG 4Å; M879-L883 VanDerWaalsContact O-CB 3.26Å; M879-L883 WeakPolarHBondContact O-CB 3.31Å; M879-L883 VanDerWaalsContact O-CG 3.22Å; M879-L883 WeakPolarHBondContact O-CG 3.4Å; M879-L883 PolarHBondContact O-N 2.84Å; M879-V915 HydrophobicContact CE-CG1 4.44Å; M879-L918 HydrophobicContact SD-CB 4.02Å; M879-L918 HydrophobicContact SD-CD1 4.13Å; M879-V929 HydrophobicContact CB-CG1 3.9Å; M879-V929 HydrophobicContact CE-CG1 3.79Å; M879-V929 HydrophobicContact CG-CG1 3.59Å; M879-V929 HydrophobicContact SD-CG1 4.32Å; M879-L931 HydrophobicContact CE-CD2 3.4Å; M879-L931 VanDerWaalsContact CE-CD2 3.4Å
880R80.8Confident82.2Confident126 Ų12636.9 Ų36.948%0.47519%0.192SC..Hα-helixtrans-57.4-46.2172.7-177.5-162.268.8-169.2-3.1111.3L876 N884L876-R880 VanDerWaalsContact O-CB 3.24Å; L876-R880 WeakPolarHBondContact O-CB 3.39Å; L876-R880 PolarHBondContact O-N 3Å; L876-R880 VanDerWaalsContact O-N 3.14Å; R880-N884 PolarHBondContact O-N 3.27Å
881D83Confident82.5Confident48 Ų4840.6 Ų40.626%0.25720%0.204SC..Hα-helixtrans-72.8-36.9-177.1-67.81.7000111.4L836 L877 V878 M879L836-D881 HydrophobicContact CD1-CB 4.14Å; L836-D881 HydrophobicContact CD2-CB 3.95Å; L836-D881 HydrophobicContact CG-CB 4.19Å; L877-D881 PolarHBondContact O-N 3.26Å; V878-D881 PolarHBondContact O-N 2.86Å; M879-D881 VanDerWaalsContact C-N 3.31Å; M879-D881 PolarHBondContact O-N 2.97Å
882L83.8Confident82.8Confident0 Ų041.7 Ų41.70%021%0.213CC..Hα-helixtrans-71.3-38.9178.3-77.6168000114.6L836 V878 M879 N884 M889 V911 M914 V915 L918L836-L882 HydrophobicContact CD2-CD1 4.34Å; L836-L882 HydrophobicContact CD2-CD2 3.84Å; L836-L882 HydrophobicContact CD2-CG 3.59Å; V878-L882 HydrophobicContact CG2-CD1 3.95Å; V878-L882 WeakPolarHBondContact O-CB 3.44Å; V878-L882 VanDerWaalsContact O-CG 3.28Å; V878-L882 WeakPolarHBondContact O-CG 3.4Å; V878-L882 PolarHBondContact O-N 2.98Å; M879-L882 PolarHBondContact O-N 3.21Å; M879-L882 HydrophobicContact SD-CD1 4.4Å; L882-N884 VanDerWaalsContact C-N 3.32Å; L882-M889 HydrophobicContact CD2-SD 4.05Å; L882-V911 HydrophobicContact CD2-CG1 4Å; L882-M914 HydrophobicContact CD1-CE 4Å; L882-M914 HydrophobicContact CD2-CE 3.63Å; L882-M914 HydrophobicContact CG-CE 4.33Å; L882-V915 HydrophobicContact CB-CG2 4.5Å; L882-V915 HydrophobicContact CD1-CG2 4.05Å; L882-V915 HydrophobicContact CD2-CG2 4.21Å; L882-V915 HydrophobicContact CG-CG2 4.48Å; L882-L918 HydrophobicContact CD1-CD1 3.56Å
883L81.9Confident83.4Confident12 Ų1240.3 Ų40.36%0.06321%0.207CC..Hα-helixtrans-88.8-4.1-174.6-61.3175.5000112.7M879 P885 F890 L899 L931 F933M879-L883 HydrophobicContact CB-CD1 4.36Å; M879-L883 HydrophobicContact CE-CD1 3.73Å; M879-L883 HydrophobicContact CE-CD2 4.23Å; M879-L883 HydrophobicContact CE-CG 4Å; M879-L883 VanDerWaalsContact O-CB 3.26Å; M879-L883 WeakPolarHBondContact O-CB 3.31Å; M879-L883 VanDerWaalsContact O-CG 3.22Å; M879-L883 WeakPolarHBondContact O-CG 3.4Å; M879-L883 PolarHBondContact O-N 2.84Å; L883-P885 VanDerWaalsContact O-CD 3.29Å; L883-P885 WeakPolarHBondContact O-CD 3.33Å; L883-F890 HydrophobicContact CD2-CD2 4.01Å; L883-F890 HydrophobicContact CD2-CE2 3.76Å; L883-F890 HydrophobicContact CD2-CZ 4.41Å; L883-L899 HydrophobicContact CB-CD1 3.91Å; L883-L899 HydrophobicContact CD2-CD1 4.21Å; L883-L931 HydrophobicContact CD1-CD2 3.56Å; L883-L931 HydrophobicContact CD2-CD2 4.46Å; L883-F933 HydrophobicContact CD2-CE1 4.24Å; L883-F933 HydrophobicContact CD2-CZ 3.72Å
884N81.3Confident83.6Confident73 Ų7343 Ų4339%0.3923%0.229SC..  trans-62.2121.2174.3-170-29.4000109.4R880 L882 V886 Y887R880-N884 PolarHBondContact O-N 3.27Å; L882-N884 VanDerWaalsContact C-N 3.32Å; N884-V886 PolarHBondContact O-N 2.84Å; N884-V886 VanDerWaalsContact OD1-CB 3.3Å; N884-V886 WeakPolarHBondContact OD1-CB 3.19Å; N884-V886 VanDerWaalsContact OD1-CG2 3.26Å; N884-V886 WeakPolarHBondContact OD1-CG2 3.31Å; N884-V886 PolarHBondContact OD1-N 2.89Å; N884-Y887 WeakPolarHBondContact O-CB 3.14Å; N884-Y887 PolarHBondContact O-N 2.83Å
885P75Confident83.6Confident48 Ų4849.1 Ų49.131%0.31226%0.257SS..G310 helixtrans-56.1-24.7178.8-26.535.5000113.8L883 Y887 G888 C892 L899 L1174L883-P885 VanDerWaalsContact O-CD 3.29Å; L883-P885 WeakPolarHBondContact O-CD 3.33Å; P885-Y887 PolarHBondContact O-N 2.98Å; P885-G888 PolarHBondContact O-N 2.92Å; P885-C892 HydrophobicContact CB-CB 4.49Å; P885-C892 HydrophobicContact CG-CB 3.94Å; P885-L899 HydrophobicContact CG-CD2 4.13Å; P885-L1174 HydrophobicContact CG-CD2 4.42Å
886V74.2Confident83.8Confident132 Ų13250.3 Ų50.380%0.827%0.267SS*.G310 helixtrans-60.9-28.8175.3178.10000112.2N884 G888N884-V886 PolarHBondContact O-N 2.84Å; N884-V886 VanDerWaalsContact OD1-CB 3.3Å; N884-V886 WeakPolarHBondContact OD1-CB 3.19Å; N884-V886 VanDerWaalsContact OD1-CG2 3.26Å; N884-V886 WeakPolarHBondContact OD1-CG2 3.31Å; N884-V886 PolarHBondContact OD1-N 2.89Å; V886-G888 PolarHBondContact O-N 2.83Å
887Y77Confident84.2Confident82 Ų8256 Ų5632%0.32229%0.285SS..G310 helixtrans-72.4-13.2177.1-159.3-93.4000112.3L836 N884 P885 M889 E907 V911L836-Y887 HydrophobicContact CD1-CD2 4.16Å; L836-Y887 HydrophobicContact CD1-CE2 3.58Å; N884-Y887 WeakPolarHBondContact O-CB 3.14Å; N884-Y887 PolarHBondContact O-N 2.83Å; P885-Y887 PolarHBondContact O-N 2.98Å; Y887-M889 VanDerWaalsContact C-N 3.3Å; Y887-M889 HydrophobicContact CD1-CG 3.68Å; Y887-M889 HydrophobicContact CD1-SD 3.56Å; Y887-M889 VanDerWaalsContact CD1-SD 3.56Å; Y887-M889 HydrophobicContact CE1-CG 4.04Å; Y887-M889 HydrophobicContact CE1-SD 3.64Å; Y887-M889 PolarHBondContact O-N 2.87Å; Y887-E907 HydrophobicContact CD1-CG 4.36Å; Y887-E907 HydrophobicContact CE1-CG 3.85Å; Y887-E907 WeakPolarHBondContact CE1-OE2 3.33Å; Y887-E907 PolarHBondContact OH-OE2 3.08Å; Y887-V911 HydrophobicContact CE1-CG1 4.36Å
888G81.6Confident84.5Confident30 Ų3056.2 Ų56.231%0.30929%0.285SS..SBendtrans78.80.1169.900000116.1P885 V886 S902P885-G888 PolarHBondContact O-N 2.92Å; V886-G888 PolarHBondContact O-N 2.83Å; G888-S902 WeakPolarHBondContact O-CB 3.4Å; G888-S902 PolarHBondContact O-OG 3.14Å
889M86.9Confident84.7Confident0 Ų056.2 Ų56.20%029%0.285CS..SBendtrans-72.1-38.2175.1-73.5176.375.200113.2L882 Y887 S902 E907 V911 F912 V915L882-M889 HydrophobicContact CD2-SD 4.05Å; Y887-M889 VanDerWaalsContact C-N 3.3Å; Y887-M889 HydrophobicContact CD1-CG 3.68Å; Y887-M889 HydrophobicContact CD1-SD 3.56Å; Y887-M889 VanDerWaalsContact CD1-SD 3.56Å; Y887-M889 HydrophobicContact CE1-CG 4.04Å; Y887-M889 HydrophobicContact CE1-SD 3.64Å; Y887-M889 PolarHBondContact O-N 2.87Å; M889-S902 PolarHBondContact O-N 2.84Å; M889-S902 VanDerWaalsContact O-N 3.16Å; M889-S902 PolarHBondContact O-OG 3.1Å; M889-E907 HydrophobicContact CG-CB 4.2Å; M889-E907 HydrophobicContact CG-CG 3.75Å; M889-V911 HydrophobicContact CE-CB 4.05Å; M889-V911 HydrophobicContact CE-CG1 3.59Å; M889-V911 HydrophobicContact SD-CB 4.35Å; M889-V911 HydrophobicContact SD-CG1 3.48Å; M889-V911 WeakPolarHBondContact SD-CG1 3.18Å; M889-F912 HydrophobicContact CB-CE1 3.96Å; M889-F912 HydrophobicContact CB-CZ 4.15Å; M889-F912 HydrophobicContact CE-CD1 3.62Å; M889-F912 HydrophobicContact CE-CD2 4.49Å; M889-F912 HydrophobicContact CE-CE1 3.67Å; M889-F912 HydrophobicContact CE-CG 4.05Å; M889-F912 HydrophobicContact CE-CZ 4.13Å; M889-F912 HydrophobicContact CG-CE1 4.16Å; M889-F912 HydrophobicContact CG-CZ 4.03Å; M889-V915 HydrophobicContact CE-CG2 3.59Å
890F90.1Very high85.1Confident3 Ų356 Ų561%0.01328%0.284CS..EExtended strand (participates in β ladder)trans-127138-175.9-57.3-79.8000110.9L883 L899 W900 F901 S902 V915 F933L883-F890 HydrophobicContact CD2-CD2 4.01Å; L883-F890 HydrophobicContact CD2-CE2 3.76Å; L883-F890 HydrophobicContact CD2-CZ 4.41Å; F890-L899 HydrophobicContact CB-CB 4.16Å; F890-L899 HydrophobicContact CB-CD2 4.24Å; F890-W900 CarbonylContact C-O 3.57Å; F890-W900 WeakPolarHBondContact CA-O 3.17Å; F890-F901 HydrophobicContact CD1-CD1 4.31Å; F890-F901 AromaticContact CE1-CD1 3.79Å; F890-F901 HydrophobicContact CE1-CD1 3.79Å; F890-F901 AromaticContact CE1-CE1 3.78Å; F890-F901 HydrophobicContact CE1-CE1 3.78Å; F890-F901 HydrophobicContact CE1-CG 4.44Å; F890-F901 HydrophobicContact CE1-CZ 4.39Å; F890-F901 HydrophobicContact CZ-CE1 4.43Å; F890-S902 PolarHBondContact N-OG 3Å; F890-V915 HydrophobicContact CZ-CG1 4.27Å; F890-F933 AromaticContact CD1-CE1 3.73Å; F890-F933 HydrophobicContact CD1-CE1 3.73Å; F890-F933 HydrophobicContact CD1-CZ 4.28Å; F890-F933 AromaticContact CE1-CE1 3.58Å; F890-F933 HydrophobicContact CE1-CE1 3.58Å; F890-F933 AromaticContact CE1-CZ 3.7Å; F890-F933 HydrophobicContact CE1-CZ 3.7Å; F890-F933 HydrophobicContact CE2-CZ 4.33Å; F890-F933 HydrophobicContact CG-CE1 4.3Å; F890-F933 HydrophobicContact CZ-CE1 4.05Å; F890-F933 AromaticContact CZ-CZ 3.74Å; F890-F933 HydrophobicContact CZ-CZ 3.74Å
891R87.2Confident85.7Confident96 Ų9650 Ų5036%0.36226%0.262SS..EExtended strand (participates in β ladder)trans-88.9131.3170.1178.4179.1176-177.1-2.8109.3Y893 L899 W900 S902 E903R891-Y893 HydrophobicContact CG-CD2 4.46Å; R891-Y893 HydrophobicContact CG-CE2 4.2Å; R891-L899 WeakPolarHBondContact O-CA 3.33Å; R891-W900 PolarHBondContact N-O 3.05Å; R891-W900 PolarHBondContact O-N 2.93Å; R891-S902 PolarHBondContact N-OG 2.86Å; R891-E903 IonicContact NH1-OE1 2.76Å; R891-E903 PolarHBondContact NH1-OE1 2.86Å; R891-E903 IonicContact NH1-OE2 2.68Å
892C88.4Confident85.9Confident46 Ų4648.6 Ų48.631%0.31126%0.255SS..EExtended strand (participates in β ladder)trans-89.4128169.6-173.80000110P885 M898 L899P885-C892 HydrophobicContact CB-CB 4.49Å; P885-C892 HydrophobicContact CG-CB 3.94Å; C892-M898 WeakPolarHBondContact CA-O 3.26Å; C892-L899 HydrophobicContact CB-CD2 3.94Å
893Y89.7Confident85.8Confident15 Ų1551.2 Ų51.26%0.05927%0.268CS..PPolyproline II helixtrans-87.1118.2175.1-78.4-106.6000109.3R891 E895 S896 R897 M898 W900 L954 D955R891-Y893 HydrophobicContact CG-CD2 4.46Å; R891-Y893 HydrophobicContact CG-CE2 4.2Å; Y893-E895 VanDerWaalsContact C-N 3.32Å; Y893-E895 PolarHBondContact O-N 3.41Å; Y893-S896 WeakPolarHBondContact CB-OG 3.26Å; Y893-S896 PolarHBondContact O-N 2.84Å; Y893-R897 VanDerWaalsContact O-CA 3.24Å; Y893-R897 WeakPolarHBondContact O-CA 3.15Å; Y893-R897 PolarHBondContact O-N 2.79Å; Y893-M898 PolarHBondContact N-O 3.33Å; Y893-W900 HydrophobicContact CD2-CB 4.41Å; Y893-W900 HydrophobicContact CE2-CB 3.79Å; Y893-L954 WeakPolarHBondContact CB-O 3.34Å; Y893-L954 HydrophobicContact CD1-CD1 4.4Å; Y893-L954 HydrophobicContact CD1-CG 4.24Å; Y893-L954 HydrophobicContact CD2-CD1 3.52Å; Y893-L954 HydrophobicContact CD2-CG 4.12Å; Y893-L954 HydrophobicContact CE1-CD2 4.47Å; Y893-L954 HydrophobicContact CE1-CG 4.17Å; Y893-L954 HydrophobicContact CE2-CD1 3.79Å; Y893-L954 HydrophobicContact CE2-CD2 4.15Å; Y893-L954 HydrophobicContact CE2-CG 4.08Å; Y893-L954 HydrophobicContact CG-CD1 3.86Å; Y893-L954 HydrophobicContact CG-CG 4.2Å; Y893-D955 HydrophobicContact CD1-CB 3.78Å; Y893-D955 HydrophobicContact CE1-CB 3.9Å
894P86.1Confident85.6Confident107 Ų10752.6 Ų52.670%0.69528%0.279SS*.THydrogen-bonded Turntrans-57.5-38.3-168.7-28.234.8000115.2
895E88.2Confident85.7Confident127 Ų12751.2 Ų51.259%0.59327%0.272SS*.THydrogen-bonded Turntrans-77.6-41.4-174-62.3-60.9148.900113Y893 P956 I957Y893-E895 VanDerWaalsContact C-N 3.32Å; Y893-E895 PolarHBondContact O-N 3.41Å; E895-P956 HydrophobicContact CB-CG 4.3Å; E895-I957 HydrophobicContact CG-CD1 3.65Å; E895-I957 HydrophobicContact CG-CG1 4.08Å
896S89.8Confident85.9Confident29 Ų2956.1 Ų56.120%0.20329%0.293CS..THydrogen-bonded Turntrans-91.6-18.6-178.861.60000112.9Y893 M898 E953 L954Y893-S896 WeakPolarHBondContact CB-OG 3.26Å; Y893-S896 PolarHBondContact O-N 2.84Å; S896-M898 PolarHBondContact O-N 3.04Å; S896-M898 PolarHBondContact OG-N 3.1Å; S896-E953 WeakPolarHBondContact CB-O 3.22Å; S896-L954 VanDerWaalsContact CB-O 3.31Å; S896-L954 WeakPolarHBondContact CB-O 3.38Å; S896-L954 PolarHBondContact OG-O 3.33Å
897R87.6Confident86.4Confident163 Ų16352.7 Ų52.762%0.61527%0.268SS*.  trans54.125.3-168.2-65.4-169.9-97.6-176.5-7.3113.6Y893Y893-R897 VanDerWaalsContact O-CA 3.24Å; Y893-R897 WeakPolarHBondContact O-CA 3.15Å; Y893-R897 PolarHBondContact O-N 2.79Å
898M90.6Very high86.9Confident37 Ų3751.4 Ų51.418%0.18227%0.272CS..  trans-89.7148.1177.1-66.8-173.4175.900111.5C892 Y893 S896 S932 P934 E953 L954C892-M898 WeakPolarHBondContact CA-O 3.26Å; Y893-M898 PolarHBondContact N-O 3.33Å; S896-M898 PolarHBondContact O-N 3.04Å; S896-M898 PolarHBondContact OG-N 3.1Å; M898-S932 CarbonylContact C-O 3.1Å; M898-S932 WeakPolarHBondContact CA-O 3.21Å; M898-S932 WeakPolarHBondContact CB-O 3.42Å; M898-P934 HydrophobicContact SD-CB 3.65Å; M898-E953 HydrophobicContact CE-CG 3.64Å; M898-E953 WeakPolarHBondContact CE-OE1 3.32Å; M898-E953 HydrophobicContact SD-CG 3.81Å; M898-L954 HydrophobicContact CB-CD1 4.01Å
899L90.9Very high87.3Confident0 Ų055.7 Ų55.70%028%0.284CS..EExtended strand (participates in β ladder)trans-94.5133.8175.7-64.9178.6000109.9L883 P885 F890 R891 C892 S932 F933 P934 L1174L883-L899 HydrophobicContact CB-CD1 3.91Å; L883-L899 HydrophobicContact CD2-CD1 4.21Å; P885-L899 HydrophobicContact CG-CD2 4.13Å; F890-L899 HydrophobicContact CB-CB 4.16Å; F890-L899 HydrophobicContact CB-CD2 4.24Å; R891-L899 WeakPolarHBondContact O-CA 3.33Å; C892-L899 HydrophobicContact CB-CD2 3.94Å; L899-S932 PolarHBondContact N-O 2.75Å; L899-F933 HydrophobicContact CB-CD1 3.87Å; L899-F933 HydrophobicContact CB-CE1 3.91Å; L899-F933 WeakPolarHBondContact O-CD1 3.45Å; L899-P934 WeakPolarHBondContact O-CD 3.15Å; L899-L1174 HydrophobicContact CD1-CD1 4.02Å; L899-L1174 HydrophobicContact CD2-CD1 4.06Å; L899-L1174 HydrophobicContact CG-CD1 3.99Å
900W93.3Very high87.4Confident1 Ų159.5 Ų59.50%0.00430%0.304CS..EExtended strand (participates in β ladder)trans-135161.3168.4-163.4-115.4000110.3F890 R891 Y893 S902 P934 A936 M937 K940 L954 V1021 F1022F890-W900 CarbonylContact C-O 3.57Å; F890-W900 WeakPolarHBondContact CA-O 3.17Å; R891-W900 PolarHBondContact N-O 3.05Å; R891-W900 PolarHBondContact O-N 2.93Å; Y893-W900 HydrophobicContact CD2-CB 4.41Å; Y893-W900 HydrophobicContact CE2-CB 3.79Å; W900-S902 PolarHBondContact O-N 2.92Å; W900-P934 HydrophobicContact CD2-CG 4.47Å; W900-P934 HydrophobicContact CE3-CG 3.41Å; W900-P934 VanDerWaalsContact CE3-CG 3.41Å; W900-P934 HydrophobicContact CZ3-CG 3.59Å; W900-A936 HydrophobicContact CH2-CB 4.06Å; W900-A936 HydrophobicContact CZ3-CB 4.09Å; W900-M937 HydrophobicContact CE3-CE 4.29Å; W900-M937 HydrophobicContact CZ3-CB 3.97Å; W900-M937 HydrophobicContact CZ3-CE 3.92Å; W900-M937 HydrophobicContact CZ3-SD 4.44Å; W900-K940 HydrophobicContact CH2-CD 3.99Å; W900-K940 HydrophobicContact CZ2-CD 4.29Å; W900-L954 HydrophobicContact CB-CD1 4Å; W900-L954 HydrophobicContact CB-CD2 4.08Å; W900-L954 HydrophobicContact CD2-CD2 4.25Å; W900-L954 HydrophobicContact CG-CD2 3.92Å; W900-V1021 PolarHBondContact NE1-O 3.39Å; W900-F1022 HydrophobicContact CD2-CD1 4.48Å; W900-F1022 AromaticContact CE2-CD1 3.76Å; W900-F1022 AromaticContact CH2-CD1 3.87Å; W900-F1022 HydrophobicContact CH2-CD1 3.87Å; W900-F1022 HydrophobicContact CH2-CE1 4.36Å; W900-F1022 HydrophobicContact CZ2-CB 4.49Å; W900-F1022 AromaticContact CZ2-CD1 3.47Å; W900-F1022 HydrophobicContact CZ2-CD1 3.47Å; W900-F1022 VanDerWaalsContact CZ2-CD1 3.47Å; W900-F1022 HydrophobicContact CZ2-CE1 4.21Å; W900-F1022 HydrophobicContact CZ2-CG 4.45Å
901F92.6Very high87.4Confident1 Ų159.6 Ų59.60%0.00431%0.305CS..EExtended strand (participates in β ladder)trans-58.7133.7179.5-61.6-83.5000111F890 F912 M937 C1026 P1029 Y1030 F1033F890-F901 HydrophobicContact CD1-CD1 4.31Å; F890-F901 AromaticContact CE1-CD1 3.79Å; F890-F901 HydrophobicContact CE1-CD1 3.79Å; F890-F901 AromaticContact CE1-CE1 3.78Å; F890-F901 HydrophobicContact CE1-CE1 3.78Å; F890-F901 HydrophobicContact CE1-CG 4.44Å; F890-F901 HydrophobicContact CE1-CZ 4.39Å; F890-F901 HydrophobicContact CZ-CE1 4.43Å; F901-F912 HydrophobicContact CD1-CD1 4.02Å; F901-F912 AromaticContact CD1-CE1 3.97Å; F901-F912 HydrophobicContact CD1-CE1 3.97Å; F901-F912 AromaticContact CE1-CD1 3.96Å; F901-F912 HydrophobicContact CE1-CD1 3.96Å; F901-F912 HydrophobicContact CE1-CE1 4.37Å; F901-M937 HydrophobicContact CD2-CE 4.25Å; F901-M937 HydrophobicContact CE2-CE 3.35Å; F901-M937 HydrophobicContact CE2-SD 3.84Å; F901-M937 HydrophobicContact CZ-CE 3.64Å; F901-M937 HydrophobicContact CZ-SD 4.04Å; F901-C1026 HydrophobicContact CB-CB 3.55Å; F901-C1026 HydrophobicContact CD2-CB 3.81Å; F901-C1026 HydrophobicContact CG-CB 3.9Å; F901-P1029 HydrophobicContact CB-CG 4.27Å; F901-P1029 HydrophobicContact CD1-CB 3.79Å; F901-P1029 HydrophobicContact CD1-CG 4.17Å; F901-P1029 HydrophobicContact CE1-CB 4.29Å; F901-P1029 HydrophobicContact CG-CB 4.49Å; F901-P1029 HydrophobicContact CG-CG 4.4Å; F901-Y1030 AromaticContact CE2-CD2 3.79Å; F901-Y1030 HydrophobicContact CE2-CD2 3.79Å; F901-Y1030 HydrophobicContact CE2-CG 4.39Å; F901-Y1030 HydrophobicContact CZ-CD2 4.08Å; F901-F1033 HydrophobicContact CE1-CB 4.06Å; F901-F1033 HydrophobicContact CE1-CG 4.42Å; F901-F1033 HydrophobicContact CZ-CB 3.95Å; F901-F1033 HydrophobicContact CZ-CD1 4.13Å; F901-F1033 HydrophobicContact CZ-CG 4.01Å
902S87.5Confident87.6Confident18 Ų1855.2 Ų55.213%0.12629%0.288CS..  trans-65.4137.1172-56.40000110.4G888 M889 F890 R891 W900 S904G888-S902 WeakPolarHBondContact O-CB 3.4Å; G888-S902 PolarHBondContact O-OG 3.14Å; M889-S902 PolarHBondContact O-N 2.84Å; M889-S902 VanDerWaalsContact O-N 3.16Å; M889-S902 PolarHBondContact O-OG 3.1Å; F890-S902 PolarHBondContact N-OG 3Å; R891-S902 PolarHBondContact N-OG 2.86Å; W900-S902 PolarHBondContact O-N 2.92Å; S902-S904 WeakPolarHBondContact CB-O 3.45Å; S902-S904 PolarHBondContact O-N 3.42Å
903E82Confident87.9Confident56 Ų5654.1 Ų54.126%0.26228%0.279SS..SBendtrans-65.8-23.5178.5-57.894.4149.400112.5R891 I985R891-E903 IonicContact NH1-OE1 2.76Å; R891-E903 PolarHBondContact NH1-OE1 2.86Å; R891-E903 IonicContact NH1-OE2 2.68Å; E903-I985 HydrophobicContact CB-CD1 4.48Å
904S78.3Confident88Confident41 Ų4153.6 Ų53.629%0.28728%0.277SS..SBendtrans-134.4126.4171.256.30000110S902S902-S904 WeakPolarHBondContact CB-O 3.45Å; S902-S904 PolarHBondContact O-N 3.42Å
905T82Confident88.2Confident43 Ų4348.5 Ų48.526%0.26424%0.244SC..  trans-135.7142.2177.3-173.30000108.8E907 F912T905-E907 VanDerWaalsContact C-N 3.31Å; T905-E907 PolarHBondContact OG1-N 2.75Å; T905-F912 HydrophobicContact CG2-CE2 3.67Å; T905-F912 HydrophobicContact CG2-CZ 3.66Å
906M80.6Confident88.4Confident151 Ų15142.4 Ų42.474%0.74422%0.216SC*.  trans-88.9-6.6172.4-63.9-66.1148.200111.6F988M906-F988 HydrophobicContact CE-CE2 4.37Å; M906-F988 HydrophobicContact CE-CZ 4.06Å
907E84.6Confident88.6Confident60 Ų6041.1 Ų41.128%0.2821%0.207SC..SBendtrans-74.9146.8-179.1-64.6-58.4125.200111.4Y887 M889 T905 V911 F912Y887-E907 HydrophobicContact CD1-CG 4.36Å; Y887-E907 HydrophobicContact CE1-CG 3.85Å; Y887-E907 WeakPolarHBondContact CE1-OE2 3.33Å; Y887-E907 PolarHBondContact OH-OE2 3.08Å; M889-E907 HydrophobicContact CG-CB 4.2Å; M889-E907 HydrophobicContact CG-CG 3.75Å; T905-E907 VanDerWaalsContact C-N 3.31Å; T905-E907 PolarHBondContact OG1-N 2.75Å; E907-V911 HydrophobicContact CB-CB 4.49Å; E907-V911 HydrophobicContact CB-CG2 4.39Å; E907-F912 HydrophobicContact CB-CE2 4.12Å
908S87Confident88.7Confident56 Ų5633.4 Ų33.439%0.39218%0.177SC..  trans-73.2154.8177.373.30000111.9N910 V911S908-N910 PolarHBondContact O-N 3.09Å; S908-V911 PolarHBondContact O-N 3.08Å
909E89.2Confident88.7Confident120 Ų12031.7 Ų31.756%0.56117%0.169SC*.Hα-helixtrans-52.1-29.4172.1-68179.8-151.400112.8V911 F912 L913 T1028 A1032E909-V911 VanDerWaalsContact C-N 3.26Å; E909-V911 PolarHBondContact O-N 3.37Å; E909-F912 PolarHBondContact O-N 2.64Å; E909-L913 WeakPolarHBondContact O-CB 3.35Å; E909-L913 PolarHBondContact O-N 2.97Å; E909-T1028 HydrophobicContact CG-CG2 3.83Å; E909-T1028 WeakPolarHBondContact OE1-CG2 3.45Å; E909-A1032 HydrophobicContact CB-CB 4.03Å; E909-A1032 WeakPolarHBondContact O-CB 3.47Å
910N89.6Confident88.6Confident80 Ų8031.7 Ų31.743%0.42817%0.169SC..Hα-helixtrans-64.6-28.4179.2-66-35.7000113L840 T844 S908 L913 M914L840-N910 HydrophobicContact CD1-CB 4.08Å; L840-N910 WeakPolarHBondContact CD1-O 3.4Å; T844-N910 HydrophobicContact CG2-CB 4.21Å; S908-N910 PolarHBondContact O-N 3.09Å; N910-L913 WeakPolarHBondContact O-CB 3.49Å; N910-M914 WeakPolarHBondContact O-CB 3.2Å; N910-M914 PolarHBondContact O-N 3.17Å
911V90.3Very high88.4Confident4 Ų431.8 Ų31.82%0.02417%0.17CC..Hα-helixtrans-73.7-40.8178.3-1650000110.1L840 L882 Y887 M889 E907 S908 E909 M914 V915L840-V911 HydrophobicContact CD2-CG2 4.21Å; L882-V911 HydrophobicContact CD2-CG1 4Å; Y887-V911 HydrophobicContact CE1-CG1 4.36Å; M889-V911 HydrophobicContact CE-CB 4.05Å; M889-V911 HydrophobicContact CE-CG1 3.59Å; M889-V911 HydrophobicContact SD-CB 4.35Å; M889-V911 HydrophobicContact SD-CG1 3.48Å; M889-V911 WeakPolarHBondContact SD-CG1 3.18Å; E907-V911 HydrophobicContact CB-CB 4.49Å; E907-V911 HydrophobicContact CB-CG2 4.39Å; S908-V911 PolarHBondContact O-N 3.08Å; E909-V911 VanDerWaalsContact C-N 3.26Å; E909-V911 PolarHBondContact O-N 3.37Å; V911-M914 HydrophobicContact CG1-CE 4.05Å; V911-M914 WeakPolarHBondContact O-CB 3.44Å; V911-M914 PolarHBondContact O-N 3.03Å; V911-V915 WeakPolarHBondContact O-CG2 3.47Å; V911-V915 PolarHBondContact O-N 2.74Å
912F92.4Very high88Confident4 Ų431.8 Ų31.82%0.01817%0.17CC..Hα-helixtrans-65.2-41172.5-63.6-78.2000112M889 F901 T905 E907 E909 M914 V915 G916 P1029 A1032 F1033M889-F912 HydrophobicContact CB-CE1 3.96Å; M889-F912 HydrophobicContact CB-CZ 4.15Å; M889-F912 HydrophobicContact CE-CD1 3.62Å; M889-F912 HydrophobicContact CE-CD2 4.49Å; M889-F912 HydrophobicContact CE-CE1 3.67Å; M889-F912 HydrophobicContact CE-CG 4.05Å; M889-F912 HydrophobicContact CE-CZ 4.13Å; M889-F912 HydrophobicContact CG-CE1 4.16Å; M889-F912 HydrophobicContact CG-CZ 4.03Å; F901-F912 HydrophobicContact CD1-CD1 4.02Å; F901-F912 AromaticContact CD1-CE1 3.97Å; F901-F912 HydrophobicContact CD1-CE1 3.97Å; F901-F912 AromaticContact CE1-CD1 3.96Å; F901-F912 HydrophobicContact CE1-CD1 3.96Å; F901-F912 HydrophobicContact CE1-CE1 4.37Å; T905-F912 HydrophobicContact CG2-CE2 3.67Å; T905-F912 HydrophobicContact CG2-CZ 3.66Å; E907-F912 HydrophobicContact CB-CE2 4.12Å; E909-F912 PolarHBondContact O-N 2.64Å; F912-M914 VanDerWaalsContact C-N 3.29Å; F912-M914 PolarHBondContact O-N 2.95Å; F912-V915 PolarHBondContact O-N 2.69Å; F912-G916 PolarHBondContact O-N 3.26Å; F912-P1029 HydrophobicContact CD1-CB 3.66Å; F912-P1029 HydrophobicContact CD2-CB 3.85Å; F912-P1029 HydrophobicContact CE1-CB 3.65Å; F912-P1029 HydrophobicContact CE2-CB 3.85Å; F912-P1029 HydrophobicContact CG-CB 3.77Å; F912-P1029 HydrophobicContact CZ-CB 3.75Å; F912-A1032 HydrophobicContact CB-CB 3.82Å; F912-F1033 HydrophobicContact CB-CB 4.48Å; F912-F1033 WeakPolarHBondContact O-CA 3.34Å
913L92.9Very high87.8Confident23 Ų2331.4 Ų31.412%0.1217%0.166CC..Hα-helixtrans-55.4-45.8170.8-176.978000111.1E909 N910 G916 I917 A1032 K1035E909-L913 WeakPolarHBondContact O-CB 3.35Å; E909-L913 PolarHBondContact O-N 2.97Å; N910-L913 WeakPolarHBondContact O-CB 3.49Å; L913-G916 PolarHBondContact O-N 2.8Å; L913-I917 HydrophobicContact CD2-CD1 4.44Å; L913-I917 HydrophobicContact CG-CD1 4.01Å; L913-I917 WeakPolarHBondContact O-CG1 3.41Å; L913-I917 PolarHBondContact O-N 2.88Å; L913-A1032 WeakPolarHBondContact CA-O 3.47Å; L913-A1032 WeakPolarHBondContact CD1-O 3.29Å; L913-K1035 HydrophobicContact CD1-CB 4.05Å; L913-K1035 HydrophobicContact CD1-CD 3.99Å; L913-K1035 HydrophobicContact CD1-CG 3.84Å
914M91.9Very high87.8Confident4 Ų429.7 Ų29.72%0.0216%0.158CC..Hα-helixtrans-59.7-46.6175.7162.9166.691.300112.3T839 L840 L843 L882 N910 V911 F912 G916 I917 L918T839-M914 HydrophobicContact CG2-CG 4.42Å; T839-M914 HydrophobicContact CG2-SD 3.71Å; L840-M914 WeakPolarHBondContact CA-SD 3.33Å; L840-M914 HydrophobicContact CB-CE 4.23Å; L840-M914 HydrophobicContact CB-SD 3.71Å; L840-M914 HydrophobicContact CD1-CB 3.93Å; L840-M914 HydrophobicContact CD1-CE 4.41Å; L840-M914 HydrophobicContact CD1-SD 3.96Å; L840-M914 HydrophobicContact CG-SD 4.46Å; L840-M914 PolarHBondContact N-SD 2.87Å; L840-M914 VanDerWaalsContact N-SD 3.38Å; L843-M914 HydrophobicContact CD1-CB 4.08Å; L843-M914 HydrophobicContact CD1-CG 3.64Å; L843-M914 HydrophobicContact CD1-SD 4.23Å; L882-M914 HydrophobicContact CD1-CE 4Å; L882-M914 HydrophobicContact CD2-CE 3.63Å; L882-M914 HydrophobicContact CG-CE 4.33Å; N910-M914 WeakPolarHBondContact O-CB 3.2Å; N910-M914 PolarHBondContact O-N 3.17Å; V911-M914 HydrophobicContact CG1-CE 4.05Å; V911-M914 WeakPolarHBondContact O-CB 3.44Å; V911-M914 PolarHBondContact O-N 3.03Å; F912-M914 VanDerWaalsContact C-N 3.29Å; F912-M914 PolarHBondContact O-N 2.95Å; M914-G916 VanDerWaalsContact C-N 3.27Å; M914-G916 PolarHBondContact O-N 3.24Å; M914-I917 PolarHBondContact O-N 2.76Å; M914-L918 HydrophobicContact CG-CD1 3.78Å; M914-L918 HydrophobicContact CG-CG 4.28Å; M914-L918 WeakPolarHBondContact O-CB 3.37Å; M914-L918 WeakPolarHBondContact O-CG 3.49Å; M914-L918 PolarHBondContact O-N 2.76Å
915V91.4Very high87.8Confident0 Ų029 Ų290%015%0.151CC..Hα-helixtrans-58.1-43.1176.7-179.20000110.6M879 L882 M889 F890 V911 F912 L918 C919 F1033M879-V915 HydrophobicContact CE-CG1 4.44Å; L882-V915 HydrophobicContact CB-CG2 4.5Å; L882-V915 HydrophobicContact CD1-CG2 4.05Å; L882-V915 HydrophobicContact CD2-CG2 4.21Å; L882-V915 HydrophobicContact CG-CG2 4.48Å; M889-V915 HydrophobicContact CE-CG2 3.59Å; F890-V915 HydrophobicContact CZ-CG1 4.27Å; V911-V915 WeakPolarHBondContact O-CG2 3.47Å; V911-V915 PolarHBondContact O-N 2.74Å; F912-V915 PolarHBondContact O-N 2.69Å; V915-L918 PolarHBondContact O-N 2.77Å; V915-C919 PolarHBondContact O-N 2.77Å; V915-C919 PolarHBondContact O-SG 3.42Å; V915-F1033 HydrophobicContact CB-CD2 4.16Å; V915-F1033 HydrophobicContact CG1-CD2 3.95Å; V915-F1033 HydrophobicContact CG1-CE2 3.88Å
916G92.2Very high87.5Confident0 Ų030.8 Ų30.80%017%0.165CC..Hα-helixtrans-59.3-48.5175.300000112.8F912 L913 M914 L918 C919 G920 F1033 G1036 F1037F912-G916 PolarHBondContact O-N 3.26Å; L913-G916 PolarHBondContact O-N 2.8Å; M914-G916 VanDerWaalsContact C-N 3.27Å; M914-G916 PolarHBondContact O-N 3.24Å; G916-L918 PolarHBondContact O-N 3.09Å; G916-C919 PolarHBondContact O-N 3.26Å; G916-G920 PolarHBondContact O-N 2.55Å; G916-F1033 WeakPolarHBondContact CA-O 3.31Å; G916-G1036 VanDerWaalsContact C-C 3.42Å; G916-F1037 VanDerWaalsContact C-N 3.33Å; G916-F1037 VanDerWaalsContact O-CA 3.26Å; G916-F1037 WeakPolarHBondContact O-CA 3.46Å; G916-F1037 PolarHBondContact O-N 2.81Å
917I92.9Very high87.3Confident2 Ų224.7 Ų24.71%0.0114%0.135CC..Hα-helixtrans-60.9-44.6177.7-66.6163.3000110.6L843 F851 L913 M914 C919 G920 L921 G1036 V1040L843-I917 HydrophobicContact CB-CD1 4.45Å; L843-I917 HydrophobicContact CD1-CB 4.31Å; L843-I917 HydrophobicContact CD1-CG2 4.1Å; L843-I917 HydrophobicContact CD2-CG2 3.9Å; F851-I917 HydrophobicContact CD1-CG2 4.4Å; F851-I917 HydrophobicContact CD2-CG2 4.37Å; F851-I917 HydrophobicContact CE1-CG2 4.35Å; F851-I917 HydrophobicContact CE2-CD1 3.75Å; F851-I917 HydrophobicContact CE2-CG1 4.17Å; F851-I917 HydrophobicContact CE2-CG2 4.32Å; F851-I917 HydrophobicContact CG-CG2 4.43Å; F851-I917 HydrophobicContact CZ-CD1 3.83Å; F851-I917 HydrophobicContact CZ-CG2 4.32Å; L913-I917 HydrophobicContact CD2-CD1 4.44Å; L913-I917 HydrophobicContact CG-CD1 4.01Å; L913-I917 WeakPolarHBondContact O-CG1 3.41Å; L913-I917 PolarHBondContact O-N 2.88Å; M914-I917 PolarHBondContact O-N 2.76Å; I917-C919 PolarHBondContact O-N 2.93Å; I917-G920 PolarHBondContact O-N 2.91Å; I917-L921 HydrophobicContact CG2-CD1 3.81Å; I917-L921 HydrophobicContact CG2-CG 4.12Å; I917-L921 WeakPolarHBondContact O-CB 3.31Å; I917-L921 WeakPolarHBondContact O-CG 3.24Å; I917-L921 PolarHBondContact O-N 2.82Å; I917-G1036 WeakPolarHBondContact CA-O 3.22Å; I917-G1036 WeakPolarHBondContact CG1-O 3.36Å; I917-V1040 HydrophobicContact CG2-CG2 4.02Å
918L91.3Very high86.8Confident0 Ų023.5 Ų23.50%013%0.13CC..Hα-helixtrans-62-43.7178.7-72.1170.3000111.7T839 L843 F874 F875 V878 M879 L882 M914 V915 G916 G920 L921 A922T839-L918 HydrophobicContact CG2-CD1 4.41Å; T839-L918 HydrophobicContact CG2-CD2 4.2Å; L843-L918 HydrophobicContact CD1-CD2 4.4Å; L843-L918 HydrophobicContact CD1-CG 4.28Å; F874-L918 HydrophobicContact CE1-CD2 4.04Å; F874-L918 HydrophobicContact CZ-CD2 4.1Å; F875-L918 HydrophobicContact CE1-CB 4.39Å; F875-L918 HydrophobicContact CE1-CD2 3.99Å; F875-L918 WeakPolarHBondContact CE1-O 3.34Å; V878-L918 HydrophobicContact CG1-CD1 4.01Å; V878-L918 HydrophobicContact CG1-CD2 4.33Å; V878-L918 HydrophobicContact CG2-CD1 3.97Å; M879-L918 HydrophobicContact SD-CB 4.02Å; M879-L918 HydrophobicContact SD-CD1 4.13Å; L882-L918 HydrophobicContact CD1-CD1 3.56Å; M914-L918 HydrophobicContact CG-CD1 3.78Å; M914-L918 HydrophobicContact CG-CG 4.28Å; M914-L918 WeakPolarHBondContact O-CB 3.37Å; M914-L918 WeakPolarHBondContact O-CG 3.49Å; M914-L918 PolarHBondContact O-N 2.76Å; V915-L918 PolarHBondContact O-N 2.77Å; G916-L918 PolarHBondContact O-N 3.09Å; L918-G920 VanDerWaalsContact C-N 3.31Å; L918-G920 PolarHBondContact O-N 3.06Å; L918-L921 PolarHBondContact O-N 2.75Å; L918-A922 WeakPolarHBondContact O-CB 3.2Å; L918-A922 PolarHBondContact O-N 3.22Å
919C89.3Confident86.2Confident2 Ų221.1 Ų21.11%0.01411%0.113CC..Hα-helixtrans-59.2-43.5174.4-67.20000111.3V915 G916 I917 A922 I923 F1037V915-C919 PolarHBondContact O-N 2.77Å; V915-C919 PolarHBondContact O-SG 3.42Å; G916-C919 PolarHBondContact O-N 3.26Å; I917-C919 PolarHBondContact O-N 2.93Å; C919-A922 PolarHBondContact O-N 3.26Å; C919-I923 WeakPolarHBondContact O-CG1 3.35Å; C919-I923 PolarHBondContact O-N 2.92Å; C919-F1037 HydrophobicContact CB-CD2 3.91Å; C919-F1037 HydrophobicContact CB-CE2 4.23Å
920G88.9Confident85.4Confident0 Ų017.8 Ų17.80%010%0.099CC..Hα-helixtrans-66.5-41.1176.900000113.6G916 I917 L918 A922 I923 Y924 V1040 C1041G916-G920 PolarHBondContact O-N 2.55Å; I917-G920 PolarHBondContact O-N 2.91Å; L918-G920 VanDerWaalsContact C-N 3.31Å; L918-G920 PolarHBondContact O-N 3.06Å; G920-A922 VanDerWaalsContact C-N 3.34Å; G920-I923 PolarHBondContact O-N 3.04Å; G920-Y924 PolarHBondContact O-N 2.83Å; G920-Y924 VanDerWaalsContact O-N 3.12Å; G920-V1040 VanDerWaalsContact C-CG1 3.48Å; G920-V1040 WeakPolarHBondContact O-CG1 3.18Å; G920-C1041 PolarHBondContact O-SG 3.27Å
921L88.9Confident84.9Confident2 Ų214.1 Ų14.11%0.018%0.08CC..Hα-helixtrans-66.3-37.4176.7-73.3174000111.6F826 L843 F851 F875 I917 L918 I923 Y924 N925 V1040F826-L921 HydrophobicContact CE1-CD1 4.42Å; L843-L921 HydrophobicContact CD2-CD1 4.36Å; F851-L921 HydrophobicContact CB-CD2 4.47Å; F875-L921 HydrophobicContact CE1-CB 4.25Å; F875-L921 HydrophobicContact CZ-CB 3.79Å; I917-L921 HydrophobicContact CG2-CD1 3.81Å; I917-L921 HydrophobicContact CG2-CG 4.12Å; I917-L921 WeakPolarHBondContact O-CB 3.31Å; I917-L921 WeakPolarHBondContact O-CG 3.24Å; I917-L921 PolarHBondContact O-N 2.82Å; L918-L921 PolarHBondContact O-N 2.75Å; L921-I923 VanDerWaalsContact C-N 3.35Å; L921-I923 PolarHBondContact O-N 2.68Å; L921-Y924 PolarHBondContact O-N 3.07Å; L921-N925 WeakPolarHBondContact O-CB 3.29Å; L921-N925 PolarHBondContact O-N 3.45Å; L921-N925 PolarHBondContact O-ND2 2.78Å; L921-V1040 HydrophobicContact CD2-CG1 4.19Å; L921-V1040 HydrophobicContact CD2-CG2 4.48Å; L921-V1040 HydrophobicContact CG-CG1 4.5Å; L921-V1040 HydrophobicContact CG-CG2 4.3Å
922A85.2Confident84.5Confident1 Ų115.4 Ų15.41%0.0089%0.089CC..Hα-helixtrans-60.2-45.4175.900000111.4F875 L918 C919 G920 N925 S926 I927 V929F875-A922 HydrophobicContact CD1-CB 4.13Å; F875-A922 HydrophobicContact CE1-CB 3.94Å; F875-A922 HydrophobicContact CZ-CB 4.46Å; L918-A922 WeakPolarHBondContact O-CB 3.2Å; L918-A922 PolarHBondContact O-N 3.22Å; C919-A922 PolarHBondContact O-N 3.26Å; G920-A922 VanDerWaalsContact C-N 3.34Å; A922-N925 CarbonylContact O-C 3.53Å; A922-N925 PolarHBondContact O-N 3.43Å; A922-S926 PolarHBondContact O-N 3Å; A922-S926 VanDerWaalsContact O-N 3.07Å; A922-I927 HydrophobicContact CB-CB 4.33Å; A922-I927 PolarHBondContact O-N 3.23Å; A922-V929 HydrophobicContact CB-CG2 3.43Å; A922-V929 VanDerWaalsContact CB-CG2 3.43Å
923I82.6Confident84.5Confident10 Ų1015.3 Ų15.35%0.0519%0.089CC..Hα-helixtrans-59.3-51.3174.9-62.2167.8000110.8L783 C919 G920 L921 N925 S926 F1037 L1057 V1058L783-I923 HydrophobicContact CD1-CG2 4.1Å; L783-I923 HydrophobicContact CD2-CG2 3.39Å; L783-I923 HydrophobicContact CG-CG2 4.43Å; C919-I923 WeakPolarHBondContact O-CG1 3.35Å; C919-I923 PolarHBondContact O-N 2.92Å; G920-I923 PolarHBondContact O-N 3.04Å; L921-I923 VanDerWaalsContact C-N 3.35Å; L921-I923 PolarHBondContact O-N 2.68Å; I923-N925 PolarHBondContact O-N 3.01Å; I923-S926 PolarHBondContact O-N 3.13Å; I923-F1037 HydrophobicContact CD1-CE2 3.61Å; I923-F1037 HydrophobicContact CD1-CZ 3.65Å; I923-L1057 HydrophobicContact CG2-CD2 3.9Å; I923-L1057 HydrophobicContact CG2-CG 4.44Å; I923-V1058 HydrophobicContact CD1-CG2 3.63Å; I923-V1058 HydrophobicContact CG1-CG2 3.91Å
924Y81.8Confident84.5Confident21 Ų2114.2 Ų14.28%0.0828%0.083CC..Hα-helixtrans-60.8-26.5-179-92-163000114.3L783 A787 M791 G920 L921 V1040L783-Y924 HydrophobicContact CD2-CD2 4.22Å; L783-Y924 HydrophobicContact CD2-CE2 4.34Å; A787-Y924 HydrophobicContact CB-CD1 4.26Å; A787-Y924 HydrophobicContact CB-CD2 3.51Å; A787-Y924 HydrophobicContact CB-CE1 4.29Å; A787-Y924 HydrophobicContact CB-CE2 3.5Å; A787-Y924 VanDerWaalsContact CB-CE2 3.5Å; A787-Y924 HydrophobicContact CB-CG 3.89Å; M791-Y924 HydrophobicContact CE-CD1 3.78Å; M791-Y924 HydrophobicContact CE-CG 4.1Å; G920-Y924 PolarHBondContact O-N 2.83Å; G920-Y924 VanDerWaalsContact O-N 3.12Å; L921-Y924 PolarHBondContact O-N 3.07Å; Y924-V1040 HydrophobicContact CD1-CG1 3.49Å; Y924-V1040 VanDerWaalsContact CD1-CG1 3.49Å; Y924-V1040 HydrophobicContact CD2-CG1 4.48Å; Y924-V1040 HydrophobicContact CE1-CG1 3.7Å; Y924-V1040 WeakPolarHBondContact CE1-O 3.01Å; Y924-V1040 HydrophobicContact CG-CG1 3.93Å; Y924-V1040 PolarHBondContact OH-O 3.1Å
925N79.2Confident84.5Confident27 Ų2715.4 Ų15.414%0.1449%0.089CC..THydrogen-bonded Turntrans-102.610.6178.6-65.5-80.1000112.8M871 L921 A922 I923 I927M871-N925 HydrophobicContact CE-CB 4.02Å; M871-N925 HydrophobicContact SD-CB 3.75Å; L921-N925 WeakPolarHBondContact O-CB 3.29Å; L921-N925 PolarHBondContact O-N 3.45Å; L921-N925 PolarHBondContact O-ND2 2.78Å; A922-N925 CarbonylContact O-C 3.53Å; A922-N925 PolarHBondContact O-N 3.43Å; I923-N925 PolarHBondContact O-N 3.01Å; N925-I927 VanDerWaalsContact C-N 3.29Å; N925-I927 HydrophobicContact CB-CD1 4.03Å; N925-I927 HydrophobicContact CB-CG1 4.24Å; N925-I927 PolarHBondContact O-N 2.99Å
926S75.3Confident84.7Confident79 Ų7915.4 Ų15.455%0.5529%0.089SC*.THydrogen-bonded Turntrans56.139179.9-60.70000114A922 I923A922-S926 PolarHBondContact O-N 3Å; A922-S926 VanDerWaalsContact O-N 3.07Å; I923-S926 PolarHBondContact O-N 3.13Å
927I77.2Confident84.8Confident23 Ų2315.4 Ų15.412%0.1189%0.089CC..  trans-103.7124.6177.8-60.1172000108.5M871 F875 A922 N925M871-I927 HydrophobicContact CE-CD1 3.83Å; M871-I927 HydrophobicContact CE-CG1 4.5Å; M871-I927 HydrophobicContact CG-CD1 3.6Å; M871-I927 HydrophobicContact SD-CD1 3.8Å; F875-I927 HydrophobicContact CB-CG2 4.07Å; F875-I927 HydrophobicContact CD2-CD1 3.26Å; F875-I927 HydrophobicContact CD2-CG2 4.33Å; F875-I927 HydrophobicContact CE2-CD1 3.48Å; F875-I927 VanDerWaalsContact CE2-CD1 3.48Å; F875-I927 HydrophobicContact CG-CD1 4.17Å; F875-I927 HydrophobicContact CG-CG2 4.24Å; A922-I927 HydrophobicContact CB-CB 4.33Å; A922-I927 PolarHBondContact O-N 3.23Å; N925-I927 VanDerWaalsContact C-N 3.29Å; N925-I927 HydrophobicContact CB-CD1 4.03Å; N925-I927 HydrophobicContact CB-CG1 4.24Å; N925-I927 PolarHBondContact O-N 2.99Å
928I73.5Confident84.8Confident35 Ų3515.5 Ų15.518%0.1799%0.09CC..  trans-76.4135.5171.3-54.7174.1000108.5V1059 P1116I928-V1059 VanDerWaalsContact CG2-C 3.48Å; I928-V1059 WeakPolarHBondContact CG2-O 3.24Å; I928-P1116 HydrophobicContact CD1-CB 4.31Å; I928-P1116 HydrophobicContact CD1-CG 3.75Å; I928-P1116 HydrophobicContact CG1-CB 4.41Å; I928-P1116 HydrophobicContact CG1-CG 4.07Å
929V74.3Confident84.9Confident7 Ų718.8 Ų18.84%0.04210%0.102CC..  trans-118129.9172.8-174.30000107.9M879 A922 L931 V1058 V1059M879-V929 HydrophobicContact CB-CG1 3.9Å; M879-V929 HydrophobicContact CE-CG1 3.79Å; M879-V929 HydrophobicContact CG-CG1 3.59Å; M879-V929 HydrophobicContact SD-CG1 4.32Å; A922-V929 HydrophobicContact CB-CG2 3.43Å; A922-V929 VanDerWaalsContact CB-CG2 3.43Å; V929-L931 HydrophobicContact CB-CD2 4.27Å; V929-L931 HydrophobicContact CB-CG 4.12Å; V929-L931 HydrophobicContact CG1-CD2 3.51Å; V929-L931 HydrophobicContact CG1-CG 3.88Å; V929-L931 PolarHBondContact O-N 3.14Å; V929-V1058 PolarHBondContact N-O 2.86Å; V929-V1058 VanDerWaalsContact N-O 3.15Å; V929-V1059 WeakPolarHBondContact O-CA 3.46Å
930D72.1Confident85.2Confident49 Ų4919.2 Ų19.226%0.26210%0.103SC..  trans-73.182.1175.1-168.413.7000109.9G1173D930-G1173 WeakPolarHBondContact OD2-CA 3.33Å
931L78.4Confident85.4Confident3 Ų319.7 Ų19.72%0.01611%0.106CC..  trans-96.3110.4174.3-54.8-178.5000109.3M879 L883 V929 F933 V1058 V1059M879-L931 HydrophobicContact CE-CD2 3.4Å; M879-L931 VanDerWaalsContact CE-CD2 3.4Å; L883-L931 HydrophobicContact CD1-CD2 3.56Å; L883-L931 HydrophobicContact CD2-CD2 4.46Å; V929-L931 HydrophobicContact CB-CD2 4.27Å; V929-L931 HydrophobicContact CB-CG 4.12Å; V929-L931 HydrophobicContact CG1-CD2 3.51Å; V929-L931 HydrophobicContact CG1-CG 3.88Å; V929-L931 PolarHBondContact O-N 3.14Å; L931-F933 HydrophobicContact CB-CD2 3.76Å; L931-F933 HydrophobicContact CB-CE2 4.18Å; L931-F933 HydrophobicContact CB-CG 4.3Å; L931-F933 HydrophobicContact CD1-CD2 3.83Å; L931-F933 HydrophobicContact CD1-CE2 3.91Å; L931-F933 HydrophobicContact CD2-CD2 4.37Å; L931-F933 HydrophobicContact CD2-CE2 3.94Å; L931-F933 HydrophobicContact CG-CD2 4.21Å; L931-F933 HydrophobicContact CG-CE2 4.25Å; L931-F933 PolarHBondContact O-N 3.05Å; L931-V1058 HydrophobicContact CD1-CB 4.48Å; L931-V1058 HydrophobicContact CD1-CG1 3.31Å; L931-V1058 HydrophobicContact CG-CG1 4.15Å; L931-V1059 HydrophobicContact CB-CG2 4.15Å; L931-V1059 VanDerWaalsContact O-CG2 3.31Å; L931-V1059 WeakPolarHBondContact O-CG2 3.29Å
932S83.3Confident85.5Confident32 Ų3221.5 Ų21.522%0.22412%0.115CC..  trans-76.833.6171.7-55.20000113M898 L899M898-S932 CarbonylContact C-O 3.1Å; M898-S932 WeakPolarHBondContact CA-O 3.21Å; M898-S932 WeakPolarHBondContact CB-O 3.42Å; L899-S932 PolarHBondContact N-O 2.75Å
933F91.1Very high85.7Confident2 Ų224.7 Ų24.71%0.00915%0.148CC..  trans-80.2140.4178.8-63.8-38.9000111.4L883 F890 L899 L931 M937 F938 F1033 Q1055L883-F933 HydrophobicContact CD2-CE1 4.24Å; L883-F933 HydrophobicContact CD2-CZ 3.72Å; F890-F933 AromaticContact CD1-CE1 3.73Å; F890-F933 HydrophobicContact CD1-CE1 3.73Å; F890-F933 HydrophobicContact CD1-CZ 4.28Å; F890-F933 AromaticContact CE1-CE1 3.58Å; F890-F933 HydrophobicContact CE1-CE1 3.58Å; F890-F933 AromaticContact CE1-CZ 3.7Å; F890-F933 HydrophobicContact CE1-CZ 3.7Å; F890-F933 HydrophobicContact CE2-CZ 4.33Å; F890-F933 HydrophobicContact CG-CE1 4.3Å; F890-F933 HydrophobicContact CZ-CE1 4.05Å; F890-F933 AromaticContact CZ-CZ 3.74Å; F890-F933 HydrophobicContact CZ-CZ 3.74Å; L899-F933 HydrophobicContact CB-CD1 3.87Å; L899-F933 HydrophobicContact CB-CE1 3.91Å; L899-F933 WeakPolarHBondContact O-CD1 3.45Å; L931-F933 HydrophobicContact CB-CD2 3.76Å; L931-F933 HydrophobicContact CB-CE2 4.18Å; L931-F933 HydrophobicContact CB-CG 4.3Å; L931-F933 HydrophobicContact CD1-CD2 3.83Å; L931-F933 HydrophobicContact CD1-CE2 3.91Å; L931-F933 HydrophobicContact CD2-CD2 4.37Å; L931-F933 HydrophobicContact CD2-CE2 3.94Å; L931-F933 HydrophobicContact CG-CD2 4.21Å; L931-F933 HydrophobicContact CG-CE2 4.25Å; L931-F933 PolarHBondContact O-N 3.05Å; F933-M937 HydrophobicContact CB-CB 3.97Å; F933-M937 HydrophobicContact CB-CE 4.32Å; F933-M937 HydrophobicContact CB-CG 4.2Å; F933-M937 HydrophobicContact CD1-CE 3.87Å; F933-M937 HydrophobicContact CD2-CE 4.03Å; F933-M937 HydrophobicContact CD2-CG 4.27Å; F933-M937 HydrophobicContact CE1-CE 4.17Å; F933-M937 HydrophobicContact CE2-CE 4.3Å; F933-M937 HydrophobicContact CG-CE 3.82Å; F933-M937 HydrophobicContact CG-CG 4.37Å; F933-M937 HydrophobicContact CZ-CE 4.38Å; F933-F938 HydrophobicContact CB-CE2 4.2Å; F933-F1033 HydrophobicContact CE2-CE2 4.45Å; F933-Q1055 PolarHBondContact O-NE2 2.85Å
934P93Very high86.1Confident0 Ų027.6 Ų27.60%016%0.162CC..  trans-68.5164.4177.331.2-38.2000111.9M898 L899 W900 A936 M937 L954M898-P934 HydrophobicContact SD-CB 3.65Å; L899-P934 WeakPolarHBondContact O-CD 3.15Å; W900-P934 HydrophobicContact CD2-CG 4.47Å; W900-P934 HydrophobicContact CE3-CG 3.41Å; W900-P934 VanDerWaalsContact CE3-CG 3.41Å; W900-P934 HydrophobicContact CZ3-CG 3.59Å; P934-A936 HydrophobicContact CB-CB 4.4Å; P934-A936 HydrophobicContact CG-CB 4.15Å; P934-A936 PolarHBondContact O-N 2.83Å; P934-A936 VanDerWaalsContact O-N 3.09Å; P934-M937 WeakPolarHBondContact O-CB 3.4Å; P934-M937 PolarHBondContact O-N 2.83Å; P934-L954 HydrophobicContact CB-CB 4.42Å; P934-L954 HydrophobicContact CG-CD1 4.19Å
935L92.6Very high86.6Confident28 Ų2832.8 Ų32.815%0.14720%0.196CC..Hα-helixtrans-55.4-30.1175.6-168.965.3000112.4M937 F938 R939 E953 P1051 Q1055L935-M937 PolarHBondContact O-N 2.94Å; L935-F938 PolarHBondContact O-N 2.87Å; L935-R939 PolarHBondContact O-N 3.46Å; L935-E953 WeakPolarHBondContact CB-OE2 3.48Å; L935-E953 PolarHBondContact N-OE2 3.4Å; L935-P1051 VanDerWaalsContact CD1-C 3.45Å; L935-P1051 HydrophobicContact CD1-CB 3.73Å; L935-P1051 HydrophobicContact CG-CB 4.11Å; L935-Q1055 HydrophobicContact CD1-CB 4.44Å
936A95.2Very high87.3Confident0 Ų032.5 Ų32.50%020%0.195CC..Hα-helixtrans-50.1-39.4173.500000113.4W900 P934 F938 R939 K940 P946 D950 F1022W900-A936 HydrophobicContact CH2-CB 4.06Å; W900-A936 HydrophobicContact CZ3-CB 4.09Å; P934-A936 HydrophobicContact CB-CB 4.4Å; P934-A936 HydrophobicContact CG-CB 4.15Å; P934-A936 PolarHBondContact O-N 2.83Å; P934-A936 VanDerWaalsContact O-N 3.09Å; A936-F938 VanDerWaalsContact C-N 3.34Å; A936-F938 PolarHBondContact O-N 2.89Å; A936-R939 PolarHBondContact O-N 2.86Å; A936-K940 WeakPolarHBondContact O-CG 3.05Å; A936-K940 PolarHBondContact O-N 2.83Å; A936-K940 VanDerWaalsContact O-N 3.1Å; A936-P946 HydrophobicContact CB-CB 3.97Å; A936-P946 HydrophobicContact CB-CG 3.92Å; A936-D950 HydrophobicContact CB-CB 4.04Å; A936-F1022 HydrophobicContact CB-CD1 3.68Å; A936-F1022 HydrophobicContact CB-CE1 3.32Å; A936-F1022 HydrophobicContact CB-CG 4.46Å; A936-F1022 HydrophobicContact CB-CZ 3.83Å
937M94.5Very high88.1Confident1 Ų130.1 Ų30.11%0.00518%0.184CC..Hα-helixtrans-59.8-47.8178.4-176.768.374.500110.8W900 F901 F933 P934 L935 K940 L941 Y1030 F1033W900-M937 HydrophobicContact CE3-CE 4.29Å; W900-M937 HydrophobicContact CZ3-CB 3.97Å; W900-M937 HydrophobicContact CZ3-CE 3.92Å; W900-M937 HydrophobicContact CZ3-SD 4.44Å; F901-M937 HydrophobicContact CD2-CE 4.25Å; F901-M937 HydrophobicContact CE2-CE 3.35Å; F901-M937 HydrophobicContact CE2-SD 3.84Å; F901-M937 HydrophobicContact CZ-CE 3.64Å; F901-M937 HydrophobicContact CZ-SD 4.04Å; F933-M937 HydrophobicContact CB-CB 3.97Å; F933-M937 HydrophobicContact CB-CE 4.32Å; F933-M937 HydrophobicContact CB-CG 4.2Å; F933-M937 HydrophobicContact CD1-CE 3.87Å; F933-M937 HydrophobicContact CD2-CE 4.03Å; F933-M937 HydrophobicContact CD2-CG 4.27Å; F933-M937 HydrophobicContact CE1-CE 4.17Å; F933-M937 HydrophobicContact CE2-CE 4.3Å; F933-M937 HydrophobicContact CG-CE 3.82Å; F933-M937 HydrophobicContact CG-CG 4.37Å; F933-M937 HydrophobicContact CZ-CE 4.38Å; P934-M937 WeakPolarHBondContact O-CB 3.4Å; P934-M937 PolarHBondContact O-N 2.83Å; L935-M937 PolarHBondContact O-N 2.94Å; M937-K940 PolarHBondContact O-N 2.9Å; M937-L941 WeakPolarHBondContact O-CG 3.34Å; M937-L941 PolarHBondContact O-N 3.09Å; M937-Y1030 HydrophobicContact SD-CD2 4.35Å; M937-Y1030 HydrophobicContact SD-CE2 4.29Å; M937-F1033 HydrophobicContact CG-CE1 4.2Å; M937-F1033 HydrophobicContact SD-CD1 3.95Å; M937-F1033 HydrophobicContact SD-CE1 3.48Å; M937-F1033 WeakPolarHBondContact SD-CE1 3.36Å; M937-F1033 HydrophobicContact SD-CZ 4.1Å
938F93.7Very high88.9Confident4 Ų430.2 Ų30.22%0.01818%0.184CC..Hα-helixtrans-75.8-30.6-174.9-57.2-78.8000112.1F933 L935 A936 L941 L942 P1051 L1054 Q1055 V1058 V1059F933-F938 HydrophobicContact CB-CE2 4.2Å; L935-F938 PolarHBondContact O-N 2.87Å; A936-F938 VanDerWaalsContact C-N 3.34Å; A936-F938 PolarHBondContact O-N 2.89Å; F938-L941 HydrophobicContact CD1-CD1 4.34Å; F938-L942 WeakPolarHBondContact O-CG 3.49Å; F938-L942 PolarHBondContact O-N 2.92Å; F938-P1051 HydrophobicContact CB-CB 4.45Å; F938-P1051 WeakPolarHBondContact CB-O 3.13Å; F938-L1054 HydrophobicContact CB-CB 4.45Å; F938-L1054 HydrophobicContact CB-CD2 4.28Å; F938-L1054 HydrophobicContact CD1-CB 4.34Å; F938-L1054 HydrophobicContact CD1-CD2 4.03Å; F938-L1054 HydrophobicContact CD1-CG 3.8Å; F938-Q1055 HydrophobicContact CD1-CB 4.34Å; F938-Q1055 HydrophobicContact CD2-CB 3.49Å; F938-Q1055 VanDerWaalsContact CD2-CB 3.49Å; F938-Q1055 HydrophobicContact CD2-CG 3.76Å; F938-Q1055 HydrophobicContact CE1-CB 4.43Å; F938-Q1055 HydrophobicContact CE2-CB 3.64Å; F938-Q1055 HydrophobicContact CE2-CG 3.46Å; F938-Q1055 VanDerWaalsContact CE2-CG 3.46Å; F938-Q1055 HydrophobicContact CG-CB 3.86Å; F938-Q1055 HydrophobicContact CZ-CB 4.1Å; F938-Q1055 HydrophobicContact CZ-CG 4.04Å; F938-V1058 HydrophobicContact CE1-CB 4.07Å; F938-V1058 HydrophobicContact CE1-CG2 3.94Å; F938-V1058 HydrophobicContact CZ-CB 4.48Å; F938-V1059 HydrophobicContact CZ-CG2 4.13Å
939R93.4Very high89.8Confident68 Ų6834 Ų3426%0.25721%0.205SC..Hα-helixtrans-58.1-51.7167.1-76.8-170.2-173.1-75.43111.4L935 A936 L941 L942 G943 E944 P946 D950 P1051L935-R939 PolarHBondContact O-N 3.46Å; A936-R939 PolarHBondContact O-N 2.86Å; R939-L941 VanDerWaalsContact C-N 3.33Å; R939-L941 PolarHBondContact O-N 3.01Å; R939-L942 CarbonylContact O-C 3.59Å; R939-L942 PolarHBondContact O-N 2.9Å; R939-L942 VanDerWaalsContact O-N 3.07Å; R939-G943 PolarHBondContact O-N 2.81Å; R939-E944 CarbonylContact C-O 3.55Å; R939-E944 HydrophobicContact CB-CB 4.02Å; R939-E944 HydrophobicContact CG-CB 4.45Å; R939-E944 IonicContact CZ-OE2 3.48Å; R939-E944 IonicContact NH1-OE2 3.32Å; R939-E944 PolarHBondContact NH1-OE2 3.34Å; R939-E944 WeakPolarHBondContact O-CB 3.31Å; R939-E944 PolarHBondContact O-N 3.02Å; R939-P946 HydrophobicContact CB-CG 4.45Å; R939-D950 WeakPolarHBondContact CD-OD1 3.36Å; R939-D950 IonicContact CZ-OD1 3.55Å; R939-D950 IonicContact NE-OD1 3.61Å; R939-D950 PolarHBondContact NE-OD1 2.95Å; R939-D950 IonicContact NE-OD2 2.86Å; R939-D950 PolarHBondContact NE-OD2 2.91Å; R939-P1051 HydrophobicContact CB-CG 4.46Å; R939-P1051 HydrophobicContact CG-CB 3.64Å; R939-P1051 HydrophobicContact CG-CG 3.59Å
940K94.2Very high90.7Very high11 Ų1134.2 Ų34.25%0.04821%0.206CC..Hα-helixtrans-62.1-41.6-179-64.3174.867.9720111.6W900 A936 M937 L942 G943 P946 F1022 Y1030W900-K940 HydrophobicContact CH2-CD 3.99Å; W900-K940 HydrophobicContact CZ2-CD 4.29Å; A936-K940 WeakPolarHBondContact O-CG 3.05Å; A936-K940 PolarHBondContact O-N 2.83Å; A936-K940 VanDerWaalsContact O-N 3.1Å; M937-K940 PolarHBondContact O-N 2.9Å; K940-L942 PolarHBondContact O-N 2.72Å; K940-G943 WeakPolarHBondContact O-CA 3.37Å; K940-G943 PolarHBondContact O-N 3.14Å; K940-P946 HydrophobicContact CD-CG 4.18Å; K940-P946 HydrophobicContact CG-CG 3.68Å; K940-F1022 VanDerWaalsContact CE-O 3.28Å; K940-F1022 WeakPolarHBondContact CE-O 3.16Å; K940-F1022 PolarHBondContact NZ-O 3.18Å; K940-Y1030 HydrophobicContact CB-CE1 4.25Å; K940-Y1030 HydrophobicContact CB-CE2 3.57Å; K940-Y1030 VanDerWaalsContact CB-CZ 3.4Å; K940-Y1030 WeakPolarHBondContact CB-OH 3.39Å; K940-Y1030 HydrophobicContact CD-CD2 4.1Å; K940-Y1030 HydrophobicContact CD-CE2 3.86Å; K940-Y1030 VanDerWaalsContact CE-CD1 3.45Å; K940-Y1030 VanDerWaalsContact CE-CD2 3.43Å; K940-Y1030 VanDerWaalsContact CE-CE1 3.46Å; K940-Y1030 VanDerWaalsContact CE-CE2 3.41Å; K940-Y1030 VanDerWaalsContact CE-CG 3.47Å; K940-Y1030 VanDerWaalsContact CE-CZ 3.48Å; K940-Y1030 HydrophobicContact CG-CE2 4.37Å; K940-Y1030 PolarHBondContact O-OH 3.09Å; K940-Y1030 VanDerWaalsContact O-OH 3.12Å
941L93.1Very high91.8Very high10 Ų1032 Ų325%0.05219%0.194CC..Hα-helixtrans-59.4-28.6175.6-74.9176.3000113.5M937 F938 R939 G943 Y1030 F1033 E1034 F1037 L1054M937-L941 WeakPolarHBondContact O-CG 3.34Å; M937-L941 PolarHBondContact O-N 3.09Å; F938-L941 HydrophobicContact CD1-CD1 4.34Å; R939-L941 VanDerWaalsContact C-N 3.33Å; R939-L941 PolarHBondContact O-N 3.01Å; L941-G943 VanDerWaalsContact C-N 3.35Å; L941-Y1030 PolarHBondContact N-OH 2.83Å; L941-F1033 HydrophobicContact CD1-CE1 4.13Å; L941-F1033 HydrophobicContact CD2-CD1 4.43Å; L941-F1033 HydrophobicContact CD2-CE1 3.93Å; L941-F1033 HydrophobicContact CG-CE1 4.29Å; L941-E1034 HydrophobicContact CD2-CB 4.49Å; L941-E1034 HydrophobicContact CD2-CG 4.44Å; L941-F1037 HydrophobicContact CD1-CD1 4.18Å; L941-F1037 HydrophobicContact CD1-CD2 4.27Å; L941-F1037 HydrophobicContact CD1-CE1 4.09Å; L941-F1037 HydrophobicContact CD1-CE2 4.18Å; L941-F1037 HydrophobicContact CD1-CG 4.26Å; L941-F1037 HydrophobicContact CD1-CZ 4.1Å; L941-F1037 HydrophobicContact CD2-CB 4.06Å; L941-F1037 HydrophobicContact CD2-CD1 3.69Å; L941-F1037 HydrophobicContact CD2-CE1 4.3Å; L941-F1037 HydrophobicContact CD2-CG 3.88Å; L941-F1037 HydrophobicContact CG-CD1 4.45Å; L941-L1054 HydrophobicContact CB-CD2 4.3Å; L941-L1054 HydrophobicContact CD1-CD2 4.48Å
942L92.2Very high92.6Very high40 Ų4034.5 Ų34.521%0.20921%0.205CC..THydrogen-bonded Turntrans-88.8-0.7175.1-64.8173.8000113.2F938 R939 K940 L1046 F1049 P1051 L1054F938-L942 WeakPolarHBondContact O-CG 3.49Å; F938-L942 PolarHBondContact O-N 2.92Å; R939-L942 CarbonylContact O-C 3.59Å; R939-L942 PolarHBondContact O-N 2.9Å; R939-L942 VanDerWaalsContact O-N 3.07Å; K940-L942 PolarHBondContact O-N 2.72Å; L942-L1046 HydrophobicContact CD2-CG 4.11Å; L942-L1046 VanDerWaalsContact CD2-O 3.23Å; L942-L1046 WeakPolarHBondContact CD2-O 3.38Å; L942-F1049 WeakPolarHBondContact CD1-O 3.25Å; L942-P1051 HydrophobicContact CD1-CB 4.39Å; L942-P1051 HydrophobicContact CD1-CG 3.96Å; L942-L1054 HydrophobicContact CD1-CD2 4.37Å; L942-L1054 HydrophobicContact CD2-CD2 4.09Å; L942-L1054 HydrophobicContact CG-CD2 4.02Å
943G89.9Confident93.2Very high68 Ų6835.7 Ų35.770%0.70121%0.207SC*.THydrogen-bonded Turntrans83.214.2-178.500000114.6R939 K940 L941R939-G943 PolarHBondContact O-N 2.81Å; K940-G943 WeakPolarHBondContact O-CA 3.37Å; K940-G943 PolarHBondContact O-N 3.14Å; L941-G943 VanDerWaalsContact C-N 3.35Å
944E90.6Very high93.4Very high71 Ų7135.6 Ų35.633%0.33221%0.206SC..PPolyproline II helixtrans-90.2152.4175.4-63.1178.8-163.800111.9R939 P1051R939-E944 CarbonylContact C-O 3.55Å; R939-E944 HydrophobicContact CB-CB 4.02Å; R939-E944 HydrophobicContact CG-CB 4.45Å; R939-E944 IonicContact CZ-OE2 3.48Å; R939-E944 IonicContact NH1-OE2 3.32Å; R939-E944 PolarHBondContact NH1-OE2 3.34Å; R939-E944 WeakPolarHBondContact O-CB 3.31Å; R939-E944 PolarHBondContact O-N 3.02Å; E944-P1051 WeakPolarHBondContact OE2-CG 3.31Å
945T91.4Very high93.5Very high131 Ų13137 Ų3780%0.80421%0.214SC*.PPolyproline II helixtrans-92.7121.8176.352.60000110.9
946P94.4Very high93.6Very high20 Ų2037.3 Ų37.313%0.1322%0.217CC..PPolyproline II helixtrans-61.5146.4173.2-2435.7000112.6A936 R939 K940 D950 V1018 F1022A936-P946 HydrophobicContact CB-CB 3.97Å; A936-P946 HydrophobicContact CB-CG 3.92Å; R939-P946 HydrophobicContact CB-CG 4.45Å; K940-P946 HydrophobicContact CD-CG 4.18Å; K940-P946 HydrophobicContact CG-CG 3.68Å; P946-D950 VanDerWaalsContact CA-OD2 3.3Å; P946-D950 WeakPolarHBondContact CA-OD2 3.18Å; P946-D950 HydrophobicContact CB-CB 4.08Å; P946-V1018 WeakPolarHBondContact O-CG1 3.48Å; P946-F1022 HydrophobicContact CB-CB 4.08Å; P946-F1022 HydrophobicContact CB-CD1 4.35Å; P946-F1022 HydrophobicContact CB-CD2 3.58Å; P946-F1022 HydrophobicContact CB-CE2 3.99Å; P946-F1022 HydrophobicContact CB-CG 3.77Å; P946-F1022 HydrophobicContact CG-CB 4.02Å; P946-F1022 HydrophobicContact CG-CD2 4.4Å; P946-F1022 HydrophobicContact CG-CG 4.1Å
947G91.8Very high93.6Very high30 Ų3041.6 Ų41.631%0.30924%0.239SC..  trans-115.3-168.7179.800000113.6D949 D950 L951G947-D949 VanDerWaalsContact C-N 3.31Å; G947-D949 PolarHBondContact O-N 3.29Å; G947-D950 PolarHBondContact N-OD2 2.88Å; G947-D950 PolarHBondContact O-N 3.2Å; G947-L951 PolarHBondContact O-N 2.91Å
948L93.7Very high93.6Very high25 Ų2543.1 Ų43.113%0.13125%0.249CC..Hα-helixtrans-63-34.9179.6178.261.4000112.7D950 L951 K952 L962 Q963 L966 V1014 V1018L948-D950 VanDerWaalsContact C-N 3.31Å; L948-D950 PolarHBondContact O-N 3.39Å; L948-L951 HydrophobicContact CD1-CD2 4.47Å; L948-L951 CarbonylContact O-C 3.58Å; L948-L951 WeakPolarHBondContact O-CA 3.38Å; L948-L951 WeakPolarHBondContact O-CB 3.33Å; L948-L951 PolarHBondContact O-N 2.88Å; L948-L951 VanDerWaalsContact O-N 3.12Å; L948-K952 WeakPolarHBondContact O-CG 3.39Å; L948-K952 PolarHBondContact O-N 2.88Å; L948-L962 HydrophobicContact CD1-CB 3.79Å; L948-L962 HydrophobicContact CD1-CD1 4.15Å; L948-Q963 HydrophobicContact CD2-CB 4.21Å; L948-L966 HydrophobicContact CD2-CD1 3.73Å; L948-V1014 HydrophobicContact CD1-CG1 4.11Å; L948-V1014 HydrophobicContact CD2-CG1 4.16Å; L948-V1014 HydrophobicContact CG-CG1 4.49Å; L948-V1018 HydrophobicContact CB-CG2 4.48Å; L948-V1018 HydrophobicContact CD1-CG2 4.47Å
949D92.1Very high93.7Very high114 Ų11442.9 Ų42.961%0.6125%0.248SC*.Hα-helixtrans-67.4-32.9178.3-67.4-35.1000112.3G947 L951 K952 E953G947-D949 VanDerWaalsContact C-N 3.31Å; G947-D949 PolarHBondContact O-N 3.29Å; D949-L951 VanDerWaalsContact C-N 3.29Å; D949-L951 PolarHBondContact O-N 3.16Å; D949-K952 WeakPolarHBondContact O-CB 3.1Å; D949-K952 PolarHBondContact O-N 3.21Å; D949-K952 IonicContact OD1-NZ 3.19Å; D949-K952 PolarHBondContact OD1-NZ 2.98Å; D949-E953 PolarHBondContact O-N 2.87Å; D949-E953 VanDerWaalsContact O-N 3.1Å
950D94.4Very high93.8Very high11 Ų1146.6 Ų46.66%0.05926%0.262CS..Hα-helixtrans-68.9-32.1172.6-52.4-72.6000110.9A936 R939 P946 G947 L948 E953 L954 F1022A936-D950 HydrophobicContact CB-CB 4.04Å; R939-D950 WeakPolarHBondContact CD-OD1 3.36Å; R939-D950 IonicContact CZ-OD1 3.55Å; R939-D950 IonicContact NE-OD1 3.61Å; R939-D950 PolarHBondContact NE-OD1 2.95Å; R939-D950 IonicContact NE-OD2 2.86Å; R939-D950 PolarHBondContact NE-OD2 2.91Å; P946-D950 VanDerWaalsContact CA-OD2 3.3Å; P946-D950 WeakPolarHBondContact CA-OD2 3.18Å; P946-D950 HydrophobicContact CB-CB 4.08Å; G947-D950 PolarHBondContact N-OD2 2.88Å; G947-D950 PolarHBondContact O-N 3.2Å; L948-D950 VanDerWaalsContact C-N 3.31Å; L948-D950 PolarHBondContact O-N 3.39Å; D950-E953 WeakPolarHBondContact O-CB 3.4Å; D950-E953 PolarHBondContact O-N 3.36Å; D950-L954 PolarHBondContact O-N 3.43Å; D950-F1022 HydrophobicContact CB-CE2 4.12Å; D950-F1022 HydrophobicContact CB-CZ 4.06Å
951L95.7Very high93.8Very high3 Ų349 Ų492%0.01628%0.279CS..Hα-helixtrans-70.5-34.6171.7-174.857.7000112G947 L948 D949 E953 L954 D955 V958 L962 Y1017 V1018 V1021 F1022G947-L951 PolarHBondContact O-N 2.91Å; L948-L951 HydrophobicContact CD1-CD2 4.47Å; L948-L951 CarbonylContact O-C 3.58Å; L948-L951 WeakPolarHBondContact O-CA 3.38Å; L948-L951 WeakPolarHBondContact O-CB 3.33Å; L948-L951 PolarHBondContact O-N 2.88Å; L948-L951 VanDerWaalsContact O-N 3.12Å; D949-L951 VanDerWaalsContact C-N 3.29Å; D949-L951 PolarHBondContact O-N 3.16Å; L951-E953 VanDerWaalsContact C-N 3.25Å; L951-E953 PolarHBondContact O-N 3.42Å; L951-L954 PolarHBondContact O-N 3.16Å; L951-D955 HydrophobicContact CD1-CB 4.18Å; L951-D955 CarbonylContact O-C 3.54Å; L951-D955 VanDerWaalsContact O-C 3.27Å; L951-D955 WeakPolarHBondContact O-CA 3.46Å; L951-D955 PolarHBondContact O-N 3.38Å; L951-D955 VanDerWaalsContact O-O 3.06Å; L951-V958 HydrophobicContact CD2-CG1 4.18Å; L951-L962 HydrophobicContact CD2-CD1 3.62Å; L951-Y1017 HydrophobicContact CD2-CD1 3.97Å; L951-Y1017 HydrophobicContact CD2-CE1 4.14Å; L951-V1018 HydrophobicContact CD2-CG2 4.04Å; L951-V1021 HydrophobicContact CD1-CG1 4.08Å; L951-V1021 HydrophobicContact CD1-CG2 4.48Å; L951-F1022 HydrophobicContact CB-CE2 3.87Å; L951-F1022 HydrophobicContact CB-CZ 4.24Å; L951-F1022 HydrophobicContact CD1-CE2 4.48Å; L951-F1022 HydrophobicContact CD1-CZ 4.43Å
952K95.2Very high94Very high56 Ų5648.9 Ų48.924%0.24328%0.279CS..Hα-helixtrans-64.6-31.4172.5-69.1172.2-169.7156.20112.1L948 D949 P956L948-K952 WeakPolarHBondContact O-CG 3.39Å; L948-K952 PolarHBondContact O-N 2.88Å; D949-K952 WeakPolarHBondContact O-CB 3.1Å; D949-K952 PolarHBondContact O-N 3.21Å; D949-K952 IonicContact OD1-NZ 3.19Å; D949-K952 PolarHBondContact OD1-NZ 2.98Å; K952-P956 VanDerWaalsContact O-CA 3.28Å; K952-P956 WeakPolarHBondContact O-CA 3.49Å; K952-P956 WeakPolarHBondContact O-CG 3.47Å
953E94.5Very high94.1Very high57 Ų5749.4 Ų49.427%0.26628%0.28SS..Hα-helixtrans-70.6-48.8173.3-169.7-166.7-171.800110.9S896 M898 L935 D949 D950 L951S896-E953 WeakPolarHBondContact CB-O 3.22Å; M898-E953 HydrophobicContact CE-CG 3.64Å; M898-E953 WeakPolarHBondContact CE-OE1 3.32Å; M898-E953 HydrophobicContact SD-CG 3.81Å; L935-E953 WeakPolarHBondContact CB-OE2 3.48Å; L935-E953 PolarHBondContact N-OE2 3.4Å; D949-E953 PolarHBondContact O-N 2.87Å; D949-E953 VanDerWaalsContact O-N 3.1Å; D950-E953 WeakPolarHBondContact O-CB 3.4Å; D950-E953 PolarHBondContact O-N 3.36Å; L951-E953 VanDerWaalsContact C-N 3.25Å; L951-E953 PolarHBondContact O-N 3.42Å
954L95.5Very high94.4Very high0 Ų052 Ų520%028%0.275CS..Hα-helixtrans-69.9-51-178.6177.461000113Y893 S896 M898 W900 P934 D950 L951 V1021 F1022Y893-L954 WeakPolarHBondContact CB-O 3.34Å; Y893-L954 HydrophobicContact CD1-CD1 4.4Å; Y893-L954 HydrophobicContact CD1-CG 4.24Å; Y893-L954 HydrophobicContact CD2-CD1 3.52Å; Y893-L954 HydrophobicContact CD2-CG 4.12Å; Y893-L954 HydrophobicContact CE1-CD2 4.47Å; Y893-L954 HydrophobicContact CE1-CG 4.17Å; Y893-L954 HydrophobicContact CE2-CD1 3.79Å; Y893-L954 HydrophobicContact CE2-CD2 4.15Å; Y893-L954 HydrophobicContact CE2-CG 4.08Å; Y893-L954 HydrophobicContact CG-CD1 3.86Å; Y893-L954 HydrophobicContact CG-CG 4.2Å; S896-L954 VanDerWaalsContact CB-O 3.31Å; S896-L954 WeakPolarHBondContact CB-O 3.38Å; S896-L954 PolarHBondContact OG-O 3.33Å; M898-L954 HydrophobicContact CB-CD1 4.01Å; W900-L954 HydrophobicContact CB-CD1 4Å; W900-L954 HydrophobicContact CB-CD2 4.08Å; W900-L954 HydrophobicContact CD2-CD2 4.25Å; W900-L954 HydrophobicContact CG-CD2 3.92Å; P934-L954 HydrophobicContact CB-CB 4.42Å; P934-L954 HydrophobicContact CG-CD1 4.19Å; D950-L954 PolarHBondContact O-N 3.43Å; L951-L954 PolarHBondContact O-N 3.16Å; L954-V1021 HydrophobicContact CD2-CG1 4.13Å; L954-F1022 HydrophobicContact CB-CZ 4.34Å; L954-F1022 HydrophobicContact CD2-CE1 3.65Å; L954-F1022 HydrophobicContact CD2-CZ 4.05Å
955D95Very high94.6Very high30 Ų3048.8 Ų48.816%0.1626%0.259CS..  trans-130.986.5-179.7-168-30.5000110.1Y893 L951 I957 V958 G959Y893-D955 HydrophobicContact CD1-CB 3.78Å; Y893-D955 HydrophobicContact CE1-CB 3.9Å; L951-D955 HydrophobicContact CD1-CB 4.18Å; L951-D955 CarbonylContact O-C 3.54Å; L951-D955 VanDerWaalsContact O-C 3.27Å; L951-D955 WeakPolarHBondContact O-CA 3.46Å; L951-D955 PolarHBondContact O-N 3.38Å; L951-D955 VanDerWaalsContact O-O 3.06Å; D955-I957 PolarHBondContact O-N 3.19Å; D955-I957 VanDerWaalsContact O-N 3.1Å; D955-I957 PolarHBondContact OD1-N 2.94Å; D955-V958 HydrophobicContact CB-CB 4.2Å; D955-V958 PolarHBondContact O-N 2.92Å; D955-V958 PolarHBondContact OD1-N 2.48Å; D955-V958 VanDerWaalsContact OD1-N 3.07Å; D955-V958 VanDerWaalsContact OD2-CG2 3.28Å; D955-V958 WeakPolarHBondContact OD2-CG2 3.46Å; D955-G959 PolarHBondContact O-N 2.91Å
956P95.8Very high94.7Very high33 Ų3344.6 Ų44.621%0.21423%0.232CC..Hα-helixtrans-59.5-22.1-178.4-24.431.9000114.9E895 K952 R960E895-P956 HydrophobicContact CB-CG 4.3Å; K952-P956 VanDerWaalsContact O-CA 3.28Å; K952-P956 WeakPolarHBondContact O-CA 3.49Å; K952-P956 WeakPolarHBondContact O-CG 3.47Å; P956-R960 WeakPolarHBondContact O-CB 3.01Å; P956-R960 VanDerWaalsContact O-CG 3.25Å; P956-R960 WeakPolarHBondContact O-CG 3.23Å; P956-R960 PolarHBondContact O-N 2.9Å; P956-R960 PolarHBondContact O-NE 3.05Å
957I95.1Very high94.7Very high90 Ų9048.5 Ų48.546%0.46225%0.252SS..Hα-helixtrans-78-55179.4-64.1173.7000108.8E895 D955 R960 S961E895-I957 HydrophobicContact CG-CD1 3.65Å; E895-I957 HydrophobicContact CG-CG1 4.08Å; D955-I957 PolarHBondContact O-N 3.19Å; D955-I957 VanDerWaalsContact O-N 3.1Å; D955-I957 PolarHBondContact OD1-N 2.94Å; I957-R960 PolarHBondContact O-N 2.91Å; I957-S961 PolarHBondContact O-N 3.33Å
958V94.1Very high94.8Very high33 Ų3349.5 Ų49.520%0.225%0.246CC..Hα-helixtrans-64.6-44.8-179.9176.20000110.7L951 D955 R960 S961 L962 Y1017L951-V958 HydrophobicContact CD2-CG1 4.18Å; D955-V958 HydrophobicContact CB-CB 4.2Å; D955-V958 PolarHBondContact O-N 2.92Å; D955-V958 PolarHBondContact OD1-N 2.48Å; D955-V958 VanDerWaalsContact OD1-N 3.07Å; D955-V958 VanDerWaalsContact OD2-CG2 3.28Å; D955-V958 WeakPolarHBondContact OD2-CG2 3.46Å; V958-R960 VanDerWaalsContact C-N 3.32Å; V958-R960 PolarHBondContact O-N 3.2Å; V958-S961 PolarHBondContact O-N 3.1Å; V958-L962 HydrophobicContact CG1-CD1 3.98Å; V958-L962 HydrophobicContact CG1-CG 4.31Å; V958-L962 WeakPolarHBondContact O-CG 3.43Å; V958-L962 PolarHBondContact O-N 3.48Å; V958-Y1017 HydrophobicContact CG1-CD1 4.42Å; V958-Y1017 HydrophobicContact CG1-CE1 3.55Å
959G95.1Very high94.8Very high0 Ų054.6 Ų54.60%027%0.274CS..Hα-helixtrans-61.1-36.7179.600000113.5D955 Q963D955-G959 PolarHBondContact O-N 2.91Å; G959-Q963 PolarHBondContact O-N 3.39Å; G959-Q963 VanDerWaalsContact O-N 3.15Å
960R95.4Very high94.8Very high146 Ų14653.5 Ų53.555%0.55127%0.268SS*.Hα-helixtrans-70.6-43.4173.3-78.8-175-69.8171.6-2.3112P956 I957 V958 L962 Q963 E964P956-R960 WeakPolarHBondContact O-CB 3.01Å; P956-R960 VanDerWaalsContact O-CG 3.25Å; P956-R960 WeakPolarHBondContact O-CG 3.23Å; P956-R960 PolarHBondContact O-N 2.9Å; P956-R960 PolarHBondContact O-NE 3.05Å; I957-R960 PolarHBondContact O-N 2.91Å; V958-R960 VanDerWaalsContact C-N 3.32Å; V958-R960 PolarHBondContact O-N 3.2Å; R960-L962 VanDerWaalsContact C-N 3.32Å; R960-L962 PolarHBondContact O-N 2.78Å; R960-Q963 WeakPolarHBondContact O-CB 3.31Å; R960-Q963 PolarHBondContact O-N 2.74Å; R960-Q963 VanDerWaalsContact O-N 3.12Å; R960-E964 WeakPolarHBondContact O-CG 3.41Å; R960-E964 PolarHBondContact O-N 2.91Å
961S95.2Very high94.5Very high60 Ų6058 Ų5842%0.4231%0.306SS..Hα-helixtrans-61-40178.1-179.20000112.5I957 V958 E964 L965I957-S961 PolarHBondContact O-N 3.33Å; V958-S961 PolarHBondContact O-N 3.1Å; S961-E964 PolarHBondContact O-N 2.83Å; S961-L965 PolarHBondContact O-N 3.24Å
962L96.5Very high94.4Very high8 Ų861.2 Ų61.24%0.04232%0.323CS..Hα-helixtrans-69.7-33.5174.6-66.3175.2000112.5L948 L951 V958 R960 L965 L966 Y1013 V1014 Y1017L948-L962 HydrophobicContact CD1-CB 3.79Å; L948-L962 HydrophobicContact CD1-CD1 4.15Å; L951-L962 HydrophobicContact CD2-CD1 3.62Å; V958-L962 HydrophobicContact CG1-CD1 3.98Å; V958-L962 HydrophobicContact CG1-CG 4.31Å; V958-L962 WeakPolarHBondContact O-CG 3.43Å; V958-L962 PolarHBondContact O-N 3.48Å; R960-L962 VanDerWaalsContact C-N 3.32Å; R960-L962 PolarHBondContact O-N 2.78Å; L962-L965 WeakPolarHBondContact O-CB 3.29Å; L962-L965 PolarHBondContact O-N 3.1Å; L962-L966 WeakPolarHBondContact O-CG 3.22Å; L962-L966 PolarHBondContact O-N 3.15Å; L962-L966 VanDerWaalsContact O-N 3.13Å; L962-Y1013 HydrophobicContact CD2-CD1 4.22Å; L962-Y1013 HydrophobicContact CD2-CE1 3.71Å; L962-V1014 HydrophobicContact CB-CG1 4.31Å; L962-V1014 HydrophobicContact CB-CG2 4.15Å; L962-V1014 HydrophobicContact CD2-CG2 4.19Å; L962-Y1017 HydrophobicContact CD1-CD1 3.71Å; L962-Y1017 HydrophobicContact CD1-CE1 4.21Å; L962-Y1017 HydrophobicContact CD1-CG 3.93Å; L962-Y1017 HydrophobicContact CD2-CG 4.49Å
963Q95.5Very high94.2Very high51 Ų5158.6 Ų58.624%0.23831%0.312CS..Hα-helixtrans-66.4-43.8172.1-174.465.462.900111.3L948 G959 R960 L965 L966 D967L948-Q963 HydrophobicContact CD2-CB 4.21Å; G959-Q963 PolarHBondContact O-N 3.39Å; G959-Q963 VanDerWaalsContact O-N 3.15Å; R960-Q963 WeakPolarHBondContact O-CB 3.31Å; R960-Q963 PolarHBondContact O-N 2.74Å; R960-Q963 VanDerWaalsContact O-N 3.12Å; Q963-L965 VanDerWaalsContact C-N 3.25Å; Q963-L965 PolarHBondContact O-N 2.97Å; Q963-L966 WeakPolarHBondContact O-CB 3.48Å; Q963-L966 PolarHBondContact O-N 2.87Å; Q963-D967 PolarHBondContact NE2-OD1 2.68Å; Q963-D967 PolarHBondContact NE2-OD2 3.19Å; Q963-D967 WeakPolarHBondContact O-CB 3.48Å; Q963-D967 PolarHBondContact O-N 2.81Å
964E94.9Very high94Very high124 Ų12457.4 Ų57.458%0.57931%0.312SS*.Hα-helixtrans-59.6-37.2175.1-73.5173.6-176.400111.6R960 S961 D967 Y968R960-E964 WeakPolarHBondContact O-CG 3.41Å; R960-E964 PolarHBondContact O-N 2.91Å; S961-E964 PolarHBondContact O-N 2.83Å; E964-D967 PolarHBondContact O-N 2.86Å; E964-Y968 WeakPolarHBondContact O-CB 3.48Å; E964-Y968 PolarHBondContact O-N 3.2Å
965L95.7Very high93.9Very high2 Ų263.6 Ų63.61%0.0135%0.345CS..Hα-helixtrans-61.8-44.2172.3178.668.8000112.1S961 L962 Q963 Y968 L973 F977 L979 V1005 K1010 Y1013 V1014S961-L965 PolarHBondContact O-N 3.24Å; L962-L965 WeakPolarHBondContact O-CB 3.29Å; L962-L965 PolarHBondContact O-N 3.1Å; Q963-L965 VanDerWaalsContact C-N 3.25Å; Q963-L965 PolarHBondContact O-N 2.97Å; L965-Y968 PolarHBondContact O-N 3.24Å; L965-L973 HydrophobicContact CD1-CD1 4.07Å; L965-L973 HydrophobicContact CD1-CD2 4.01Å; L965-L973 HydrophobicContact CD1-CG 4.12Å; L965-F977 HydrophobicContact CB-CE1 4.12Å; L965-F977 HydrophobicContact CB-CZ 4.4Å; L965-F977 HydrophobicContact CD1-CB 4.36Å; L965-F977 HydrophobicContact CD1-CD1 3.8Å; L965-F977 HydrophobicContact CD1-CD2 3.83Å; L965-F977 HydrophobicContact CD1-CE1 3.95Å; L965-F977 HydrophobicContact CD1-CE2 3.99Å; L965-F977 HydrophobicContact CD1-CG 3.73Å; L965-F977 HydrophobicContact CD1-CZ 4.04Å; L965-L979 HydrophobicContact CD2-CD1 4.21Å; L965-V1005 HydrophobicContact CD2-CG1 4.38Å; L965-K1010 HydrophobicContact CG-CB 4.41Å; L965-Y1013 HydrophobicContact CD2-CD1 3.6Å; L965-Y1013 HydrophobicContact CD2-CE1 4.02Å; L965-V1014 HydrophobicContact CD2-CG2 4.2Å
966L94Very high93.7Very high43 Ų4365.7 Ų65.723%0.22536%0.359CS..Hα-helixtrans-64.4-41.4176.7-68.2176.8000111.8L948 L962 Q963 Y968 K1010 V1014L948-L966 HydrophobicContact CD2-CD1 3.73Å; L962-L966 WeakPolarHBondContact O-CG 3.22Å; L962-L966 PolarHBondContact O-N 3.15Å; L962-L966 VanDerWaalsContact O-N 3.13Å; Q963-L966 WeakPolarHBondContact O-CB 3.48Å; Q963-L966 PolarHBondContact O-N 2.87Å; L966-Y968 PolarHBondContact O-N 3.39Å; L966-K1010 HydrophobicContact CD2-CG 4.48Å; L966-K1010 WeakPolarHBondContact O-CE 3.19Å; L966-K1010 PolarHBondContact O-NZ 2.89Å; L966-V1014 HydrophobicContact CD1-CG1 4.24Å; L966-V1014 HydrophobicContact CD1-CG2 4.37Å; L966-V1014 HydrophobicContact CD2-CB 4.27Å; L966-V1014 HydrophobicContact CD2-CG2 3.8Å; L966-V1014 HydrophobicContact CG-CG2 3.91Å
967D93.8Very high93.6Very high102 Ų10266.5 Ų66.555%0.54536%0.359SS..Hα-helixtrans-77.1-8.4-177.3-61.7-13.3000112.7Q963 E964 D969Q963-D967 PolarHBondContact NE2-OD1 2.68Å; Q963-D967 PolarHBondContact NE2-OD2 3.19Å; Q963-D967 WeakPolarHBondContact O-CB 3.48Å; Q963-D967 PolarHBondContact O-N 2.81Å; E964-D967 PolarHBondContact O-N 2.86Å; D967-D969 PolarHBondContact O-N 3.02Å
968Y94.6Very high93.4Very high52 Ų5267.1 Ų67.120%0.20437%0.371CS..  trans-81.3112.9-179.4-164.2-93.5000112.7E964 L965 L966 N970 D972 L973 F977 Q1007 K1010E964-Y968 WeakPolarHBondContact O-CB 3.48Å; E964-Y968 PolarHBondContact O-N 3.2Å; L965-Y968 PolarHBondContact O-N 3.24Å; L966-Y968 PolarHBondContact O-N 3.39Å; Y968-N970 HydrophobicContact CD1-CB 4.32Å; Y968-N970 HydrophobicContact CE1-CB 3.53Å; Y968-N970 VanDerWaalsContact CZ-ND2 3.32Å; Y968-N970 PolarHBondContact OH-ND2 2.77Å; Y968-D972 PolarHBondContact OH-OD1 2.87Å; Y968-L973 HydrophobicContact CD1-CB 4Å; Y968-L973 HydrophobicContact CD1-CD1 4.25Å; Y968-L973 HydrophobicContact CD1-CG 4.22Å; Y968-L973 HydrophobicContact CE1-CB 4.24Å; Y968-F977 AromaticContact CD1-CE2 3.81Å; Y968-F977 HydrophobicContact CD1-CE2 3.81Å; Y968-F977 AromaticContact CD2-CE2 3.9Å; Y968-F977 HydrophobicContact CD2-CE2 3.9Å; Y968-F977 HydrophobicContact CD2-CZ 4.16Å; Y968-F977 HydrophobicContact CE1-CE2 4.28Å; Y968-F977 HydrophobicContact CE2-CE2 4.38Å; Y968-F977 AromaticContact CG-CE2 3.59Å; Y968-F977 HydrophobicContact CG-CE2 3.59Å; Y968-F977 HydrophobicContact CG-CZ 4.07Å; Y968-Q1007 PolarHBondContact O-NE2 3.08Å; Y968-Q1007 PolarHBondContact O-OE1 3.36Å; Y968-K1010 PolarHBondContact O-NZ 3.42Å
969D92.1Very high93.5Very high131 Ų13168.1 Ų68.170%0.70138%0.375SS*.  trans-103.9-2.3-173.4-69.6-30.1000115.1D967 K1010D967-D969 PolarHBondContact O-N 3.02Å; D969-K1010 IonicContact OD1-NZ 3.13Å
970N92Very high93.5Very high92 Ų9270.6 Ų70.649%0.49239%0.388SS..SBendtrans-77150-178.5-53.4-38.5000112.3Y968 D972 L973 Q1007Y968-N970 HydrophobicContact CD1-CB 4.32Å; Y968-N970 HydrophobicContact CE1-CB 3.53Å; Y968-N970 VanDerWaalsContact CZ-ND2 3.32Å; Y968-N970 PolarHBondContact OH-ND2 2.77Å; N970-D972 WeakPolarHBondContact CB-OD1 3.34Å; N970-D972 PolarHBondContact O-N 3.36Å; N970-L973 PolarHBondContact O-N 3.01Å; N970-Q1007 PolarHBondContact O-NE2 2.79Å
971A88.8Confident93.6Very high104 Ų10463.7 Ų63.786%0.8636%0.362SS*.THydrogen-bonded Turntrans-68.1-18.1-173.500000114.7L973A971-L973 VanDerWaalsContact C-N 3.32Å; A971-L973 PolarHBondContact O-N 3.12Å
972D92.6Very high93.6Very high71 Ų7161.7 Ų61.738%0.3835%0.347SS..THydrogen-bonded Turntrans-88.515.8-178.259.6-26.6000113.9Y968 N970 A974 D975 V976Y968-D972 PolarHBondContact OH-OD1 2.87Å; N970-D972 WeakPolarHBondContact CB-OD1 3.34Å; N970-D972 PolarHBondContact O-N 3.36Å; D972-A974 VanDerWaalsContact C-N 3.25Å; D972-A974 PolarHBondContact O-N 3.2Å; D972-A974 VanDerWaalsContact O-N 3.12Å; D972-D975 PolarHBondContact O-N 2.8Å; D972-V976 HydrophobicContact CB-CG2 4.27Å; D972-V976 WeakPolarHBondContact O-CG2 3.47Å; D972-V976 PolarHBondContact O-N 2.91Å; D972-V976 WeakPolarHBondContact OD2-CG2 3.33Å
973L93Very high93.4Very high1 Ų161.7 Ų61.71%0.00535%0.347CS..Hα-helixtrans-46.9-44.9-179.1-176.7155.8000113.3L965 Y968 N970 A971 D975 V976 F977 V1005 Q1007 K1010L965-L973 HydrophobicContact CD1-CD1 4.07Å; L965-L973 HydrophobicContact CD1-CD2 4.01Å; L965-L973 HydrophobicContact CD1-CG 4.12Å; Y968-L973 HydrophobicContact CD1-CB 4Å; Y968-L973 HydrophobicContact CD1-CD1 4.25Å; Y968-L973 HydrophobicContact CD1-CG 4.22Å; Y968-L973 HydrophobicContact CE1-CB 4.24Å; N970-L973 PolarHBondContact O-N 3.01Å; A971-L973 VanDerWaalsContact C-N 3.32Å; A971-L973 PolarHBondContact O-N 3.12Å; L973-D975 VanDerWaalsContact C-N 3.34Å; L973-D975 PolarHBondContact O-N 2.91Å; L973-V976 PolarHBondContact O-N 2.98Å; L973-F977 HydrophobicContact CD2-CD2 4.45Å; L973-F977 HydrophobicContact CG-CD2 3.92Å; L973-F977 HydrophobicContact CG-CE2 4.25Å; L973-F977 WeakPolarHBondContact O-CD2 3.35Å; L973-F977 PolarHBondContact O-N 2.8Å; L973-V1005 HydrophobicContact CD2-CG1 4.15Å; L973-Q1007 HydrophobicContact CB-CG 4.14Å; L973-Q1007 HydrophobicContact CD1-CG 4.2Å; L973-K1010 HydrophobicContact CD1-CB 4.37Å; L973-K1010 HydrophobicContact CD1-CD 3.71Å
974A90.4Very high93.1Very high32 Ų3263.1 Ų63.126%0.26436%0.36SS..Hα-helixtrans-63.1-39-178.200000112.7D972 C978 I1004D972-A974 VanDerWaalsContact C-N 3.25Å; D972-A974 PolarHBondContact O-N 3.2Å; D972-A974 VanDerWaalsContact O-N 3.12Å; A974-C978 WeakPolarHBondContact O-CA 3.25Å; A974-C978 PolarHBondContact O-N 3.42Å; A974-I1004 HydrophobicContact CB-CG2 4.05Å
975D91.4Very high92.6Very high131 Ų13157.9 Ų57.970%0.70134%0.335SS*.Hα-helixtrans-78.3-32.1179.9-62.6-42.3000111.9D972 L973 C978D972-D975 PolarHBondContact O-N 2.8Å; L973-D975 VanDerWaalsContact C-N 3.34Å; L973-D975 PolarHBondContact O-N 2.91Å; D975-C978 PolarHBondContact O-SG 3.25Å
976V91.6Very high91.6Very high74 Ų7463 Ų6345%0.44836%0.363SS..Hα-helixtrans-74.4-47.2-178.7171.50000111.5D972 L973D972-V976 HydrophobicContact CB-CG2 4.27Å; D972-V976 WeakPolarHBondContact O-CG2 3.47Å; D972-V976 PolarHBondContact O-N 2.91Å; D972-V976 WeakPolarHBondContact OD2-CG2 3.33Å; L973-V976 PolarHBondContact O-N 2.98Å
977F93.2Very high90.6Very high49 Ų4964.5 Ų64.522%0.21537%0.366CS..Hα-helixtrans-90.5-27.3-175.8-70.9-93.2000112.9L965 Y968 L973 L979L965-F977 HydrophobicContact CB-CE1 4.12Å; L965-F977 HydrophobicContact CB-CZ 4.4Å; L965-F977 HydrophobicContact CD1-CB 4.36Å; L965-F977 HydrophobicContact CD1-CD1 3.8Å; L965-F977 HydrophobicContact CD1-CD2 3.83Å; L965-F977 HydrophobicContact CD1-CE1 3.95Å; L965-F977 HydrophobicContact CD1-CE2 3.99Å; L965-F977 HydrophobicContact CD1-CG 3.73Å; L965-F977 HydrophobicContact CD1-CZ 4.04Å; Y968-F977 AromaticContact CD1-CE2 3.81Å; Y968-F977 HydrophobicContact CD1-CE2 3.81Å; Y968-F977 AromaticContact CD2-CE2 3.9Å; Y968-F977 HydrophobicContact CD2-CE2 3.9Å; Y968-F977 HydrophobicContact CD2-CZ 4.16Å; Y968-F977 HydrophobicContact CE1-CE2 4.28Å; Y968-F977 HydrophobicContact CE2-CE2 4.38Å; Y968-F977 AromaticContact CG-CE2 3.59Å; Y968-F977 HydrophobicContact CG-CE2 3.59Å; Y968-F977 HydrophobicContact CG-CZ 4.07Å; L973-F977 HydrophobicContact CD2-CD2 4.45Å; L973-F977 HydrophobicContact CG-CD2 3.92Å; L973-F977 HydrophobicContact CG-CE2 4.25Å; L973-F977 WeakPolarHBondContact O-CD2 3.35Å; L973-F977 PolarHBondContact O-N 2.8Å; F977-L979 HydrophobicContact CB-CD1 4.07Å; F977-L979 HydrophobicContact CB-CG 4.02Å; F977-L979 HydrophobicContact CD1-CD1 4.48Å; F977-L979 PolarHBondContact O-N 3.17Å
978C92.5Very high89.6Confident104 Ų10466.5 Ų66.570%0.70337%0.37SS*.  trans50.440.5-179.1-70.70000113.8A974 D975A974-C978 WeakPolarHBondContact O-CA 3.25Å; A974-C978 PolarHBondContact O-N 3.42Å; D975-C978 PolarHBondContact O-SG 3.25Å
979L95.2Very high88.5Confident54 Ų5467.1 Ų67.128%0.28339%0.393SS..  trans-98.8145.5-178.3-62.1174.2000111.9L965 F977 V1005 Y1013L965-L979 HydrophobicContact CD2-CD1 4.21Å; F977-L979 HydrophobicContact CB-CD1 4.07Å; F977-L979 HydrophobicContact CB-CG 4.02Å; F977-L979 HydrophobicContact CD1-CD1 4.48Å; F977-L979 PolarHBondContact O-N 3.17Å; L979-V1005 HydrophobicContact CB-CB 4.05Å; L979-V1005 HydrophobicContact CB-CG2 3.7Å; L979-V1005 PolarHBondContact O-N 2.83Å; L979-Y1013 HydrophobicContact CD1-CE1 3.93Å
980N95.6Very high88Confident52 Ų5266.8 Ų66.828%0.27839%0.388SS..BIsolated β-bridgetrans-118.2175162.363.14000109.7T982 E1001 I1003 Y1013N980-T982 PolarHBondContact O-N 3.18Å; N980-T982 PolarHBondContact OD1-OG1 3.13Å; N980-E1001 PolarHBondContact ND2-O 2.75Å; N980-I1003 CarbonylContact C-O 3.27Å; N980-I1003 WeakPolarHBondContact CA-O 3.22Å; N980-I1003 VanDerWaalsContact CB-O 3.3Å; N980-I1003 WeakPolarHBondContact CB-O 3.4Å; N980-Y1013 WeakPolarHBondContact O-CE2 2.94Å
981F97.2Very high87.6Confident1 Ų168.5 Ų68.50%0.00440%0.397CS..SBendtrans-7753.1-179.7-81.1-110.4000112.5L996 M997 G1000 I1003 V1005 N1009 L1012 Y1013F981-L996 WeakPolarHBondContact O-CB 3.47Å; F981-L996 PolarHBondContact O-N 3.4Å; F981-M997 HydrophobicContact CB-CG 4.05Å; F981-M997 HydrophobicContact CB-SD 4.36Å; F981-M997 HydrophobicContact CD1-CG 3.93Å; F981-M997 HydrophobicContact CD1-SD 3.34Å; F981-M997 WeakPolarHBondContact CD1-SD 3.5Å; F981-M997 HydrophobicContact CE1-SD 3.69Å; F981-M997 HydrophobicContact CG-CG 4.26Å; F981-M997 HydrophobicContact CG-SD 3.93Å; F981-G1000 CarbonylContact C-O 3.59Å; F981-G1000 WeakPolarHBondContact CA-O 3.3Å; F981-G1000 WeakPolarHBondContact CB-O 3.11Å; F981-G1000 PolarHBondContact N-O 3.17Å; F981-I1003 HydrophobicContact CB-CB 4.47Å; F981-I1003 HydrophobicContact CD2-CB 3.95Å; F981-I1003 HydrophobicContact CD2-CG2 3.52Å; F981-I1003 WeakPolarHBondContact CD2-O 3.38Å; F981-I1003 HydrophobicContact CE2-CG2 3.72Å; F981-I1003 HydrophobicContact CG-CB 4.44Å; F981-I1003 HydrophobicContact CG-CG2 4.3Å; F981-I1003 PolarHBondContact N-O 3.07Å; F981-I1003 VanDerWaalsContact N-O 3.12Å; F981-V1005 HydrophobicContact CD2-CG2 4.02Å; F981-V1005 HydrophobicContact CE2-CG2 3.91Å; F981-N1009 HydrophobicContact CE2-CB 4.45Å; F981-N1009 HydrophobicContact CZ-CB 4.13Å; F981-L1012 HydrophobicContact CE1-CB 4.45Å; F981-L1012 HydrophobicContact CE1-CD2 4.33Å; F981-L1012 HydrophobicContact CE1-CG 4.07Å; F981-L1012 HydrophobicContact CZ-CB 4.47Å; F981-L1012 HydrophobicContact CZ-CG 4.46Å; F981-Y1013 HydrophobicContact CD1-CD2 4.14Å; F981-Y1013 HydrophobicContact CD2-CD2 4.23Å; F981-Y1013 VanDerWaalsContact CE1-CA 3.46Å; F981-Y1013 HydrophobicContact CE1-CD2 4.36Å; F981-Y1013 HydrophobicContact CE2-CD2 4.43Å; F981-Y1013 HydrophobicContact CG-CD2 4.1Å; F981-Y1013 HydrophobicContact CZ-CD2 4.5Å
982T96Very high87.5Confident17 Ų1768.6 Ų68.610%0.10438%0.378CS..EExtended strand (participates in β ladder)trans-128.2157.9174.973.10000111.8N980 I993 I994 E1001N980-T982 PolarHBondContact O-N 3.18Å; N980-T982 PolarHBondContact OD1-OG1 3.13Å; T982-I993 HydrophobicContact CG2-CG2 3.97Å; T982-I994 CarbonylContact C-O 3.31Å; T982-I994 VanDerWaalsContact CA-O 3.28Å; T982-I994 WeakPolarHBondContact CA-O 3.46Å; T982-E1001 HydrophobicContact CG2-CB 3.97Å
983V92.1Very high87.5Confident8 Ų870.4 Ų70.45%0.04839%0.387CS..EExtended strand (participates in β ladder)trans-125.7133.8170.862.70000109.3I985 I994 L996 Y1017 Y1020V983-I985 HydrophobicContact CG2-CG2 4.4Å; V983-I994 HydrophobicContact CG1-CB 3.97Å; V983-I994 HydrophobicContact CG1-CG2 4.44Å; V983-I994 PolarHBondContact N-O 2.88Å; V983-I994 PolarHBondContact O-N 3.41Å; V983-L996 HydrophobicContact CB-CD2 4.02Å; V983-L996 HydrophobicContact CG1-CD2 3.74Å; V983-Y1017 HydrophobicContact CB-CE2 4.3Å; V983-Y1017 HydrophobicContact CG2-CE2 3.8Å; V983-Y1020 HydrophobicContact CG1-CD1 3.75Å; V983-Y1020 HydrophobicContact CG1-CD2 4.38Å; V983-Y1020 HydrophobicContact CG1-CE1 3.6Å; V983-Y1020 HydrophobicContact CG1-CE2 4.25Å; V983-Y1020 HydrophobicContact CG1-CG 4.14Å; V983-Y1020 HydrophobicContact CG2-CD1 4.5Å; V983-Y1020 HydrophobicContact CG2-CE1 4.36Å
984T88.6Confident87.4Confident82 Ų8271.9 Ų71.950%0.50339%0.394SS..EExtended strand (participates in β ladder)trans-95.4119.8175-56.80000108.7N991T984-N991 HydrophobicContact CG2-CB 3.81Å
985I83.9Confident87.7Confident13 Ų1373.8 Ų73.87%0.06740%0.404CS..EExtended strand (participates in β ladder)trans-110.4144.3174.563.1164.1000110.5E903 V983 Y987 N991 K992 I994 Y1020E903-I985 HydrophobicContact CB-CD1 4.48Å; V983-I985 HydrophobicContact CG2-CG2 4.4Å; I985-Y987 PolarHBondContact O-N 3.38Å; I985-N991 WeakPolarHBondContact O-CA 3.44Å; I985-K992 HydrophobicContact CD1-CD 4.46Å; I985-K992 HydrophobicContact CG1-CB 3.96Å; I985-K992 WeakPolarHBondContact CG1-O 3.4Å; I985-K992 PolarHBondContact N-O 3.43Å; I985-K992 PolarHBondContact O-N 3.41Å; I985-I994 HydrophobicContact CD1-CD1 3.38Å; I985-I994 HydrophobicContact CD1-CG1 4.49Å; I985-I994 HydrophobicContact CG1-CD1 3.81Å; I985-Y1020 HydrophobicContact CG2-CE1 4.23Å
986D75.6Confident87.8Confident109 Ų10967.6 Ų67.658%0.58337%0.371SS*.EExtended strand (participates in β ladder)trans-78.8115.5168.5-176.3-0.1000108.9G989D986-G989 WeakPolarHBondContact OD1-CA 3.4Å; D986-G989 PolarHBondContact OD1-N 2.71Å
987Y72.9Confident87.9Confident75 Ų7567 Ų6729%0.29436%0.364SS..EExtended strand (participates in β ladder)trans-118.798.2-178.5-175.7-93.9000109.4I985 G989 M990I985-Y987 PolarHBondContact O-N 3.38Å; Y987-G989 PolarHBondContact O-N 2.86Å; Y987-M990 WeakPolarHBondContact CA-O 3.35Å; Y987-M990 WeakPolarHBondContact CB-O 3.27Å; Y987-M990 HydrophobicContact CD1-CE 4.18Å; Y987-M990 PolarHBondContact N-O 3.44Å; Y987-M990 WeakPolarHBondContact O-CB 3.49Å; Y987-M990 PolarHBondContact O-N 2.83Å
988F71.3Confident87.9Confident144 Ų14473.3 Ų73.363%0.63239%0.394SS*.THydrogen-bonded Turntrans5139-176.4-62.2-80.8000113.5M906 M990M906-F988 HydrophobicContact CE-CE2 4.37Å; M906-F988 HydrophobicContact CE-CZ 4.06Å; F988-M990 VanDerWaalsContact C-N 3.32Å
989G72.9Confident87.8Confident66 Ų6673 Ų7368%0.6839%0.386SS*.THydrogen-bonded Turntrans83.43.1-176.900000114.5D986 Y987D986-G989 WeakPolarHBondContact OD1-CA 3.4Å; D986-G989 PolarHBondContact OD1-N 2.71Å; Y987-G989 PolarHBondContact O-N 2.86Å
990M80.5Confident87.7Confident123 Ų12370.4 Ų70.461%0.60637%0.372SS*.EExtended strand (participates in β ladder)trans-109.4130.5173.5-60.7-173-6500110.6Y987 F988 K992Y987-M990 WeakPolarHBondContact CA-O 3.35Å; Y987-M990 WeakPolarHBondContact CB-O 3.27Å; Y987-M990 HydrophobicContact CD1-CE 4.18Å; Y987-M990 PolarHBondContact N-O 3.44Å; Y987-M990 WeakPolarHBondContact O-CB 3.49Å; Y987-M990 PolarHBondContact O-N 2.83Å; F988-M990 VanDerWaalsContact C-N 3.32Å; M990-K992 PolarHBondContact O-N 2.85Å
991N83.8Confident87.6Confident128 Ų12874 Ų7468%0.68439%0.387SS*.EExtended strand (participates in β ladder)trans-72.6114173.6-69.9-13.6000110.3T984 I985T984-N991 HydrophobicContact CG2-CB 3.81Å; I985-N991 WeakPolarHBondContact O-CA 3.44Å
992K87.9Confident87.4Confident106 Ų10679 Ų7946%0.46141%0.414SS..EExtended strand (participates in β ladder)trans-103.4124.4173.4-176.1-179.8177.9-175.50109.3I985 M990 I994I985-K992 HydrophobicContact CD1-CD 4.46Å; I985-K992 HydrophobicContact CG1-CB 3.96Å; I985-K992 WeakPolarHBondContact CG1-O 3.4Å; I985-K992 PolarHBondContact N-O 3.43Å; I985-K992 PolarHBondContact O-N 3.41Å; M990-K992 PolarHBondContact O-N 2.85Å; K992-I994 HydrophobicContact CD-CG1 4.49Å; K992-I994 HydrophobicContact CG-CG1 4.29Å
993I90.9Very high87.4Confident109 Ų10980.5 Ų80.556%0.55942%0.421SS*.EExtended strand (participates in β ladder)trans-89126.4175.5-57.9174000108.2T982T982-I993 HydrophobicContact CG2-CG2 3.97Å
994I92Very high87.5Confident32 Ų3285 Ų8516%0.16444%0.443CS..EExtended strand (participates in β ladder)trans-118.6124.9178.7-64.8171.5000108.8T982 V983 I985 K992 Y1020T982-I994 CarbonylContact C-O 3.31Å; T982-I994 VanDerWaalsContact CA-O 3.28Å; T982-I994 WeakPolarHBondContact CA-O 3.46Å; V983-I994 HydrophobicContact CG1-CB 3.97Å; V983-I994 HydrophobicContact CG1-CG2 4.44Å; V983-I994 PolarHBondContact N-O 2.88Å; V983-I994 PolarHBondContact O-N 3.41Å; I985-I994 HydrophobicContact CD1-CD1 3.38Å; I985-I994 HydrophobicContact CD1-CG1 4.49Å; I985-I994 HydrophobicContact CG1-CD1 3.81Å; K992-I994 HydrophobicContact CD-CG1 4.49Å; K992-I994 HydrophobicContact CG-CG1 4.29Å; I994-Y1020 HydrophobicContact CD1-CE2 4.17Å; I994-Y1020 WeakPolarHBondContact CD1-OH 3.28Å; I994-Y1020 HydrophobicContact CG2-CD2 4.43Å; I994-Y1020 HydrophobicContact CG2-CE2 3.86Å
995P95.4Very high87.9Confident73 Ų7381.1 Ų81.147%0.47442%0.42SS..EExtended strand (participates in β ladder)trans-70.9130.217330.1-33.6000110.2M997P995-M997 VanDerWaalsContact C-N 3.3Å
996L95.5Very high88.3Confident1 Ų182.9 Ų82.91%0.00543%0.431CS..SBendtrans-73.1-26.7179.5-65.5175.4000112F981 V983 Y1013 K1016 Y1017 Y1020 K1024F981-L996 WeakPolarHBondContact O-CB 3.47Å; F981-L996 PolarHBondContact O-N 3.4Å; V983-L996 HydrophobicContact CB-CD2 4.02Å; V983-L996 HydrophobicContact CG1-CD2 3.74Å; L996-Y1013 HydrophobicContact CD1-CD2 4.07Å; L996-Y1013 HydrophobicContact CD1-CE2 3.71Å; L996-K1016 HydrophobicContact CB-CB 4.11Å; L996-Y1017 HydrophobicContact CD1-CD2 4.31Å; L996-Y1020 HydrophobicContact CD2-CD1 4.42Å; L996-Y1020 HydrophobicContact CD2-CD2 4.38Å; L996-Y1020 HydrophobicContact CD2-CG 3.86Å; L996-K1024 PolarHBondContact O-NZ 2.83Å
997M93.5Very high89.1Confident61 Ų6180.5 Ų80.530%0.342%0.417SS..SBendtrans-145.4172.317764.2-174.6-67.800111.2F981 P995 D999 G1000 I1003F981-M997 HydrophobicContact CB-CG 4.05Å; F981-M997 HydrophobicContact CB-SD 4.36Å; F981-M997 HydrophobicContact CD1-CG 3.93Å; F981-M997 HydrophobicContact CD1-SD 3.34Å; F981-M997 WeakPolarHBondContact CD1-SD 3.5Å; F981-M997 HydrophobicContact CE1-SD 3.69Å; F981-M997 HydrophobicContact CG-CG 4.26Å; F981-M997 HydrophobicContact CG-SD 3.93Å; P995-M997 VanDerWaalsContact C-N 3.3Å; M997-D999 PolarHBondContact O-N 2.78Å; M997-G1000 PolarHBondContact O-N 2.82Å; M997-I1003 HydrophobicContact CE-CD1 4.01Å; M997-I1003 HydrophobicContact CG-CD1 4.2Å; M997-I1003 HydrophobicContact SD-CD1 4.01Å
998E91.8Very high90.1Very high181 Ų18186.2 Ų86.285%0.84645%0.446SS*.THydrogen-bonded Turntrans-53.2130.5175.2-66.8-178.2-178.400110.4G1000E998-G1000 PolarHBondContact O-N 2.98Å; E998-G1000 VanDerWaalsContact O-N 3.14Å
999D91.1Very high91.2Very high98 Ų9880.8 Ų80.852%0.52442%0.424SS..THydrogen-bonded Turntrans5822.1-178.2-155.632.3000115M997 E1001 N1002M997-D999 PolarHBondContact O-N 2.78Å; D999-E1001 PolarHBondContact O-N 2.69Å; D999-N1002 PolarHBondContact O-N 3.04Å; D999-N1002 PolarHBondContact OD1-ND2 2.9Å
1000G92.7Very high92.3Very high0 Ų078.6 Ų78.60%040%0.395CS..THydrogen-bonded Turntrans-58.7-22.8-173.400000115.5F981 M997 E998 N1002 I1003F981-G1000 CarbonylContact C-O 3.59Å; F981-G1000 WeakPolarHBondContact CA-O 3.3Å; F981-G1000 WeakPolarHBondContact CB-O 3.11Å; F981-G1000 PolarHBondContact N-O 3.17Å; M997-G1000 PolarHBondContact O-N 2.82Å; E998-G1000 PolarHBondContact O-N 2.98Å; E998-G1000 VanDerWaalsContact O-N 3.14Å; G1000-N1002 VanDerWaalsContact C-N 3.27Å; G1000-N1002 PolarHBondContact O-N 3.21Å; G1000-I1003 PolarHBondContact O-N 2.8Å
1001E93.2Very high93Very high126 Ų12676.3 Ų76.359%0.58939%0.392SS*.THydrogen-bonded Turntrans-65.7-28.7174.462.5-178.5-175.800113.5N980 T982 D999N980-E1001 PolarHBondContact ND2-O 2.75Å; T982-E1001 HydrophobicContact CG2-CB 3.97Å; D999-E1001 PolarHBondContact O-N 2.69Å
1002N93.7Very high93.6Very high106 Ų10673.3 Ų73.357%0.56738%0.375SS*.THydrogen-bonded Turntrans-98.4-4.7-178.2-65.1-48000113.1D999 G1000D999-N1002 PolarHBondContact O-N 3.04Å; D999-N1002 PolarHBondContact OD1-ND2 2.9Å; G1000-N1002 VanDerWaalsContact C-N 3.27Å; G1000-N1002 PolarHBondContact O-N 3.21Å
1003I95.5Very high94Very high49 Ų4968.9 Ų68.925%0.25136%0.356SS..  trans-97.2111179.1-56.9171.1000109.1N980 F981 M997 G1000N980-I1003 CarbonylContact C-O 3.27Å; N980-I1003 WeakPolarHBondContact CA-O 3.22Å; N980-I1003 VanDerWaalsContact CB-O 3.3Å; N980-I1003 WeakPolarHBondContact CB-O 3.4Å; F981-I1003 HydrophobicContact CB-CB 4.47Å; F981-I1003 HydrophobicContact CD2-CB 3.95Å; F981-I1003 HydrophobicContact CD2-CG2 3.52Å; F981-I1003 WeakPolarHBondContact CD2-O 3.38Å; F981-I1003 HydrophobicContact CE2-CG2 3.72Å; F981-I1003 HydrophobicContact CG-CB 4.44Å; F981-I1003 HydrophobicContact CG-CG2 4.3Å; F981-I1003 PolarHBondContact N-O 3.07Å; F981-I1003 VanDerWaalsContact N-O 3.12Å; M997-I1003 HydrophobicContact CE-CD1 4.01Å; M997-I1003 HydrophobicContact CG-CD1 4.2Å; M997-I1003 HydrophobicContact SD-CD1 4.01Å; G1000-I1003 PolarHBondContact O-N 2.8Å
1004I95.4Very high94.3Very high102 Ų10264.1 Ų64.152%0.52333%0.332SS..BIsolated β-bridgetrans-78.1141.9176.4-56.8174.4000109.9A974 T1006 N1009A974-I1004 HydrophobicContact CB-CG2 4.05Å; I1004-T1006 PolarHBondContact O-N 2.82Å; I1004-N1009 PolarHBondContact O-ND2 3.24Å
1005V95.8Very high94.5Very high1 Ų168 Ų681%0.00635%0.349CS..  trans-76.3122.2173.4-175.30000109.6L965 L973 L979 F981 N1009 K1010 Y1013L965-V1005 HydrophobicContact CD2-CG1 4.38Å; L973-V1005 HydrophobicContact CD2-CG1 4.15Å; L979-V1005 HydrophobicContact CB-CB 4.05Å; L979-V1005 HydrophobicContact CB-CG2 3.7Å; L979-V1005 PolarHBondContact O-N 2.83Å; F981-V1005 HydrophobicContact CD2-CG2 4.02Å; F981-V1005 HydrophobicContact CE2-CG2 3.91Å; V1005-N1009 VanDerWaalsContact CA-OD1 3.32Å; V1005-N1009 WeakPolarHBondContact CA-OD1 3.41Å; V1005-K1010 HydrophobicContact CG1-CB 4.24Å; V1005-Y1013 HydrophobicContact CG1-CG 4.32Å; V1005-Y1013 HydrophobicContact CG2-CD1 4.31Å; V1005-Y1013 HydrophobicContact CG2-CD2 3.51Å; V1005-Y1013 HydrophobicContact CG2-CE2 4.04Å; V1005-Y1013 HydrophobicContact CG2-CG 3.67Å
1006T93.5Very high94.6Very high50 Ų5066.6 Ų66.631%0.30734%0.336SS..  trans-123.1172.6-178.670.20000110.3I1004 E1008 N1009 K1010I1004-T1006 PolarHBondContact O-N 2.82Å; T1006-E1008 PolarHBondContact O-N 3.32Å; T1006-E1008 PolarHBondContact OG1-N 3.05Å; T1006-N1009 PolarHBondContact N-OD1 2.76Å; T1006-N1009 PolarHBondContact O-N 3.3Å; T1006-N1009 PolarHBondContact O-OD1 3.35Å; T1006-K1010 WeakPolarHBondContact O-CB 3.29Å; T1006-K1010 PolarHBondContact O-N 3Å
1007Q92.2Very high94.7Very high60 Ų6068.4 Ų68.428%0.2834%0.343SS..THydrogen-bonded Turntrans-57.5-32.1175.1-78.3-673.200113.5Y968 N970 L973 K1010Y968-Q1007 PolarHBondContact O-NE2 3.08Å; Y968-Q1007 PolarHBondContact O-OE1 3.36Å; N970-Q1007 PolarHBondContact O-NE2 2.79Å; L973-Q1007 HydrophobicContact CB-CG 4.14Å; L973-Q1007 HydrophobicContact CD1-CG 4.2Å; Q1007-K1010 VanDerWaalsContact OE1-CE 3.26Å
1008E93.2Very high94.8Very high194 Ų19466 Ų6691%0.90733%0.331SS*.THydrogen-bonded Turntrans-76.8-30.6-177.6-63.3-178.7176.200112.7T1006T1006-E1008 PolarHBondContact O-N 3.32Å; T1006-E1008 PolarHBondContact OG1-N 3.05Å
1009N95Very high95Very high31 Ų3160.3 Ų60.317%0.16631%0.305CS..THydrogen-bonded Turntrans-111.9-0.9-173.473.416.6000114.2F981 I1004 V1005 T1006 S1011 L1012 Y1013F981-N1009 HydrophobicContact CE2-CB 4.45Å; F981-N1009 HydrophobicContact CZ-CB 4.13Å; I1004-N1009 PolarHBondContact O-ND2 3.24Å; V1005-N1009 VanDerWaalsContact CA-OD1 3.32Å; V1005-N1009 WeakPolarHBondContact CA-OD1 3.41Å; T1006-N1009 PolarHBondContact N-OD1 2.76Å; T1006-N1009 PolarHBondContact O-N 3.3Å; T1006-N1009 PolarHBondContact O-OD1 3.35Å; N1009-S1011 VanDerWaalsContact C-N 3.27Å; N1009-S1011 PolarHBondContact O-N 3.15Å; N1009-L1012 WeakPolarHBondContact O-CA 3.36Å; N1009-L1012 WeakPolarHBondContact O-CB 3.45Å; N1009-L1012 PolarHBondContact O-N 3.04Å; N1009-Y1013 PolarHBondContact O-N 2.82Å
1010K95.4Very high95.2Very high19 Ų1956.3 Ų56.38%0.08328%0.282CS..Hα-helixtrans-52.7-40.4-178.668.8-178.6-177.8177.10113.8L965 L966 Y968 D969 L973 V1005 T1006 Q1007 L1012 Y1013 V1014L965-K1010 HydrophobicContact CG-CB 4.41Å; L966-K1010 HydrophobicContact CD2-CG 4.48Å; L966-K1010 WeakPolarHBondContact O-CE 3.19Å; L966-K1010 PolarHBondContact O-NZ 2.89Å; Y968-K1010 PolarHBondContact O-NZ 3.42Å; D969-K1010 IonicContact OD1-NZ 3.13Å; L973-K1010 HydrophobicContact CD1-CB 4.37Å; L973-K1010 HydrophobicContact CD1-CD 3.71Å; V1005-K1010 HydrophobicContact CG1-CB 4.24Å; T1006-K1010 WeakPolarHBondContact O-CB 3.29Å; T1006-K1010 PolarHBondContact O-N 3Å; Q1007-K1010 VanDerWaalsContact OE1-CE 3.26Å; K1010-L1012 VanDerWaalsContact C-N 3.33Å; K1010-L1012 PolarHBondContact O-N 2.77Å; K1010-Y1013 WeakPolarHBondContact O-CB 3.47Å; K1010-Y1013 PolarHBondContact O-N 2.92Å; K1010-V1014 WeakPolarHBondContact O-CG2 3.27Å; K1010-V1014 PolarHBondContact O-N 2.94Å; K1010-V1014 VanDerWaalsContact O-N 3.11Å
1011S95.3Very high95.3Very high76 Ų7657 Ų5753%0.53129%0.286SS..Hα-helixtrans-65.2-38.5177.4-56.90000112N1009 V1014 E1015N1009-S1011 VanDerWaalsContact C-N 3.27Å; N1009-S1011 PolarHBondContact O-N 3.15Å; S1011-V1014 PolarHBondContact O-N 2.83Å; S1011-E1015 WeakPolarHBondContact O-CB 3.42Å; S1011-E1015 PolarHBondContact O-N 2.94Å
1012L96.7Very high95.4Very high65 Ų6551.1 Ų51.134%0.3426%0.259SS..Hα-helixtrans-68.1-37.5176-177.965.2000111.3F981 N1009 K1010 E1015 K1016F981-L1012 HydrophobicContact CE1-CB 4.45Å; F981-L1012 HydrophobicContact CE1-CD2 4.33Å; F981-L1012 HydrophobicContact CE1-CG 4.07Å; F981-L1012 HydrophobicContact CZ-CB 4.47Å; F981-L1012 HydrophobicContact CZ-CG 4.46Å; N1009-L1012 WeakPolarHBondContact O-CA 3.36Å; N1009-L1012 WeakPolarHBondContact O-CB 3.45Å; N1009-L1012 PolarHBondContact O-N 3.04Å; K1010-L1012 VanDerWaalsContact C-N 3.33Å; K1010-L1012 PolarHBondContact O-N 2.77Å; L1012-E1015 PolarHBondContact O-N 3.06Å; L1012-K1016 HydrophobicContact CD1-CG 4.21Å; L1012-K1016 HydrophobicContact CG-CG 4.35Å; L1012-K1016 WeakPolarHBondContact O-CB 3.39Å; L1012-K1016 VanDerWaalsContact O-CG 3.22Å; L1012-K1016 WeakPolarHBondContact O-CG 3.35Å; L1012-K1016 PolarHBondContact O-N 3.47Å
1013Y97.3Very high95.3Very high13 Ų1349.8 Ų49.85%0.05125%0.249CC..Hα-helixtrans-59.2-48.7174.1175.4-100.9000111.3L962 L965 L979 N980 F981 L996 V1005 N1009 K1010 K1016 Y1017L962-Y1013 HydrophobicContact CD2-CD1 4.22Å; L962-Y1013 HydrophobicContact CD2-CE1 3.71Å; L965-Y1013 HydrophobicContact CD2-CD1 3.6Å; L965-Y1013 HydrophobicContact CD2-CE1 4.02Å; L979-Y1013 HydrophobicContact CD1-CE1 3.93Å; N980-Y1013 WeakPolarHBondContact O-CE2 2.94Å; F981-Y1013 HydrophobicContact CD1-CD2 4.14Å; F981-Y1013 HydrophobicContact CD2-CD2 4.23Å; F981-Y1013 VanDerWaalsContact CE1-CA 3.46Å; F981-Y1013 HydrophobicContact CE1-CD2 4.36Å; F981-Y1013 HydrophobicContact CE2-CD2 4.43Å; F981-Y1013 HydrophobicContact CG-CD2 4.1Å; F981-Y1013 HydrophobicContact CZ-CD2 4.5Å; L996-Y1013 HydrophobicContact CD1-CD2 4.07Å; L996-Y1013 HydrophobicContact CD1-CE2 3.71Å; V1005-Y1013 HydrophobicContact CG1-CG 4.32Å; V1005-Y1013 HydrophobicContact CG2-CD1 4.31Å; V1005-Y1013 HydrophobicContact CG2-CD2 3.51Å; V1005-Y1013 HydrophobicContact CG2-CE2 4.04Å; V1005-Y1013 HydrophobicContact CG2-CG 3.67Å; N1009-Y1013 PolarHBondContact O-N 2.82Å; K1010-Y1013 WeakPolarHBondContact O-CB 3.47Å; K1010-Y1013 PolarHBondContact O-N 2.92Å; Y1013-K1016 PolarHBondContact O-N 2.9Å; Y1013-Y1017 HydrophobicContact CE1-CD2 4.46Å; Y1013-Y1017 WeakPolarHBondContact O-CB 3.35Å; Y1013-Y1017 PolarHBondContact O-N 3.13Å
1014V96.8Very high95.2Very high8 Ų851.9 Ų51.95%0.04826%0.257CS..Hα-helixtrans-62.3-45.2177.9176.60000111.3L948 L962 L965 L966 K1010 S1011 K1016 Y1017 V1018L948-V1014 HydrophobicContact CD1-CG1 4.11Å; L948-V1014 HydrophobicContact CD2-CG1 4.16Å; L948-V1014 HydrophobicContact CG-CG1 4.49Å; L962-V1014 HydrophobicContact CB-CG1 4.31Å; L962-V1014 HydrophobicContact CB-CG2 4.15Å; L962-V1014 HydrophobicContact CD2-CG2 4.19Å; L965-V1014 HydrophobicContact CD2-CG2 4.2Å; L966-V1014 HydrophobicContact CD1-CG1 4.24Å; L966-V1014 HydrophobicContact CD1-CG2 4.37Å; L966-V1014 HydrophobicContact CD2-CB 4.27Å; L966-V1014 HydrophobicContact CD2-CG2 3.8Å; L966-V1014 HydrophobicContact CG-CG2 3.91Å; K1010-V1014 WeakPolarHBondContact O-CG2 3.27Å; K1010-V1014 PolarHBondContact O-N 2.94Å; K1010-V1014 VanDerWaalsContact O-N 3.11Å; S1011-V1014 PolarHBondContact O-N 2.83Å; V1014-K1016 VanDerWaalsContact C-N 3.34Å; V1014-K1016 PolarHBondContact O-N 3.25Å; V1014-Y1017 PolarHBondContact O-N 2.81Å; V1014-V1018 HydrophobicContact CG1-CG2 4.37Å; V1014-V1018 VanDerWaalsContact O-CG2 3.31Å; V1014-V1018 WeakPolarHBondContact O-CG2 3.16Å; V1014-V1018 PolarHBondContact O-N 2.97Å
1015E96Very high95Very high113 Ų11347.8 Ų47.853%0.52824%0.237SC..Hα-helixtrans-56-48.4175.4-174.9-170.3148.400111.5S1011 L1012 Y1017 V1018 E1019S1011-E1015 WeakPolarHBondContact O-CB 3.42Å; S1011-E1015 PolarHBondContact O-N 2.94Å; L1012-E1015 PolarHBondContact O-N 3.06Å; E1015-Y1017 VanDerWaalsContact C-N 3.35Å; E1015-Y1017 PolarHBondContact O-N 2.89Å; E1015-V1018 PolarHBondContact O-N 2.95Å; E1015-E1019 VanDerWaalsContact O-CB 3.32Å; E1015-E1019 WeakPolarHBondContact O-CB 3.26Å; E1015-E1019 PolarHBondContact O-N 2.78Å
1016K96.7Very high94.9Very high45 Ų4547.8 Ų47.820%0.19624%0.237CC..Hα-helixtrans-68.4-32.6-179.5-67.9-71157.7-153.20112.9L996 L1012 Y1013 V1014 E1019 Y1020L996-K1016 HydrophobicContact CB-CB 4.11Å; L1012-K1016 HydrophobicContact CD1-CG 4.21Å; L1012-K1016 HydrophobicContact CG-CG 4.35Å; L1012-K1016 WeakPolarHBondContact O-CB 3.39Å; L1012-K1016 VanDerWaalsContact O-CG 3.22Å; L1012-K1016 WeakPolarHBondContact O-CG 3.35Å; L1012-K1016 PolarHBondContact O-N 3.47Å; Y1013-K1016 PolarHBondContact O-N 2.9Å; V1014-K1016 VanDerWaalsContact C-N 3.34Å; V1014-K1016 PolarHBondContact O-N 3.25Å; K1016-E1019 WeakPolarHBondContact CD-OE2 3.36Å; K1016-E1019 IonicContact NZ-OE2 2.91Å; K1016-E1019 PolarHBondContact NZ-OE2 2.9Å; K1016-Y1020 WeakPolarHBondContact O-CB 3.29Å; K1016-Y1020 PolarHBondContact O-N 3.05Å
1017Y97.1Very high94.8Very high39 Ų3949.2 Ų49.215%0.15324%0.24CC..Hα-helixtrans-66-48.9174-164.4-71.2000110.9L951 V958 L962 V983 L996 Y1013 V1014 E1015 Y1020 V1021L951-Y1017 HydrophobicContact CD2-CD1 3.97Å; L951-Y1017 HydrophobicContact CD2-CE1 4.14Å; V958-Y1017 HydrophobicContact CG1-CD1 4.42Å; V958-Y1017 HydrophobicContact CG1-CE1 3.55Å; L962-Y1017 HydrophobicContact CD1-CD1 3.71Å; L962-Y1017 HydrophobicContact CD1-CE1 4.21Å; L962-Y1017 HydrophobicContact CD1-CG 3.93Å; L962-Y1017 HydrophobicContact CD2-CG 4.49Å; V983-Y1017 HydrophobicContact CB-CE2 4.3Å; V983-Y1017 HydrophobicContact CG2-CE2 3.8Å; L996-Y1017 HydrophobicContact CD1-CD2 4.31Å; Y1013-Y1017 HydrophobicContact CE1-CD2 4.46Å; Y1013-Y1017 WeakPolarHBondContact O-CB 3.35Å; Y1013-Y1017 PolarHBondContact O-N 3.13Å; V1014-Y1017 PolarHBondContact O-N 2.81Å; E1015-Y1017 VanDerWaalsContact C-N 3.35Å; E1015-Y1017 PolarHBondContact O-N 2.89Å; Y1017-Y1020 WeakPolarHBondContact O-CB 3.19Å; Y1017-Y1020 PolarHBondContact O-N 2.96Å; Y1017-V1021 HydrophobicContact CD1-CG2 3.94Å; Y1017-V1021 HydrophobicContact CE1-CG2 3.7Å; Y1017-V1021 WeakPolarHBondContact O-CG2 3.33Å; Y1017-V1021 PolarHBondContact O-N 2.83Å
1018V96.3Very high94.8Very high10 Ų1050 Ų506%0.06125%0.249CC..Hα-helixtrans-62.2-43.7177.1174.30000110.7P946 L948 L951 V1014 E1015 Y1020 V1021 F1022P946-V1018 WeakPolarHBondContact O-CG1 3.48Å; L948-V1018 HydrophobicContact CB-CG2 4.48Å; L948-V1018 HydrophobicContact CD1-CG2 4.47Å; L951-V1018 HydrophobicContact CD2-CG2 4.04Å; V1014-V1018 HydrophobicContact CG1-CG2 4.37Å; V1014-V1018 VanDerWaalsContact O-CG2 3.31Å; V1014-V1018 WeakPolarHBondContact O-CG2 3.16Å; V1014-V1018 PolarHBondContact O-N 2.97Å; E1015-V1018 PolarHBondContact O-N 2.95Å; V1018-Y1020 VanDerWaalsContact C-N 3.31Å; V1018-Y1020 PolarHBondContact O-N 3.13Å; V1018-V1021 PolarHBondContact O-N 3.39Å; V1018-F1022 HydrophobicContact CG1-CD2 3.75Å; V1018-F1022 HydrophobicContact CG1-CE2 4.2Å; V1018-F1022 PolarHBondContact O-N 3.41Å
1019E95.5Very high94.8Very high61 Ų6141.6 Ų41.629%0.28521%0.211SC..Hα-helixtrans-58.5-42.3173.6-173.6-167.1153.300111.3E1015 K1016 Q1023 K1024E1015-E1019 VanDerWaalsContact O-CB 3.32Å; E1015-E1019 WeakPolarHBondContact O-CB 3.26Å; E1015-E1019 PolarHBondContact O-N 2.78Å; K1016-E1019 WeakPolarHBondContact CD-OE2 3.36Å; K1016-E1019 IonicContact NZ-OE2 2.91Å; K1016-E1019 PolarHBondContact NZ-OE2 2.9Å; E1019-Q1023 HydrophobicContact CG-CB 4.25Å; E1019-Q1023 VanDerWaalsContact O-CA 3.31Å; E1019-Q1023 WeakPolarHBondContact O-CA 3.12Å; E1019-Q1023 WeakPolarHBondContact O-CB 3.43Å; E1019-Q1023 PolarHBondContact O-N 3.29Å; E1019-K1024 PolarHBondContact O-N 3.36Å; E1019-K1024 VanDerWaalsContact O-N 3.1Å; E1019-K1024 WeakPolarHBondContact OE1-CE 3.44Å
1020Y95.1Very high94.8Very high15 Ų1540.5 Ų40.56%0.05921%0.205CC..Iπ-helixtrans-61-51.4176.4172.6-96000111.7V983 I985 I994 L996 K1016 Y1017 V1018 F1022 K1024 S1025V983-Y1020 HydrophobicContact CG1-CD1 3.75Å; V983-Y1020 HydrophobicContact CG1-CD2 4.38Å; V983-Y1020 HydrophobicContact CG1-CE1 3.6Å; V983-Y1020 HydrophobicContact CG1-CE2 4.25Å; V983-Y1020 HydrophobicContact CG1-CG 4.14Å; V983-Y1020 HydrophobicContact CG2-CD1 4.5Å; V983-Y1020 HydrophobicContact CG2-CE1 4.36Å; I985-Y1020 HydrophobicContact CG2-CE1 4.23Å; I994-Y1020 HydrophobicContact CD1-CE2 4.17Å; I994-Y1020 WeakPolarHBondContact CD1-OH 3.28Å; I994-Y1020 HydrophobicContact CG2-CD2 4.43Å; I994-Y1020 HydrophobicContact CG2-CE2 3.86Å; L996-Y1020 HydrophobicContact CD2-CD1 4.42Å; L996-Y1020 HydrophobicContact CD2-CD2 4.38Å; L996-Y1020 HydrophobicContact CD2-CG 3.86Å; K1016-Y1020 WeakPolarHBondContact O-CB 3.29Å; K1016-Y1020 PolarHBondContact O-N 3.05Å; Y1017-Y1020 WeakPolarHBondContact O-CB 3.19Å; Y1017-Y1020 PolarHBondContact O-N 2.96Å; V1018-Y1020 VanDerWaalsContact C-N 3.31Å; V1018-Y1020 PolarHBondContact O-N 3.13Å; Y1020-F1022 PolarHBondContact O-N 3.29Å; Y1020-K1024 HydrophobicContact CD2-CB 4.02Å; Y1020-K1024 PolarHBondContact O-N 3.29Å; Y1020-S1025 VanDerWaalsContact O-CB 3.24Å; Y1020-S1025 WeakPolarHBondContact O-CB 2.99Å; Y1020-S1025 PolarHBondContact O-N 2.86Å; Y1020-S1025 PolarHBondContact O-OG 3.12Å; Y1020-S1025 VanDerWaalsContact O-OG 3.14Å
1021V94.8Very high94.8Very high13 Ų1344.7 Ų44.78%0.07922%0.223CC..Iπ-helixtrans-64.4-42-176.1174.90000112.8W900 L951 L954 Y1017 V1018 S1025W900-V1021 PolarHBondContact NE1-O 3.39Å; L951-V1021 HydrophobicContact CD1-CG1 4.08Å; L951-V1021 HydrophobicContact CD1-CG2 4.48Å; L954-V1021 HydrophobicContact CD2-CG1 4.13Å; Y1017-V1021 HydrophobicContact CD1-CG2 3.94Å; Y1017-V1021 HydrophobicContact CE1-CG2 3.7Å; Y1017-V1021 WeakPolarHBondContact O-CG2 3.33Å; Y1017-V1021 PolarHBondContact O-N 2.83Å; V1018-V1021 PolarHBondContact O-N 3.39Å; V1021-S1025 PolarHBondContact O-OG 3.28Å
1022F95.7Very high94.8Very high3 Ų341.4 Ų41.41%0.01320%0.201CC..Iπ-helixtrans-100.8-11.5-173.1-66.8-58.7000114.7W900 A936 K940 P946 D950 L951 L954 V1018 Y1020 C1026W900-F1022 HydrophobicContact CD2-CD1 4.48Å; W900-F1022 AromaticContact CE2-CD1 3.76Å; W900-F1022 AromaticContact CH2-CD1 3.87Å; W900-F1022 HydrophobicContact CH2-CD1 3.87Å; W900-F1022 HydrophobicContact CH2-CE1 4.36Å; W900-F1022 HydrophobicContact CZ2-CB 4.49Å; W900-F1022 AromaticContact CZ2-CD1 3.47Å; W900-F1022 HydrophobicContact CZ2-CD1 3.47Å; W900-F1022 VanDerWaalsContact CZ2-CD1 3.47Å; W900-F1022 HydrophobicContact CZ2-CE1 4.21Å; W900-F1022 HydrophobicContact CZ2-CG 4.45Å; A936-F1022 HydrophobicContact CB-CD1 3.68Å; A936-F1022 HydrophobicContact CB-CE1 3.32Å; A936-F1022 HydrophobicContact CB-CG 4.46Å; A936-F1022 HydrophobicContact CB-CZ 3.83Å; K940-F1022 VanDerWaalsContact CE-O 3.28Å; K940-F1022 WeakPolarHBondContact CE-O 3.16Å; K940-F1022 PolarHBondContact NZ-O 3.18Å; P946-F1022 HydrophobicContact CB-CB 4.08Å; P946-F1022 HydrophobicContact CB-CD1 4.35Å; P946-F1022 HydrophobicContact CB-CD2 3.58Å; P946-F1022 HydrophobicContact CB-CE2 3.99Å; P946-F1022 HydrophobicContact CB-CG 3.77Å; P946-F1022 HydrophobicContact CG-CB 4.02Å; P946-F1022 HydrophobicContact CG-CD2 4.4Å; P946-F1022 HydrophobicContact CG-CG 4.1Å; D950-F1022 HydrophobicContact CB-CE2 4.12Å; D950-F1022 HydrophobicContact CB-CZ 4.06Å; L951-F1022 HydrophobicContact CB-CE2 3.87Å; L951-F1022 HydrophobicContact CB-CZ 4.24Å; L951-F1022 HydrophobicContact CD1-CE2 4.48Å; L951-F1022 HydrophobicContact CD1-CZ 4.43Å; L954-F1022 HydrophobicContact CB-CZ 4.34Å; L954-F1022 HydrophobicContact CD2-CE1 3.65Å; L954-F1022 HydrophobicContact CD2-CZ 4.05Å; V1018-F1022 HydrophobicContact CG1-CD2 3.75Å; V1018-F1022 HydrophobicContact CG1-CE2 4.2Å; V1018-F1022 PolarHBondContact O-N 3.41Å; Y1020-F1022 PolarHBondContact O-N 3.29Å; F1022-C1026 PolarHBondContact O-SG 3.11Å; F1022-C1026 VanDerWaalsContact O-SG 3.37Å
1023Q92.8Very high94.7Very high79 Ų7938.5 Ų38.537%0.36919%0.185SC..Iπ-helixtrans-122.9-61.9-179.8-17066.719.700112.2E1019 E1027E1019-Q1023 HydrophobicContact CG-CB 4.25Å; E1019-Q1023 VanDerWaalsContact O-CA 3.31Å; E1019-Q1023 WeakPolarHBondContact O-CA 3.12Å; E1019-Q1023 WeakPolarHBondContact O-CB 3.43Å; E1019-Q1023 PolarHBondContact O-N 3.29Å; Q1023-E1027 WeakPolarHBondContact O-CA 3.22Å; Q1023-E1027 WeakPolarHBondContact O-CB 3.41Å; Q1023-E1027 PolarHBondContact O-N 3.3Å; Q1023-E1027 VanDerWaalsContact O-N 3.1Å
1024K92.5Very high94.6Very high93 Ų9340.5 Ų40.540%0.40420%0.195SC..Iπ-helixtrans-72.6-41.8-170.6-62.6-175.9177.2178.80113.2L996 E1019 Y1020 C1026L996-K1024 PolarHBondContact O-NZ 2.83Å; E1019-K1024 PolarHBondContact O-N 3.36Å; E1019-K1024 VanDerWaalsContact O-N 3.1Å; E1019-K1024 WeakPolarHBondContact OE1-CE 3.44Å; Y1020-K1024 HydrophobicContact CD2-CB 4.02Å; Y1020-K1024 PolarHBondContact O-N 3.29Å; K1024-C1026 PolarHBondContact O-N 3.2Å
1025S91.8Very high94.4Very high16 Ų1646 Ų4611%0.11222%0.219CC..THydrogen-bonded Turntrans-66.4-24-175.769.30000113.3Y1020 V1021Y1020-S1025 VanDerWaalsContact O-CB 3.24Å; Y1020-S1025 WeakPolarHBondContact O-CB 2.99Å; Y1020-S1025 PolarHBondContact O-N 2.86Å; Y1020-S1025 PolarHBondContact O-OG 3.12Å; Y1020-S1025 VanDerWaalsContact O-OG 3.14Å; V1021-S1025 PolarHBondContact O-OG 3.28Å
1026C92.6Very high94.3Very high0 Ų040.7 Ų40.70%019%0.193CC..THydrogen-bonded Turntrans-126.211.4-171.960.80000113.5F901 F1022 K1024 T1028 P1029 Y1030F901-C1026 HydrophobicContact CB-CB 3.55Å; F901-C1026 HydrophobicContact CD2-CB 3.81Å; F901-C1026 HydrophobicContact CG-CB 3.9Å; F1022-C1026 PolarHBondContact O-SG 3.11Å; F1022-C1026 VanDerWaalsContact O-SG 3.37Å; K1024-C1026 PolarHBondContact O-N 3.2Å; C1026-T1028 PolarHBondContact O-N 2.89Å; C1026-P1029 HydrophobicContact CB-CG 4.42Å; C1026-P1029 WeakPolarHBondContact O-CD 3.47Å; C1026-P1029 VanDerWaalsContact O-CG 3.32Å; C1026-P1029 WeakPolarHBondContact O-CG 3.26Å; C1026-Y1030 WeakPolarHBondContact O-CB 3.41Å; C1026-Y1030 PolarHBondContact O-N 2.86Å
1027E92.2Very high94.1Very high81 Ų8138.6 Ų38.638%0.37918%0.184SC..Hα-helixtrans-53.2-53.3-168.1-172.2177.5179.300113.2Q1023 K1031Q1023-E1027 WeakPolarHBondContact O-CA 3.22Å; Q1023-E1027 WeakPolarHBondContact O-CB 3.41Å; Q1023-E1027 PolarHBondContact O-N 3.3Å; Q1023-E1027 VanDerWaalsContact O-N 3.1Å; E1027-K1031 HydrophobicContact CG-CD 4.09Å; E1027-K1031 VanDerWaalsContact O-CB 3.31Å; E1027-K1031 WeakPolarHBondContact O-CB 3.45Å; E1027-K1031 VanDerWaalsContact O-CG 3.23Å; E1027-K1031 WeakPolarHBondContact O-CG 3.46Å; E1027-K1031 PolarHBondContact O-N 2.91Å; E1027-K1031 IonicContact OE1-NZ 2.68Å; E1027-K1031 PolarHBondContact OE1-NZ 3.38Å
1028T92.6Very high93.8Very high77 Ų7740 Ų4047%0.47219%0.194SC..Hα-helixtrans-65.5-55.4-179.4-51.30000112.9E909 C1026 Y1030 K1031 A1032E909-T1028 HydrophobicContact CG-CG2 3.83Å; E909-T1028 WeakPolarHBondContact OE1-CG2 3.45Å; C1026-T1028 PolarHBondContact O-N 2.89Å; T1028-Y1030 VanDerWaalsContact C-N 3.33Å; T1028-Y1030 PolarHBondContact O-N 3.23Å; T1028-K1031 PolarHBondContact O-N 3.35Å; T1028-A1032 PolarHBondContact O-N 3.31Å; T1028-A1032 VanDerWaalsContact O-N 3.12Å
1029P93.4Very high93.5Very high16 Ų1641.7 Ų41.710%0.10420%0.202CC..Hα-helixtrans-64.3-36.7-179.924.9-34.6000112.6F901 F912 C1026 A1032 F1033F901-P1029 HydrophobicContact CB-CG 4.27Å; F901-P1029 HydrophobicContact CD1-CB 3.79Å; F901-P1029 HydrophobicContact CD1-CG 4.17Å; F901-P1029 HydrophobicContact CE1-CB 4.29Å; F901-P1029 HydrophobicContact CG-CB 4.49Å; F901-P1029 HydrophobicContact CG-CG 4.4Å; F912-P1029 HydrophobicContact CD1-CB 3.66Å; F912-P1029 HydrophobicContact CD2-CB 3.85Å; F912-P1029 HydrophobicContact CE1-CB 3.65Å; F912-P1029 HydrophobicContact CE2-CB 3.85Å; F912-P1029 HydrophobicContact CG-CB 3.77Å; F912-P1029 HydrophobicContact CZ-CB 3.75Å; C1026-P1029 HydrophobicContact CB-CG 4.42Å; C1026-P1029 WeakPolarHBondContact O-CD 3.47Å; C1026-P1029 VanDerWaalsContact O-CG 3.32Å; C1026-P1029 WeakPolarHBondContact O-CG 3.26Å; P1029-A1032 PolarHBondContact O-N 3.12Å; P1029-F1033 WeakPolarHBondContact O-CB 3.09Å; P1029-F1033 PolarHBondContact O-N 3.16Å
1030Y94.5Very high93Very high9 Ų938.8 Ų38.84%0.03519%0.188CC..Hα-helixtrans-63.4-47.1174.7173.5-95.5000111.7F901 M937 K940 L941 C1026 T1028 A1032 F1033 E1034F901-Y1030 AromaticContact CE2-CD2 3.79Å; F901-Y1030 HydrophobicContact CE2-CD2 3.79Å; F901-Y1030 HydrophobicContact CE2-CG 4.39Å; F901-Y1030 HydrophobicContact CZ-CD2 4.08Å; M937-Y1030 HydrophobicContact SD-CD2 4.35Å; M937-Y1030 HydrophobicContact SD-CE2 4.29Å; K940-Y1030 HydrophobicContact CB-CE1 4.25Å; K940-Y1030 HydrophobicContact CB-CE2 3.57Å; K940-Y1030 VanDerWaalsContact CB-CZ 3.4Å; K940-Y1030 WeakPolarHBondContact CB-OH 3.39Å; K940-Y1030 HydrophobicContact CD-CD2 4.1Å; K940-Y1030 HydrophobicContact CD-CE2 3.86Å; K940-Y1030 VanDerWaalsContact CE-CD1 3.45Å; K940-Y1030 VanDerWaalsContact CE-CD2 3.43Å; K940-Y1030 VanDerWaalsContact CE-CE1 3.46Å; K940-Y1030 VanDerWaalsContact CE-CE2 3.41Å; K940-Y1030 VanDerWaalsContact CE-CG 3.47Å; K940-Y1030 VanDerWaalsContact CE-CZ 3.48Å; K940-Y1030 HydrophobicContact CG-CE2 4.37Å; K940-Y1030 PolarHBondContact O-OH 3.09Å; K940-Y1030 VanDerWaalsContact O-OH 3.12Å; L941-Y1030 PolarHBondContact N-OH 2.83Å; C1026-Y1030 WeakPolarHBondContact O-CB 3.41Å; C1026-Y1030 PolarHBondContact O-N 2.86Å; T1028-Y1030 VanDerWaalsContact C-N 3.33Å; T1028-Y1030 PolarHBondContact O-N 3.23Å; Y1030-A1032 VanDerWaalsContact C-N 3.27Å; Y1030-A1032 PolarHBondContact O-N 3.21Å; Y1030-F1033 PolarHBondContact O-N 2.82Å; Y1030-E1034 HydrophobicContact CE1-CB 3.99Å; Y1030-E1034 HydrophobicContact CE1-CG 4.35Å; Y1030-E1034 WeakPolarHBondContact CE1-OE1 3.4Å; Y1030-E1034 HydrophobicContact CE2-CB 4.47Å; Y1030-E1034 VanDerWaalsContact O-CB 3.31Å; Y1030-E1034 WeakPolarHBondContact O-CB 3.05Å; Y1030-E1034 PolarHBondContact O-N 3.42Å; Y1030-E1034 PolarHBondContact OH-OE1 3.48Å
1031K95.1Very high92.5Very high106 Ų10638.3 Ų38.346%0.46119%0.186SC..Hα-helixtrans-59.6-38.2178-81.7174.5174.3173.10112.3E1027 T1028 K1035E1027-K1031 HydrophobicContact CG-CD 4.09Å; E1027-K1031 VanDerWaalsContact O-CB 3.31Å; E1027-K1031 WeakPolarHBondContact O-CB 3.45Å; E1027-K1031 VanDerWaalsContact O-CG 3.23Å; E1027-K1031 WeakPolarHBondContact O-CG 3.46Å; E1027-K1031 PolarHBondContact O-N 2.91Å; E1027-K1031 IonicContact OE1-NZ 2.68Å; E1027-K1031 PolarHBondContact OE1-NZ 3.38Å; T1028-K1031 PolarHBondContact O-N 3.35Å; K1031-K1035 WeakPolarHBondContact O-CB 3.44Å; K1031-K1035 PolarHBondContact O-N 3.3Å
1032A94.7Very high91.8Very high8 Ų840.1 Ų40.17%0.06621%0.208CC..Hα-helixtrans-66.5-46.917500000111.7E909 F912 L913 T1028 P1029 Y1030 K1035 G1036E909-A1032 HydrophobicContact CB-CB 4.03Å; E909-A1032 WeakPolarHBondContact O-CB 3.47Å; F912-A1032 HydrophobicContact CB-CB 3.82Å; L913-A1032 WeakPolarHBondContact CA-O 3.47Å; L913-A1032 WeakPolarHBondContact CD1-O 3.29Å; T1028-A1032 PolarHBondContact O-N 3.31Å; T1028-A1032 VanDerWaalsContact O-N 3.12Å; P1029-A1032 PolarHBondContact O-N 3.12Å; Y1030-A1032 VanDerWaalsContact C-N 3.27Å; Y1030-A1032 PolarHBondContact O-N 3.21Å; A1032-K1035 PolarHBondContact O-N 2.91Å; A1032-G1036 PolarHBondContact O-N 3.26Å
1033F94.5Very high91.1Very high3 Ų340.9 Ų40.91%0.01322%0.216CC..Hα-helixtrans-58.3-50.3174.3170.4-92.7000112.5F901 F912 V915 G916 F933 M937 L941 P1029 Y1030 K1035 G1036 F1037F901-F1033 HydrophobicContact CE1-CB 4.06Å; F901-F1033 HydrophobicContact CE1-CG 4.42Å; F901-F1033 HydrophobicContact CZ-CB 3.95Å; F901-F1033 HydrophobicContact CZ-CD1 4.13Å; F901-F1033 HydrophobicContact CZ-CG 4.01Å; F912-F1033 HydrophobicContact CB-CB 4.48Å; F912-F1033 WeakPolarHBondContact O-CA 3.34Å; V915-F1033 HydrophobicContact CB-CD2 4.16Å; V915-F1033 HydrophobicContact CG1-CD2 3.95Å; V915-F1033 HydrophobicContact CG1-CE2 3.88Å; G916-F1033 WeakPolarHBondContact CA-O 3.31Å; F933-F1033 HydrophobicContact CE2-CE2 4.45Å; M937-F1033 HydrophobicContact CG-CE1 4.2Å; M937-F1033 HydrophobicContact SD-CD1 3.95Å; M937-F1033 HydrophobicContact SD-CE1 3.48Å; M937-F1033 WeakPolarHBondContact SD-CE1 3.36Å; M937-F1033 HydrophobicContact SD-CZ 4.1Å; L941-F1033 HydrophobicContact CD1-CE1 4.13Å; L941-F1033 HydrophobicContact CD2-CD1 4.43Å; L941-F1033 HydrophobicContact CD2-CE1 3.93Å; L941-F1033 HydrophobicContact CG-CE1 4.29Å; P1029-F1033 WeakPolarHBondContact O-CB 3.09Å; P1029-F1033 PolarHBondContact O-N 3.16Å; Y1030-F1033 PolarHBondContact O-N 2.82Å; F1033-K1035 VanDerWaalsContact C-N 3.35Å; F1033-K1035 PolarHBondContact O-N 3.38Å; F1033-G1036 PolarHBondContact O-N 2.86Å; F1033-G1036 VanDerWaalsContact O-N 3.1Å; F1033-F1037 PolarHBondContact O-N 3.22Å
1034E95Very high90.7Very high55 Ų5541.4 Ų41.426%0.25722%0.216SC..Hα-helixtrans-58.4-46.1178177-177.5-112.200111.2L941 Y1030 G1036 F1037 L1038L941-E1034 HydrophobicContact CD2-CB 4.49Å; L941-E1034 HydrophobicContact CD2-CG 4.44Å; Y1030-E1034 HydrophobicContact CE1-CB 3.99Å; Y1030-E1034 HydrophobicContact CE1-CG 4.35Å; Y1030-E1034 WeakPolarHBondContact CE1-OE1 3.4Å; Y1030-E1034 HydrophobicContact CE2-CB 4.47Å; Y1030-E1034 VanDerWaalsContact O-CB 3.31Å; Y1030-E1034 WeakPolarHBondContact O-CB 3.05Å; Y1030-E1034 PolarHBondContact O-N 3.42Å; Y1030-E1034 PolarHBondContact OH-OE1 3.48Å; E1034-G1036 VanDerWaalsContact C-N 3.28Å; E1034-G1036 PolarHBondContact O-N 3.19Å; E1034-F1037 PolarHBondContact O-N 3.17Å; E1034-L1038 HydrophobicContact CG-CD1 3.72Å; E1034-L1038 HydrophobicContact CG-CG 4.27Å; E1034-L1038 WeakPolarHBondContact O-CB 3.42Å; E1034-L1038 WeakPolarHBondContact O-CG 3.15Å; E1034-L1038 PolarHBondContact O-N 3.05Å
1035K94.3Very high90.3Very high125 Ų12537 Ų3754%0.54320%0.196SC..Hα-helixtrans-57.2-43.1175.2179.4-177.9174.8-172.30111.3L913 K1031 A1032 F1033 Q1039L913-K1035 HydrophobicContact CD1-CB 4.05Å; L913-K1035 HydrophobicContact CD1-CD 3.99Å; L913-K1035 HydrophobicContact CD1-CG 3.84Å; K1031-K1035 WeakPolarHBondContact O-CB 3.44Å; K1031-K1035 PolarHBondContact O-N 3.3Å; A1032-K1035 PolarHBondContact O-N 2.91Å; F1033-K1035 VanDerWaalsContact C-N 3.35Å; F1033-K1035 PolarHBondContact O-N 3.38Å; K1035-Q1039 VanDerWaalsContact O-CG 3.24Å; K1035-Q1039 WeakPolarHBondContact O-CG 3.23Å; K1035-Q1039 PolarHBondContact O-N 2.91Å; K1035-Q1039 VanDerWaalsContact O-N 3.11Å
1036G92.5Very high90.2Very high0 Ų036.7 Ų36.70%019%0.194CC..Hα-helixtrans-66.5-43.817900000112G916 I917 A1032 F1033 E1034 Q1039G916-G1036 VanDerWaalsContact C-C 3.42Å; I917-G1036 WeakPolarHBondContact CA-O 3.22Å; I917-G1036 WeakPolarHBondContact CG1-O 3.36Å; A1032-G1036 PolarHBondContact O-N 3.26Å; F1033-G1036 PolarHBondContact O-N 2.86Å; F1033-G1036 VanDerWaalsContact O-N 3.1Å; E1034-G1036 VanDerWaalsContact C-N 3.28Å; E1034-G1036 PolarHBondContact O-N 3.19Å; G1036-Q1039 PolarHBondContact O-N 3.27Å
1037F92.4Very high89.9Confident1 Ų144.6 Ų44.60%0.00423%0.228CC..Hα-helixtrans-61.8-49.6177.6-175.1-90.7000111.9G916 C919 I923 L941 F1033 E1034 Q1039 V1040 C1041 L1046G916-F1037 VanDerWaalsContact C-N 3.33Å; G916-F1037 VanDerWaalsContact O-CA 3.26Å; G916-F1037 WeakPolarHBondContact O-CA 3.46Å; G916-F1037 PolarHBondContact O-N 2.81Å; C919-F1037 HydrophobicContact CB-CD2 3.91Å; C919-F1037 HydrophobicContact CB-CE2 4.23Å; I923-F1037 HydrophobicContact CD1-CE2 3.61Å; I923-F1037 HydrophobicContact CD1-CZ 3.65Å; L941-F1037 HydrophobicContact CD1-CD1 4.18Å; L941-F1037 HydrophobicContact CD1-CD2 4.27Å; L941-F1037 HydrophobicContact CD1-CE1 4.09Å; L941-F1037 HydrophobicContact CD1-CE2 4.18Å; L941-F1037 HydrophobicContact CD1-CG 4.26Å; L941-F1037 HydrophobicContact CD1-CZ 4.1Å; L941-F1037 HydrophobicContact CD2-CB 4.06Å; L941-F1037 HydrophobicContact CD2-CD1 3.69Å; L941-F1037 HydrophobicContact CD2-CE1 4.3Å; L941-F1037 HydrophobicContact CD2-CG 3.88Å; L941-F1037 HydrophobicContact CG-CD1 4.45Å; F1033-F1037 PolarHBondContact O-N 3.22Å; E1034-F1037 PolarHBondContact O-N 3.17Å; F1037-Q1039 VanDerWaalsContact C-N 3.29Å; F1037-Q1039 PolarHBondContact O-N 2.93Å; F1037-V1040 PolarHBondContact O-N 3.15Å; F1037-V1040 VanDerWaalsContact O-N 3.16Å; F1037-C1041 HydrophobicContact CD1-CB 4.21Å; F1037-C1041 HydrophobicContact CE1-CB 3.74Å; F1037-C1041 HydrophobicContact CZ-CB 3.94Å; F1037-C1041 PolarHBondContact O-N 3.29Å; F1037-L1046 HydrophobicContact CE1-CD1 3.87Å; F1037-L1046 HydrophobicContact CE1-CD2 3.85Å; F1037-L1046 HydrophobicContact CZ-CD1 4.15Å
1038L91.2Very high89.8Confident68 Ų6841.2 Ų41.236%0.35621%0.213SC..Hα-helixtrans-71.7-19.1-177.9-65.6177.3000113.5E1034 V1040 G1042 L1046E1034-L1038 HydrophobicContact CG-CD1 3.72Å; E1034-L1038 HydrophobicContact CG-CG 4.27Å; E1034-L1038 WeakPolarHBondContact O-CB 3.42Å; E1034-L1038 WeakPolarHBondContact O-CG 3.15Å; E1034-L1038 PolarHBondContact O-N 3.05Å; L1038-V1040 PolarHBondContact O-N 3.14Å; L1038-G1042 VanDerWaalsContact O-CA 3.22Å; L1038-G1042 WeakPolarHBondContact O-CA 3.39Å; L1038-G1042 PolarHBondContact O-N 3.06Å; L1038-L1046 HydrophobicContact CD2-CD2 3.79Å
1039Q89.4Confident89.8Confident47 Ų4737.9 Ų37.922%0.2219%0.192CC..Hα-helixtrans-62.4-33170.3-83.81752.400112P848 F851 K1035 G1036 F1037P848-Q1039 HydrophobicContact CB-CG 4.37Å; F851-Q1039 HydrophobicContact CD2-CB 4.37Å; K1035-Q1039 VanDerWaalsContact O-CG 3.24Å; K1035-Q1039 WeakPolarHBondContact O-CG 3.23Å; K1035-Q1039 PolarHBondContact O-N 2.91Å; K1035-Q1039 VanDerWaalsContact O-N 3.11Å; G1036-Q1039 PolarHBondContact O-N 3.27Å; F1037-Q1039 VanDerWaalsContact C-N 3.29Å; F1037-Q1039 PolarHBondContact O-N 2.93Å
1040V86.9Confident89.6Confident0 Ų038.7 Ų38.70%019%0.194CC..Hα-helixtrans-94.9-59177-168.40000110F851 I917 G920 L921 Y924 F1037 L1038 G1042F851-V1040 HydrophobicContact CB-CG2 4.1Å; F851-V1040 HydrophobicContact CD2-CG2 4.44Å; I917-V1040 HydrophobicContact CG2-CG2 4.02Å; G920-V1040 VanDerWaalsContact C-CG1 3.48Å; G920-V1040 WeakPolarHBondContact O-CG1 3.18Å; L921-V1040 HydrophobicContact CD2-CG1 4.19Å; L921-V1040 HydrophobicContact CD2-CG2 4.48Å; L921-V1040 HydrophobicContact CG-CG1 4.5Å; L921-V1040 HydrophobicContact CG-CG2 4.3Å; Y924-V1040 HydrophobicContact CD1-CG1 3.49Å; Y924-V1040 VanDerWaalsContact CD1-CG1 3.49Å; Y924-V1040 HydrophobicContact CD2-CG1 4.48Å; Y924-V1040 HydrophobicContact CE1-CG1 3.7Å; Y924-V1040 WeakPolarHBondContact CE1-O 3.01Å; Y924-V1040 HydrophobicContact CG-CG1 3.93Å; Y924-V1040 PolarHBondContact OH-O 3.1Å; F1037-V1040 PolarHBondContact O-N 3.15Å; F1037-V1040 VanDerWaalsContact O-N 3.16Å; L1038-V1040 PolarHBondContact O-N 3.14Å; V1040-G1042 PolarHBondContact O-N 2.77Å
1041C84.5Confident89.4Confident4 Ų438.4 Ų38.43%0.02719%0.193CC..Hα-helixtrans-97.435.6-172.4-74.40000114.2G920 F1037 G1043 L1046G920-C1041 PolarHBondContact O-SG 3.27Å; F1037-C1041 HydrophobicContact CD1-CB 4.21Å; F1037-C1041 HydrophobicContact CE1-CB 3.74Å; F1037-C1041 HydrophobicContact CZ-CB 3.94Å; F1037-C1041 PolarHBondContact O-N 3.29Å; C1041-G1043 VanDerWaalsContact C-N 3.31Å; C1041-G1043 PolarHBondContact O-N 2.95Å; C1041-L1046 VanDerWaalsContact O-CD2 3.3Å; C1041-L1046 WeakPolarHBondContact O-CD2 3.37Å
1042G78.5Confident89.1Confident51 Ų5136 Ų3653%0.52619%0.19SC..  trans-84.715.1-179.100000116.6L1038 V1040L1038-G1042 VanDerWaalsContact O-CA 3.22Å; L1038-G1042 WeakPolarHBondContact O-CA 3.39Å; L1038-G1042 PolarHBondContact O-N 3.06Å; V1040-G1042 PolarHBondContact O-N 2.77Å
1043G81.4Confident88.9Confident19 Ų1935.9 Ų35.920%0.19619%0.188CC..SBendtrans-76.7179.7-172.500000115.4E786 C1041 S1045E786-G1043 VanDerWaalsContact OE1-CA 3.22Å; E786-G1043 WeakPolarHBondContact OE1-CA 3.39Å; C1041-G1043 VanDerWaalsContact C-N 3.31Å; C1041-G1043 PolarHBondContact O-N 2.95Å; G1043-S1045 VanDerWaalsContact C-N 3.31Å
1044Y84.6Confident88.7Confident90 Ų9035.7 Ų35.735%0.35319%0.187SC..THydrogen-bonded Turntrans-68.9-30.9175.7-71.7-85.7000112L754 C757 N758 E786 L1046 K1047L754-Y1044 HydrophobicContact CD1-CD2 3.51Å; L754-Y1044 HydrophobicContact CD1-CE2 4.28Å; L754-Y1044 HydrophobicContact CD1-CG 4.1Å; C757-Y1044 HydrophobicContact CB-CE1 4.25Å; N758-Y1044 WeakPolarHBondContact OD1-CE2 3.41Å; E786-Y1044 PolarHBondContact OE1-N 2.69Å; E786-Y1044 PolarHBondContact OE2-N 3.45Å; Y1044-L1046 VanDerWaalsContact C-N 3.31Å; Y1044-L1046 PolarHBondContact O-N 3.2Å; Y1044-K1047 PolarHBondContact O-N 3.44Å
1045S85.3Confident88.3Confident0 Ų034.9 Ų34.90%018%0.183CC..THydrogen-bonded Turntrans-64.1-34-177.9-53.60000112.9F750 E786 G1043 K1047 L1048 F1049F750-S1045 WeakPolarHBondContact CZ-OG 3.24Å; E786-S1045 WeakPolarHBondContact OE2-CB 3.29Å; E786-S1045 PolarHBondContact OE2-N 3.22Å; E786-S1045 PolarHBondContact OE2-OG 3.25Å; G1043-S1045 VanDerWaalsContact C-N 3.31Å; S1045-K1047 PolarHBondContact O-N 3.12Å; S1045-L1048 VanDerWaalsContact O-CB 3.26Å; S1045-L1048 WeakPolarHBondContact O-CB 3.35Å; S1045-L1048 WeakPolarHBondContact O-CG 3.44Å; S1045-L1048 PolarHBondContact O-N 2.92Å; S1045-F1049 VanDerWaalsContact O-CD2 3.24Å; S1045-F1049 WeakPolarHBondContact O-CD2 3.35Å; S1045-F1049 WeakPolarHBondContact O-CE2 3.33Å
1046L87.9Confident87.8Confident10 Ų1031 Ų315%0.05217%0.171CC..G310 helixtrans-58.6-39.9-178.5-17473.8000111L942 F1037 L1038 C1041 Y1044 L1048 F1049 L1054L942-L1046 HydrophobicContact CD2-CG 4.11Å; L942-L1046 VanDerWaalsContact CD2-O 3.23Å; L942-L1046 WeakPolarHBondContact CD2-O 3.38Å; F1037-L1046 HydrophobicContact CE1-CD1 3.87Å; F1037-L1046 HydrophobicContact CE1-CD2 3.85Å; F1037-L1046 HydrophobicContact CZ-CD1 4.15Å; L1038-L1046 HydrophobicContact CD2-CD2 3.79Å; C1041-L1046 VanDerWaalsContact O-CD2 3.3Å; C1041-L1046 WeakPolarHBondContact O-CD2 3.37Å; Y1044-L1046 VanDerWaalsContact C-N 3.31Å; Y1044-L1046 PolarHBondContact O-N 3.2Å; L1046-L1048 PolarHBondContact O-N 3.27Å; L1046-L1048 VanDerWaalsContact O-N 3.13Å; L1046-F1049 PolarHBondContact O-N 3.23Å; L1046-L1054 HydrophobicContact CD1-CD1 3.69Å; L1046-L1054 HydrophobicContact CD1-CD2 4.04Å
1047K86.9Confident87.5Confident167 Ų16732.3 Ų32.373%0.72618%0.178SC*.G310 helixtrans-70.1-6.9-179.7-60.6-178.5-179.3178.70113.9Y1044 S1045Y1044-K1047 PolarHBondContact O-N 3.44Å; S1045-K1047 PolarHBondContact O-N 3.12Å
1048L90.2Very high87Confident10 Ų1032.4 Ų32.45%0.05218%0.179CC..G310 helixtrans-84.2-18.1177.4-53.7179.9000112.3F750 W753 P771 K779 M782 S1045 L1046F750-L1048 HydrophobicContact CE2-CD1 4.09Å; W753-L1048 HydrophobicContact CH2-CD2 4.28Å; P771-L1048 HydrophobicContact CB-CB 4.06Å; P771-L1048 HydrophobicContact CB-CD2 3.93Å; P771-L1048 HydrophobicContact CG-CD2 3.58Å; K779-L1048 WeakPolarHBondContact CD-O 3.22Å; K779-L1048 WeakPolarHBondContact CE-O 3.28Å; K779-L1048 PolarHBondContact NZ-O 3.23Å; M782-L1048 HydrophobicContact SD-CD1 3.75Å; S1045-L1048 VanDerWaalsContact O-CB 3.26Å; S1045-L1048 WeakPolarHBondContact O-CB 3.35Å; S1045-L1048 WeakPolarHBondContact O-CG 3.44Å; S1045-L1048 PolarHBondContact O-N 2.92Å; L1046-L1048 PolarHBondContact O-N 3.27Å; L1046-L1048 VanDerWaalsContact O-N 3.13Å
1049F91.7Very high86.4Confident7 Ų729.3 Ų29.33%0.03116%0.163CC..SBendtrans-82.4146.9-176.8-70.3-97.2000112.1K779 L783 L942 S1045 L1046 E1053 L1054 L1057K779-F1049 HydrophobicContact CB-CD1 4.05Å; K779-F1049 HydrophobicContact CB-CD2 4.39Å; K779-F1049 HydrophobicContact CB-CE1 3.54Å; K779-F1049 HydrophobicContact CB-CE2 3.92Å; K779-F1049 HydrophobicContact CB-CG 4.46Å; K779-F1049 HydrophobicContact CB-CZ 3.49Å; K779-F1049 VanDerWaalsContact CB-CZ 3.49Å; K779-F1049 HydrophobicContact CD-CD1 4.31Å; K779-F1049 HydrophobicContact CD-CG 4.49Å; K779-F1049 WeakPolarHBondContact O-CZ 3.46Å; L783-F1049 HydrophobicContact CB-CE2 4.2Å; L783-F1049 HydrophobicContact CB-CZ 4.3Å; L783-F1049 HydrophobicContact CD1-CE2 3.81Å; L783-F1049 HydrophobicContact CD1-CZ 4.21Å; L942-F1049 WeakPolarHBondContact CD1-O 3.25Å; S1045-F1049 VanDerWaalsContact O-CD2 3.24Å; S1045-F1049 WeakPolarHBondContact O-CD2 3.35Å; S1045-F1049 WeakPolarHBondContact O-CE2 3.33Å; L1046-F1049 PolarHBondContact O-N 3.23Å; F1049-E1053 WeakPolarHBondContact CA-OE2 3.11Å; F1049-E1053 HydrophobicContact CD1-CB 3.86Å; F1049-L1054 HydrophobicContact CB-CB 4.13Å; F1049-L1057 HydrophobicContact CE1-CD2 3.89Å; F1049-L1057 HydrophobicContact CE2-CD2 4.49Å; F1049-L1057 HydrophobicContact CZ-CD2 3.79Å
1050Q90.1Very high85.8Confident33 Ų3327.2 Ų27.215%0.15415%0.154CC..  trans-80.8155.8158.7-67.1-68-40.100109.6S1052 E1053 L1054Q1050-S1052 VanDerWaalsContact C-N 3.26Å; Q1050-S1052 PolarHBondContact O-N 3.2Å; Q1050-E1053 HydrophobicContact CB-CB 4.4Å; Q1050-E1053 HydrophobicContact CB-CG 3.92Å; Q1050-E1053 PolarHBondContact N-OE2 2.84Å; Q1050-E1053 WeakPolarHBondContact O-CB 3.35Å; Q1050-E1053 PolarHBondContact O-N 3.07Å; Q1050-L1054 PolarHBondContact O-N 2.89Å
1051P90.6Very high85.2Confident3 Ų328.5 Ų28.52%0.01916%0.163CC..Hα-helixtrans-52.6-41.7179.2-27.833.5000113.8L935 F938 R939 L942 E944 L1054 Q1055L935-P1051 VanDerWaalsContact CD1-C 3.45Å; L935-P1051 HydrophobicContact CD1-CB 3.73Å; L935-P1051 HydrophobicContact CG-CB 4.11Å; F938-P1051 HydrophobicContact CB-CB 4.45Å; F938-P1051 WeakPolarHBondContact CB-O 3.13Å; R939-P1051 HydrophobicContact CB-CG 4.46Å; R939-P1051 HydrophobicContact CG-CB 3.64Å; R939-P1051 HydrophobicContact CG-CG 3.59Å; L942-P1051 HydrophobicContact CD1-CB 4.39Å; L942-P1051 HydrophobicContact CD1-CG 3.96Å; E944-P1051 WeakPolarHBondContact OE2-CG 3.31Å; P1051-L1054 PolarHBondContact O-N 2.87Å; P1051-Q1055 WeakPolarHBondContact O-CB 3.22Å; P1051-Q1055 PolarHBondContact O-N 3.12Å
1052S88.8Confident84.6Confident55 Ų5533.3 Ų33.339%0.38519%0.185SC..Hα-helixtrans-72.4-31.4-179.454.50000112.9Q1050 S1056Q1050-S1052 VanDerWaalsContact C-N 3.26Å; Q1050-S1052 PolarHBondContact O-N 3.2Å; S1052-S1056 WeakPolarHBondContact O-CB 3.49Å; S1052-S1056 PolarHBondContact O-N 3.12Å; S1052-S1056 PolarHBondContact O-OG 3.19Å
1053E90.1Very high84.2Confident5 Ų536.8 Ų36.82%0.02320%0.196CC..Hα-helixtrans-71.2-41.6174.4-60.6170.7157.300110.4Y736 A776 K779 F1049 Q1050 S1056 L1057 I1117Y736-E1053 PolarHBondContact OH-OE1 3.19Å; A776-E1053 HydrophobicContact CB-CB 3.97Å; A776-E1053 HydrophobicContact CB-CG 3.93Å; K779-E1053 VanDerWaalsContact CD-OE2 3.32Å; K779-E1053 WeakPolarHBondContact CD-OE2 3.4Å; K779-E1053 IonicContact NZ-OE1 2.75Å; K779-E1053 PolarHBondContact NZ-OE1 3.03Å; K779-E1053 IonicContact NZ-OE2 3.94Å; K779-E1053 PolarHBondContact NZ-OE2 2.87Å; F1049-E1053 WeakPolarHBondContact CA-OE2 3.11Å; F1049-E1053 HydrophobicContact CD1-CB 3.86Å; Q1050-E1053 HydrophobicContact CB-CB 4.4Å; Q1050-E1053 HydrophobicContact CB-CG 3.92Å; Q1050-E1053 PolarHBondContact N-OE2 2.84Å; Q1050-E1053 WeakPolarHBondContact O-CB 3.35Å; Q1050-E1053 PolarHBondContact O-N 3.07Å; E1053-S1056 PolarHBondContact O-N 2.88Å; E1053-L1057 WeakPolarHBondContact O-CB 3.44Å; E1053-L1057 PolarHBondContact O-N 2.99Å; E1053-I1117 WeakPolarHBondContact O-CD1 3.27Å
1054L89.7Confident83.9Confident0 Ų036.9 Ų36.90%019%0.192CC..Hα-helixtrans-65.8-43175.8-17662.2000111.1F938 L941 L942 L1046 F1049 Q1050 P1051 S1056 L1057 V1058F938-L1054 HydrophobicContact CB-CB 4.45Å; F938-L1054 HydrophobicContact CB-CD2 4.28Å; F938-L1054 HydrophobicContact CD1-CB 4.34Å; F938-L1054 HydrophobicContact CD1-CD2 4.03Å; F938-L1054 HydrophobicContact CD1-CG 3.8Å; L941-L1054 HydrophobicContact CB-CD2 4.3Å; L941-L1054 HydrophobicContact CD1-CD2 4.48Å; L942-L1054 HydrophobicContact CD1-CD2 4.37Å; L942-L1054 HydrophobicContact CD2-CD2 4.09Å; L942-L1054 HydrophobicContact CG-CD2 4.02Å; L1046-L1054 HydrophobicContact CD1-CD1 3.69Å; L1046-L1054 HydrophobicContact CD1-CD2 4.04Å; F1049-L1054 HydrophobicContact CB-CB 4.13Å; Q1050-L1054 PolarHBondContact O-N 2.89Å; P1051-L1054 PolarHBondContact O-N 2.87Å; L1054-S1056 VanDerWaalsContact C-N 3.32Å; L1054-S1056 PolarHBondContact O-N 2.83Å; L1054-L1057 HydrophobicContact CD1-CD2 4.16Å; L1054-L1057 WeakPolarHBondContact O-CB 3.35Å; L1054-L1057 PolarHBondContact O-N 3.38Å; L1054-V1058 HydrophobicContact CD1-CG2 4.5Å; L1054-V1058 WeakPolarHBondContact O-CG2 3.05Å; L1054-V1058 PolarHBondContact O-N 2.88Å; L1054-V1058 VanDerWaalsContact O-N 3.13Å
1055Q88Confident83.6Confident38 Ų3836.6 Ų36.618%0.17820%0.197CC..Hα-helixtrans-57-48.6172.1-177.9179.241.800110.9F933 L935 F938 P1051 L1057 V1058 V1059F933-Q1055 PolarHBondContact O-NE2 2.85Å; L935-Q1055 HydrophobicContact CD1-CB 4.44Å; F938-Q1055 HydrophobicContact CD1-CB 4.34Å; F938-Q1055 HydrophobicContact CD2-CB 3.49Å; F938-Q1055 VanDerWaalsContact CD2-CB 3.49Å; F938-Q1055 HydrophobicContact CD2-CG 3.76Å; F938-Q1055 HydrophobicContact CE1-CB 4.43Å; F938-Q1055 HydrophobicContact CE2-CB 3.64Å; F938-Q1055 HydrophobicContact CE2-CG 3.46Å; F938-Q1055 VanDerWaalsContact CE2-CG 3.46Å; F938-Q1055 HydrophobicContact CG-CB 3.86Å; F938-Q1055 HydrophobicContact CZ-CB 4.1Å; F938-Q1055 HydrophobicContact CZ-CG 4.04Å; P1051-Q1055 WeakPolarHBondContact O-CB 3.22Å; P1051-Q1055 PolarHBondContact O-N 3.12Å; Q1055-L1057 PolarHBondContact O-N 2.74Å; Q1055-V1058 PolarHBondContact O-N 2.79Å; Q1055-V1059 HydrophobicContact CG-CG2 4.08Å; Q1055-V1059 WeakPolarHBondContact O-CB 3.45Å; Q1055-V1059 VanDerWaalsContact O-CG2 3.3Å; Q1055-V1059 WeakPolarHBondContact O-CG2 3.09Å; Q1055-V1059 PolarHBondContact O-N 2.81Å
1056S84.2Confident83.5Confident42 Ų4238.5 Ų38.529%0.29420%0.204SC..Hα-helixtrans-62-27.9177.6-60.10000112.1S1052 E1053 L1054 G1060 I1117S1052-S1056 WeakPolarHBondContact O-CB 3.49Å; S1052-S1056 PolarHBondContact O-N 3.12Å; S1052-S1056 PolarHBondContact O-OG 3.19Å; E1053-S1056 PolarHBondContact O-N 2.88Å; L1054-S1056 VanDerWaalsContact C-N 3.32Å; L1054-S1056 PolarHBondContact O-N 2.83Å; S1056-G1060 CarbonylContact O-C 3.55Å; S1056-G1060 VanDerWaalsContact O-C 3.31Å; S1056-G1060 WeakPolarHBondContact O-CA 3.43Å; S1056-G1060 PolarHBondContact O-N 2.9Å; S1056-I1117 VanDerWaalsContact O-CG1 3.25Å; S1056-I1117 WeakPolarHBondContact O-CG1 3.36Å
1057L84.4Confident83.2Confident28 Ų2842.7 Ų42.715%0.14723%0.227CC..Hα-helixtrans-72.9-41.5-178.5179.869.4000110.5A780 L783 I923 F1049 E1053 L1054 Q1055 I1117A780-L1057 HydrophobicContact CB-CD1 3.61Å; L783-L1057 HydrophobicContact CD1-CD2 4.05Å; I923-L1057 HydrophobicContact CG2-CD2 3.9Å; I923-L1057 HydrophobicContact CG2-CG 4.44Å; F1049-L1057 HydrophobicContact CE1-CD2 3.89Å; F1049-L1057 HydrophobicContact CE2-CD2 4.49Å; F1049-L1057 HydrophobicContact CZ-CD2 3.79Å; E1053-L1057 WeakPolarHBondContact O-CB 3.44Å; E1053-L1057 PolarHBondContact O-N 2.99Å; L1054-L1057 HydrophobicContact CD1-CD2 4.16Å; L1054-L1057 WeakPolarHBondContact O-CB 3.35Å; L1054-L1057 PolarHBondContact O-N 3.38Å; Q1055-L1057 PolarHBondContact O-N 2.74Å; L1057-I1117 VanDerWaalsContact CA-CD1 3.42Å; L1057-I1117 HydrophobicContact CB-CD1 3.83Å; L1057-I1117 HydrophobicContact CD1-CD1 4.33Å; L1057-I1117 VanDerWaalsContact N-CD1 3.25Å
1058V82Confident83Confident4 Ų437 Ų372%0.02420%0.202CC..Hα-helixtrans-82.7-46.8-177.2-171.80000111.6I923 V929 L931 F938 L1054 Q1055I923-V1058 HydrophobicContact CD1-CG2 3.63Å; I923-V1058 HydrophobicContact CG1-CG2 3.91Å; V929-V1058 PolarHBondContact N-O 2.86Å; V929-V1058 VanDerWaalsContact N-O 3.15Å; L931-V1058 HydrophobicContact CD1-CB 4.48Å; L931-V1058 HydrophobicContact CD1-CG1 3.31Å; L931-V1058 HydrophobicContact CG-CG1 4.15Å; F938-V1058 HydrophobicContact CE1-CB 4.07Å; F938-V1058 HydrophobicContact CE1-CG2 3.94Å; F938-V1058 HydrophobicContact CZ-CB 4.48Å; L1054-V1058 HydrophobicContact CD1-CG2 4.5Å; L1054-V1058 WeakPolarHBondContact O-CG2 3.05Å; L1054-V1058 PolarHBondContact O-N 2.88Å; L1054-V1058 VanDerWaalsContact O-N 3.13Å; Q1055-V1058 PolarHBondContact O-N 2.79Å
1059V79.4Confident82.7Confident3 Ų336.6 Ų36.62%0.01820%0.201CC..Hα-helixtrans-86.6-21.9-175-162.80000112.1I928 V929 L931 F938 Q1055 R1114I928-V1059 VanDerWaalsContact CG2-C 3.48Å; I928-V1059 WeakPolarHBondContact CG2-O 3.24Å; V929-V1059 WeakPolarHBondContact O-CA 3.46Å; L931-V1059 HydrophobicContact CB-CG2 4.15Å; L931-V1059 VanDerWaalsContact O-CG2 3.31Å; L931-V1059 WeakPolarHBondContact O-CG2 3.29Å; F938-V1059 HydrophobicContact CZ-CG2 4.13Å; Q1055-V1059 HydrophobicContact CG-CG2 4.08Å; Q1055-V1059 WeakPolarHBondContact O-CB 3.45Å; Q1055-V1059 VanDerWaalsContact O-CG2 3.3Å; Q1055-V1059 WeakPolarHBondContact O-CG2 3.09Å; Q1055-V1059 PolarHBondContact O-N 2.81Å; V1059-R1114 WeakPolarHBondContact O-CD 3.44Å
1060G76.8Confident82.5Confident2 Ų240.1 Ų40.12%0.02121%0.214CC..  trans91.4158.4-175.200000113.3S1056 V1115S1056-G1060 CarbonylContact O-C 3.55Å; S1056-G1060 VanDerWaalsContact O-C 3.31Å; S1056-G1060 WeakPolarHBondContact O-CA 3.43Å; S1056-G1060 PolarHBondContact O-N 2.9Å; G1060-V1115 CarbonylContact C-O 3.55Å; G1060-V1115 VanDerWaalsContact CA-O 3.31Å; G1060-V1115 WeakPolarHBondContact CA-O 3.35Å
1061S74.6Confident82.2Confident28 Ų2846 Ų4620%0.19624%0.241CC..BIsolated β-bridgetrans-83.8138.1177.7176.40000111.2V1063 V1115S1061-V1063 VanDerWaalsContact C-N 3.32Å; S1061-V1063 PolarHBondContact OG-N 3.03Å; S1061-V1063 PolarHBondContact OG-O 2.86Å; S1061-V1115 PolarHBondContact N-O 3.44Å; S1061-V1115 PolarHBondContact O-N 3.46Å; S1061-V1115 VanDerWaalsContact O-N 3.08Å
1062E70.9Confident81.9Confident104 Ų10448.5 Ų48.549%0.48625%0.254SS..SBendtrans-79.2-17.8167-60.4-166-175.400112.9V1064 K1103 R1114E1062-V1064 PolarHBondContact O-N 2.87Å; E1062-K1103 IonicContact OE1-NZ 3.85Å; E1062-K1103 IonicContact OE2-NZ 3.01Å; E1062-K1103 PolarHBondContact OE2-NZ 3.19Å; E1062-R1114 IonicContact OE1-NH2 3.48Å
1063V70.5Confident81.9Confident125 Ų12546.3 Ų46.376%0.75824%0.238SC*.  trans-83.5104-179.8-175.90000108.3S1061S1061-V1063 VanDerWaalsContact C-N 3.32Å; S1061-V1063 PolarHBondContact OG-N 3.03Å; S1061-V1063 PolarHBondContact OG-O 2.86Å
1064V74.8Confident82Confident20 Ų2049 Ų4912%0.12126%0.256CS..  trans-101.6122-178.7-174.30000110E1062 W1066 L1106 V1115 F1120E1062-V1064 PolarHBondContact O-N 2.87Å; V1064-W1066 HydrophobicContact CB-CZ2 3.82Å; V1064-W1066 HydrophobicContact CG1-CD2 4.02Å; V1064-W1066 HydrophobicContact CG1-CE3 4.38Å; V1064-W1066 HydrophobicContact CG1-CG 4.48Å; V1064-W1066 HydrophobicContact CG1-CH2 4.14Å; V1064-W1066 HydrophobicContact CG1-CZ2 3.74Å; V1064-W1066 HydrophobicContact CG1-CZ3 4.45Å; V1064-W1066 HydrophobicContact CG2-CZ2 4.23Å; V1064-W1066 VanDerWaalsContact O-CD1 3.26Å; V1064-W1066 PolarHBondContact O-N 2.93Å; V1064-W1066 PolarHBondContact O-NE1 3.11Å; V1064-L1106 HydrophobicContact CG2-CD2 4.2Å; V1064-V1115 HydrophobicContact CG1-CG1 4.21Å; V1064-V1115 HydrophobicContact CG2-CG1 3.97Å; V1064-V1115 HydrophobicContact CG2-CG2 4.07Å; V1064-F1120 HydrophobicContact CG1-CE2 3.52Å; V1064-F1120 HydrophobicContact CG1-CZ 3.92Å
1065N79.3Confident82.1Confident84 Ų8451.3 Ų51.345%0.44927%0.265SS..  trans-82.496.8168.7-174.4-9.5000109.8D1067 E1068 L1069N1065-D1067 VanDerWaalsContact C-N 3.28Å; N1065-D1067 PolarHBondContact O-N 2.87Å; N1065-D1067 PolarHBondContact OD1-N 3.12Å; N1065-E1068 HydrophobicContact CB-CB 3.95Å; N1065-E1068 PolarHBondContact O-N 2.81Å; N1065-E1068 PolarHBondContact OD1-N 3.4Å; N1065-L1069 PolarHBondContact O-N 3Å; N1065-L1069 VanDerWaalsContact O-N 3.09Å
1066W83.4Confident82.2Confident41 Ų4153.9 Ų53.916%0.15528%0.277CS..Hα-helixtrans-68.3-25.3-177.5-59.992.3000113.7V1064 L1069 R1070 L1093 L1094 K1102 F1105V1064-W1066 HydrophobicContact CB-CZ2 3.82Å; V1064-W1066 HydrophobicContact CG1-CD2 4.02Å; V1064-W1066 HydrophobicContact CG1-CE3 4.38Å; V1064-W1066 HydrophobicContact CG1-CG 4.48Å; V1064-W1066 HydrophobicContact CG1-CH2 4.14Å; V1064-W1066 HydrophobicContact CG1-CZ2 3.74Å; V1064-W1066 HydrophobicContact CG1-CZ3 4.45Å; V1064-W1066 HydrophobicContact CG2-CZ2 4.23Å; V1064-W1066 VanDerWaalsContact O-CD1 3.26Å; V1064-W1066 PolarHBondContact O-N 2.93Å; V1064-W1066 PolarHBondContact O-NE1 3.11Å; W1066-L1069 HydrophobicContact CE3-CD2 3.67Å; W1066-L1069 HydrophobicContact CZ3-CD2 3.75Å; W1066-L1069 WeakPolarHBondContact O-CB 3.47Å; W1066-R1070 PolarHBondContact O-N 3.4Å; W1066-R1070 VanDerWaalsContact O-N 3.08Å; W1066-L1093 HydrophobicContact CE3-CD2 4.12Å; W1066-L1093 HydrophobicContact CE3-CG 4.22Å; W1066-L1093 HydrophobicContact CZ3-CD1 4.07Å; W1066-L1093 HydrophobicContact CZ3-CD2 4.06Å; W1066-L1093 HydrophobicContact CZ3-CG 4.22Å; W1066-L1094 HydrophobicContact CB-CD2 3.32Å; W1066-L1094 HydrophobicContact CG-CD2 4.09Å; W1066-K1102 HydrophobicContact CD2-CD 4.38Å; W1066-K1102 HydrophobicContact CH2-CB 3.65Å; W1066-K1102 HydrophobicContact CH2-CG 4.01Å; W1066-K1102 WeakPolarHBondContact CH2-O 3.42Å; W1066-K1102 HydrophobicContact CZ2-CB 3.44Å; W1066-K1102 VanDerWaalsContact CZ2-CB 3.44Å; W1066-K1102 HydrophobicContact CZ2-CD 4.02Å; W1066-K1102 HydrophobicContact CZ2-CG 3.83Å; W1066-K1102 HydrophobicContact CZ3-CG 4.44Å; W1066-F1105 HydrophobicContact CZ3-CD1 4.35Å
1067D81.8Confident82.4Confident98 Ų9855.4 Ų55.452%0.52430%0.299SS..Hα-helixtrans-71.9-40.3175.7-67.5-41.7000111N1065 L1069 R1070 Q1071N1065-D1067 VanDerWaalsContact C-N 3.28Å; N1065-D1067 PolarHBondContact O-N 2.87Å; N1065-D1067 PolarHBondContact OD1-N 3.12Å; D1067-L1069 VanDerWaalsContact C-N 3.34Å; D1067-R1070 PolarHBondContact O-N 3.44Å; D1067-Q1071 VanDerWaalsContact O-CG 3.32Å; D1067-Q1071 WeakPolarHBondContact O-CG 3.29Å; D1067-Q1071 PolarHBondContact O-N 3.14Å
1068E81.1Confident82.5Confident46 Ų4657.6 Ų57.622%0.21531%0.31CS..Hα-helixtrans-63.6-41.8173.1-174.7-171158.700111.2N1065 R1070 Q1071 N1072 F1120 S1121N1065-E1068 HydrophobicContact CB-CB 3.95Å; N1065-E1068 PolarHBondContact O-N 2.81Å; N1065-E1068 PolarHBondContact OD1-N 3.4Å; E1068-R1070 VanDerWaalsContact C-N 3.3Å; E1068-R1070 PolarHBondContact O-N 2.89Å; E1068-Q1071 PolarHBondContact O-N 2.9Å; E1068-N1072 WeakPolarHBondContact O-CB 3.5Å; E1068-N1072 PolarHBondContact O-N 2.93Å; E1068-F1120 PolarHBondContact OE1-N 2.84Å; E1068-S1121 PolarHBondContact OE1-N 2.94Å
1069L84.2Confident83Confident3 Ų357.7 Ų57.72%0.01631%0.31CS..Hα-helixtrans-55.5-48174.417958.8000111.2N1065 W1066 D1067 Q1071 N1072 T1073 W1090 F1120 I1125N1065-L1069 PolarHBondContact O-N 3Å; N1065-L1069 VanDerWaalsContact O-N 3.09Å; W1066-L1069 HydrophobicContact CE3-CD2 3.67Å; W1066-L1069 HydrophobicContact CZ3-CD2 3.75Å; W1066-L1069 WeakPolarHBondContact O-CB 3.47Å; D1067-L1069 VanDerWaalsContact C-N 3.34Å; L1069-Q1071 VanDerWaalsContact C-N 3.34Å; L1069-Q1071 PolarHBondContact O-N 2.77Å; L1069-N1072 PolarHBondContact O-N 2.86Å; L1069-T1073 PolarHBondContact O-N 3.35Å; L1069-T1073 PolarHBondContact O-OG1 3.29Å; L1069-W1090 HydrophobicContact CD2-CH2 4.25Å; L1069-W1090 HydrophobicContact CD2-CZ3 4.23Å; L1069-W1090 HydrophobicContact CG-CH2 3.97Å; L1069-W1090 HydrophobicContact CG-CZ3 4.3Å; L1069-F1120 HydrophobicContact CB-CD2 3.6Å; L1069-F1120 HydrophobicContact CB-CE2 3.5Å; L1069-F1120 VanDerWaalsContact CB-CE2 3.5Å; L1069-F1120 HydrophobicContact CB-CG 4.23Å; L1069-F1120 HydrophobicContact CB-CZ 4.1Å; L1069-F1120 HydrophobicContact CD1-CD1 3.44Å; L1069-F1120 VanDerWaalsContact CD1-CD1 3.44Å; L1069-F1120 HydrophobicContact CD1-CD2 3.83Å; L1069-F1120 HydrophobicContact CD1-CE1 3.31Å; L1069-F1120 HydrophobicContact CD1-CE2 3.67Å; L1069-F1120 HydrophobicContact CD1-CG 3.7Å; L1069-F1120 HydrophobicContact CD1-CZ 3.41Å; L1069-F1120 VanDerWaalsContact CD1-CZ 3.41Å; L1069-F1120 HydrophobicContact CD2-CE2 4.12Å; L1069-F1120 HydrophobicContact CD2-CZ 3.93Å; L1069-F1120 HydrophobicContact CG-CD2 4.23Å; L1069-F1120 HydrophobicContact CG-CE1 4.35Å; L1069-F1120 HydrophobicContact CG-CE2 3.91Å; L1069-F1120 HydrophobicContact CG-CZ 3.97Å; L1069-I1125 HydrophobicContact CD1-CD1 3.19Å; L1069-I1125 HydrophobicContact CD1-CG1 4.38Å; L1069-I1125 HydrophobicContact CG-CD1 4.49Å
1070R87.1Confident83.5Confident81 Ų8164.2 Ų64.231%0.30633%0.334SS..Hα-helixtrans-62.4-39.8178.7178.4173.2-179.1-179.64.1112.6W1066 D1067 E1068 W1090W1066-R1070 PolarHBondContact O-N 3.4Å; W1066-R1070 VanDerWaalsContact O-N 3.08Å; D1067-R1070 PolarHBondContact O-N 3.44Å; E1068-R1070 VanDerWaalsContact C-N 3.3Å; E1068-R1070 PolarHBondContact O-N 2.89Å; R1070-W1090 VanDerWaalsContact CA-CH2 3.5Å; R1070-W1090 HydrophobicContact CB-CD2 4.03Å; R1070-W1090 HydrophobicContact CB-CE3 3.95Å; R1070-W1090 HydrophobicContact CB-CH2 3.85Å; R1070-W1090 HydrophobicContact CB-CZ2 3.9Å; R1070-W1090 HydrophobicContact CB-CZ3 3.85Å; R1070-W1090 HydrophobicContact CG-CD2 3.77Å; R1070-W1090 HydrophobicContact CG-CE3 4.2Å; R1070-W1090 HydrophobicContact CG-CG 4.17Å; R1070-W1090 HydrophobicContact CG-CH2 4.42Å; R1070-W1090 HydrophobicContact CG-CZ2 3.98Å; R1070-W1090 HydrophobicContact CG-CZ3 4.49Å
1071Q84.2Confident84Confident156 Ų15668.1 Ų68.173%0.72936%0.355SS*.Hα-helixtrans-68.4-37177.5-71.4173.120.300112.5D1067 E1068 L1069 T1073D1067-Q1071 VanDerWaalsContact O-CG 3.32Å; D1067-Q1071 WeakPolarHBondContact O-CG 3.29Å; D1067-Q1071 PolarHBondContact O-N 3.14Å; E1068-Q1071 PolarHBondContact O-N 2.9Å; L1069-Q1071 VanDerWaalsContact C-N 3.34Å; L1069-Q1071 PolarHBondContact O-N 2.77Å; Q1071-T1073 VanDerWaalsContact C-N 3.34Å
1072N83.9Confident84.7Confident56 Ų5675.9 Ų75.930%0.29938%0.38SS..Hα-helixtrans-86.2-4.1-179.8-70.6-23.5000113.8E1068 L1069 F1120 S1121E1068-N1072 WeakPolarHBondContact O-CB 3.5Å; E1068-N1072 PolarHBondContact O-N 2.93Å; L1069-N1072 PolarHBondContact O-N 2.86Å; N1072-F1120 HydrophobicContact CB-CB 4.34Å; N1072-S1121 PolarHBondContact ND2-N 2.96Å
1073T90.1Very high85.8Confident8 Ų872.4 Ų72.45%0.04936%0.364CS..EExtended strand (participates in β ladder)trans-77.1125.5176.5-62.60000110.4L1069 Q1071 Y1075 W1090 I1125 I1127L1069-T1073 PolarHBondContact O-N 3.35Å; L1069-T1073 PolarHBondContact O-OG1 3.29Å; Q1071-T1073 VanDerWaalsContact C-N 3.34Å; T1073-Y1075 HydrophobicContact CG2-CE1 3.93Å; T1073-Y1075 WeakPolarHBondContact O-CE2 3.28Å; T1073-W1090 HydrophobicContact CG2-CZ2 4.09Å; T1073-I1125 WeakPolarHBondContact CA-O 3.37Å; T1073-I1125 HydrophobicContact CG2-CG2 4.14Å; T1073-I1127 HydrophobicContact CG2-CD1 3.74Å; T1073-I1127 HydrophobicContact CG2-CG1 3.73Å
1074T91Very high86.8Confident63 Ų6371.2 Ų71.239%0.38735%0.35SS..EExtended strand (participates in β ladder)trans-96149173.361.80000110.5I1125 T1126 I1127T1074-I1125 PolarHBondContact N-O 3.35Å; T1074-I1125 PolarHBondContact OG1-O 3.1Å; T1074-T1126 CarbonylContact O-C 3.58Å; T1074-T1126 VanDerWaalsContact O-CA 3.32Å; T1074-T1126 WeakPolarHBondContact O-CA 3.22Å; T1074-T1126 PolarHBondContact OG1-OG1 2.85Å; T1074-I1127 PolarHBondContact O-N 2.63Å
1075Y93Very high87.6Confident47 Ų4770.6 Ų70.618%0.18435%0.346CS..EExtended strand (participates in β ladder)trans-120.1142.1-179-52-85.4000109.7T1073 Y1079 D1081 I1086 W1090 I1127T1073-Y1075 HydrophobicContact CG2-CE1 3.93Å; T1073-Y1075 WeakPolarHBondContact O-CE2 3.28Å; Y1075-Y1079 WeakPolarHBondContact CB-O 3.44Å; Y1075-D1081 HydrophobicContact CE2-CB 4.14Å; Y1075-I1086 HydrophobicContact CD1-CD1 3.83Å; Y1075-I1086 HydrophobicContact CD1-CG1 4.04Å; Y1075-I1086 HydrophobicContact CD1-CG2 4.2Å; Y1075-I1086 HydrophobicContact CE1-CB 4.37Å; Y1075-I1086 HydrophobicContact CE1-CD1 3.83Å; Y1075-I1086 HydrophobicContact CE1-CG1 4.04Å; Y1075-I1086 HydrophobicContact CE1-CG2 3.4Å; Y1075-I1086 VanDerWaalsContact CE1-CG2 3.4Å; Y1075-W1090 AromaticContact CZ-NE1 3.98Å; Y1075-W1090 PolarHBondContact OH-NE1 2.94Å; Y1075-I1127 WeakPolarHBondContact CA-O 3.46Å; Y1075-I1127 HydrophobicContact CD1-CB 4.04Å; Y1075-I1127 HydrophobicContact CE1-CB 4.37Å; Y1075-I1127 HydrophobicContact CE1-CD1 4.09Å
1076Q90.2Very high88.3Confident92 Ų9266.6 Ų66.643%0.4333%0.325SS..  trans-120.7160.1177.9-67.4-173.9-200111.4I1078 Y1079 T1126 I1127 Q1128 P1129Q1076-I1078 PolarHBondContact O-N 2.88Å; Q1076-Y1079 PolarHBondContact O-N 2.93Å; Q1076-T1126 HydrophobicContact CG-CG2 3.66Å; Q1076-I1127 PolarHBondContact N-O 2.89Å; Q1076-Q1128 HydrophobicContact CB-CB 4.03Å; Q1076-P1129 WeakPolarHBondContact O-CD 3.2Å
1077G88.1Confident88.8Confident74 Ų7467 Ų6776%0.76333%0.33SS*.THydrogen-bonded Turntrans65.8-128.6178.200000112.6Y1079G1077-Y1079 VanDerWaalsContact C-N 3.28Å
1078I87Confident89.4Confident74 Ų7464.9 Ų64.938%0.37931%0.314SS..THydrogen-bonded Turntrans-82.8-2.7-179.365.7146.1000113.6Q1076 W1080 H1083 P1129 Q1151Q1076-I1078 PolarHBondContact O-N 2.88Å; I1078-W1080 WeakPolarHBondContact O-CZ3 3.26Å; I1078-H1083 PolarHBondContact O-CD2 2.99Å; I1078-H1083 VanDerWaalsContact O-CD2 3.3Å; I1078-P1129 HydrophobicContact CG1-CB 3.95Å; I1078-P1129 HydrophobicContact CG1-CG 3.9Å; I1078-Q1151 HydrophobicContact CD1-CG 4.03Å
1079Y91.7Very high90.1Very high7 Ų762.8 Ų62.83%0.02730%0.304CS..  trans-89.3136.8178.8-68.2-26.7000110.9Y1075 Q1076 G1077 H1083 V1085 I1086 I1127 P1129 L1149 P1150 Q1151Y1075-Y1079 WeakPolarHBondContact CB-O 3.44Å; Q1076-Y1079 PolarHBondContact O-N 2.93Å; G1077-Y1079 VanDerWaalsContact C-N 3.28Å; Y1079-H1083 HydrophobicContact CD1-CB 4.48Å; Y1079-H1083 AromaticContact CD1-CE1 3.88Å; Y1079-H1083 AromaticContact CD1-CG 3.88Å; Y1079-H1083 AromaticContact CD1-ND1 3.61Å; Y1079-H1083 AromaticContact CE1-CE1 3.73Å; Y1079-H1083 AromaticContact CE1-ND1 3.76Å; Y1079-V1085 HydrophobicContact CE1-CB 4.19Å; Y1079-V1085 HydrophobicContact CE1-CG1 4.32Å; Y1079-I1086 HydrophobicContact CD1-CD1 4.27Å; Y1079-I1086 HydrophobicContact CD1-CG1 4.14Å; Y1079-I1086 HydrophobicContact CD2-CD1 3.93Å; Y1079-I1086 HydrophobicContact CE2-CD1 4.44Å; Y1079-I1086 HydrophobicContact CG-CD1 3.84Å; Y1079-I1086 HydrophobicContact CG-CG1 4Å; Y1079-I1127 HydrophobicContact CD2-CG2 4.03Å; Y1079-I1127 HydrophobicContact CE2-CG2 4.35Å; Y1079-P1129 HydrophobicContact CD2-CB 4.03Å; Y1079-P1129 HydrophobicContact CD2-CG 4.37Å; Y1079-P1129 HydrophobicContact CE1-CB 4.32Å; Y1079-P1129 HydrophobicContact CE2-CB 3.65Å; Y1079-P1129 HydrophobicContact CE2-CG 4.46Å; Y1079-L1149 HydrophobicContact CE2-CB 3.99Å; Y1079-L1149 HydrophobicContact CE2-CD2 4.43Å; Y1079-L1149 HydrophobicContact CE2-CG 4.48Å; Y1079-L1149 VanDerWaalsContact CE2-O 3.31Å; Y1079-L1149 WeakPolarHBondContact CE2-O 3.34Å; Y1079-L1149 PolarHBondContact OH-O 2.65Å; Y1079-P1150 PolarHBondContact OH-O 3.13Å; Y1079-Q1151 HydrophobicContact CE1-CG 4.12Å; Y1079-Q1151 WeakPolarHBondContact OH-CG 3.49Å; Y1079-Q1151 PolarHBondContact OH-N 2.88Å
1080W89.8Confident90.5Very high139 Ų13962.8 Ų62.853%0.52730%0.304SS..  trans-143169.5169.163.391.8000108.4I1078 R1082 H1083I1078-W1080 WeakPolarHBondContact O-CZ3 3.26Å; W1080-R1082 VanDerWaalsContact CD1-N 3.33Å; W1080-R1082 PolarHBondContact O-N 3.36Å; W1080-H1083 HydrophobicContact CD2-CB 4.09Å; W1080-H1083 HydrophobicContact CE3-CB 4.44Å; W1080-H1083 HydrophobicContact CG-CB 4.4Å; W1080-H1083 AromaticContact CH2-CD2 3.78Å; W1080-H1083 HydrophobicContact CZ2-CB 4.47Å; W1080-H1083 AromaticContact CZ3-CD2 3.83Å; W1080-H1083 VanDerWaalsContact O-CB 3.32Å; W1080-H1083 WeakPolarHBondContact O-CB 3.36Å; W1080-H1083 PolarHBondContact O-N 3.27Å
1081D87.9Confident90.8Very high85 Ų8561.1 Ų61.146%0.45530%0.301SS..THydrogen-bonded Turntrans-51-29-174.968.5-33000115.5Y1075Y1075-D1081 HydrophobicContact CE2-CB 4.14Å
1082R89.6Confident91.2Very high191 Ų19153.7 Ų53.772%0.72127%0.266SS*.THydrogen-bonded Turntrans-106.46.1180-59.3178.6-171.5-168.8-1.2114.4W1080 I1087W1080-R1082 VanDerWaalsContact CD1-N 3.33Å; W1080-R1082 PolarHBondContact O-N 3.36Å; R1082-I1087 WeakPolarHBondContact O-CD1 3.27Å
1083H92.4Very high91.6Very high31 Ų3151 Ų5114%0.14425%0.252CS..  trans-64.5138.4176.4-173.4-83.8000109.9I1078 Y1079 W1080 V1085 I1086 I1087I1078-H1083 PolarHBondContact O-CD2 2.99Å; I1078-H1083 VanDerWaalsContact O-CD2 3.3Å; Y1079-H1083 HydrophobicContact CD1-CB 4.48Å; Y1079-H1083 AromaticContact CD1-CE1 3.88Å; Y1079-H1083 AromaticContact CD1-CG 3.88Å; Y1079-H1083 AromaticContact CD1-ND1 3.61Å; Y1079-H1083 AromaticContact CE1-CE1 3.73Å; Y1079-H1083 AromaticContact CE1-ND1 3.76Å; W1080-H1083 HydrophobicContact CD2-CB 4.09Å; W1080-H1083 HydrophobicContact CE3-CB 4.44Å; W1080-H1083 HydrophobicContact CG-CB 4.4Å; W1080-H1083 AromaticContact CH2-CD2 3.78Å; W1080-H1083 HydrophobicContact CZ2-CB 4.47Å; W1080-H1083 AromaticContact CZ3-CD2 3.83Å; W1080-H1083 VanDerWaalsContact O-CB 3.32Å; W1080-H1083 WeakPolarHBondContact O-CB 3.36Å; W1080-H1083 PolarHBondContact O-N 3.27Å; H1083-V1085 VanDerWaalsContact C-N 3.33Å; H1083-V1085 PolarHBondContact ND1-N 3.46Å; H1083-V1085 PolarHBondContact O-N 3.28Å; H1083-I1086 HydrophobicContact CB-CB 4.26Å; H1083-I1086 HydrophobicContact CB-CG1 4Å; H1083-I1086 WeakPolarHBondContact O-CA 3.29Å; H1083-I1086 WeakPolarHBondContact O-CB 3.46Å; H1083-I1086 PolarHBondContact O-N 3.02Å; H1083-I1087 PolarHBondContact O-N 2.97Å
1084Q91.9Very high91.6Very high99 Ų9951.7 Ų51.746%0.46326%0.255SS..Hα-helixtrans-57.7-42.7-170.6-172.661.16700113.3I1086 I1087 W1088Q1084-I1086 VanDerWaalsContact C-N 3.29Å; Q1084-I1086 PolarHBondContact O-N 3.37Å; Q1084-I1087 PolarHBondContact O-N 2.94Å; Q1084-W1088 HydrophobicContact CG-CD2 4.13Å; Q1084-W1088 HydrophobicContact CG-CE3 4.45Å; Q1084-W1088 HydrophobicContact CG-CH2 3.81Å; Q1084-W1088 HydrophobicContact CG-CZ2 3.44Å; Q1084-W1088 VanDerWaalsContact CG-CZ2 3.44Å; Q1084-W1088 HydrophobicContact CG-CZ3 4.3Å; Q1084-W1088 PolarHBondContact O-N 3.23Å
1085V92.9Very high91.6Very high8 Ų856.6 Ų56.65%0.04827%0.268CS..Hα-helixtrans-63-35.2175.6177.80000111.9Y1079 H1083 W1088 F1089 L1149 L1158Y1079-V1085 HydrophobicContact CE1-CB 4.19Å; Y1079-V1085 HydrophobicContact CE1-CG1 4.32Å; H1083-V1085 VanDerWaalsContact C-N 3.33Å; H1083-V1085 PolarHBondContact ND1-N 3.46Å; H1083-V1085 PolarHBondContact O-N 3.28Å; V1085-W1088 HydrophobicContact CG2-CE3 4.36Å; V1085-W1088 HydrophobicContact CG2-CZ3 4.37Å; V1085-W1088 PolarHBondContact O-N 2.92Å; V1085-F1089 WeakPolarHBondContact O-CB 3.3Å; V1085-F1089 PolarHBondContact O-N 2.99Å; V1085-L1149 HydrophobicContact CG1-CD2 3.94Å; V1085-L1149 HydrophobicContact CG1-CG 4.36Å; V1085-L1158 HydrophobicContact CG1-CD1 3.98Å
1086I93.7Very high91.4Very high0 Ų058 Ų580%028%0.279CS..Hα-helixtrans-71.7-40.5177.5-64.1-55.8000110.7Y1075 Y1079 H1083 Q1084 W1088 F1089 W1090 I1127 L1149Y1075-I1086 HydrophobicContact CD1-CD1 3.83Å; Y1075-I1086 HydrophobicContact CD1-CG1 4.04Å; Y1075-I1086 HydrophobicContact CD1-CG2 4.2Å; Y1075-I1086 HydrophobicContact CE1-CB 4.37Å; Y1075-I1086 HydrophobicContact CE1-CD1 3.83Å; Y1075-I1086 HydrophobicContact CE1-CG1 4.04Å; Y1075-I1086 HydrophobicContact CE1-CG2 3.4Å; Y1075-I1086 VanDerWaalsContact CE1-CG2 3.4Å; Y1079-I1086 HydrophobicContact CD1-CD1 4.27Å; Y1079-I1086 HydrophobicContact CD1-CG1 4.14Å; Y1079-I1086 HydrophobicContact CD2-CD1 3.93Å; Y1079-I1086 HydrophobicContact CE2-CD1 4.44Å; Y1079-I1086 HydrophobicContact CG-CD1 3.84Å; Y1079-I1086 HydrophobicContact CG-CG1 4Å; H1083-I1086 HydrophobicContact CB-CB 4.26Å; H1083-I1086 HydrophobicContact CB-CG1 4Å; H1083-I1086 WeakPolarHBondContact O-CA 3.29Å; H1083-I1086 WeakPolarHBondContact O-CB 3.46Å; H1083-I1086 PolarHBondContact O-N 3.02Å; Q1084-I1086 VanDerWaalsContact C-N 3.29Å; Q1084-I1086 PolarHBondContact O-N 3.37Å; I1086-W1088 VanDerWaalsContact C-N 3.34Å; I1086-F1089 PolarHBondContact O-N 3.03Å; I1086-W1090 PolarHBondContact O-N 2.85Å; I1086-I1127 HydrophobicContact CD1-CG2 3.88Å; I1086-L1149 HydrophobicContact CD1-CD2 4.06Å
1087I93.1Very high91.5Very high50 Ų5054.4 Ų54.426%0.25626%0.262SS..Hα-helixtrans-58.8-48.7172.7-65.3170.8000109.7R1082 H1083 Q1084 F1089 W1090 D1091R1082-I1087 WeakPolarHBondContact O-CD1 3.27Å; H1083-I1087 PolarHBondContact O-N 2.97Å; Q1084-I1087 PolarHBondContact O-N 2.94Å; I1087-F1089 PolarHBondContact O-N 3.35Å; I1087-W1090 PolarHBondContact O-N 3.46Å; I1087-D1091 WeakPolarHBondContact O-CB 3.39Å; I1087-D1091 VanDerWaalsContact O-CG 3.25Å; I1087-D1091 PolarHBondContact O-N 3.01Å
1088W95.1Very high91.5Very high53 Ų5354.5 Ų54.520%0.20125%0.248CC..Hα-helixtrans-61.4-41.8176.3-66.8-23.6000113Q1084 V1085 I1086 D1091 V1092 Y1152 S1153 K1155 L1158Q1084-W1088 HydrophobicContact CG-CD2 4.13Å; Q1084-W1088 HydrophobicContact CG-CE3 4.45Å; Q1084-W1088 HydrophobicContact CG-CH2 3.81Å; Q1084-W1088 HydrophobicContact CG-CZ2 3.44Å; Q1084-W1088 VanDerWaalsContact CG-CZ2 3.44Å; Q1084-W1088 HydrophobicContact CG-CZ3 4.3Å; Q1084-W1088 PolarHBondContact O-N 3.23Å; V1085-W1088 HydrophobicContact CG2-CE3 4.36Å; V1085-W1088 HydrophobicContact CG2-CZ3 4.37Å; V1085-W1088 PolarHBondContact O-N 2.92Å; I1086-W1088 VanDerWaalsContact C-N 3.34Å; W1088-D1091 PolarHBondContact O-N 3.5Å; W1088-V1092 WeakPolarHBondContact O-CB 3.07Å; W1088-V1092 VanDerWaalsContact O-CG2 3.26Å; W1088-V1092 WeakPolarHBondContact O-CG2 3.24Å; W1088-V1092 PolarHBondContact O-N 2.84Å; W1088-Y1152 WeakPolarHBondContact CZ3-O 3.06Å; W1088-S1153 WeakPolarHBondContact CH2-O 3.4Å; W1088-K1155 HydrophobicContact CB-CB 4.35Å; W1088-K1155 HydrophobicContact CB-CG 4.15Å; W1088-K1155 HydrophobicContact CD2-CB 4.17Å; W1088-K1155 HydrophobicContact CG-CB 3.91Å; W1088-K1155 HydrophobicContact CG-CG 4.15Å; W1088-L1158 HydrophobicContact CB-CD1 3.99Å
1089F94.4Very high91.4Very high2 Ų257.2 Ų57.21%0.00926%0.261CS..Hα-helixtrans-57.2-49.7176.2166.8-96.7000111.6V1085 I1086 I1087 V1092 L1093 F1105 I1127 L1147 L1149 L1158 L1162V1085-F1089 WeakPolarHBondContact O-CB 3.3Å; V1085-F1089 PolarHBondContact O-N 2.99Å; I1086-F1089 PolarHBondContact O-N 3.03Å; I1087-F1089 PolarHBondContact O-N 3.35Å; F1089-V1092 PolarHBondContact O-N 2.8Å; F1089-L1093 HydrophobicContact CE1-CD2 4.21Å; F1089-L1093 HydrophobicContact CZ-CD2 3.96Å; F1089-L1093 WeakPolarHBondContact O-CB 3.44Å; F1089-L1093 PolarHBondContact O-N 2.8Å; F1089-F1105 AromaticContact CE2-CE2 3.97Å; F1089-F1105 HydrophobicContact CE2-CE2 3.97Å; F1089-F1105 HydrophobicContact CE2-CZ 4.02Å; F1089-F1105 HydrophobicContact CZ-CE1 4.32Å; F1089-F1105 HydrophobicContact CZ-CE2 4.04Å; F1089-F1105 AromaticContact CZ-CZ 3.6Å; F1089-F1105 HydrophobicContact CZ-CZ 3.6Å; F1089-I1127 HydrophobicContact CD1-CD1 3.94Å; F1089-I1127 HydrophobicContact CE1-CD1 3.56Å; F1089-I1127 HydrophobicContact CZ-CD1 4.05Å; F1089-L1147 HydrophobicContact CE2-CD2 3.75Å; F1089-L1147 HydrophobicContact CZ-CD2 3.97Å; F1089-L1149 HydrophobicContact CB-CD2 3.97Å; F1089-L1149 HydrophobicContact CD2-CD1 4.3Å; F1089-L1149 HydrophobicContact CD2-CD2 4.15Å; F1089-L1149 HydrophobicContact CG-CD2 4.12Å; F1089-L1158 HydrophobicContact CB-CD1 4.17Å; F1089-L1158 HydrophobicContact CB-CD2 4.46Å; F1089-L1162 HydrophobicContact CD2-CD2 4.01Å; F1089-L1162 HydrophobicContact CE2-CD1 4.38Å; F1089-L1162 HydrophobicContact CE2-CD2 3.99Å
1090W93.7Very high91.1Very high3 Ų363.6 Ų63.61%0.01129%0.292CS..Hα-helixtrans-67.4-37.9177-72.4114.5000112.2L1069 R1070 T1073 Y1075 I1086 I1087 V1092 L1093 L1094L1069-W1090 HydrophobicContact CD2-CH2 4.25Å; L1069-W1090 HydrophobicContact CD2-CZ3 4.23Å; L1069-W1090 HydrophobicContact CG-CH2 3.97Å; L1069-W1090 HydrophobicContact CG-CZ3 4.3Å; R1070-W1090 VanDerWaalsContact CA-CH2 3.5Å; R1070-W1090 HydrophobicContact CB-CD2 4.03Å; R1070-W1090 HydrophobicContact CB-CE3 3.95Å; R1070-W1090 HydrophobicContact CB-CH2 3.85Å; R1070-W1090 HydrophobicContact CB-CZ2 3.9Å; R1070-W1090 HydrophobicContact CB-CZ3 3.85Å; R1070-W1090 HydrophobicContact CG-CD2 3.77Å; R1070-W1090 HydrophobicContact CG-CE3 4.2Å; R1070-W1090 HydrophobicContact CG-CG 4.17Å; R1070-W1090 HydrophobicContact CG-CH2 4.42Å; R1070-W1090 HydrophobicContact CG-CZ2 3.98Å; R1070-W1090 HydrophobicContact CG-CZ3 4.49Å; T1073-W1090 HydrophobicContact CG2-CZ2 4.09Å; Y1075-W1090 AromaticContact CZ-NE1 3.98Å; Y1075-W1090 PolarHBondContact OH-NE1 2.94Å; I1086-W1090 PolarHBondContact O-N 2.85Å; I1087-W1090 PolarHBondContact O-N 3.46Å; W1090-V1092 VanDerWaalsContact C-N 3.34Å; W1090-V1092 PolarHBondContact O-N 3.39Å; W1090-L1093 HydrophobicContact CE3-CD2 4.05Å; W1090-L1093 HydrophobicContact CZ3-CD2 3.73Å; W1090-L1093 PolarHBondContact O-N 3.48Å; W1090-L1094 HydrophobicContact CB-CD1 4.36Å; W1090-L1094 HydrophobicContact CE3-CG 4.41Å; W1090-L1094 WeakPolarHBondContact O-CB 3.36Å; W1090-L1094 WeakPolarHBondContact O-CG 3.46Å; W1090-L1094 PolarHBondContact O-N 2.86Å
1091D93.3Very high91Very high45 Ų4558.9 Ų58.924%0.24128%0.276CS..Hα-helixtrans-61.9-44.4176.7-75-11.8000111.2I1087 W1088 Y1095 D1096I1087-D1091 WeakPolarHBondContact O-CB 3.39Å; I1087-D1091 VanDerWaalsContact O-CG 3.25Å; I1087-D1091 PolarHBondContact O-N 3.01Å; W1088-D1091 PolarHBondContact O-N 3.5Å; D1091-Y1095 HydrophobicContact CB-CD2 4.2Å; D1091-Y1095 WeakPolarHBondContact O-CA 3.42Å; D1091-Y1095 VanDerWaalsContact O-CB 3.32Å; D1091-Y1095 WeakPolarHBondContact O-CB 3.15Å; D1091-Y1095 WeakPolarHBondContact O-CD2 3.26Å; D1091-Y1095 PolarHBondContact O-N 3.1Å; D1091-D1096 PolarHBondContact O-N 3.18Å
1092V93.2Very high91.1Very high0 Ų056.3 Ų56.30%026%0.26CS..Iπ-helixtrans-62.6-51.2175.6169.30000110.4W1088 F1089 W1090 L1094 D1096 F1097 K1155 L1158 A1159 L1162W1088-V1092 WeakPolarHBondContact O-CB 3.07Å; W1088-V1092 VanDerWaalsContact O-CG2 3.26Å; W1088-V1092 WeakPolarHBondContact O-CG2 3.24Å; W1088-V1092 PolarHBondContact O-N 2.84Å; F1089-V1092 PolarHBondContact O-N 2.8Å; W1090-V1092 VanDerWaalsContact C-N 3.34Å; W1090-V1092 PolarHBondContact O-N 3.39Å; V1092-L1094 PolarHBondContact O-N 3.19Å; V1092-D1096 HydrophobicContact CG1-CB 4.42Å; V1092-D1096 WeakPolarHBondContact CG2-OD2 3.44Å; V1092-D1096 CarbonylContact O-C 3.48Å; V1092-D1096 WeakPolarHBondContact O-CA 3.05Å; V1092-D1096 WeakPolarHBondContact O-CB 3.49Å; V1092-D1096 PolarHBondContact O-N 3.18Å; V1092-F1097 HydrophobicContact CG1-CD1 3.79Å; V1092-F1097 HydrophobicContact CG1-CE1 3.44Å; V1092-F1097 VanDerWaalsContact CG1-CE1 3.44Å; V1092-F1097 HydrophobicContact CG1-CZ 3.93Å; V1092-F1097 PolarHBondContact O-N 2.81Å; V1092-K1155 HydrophobicContact CG2-CG 3.95Å; V1092-L1158 HydrophobicContact CB-CD2 4.08Å; V1092-L1158 HydrophobicContact CG1-CD2 4.33Å; V1092-L1158 HydrophobicContact CG2-CD2 3.86Å; V1092-A1159 HydrophobicContact CG1-CB 4.03Å; V1092-A1159 HydrophobicContact CG2-CB 3.73Å; V1092-L1162 HydrophobicContact CG1-CD2 4.09Å
1093L91.4Very high90.8Very high0 Ų050 Ų500%024%0.238CC..Iπ-helixtrans-65.5-39.4-176.8-178.760.7000112.3W1066 F1089 W1090 F1097 K1102 F1105W1066-L1093 HydrophobicContact CE3-CD2 4.12Å; W1066-L1093 HydrophobicContact CE3-CG 4.22Å; W1066-L1093 HydrophobicContact CZ3-CD1 4.07Å; W1066-L1093 HydrophobicContact CZ3-CD2 4.06Å; W1066-L1093 HydrophobicContact CZ3-CG 4.22Å; F1089-L1093 HydrophobicContact CE1-CD2 4.21Å; F1089-L1093 HydrophobicContact CZ-CD2 3.96Å; F1089-L1093 WeakPolarHBondContact O-CB 3.44Å; F1089-L1093 PolarHBondContact O-N 2.8Å; W1090-L1093 HydrophobicContact CE3-CD2 4.05Å; W1090-L1093 HydrophobicContact CZ3-CD2 3.73Å; W1090-L1093 PolarHBondContact O-N 3.48Å; L1093-F1097 HydrophobicContact CD1-CD2 3.71Å; L1093-F1097 HydrophobicContact CD1-CE2 4.27Å; L1093-K1102 HydrophobicContact CD1-CG 4.12Å; L1093-K1102 WeakPolarHBondContact O-CE 3.2Å; L1093-F1105 HydrophobicContact CD1-CB 4.13Å; L1093-F1105 HydrophobicContact CD1-CD1 3.69Å; L1093-F1105 HydrophobicContact CD1-CE1 4.33Å; L1093-F1105 HydrophobicContact CD1-CG 3.88Å; L1093-F1105 HydrophobicContact CD2-CD1 3.91Å; L1093-F1105 HydrophobicContact CD2-CE1 3.7Å; L1093-F1105 HydrophobicContact CD2-CZ 4.32Å; L1093-F1105 HydrophobicContact CG-CD1 4.49Å
1094L89.5Confident90.5Very high22 Ų2252.7 Ų52.712%0.11525%0.249CC..Iπ-helixtrans-83.7-41.7-175.3-65.7175.7000112.8W1066 W1090 V1092 K1102W1066-L1094 HydrophobicContact CB-CD2 3.32Å; W1066-L1094 HydrophobicContact CG-CD2 4.09Å; W1090-L1094 HydrophobicContact CB-CD1 4.36Å; W1090-L1094 HydrophobicContact CE3-CG 4.41Å; W1090-L1094 WeakPolarHBondContact O-CB 3.36Å; W1090-L1094 WeakPolarHBondContact O-CG 3.46Å; W1090-L1094 PolarHBondContact O-N 2.86Å; V1092-L1094 PolarHBondContact O-N 3.19Å; L1094-K1102 PolarHBondContact O-NZ 2.98Å
1095Y90.9Very high90.4Very high166 Ų16648.1 Ų48.165%0.65123%0.228SC*.Iπ-helixtrans-110.3-33.6-169.2-51.6-63.2000114.1D1091D1091-Y1095 HydrophobicContact CB-CD2 4.2Å; D1091-Y1095 WeakPolarHBondContact O-CA 3.42Å; D1091-Y1095 VanDerWaalsContact O-CB 3.32Å; D1091-Y1095 WeakPolarHBondContact O-CB 3.15Å; D1091-Y1095 WeakPolarHBondContact O-CD2 3.26Å; D1091-Y1095 PolarHBondContact O-N 3.1Å
1096D89.5Confident90Very high78 Ų7847.8 Ų47.842%0.41723%0.226SC..Iπ-helixtrans-90.6-32.1-176.4-54.8-10.9000112D1091 V1092 K1155D1091-D1096 PolarHBondContact O-N 3.18Å; V1092-D1096 HydrophobicContact CG1-CB 4.42Å; V1092-D1096 WeakPolarHBondContact CG2-OD2 3.44Å; V1092-D1096 CarbonylContact O-C 3.48Å; V1092-D1096 WeakPolarHBondContact O-CA 3.05Å; V1092-D1096 WeakPolarHBondContact O-CB 3.49Å; V1092-D1096 PolarHBondContact O-N 3.18Å; D1096-K1155 IonicContact OD1-NZ 3.97Å; D1096-K1155 PolarHBondContact OD1-NZ 3.13Å; D1096-K1155 WeakPolarHBondContact OD2-CE 3.32Å; D1096-K1155 IonicContact OD2-NZ 2.79Å; D1096-K1155 PolarHBondContact OD2-NZ 2.84Å
1097F91.8Very high89.4Confident15 Ų1550.9 Ų50.97%0.06624%0.238CC..SBendtrans-80.4135.3-179.5-79.39.6000113.5V1092 L1093 E1101 K1102 L1162 I1166V1092-F1097 HydrophobicContact CG1-CD1 3.79Å; V1092-F1097 HydrophobicContact CG1-CE1 3.44Å; V1092-F1097 VanDerWaalsContact CG1-CE1 3.44Å; V1092-F1097 HydrophobicContact CG1-CZ 3.93Å; V1092-F1097 PolarHBondContact O-N 2.81Å; L1093-F1097 HydrophobicContact CD1-CD2 3.71Å; L1093-F1097 HydrophobicContact CD1-CE2 4.27Å; F1097-E1101 HydrophobicContact CB-CB 3.95Å; F1097-E1101 HydrophobicContact CD1-CB 4.47Å; F1097-E1101 HydrophobicContact CD2-CB 3.97Å; F1097-E1101 HydrophobicContact CG-CB 3.9Å; F1097-K1102 HydrophobicContact CB-CG 4.09Å; F1097-K1102 WeakPolarHBondContact O-CE 3.13Å; F1097-L1162 HydrophobicContact CE2-CD2 3.75Å; F1097-L1162 HydrophobicContact CE2-CG 3.94Å; F1097-L1162 HydrophobicContact CZ-CB 4.07Å; F1097-L1162 HydrophobicContact CZ-CD2 3.61Å; F1097-L1162 HydrophobicContact CZ-CG 3.63Å; F1097-I1166 HydrophobicContact CD2-CD1 4.19Å; F1097-I1166 HydrophobicContact CE2-CD1 3.57Å; F1097-I1166 HydrophobicContact CZ-CD1 3.84Å
1098T89.4Confident89Confident77 Ų7749.7 Ų49.747%0.47223%0.23SC..  trans-65.6166.1167.661.60000111.9E1100 E1101 K1102T1098-E1100 PolarHBondContact O-N 2.89Å; T1098-E1101 WeakPolarHBondContact CB-OE2 3.29Å; T1098-E1101 WeakPolarHBondContact CG2-OE2 3.06Å; T1098-E1101 PolarHBondContact N-OE2 3.33Å; T1098-E1101 PolarHBondContact O-N 2.9Å; T1098-E1101 WeakPolarHBondContact OG1-CG 3.38Å; T1098-E1101 PolarHBondContact OG1-N 3.16Å; T1098-E1101 PolarHBondContact OG1-OE2 2.86Å; T1098-K1102 WeakPolarHBondContact O-CB 3.29Å; T1098-K1102 WeakPolarHBondContact O-CG 3.29Å; T1098-K1102 PolarHBondContact O-N 3.5Å
1099I84.5Confident88.5Confident130 Ų13047.2 Ų47.267%0.66722%0.221SC*.Hα-helixtrans-59.2-36.6176.1-64.8169.7000111.2K1102 K1103I1099-K1102 WeakPolarHBondContact O-CB 3.48Å; I1099-K1103 WeakPolarHBondContact O-CG 3.2Å; I1099-K1103 PolarHBondContact O-N 2.91Å
1100E85.1Confident87.6Confident142 Ų14247.6 Ų47.666%0.66422%0.224SC*.Hα-helixtrans-69.4-41.8177.8-66.2-177.6-176.600112.4T1098 K1102 K1103 K1104T1098-E1100 PolarHBondContact O-N 2.89Å; E1100-K1102 VanDerWaalsContact C-N 3.33Å; E1100-K1103 WeakPolarHBondContact O-CB 3.49Å; E1100-K1103 PolarHBondContact O-N 2.82Å; E1100-K1104 WeakPolarHBondContact O-CG 3.43Å; E1100-K1104 PolarHBondContact O-N 3.38Å
1101E88.7Confident86.7Confident40 Ų4047.8 Ų47.819%0.18723%0.226CC..Hα-helixtrans-65.9-38175.7-72.8168.3128.200111.8F1097 T1098 K1104 F1105 I1166F1097-E1101 HydrophobicContact CB-CB 3.95Å; F1097-E1101 HydrophobicContact CD1-CB 4.47Å; F1097-E1101 HydrophobicContact CD2-CB 3.97Å; F1097-E1101 HydrophobicContact CG-CB 3.9Å; T1098-E1101 WeakPolarHBondContact CB-OE2 3.29Å; T1098-E1101 WeakPolarHBondContact CG2-OE2 3.06Å; T1098-E1101 PolarHBondContact N-OE2 3.33Å; T1098-E1101 PolarHBondContact O-N 2.9Å; T1098-E1101 WeakPolarHBondContact OG1-CG 3.38Å; T1098-E1101 PolarHBondContact OG1-N 3.16Å; T1098-E1101 PolarHBondContact OG1-OE2 2.86Å; E1101-K1104 PolarHBondContact O-N 3.42Å; E1101-F1105 WeakPolarHBondContact O-CB 3.44Å; E1101-F1105 PolarHBondContact O-N 3.11Å; E1101-I1166 HydrophobicContact CB-CD1 3.82Å; E1101-I1166 HydrophobicContact CG-CD1 4.15Å; E1101-I1166 WeakPolarHBondContact O-CD1 3.34Å
1102K88.1Confident85.7Confident31 Ų3146.7 Ų46.714%0.13522%0.222CC..Hα-helixtrans-58.1-45.3170.4-84.7171.4-178.7171.90112.2W1066 L1093 L1094 F1097 T1098 I1099 E1100 F1105 L1106W1066-K1102 HydrophobicContact CD2-CD 4.38Å; W1066-K1102 HydrophobicContact CH2-CB 3.65Å; W1066-K1102 HydrophobicContact CH2-CG 4.01Å; W1066-K1102 WeakPolarHBondContact CH2-O 3.42Å; W1066-K1102 HydrophobicContact CZ2-CB 3.44Å; W1066-K1102 VanDerWaalsContact CZ2-CB 3.44Å; W1066-K1102 HydrophobicContact CZ2-CD 4.02Å; W1066-K1102 HydrophobicContact CZ2-CG 3.83Å; W1066-K1102 HydrophobicContact CZ3-CG 4.44Å; L1093-K1102 HydrophobicContact CD1-CG 4.12Å; L1093-K1102 WeakPolarHBondContact O-CE 3.2Å; L1094-K1102 PolarHBondContact O-NZ 2.98Å; F1097-K1102 HydrophobicContact CB-CG 4.09Å; F1097-K1102 WeakPolarHBondContact O-CE 3.13Å; T1098-K1102 WeakPolarHBondContact O-CB 3.29Å; T1098-K1102 WeakPolarHBondContact O-CG 3.29Å; T1098-K1102 PolarHBondContact O-N 3.5Å; I1099-K1102 WeakPolarHBondContact O-CB 3.48Å; E1100-K1102 VanDerWaalsContact C-N 3.33Å; K1102-F1105 WeakPolarHBondContact O-CB 3.49Å; K1102-F1105 PolarHBondContact O-N 3.01Å; K1102-L1106 PolarHBondContact O-N 2.8Å
1103K84Confident84.7Confident57 Ų5748.1 Ų48.125%0.24823%0.23CC..Hα-helixtrans-62.9-43.6173.9-77.2-175.3174.6-170.10111.9E1062 I1099 E1100 F1105 L1106 R1107 D1113E1062-K1103 IonicContact OE1-NZ 3.85Å; E1062-K1103 IonicContact OE2-NZ 3.01Å; E1062-K1103 PolarHBondContact OE2-NZ 3.19Å; I1099-K1103 WeakPolarHBondContact O-CG 3.2Å; I1099-K1103 PolarHBondContact O-N 2.91Å; E1100-K1103 WeakPolarHBondContact O-CB 3.49Å; E1100-K1103 PolarHBondContact O-N 2.82Å; K1103-F1105 VanDerWaalsContact C-N 3.33Å; K1103-F1105 PolarHBondContact O-N 2.88Å; K1103-L1106 PolarHBondContact O-N 3.02Å; K1103-R1107 WeakPolarHBondContact O-CB 2.99Å; K1103-R1107 PolarHBondContact O-N 3.44Å; K1103-D1113 HydrophobicContact CB-CB 4.17Å
1104K87.1Confident83.8Confident89 Ų8951.1 Ų51.139%0.38724%0.241SC..Hα-helixtrans-62.7-37.7174.7-72.5177.1-179.3175.50112.5E1100 E1101 R1107 F1108 I1166E1100-K1104 WeakPolarHBondContact O-CG 3.43Å; E1100-K1104 PolarHBondContact O-N 3.38Å; E1101-K1104 PolarHBondContact O-N 3.42Å; K1104-R1107 WeakPolarHBondContact O-CB 3.42Å; K1104-R1107 PolarHBondContact O-N 2.97Å; K1104-F1108 WeakPolarHBondContact O-CB 3.49Å; K1104-F1108 PolarHBondContact O-N 3Å; K1104-I1166 HydrophobicContact CB-CB 4.14Å; K1104-I1166 HydrophobicContact CB-CD1 4.36Å; K1104-I1166 HydrophobicContact CB-CG1 4.49Å
1105F89Confident83.1Confident2 Ų250.3 Ų50.31%0.00924%0.237CC..Hα-helixtrans-63.7-45.3174.1173-100.3000111.7W1066 F1089 L1093 E1101 K1102 K1103 R1107 F1108 L1109 L1147 L1162 I1166W1066-F1105 HydrophobicContact CZ3-CD1 4.35Å; F1089-F1105 AromaticContact CE2-CE2 3.97Å; F1089-F1105 HydrophobicContact CE2-CE2 3.97Å; F1089-F1105 HydrophobicContact CE2-CZ 4.02Å; F1089-F1105 HydrophobicContact CZ-CE1 4.32Å; F1089-F1105 HydrophobicContact CZ-CE2 4.04Å; F1089-F1105 AromaticContact CZ-CZ 3.6Å; F1089-F1105 HydrophobicContact CZ-CZ 3.6Å; L1093-F1105 HydrophobicContact CD1-CB 4.13Å; L1093-F1105 HydrophobicContact CD1-CD1 3.69Å; L1093-F1105 HydrophobicContact CD1-CE1 4.33Å; L1093-F1105 HydrophobicContact CD1-CG 3.88Å; L1093-F1105 HydrophobicContact CD2-CD1 3.91Å; L1093-F1105 HydrophobicContact CD2-CE1 3.7Å; L1093-F1105 HydrophobicContact CD2-CZ 4.32Å; L1093-F1105 HydrophobicContact CG-CD1 4.49Å; E1101-F1105 WeakPolarHBondContact O-CB 3.44Å; E1101-F1105 PolarHBondContact O-N 3.11Å; K1102-F1105 WeakPolarHBondContact O-CB 3.49Å; K1102-F1105 PolarHBondContact O-N 3.01Å; K1103-F1105 VanDerWaalsContact C-N 3.33Å; K1103-F1105 PolarHBondContact O-N 2.88Å; F1105-R1107 VanDerWaalsContact C-N 3.28Å; F1105-R1107 PolarHBondContact O-N 3.13Å; F1105-F1108 HydrophobicContact CD2-CD1 4.41Å; F1105-F1108 WeakPolarHBondContact O-CB 3.41Å; F1105-F1108 PolarHBondContact O-N 3.06Å; F1105-L1109 HydrophobicContact CE1-CD2 4.02Å; F1105-L1109 HydrophobicContact CZ-CB 4.46Å; F1105-L1109 HydrophobicContact CZ-CD2 3.83Å; F1105-L1109 WeakPolarHBondContact O-CB 3.34Å; F1105-L1109 PolarHBondContact O-N 2.85Å; F1105-L1147 HydrophobicContact CE2-CD2 4.18Å; F1105-L1147 HydrophobicContact CZ-CD2 4.26Å; F1105-L1162 HydrophobicContact CD2-CD1 4.19Å; F1105-L1162 HydrophobicContact CE2-CD1 4.2Å; F1105-I1166 HydrophobicContact CB-CG2 3.98Å; F1105-I1166 HydrophobicContact CD2-CG2 4.03Å
1106L84.4Confident82.2Confident1 Ų143.6 Ų43.61%0.00521%0.214CC..Hα-helixtrans-61.5-40.6176.8-170.566.4000111.2V1064 K1102 K1103 L1109 T1110 C1112 V1115 F1120V1064-L1106 HydrophobicContact CG2-CD2 4.2Å; K1102-L1106 PolarHBondContact O-N 2.8Å; K1103-L1106 PolarHBondContact O-N 3.02Å; L1106-L1109 PolarHBondContact O-N 3.37Å; L1106-T1110 HydrophobicContact CD1-CG2 3.8Å; L1106-T1110 WeakPolarHBondContact O-CB 3.27Å; L1106-T1110 PolarHBondContact O-N 3.49Å; L1106-T1110 PolarHBondContact O-OG1 2.81Å; L1106-C1112 CarbonylContact C-O 3.55Å; L1106-C1112 WeakPolarHBondContact CG-O 3.37Å; L1106-C1112 VanDerWaalsContact O-O 3.11Å; L1106-V1115 HydrophobicContact CD1-CG1 4.16Å; L1106-V1115 HydrophobicContact CD2-CG1 3.49Å; L1106-V1115 VanDerWaalsContact CD2-CG1 3.49Å; L1106-V1115 HydrophobicContact CG-CG1 4.45Å; L1106-F1120 HydrophobicContact CD1-CE1 4.05Å; L1106-F1120 HydrophobicContact CD1-CZ 3.88Å
1107R80.8Confident81.1Confident66 Ų6641.4 Ų41.425%0.24920%0.202CC..Hα-helixtrans-62.1-44.8174.2-175.9-178.6-78.5-144.61.7112.3K1103 K1104 F1105 L1109 G1111 C1112 D1113K1103-R1107 WeakPolarHBondContact O-CB 2.99Å; K1103-R1107 PolarHBondContact O-N 3.44Å; K1104-R1107 WeakPolarHBondContact O-CB 3.42Å; K1104-R1107 PolarHBondContact O-N 2.97Å; F1105-R1107 VanDerWaalsContact C-N 3.28Å; F1105-R1107 PolarHBondContact O-N 3.13Å; R1107-L1109 VanDerWaalsContact C-N 3.34Å; R1107-L1109 PolarHBondContact O-N 3.34Å; R1107-G1111 WeakPolarHBondContact O-CA 3.44Å; R1107-G1111 PolarHBondContact O-N 3.39Å; R1107-C1112 VanDerWaalsContact CA-O 3.23Å; R1107-C1112 WeakPolarHBondContact CA-O 3.14Å; R1107-C1112 PolarHBondContact N-O 2.98Å; R1107-C1112 VanDerWaalsContact N-O 3.11Å; R1107-D1113 HydrophobicContact CB-CB 4.24Å; R1107-D1113 IonicContact CZ-OD2 3.66Å; R1107-D1113 IonicContact NE-OD2 3.84Å; R1107-D1113 IonicContact NH2-OD2 3.68Å; R1107-D1113 PolarHBondContact NH2-OD2 2.81Å
1108F84.5Confident79.8Confident24 Ų2443.4 Ų43.411%0.10522%0.215CC..Hα-helixtrans-57.8-45.1173.8172.4-115.5000112K1104 F1105 P1138 A1140 L1147 A1165 I1166 T1169K1104-F1108 WeakPolarHBondContact O-CB 3.49Å; K1104-F1108 PolarHBondContact O-N 3Å; F1105-F1108 HydrophobicContact CD2-CD1 4.41Å; F1105-F1108 WeakPolarHBondContact O-CB 3.41Å; F1105-F1108 PolarHBondContact O-N 3.06Å; F1108-P1138 WeakPolarHBondContact CZ-O 3.35Å; F1108-A1140 HydrophobicContact CD1-CB 3.91Å; F1108-A1140 HydrophobicContact CD2-CB 4.06Å; F1108-A1140 HydrophobicContact CE1-CB 3.68Å; F1108-A1140 HydrophobicContact CE2-CB 3.84Å; F1108-A1140 HydrophobicContact CG-CB 4.11Å; F1108-A1140 HydrophobicContact CZ-CB 3.65Å; F1108-A1140 WeakPolarHBondContact O-CB 3.42Å; F1108-L1147 HydrophobicContact CE1-CD1 3.72Å; F1108-A1165 HydrophobicContact CE1-CB 4.5Å; F1108-A1165 HydrophobicContact CE2-CB 4.44Å; F1108-A1165 HydrophobicContact CZ-CB 4.13Å; F1108-I1166 HydrophobicContact CB-CG2 4.17Å; F1108-I1166 HydrophobicContact CD1-CG2 4.15Å; F1108-I1166 HydrophobicContact CG-CG2 4.3Å; F1108-T1169 HydrophobicContact CB-CG2 4.1Å; F1108-T1169 HydrophobicContact CD2-CG2 4.29Å; F1108-T1169 WeakPolarHBondContact CD2-OG1 2.88Å
1109L84.5Confident78.6Confident1 Ų140.3 Ų40.31%0.00520%0.198CC..Hα-helixtrans-82.1-39.2-174.6-177.458.5000114.6F1105 L1106 R1107 I1125 A1140 T1142 L1147F1105-L1109 HydrophobicContact CE1-CD2 4.02Å; F1105-L1109 HydrophobicContact CZ-CB 4.46Å; F1105-L1109 HydrophobicContact CZ-CD2 3.83Å; F1105-L1109 WeakPolarHBondContact O-CB 3.34Å; F1105-L1109 PolarHBondContact O-N 2.85Å; L1106-L1109 PolarHBondContact O-N 3.37Å; R1107-L1109 VanDerWaalsContact C-N 3.34Å; R1107-L1109 PolarHBondContact O-N 3.34Å; L1109-I1125 HydrophobicContact CD2-CB 4.4Å; L1109-I1125 HydrophobicContact CD2-CD1 3.52Å; L1109-I1125 HydrophobicContact CD2-CG1 3.78Å; L1109-I1125 HydrophobicContact CD2-CG2 3.71Å; L1109-I1125 HydrophobicContact CG-CD1 4.42Å; L1109-I1125 HydrophobicContact CG-CG1 4.43Å; L1109-A1140 HydrophobicContact CD1-CB 4.29Å; L1109-T1142 WeakPolarHBondContact O-CA 3.37Å; L1109-L1147 HydrophobicContact CD1-CB 3.94Å
1110T76.7Confident77.6Confident11 Ų1134.2 Ų34.27%0.06717%0.167CC..Hα-helixtrans-116.7-11.9-168.571.60000113.6K872 L1106 C1112 I1125K872-T1110 WeakPolarHBondContact CE-O 3.3Å; K872-T1110 PolarHBondContact NZ-O 3.45Å; L1106-T1110 HydrophobicContact CD1-CG2 3.8Å; L1106-T1110 WeakPolarHBondContact O-CB 3.27Å; L1106-T1110 PolarHBondContact O-N 3.49Å; L1106-T1110 PolarHBondContact O-OG1 2.81Å; T1110-C1112 PolarHBondContact O-N 2.74Å; T1110-C1112 PolarHBondContact OG1-N 2.86Å; T1110-C1112 PolarHBondContact OG1-O 3.19Å; T1110-I1125 HydrophobicContact CG2-CD1 4.49Å
1111G74.1Confident76.3Confident6 Ų631 Ų316%0.06216%0.16CC..SBendtrans89.7-17.9-178.700000112.8R1107 F1172R1107-G1111 WeakPolarHBondContact O-CA 3.44Å; R1107-G1111 PolarHBondContact O-N 3.39Å; G1111-F1172 WeakPolarHBondContact O-CD2 3.06Å
1112C72Confident74.9Confident23 Ų2332.3 Ų32.316%0.15518%0.184CC..SBendtrans-117.4147.9178.2-168.10000109.3L1106 R1107 T1110 R1114L1106-C1112 CarbonylContact C-O 3.55Å; L1106-C1112 WeakPolarHBondContact CG-O 3.37Å; L1106-C1112 VanDerWaalsContact O-O 3.11Å; R1107-C1112 VanDerWaalsContact CA-O 3.23Å; R1107-C1112 WeakPolarHBondContact CA-O 3.14Å; R1107-C1112 PolarHBondContact N-O 2.98Å; R1107-C1112 VanDerWaalsContact N-O 3.11Å; T1110-C1112 PolarHBondContact O-N 2.74Å; T1110-C1112 PolarHBondContact OG1-N 2.86Å; T1110-C1112 PolarHBondContact OG1-O 3.19Å; C1112-R1114 VanDerWaalsContact C-N 3.25Å; C1112-R1114 PolarHBondContact SG-N 2.78Å; C1112-R1114 VanDerWaalsContact SG-N 3.37Å
1113D72.8Confident73.9Confident29 Ų2932.1 Ų32.116%0.15519%0.186CC..SBendtrans-89.28.9169.958.4-3.5000113K1103 R1107K1103-D1113 HydrophobicContact CB-CB 4.17Å; R1107-D1113 HydrophobicContact CB-CB 4.24Å; R1107-D1113 IonicContact CZ-OD2 3.66Å; R1107-D1113 IonicContact NE-OD2 3.84Å; R1107-D1113 IonicContact NH2-OD2 3.68Å; R1107-D1113 PolarHBondContact NH2-OD2 2.81Å
1114R73.7Confident73.3Confident63 Ų6336.6 Ų36.624%0.23821%0.205CC..SBendtrans-123.8158179.4-59171.1-174.1-137.47.8111.3V1059 E1062 C1112V1059-R1114 WeakPolarHBondContact O-CD 3.44Å; E1062-R1114 IonicContact OE1-NH2 3.48Å; C1112-R1114 VanDerWaalsContact C-N 3.25Å; C1112-R1114 PolarHBondContact SG-N 2.78Å; C1112-R1114 VanDerWaalsContact SG-N 3.37Å
1115V74.5Confident73.3Confident5 Ų532.7 Ų32.73%0.0319%0.188CC..BIsolated β-bridgetrans-115.9155.9179.7-63.60000111.6G1060 S1061 V1064 L1106 F1120G1060-V1115 CarbonylContact C-O 3.55Å; G1060-V1115 VanDerWaalsContact CA-O 3.31Å; G1060-V1115 WeakPolarHBondContact CA-O 3.35Å; S1061-V1115 PolarHBondContact N-O 3.44Å; S1061-V1115 PolarHBondContact O-N 3.46Å; S1061-V1115 VanDerWaalsContact O-N 3.08Å; V1064-V1115 HydrophobicContact CG1-CG1 4.21Å; V1064-V1115 HydrophobicContact CG2-CG1 3.97Å; V1064-V1115 HydrophobicContact CG2-CG2 4.07Å; L1106-V1115 HydrophobicContact CD1-CG1 4.16Å; L1106-V1115 HydrophobicContact CD2-CG1 3.49Å; L1106-V1115 VanDerWaalsContact CD2-CG1 3.49Å; L1106-V1115 HydrophobicContact CG-CG1 4.45Å; V1115-F1120 HydrophobicContact CB-CZ 4.5Å; V1115-F1120 HydrophobicContact CG1-CE1 3.84Å; V1115-F1120 HydrophobicContact CG1-CE2 3.87Å; V1115-F1120 HydrophobicContact CG1-CZ 3.37Å
1116P70.5Confident73.3Confident26 Ų2633.5 Ų33.517%0.16919%0.194CC..  trans-61.9150.2175.7-17.431000109.8I928 V1118 G1119 V1123I928-P1116 HydrophobicContact CD1-CB 4.31Å; I928-P1116 HydrophobicContact CD1-CG 3.75Å; I928-P1116 HydrophobicContact CG1-CB 4.41Å; I928-P1116 HydrophobicContact CG1-CG 4.07Å; P1116-V1118 PolarHBondContact O-N 3.23Å; P1116-V1118 VanDerWaalsContact O-N 3.17Å; P1116-G1119 WeakPolarHBondContact O-CA 3.36Å; P1116-G1119 PolarHBondContact O-N 3.44Å; P1116-V1123 HydrophobicContact CG-CG2 3.71Å
1117I67.4Low73.7Confident31 Ų3133.5 Ų33.516%0.15919%0.194CC..THydrogen-bonded Turntrans-55.9-35.3178.1-65.3-171.2000112.2A776 A777 E1053 S1056 L1057 G1119A776-I1117 HydrophobicContact CB-CD1 3.84Å; A776-I1117 HydrophobicContact CB-CG2 3.75Å; A777-I1117 HydrophobicContact CB-CG2 4Å; E1053-I1117 WeakPolarHBondContact O-CD1 3.27Å; S1056-I1117 VanDerWaalsContact O-CG1 3.25Å; S1056-I1117 WeakPolarHBondContact O-CG1 3.36Å; L1057-I1117 VanDerWaalsContact CA-CD1 3.42Å; L1057-I1117 HydrophobicContact CB-CD1 3.83Å; L1057-I1117 HydrophobicContact CD1-CD1 4.33Å; L1057-I1117 VanDerWaalsContact N-CD1 3.25Å; I1117-G1119 PolarHBondContact O-N 3.12Å
1118V64.9Low74.3Confident58 Ų5832.9 Ų32.935%0.35219%0.194SC..THydrogen-bonded Turntrans-70.92.9179.1-157.20000112.1A780 P1116 S1121A780-V1118 HydrophobicContact CB-CG2 3.87Å; P1116-V1118 PolarHBondContact O-N 3.23Å; P1116-V1118 VanDerWaalsContact O-N 3.17Å; V1118-S1121 PolarHBondContact O-OG 2.71Å
1119G64.1Low74.5Confident11 Ų1133.1 Ų33.111%0.11320%0.198CC..G310 helixtrans78.2-156.9-179.600000112.9P1116 I1117 S1121P1116-G1119 WeakPolarHBondContact O-CA 3.36Å; P1116-G1119 PolarHBondContact O-N 3.44Å; I1117-G1119 PolarHBondContact O-N 3.12Å; G1119-S1121 PolarHBondContact O-N 2.6Å
1120F63.3Low74.4Confident2 Ų235.9 Ų35.91%0.00921%0.213CC..G310 helixtrans-82.6-1.2178.8-73.2-77.5000113.1V1064 E1068 L1069 N1072 L1106 V1115 G1122 V1123 I1125V1064-F1120 HydrophobicContact CG1-CE2 3.52Å; V1064-F1120 HydrophobicContact CG1-CZ 3.92Å; E1068-F1120 PolarHBondContact OE1-N 2.84Å; L1069-F1120 HydrophobicContact CB-CD2 3.6Å; L1069-F1120 HydrophobicContact CB-CE2 3.5Å; L1069-F1120 VanDerWaalsContact CB-CE2 3.5Å; L1069-F1120 HydrophobicContact CB-CG 4.23Å; L1069-F1120 HydrophobicContact CB-CZ 4.1Å; L1069-F1120 HydrophobicContact CD1-CD1 3.44Å; L1069-F1120 VanDerWaalsContact CD1-CD1 3.44Å; L1069-F1120 HydrophobicContact CD1-CD2 3.83Å; L1069-F1120 HydrophobicContact CD1-CE1 3.31Å; L1069-F1120 HydrophobicContact CD1-CE2 3.67Å; L1069-F1120 HydrophobicContact CD1-CG 3.7Å; L1069-F1120 HydrophobicContact CD1-CZ 3.41Å; L1069-F1120 VanDerWaalsContact CD1-CZ 3.41Å; L1069-F1120 HydrophobicContact CD2-CE2 4.12Å; L1069-F1120 HydrophobicContact CD2-CZ 3.93Å; L1069-F1120 HydrophobicContact CG-CD2 4.23Å; L1069-F1120 HydrophobicContact CG-CE1 4.35Å; L1069-F1120 HydrophobicContact CG-CE2 3.91Å; L1069-F1120 HydrophobicContact CG-CZ 3.97Å; N1072-F1120 HydrophobicContact CB-CB 4.34Å; L1106-F1120 HydrophobicContact CD1-CE1 4.05Å; L1106-F1120 HydrophobicContact CD1-CZ 3.88Å; V1115-F1120 HydrophobicContact CB-CZ 4.5Å; V1115-F1120 HydrophobicContact CG1-CE1 3.84Å; V1115-F1120 HydrophobicContact CG1-CE2 3.87Å; V1115-F1120 HydrophobicContact CG1-CZ 3.37Å; F1120-G1122 PolarHBondContact O-N 3.05Å; F1120-G1122 VanDerWaalsContact O-N 3.12Å; F1120-V1123 HydrophobicContact CD1-CB 3.99Å; F1120-V1123 HydrophobicContact CD1-CG1 4.19Å; F1120-V1123 CarbonylContact O-C 3.59Å; F1120-V1123 PolarHBondContact O-N 3.25Å; F1120-V1123 VanDerWaalsContact O-O 3.11Å; F1120-I1125 HydrophobicContact CD1-CD1 4.22Å; F1120-I1125 HydrophobicContact CE1-CD1 3.92Å
1121S57.5Low74.2Confident74 Ų7442.7 Ų42.752%0.51725%0.249SC..G310 helixtrans-52.4-31.8172.264.90000113E1068 N1072 V1118 G1119E1068-S1121 PolarHBondContact OE1-N 2.94Å; N1072-S1121 PolarHBondContact ND2-N 2.96Å; V1118-S1121 PolarHBondContact O-OG 2.71Å; G1119-S1121 PolarHBondContact O-N 2.6Å
1122G58.2Low74.2Confident68 Ų6843 Ų4370%0.70125%0.249SC*.G310 helixtrans-93.4-13174.300000115.7F1120F1120-G1122 PolarHBondContact O-N 3.05Å; F1120-G1122 VanDerWaalsContact O-N 3.12Å
1123V67.4Low74.7Confident27 Ų2743.8 Ų43.816%0.16426%0.261CS..  trans-120.592.5-174.7-179.20000109P1116 F1120P1116-V1123 HydrophobicContact CG-CG2 3.71Å; F1120-V1123 HydrophobicContact CD1-CB 3.99Å; F1120-V1123 HydrophobicContact CD1-CG1 4.19Å; F1120-V1123 CarbonylContact O-C 3.59Å; F1120-V1123 PolarHBondContact O-N 3.25Å; F1120-V1123 VanDerWaalsContact O-O 3.11Å
1124K72.9Confident75.4Confident152 Ų15244.7 Ų44.766%0.66127%0.266SS*.  trans-76.6126.7173.6-71.6-175.9-179.9178.70110N1145K1124-N1145 WeakPolarHBondContact O-CB 3.49Å
1125I85.2Confident76.1Confident6 Ų648.2 Ų48.23%0.03129%0.29CS..EExtended strand (participates in β ladder)trans-103.8141.3172.3-76.3158.7000109L1069 T1073 T1074 L1109 T1110 F1120 I1127 N1145L1069-I1125 HydrophobicContact CD1-CD1 3.19Å; L1069-I1125 HydrophobicContact CD1-CG1 4.38Å; L1069-I1125 HydrophobicContact CG-CD1 4.49Å; T1073-I1125 WeakPolarHBondContact CA-O 3.37Å; T1073-I1125 HydrophobicContact CG2-CG2 4.14Å; T1074-I1125 PolarHBondContact N-O 3.35Å; T1074-I1125 PolarHBondContact OG1-O 3.1Å; L1109-I1125 HydrophobicContact CD2-CB 4.4Å; L1109-I1125 HydrophobicContact CD2-CD1 3.52Å; L1109-I1125 HydrophobicContact CD2-CG1 3.78Å; L1109-I1125 HydrophobicContact CD2-CG2 3.71Å; L1109-I1125 HydrophobicContact CG-CD1 4.42Å; L1109-I1125 HydrophobicContact CG-CG1 4.43Å; T1110-I1125 HydrophobicContact CG2-CD1 4.49Å; F1120-I1125 HydrophobicContact CD1-CD1 4.22Å; F1120-I1125 HydrophobicContact CE1-CD1 3.92Å; I1125-I1127 HydrophobicContact CG2-CG1 4.46Å; I1125-N1145 WeakPolarHBondContact CA-O 3.24Å; I1125-N1145 HydrophobicContact CG1-CB 4.07Å
1126T90.1Very high76.7Confident20 Ų2053.7 Ų53.712%0.12331%0.314CS..EExtended strand (participates in β ladder)trans-122.2126.2178.2-53.80000109.5T1074 Q1076 N1145 L1146 L1147T1074-T1126 CarbonylContact O-C 3.58Å; T1074-T1126 VanDerWaalsContact O-CA 3.32Å; T1074-T1126 WeakPolarHBondContact O-CA 3.22Å; T1074-T1126 PolarHBondContact OG1-OG1 2.85Å; Q1076-T1126 HydrophobicContact CG-CG2 3.66Å; T1126-N1145 PolarHBondContact N-O 2.98Å; T1126-N1145 VanDerWaalsContact N-O 3.14Å; T1126-L1146 HydrophobicContact CG2-CD1 4.31Å; T1126-L1146 CarbonylContact O-C 3.55Å; T1126-L1146 WeakPolarHBondContact O-CA 3.15Å; T1126-L1147 PolarHBondContact O-N 3.27Å
1127I93.4Very high77.6Confident1 Ų156 Ų561%0.00532%0.324CS..EExtended strand (participates in β ladder)trans-107.5125.8172.9-56.5-179.1000108.7T1073 T1074 Y1075 Q1076 Y1079 I1086 F1089 I1125 L1147 L1149T1073-I1127 HydrophobicContact CG2-CD1 3.74Å; T1073-I1127 HydrophobicContact CG2-CG1 3.73Å; T1074-I1127 PolarHBondContact O-N 2.63Å; Y1075-I1127 WeakPolarHBondContact CA-O 3.46Å; Y1075-I1127 HydrophobicContact CD1-CB 4.04Å; Y1075-I1127 HydrophobicContact CE1-CB 4.37Å; Y1075-I1127 HydrophobicContact CE1-CD1 4.09Å; Q1076-I1127 PolarHBondContact N-O 2.89Å; Y1079-I1127 HydrophobicContact CD2-CG2 4.03Å; Y1079-I1127 HydrophobicContact CE2-CG2 4.35Å; I1086-I1127 HydrophobicContact CD1-CG2 3.88Å; F1089-I1127 HydrophobicContact CD1-CD1 3.94Å; F1089-I1127 HydrophobicContact CE1-CD1 3.56Å; F1089-I1127 HydrophobicContact CZ-CD1 4.05Å; I1125-I1127 HydrophobicContact CG2-CG1 4.46Å; I1127-L1147 WeakPolarHBondContact CA-O 3.23Å; I1127-L1147 HydrophobicContact CD1-CD2 4.4Å; I1127-L1147 HydrophobicContact CG1-CB 4.29Å; I1127-L1147 HydrophobicContact CG1-CD2 4.33Å; I1127-L1149 HydrophobicContact CG2-CB 3.84Å; I1127-L1149 HydrophobicContact CG2-CD2 4.1Å
1128Q92.4Very high78.7Confident52 Ų5254.8 Ų54.824%0.24332%0.318CS..EExtended strand (participates in β ladder)trans-127.3150.417874.6178.617.800111.7Q1076 L1146 L1147 D1148 L1149Q1076-Q1128 HydrophobicContact CB-CB 4.03Å; Q1128-L1146 HydrophobicContact CG-CD2 3.94Å; Q1128-L1147 PolarHBondContact N-O 2.89Å; Q1128-D1148 VanDerWaalsContact CD-OD1 3.27Å; Q1128-D1148 WeakPolarHBondContact CG-OD1 3.13Å; Q1128-D1148 PolarHBondContact NE2-OD1 3.2Å; Q1128-L1149 PolarHBondContact O-N 3.27Å
1129P89.6Confident79.8Confident29 Ų2955.3 Ų55.319%0.18832%0.322CS..EExtended strand (participates in β ladder)trans-71.4134.8175.829.4-34.9000110.3Q1076 I1078 Y1079Q1076-P1129 WeakPolarHBondContact O-CD 3.2Å; I1078-P1129 HydrophobicContact CG1-CB 3.95Å; I1078-P1129 HydrophobicContact CG1-CG 3.9Å; Y1079-P1129 HydrophobicContact CD2-CB 4.03Å; Y1079-P1129 HydrophobicContact CD2-CG 4.37Å; Y1079-P1129 HydrophobicContact CE1-CB 4.32Å; Y1079-P1129 HydrophobicContact CE2-CB 3.65Å; Y1079-P1129 HydrophobicContact CE2-CG 4.46Å
1130N82.4Confident80.9Confident60 Ų6055.6 Ų55.632%0.32132%0.323SS..EExtended strand (participates in β ladder)trans-99.3136.8158.5-166.2-9.3000107.9S1132 D1148 L1149N1130-S1132 VanDerWaalsContact CB-OG 3.27Å; N1130-S1132 WeakPolarHBondContact CB-OG 3.4Å; N1130-S1132 PolarHBondContact ND2-OG 3.08Å; N1130-S1132 VanDerWaalsContact ND2-OG 3.07Å; N1130-S1132 PolarHBondContact O-N 2.91Å; N1130-S1132 PolarHBondContact OD1-OG 3.16Å; N1130-D1148 HydrophobicContact CB-CB 4.23Å; N1130-L1149 PolarHBondContact N-O 3Å
1131N72.7Confident81.9Confident154 Ų15459.6 Ų59.682%0.82434%0.341SS*.SBendtrans-72.915.7-179.2-77.4-20000113.1
1132S72.4Confident82.6Confident11 Ų1157.7 Ų57.78%0.07733%0.326CS..  trans-82.4132.3173.723.50000110.2N1130 F1136 P1150N1130-S1132 VanDerWaalsContact CB-OG 3.27Å; N1130-S1132 WeakPolarHBondContact CB-OG 3.4Å; N1130-S1132 PolarHBondContact ND2-OG 3.08Å; N1130-S1132 VanDerWaalsContact ND2-OG 3.07Å; N1130-S1132 PolarHBondContact O-N 2.91Å; N1130-S1132 PolarHBondContact OD1-OG 3.16Å; S1132-F1136 VanDerWaalsContact CB-CB 3.5Å; S1132-P1150 WeakPolarHBondContact O-CB 3.41Å
1133G82.4Confident83.3Confident40 Ų4057.1 Ų57.141%0.41231%0.311SS..  trans-77.5-163.117600000113.2D1135 F1136G1133-D1135 PolarHBondContact O-N 3.17Å; G1133-F1136 PolarHBondContact O-N 2.91Å
1134D88.8Confident83.6Confident48 Ų4858.9 Ų58.926%0.25733%0.328SS..THydrogen-bonded Turntrans-54.1-21.9-173.4-72.5-22.9000115.9F1136 Y1152 S1153 I1157 K1161D1134-F1136 VanDerWaalsContact C-N 3.34Å; D1134-F1136 PolarHBondContact O-N 3.44Å; D1134-Y1152 VanDerWaalsContact OD1-CA 3.23Å; D1134-Y1152 WeakPolarHBondContact OD1-CA 3.39Å; D1134-S1153 PolarHBondContact OD1-N 3.23Å; D1134-S1153 PolarHBondContact OD1-OG 3.28Å; D1134-S1153 VanDerWaalsContact OD2-CB 3.28Å; D1134-S1153 WeakPolarHBondContact OD2-CB 3.33Å; D1134-S1153 PolarHBondContact OD2-OG 3.25Å; D1134-I1157 HydrophobicContact CB-CD1 4.29Å; D1134-I1157 HydrophobicContact CB-CG2 4.05Å; D1134-K1161 WeakPolarHBondContact O-CE 3.34Å; D1134-K1161 PolarHBondContact O-NZ 3.46Å
1135D87.6Confident84Confident138 Ų13852.8 Ų52.874%0.73830%0.303SS*.THydrogen-bonded Turntrans-75.2-20.6-176-70.2-40.2000114.1G1133 K1161G1133-D1135 PolarHBondContact O-N 3.17Å; D1135-K1161 PolarHBondContact O-NZ 2.9Å
1136F88.4Confident84.1Confident119 Ų11953.8 Ų53.852%0.52231%0.308SS..SBendtrans-92.5152.8-172.2-65.4-100.4000113.1S1132 G1133 D1134 P1150 Y1152S1132-F1136 VanDerWaalsContact CB-CB 3.5Å; G1133-F1136 PolarHBondContact O-N 2.91Å; D1134-F1136 VanDerWaalsContact C-N 3.34Å; D1134-F1136 PolarHBondContact O-N 3.44Å; F1136-P1150 HydrophobicContact CB-CG 4.25Å; F1136-Y1152 PolarHBondContact O-OH 2.87Å
1137L89.1Confident84.2Confident76 Ų7652.8 Ų52.840%0.39830%0.303SS..PPolyproline II helixtrans-85.5151.3171.5-64.5176000110K1161 L1164 A1165L1137-K1161 HydrophobicContact CD2-CB 4.25Å; L1137-K1161 HydrophobicContact CD2-CD 3.82Å; L1137-K1161 WeakPolarHBondContact CD2-O 3.13Å; L1137-L1164 HydrophobicContact CD2-CB 3.87Å; L1137-A1165 HydrophobicContact CB-CB 4.45Å
1138P89.9Confident84.1Confident4 Ų453.6 Ų53.63%0.02631%0.307CS..PPolyproline II helixtrans-62.4149.7165.528.9-32.9000110.4F1108 L1147 D1148 L1149 Y1152 L1162 A1165F1108-P1138 WeakPolarHBondContact CZ-O 3.35Å; P1138-L1147 HydrophobicContact CB-CD1 4.19Å; P1138-D1148 VanDerWaalsContact CA-O 3.23Å; P1138-D1148 WeakPolarHBondContact CA-O 3.43Å; P1138-L1149 HydrophobicContact CB-CD1 4.35Å; P1138-Y1152 WeakPolarHBondContact CD-OH 3.36Å; P1138-L1162 HydrophobicContact CG-CD1 3.82Å; P1138-A1165 HydrophobicContact CG-CB 3.62Å
1139V88.8Confident84.1Confident70 Ų7051.1 Ų51.142%0.42430%0.295SS..EExtended strand (participates in β ladder)trans-125.1131.4-179.8-179.60000109.2D1148V1139-D1148 HydrophobicContact CB-CB 4.13Å; V1139-D1148 PolarHBondContact N-O 2.88Å; V1139-D1148 WeakPolarHBondContact O-CB 3.43Å; V1139-D1148 PolarHBondContact O-N 2.98Å
1140A86.5Confident84.3Confident17 Ų1749.8 Ų49.814%0.1429%0.286CS..EExtended strand (participates in β ladder)trans-105.1133.417700000111.2F1108 L1109 L1146F1108-A1140 HydrophobicContact CD1-CB 3.91Å; F1108-A1140 HydrophobicContact CD2-CB 4.06Å; F1108-A1140 HydrophobicContact CE1-CB 3.68Å; F1108-A1140 HydrophobicContact CE2-CB 3.84Å; F1108-A1140 HydrophobicContact CG-CB 4.11Å; F1108-A1140 HydrophobicContact CZ-CB 3.65Å; F1108-A1140 WeakPolarHBondContact O-CB 3.42Å; L1109-A1140 HydrophobicContact CD1-CB 4.29Å; A1140-L1146 CarbonylContact C-O 3.55Å; A1140-L1146 WeakPolarHBondContact CA-O 3.29Å
1141H83.8Confident84.6Confident85 Ų8550.7 Ų50.739%0.39429%0.289SS..EExtended strand (participates in β ladder)trans-97.885.9169.2-58.8-94.8000108.2C1143 A1144 N1145 L1146 D1148H1141-C1143 VanDerWaalsContact C-N 3.28Å; H1141-C1143 PolarHBondContact O-N 2.85Å; H1141-A1144 HydrophobicContact CB-CB 4.25Å; H1141-A1144 CarbonylContact O-C 3.06Å; H1141-A1144 PolarHBondContact O-N 2.96Å; H1141-N1145 PolarHBondContact O-N 2.94Å; H1141-L1146 HydrophobicContact CB-CB 4.21Å; H1141-L1146 WeakPolarHBondContact CD2-CD2 3.4Å; H1141-L1146 PolarHBondContact N-O 3.48Å; H1141-L1146 PolarHBondContact O-N 2.78Å; H1141-D1148 IonicContact CD2-OD2 3.24Å; H1141-D1148 IonicContact CE1-OD2 2.65Å; H1141-D1148 IonicContact NE2-OD1 3.05Å; H1141-D1148 IonicContact NE2-OD2 3.68Å; H1141-D1148 PolarHBondContact NE2-OD2 2.96Å
1142T73.6Confident85.5Confident34 Ų3443.6 Ų43.621%0.20925%0.251CS..THydrogen-bonded Turntrans-59.6-33.3-166.3-43.90000114.7K872 L1109 A1144 N1145 F1172K872-T1142 PolarHBondContact NZ-O 3.38Å; L1109-T1142 WeakPolarHBondContact O-CA 3.37Å; T1142-A1144 VanDerWaalsContact C-N 3.33Å; T1142-N1145 PolarHBondContact O-OD1 2.69Å; T1142-F1172 HydrophobicContact CG2-CE2 4.16Å
1143C71.1Confident86.4Confident57 Ų5746.7 Ų46.739%0.38527%0.272SS..THydrogen-bonded Turntrans-72.1-27.3176.6-56.70000112.6H1141H1141-C1143 VanDerWaalsContact C-N 3.28Å; H1141-C1143 PolarHBondContact O-N 2.85Å
1144A75Confident86.9Confident63 Ų6346.6 Ų46.652%0.52126%0.264SS..THydrogen-bonded Turntrans-103.6-1.8-178.200000113.6H1141 T1142 L1146H1141-A1144 HydrophobicContact CB-CB 4.25Å; H1141-A1144 CarbonylContact O-C 3.06Å; H1141-A1144 PolarHBondContact O-N 2.96Å; T1142-A1144 VanDerWaalsContact C-N 3.33Å; A1144-L1146 HydrophobicContact CB-CB 4.26Å; A1144-L1146 PolarHBondContact O-N 3.39Å
1145N80.7Confident87.1Confident24 Ų2446.9 Ų46.913%0.12826%0.263CS..THydrogen-bonded Turntrans49.239.3-172.7-50.9-44.9000112.7K872 K1124 I1125 T1126 H1141 T1142K872-N1145 PolarHBondContact NZ-OD1 2.92Å; K1124-N1145 WeakPolarHBondContact O-CB 3.49Å; I1125-N1145 WeakPolarHBondContact CA-O 3.24Å; I1125-N1145 HydrophobicContact CG1-CB 4.07Å; T1126-N1145 PolarHBondContact N-O 2.98Å; T1126-N1145 VanDerWaalsContact N-O 3.14Å; H1141-N1145 PolarHBondContact O-N 2.94Å; T1142-N1145 PolarHBondContact O-OD1 2.69Å
1146L87.4Confident87.4Confident27 Ų2746.8 Ų46.814%0.14126%0.259CS..EExtended strand (participates in β ladder)trans-110.9133.9-175.4-178.5153.2000110.4T1126 Q1128 A1140 H1141 A1144T1126-L1146 HydrophobicContact CG2-CD1 4.31Å; T1126-L1146 CarbonylContact O-C 3.55Å; T1126-L1146 WeakPolarHBondContact O-CA 3.15Å; Q1128-L1146 HydrophobicContact CG-CD2 3.94Å; A1140-L1146 CarbonylContact C-O 3.55Å; A1140-L1146 WeakPolarHBondContact CA-O 3.29Å; H1141-L1146 HydrophobicContact CB-CB 4.21Å; H1141-L1146 WeakPolarHBondContact CD2-CD2 3.4Å; H1141-L1146 PolarHBondContact N-O 3.48Å; H1141-L1146 PolarHBondContact O-N 2.78Å; A1144-L1146 HydrophobicContact CB-CB 4.26Å; A1144-L1146 PolarHBondContact O-N 3.39Å
1147L92.3Very high87.5Confident0 Ų043.4 Ų43.40%025%0.246CC..EExtended strand (participates in β ladder)trans-113.6116.7179.4-176.667.4000110.7F1089 F1105 F1108 L1109 T1126 I1127 Q1128 P1138 L1149F1089-L1147 HydrophobicContact CE2-CD2 3.75Å; F1089-L1147 HydrophobicContact CZ-CD2 3.97Å; F1105-L1147 HydrophobicContact CE2-CD2 4.18Å; F1105-L1147 HydrophobicContact CZ-CD2 4.26Å; F1108-L1147 HydrophobicContact CE1-CD1 3.72Å; L1109-L1147 HydrophobicContact CD1-CB 3.94Å; T1126-L1147 PolarHBondContact O-N 3.27Å; I1127-L1147 WeakPolarHBondContact CA-O 3.23Å; I1127-L1147 HydrophobicContact CD1-CD2 4.4Å; I1127-L1147 HydrophobicContact CG1-CB 4.29Å; I1127-L1147 HydrophobicContact CG1-CD2 4.33Å; Q1128-L1147 PolarHBondContact N-O 2.89Å; P1138-L1147 HydrophobicContact CB-CD1 4.19Å; L1147-L1149 PolarHBondContact O-N 3.06Å
1148D91.2Very high87.8Confident18 Ų1839.8 Ų39.810%0.09623%0.227CC..EExtended strand (participates in β ladder)trans-80106.7165.7-71.5-28.2000108.9Q1128 N1130 P1138 V1139 H1141Q1128-D1148 VanDerWaalsContact CD-OD1 3.27Å; Q1128-D1148 WeakPolarHBondContact CG-OD1 3.13Å; Q1128-D1148 PolarHBondContact NE2-OD1 3.2Å; N1130-D1148 HydrophobicContact CB-CB 4.23Å; P1138-D1148 VanDerWaalsContact CA-O 3.23Å; P1138-D1148 WeakPolarHBondContact CA-O 3.43Å; V1139-D1148 HydrophobicContact CB-CB 4.13Å; V1139-D1148 PolarHBondContact N-O 2.88Å; V1139-D1148 WeakPolarHBondContact O-CB 3.43Å; V1139-D1148 PolarHBondContact O-N 2.98Å; H1141-D1148 IonicContact CD2-OD2 3.24Å; H1141-D1148 IonicContact CE1-OD2 2.65Å; H1141-D1148 IonicContact NE2-OD1 3.05Å; H1141-D1148 IonicContact NE2-OD2 3.68Å; H1141-D1148 PolarHBondContact NE2-OD2 2.96Å
1149L93.1Very high87.9Confident0 Ų040.8 Ų40.80%024%0.235CC..EExtended strand (participates in β ladder)trans-107.7114.3-179.5-175.268.2000110.3Y1079 V1085 I1086 F1089 I1127 Q1128 N1130 P1138 L1147 Y1152Y1079-L1149 HydrophobicContact CE2-CB 3.99Å; Y1079-L1149 HydrophobicContact CE2-CD2 4.43Å; Y1079-L1149 HydrophobicContact CE2-CG 4.48Å; Y1079-L1149 VanDerWaalsContact CE2-O 3.31Å; Y1079-L1149 WeakPolarHBondContact CE2-O 3.34Å; Y1079-L1149 PolarHBondContact OH-O 2.65Å; V1085-L1149 HydrophobicContact CG1-CD2 3.94Å; V1085-L1149 HydrophobicContact CG1-CG 4.36Å; I1086-L1149 HydrophobicContact CD1-CD2 4.06Å; F1089-L1149 HydrophobicContact CB-CD2 3.97Å; F1089-L1149 HydrophobicContact CD2-CD1 4.3Å; F1089-L1149 HydrophobicContact CD2-CD2 4.15Å; F1089-L1149 HydrophobicContact CG-CD2 4.12Å; I1127-L1149 HydrophobicContact CG2-CB 3.84Å; I1127-L1149 HydrophobicContact CG2-CD2 4.1Å; Q1128-L1149 PolarHBondContact O-N 3.27Å; N1130-L1149 PolarHBondContact N-O 3Å; P1138-L1149 HydrophobicContact CB-CD1 4.35Å; L1147-L1149 PolarHBondContact O-N 3.06Å; L1149-Y1152 HydrophobicContact CD1-CE2 4.05Å
1150P92.2Very high88.1Confident0 Ų044.3 Ų44.30%024%0.244CC..EExtended strand (participates in β ladder)trans-58.5151.2173.2-28.538000113.2Y1079 S1132 F1136 Y1152Y1079-P1150 PolarHBondContact OH-O 3.13Å; S1132-P1150 WeakPolarHBondContact O-CB 3.41Å; F1136-P1150 HydrophobicContact CB-CG 4.25Å; P1150-Y1152 VanDerWaalsContact C-N 3.34Å; P1150-Y1152 HydrophobicContact CB-CD1 4.43Å; P1150-Y1152 HydrophobicContact CB-CD2 4.48Å; P1150-Y1152 HydrophobicContact CB-CE1 3.9Å; P1150-Y1152 HydrophobicContact CB-CE2 3.99Å; P1150-Y1152 HydrophobicContact CG-CE1 4.39Å; P1150-Y1152 HydrophobicContact CG-CE2 4.27Å; P1150-Y1152 WeakPolarHBondContact CG-OH 3.09Å; P1150-Y1152 WeakPolarHBondContact O-CD2 3.4Å; P1150-Y1152 PolarHBondContact O-N 3.01Å
1151Q89.8Confident88.3Confident79 Ų7945.5 Ų45.537%0.36925%0.247SC..  trans-80.580.1176.4-70.8179.246.700110.7I1078 Y1079I1078-Q1151 HydrophobicContact CD1-CG 4.03Å; Y1079-Q1151 HydrophobicContact CE1-CG 4.12Å; Y1079-Q1151 WeakPolarHBondContact OH-CG 3.49Å; Y1079-Q1151 PolarHBondContact OH-N 2.88Å
1152Y92.2Very high88.7Confident6 Ų641.5 Ų41.52%0.02423%0.228CC..  trans-66.1144.9-179.3-63.8-63.8000112.8W1088 D1134 F1136 P1138 L1149 P1150 I1157 L1158 K1161W1088-Y1152 WeakPolarHBondContact CZ3-O 3.06Å; D1134-Y1152 VanDerWaalsContact OD1-CA 3.23Å; D1134-Y1152 WeakPolarHBondContact OD1-CA 3.39Å; F1136-Y1152 PolarHBondContact O-OH 2.87Å; P1138-Y1152 WeakPolarHBondContact CD-OH 3.36Å; L1149-Y1152 HydrophobicContact CD1-CE2 4.05Å; P1150-Y1152 VanDerWaalsContact C-N 3.34Å; P1150-Y1152 HydrophobicContact CB-CD1 4.43Å; P1150-Y1152 HydrophobicContact CB-CD2 4.48Å; P1150-Y1152 HydrophobicContact CB-CE1 3.9Å; P1150-Y1152 HydrophobicContact CB-CE2 3.99Å; P1150-Y1152 HydrophobicContact CG-CE1 4.39Å; P1150-Y1152 HydrophobicContact CG-CE2 4.27Å; P1150-Y1152 WeakPolarHBondContact CG-OH 3.09Å; P1150-Y1152 WeakPolarHBondContact O-CD2 3.4Å; P1150-Y1152 PolarHBondContact O-N 3.01Å; Y1152-I1157 HydrophobicContact CD1-CG2 3.57Å; Y1152-I1157 HydrophobicContact CE1-CG2 4.11Å; Y1152-I1157 HydrophobicContact CG-CG2 4.35Å; Y1152-L1158 HydrophobicContact CD2-CB 3.61Å; Y1152-L1158 HydrophobicContact CD2-CD1 3.85Å; Y1152-L1158 HydrophobicContact CD2-CG 3.55Å; Y1152-L1158 HydrophobicContact CE2-CB 4.33Å; Y1152-L1158 HydrophobicContact CE2-CG 4.07Å; Y1152-L1158 HydrophobicContact CG-CB 3.95Å; Y1152-L1158 HydrophobicContact CG-CG 4.39Å; Y1152-K1161 HydrophobicContact CE1-CB 3.92Å; Y1152-K1161 HydrophobicContact CE1-CG 3.78Å; Y1152-K1161 HydrophobicContact CE2-CB 4.49Å; Y1152-K1161 WeakPolarHBondContact OH-CB 3.49Å
1153S90.2Very high89.6Confident76 Ų7640.9 Ų40.953%0.53123%0.225SC..SBendtrans-78.4-26.1-178.464.10000114.4W1088 D1134 I1157W1088-S1153 WeakPolarHBondContact CH2-O 3.4Å; D1134-S1153 PolarHBondContact OD1-N 3.23Å; D1134-S1153 PolarHBondContact OD1-OG 3.28Å; D1134-S1153 VanDerWaalsContact OD2-CB 3.28Å; D1134-S1153 WeakPolarHBondContact OD2-CB 3.33Å; D1134-S1153 PolarHBondContact OD2-OG 3.25Å; S1153-I1157 WeakPolarHBondContact OG-CD1 3.44Å
1154C92.5Very high90.5Very high37 Ų3741.3 Ų41.325%0.2522%0.223CC..SBendtrans-148.7164.1175.2740000113E1156 I1157 L1158C1154-E1156 VanDerWaalsContact C-N 3.3Å; C1154-E1156 WeakPolarHBondContact CB-OE2 3.26Å; C1154-E1156 PolarHBondContact O-N 3.18Å; C1154-E1156 PolarHBondContact SG-OE2 2.84Å; C1154-I1157 PolarHBondContact O-N 2.91Å; C1154-L1158 PolarHBondContact O-N 3.12Å
1155K94.1Very high91Very high54 Ų5438.6 Ų38.624%0.23520%0.201CC..Hα-helixtrans-60.7-37.2-178.3-171.9-173.9175.2-1610112.1W1088 V1092 D1096 I1157 L1158 A1159W1088-K1155 HydrophobicContact CB-CB 4.35Å; W1088-K1155 HydrophobicContact CB-CG 4.15Å; W1088-K1155 HydrophobicContact CD2-CB 4.17Å; W1088-K1155 HydrophobicContact CG-CB 3.91Å; W1088-K1155 HydrophobicContact CG-CG 4.15Å; V1092-K1155 HydrophobicContact CG2-CG 3.95Å; D1096-K1155 IonicContact OD1-NZ 3.97Å; D1096-K1155 PolarHBondContact OD1-NZ 3.13Å; D1096-K1155 WeakPolarHBondContact OD2-CE 3.32Å; D1096-K1155 IonicContact OD2-NZ 2.79Å; D1096-K1155 PolarHBondContact OD2-NZ 2.84Å; K1155-I1157 PolarHBondContact O-N 3.23Å; K1155-L1158 PolarHBondContact O-N 3.07Å; K1155-A1159 WeakPolarHBondContact O-CB 3.5Å; K1155-A1159 PolarHBondContact O-N 3.03Å
1156E93Very high91.4Very high137 Ų13737.5 Ų37.564%0.6420%0.195SC*.Hα-helixtrans-65.8-39.1-176.6-61.177.1-167.400112.4C1154 K1160C1154-E1156 VanDerWaalsContact C-N 3.3Å; C1154-E1156 WeakPolarHBondContact CB-OE2 3.26Å; C1154-E1156 PolarHBondContact O-N 3.18Å; C1154-E1156 PolarHBondContact SG-OE2 2.84Å; E1156-K1160 WeakPolarHBondContact O-CB 3.45Å; E1156-K1160 PolarHBondContact O-N 2.8Å; E1156-K1160 VanDerWaalsContact O-N 3.11Å
1157I91.9Very high91.2Very high48 Ų4841.3 Ų41.325%0.24621%0.212CC..Hα-helixtrans-67.8-46176.9-65.8170.2000109.8D1134 Y1152 S1153 C1154 K1155 A1159 K1160 K1161D1134-I1157 HydrophobicContact CB-CD1 4.29Å; D1134-I1157 HydrophobicContact CB-CG2 4.05Å; Y1152-I1157 HydrophobicContact CD1-CG2 3.57Å; Y1152-I1157 HydrophobicContact CE1-CG2 4.11Å; Y1152-I1157 HydrophobicContact CG-CG2 4.35Å; S1153-I1157 WeakPolarHBondContact OG-CD1 3.44Å; C1154-I1157 PolarHBondContact O-N 2.91Å; K1155-I1157 PolarHBondContact O-N 3.23Å; I1157-A1159 VanDerWaalsContact C-N 3.35Å; I1157-A1159 PolarHBondContact O-N 3.01Å; I1157-K1160 PolarHBondContact O-N 2.77Å; I1157-K1161 HydrophobicContact CG2-CG 4.07Å; I1157-K1161 WeakPolarHBondContact O-CB 3.21Å; I1157-K1161 VanDerWaalsContact O-CG 3.25Å; I1157-K1161 WeakPolarHBondContact O-CG 3.15Å; I1157-K1161 PolarHBondContact O-N 2.86Å
1158L93.7Very high90.3Very high0 Ų048.7 Ų48.70%025%0.247CC..Hα-helixtrans-55.5-50.6176-171.7157.5000110.7V1085 W1088 F1089 V1092 Y1152 C1154 K1155 K1160 K1161 L1162V1085-L1158 HydrophobicContact CG1-CD1 3.98Å; W1088-L1158 HydrophobicContact CB-CD1 3.99Å; F1089-L1158 HydrophobicContact CB-CD1 4.17Å; F1089-L1158 HydrophobicContact CB-CD2 4.46Å; V1092-L1158 HydrophobicContact CB-CD2 4.08Å; V1092-L1158 HydrophobicContact CG1-CD2 4.33Å; V1092-L1158 HydrophobicContact CG2-CD2 3.86Å; Y1152-L1158 HydrophobicContact CD2-CB 3.61Å; Y1152-L1158 HydrophobicContact CD2-CD1 3.85Å; Y1152-L1158 HydrophobicContact CD2-CG 3.55Å; Y1152-L1158 HydrophobicContact CE2-CB 4.33Å; Y1152-L1158 HydrophobicContact CE2-CG 4.07Å; Y1152-L1158 HydrophobicContact CG-CB 3.95Å; Y1152-L1158 HydrophobicContact CG-CG 4.39Å; C1154-L1158 PolarHBondContact O-N 3.12Å; K1155-L1158 PolarHBondContact O-N 3.07Å; L1158-K1160 VanDerWaalsContact C-N 3.35Å; L1158-K1160 PolarHBondContact O-N 3.46Å; L1158-K1161 PolarHBondContact O-N 2.74Å; L1158-L1162 HydrophobicContact CD2-CB 4.44Å; L1158-L1162 HydrophobicContact CD2-CD2 4.24Å; L1158-L1162 WeakPolarHBondContact O-CB 3.2Å; L1158-L1162 PolarHBondContact O-N 3.48Å
1159A93Very high89.1Confident24 Ų2449.6 Ų49.620%0.19825%0.253CS..Hα-helixtrans-57.1-47.6-179.600000112V1092 K1155 I1157 S1163V1092-A1159 HydrophobicContact CG1-CB 4.03Å; V1092-A1159 HydrophobicContact CG2-CB 3.73Å; K1155-A1159 WeakPolarHBondContact O-CB 3.5Å; K1155-A1159 PolarHBondContact O-N 3.03Å; I1157-A1159 VanDerWaalsContact C-N 3.35Å; I1157-A1159 PolarHBondContact O-N 3.01Å; A1159-S1163 VanDerWaalsContact O-CB 3.27Å; A1159-S1163 WeakPolarHBondContact O-CB 3.47Å; A1159-S1163 PolarHBondContact O-N 3.09Å
1160K92.6Very high87.4Confident144 Ų14457.8 Ų57.863%0.62629%0.291SS*.Hα-helixtrans-63.8-46.2179.1-175.1178.2178.5-179.80112.2E1156 I1157 L1158 L1164E1156-K1160 WeakPolarHBondContact O-CB 3.45Å; E1156-K1160 PolarHBondContact O-N 2.8Å; E1156-K1160 VanDerWaalsContact O-N 3.11Å; I1157-K1160 PolarHBondContact O-N 2.77Å; L1158-K1160 VanDerWaalsContact C-N 3.35Å; L1158-K1160 PolarHBondContact O-N 3.46Å; K1160-L1164 HydrophobicContact CG-CD1 4.11Å; K1160-L1164 WeakPolarHBondContact O-CB 3.28Å; K1160-L1164 WeakPolarHBondContact O-CD1 3.43Å; K1160-L1164 PolarHBondContact O-N 2.91Å
1161K91.7Very high85.4Confident43 Ų4358.4 Ų58.419%0.18730%0.297CS..Hα-helixtrans-71.4-39.7-176.8-67.8-76.5179.4163.50112D1134 D1135 L1137 Y1152 I1157 L1158 L1164 A1165D1134-K1161 WeakPolarHBondContact O-CE 3.34Å; D1134-K1161 PolarHBondContact O-NZ 3.46Å; D1135-K1161 PolarHBondContact O-NZ 2.9Å; L1137-K1161 HydrophobicContact CD2-CB 4.25Å; L1137-K1161 HydrophobicContact CD2-CD 3.82Å; L1137-K1161 WeakPolarHBondContact CD2-O 3.13Å; Y1152-K1161 HydrophobicContact CE1-CB 3.92Å; Y1152-K1161 HydrophobicContact CE1-CG 3.78Å; Y1152-K1161 HydrophobicContact CE2-CB 4.49Å; Y1152-K1161 WeakPolarHBondContact OH-CB 3.49Å; I1157-K1161 HydrophobicContact CG2-CG 4.07Å; I1157-K1161 WeakPolarHBondContact O-CB 3.21Å; I1157-K1161 VanDerWaalsContact O-CG 3.25Å; I1157-K1161 WeakPolarHBondContact O-CG 3.15Å; I1157-K1161 PolarHBondContact O-N 2.86Å; L1158-K1161 PolarHBondContact O-N 2.74Å; K1161-L1164 PolarHBondContact O-N 3.48Å; K1161-A1165 PolarHBondContact O-N 3.26Å
1162L91.8Very high83.6Confident0 Ų059.3 Ų59.30%030%0.3CS..Hα-helixtrans-63.8-45.7174.2-172.464000110.8F1089 V1092 F1097 F1105 P1138 L1158 L1164 A1165 I1166F1089-L1162 HydrophobicContact CD2-CD2 4.01Å; F1089-L1162 HydrophobicContact CE2-CD1 4.38Å; F1089-L1162 HydrophobicContact CE2-CD2 3.99Å; V1092-L1162 HydrophobicContact CG1-CD2 4.09Å; F1097-L1162 HydrophobicContact CE2-CD2 3.75Å; F1097-L1162 HydrophobicContact CE2-CG 3.94Å; F1097-L1162 HydrophobicContact CZ-CB 4.07Å; F1097-L1162 HydrophobicContact CZ-CD2 3.61Å; F1097-L1162 HydrophobicContact CZ-CG 3.63Å; F1105-L1162 HydrophobicContact CD2-CD1 4.19Å; F1105-L1162 HydrophobicContact CE2-CD1 4.2Å; P1138-L1162 HydrophobicContact CG-CD1 3.82Å; L1158-L1162 HydrophobicContact CD2-CB 4.44Å; L1158-L1162 HydrophobicContact CD2-CD2 4.24Å; L1158-L1162 WeakPolarHBondContact O-CB 3.2Å; L1158-L1162 PolarHBondContact O-N 3.48Å; L1162-L1164 VanDerWaalsContact C-N 3.35Å; L1162-L1164 PolarHBondContact O-N 2.84Å; L1162-A1165 PolarHBondContact O-N 3.37Å; L1162-I1166 WeakPolarHBondContact O-CG1 3.44Å; L1162-I1166 WeakPolarHBondContact O-CG2 3.04Å; L1162-I1166 PolarHBondContact O-N 2.87Å; L1162-I1166 VanDerWaalsContact O-N 3.12Å
1163S91.2Very high81.6Confident21 Ų2159.7 Ų59.715%0.14731%0.306CS..Hα-helixtrans-60.1-42.4176-172.20000112.1A1159 A1165 I1166 Q1167A1159-S1163 VanDerWaalsContact O-CB 3.27Å; A1159-S1163 WeakPolarHBondContact O-CB 3.47Å; A1159-S1163 PolarHBondContact O-N 3.09Å; S1163-A1165 PolarHBondContact O-N 3.23Å; S1163-I1166 WeakPolarHBondContact O-CG1 3.43Å; S1163-I1166 PolarHBondContact O-N 2.89Å; S1163-Q1167 WeakPolarHBondContact O-CB 3.44Å; S1163-Q1167 WeakPolarHBondContact O-CG 3.46Å; S1163-Q1167 PolarHBondContact O-N 2.8Å; S1163-Q1167 VanDerWaalsContact O-N 3.09Å; S1163-Q1167 PolarHBondContact OG-NE2 2.68Å
1164L90Very high79.5Confident66 Ų6659.5 Ų59.535%0.34630%0.298SS..Hα-helixtrans-60.4-43.7174.5-88.6154.8000113L1137 K1160 K1161 L1162 Q1167 Q1168L1137-L1164 HydrophobicContact CD2-CB 3.87Å; K1160-L1164 HydrophobicContact CG-CD1 4.11Å; K1160-L1164 WeakPolarHBondContact O-CB 3.28Å; K1160-L1164 WeakPolarHBondContact O-CD1 3.43Å; K1160-L1164 PolarHBondContact O-N 2.91Å; K1161-L1164 PolarHBondContact O-N 3.48Å; L1162-L1164 VanDerWaalsContact C-N 3.35Å; L1162-L1164 PolarHBondContact O-N 2.84Å; L1164-Q1167 PolarHBondContact O-N 2.81Å; L1164-Q1168 PolarHBondContact O-N 2.93Å
1165A87Confident77.1Confident6 Ų665.4 Ų65.45%0.0533%0.333CS..Hα-helixtrans-64.5-44.4-179.700000112.2F1108 L1137 P1138 K1161 L1162 S1163 Q1167 Q1168 T1169F1108-A1165 HydrophobicContact CE1-CB 4.5Å; F1108-A1165 HydrophobicContact CE2-CB 4.44Å; F1108-A1165 HydrophobicContact CZ-CB 4.13Å; L1137-A1165 HydrophobicContact CB-CB 4.45Å; P1138-A1165 HydrophobicContact CG-CB 3.62Å; K1161-A1165 PolarHBondContact O-N 3.26Å; L1162-A1165 PolarHBondContact O-N 3.37Å; S1163-A1165 PolarHBondContact O-N 3.23Å; A1165-Q1167 VanDerWaalsContact C-N 3.32Å; A1165-Q1167 PolarHBondContact O-N 2.93Å; A1165-Q1168 PolarHBondContact O-N 3.09Å; A1165-T1169 PolarHBondContact O-OG1 2.97Å
1166I88.7Confident76.2Confident1 Ų166 Ų661%0.00534%0.338CS..Hα-helixtrans-71.9-25.7-179.865.9171.2000112.9F1097 E1101 K1104 F1105 F1108 L1162 S1163F1097-I1166 HydrophobicContact CD2-CD1 4.19Å; F1097-I1166 HydrophobicContact CE2-CD1 3.57Å; F1097-I1166 HydrophobicContact CZ-CD1 3.84Å; E1101-I1166 HydrophobicContact CB-CD1 3.82Å; E1101-I1166 HydrophobicContact CG-CD1 4.15Å; E1101-I1166 WeakPolarHBondContact O-CD1 3.34Å; K1104-I1166 HydrophobicContact CB-CB 4.14Å; K1104-I1166 HydrophobicContact CB-CD1 4.36Å; K1104-I1166 HydrophobicContact CB-CG1 4.49Å; F1105-I1166 HydrophobicContact CB-CG2 3.98Å; F1105-I1166 HydrophobicContact CD2-CG2 4.03Å; F1108-I1166 HydrophobicContact CB-CG2 4.17Å; F1108-I1166 HydrophobicContact CD1-CG2 4.15Å; F1108-I1166 HydrophobicContact CG-CG2 4.3Å; L1162-I1166 WeakPolarHBondContact O-CG1 3.44Å; L1162-I1166 WeakPolarHBondContact O-CG2 3.04Å; L1162-I1166 PolarHBondContact O-N 2.87Å; L1162-I1166 VanDerWaalsContact O-N 3.12Å; S1163-I1166 WeakPolarHBondContact O-CG1 3.43Å; S1163-I1166 PolarHBondContact O-N 2.89Å
1167Q83.4Confident75.3Confident108 Ų10862.2 Ų62.251%0.50532%0.322SS..Hα-helixtrans-73.3-29.8177.9-78.2177.114.700113S1163 L1164 A1165 T1169S1163-Q1167 WeakPolarHBondContact O-CB 3.44Å; S1163-Q1167 WeakPolarHBondContact O-CG 3.46Å; S1163-Q1167 PolarHBondContact O-N 2.8Å; S1163-Q1167 VanDerWaalsContact O-N 3.09Å; S1163-Q1167 PolarHBondContact OG-NE2 2.68Å; L1164-Q1167 PolarHBondContact O-N 2.81Å; A1165-Q1167 VanDerWaalsContact C-N 3.32Å; A1165-Q1167 PolarHBondContact O-N 2.93Å; Q1167-T1169 VanDerWaalsContact C-N 3.28Å
1168Q73.6Confident74.4Confident155 Ų15563 Ų6372%0.72433%0.326SS*.THydrogen-bonded Turntrans-88.87.2179.6-64.4-63.9-23.500113L1164 A1165 E1170L1164-Q1168 PolarHBondContact O-N 2.93Å; A1165-Q1168 PolarHBondContact O-N 3.09Å; Q1168-E1170 PolarHBondContact O-N 3.38Å
1169T65.3Low73.3Confident36 Ų3666.7 Ų66.722%0.22135%0.345CS..  trans-91104.1179-50.60000110F1108 A1165 Q1167 G1171F1108-T1169 HydrophobicContact CB-CG2 4.1Å; F1108-T1169 HydrophobicContact CD2-CG2 4.29Å; F1108-T1169 WeakPolarHBondContact CD2-OG1 2.88Å; A1165-T1169 PolarHBondContact O-OG1 2.97Å; Q1167-T1169 VanDerWaalsContact C-N 3.28Å; T1169-G1171 PolarHBondContact O-N 3.15Å
1170E56.4Low72Confident173 Ų17369.4 Ų69.481%0.80835%0.354SS*.  trans-74.3112.9157.5-70-177.1173.200107.3Q1168Q1168-E1170 PolarHBondContact O-N 3.38Å
1171G51.7Low70.7Confident12 Ų1264.4 Ų64.412%0.12434%0.336CS..  trans-74.4-177.7173.700000112T1169T1169-G1171 PolarHBondContact O-N 3.15Å
1172F52.3Low69.2Low98 Ų9865.9 Ų65.943%0.4335%0.347SS..SBendtrans-85.1-2.6-178.3-58.6-70.5000115.2L876 G1111 T1142L876-F1172 HydrophobicContact CD1-CD2 4.36Å; L876-F1172 HydrophobicContact CD1-CE2 4.14Å; L876-F1172 HydrophobicContact CD2-CB 4.48Å; L876-F1172 HydrophobicContact CD2-CD2 4.06Å; L876-F1172 HydrophobicContact CD2-CG 4.33Å; G1111-F1172 WeakPolarHBondContact O-CD2 3.06Å; T1142-F1172 HydrophobicContact CG2-CE2 4.16Å
1173G50Low67.4Low14 Ų1471 Ų7114%0.14437%0.374CS..SBendtrans-73.7165.217900000113.3D930 V1175D930-G1173 WeakPolarHBondContact OD2-CA 3.33Å; G1173-V1175 PolarHBondContact O-N 3.17Å; G1173-V1175 VanDerWaalsContact O-N 3.13Å
1174L45.9Very low65.5Low72 Ų7275.2 Ų75.238%0.37739%0.392SS..  trans-56.4116.6172.9-70.6162.6000109.6P885 L899P885-L1174 HydrophobicContact CG-CD2 4.42Å; L899-L1174 HydrophobicContact CD1-CD1 4.02Å; L899-L1174 HydrophobicContact CD2-CD1 4.06Å; L899-L1174 HydrophobicContact CG-CD1 3.99Å
1175V41.1Very low63.2Low161 Ų16176 Ų7698%0.97640%0.397SS*.  trans-84.20170.2-179.80000109.6G1173G1173-V1175 PolarHBondContact O-N 3.17Å; G1173-V1175 VanDerWaalsContact O-N 3.13Å

Retrieved 1,175 of 1,175 residues in 2878.7 ms (Link to these results)

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