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Glutamate receptor 2

Ionotropic glutamate receptor that functions as a ligand-gated cation channel, gated by L-glutamate and glutamatergic agonists such as alpha-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid (AMPA), quisqualic acid, and kainic acid1,2,3. L-glutamate acts as an excitatory neurotransmitter at many synapses in the central nervous system and plays an important role in fast excitatory synaptic transmission4. Binding of the excitatory neurotransmitter L-glutamate induces a conformation change, leading to the opening of the cation channel, and thereby converts the chemical signal to an electrical impulse upon entry of monovalent and divalent cations such as sodium and calcium5,6. The receptor then desensitizes rapidly and enters in a transient inactive state, characterized by the presence of bound agonist (By similarity). In the presence of CACNG4 or CACNG7 or CACNG8, shows resensitization which is characterized by a delayed accumulation of current flux upon continued application of L-glutamate (By similarity). Through complex formation with NSG1, GRIP1 and STX12 controls the intracellular fate of AMPAR and the endosomal sorting of the GRIA2 subunit toward recycling and membrane targeting (By similarity).

AlphaFold DB , UniProt , Accession P42262, Species HUMAN (Homo sapiens, Human), Gene GRIA2, Length 883 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
1M41.9Very low38.9Very low243 Ų243155.5 Ų155.5100%1.19780%0.797SS**  0116.50-75.6174.4170.100107.3
2Q37.9Very low38.5Very low158 Ų158151.8 Ų151.874%0.73880%0.796SS**  cis-152.3126.4-1.8-100.1177.5-23.300108.2
3K36.8Very low38.5Very low162 Ų162149.5 Ų149.570%0.70480%0.795SS**  trans79.1106.4135.2-64.3178.9172.9-176.20118.3
4I39.6Very low38.4Very low138 Ų138148.9 Ų148.971%0.70880%0.799SS**  68.3116.175-63.5163.5000108.4
5M40Very low38.3Very low163 Ų163149.1 Ų149.180%0.80380%0.799SS**  -172.3129.476-144.3161.586.100113.4
6H38.4Very low38.1Very low145 Ų145156.5 Ų156.567%0.67181%0.813SS**  trans38.6115.2138.8-61.9-54.9000121.9
7I39.5Very low38Very low147 Ų147151.6 Ų151.675%0.75481%0.809SS**  71.1111.388.9-66.4172000113.5
8S38.7Very low37.8Very low106 Ų106151.8 Ų151.874%0.74181%0.809SS**  -172.6120.5122.530.50000113.6
9V39.6Very low37.7Very low125 Ų125152.3 Ų152.376%0.75881%0.81SS**  trans69.492.2135.7-173.10000117.2
10L36.3Very low37.6Very low156 Ų156154.8 Ų154.882%0.81781%0.814SS**  67.895.194-80.7157.4000114.7
11L38.9Very low37.2Very low167 Ų167151.5 Ų151.587%0.87482%0.818SS**  178119.9127.7-95.6148.2000111.4
12S34.2Very low36.6Very low112 Ų112146.7 Ų146.778%0.78380%0.802SS**  trans58.1106.4158.963.50000120.9
13P38.1Very low36.7Very low121 Ų121143.8 Ų143.879%0.78680%0.799SS**  trans-109.5133168.335.7-23.4000112.3
14V37.4Very low37.2Very low141 Ų141141.3 Ų141.386%0.85580%0.802SS**  trans-174.379.4140.1-177.40000106.9
15L37.1Very low38.7Very low153 Ų153138.5 Ų138.580%0.80179%0.788SS**  trans-16190166.2-140.799.5000109.5
16W35.9Very low40.9Very low267 Ų267133.3 Ų133.3100%1.01177%0.768SS**  trans178.468.4152.6-9924.4000111.4
17G36.3Very low43.4Very low73 Ų73126.9 Ų126.975%0.75374%0.738SS**  trans-146.159.316900000109.6
18L33.5Very low45.9Very low156 Ų156123.3 Ų123.382%0.81772%0.719SS**  trans-141.469.7-175.5-79.5170.2000111
19I35.7Very low48.5Very low161 Ų161118.3 Ų118.383%0.82668%0.684SS**  trans-144.470.1155.9-52.1-179.6000107.8
20F35.9Very low51.2Low201 Ų201112.4 Ų112.488%0.88265%0.648SS**SBendtrans-159110153-91-71.5000106.6V22F20-V22 PolarHBondContact O-N 2.85Å
21G29.1Very low54Low87 Ų87105 Ų10590%0.89761%0.609SS**  trans-65.8116.8-175.100000112.1S23G21-S23 PolarHBondContact O-N 3.28Å
22V30.8Very low56.7Low142 Ų14297 Ų9786%0.86157%0.567SS**  trans-79.8108.3169.8177.10000108F20 S24F20-V22 PolarHBondContact O-N 2.85Å; V22-S24 PolarHBondContact O-N 3.36Å
23S38.4Very low59.6Low97 Ų9791.8 Ų91.868%0.67853%0.53SS*.  trans-65.6124.2172.7640000110.1G21 N25G21-S23 PolarHBondContact O-N 3.28Å; S23-N25 PolarHBondContact O-N 2.73Å
24S48.6Very low62.3Low109 Ų10987.2 Ų87.276%0.76250%0.501SS*.  trans-71.4121.3-179.165.90000111.6V22 S26V22-S24 PolarHBondContact O-N 3.36Å; S24-S26 PolarHBondContact O-N 3.19Å
25N70.3Confident64.8Low80 Ų8089.3 Ų89.343%0.42849%0.493SS..  trans-80.235.4-176.3-86.8-28.7000114.2S23 E55 F56 R57 R315S23-N25 PolarHBondContact O-N 2.73Å; N25-E55 VanDerWaalsContact CG-O 3.23Å; N25-E55 PolarHBondContact ND2-O 3.33Å; N25-F56 CarbonylContact O-C 3.48Å; N25-F56 WeakPolarHBondContact O-CA 3.24Å; N25-R57 PolarHBondContact O-N 2.83Å; N25-R315 PolarHBondContact OD1-NH2 3.42Å
26S86.2Confident67.2Low53 Ų5384.8 Ų84.837%0.37148%0.483SS..EExtended strand (participates in β ladder)trans-111.6122.1-173.7169.20000112.4S24 R57 T59S24-S26 PolarHBondContact O-N 3.19Å; S26-R57 WeakPolarHBondContact CA-O 3.36Å; S26-T59 WeakPolarHBondContact OG-CB 3.27Å; S26-T59 PolarHBondContact OG-OG1 2.98Å
27I89.9Confident69.8Low10 Ų1072.5 Ų72.55%0.05144%0.439CS..EExtended strand (participates in β ladder)trans-100.7115.8178.3-57.7-180000109.1I29 F56 R57 L58 T59 Y86 F311I27-I29 HydrophobicContact CG2-CG2 4.33Å; I27-F56 HydrophobicContact CD1-CB 4.1Å; I27-F56 HydrophobicContact CD1-CD2 3.58Å; I27-F56 HydrophobicContact CD1-CE2 4.24Å; I27-F56 HydrophobicContact CD1-CG 3.92Å; I27-F56 HydrophobicContact CG1-CB 4.41Å; I27-F56 HydrophobicContact CG1-CD2 4.4Å; I27-R57 PolarHBondContact N-O 2.86Å; I27-L58 HydrophobicContact CB-CD2 4.14Å; I27-L58 HydrophobicContact CG2-CD2 4.24Å; I27-T59 PolarHBondContact O-N 2.97Å; I27-Y86 HydrophobicContact CB-CD2 4.48Å; I27-Y86 HydrophobicContact CG2-CD2 3.56Å; I27-Y86 HydrophobicContact CG2-CE2 4.27Å; I27-Y86 HydrophobicContact CG2-CG 4.17Å; I27-F311 HydrophobicContact CD1-CB 3.83Å; I27-F311 HydrophobicContact CD1-CD1 3.84Å; I27-F311 HydrophobicContact CD1-CD2 4.26Å; I27-F311 HydrophobicContact CD1-CE1 4.5Å; I27-F311 HydrophobicContact CD1-CG 3.72Å; I27-F311 HydrophobicContact CG2-CD1 4.32Å; I27-F311 HydrophobicContact CG2-CD2 4.37Å; I27-F311 HydrophobicContact CG2-CE1 3.97Å; I27-F311 HydrophobicContact CG2-CE2 4.02Å; I27-F311 HydrophobicContact CG2-CZ 3.81Å
28Q92.5Very high72.5Confident73 Ų7373.5 Ų73.534%0.34143%0.427SS..EExtended strand (participates in β ladder)trans-77.4125.2178.2-69.5175-23.400111.4R83 V85 Y86Q28-R83 PolarHBondContact OE1-O 3.4Å; Q28-V85 HydrophobicContact CB-CG1 4.46Å; Q28-V85 WeakPolarHBondContact O-CA 3.24Å; Q28-Y86 WeakPolarHBondContact O-CD2 3.14Å; Q28-Y86 PolarHBondContact O-N 2.95Å
29I94.6Very high75.4Confident1 Ų166.9 Ų66.91%0.00539%0.392CS..EExtended strand (participates in β ladder)trans-124.7145.4175.864.1175.1000110.1I27 F44 M48 L58 T59 P60 H61 A87 M307 F311I27-I29 HydrophobicContact CG2-CG2 4.33Å; I29-F44 HydrophobicContact CD1-CZ 4.11Å; I29-M48 HydrophobicContact CD1-SD 4.31Å; I29-L58 HydrophobicContact CD1-CB 4.05Å; I29-L58 HydrophobicContact CD1-CD1 4.36Å; I29-L58 HydrophobicContact CG2-CD2 4.23Å; I29-T59 PolarHBondContact N-O 3.31Å; I29-P60 HydrophobicContact CD1-CB 4.23Å; I29-P60 HydrophobicContact CG1-CB 4.01Å; I29-P60 CarbonylContact O-C 3.6Å; I29-P60 WeakPolarHBondContact O-CA 3.5Å; I29-H61 PolarHBondContact O-N 2.91Å; I29-A87 WeakPolarHBondContact CA-O 3.32Å; I29-M307 HydrophobicContact CB-CE 4.11Å; I29-M307 HydrophobicContact CD1-CE 3.77Å; I29-M307 HydrophobicContact CG2-CE 3.87Å; I29-F311 HydrophobicContact CG2-CE2 4.31Å
30G95.2Very high78.2Confident0 Ų060 Ų600%036%0.356CS..EExtended strand (participates in β ladder)trans-91.6144.6173.500000111.4Q80 A87 I88 F89G30-Q80 VanDerWaalsContact CA-OE1 3.22Å; G30-A87 PolarHBondContact N-O 3.41Å; G30-I88 CarbonylContact O-C 3.26Å; G30-I88 WeakPolarHBondContact O-CA 3.17Å; G30-F89 PolarHBondContact O-N 2.89Å
31G95.5Very high81.1Confident0 Ų053.9 Ų53.90%033%0.328CS..EExtended strand (participates in β ladder)trans-127.7115175.900000111.3H61 I62 D63 F89G31-H61 PolarHBondContact N-O 2.98Å; G31-I62 CarbonylContact O-C 3.59Å; G31-I62 WeakPolarHBondContact O-CA 3.27Å; G31-D63 PolarHBondContact O-N 3.43Å; G31-F89 CarbonylContact C-O 3.59Å; G31-F89 VanDerWaalsContact CA-O 3.25Å; G31-F89 WeakPolarHBondContact CA-O 3.49Å
32L95.9Very high84.2Confident1 Ų149.8 Ų49.81%0.00529%0.285CS..EExtended strand (participates in β ladder)trans-106.8105.2176-82.968.9000109.8L65 V73 A76 Q80 I88 F89 G90 F91L32-L65 HydrophobicContact CB-CD2 4.41Å; L32-L65 HydrophobicContact CD2-CD2 3.97Å; L32-L65 HydrophobicContact CG-CD2 3.87Å; L32-V73 HydrophobicContact CD2-CG1 4.47Å; L32-A76 HydrophobicContact CD2-CB 4.41Å; L32-A76 HydrophobicContact CG-CB 4.47Å; L32-Q80 HydrophobicContact CD1-CG 4.17Å; L32-I88 HydrophobicContact CD1-CG2 3.62Å; L32-F89 PolarHBondContact N-O 2.95Å; L32-G90 WeakPolarHBondContact O-CA 3.39Å; L32-F91 PolarHBondContact O-N 2.68Å; L32-F91 VanDerWaalsContact O-N 3.16Å
33F95.8Very high87.3Confident2 Ų243 Ų431%0.00924%0.244CC..EExtended strand (participates in β ladder)trans-110.9133.1-178-70.9-94.8000111.2Y41 F44 I62 D63 N64 L65 F89 F91F33-Y41 HydrophobicContact CD1-CD2 4.14Å; F33-Y41 HydrophobicContact CD2-CD2 4.09Å; F33-Y41 HydrophobicContact CE1-CD2 4.04Å; F33-Y41 HydrophobicContact CE2-CD2 4Å; F33-Y41 HydrophobicContact CE2-CE2 4.45Å; F33-Y41 HydrophobicContact CG-CD2 4.17Å; F33-Y41 AromaticContact CZ-CD2 3.97Å; F33-Y41 HydrophobicContact CZ-CD2 3.97Å; F33-F44 HydrophobicContact CE1-CB 4.16Å; F33-F44 HydrophobicContact CE1-CG 4.42Å; F33-F44 HydrophobicContact CE2-CD1 4.41Å; F33-F44 HydrophobicContact CE2-CG 4.49Å; F33-F44 HydrophobicContact CZ-CB 3.85Å; F33-F44 AromaticContact CZ-CD1 3.94Å; F33-F44 HydrophobicContact CZ-CD1 3.94Å; F33-F44 AromaticContact CZ-CD2 3.92Å; F33-F44 HydrophobicContact CZ-CD2 3.92Å; F33-F44 HydrophobicContact CZ-CE1 4.49Å; F33-F44 HydrophobicContact CZ-CE2 4.46Å; F33-F44 AromaticContact CZ-CG 3.63Å; F33-F44 HydrophobicContact CZ-CG 3.63Å; F33-I62 HydrophobicContact CD2-CD1 4.28Å; F33-I62 HydrophobicContact CD2-CG2 3.97Å; F33-I62 HydrophobicContact CE2-CD1 3.8Å; F33-D63 PolarHBondContact N-O 3.3Å; F33-N64 WeakPolarHBondContact O-CA 3.26Å; F33-L65 PolarHBondContact O-N 3.49Å; F33-F89 HydrophobicContact CE1-CD1 4.35Å; F33-F89 AromaticContact CE1-CE1 3.77Å; F33-F89 HydrophobicContact CE1-CE1 3.77Å; F33-F89 HydrophobicContact CE2-CD1 4.18Å; F33-F89 HydrophobicContact CE2-CE1 4.41Å; F33-F89 AromaticContact CZ-CD1 3.69Å; F33-F89 HydrophobicContact CZ-CD1 3.69Å; F33-F89 AromaticContact CZ-CE1 3.55Å; F33-F89 HydrophobicContact CZ-CE1 3.55Å; F33-F91 HydrophobicContact CD1-CE2 4.06Å; F33-F91 HydrophobicContact CE1-CE2 4.22Å
34P93.8Very high90.1Very high25 Ų2538.5 Ų38.516%0.16221%0.212CC..EExtended strand (participates in β ladder)trans-61146.5169.4-16.426.4000111.2G36 A37 L65 V67 F91P34-G36 PolarHBondContact O-N 2.95Å; P34-A37 HydrophobicContact CB-CB 4.16Å; P34-A37 HydrophobicContact CG-CB 4.12Å; P34-A37 WeakPolarHBondContact O-CB 3.32Å; P34-A37 PolarHBondContact O-N 3.32Å; P34-L65 WeakPolarHBondContact CA-O 3.18Å; P34-V67 HydrophobicContact CB-CG1 4.12Å; P34-V67 HydrophobicContact CB-CG2 4.16Å; P34-V67 HydrophobicContact CG-CG1 3.78Å; P34-V67 HydrophobicContact CG-CG2 4.24Å; P34-F91 VanDerWaalsContact CD-CD2 3.44Å; P34-F91 HydrophobicContact CG-CB 3.65Å; P34-F91 HydrophobicContact CG-CD1 4.42Å; P34-F91 HydrophobicContact CG-CD2 4.08Å; P34-F91 HydrophobicContact CG-CG 3.81Å
35R89.5Confident92.3Very high184 Ų18436.8 Ų36.869%0.69419%0.189SC*.THydrogen-bonded Turntrans-61.3123.6166.2-68.2-177.1176.2178-2.1109.7L65R35-L65 PolarHBondContact N-O 3.3Å
36G87Confident93.4Very high58 Ų5833.2 Ų33.260%0.59817%0.17SC*.THydrogen-bonded Turntrans96.9-3.6-177.700000115.1P34 D38P34-G36 PolarHBondContact O-N 2.95Å; G36-D38 PolarHBondContact O-N 3.26Å
37A92Very high93.8Very high10 Ų1030.7 Ų30.78%0.08315%0.153CC..  trans-81.148.3173.400000112P34 E40 Y41P34-A37 HydrophobicContact CB-CB 4.16Å; P34-A37 HydrophobicContact CG-CB 4.12Å; P34-A37 WeakPolarHBondContact O-CB 3.32Å; P34-A37 PolarHBondContact O-N 3.32Å; A37-E40 WeakPolarHBondContact CA-OE2 3.01Å; A37-E40 HydrophobicContact CB-CB 4.22Å; A37-E40 PolarHBondContact O-N 3.43Å; A37-Y41 WeakPolarHBondContact O-CB 3.43Å; A37-Y41 PolarHBondContact O-N 3.4Å
38D93Very high93.9Very high93 Ų9331.8 Ų31.850%0.49716%0.158SC..Hα-helixtrans-70-37-169.7-62.7-31.6000112.2G36 S42 P286G36-D38 PolarHBondContact O-N 3.26Å; D38-S42 WeakPolarHBondContact O-CB 3.22Å; D38-S42 PolarHBondContact O-N 3.27Å; D38-S42 PolarHBondContact O-OG 3.31Å; D38-P286 HydrophobicContact CB-CB 4.14Å; D38-P286 HydrophobicContact CB-CG 3.94Å
39Q93.8Very high93.9Very high18 Ų1832.3 Ų32.38%0.08417%0.166CC..Hα-helixtrans-70.9-39.6177.1-166-177.641.100111.1S42 A43 W277 G287 S297Q39-S42 WeakPolarHBondContact O-CB 3.35Å; Q39-S42 PolarHBondContact O-N 3.22Å; Q39-A43 WeakPolarHBondContact O-CB 3.36Å; Q39-A43 PolarHBondContact O-N 3.12Å; Q39-W277 HydrophobicContact CG-CH2 4.17Å; Q39-W277 HydrophobicContact CG-CZ2 3.8Å; Q39-G287 PolarHBondContact NE2-O 3.24Å; Q39-S297 WeakPolarHBondContact CG-OG 3.47Å
40E95.1Very high93.8Very high15 Ų1536.5 Ų36.57%0.0719%0.185CC..Hα-helixtrans-64.3-43.1176.7-67.676.3-17600110.9A37 A43 F44 F91 T296 S297 T300A37-E40 WeakPolarHBondContact CA-OE2 3.01Å; A37-E40 HydrophobicContact CB-CB 4.22Å; A37-E40 PolarHBondContact O-N 3.43Å; E40-A43 PolarHBondContact O-N 2.89Å; E40-F44 WeakPolarHBondContact O-CB 2.9Å; E40-F44 PolarHBondContact O-N 3.26Å; E40-F91 HydrophobicContact CB-CE2 4.29Å; E40-F91 HydrophobicContact CB-CZ 3.83Å; E40-F91 HydrophobicContact CG-CE1 4.27Å; E40-F91 HydrophobicContact CG-CZ 3.7Å; E40-T296 WeakPolarHBondContact OE1-CB 3.42Å; E40-T296 PolarHBondContact OE1-OG1 3.05Å; E40-S297 WeakPolarHBondContact CA-OG 3.45Å; E40-S297 WeakPolarHBondContact CG-OG 3.41Å; E40-S297 PolarHBondContact N-OG 3.47Å; E40-T300 VanDerWaalsContact O-CG2 3.29Å; E40-T300 WeakPolarHBondContact O-CG2 3.27Å
41Y95.6Very high93.7Very high74 Ų7438.3 Ų38.329%0.2919%0.193SC..Hα-helixtrans-65.5-38.6174.5-177.3-113.2000112.3F33 A37 F44 R45 I62F33-Y41 HydrophobicContact CD1-CD2 4.14Å; F33-Y41 HydrophobicContact CD2-CD2 4.09Å; F33-Y41 HydrophobicContact CE1-CD2 4.04Å; F33-Y41 HydrophobicContact CE2-CD2 4Å; F33-Y41 HydrophobicContact CE2-CE2 4.45Å; F33-Y41 HydrophobicContact CG-CD2 4.17Å; F33-Y41 AromaticContact CZ-CD2 3.97Å; F33-Y41 HydrophobicContact CZ-CD2 3.97Å; A37-Y41 WeakPolarHBondContact O-CB 3.43Å; A37-Y41 PolarHBondContact O-N 3.4Å; Y41-F44 WeakPolarHBondContact O-CB 3.24Å; Y41-F44 PolarHBondContact O-N 3.03Å; Y41-R45 HydrophobicContact CE1-CG 4.28Å; Y41-R45 PolarHBondContact O-N 3.27Å; Y41-I62 HydrophobicContact CD2-CG2 4.43Å; Y41-I62 HydrophobicContact CE2-CB 4.42Å; Y41-I62 HydrophobicContact CE2-CD1 3.89Å; Y41-I62 HydrophobicContact CE2-CG1 3.82Å; Y41-I62 HydrophobicContact CE2-CG2 3.82Å
42S95.3Very high93.4Very high0 Ų041.5 Ų41.50%022%0.216CC..Hα-helixtrans-61.2-46.3172.8-660000111.5D38 Q39 F44 R45 V46 P286D38-S42 WeakPolarHBondContact O-CB 3.22Å; D38-S42 PolarHBondContact O-N 3.27Å; D38-S42 PolarHBondContact O-OG 3.31Å; Q39-S42 WeakPolarHBondContact O-CB 3.35Å; Q39-S42 PolarHBondContact O-N 3.22Å; S42-F44 VanDerWaalsContact C-N 3.32Å; S42-F44 PolarHBondContact O-N 3.18Å; S42-R45 PolarHBondContact O-N 2.82Å; S42-V46 WeakPolarHBondContact O-CG2 3.23Å; S42-V46 PolarHBondContact O-N 3.29Å; S42-P286 VanDerWaalsContact OG-CD 3.29Å; S42-P286 WeakPolarHBondContact OG-CD 3.32Å; S42-P286 PolarHBondContact OG-O 2.76Å
43A95.7Very high92.9Very high0 Ų042.4 Ų42.40%022%0.221CC..Hα-helixtrans-62.4-37.9175.500000112.3Q39 E40 V46 G47 W277 S297Q39-A43 WeakPolarHBondContact O-CB 3.36Å; Q39-A43 PolarHBondContact O-N 3.12Å; E40-A43 PolarHBondContact O-N 2.89Å; A43-V46 PolarHBondContact O-N 3.45Å; A43-G47 PolarHBondContact O-N 3.49Å; A43-W277 HydrophobicContact CB-CH2 4.29Å; A43-W277 HydrophobicContact CB-CZ3 4.3Å; A43-S297 WeakPolarHBondContact CB-O 3.44Å
44F96.2Very high92.3Very high2 Ų248 Ų481%0.00926%0.261CS..Hα-helixtrans-59.9-47.4172.9-177.5-99.2000111.5I29 F33 E40 Y41 S42 V46 G47 M48 P60 I62 F89 T300 V304I29-F44 HydrophobicContact CD1-CZ 4.11Å; F33-F44 HydrophobicContact CE1-CB 4.16Å; F33-F44 HydrophobicContact CE1-CG 4.42Å; F33-F44 HydrophobicContact CE2-CD1 4.41Å; F33-F44 HydrophobicContact CE2-CG 4.49Å; F33-F44 HydrophobicContact CZ-CB 3.85Å; F33-F44 AromaticContact CZ-CD1 3.94Å; F33-F44 HydrophobicContact CZ-CD1 3.94Å; F33-F44 AromaticContact CZ-CD2 3.92Å; F33-F44 HydrophobicContact CZ-CD2 3.92Å; F33-F44 HydrophobicContact CZ-CE1 4.49Å; F33-F44 HydrophobicContact CZ-CE2 4.46Å; F33-F44 AromaticContact CZ-CG 3.63Å; F33-F44 HydrophobicContact CZ-CG 3.63Å; E40-F44 WeakPolarHBondContact O-CB 2.9Å; E40-F44 PolarHBondContact O-N 3.26Å; Y41-F44 WeakPolarHBondContact O-CB 3.24Å; Y41-F44 PolarHBondContact O-N 3.03Å; S42-F44 VanDerWaalsContact C-N 3.32Å; S42-F44 PolarHBondContact O-N 3.18Å; F44-V46 PolarHBondContact O-N 3.48Å; F44-G47 PolarHBondContact O-N 3.33Å; F44-M48 HydrophobicContact CD1-CG 4.18Å; F44-M48 HydrophobicContact CE1-CG 3.89Å; F44-M48 HydrophobicContact CE1-SD 4.39Å; F44-M48 HydrophobicContact CZ-CG 4.16Å; F44-M48 HydrophobicContact CZ-SD 4.17Å; F44-M48 VanDerWaalsContact O-CG 3.24Å; F44-M48 WeakPolarHBondContact O-CG 3.09Å; F44-M48 PolarHBondContact O-N 2.8Å; F44-P60 HydrophobicContact CE1-CB 3.95Å; F44-P60 HydrophobicContact CE1-CG 4.38Å; F44-P60 HydrophobicContact CZ-CB 4.23Å; F44-I62 HydrophobicContact CE1-CD1 4.01Å; F44-F89 AromaticContact CD2-CD1 3.86Å; F44-F89 HydrophobicContact CD2-CD1 3.86Å; F44-F89 AromaticContact CD2-CE1 3.98Å; F44-F89 HydrophobicContact CD2-CE1 3.98Å; F44-F89 HydrophobicContact CD2-CG 4.5Å; F44-F89 HydrophobicContact CE2-CB 4.4Å; F44-F89 AromaticContact CE2-CD1 3.81Å; F44-F89 HydrophobicContact CE2-CD1 3.81Å; F44-F89 HydrophobicContact CE2-CE1 4.4Å; F44-F89 HydrophobicContact CE2-CG 4.15Å; F44-T300 HydrophobicContact CB-CG2 3.67Å; F44-T300 HydrophobicContact CD2-CG2 4.19Å; F44-T300 HydrophobicContact CG-CG2 4.43Å; F44-V304 HydrophobicContact CD2-CG2 3.44Å; F44-V304 VanDerWaalsContact CD2-CG2 3.44Å; F44-V304 HydrophobicContact CE2-CG2 3.65Å; F44-V304 HydrophobicContact CG-CG2 4.26Å
45R94.9Very high91.9Very high74 Ų7451 Ų5128%0.27927%0.273SS..Hα-helixtrans-62.2-42.2176.3-73.8178.962.7-145.7-4.8112.2Y41 S42 M48 V49 E284 Y285Y41-R45 HydrophobicContact CE1-CG 4.28Å; Y41-R45 PolarHBondContact O-N 3.27Å; S42-R45 PolarHBondContact O-N 2.82Å; R45-M48 PolarHBondContact O-N 2.94Å; R45-V49 PolarHBondContact O-N 2.89Å; R45-E284 PolarHBondContact NH1-O 2.82Å; R45-E284 IonicContact NH2-OE1 3.03Å; R45-E284 PolarHBondContact NH2-OE1 3.1Å; R45-Y285 HydrophobicContact CB-CE1 3.85Å
46V94.8Very high91.8Very high5 Ų542.5 Ų42.53%0.0324%0.241CC..Hα-helixtrans-62-44.5176.3173.30000110.7S42 A43 F44 M48 V49 Q50 F273 W277 L280 Y285 Y301S42-V46 WeakPolarHBondContact O-CG2 3.23Å; S42-V46 PolarHBondContact O-N 3.29Å; A43-V46 PolarHBondContact O-N 3.45Å; F44-V46 PolarHBondContact O-N 3.48Å; V46-M48 VanDerWaalsContact C-N 3.35Å; V46-M48 PolarHBondContact O-N 3.32Å; V46-V49 PolarHBondContact O-N 3.17Å; V46-Q50 WeakPolarHBondContact O-CB 3.36Å; V46-Q50 PolarHBondContact O-N 2.57Å; V46-F273 HydrophobicContact CG1-CE2 4.19Å; V46-W277 HydrophobicContact CG2-CE3 4.45Å; V46-W277 HydrophobicContact CG2-CZ3 4.08Å; V46-L280 HydrophobicContact CG2-CD1 3.66Å; V46-Y285 HydrophobicContact CG2-CD1 4Å; V46-Y285 HydrophobicContact CG2-CE1 3.78Å; V46-Y301 HydrophobicContact CG1-CD2 4.42Å; V46-Y301 HydrophobicContact CG1-CE2 4.21Å
47G94.2Very high92Very high0 Ų048 Ų480%024%0.244CC..Hα-helixtrans-60.3-42174.900000112.7A43 F44 V49 Q50 F51A43-G47 PolarHBondContact O-N 3.49Å; F44-G47 PolarHBondContact O-N 3.33Å; G47-V49 VanDerWaalsContact C-N 3.29Å; G47-V49 PolarHBondContact O-N 2.92Å; G47-Q50 PolarHBondContact O-N 3.06Å; G47-F51 WeakPolarHBondContact O-CD2 3.44Å; G47-F51 PolarHBondContact O-N 3.49Å
48M92.3Very high92Very high32 Ų3248.7 Ų48.716%0.15825%0.246CC..Hα-helixtrans-62.2-34.6178.5-74.2-71.8-63.900113.1I29 F44 R45 V46 S52 L58 P60 V304I29-M48 HydrophobicContact CD1-SD 4.31Å; F44-M48 HydrophobicContact CD1-CG 4.18Å; F44-M48 HydrophobicContact CE1-CG 3.89Å; F44-M48 HydrophobicContact CE1-SD 4.39Å; F44-M48 HydrophobicContact CZ-CG 4.16Å; F44-M48 HydrophobicContact CZ-SD 4.17Å; F44-M48 VanDerWaalsContact O-CG 3.24Å; F44-M48 WeakPolarHBondContact O-CG 3.09Å; F44-M48 PolarHBondContact O-N 2.8Å; R45-M48 PolarHBondContact O-N 2.94Å; V46-M48 VanDerWaalsContact C-N 3.35Å; V46-M48 PolarHBondContact O-N 3.32Å; M48-S52 WeakPolarHBondContact O-CB 3.31Å; M48-S52 PolarHBondContact O-N 3.15Å; M48-L58 HydrophobicContact CE-CB 3.42Å; M48-L58 VanDerWaalsContact CE-CB 3.42Å; M48-L58 WeakPolarHBondContact CE-O 3.37Å; M48-L58 HydrophobicContact SD-CB 3.89Å; M48-L58 HydrophobicContact SD-CD1 3.9Å; M48-P60 HydrophobicContact CE-CG 3.94Å; M48-V304 HydrophobicContact CG-CG1 4.17Å; M48-V304 HydrophobicContact SD-CG1 3.89Å
49V92.7Very high92Very high85 Ų8546.5 Ų46.552%0.51524%0.236SC..Hα-helixtrans-75.8-44.7174.1175.60000110.6R45 V46 G47 S52R45-V49 PolarHBondContact O-N 2.89Å; V46-V49 PolarHBondContact O-N 3.17Å; G47-V49 VanDerWaalsContact C-N 3.29Å; G47-V49 PolarHBondContact O-N 2.92Å; V49-S52 WeakPolarHBondContact O-CB 3.44Å; V49-S52 PolarHBondContact O-N 2.57Å
50Q92.5Very high92Very high88 Ų8848 Ų4841%0.41125%0.247SC..Hα-helixtrans-65.8-43.2-175179.762.21500113.2V46 G47 Y301V46-Q50 WeakPolarHBondContact O-CB 3.36Å; V46-Q50 PolarHBondContact O-N 2.57Å; G47-Q50 PolarHBondContact O-N 3.06Å; Q50-Y301 HydrophobicContact CB-CE2 4.27Å; Q50-Y301 HydrophobicContact CG-CE2 4.39Å; Q50-Y301 WeakPolarHBondContact CG-OH 3.31Å
51F92.9Very high91.9Very high38 Ų3849.4 Ų49.417%0.16725%0.254CS..THydrogen-bonded Turntrans-95.77.8-176.9-56-62.5000112.7G47 T53 Y301 V304 Q305 T308G47-F51 WeakPolarHBondContact O-CD2 3.44Å; G47-F51 PolarHBondContact O-N 3.49Å; F51-T53 PolarHBondContact O-N 3Å; F51-Y301 HydrophobicContact CE2-CD1 4.18Å; F51-Y301 HydrophobicContact CE2-CD2 4.26Å; F51-Y301 AromaticContact CE2-CE1 3.76Å; F51-Y301 HydrophobicContact CE2-CE1 3.76Å; F51-Y301 AromaticContact CE2-CE2 3.83Å; F51-Y301 HydrophobicContact CE2-CE2 3.83Å; F51-Y301 HydrophobicContact CE2-CG 4.44Å; F51-Y301 AromaticContact CE2-CZ 3.58Å; F51-Y301 HydrophobicContact CZ-CD1 4.36Å; F51-Y301 AromaticContact CZ-CE1 3.58Å; F51-Y301 HydrophobicContact CZ-CE1 3.58Å; F51-Y301 HydrophobicContact CZ-CE2 4.23Å; F51-Y301 AromaticContact CZ-CZ 3.52Å; F51-V304 HydrophobicContact CD2-CB 4.35Å; F51-V304 HydrophobicContact CD2-CG1 4.2Å; F51-Q305 HydrophobicContact CD1-CB 4.3Å; F51-Q305 HydrophobicContact CD1-CG 4.03Å; F51-Q305 HydrophobicContact CD2-CB 3.96Å; F51-Q305 HydrophobicContact CE1-CB 3.97Å; F51-Q305 HydrophobicContact CE1-CG 3.62Å; F51-Q305 HydrophobicContact CE2-CB 3.6Å; F51-Q305 HydrophobicContact CE2-CG 4.22Å; F51-Q305 HydrophobicContact CG-CB 4.3Å; F51-Q305 HydrophobicContact CG-CG 4.48Å; F51-Q305 HydrophobicContact CZ-CB 3.6Å; F51-Q305 HydrophobicContact CZ-CG 3.72Å; F51-T308 HydrophobicContact CB-CG2 4.28Å; F51-T308 WeakPolarHBondContact O-CG2 3.33Å
52S89.4Confident91.9Very high68 Ų6848.1 Ų48.148%0.47625%0.251SS..  trans-58.5134.3175.8-1570000111M48 V49M48-S52 WeakPolarHBondContact O-CB 3.31Å; M48-S52 PolarHBondContact O-N 3.15Å; V49-S52 WeakPolarHBondContact O-CB 3.44Å; V49-S52 PolarHBondContact O-N 2.57Å
53T85.3Confident91.8Very high19 Ų1949.9 Ų49.912%0.11726%0.26CS..  trans-119.7154178.8177.40000111F51 E55 F56F51-T53 PolarHBondContact O-N 3Å; T53-E55 HydrophobicContact CG2-CB 4.27Å; T53-E55 PolarHBondContact O-N 2.86Å; T53-E55 PolarHBondContact OG1-N 3.02Å; T53-F56 HydrophobicContact CG2-CD1 3.72Å; T53-F56 HydrophobicContact CG2-CD2 4.11Å; T53-F56 HydrophobicContact CG2-CE1 3.57Å; T53-F56 HydrophobicContact CG2-CE2 3.97Å; T53-F56 HydrophobicContact CG2-CG 3.99Å; T53-F56 HydrophobicContact CG2-CZ 3.69Å; T53-F56 WeakPolarHBondContact CG2-O 3.4Å
54S83.2Confident91.7Very high120 Ų12054.7 Ų54.784%0.83929%0.286SS*.SBendtrans-71.2-20.4173.151.70000112.7
55E83.9Confident91.6Very high89 Ų8955.2 Ų55.242%0.41629%0.289SS..SBendtrans-71-47.4-178-63.917816500111.9N25 T53 R315N25-E55 VanDerWaalsContact CG-O 3.23Å; N25-E55 PolarHBondContact ND2-O 3.33Å; T53-E55 HydrophobicContact CG2-CB 4.27Å; T53-E55 PolarHBondContact O-N 2.86Å; T53-E55 PolarHBondContact OG1-N 3.02Å; E55-R315 VanDerWaalsContact C-NH1 3.33Å; E55-R315 PolarHBondContact O-NH1 3.07Å
56F88.6Confident91.4Very high4 Ų457 Ų572%0.01830%0.301CS..  trans-149.3153.8-179.860.2-88.2000109.9N25 I27 T53 L58 T308 F311 R312N25-F56 CarbonylContact O-C 3.48Å; N25-F56 WeakPolarHBondContact O-CA 3.24Å; I27-F56 HydrophobicContact CD1-CB 4.1Å; I27-F56 HydrophobicContact CD1-CD2 3.58Å; I27-F56 HydrophobicContact CD1-CE2 4.24Å; I27-F56 HydrophobicContact CD1-CG 3.92Å; I27-F56 HydrophobicContact CG1-CB 4.41Å; I27-F56 HydrophobicContact CG1-CD2 4.4Å; T53-F56 HydrophobicContact CG2-CD1 3.72Å; T53-F56 HydrophobicContact CG2-CD2 4.11Å; T53-F56 HydrophobicContact CG2-CE1 3.57Å; T53-F56 HydrophobicContact CG2-CE2 3.97Å; T53-F56 HydrophobicContact CG2-CG 3.99Å; T53-F56 HydrophobicContact CG2-CZ 3.69Å; T53-F56 WeakPolarHBondContact CG2-O 3.4Å; F56-L58 HydrophobicContact CD2-CD2 4.42Å; F56-L58 HydrophobicContact CE2-CD2 4.29Å; F56-T308 HydrophobicContact CE2-CG2 4.24Å; F56-T308 HydrophobicContact CZ-CG2 4.02Å; F56-T308 WeakPolarHBondContact CZ-O 3.47Å; F56-F311 HydrophobicContact CD2-CB 4.45Å; F56-F311 HydrophobicContact CE1-CB 4.49Å; F56-F311 HydrophobicContact CE2-CB 3.81Å; F56-F311 HydrophobicContact CZ-CB 3.84Å; F56-R312 HydrophobicContact CE1-CB 4.02Å; F56-R312 HydrophobicContact CZ-CB 4.16Å
57R90.2Very high91.3Very high175 Ų17558 Ų5866%0.6631%0.307SS*.EExtended strand (participates in β ladder)trans-117.2136.5173.2-68.9-175.7174.9-175.9-1.5110.1N25 S26 I27N25-R57 PolarHBondContact O-N 2.83Å; S26-R57 WeakPolarHBondContact CA-O 3.36Å; I27-R57 PolarHBondContact N-O 2.86Å
58L92Very high91Very high23 Ų2360.4 Ų60.412%0.1233%0.326CS..EExtended strand (participates in β ladder)trans-79.5128.4170.1-62.2178.6000108.3I27 I29 M48 F56 P60 F311I27-L58 HydrophobicContact CB-CD2 4.14Å; I27-L58 HydrophobicContact CG2-CD2 4.24Å; I29-L58 HydrophobicContact CD1-CB 4.05Å; I29-L58 HydrophobicContact CD1-CD1 4.36Å; I29-L58 HydrophobicContact CG2-CD2 4.23Å; M48-L58 HydrophobicContact CE-CB 3.42Å; M48-L58 VanDerWaalsContact CE-CB 3.42Å; M48-L58 WeakPolarHBondContact CE-O 3.37Å; M48-L58 HydrophobicContact SD-CB 3.89Å; M48-L58 HydrophobicContact SD-CD1 3.9Å; F56-L58 HydrophobicContact CD2-CD2 4.42Å; F56-L58 HydrophobicContact CE2-CD2 4.29Å; L58-P60 WeakPolarHBondContact O-CD 3.39Å; L58-F311 HydrophobicContact CD2-CD2 3.77Å; L58-F311 HydrophobicContact CD2-CE2 4.03Å
59T92.8Very high91.1Very high48 Ų4862.3 Ų62.329%0.29434%0.337SS..EExtended strand (participates in β ladder)trans-113.999.7179.5-630000108.4S26 I27 I29S26-T59 WeakPolarHBondContact OG-CB 3.27Å; S26-T59 PolarHBondContact OG-OG1 2.98Å; I27-T59 PolarHBondContact O-N 2.97Å; I29-T59 PolarHBondContact N-O 3.31Å
60P93.9Very high91.2Very high48 Ų4860 Ų6031%0.31233%0.325SS..EExtended strand (participates in β ladder)trans-83.9131.2-174.132.5-33000112.2I29 F44 M48 L58 I62I29-P60 HydrophobicContact CD1-CB 4.23Å; I29-P60 HydrophobicContact CG1-CB 4.01Å; I29-P60 CarbonylContact O-C 3.6Å; I29-P60 WeakPolarHBondContact O-CA 3.5Å; F44-P60 HydrophobicContact CE1-CB 3.95Å; F44-P60 HydrophobicContact CE1-CG 4.38Å; F44-P60 HydrophobicContact CZ-CB 4.23Å; M48-P60 HydrophobicContact CE-CG 3.94Å; L58-P60 WeakPolarHBondContact O-CD 3.39Å; P60-I62 HydrophobicContact CB-CD1 3.88Å; P60-I62 HydrophobicContact CB-CG1 4.43Å
61H94.8Very high91.3Very high46 Ų4663 Ų6321%0.21334%0.337CS..EExtended strand (participates in β ladder)trans-102.8106167.4-69.4-63.9000109.1I29 G31 Q80 R83I29-H61 PolarHBondContact O-N 2.91Å; G31-H61 PolarHBondContact N-O 2.98Å; H61-Q80 PolarHBondContact O-NE2 2.81Å; H61-R83 PolarHBondContact ND1-NH1 3.48Å
62I94.5Very high91.4Very high46 Ų4662.6 Ų62.624%0.23634%0.34CS..EExtended strand (participates in β ladder)trans-94.5127.3-171.4-53.4-60.6000110.8G31 F33 Y41 F44 P60G31-I62 CarbonylContact O-C 3.59Å; G31-I62 WeakPolarHBondContact O-CA 3.27Å; F33-I62 HydrophobicContact CD2-CD1 4.28Å; F33-I62 HydrophobicContact CD2-CG2 3.97Å; F33-I62 HydrophobicContact CE2-CD1 3.8Å; Y41-I62 HydrophobicContact CD2-CG2 4.43Å; Y41-I62 HydrophobicContact CE2-CB 4.42Å; Y41-I62 HydrophobicContact CE2-CD1 3.89Å; Y41-I62 HydrophobicContact CE2-CG1 3.82Å; Y41-I62 HydrophobicContact CE2-CG2 3.82Å; F44-I62 HydrophobicContact CE1-CD1 4.01Å; P60-I62 HydrophobicContact CB-CD1 3.88Å; P60-I62 HydrophobicContact CB-CG1 4.43Å
63D94Very high91.7Very high37 Ų3759.5 Ų59.520%0.19832%0.319CS..EExtended strand (participates in β ladder)trans-115.1117.3169.8-69.5-40.9000109.6G31 F33 L65 A76 Q80G31-D63 PolarHBondContact O-N 3.43Å; F33-D63 PolarHBondContact N-O 3.3Å; D63-L65 HydrophobicContact CB-CD2 4.41Å; D63-A76 HydrophobicContact CB-CB 4.27Å; D63-Q80 WeakPolarHBondContact OD2-CG 3.34Å; D63-Q80 PolarHBondContact OD2-NE2 3.47Å
64N93.3Very high92.1Very high102 Ų10260.3 Ų60.355%0.54532%0.323SS..EExtended strand (participates in β ladder)trans-92.4110.3173.2-71.2-21.6000109.5F33F33-N64 WeakPolarHBondContact O-CA 3.26Å
65L92.8Very high92.7Very high13 Ų1359.6 Ų59.67%0.06831%0.31CS..EExtended strand (participates in β ladder)trans-137.5167.7-170.863.281.7000112.9L32 F33 P34 R35 D63 V67 V73 A76L32-L65 HydrophobicContact CB-CD2 4.41Å; L32-L65 HydrophobicContact CD2-CD2 3.97Å; L32-L65 HydrophobicContact CG-CD2 3.87Å; F33-L65 PolarHBondContact O-N 3.49Å; P34-L65 WeakPolarHBondContact CA-O 3.18Å; R35-L65 PolarHBondContact N-O 3.3Å; D63-L65 HydrophobicContact CB-CD2 4.41Å; L65-V67 HydrophobicContact CD1-CB 4.49Å; L65-V67 HydrophobicContact CD1-CG1 3.84Å; L65-V73 HydrophobicContact CD1-CG2 3.84Å; L65-A76 HydrophobicContact CD2-CB 3.28Å
66E92.3Very high93.2Very high111 Ų11155.9 Ų55.952%0.51930%0.295SS..  trans-85.2110.4168.1-88.1-177.3160.200110.2A68 N69E66-A68 PolarHBondContact O-N 3.38Å; E66-N69 HydrophobicContact CB-CB 4.38Å; E66-N69 PolarHBondContact O-N 2.86Å
67V91.1Very high93.5Very high26 Ų2655.7 Ų55.716%0.15829%0.294CS..THydrogen-bonded Turntrans-67.1-21.3-178.9-70.40000113.7P34 L65 N69 F91 D93 S96P34-V67 HydrophobicContact CB-CG1 4.12Å; P34-V67 HydrophobicContact CB-CG2 4.16Å; P34-V67 HydrophobicContact CG-CG1 3.78Å; P34-V67 HydrophobicContact CG-CG2 4.24Å; L65-V67 HydrophobicContact CD1-CB 4.49Å; L65-V67 HydrophobicContact CD1-CG1 3.84Å; V67-N69 VanDerWaalsContact C-N 3.31Å; V67-F91 HydrophobicContact CG1-CB 4.36Å; V67-D93 HydrophobicContact CB-CB 4.28Å; V67-D93 HydrophobicContact CG2-CB 4.11Å; V67-S96 WeakPolarHBondContact O-CB 3.36Å; V67-S96 PolarHBondContact O-OG 3.27Å
68A88.5Confident93.7Very high50 Ų5048.1 Ų48.141%0.41327%0.268SS..THydrogen-bonded Turntrans-73-24176.300000112.8E66 S70E66-A68 PolarHBondContact O-N 3.38Å; A68-S70 PolarHBondContact O-N 2.99Å
69N93.7Very high93.8Very high72 Ų7248.9 Ų48.939%0.38528%0.275SS..  trans-93.397.7-179.5-174-13000110.4E66 V67 F71 A72 V73E66-N69 HydrophobicContact CB-CB 4.38Å; E66-N69 PolarHBondContact O-N 2.86Å; V67-N69 VanDerWaalsContact C-N 3.31Å; N69-F71 PolarHBondContact O-N 2.92Å; N69-F71 VanDerWaalsContact O-N 3.09Å; N69-F71 WeakPolarHBondContact OD1-CB 3.26Å; N69-F71 PolarHBondContact OD1-N 3.07Å; N69-F71 VanDerWaalsContact OD1-N 3.11Å; N69-A72 HydrophobicContact CB-CB 4.09Å; N69-A72 WeakPolarHBondContact O-CB 3.28Å; N69-A72 PolarHBondContact O-N 2.74Å; N69-V73 PolarHBondContact O-N 3.29Å; N69-V73 VanDerWaalsContact O-N 3.12Å
70S94.6Very high93.9Very high36 Ų3646.6 Ų46.625%0.25226%0.261SS..Hα-helixtrans-56.5-28.5-178.9-54.50000113.7A68 V73 T74 K95A68-S70 PolarHBondContact O-N 2.99Å; S70-V73 PolarHBondContact O-N 3.24Å; S70-T74 PolarHBondContact O-N 2.91Å; S70-T74 PolarHBondContact O-OG1 3.18Å; S70-K95 PolarHBondContact OG-O 2.95Å; S70-K95 VanDerWaalsContact OG-O 3.12Å
71F95Very high93.8Very high153 Ų15344.8 Ų44.867%0.67125%0.248SC*.Hα-helixtrans-69.8-41.7175.9179.9-97.1000112.2N69 V73 T74 N75N69-F71 PolarHBondContact O-N 2.92Å; N69-F71 VanDerWaalsContact O-N 3.09Å; N69-F71 WeakPolarHBondContact OD1-CB 3.26Å; N69-F71 PolarHBondContact OD1-N 3.07Å; N69-F71 VanDerWaalsContact OD1-N 3.11Å; F71-V73 VanDerWaalsContact C-N 3.3Å; F71-V73 PolarHBondContact O-N 2.85Å; F71-T74 PolarHBondContact O-N 3.28Å; F71-N75 PolarHBondContact O-N 3.43Å
72A95Very high93.6Very high29 Ų2945.4 Ų45.424%0.2426%0.257CS..Hα-helixtrans-62.8-40.9175.400000110.9N69 N75 A76N69-A72 HydrophobicContact CB-CB 4.09Å; N69-A72 WeakPolarHBondContact O-CB 3.28Å; N69-A72 PolarHBondContact O-N 2.74Å; A72-N75 PolarHBondContact O-N 3.31Å; A72-A76 WeakPolarHBondContact O-CB 3.47Å; A72-A76 PolarHBondContact O-N 3.44Å
73V95.3Very high93.4Very high3 Ų349.1 Ų49.12%0.01827%0.269CS..Hα-helixtrans-61.4-45.7173.8176.40000111.3L32 L65 N69 S70 F71 N75 A76 F77 I100L32-V73 HydrophobicContact CD2-CG1 4.47Å; L65-V73 HydrophobicContact CD1-CG2 3.84Å; N69-V73 PolarHBondContact O-N 3.29Å; N69-V73 VanDerWaalsContact O-N 3.12Å; S70-V73 PolarHBondContact O-N 3.24Å; F71-V73 VanDerWaalsContact C-N 3.3Å; F71-V73 PolarHBondContact O-N 2.85Å; V73-N75 PolarHBondContact O-N 2.79Å; V73-A76 PolarHBondContact O-N 3.34Å; V73-F77 VanDerWaalsContact O-CB 3.25Å; V73-F77 WeakPolarHBondContact O-CB 3.28Å; V73-F77 PolarHBondContact O-N 2.91Å; V73-I100 HydrophobicContact CG1-CD1 3.42Å; V73-I100 VanDerWaalsContact CG1-CD1 3.42Å; V73-I100 HydrophobicContact CG1-CG1 3.95Å
74T95.2Very high93.2Very high35 Ų3547.8 Ų47.822%0.21526%0.264CS..Hα-helixtrans-58.9-48176.2-60.90000111.8S70 F71 A76 F77 C78 T99 F103S70-T74 PolarHBondContact O-N 2.91Å; S70-T74 PolarHBondContact O-OG1 3.18Å; F71-T74 PolarHBondContact O-N 3.28Å; T74-A76 PolarHBondContact O-N 3.47Å; T74-F77 PolarHBondContact O-N 3.03Å; T74-C78 WeakPolarHBondContact O-CB 3.39Å; T74-C78 PolarHBondContact O-N 3.45Å; T74-C78 PolarHBondContact O-SG 2.87Å; T74-T99 WeakPolarHBondContact OG1-CG2 3.19Å; T74-F103 HydrophobicContact CG2-CE2 3.85Å; T74-F103 HydrophobicContact CG2-CZ 3.73Å
75N94.8Very high93.2Very high105 Ų10543 Ų4356%0.56124%0.239SC*.Hα-helixtrans-63.7-44.1-179.3-171.922000111.9F71 A72 V73 C78 S79F71-N75 PolarHBondContact O-N 3.43Å; A72-N75 PolarHBondContact O-N 3.31Å; V73-N75 PolarHBondContact O-N 2.79Å; N75-C78 PolarHBondContact O-N 2.94Å; N75-S79 WeakPolarHBondContact O-CB 3.38Å; N75-S79 PolarHBondContact O-N 3.16Å
76A95Very high93.2Very high11 Ų1144.1 Ų44.19%0.09124%0.242CC..Hα-helixtrans-62.8-44.4175.600000111.5L32 D63 L65 A72 V73 T74 C78 S79 Q80L32-A76 HydrophobicContact CD2-CB 4.41Å; L32-A76 HydrophobicContact CG-CB 4.47Å; D63-A76 HydrophobicContact CB-CB 4.27Å; L65-A76 HydrophobicContact CD2-CB 3.28Å; A72-A76 WeakPolarHBondContact O-CB 3.47Å; A72-A76 PolarHBondContact O-N 3.44Å; V73-A76 PolarHBondContact O-N 3.34Å; T74-A76 PolarHBondContact O-N 3.47Å; A76-C78 VanDerWaalsContact C-N 3.35Å; A76-C78 PolarHBondContact O-N 3.33Å; A76-S79 WeakPolarHBondContact O-CB 3.49Å; A76-S79 PolarHBondContact O-N 2.9Å; A76-Q80 VanDerWaalsContact O-CG 3.26Å; A76-Q80 WeakPolarHBondContact O-CG 3.37Å; A76-Q80 PolarHBondContact O-N 3.42Å
77F95.2Very high93.3Very high1 Ų138.9 Ų38.90%0.00422%0.218CC..Hα-helixtrans-59.8-44.8176.7-173.5-87.1000111.9V73 T74 Q80 F81 I88 I100 F103 L107 V109V73-F77 VanDerWaalsContact O-CB 3.25Å; V73-F77 WeakPolarHBondContact O-CB 3.28Å; V73-F77 PolarHBondContact O-N 2.91Å; T74-F77 PolarHBondContact O-N 3.03Å; F77-Q80 PolarHBondContact O-N 3.18Å; F77-F81 WeakPolarHBondContact O-CB 3.28Å; F77-F81 PolarHBondContact O-N 3.3Å; F77-I88 HydrophobicContact CD2-CD1 3.75Å; F77-I88 HydrophobicContact CE2-CD1 3.65Å; F77-I88 HydrophobicContact CZ-CD1 4.41Å; F77-I100 HydrophobicContact CD2-CD1 4.32Å; F77-F103 HydrophobicContact CD1-CB 3.95Å; F77-F103 AromaticContact CD1-CD1 3.98Å; F77-F103 HydrophobicContact CD1-CD1 3.98Å; F77-F103 AromaticContact CD1-CG 3.96Å; F77-F103 HydrophobicContact CD1-CG 3.96Å; F77-F103 HydrophobicContact CE1-CB 3.53Å; F77-F103 AromaticContact CE1-CD1 3.88Å; F77-F103 HydrophobicContact CE1-CD1 3.88Å; F77-F103 AromaticContact CE1-CG 3.92Å; F77-F103 HydrophobicContact CE1-CG 3.92Å; F77-F103 HydrophobicContact CE2-CB 4.28Å; F77-F103 HydrophobicContact CG-CB 4.49Å; F77-F103 HydrophobicContact CZ-CB 3.72Å; F77-L107 HydrophobicContact CE1-CD1 3.75Å; F77-V109 HydrophobicContact CZ-CB 4.28Å; F77-V109 HydrophobicContact CZ-CG2 4.48Å
78C94.1Very high93.5Very high16 Ų1637.7 Ų37.711%0.10821%0.21CC..Hα-helixtrans-64-41.8175.6-700000112.7T74 N75 A76 Q80 F81 S82 C330T74-C78 WeakPolarHBondContact O-CB 3.39Å; T74-C78 PolarHBondContact O-N 3.45Å; T74-C78 PolarHBondContact O-SG 2.87Å; N75-C78 PolarHBondContact O-N 2.94Å; A76-C78 VanDerWaalsContact C-N 3.35Å; A76-C78 PolarHBondContact O-N 3.33Å; C78-Q80 PolarHBondContact O-N 2.81Å; C78-F81 PolarHBondContact O-N 2.69Å; C78-S82 PolarHBondContact O-N 2.68Å; C78-S82 PolarHBondContact O-OG 2.95Å; C78-C330 HydrophobicContact CB-CB 3.78Å; C78-C330 WeakPolarHBondContact CB-SG 3.13Å; C78-C330 WeakPolarHBondContact SG-CB 3.45Å; C78-C330 CovalentContact SG-SG 2.01Å; C78-C330 PolarHBondContact SG-SG 3.25Å
79S94.3Very high94Very high39 Ų3935.3 Ų35.327%0.27319%0.191SC..Hα-helixtrans-57.1-47.7173.1168.80000111.6N75 A76 S82 R83N75-S79 WeakPolarHBondContact O-CB 3.38Å; N75-S79 PolarHBondContact O-N 3.16Å; A76-S79 WeakPolarHBondContact O-CB 3.49Å; A76-S79 PolarHBondContact O-N 2.9Å; S79-S82 PolarHBondContact O-N 3.07Å; S79-R83 VanDerWaalsContact O-CG 3.27Å; S79-R83 WeakPolarHBondContact O-CG 3.41Å; S79-R83 PolarHBondContact O-N 3.27Å; S79-R83 VanDerWaalsContact O-N 3.07Å
80Q93.5Very high94.1Very high0 Ų031.9 Ų31.90%017%0.172CC..Hα-helixtrans-65.3-41177.5-65.5-66.9-15.100111.8G30 L32 H61 D63 A76 F77 C78 R83 G84 V85 I88G30-Q80 VanDerWaalsContact CA-OE1 3.22Å; L32-Q80 HydrophobicContact CD1-CG 4.17Å; H61-Q80 PolarHBondContact O-NE2 2.81Å; D63-Q80 WeakPolarHBondContact OD2-CG 3.34Å; D63-Q80 PolarHBondContact OD2-NE2 3.47Å; A76-Q80 VanDerWaalsContact O-CG 3.26Å; A76-Q80 WeakPolarHBondContact O-CG 3.37Å; A76-Q80 PolarHBondContact O-N 3.42Å; F77-Q80 PolarHBondContact O-N 3.18Å; C78-Q80 PolarHBondContact O-N 2.81Å; Q80-R83 WeakPolarHBondContact O-CB 3.36Å; Q80-R83 PolarHBondContact O-N 3.37Å; Q80-G84 PolarHBondContact O-N 3.45Å; Q80-V85 HydrophobicContact CB-CG1 4.5Å; Q80-V85 HydrophobicContact CB-CG2 4.11Å; Q80-V85 WeakPolarHBondContact O-CG2 3.21Å; Q80-V85 PolarHBondContact O-N 2.81Å; Q80-I88 HydrophobicContact CB-CD1 4.03Å
81F92.4Very high94.1Very high9 Ų931.1 Ų31.14%0.03917%0.165CC..Hα-helixtrans-61.4-49176.3-175.8-103.1000111.8F77 C78 R83 G84 L107 V109 A327 C330F77-F81 WeakPolarHBondContact O-CB 3.28Å; F77-F81 PolarHBondContact O-N 3.3Å; C78-F81 PolarHBondContact O-N 2.69Å; F81-R83 VanDerWaalsContact C-N 3.27Å; F81-R83 PolarHBondContact O-N 3.01Å; F81-G84 WeakPolarHBondContact O-CA 3.34Å; F81-G84 PolarHBondContact O-N 3.35Å; F81-L107 HydrophobicContact CD1-CD1 4.08Å; F81-L107 HydrophobicContact CD2-CB 4.33Å; F81-L107 HydrophobicContact CD2-CD1 3.62Å; F81-L107 HydrophobicContact CE1-CD1 4.1Å; F81-L107 HydrophobicContact CE2-CB 3.86Å; F81-L107 HydrophobicContact CE2-CD1 3.64Å; F81-L107 HydrophobicContact CE2-CD2 4.47Å; F81-L107 HydrophobicContact CE2-CG 4.2Å; F81-L107 HydrophobicContact CG-CD1 3.83Å; F81-L107 HydrophobicContact CZ-CB 4.44Å; F81-L107 HydrophobicContact CZ-CD1 3.88Å; F81-L107 HydrophobicContact CZ-CD2 4.23Å; F81-L107 HydrophobicContact CZ-CG 4.42Å; F81-V109 HydrophobicContact CD2-CG2 3.91Å; F81-V109 HydrophobicContact CE2-CG2 4.13Å; F81-A327 HydrophobicContact CD1-CB 4Å; F81-A327 HydrophobicContact CD2-CB 4.45Å; F81-A327 HydrophobicContact CE1-CB 3.71Å; F81-A327 WeakPolarHBondContact CE1-O 3.35Å; F81-A327 HydrophobicContact CE2-CB 4.2Å; F81-A327 HydrophobicContact CG-CB 4.38Å; F81-A327 HydrophobicContact CZ-CB 3.82Å; F81-A327 WeakPolarHBondContact O-CB 3.43Å; F81-C330 HydrophobicContact CD1-CB 4.01Å; F81-C330 HydrophobicContact CG-CB 4.47Å
82S91Very high94.1Very high59 Ų5924.2 Ų24.241%0.41313%0.134SC..Hα-helixtrans-64.1-29.4178.4-64.40000113.1C78 S79 G84 G328C78-S82 PolarHBondContact O-N 2.68Å; C78-S82 PolarHBondContact O-OG 2.95Å; S79-S82 PolarHBondContact O-N 3.07Å; S82-G84 PolarHBondContact O-N 3.06Å; S82-G328 PolarHBondContact OG-O 3.4Å
83R90.2Very high93.9Very high124 Ų12424 Ų2447%0.46813%0.129SC..Hα-helixtrans-67.4-16.4170.4-73.4170-174.1-1111.3113.4Q28 H61 S79 Q80 F81 V85Q28-R83 PolarHBondContact OE1-O 3.4Å; H61-R83 PolarHBondContact ND1-NH1 3.48Å; S79-R83 VanDerWaalsContact O-CG 3.27Å; S79-R83 WeakPolarHBondContact O-CG 3.41Å; S79-R83 PolarHBondContact O-N 3.27Å; S79-R83 VanDerWaalsContact O-N 3.07Å; Q80-R83 WeakPolarHBondContact O-CB 3.36Å; Q80-R83 PolarHBondContact O-N 3.37Å; F81-R83 VanDerWaalsContact C-N 3.27Å; F81-R83 PolarHBondContact O-N 3.01Å; R83-V85 HydrophobicContact CB-CG1 4.48Å
84G89.3Confident93.7Very high10 Ų1027.1 Ų27.110%0.10314%0.142CC..THydrogen-bonded Turntrans85.824.517600000114.6Q80 F81 S82 R323Q80-G84 PolarHBondContact O-N 3.45Å; F81-G84 WeakPolarHBondContact O-CA 3.34Å; F81-G84 PolarHBondContact O-N 3.35Å; S82-G84 PolarHBondContact O-N 3.06Å; G84-R323 VanDerWaalsContact CA-NH1 3.3Å; G84-R323 PolarHBondContact O-NH1 3.47Å
85V92.8Very high93.6Very high2 Ų232 Ų321%0.01216%0.161CC..  trans-59.1148.3-179.5-58.20000113.1Q28 Q80 R83 I88 R323Q28-V85 HydrophobicContact CB-CG1 4.46Å; Q28-V85 WeakPolarHBondContact O-CA 3.24Å; Q80-V85 HydrophobicContact CB-CG1 4.5Å; Q80-V85 HydrophobicContact CB-CG2 4.11Å; Q80-V85 WeakPolarHBondContact O-CG2 3.21Å; Q80-V85 PolarHBondContact O-N 2.81Å; R83-V85 HydrophobicContact CB-CG1 4.48Å; V85-I88 HydrophobicContact CG2-CD1 4.15Å; V85-I88 HydrophobicContact CG2-CG1 3.73Å; V85-R323 PolarHBondContact O-NH1 3.28Å
86Y92.8Very high93.5Very high36 Ų3627 Ų2714%0.14113%0.134CC..SBendtrans-87.1-32.6-179.8-65.7-74.3000113.1I27 Q28 I321 W338I27-Y86 HydrophobicContact CB-CD2 4.48Å; I27-Y86 HydrophobicContact CG2-CD2 3.56Å; I27-Y86 HydrophobicContact CG2-CE2 4.27Å; I27-Y86 HydrophobicContact CG2-CG 4.17Å; Q28-Y86 WeakPolarHBondContact O-CD2 3.14Å; Q28-Y86 PolarHBondContact O-N 2.95Å; Y86-I321 HydrophobicContact CD1-CD1 4.29Å; Y86-I321 HydrophobicContact CE1-CB 4.42Å; Y86-I321 HydrophobicContact CE1-CD1 4.45Å; Y86-I321 HydrophobicContact CE1-CG1 4.33Å; Y86-I321 WeakPolarHBondContact CE1-O 3.47Å; Y86-W338 AromaticContact CD1-CH2 3.76Å; Y86-W338 HydrophobicContact CD1-CH2 3.76Å; Y86-W338 HydrophobicContact CD1-CZ3 4.1Å; Y86-W338 HydrophobicContact CE1-CZ3 4.45Å
87A94.8Very high93.5Very high1 Ų126.7 Ų26.71%0.00813%0.131CC..EExtended strand (participates in β ladder)trans-149.6152.917800000109.6I29 G30 I112 M307 F311I29-A87 WeakPolarHBondContact CA-O 3.32Å; G30-A87 PolarHBondContact N-O 3.41Å; A87-I112 HydrophobicContact CB-CD1 4.03Å; A87-M307 HydrophobicContact CB-CE 4.27Å; A87-F311 HydrophobicContact CB-CZ 4.25Å
88I96.8Very high93.4Very high0 Ų031.9 Ų31.90%016%0.159CC..EExtended strand (participates in β ladder)trans-118.5126.2176.4-63.4177.7000108.4G30 L32 F77 Q80 V85 V109 S110 F111 I112G30-I88 CarbonylContact O-C 3.26Å; G30-I88 WeakPolarHBondContact O-CA 3.17Å; L32-I88 HydrophobicContact CD1-CG2 3.62Å; F77-I88 HydrophobicContact CD2-CD1 3.75Å; F77-I88 HydrophobicContact CE2-CD1 3.65Å; F77-I88 HydrophobicContact CZ-CD1 4.41Å; Q80-I88 HydrophobicContact CB-CD1 4.03Å; V85-I88 HydrophobicContact CG2-CD1 4.15Å; V85-I88 HydrophobicContact CG2-CG1 3.73Å; I88-V109 HydrophobicContact CD1-CG1 3.84Å; I88-V109 HydrophobicContact CG1-CG1 3.92Å; I88-S110 PolarHBondContact N-O 3.35Å; I88-F111 HydrophobicContact CB-CD2 3.92Å; I88-F111 HydrophobicContact CB-CE2 4.4Å; I88-F111 HydrophobicContact CG2-CD2 3.62Å; I88-F111 HydrophobicContact CG2-CE2 3.58Å; I88-F111 CarbonylContact O-C 3.5Å; I88-F111 VanDerWaalsContact O-CA 3.26Å; I88-F111 WeakPolarHBondContact O-CA 3.29Å; I88-I112 PolarHBondContact O-N 3.09Å
89F97.3Very high93.4Very high0 Ų032.5 Ų32.50%016%0.162CC..EExtended strand (participates in β ladder)trans-100.6137.7167.1173.3-97000109G30 G31 L32 F33 F44 F91 I112 P114 T300 A303 M307G30-F89 PolarHBondContact O-N 2.89Å; G31-F89 CarbonylContact C-O 3.59Å; G31-F89 VanDerWaalsContact CA-O 3.25Å; G31-F89 WeakPolarHBondContact CA-O 3.49Å; L32-F89 PolarHBondContact N-O 2.95Å; F33-F89 HydrophobicContact CE1-CD1 4.35Å; F33-F89 AromaticContact CE1-CE1 3.77Å; F33-F89 HydrophobicContact CE1-CE1 3.77Å; F33-F89 HydrophobicContact CE2-CD1 4.18Å; F33-F89 HydrophobicContact CE2-CE1 4.41Å; F33-F89 AromaticContact CZ-CD1 3.69Å; F33-F89 HydrophobicContact CZ-CD1 3.69Å; F33-F89 AromaticContact CZ-CE1 3.55Å; F33-F89 HydrophobicContact CZ-CE1 3.55Å; F44-F89 AromaticContact CD2-CD1 3.86Å; F44-F89 HydrophobicContact CD2-CD1 3.86Å; F44-F89 AromaticContact CD2-CE1 3.98Å; F44-F89 HydrophobicContact CD2-CE1 3.98Å; F44-F89 HydrophobicContact CD2-CG 4.5Å; F44-F89 HydrophobicContact CE2-CB 4.4Å; F44-F89 AromaticContact CE2-CD1 3.81Å; F44-F89 HydrophobicContact CE2-CD1 3.81Å; F44-F89 HydrophobicContact CE2-CE1 4.4Å; F44-F89 HydrophobicContact CE2-CG 4.15Å; F89-F91 HydrophobicContact CE1-CE2 4.28Å; F89-F91 HydrophobicContact CZ-CE2 4.4Å; F89-I112 WeakPolarHBondContact CA-O 3.47Å; F89-I112 HydrophobicContact CD2-CB 4.14Å; F89-I112 HydrophobicContact CD2-CG2 4.08Å; F89-I112 WeakPolarHBondContact CD2-O 3.46Å; F89-P114 HydrophobicContact CE2-CG 4.33Å; F89-P114 HydrophobicContact CZ-CG 4Å; F89-T300 HydrophobicContact CE1-CG2 3.72Å; F89-T300 HydrophobicContact CZ-CG2 3.49Å; F89-T300 VanDerWaalsContact CZ-CG2 3.49Å; F89-A303 HydrophobicContact CD2-CB 3.8Å; F89-A303 HydrophobicContact CE2-CB 3.4Å; F89-A303 HydrophobicContact CZ-CB 4.35Å; F89-M307 HydrophobicContact CB-SD 4.02Å
90G95.9Very high93.5Very high0 Ų030.7 Ų30.70%015%0.149CC..EExtended strand (participates in β ladder)trans175.7-177.317200000115.3L32 I112 T113L32-G90 WeakPolarHBondContact O-CA 3.39Å; G90-I112 PolarHBondContact N-O 3.06Å; G90-T113 VanDerWaalsContact O-CA 3.31Å; G90-T113 WeakPolarHBondContact O-CA 3.43Å; G90-T113 WeakPolarHBondContact O-CB 3.09Å; G90-T113 PolarHBondContact O-OG1 2.97Å
91F95.7Very high93.5Very high21 Ų2131.3 Ų31.39%0.09215%0.153CC..  trans-103.2148.4178.6-63-106.2000109.8L32 F33 P34 E40 V67 F89 P114L32-F91 PolarHBondContact O-N 2.68Å; L32-F91 VanDerWaalsContact O-N 3.16Å; F33-F91 HydrophobicContact CD1-CE2 4.06Å; F33-F91 HydrophobicContact CE1-CE2 4.22Å; P34-F91 VanDerWaalsContact CD-CD2 3.44Å; P34-F91 HydrophobicContact CG-CB 3.65Å; P34-F91 HydrophobicContact CG-CD1 4.42Å; P34-F91 HydrophobicContact CG-CD2 4.08Å; P34-F91 HydrophobicContact CG-CG 3.81Å; E40-F91 HydrophobicContact CB-CE2 4.29Å; E40-F91 HydrophobicContact CB-CZ 3.83Å; E40-F91 HydrophobicContact CG-CE1 4.27Å; E40-F91 HydrophobicContact CG-CZ 3.7Å; V67-F91 HydrophobicContact CG1-CB 4.36Å; F89-F91 HydrophobicContact CE1-CE2 4.28Å; F89-F91 HydrophobicContact CZ-CE2 4.4Å; F91-P114 HydrophobicContact CD1-CG 3.89Å; F91-P114 HydrophobicContact CD2-CG 4.49Å; F91-P114 HydrophobicContact CE1-CB 4.41Å; F91-P114 HydrophobicContact CE1-CG 3.34Å; F91-P114 HydrophobicContact CE2-CG 3.98Å; F91-P114 HydrophobicContact CG-CG 4.44Å; F91-P114 HydrophobicContact CZ-CG 3.35Å
92Y94.2Very high93.6Very high7 Ų734.4 Ų34.43%0.02718%0.176CC..  trans-123.6159.8162.556.7-109.6000110.4V97 F111 T113 S115 F116 T118Y92-V97 HydrophobicContact CD1-CG2 4.49Å; Y92-V97 HydrophobicContact CD2-CB 3.73Å; Y92-V97 HydrophobicContact CD2-CG2 3.75Å; Y92-V97 HydrophobicContact CE1-CG2 4.37Å; Y92-V97 HydrophobicContact CE2-CB 4.14Å; Y92-V97 HydrophobicContact CE2-CG2 3.68Å; Y92-V97 HydrophobicContact CG-CB 4.18Å; Y92-V97 HydrophobicContact CG-CG2 4.19Å; Y92-F111 AromaticContact CD1-CE1 3.91Å; Y92-F111 HydrophobicContact CD1-CE1 3.91Å; Y92-F111 HydrophobicContact CE1-CE1 4.48Å; Y92-T113 HydrophobicContact CD1-CG2 4.18Å; Y92-T113 HydrophobicContact CE1-CG2 3.38Å; Y92-S115 PolarHBondContact N-OG 3.48Å; Y92-S115 VanDerWaalsContact N-OG 3.07Å; Y92-S115 PolarHBondContact O-OG 2.92Å; Y92-F116 AromaticContact CD2-CE1 3.84Å; Y92-F116 HydrophobicContact CD2-CE1 3.84Å; Y92-F116 AromaticContact CD2-CZ 3.82Å; Y92-F116 HydrophobicContact CD2-CZ 3.82Å; Y92-F116 HydrophobicContact CE2-CD1 4.13Å; Y92-F116 HydrophobicContact CE2-CD2 4.25Å; Y92-F116 AromaticContact CE2-CE1 3.74Å; Y92-F116 HydrophobicContact CE2-CE1 3.74Å; Y92-F116 AromaticContact CE2-CE2 3.87Å; Y92-F116 HydrophobicContact CE2-CE2 3.87Å; Y92-F116 HydrophobicContact CE2-CG 4.35Å; Y92-F116 AromaticContact CE2-CZ 3.58Å; Y92-F116 HydrophobicContact CE2-CZ 3.58Å; Y92-F116 WeakPolarHBondContact CE2-O 3.44Å; Y92-F116 PolarHBondContact OH-O 2.89Å; Y92-T118 HydrophobicContact CE1-CG2 4.48Å; Y92-T118 WeakPolarHBondContact OH-CG2 3.29Å
93D92.3Very high93.8Very high25 Ų2533.3 Ų33.313%0.13416%0.164CC..  trans-105166.2170.1178.431.1000109.5V67 K95 S96 V97V67-D93 HydrophobicContact CB-CB 4.28Å; V67-D93 HydrophobicContact CG2-CB 4.11Å; D93-K95 PolarHBondContact O-N 3.06Å; D93-K95 VanDerWaalsContact O-N 3.14Å; D93-S96 PolarHBondContact N-OG 3.22Å; D93-S96 PolarHBondContact O-N 3.04Å; D93-S96 PolarHBondContact O-OG 2.74Å; D93-V97 PolarHBondContact O-N 3.5Å
94K90.9Very high94Very high68 Ų6827.4 Ų27.430%0.29614%0.141SC..THydrogen-bonded Turntrans-57.9-27175.2-174.658.9179.6174.80112.9V97 F116 D119K94-V97 HydrophobicContact CD-CG1 4.38Å; K94-V97 WeakPolarHBondContact O-CG1 3.26Å; K94-F116 HydrophobicContact CB-CE1 4.46Å; K94-F116 HydrophobicContact CB-CZ 4.05Å; K94-F116 HydrophobicContact CD-CE2 4.27Å; K94-F116 HydrophobicContact CD-CZ 4.13Å; K94-D119 IonicContact NZ-OD2 2.7Å; K94-D119 PolarHBondContact NZ-OD2 3.33Å
95K91.8Very high94.1Very high138 Ų13828.1 Ų28.160%0.615%0.149SC*.THydrogen-bonded Turntrans-77.1-31.9175.9-62.7176.5-174.21680113.4S70 D93S70-K95 PolarHBondContact OG-O 2.95Å; S70-K95 VanDerWaalsContact OG-O 3.12Å; D93-K95 PolarHBondContact O-N 3.06Å; D93-K95 VanDerWaalsContact O-N 3.14Å
96S94Very high94.1Very high0 Ų031.6 Ų31.60%017%0.17CC..THydrogen-bonded Turntrans-102.1-11.8-175.4530000114.6V67 D93 N98 T99 I100V67-S96 WeakPolarHBondContact O-CB 3.36Å; V67-S96 PolarHBondContact O-OG 3.27Å; D93-S96 PolarHBondContact N-OG 3.22Å; D93-S96 PolarHBondContact O-N 3.04Å; D93-S96 PolarHBondContact O-OG 2.74Å; S96-N98 VanDerWaalsContact C-N 3.28Å; S96-N98 PolarHBondContact O-N 2.91Å; S96-T99 WeakPolarHBondContact O-CA 3.43Å; S96-T99 VanDerWaalsContact O-CB 3.3Å; S96-T99 WeakPolarHBondContact O-CB 3.31Å; S96-T99 PolarHBondContact O-N 3.32Å; S96-I100 PolarHBondContact O-N 3.38Å
97V93.7Very high94.1Very high5 Ų530.1 Ų30.13%0.0316%0.164CC..Hα-helixtrans-55.6-40.5179.468.50000112.8Y92 D93 K94 T99 I100 T101 T118Y92-V97 HydrophobicContact CD1-CG2 4.49Å; Y92-V97 HydrophobicContact CD2-CB 3.73Å; Y92-V97 HydrophobicContact CD2-CG2 3.75Å; Y92-V97 HydrophobicContact CE1-CG2 4.37Å; Y92-V97 HydrophobicContact CE2-CB 4.14Å; Y92-V97 HydrophobicContact CE2-CG2 3.68Å; Y92-V97 HydrophobicContact CG-CB 4.18Å; Y92-V97 HydrophobicContact CG-CG2 4.19Å; D93-V97 PolarHBondContact O-N 3.5Å; K94-V97 HydrophobicContact CD-CG1 4.38Å; K94-V97 WeakPolarHBondContact O-CG1 3.26Å; V97-T99 VanDerWaalsContact C-N 3.32Å; V97-T99 PolarHBondContact O-N 3.23Å; V97-I100 PolarHBondContact O-N 3.26Å; V97-T101 HydrophobicContact CG2-CG2 4.27Å; V97-T101 WeakPolarHBondContact O-CB 3.14Å; V97-T101 VanDerWaalsContact O-CG2 3.28Å; V97-T101 WeakPolarHBondContact O-CG2 3.42Å; V97-T101 PolarHBondContact O-N 3.09Å; V97-T101 PolarHBondContact O-OG1 3.03Å; V97-T118 HydrophobicContact CG2-CG2 4.01Å
98N93.6Very high94.1Very high110 Ų11032.5 Ų32.559%0.58818%0.175SC*.Hα-helixtrans-68.1-33.1178.1-69.9-20000112S96 T101 S102S96-N98 VanDerWaalsContact C-N 3.28Å; S96-N98 PolarHBondContact O-N 2.91Å; N98-T101 WeakPolarHBondContact CA-OG1 3.38Å; N98-T101 PolarHBondContact O-OG1 3.28Å; N98-S102 WeakPolarHBondContact O-CB 3.26Å; N98-S102 PolarHBondContact O-N 3.11Å; N98-S102 VanDerWaalsContact O-N 3.14Å
99T95.2Very high93.9Very high28 Ų2832.6 Ų32.617%0.17218%0.176CC..Hα-helixtrans-65.8-52.4174.7-56.20000110T74 S96 V97 S102 F103T74-T99 WeakPolarHBondContact OG1-CG2 3.19Å; S96-T99 WeakPolarHBondContact O-CA 3.43Å; S96-T99 VanDerWaalsContact O-CB 3.3Å; S96-T99 WeakPolarHBondContact O-CB 3.31Å; S96-T99 PolarHBondContact O-N 3.32Å; V97-T99 VanDerWaalsContact C-N 3.32Å; V97-T99 PolarHBondContact O-N 3.23Å; T99-S102 PolarHBondContact O-N 2.82Å; T99-F103 HydrophobicContact CG2-CD2 3.77Å; T99-F103 HydrophobicContact CG2-CE2 3.83Å; T99-F103 VanDerWaalsContact O-CD2 3.28Å; T99-F103 WeakPolarHBondContact O-CD2 3.25Å; T99-F103 PolarHBondContact O-N 3.03Å
100I95.2Very high93.9Very high2 Ų232.6 Ų32.61%0.0118%0.176CC..Hα-helixtrans-60.6-50.6-179.3-67.5-62.6000111.3V73 F77 S96 V97 S102 F103 C104 F111V73-I100 HydrophobicContact CG1-CD1 3.42Å; V73-I100 VanDerWaalsContact CG1-CD1 3.42Å; V73-I100 HydrophobicContact CG1-CG1 3.95Å; F77-I100 HydrophobicContact CD2-CD1 4.32Å; S96-I100 PolarHBondContact O-N 3.38Å; V97-I100 PolarHBondContact O-N 3.26Å; I100-S102 VanDerWaalsContact C-N 3.31Å; I100-S102 PolarHBondContact O-N 3.43Å; I100-F103 PolarHBondContact O-N 3.34Å; I100-C104 WeakPolarHBondContact O-CB 3.37Å; I100-C104 PolarHBondContact O-N 2.92Å; I100-C104 PolarHBondContact O-SG 3.37Å; I100-F111 HydrophobicContact CD1-CE2 3.98Å; I100-F111 HydrophobicContact CD1-CZ 4.27Å; I100-F111 HydrophobicContact CG1-CZ 4.42Å; I100-F111 HydrophobicContact CG2-CB 4.42Å; I100-F111 HydrophobicContact CG2-CD1 3.74Å; I100-F111 HydrophobicContact CG2-CD2 3.9Å; I100-F111 HydrophobicContact CG2-CE1 3.87Å; I100-F111 HydrophobicContact CG2-CE2 4.03Å; I100-F111 HydrophobicContact CG2-CG 3.75Å; I100-F111 HydrophobicContact CG2-CZ 4.03Å
101T94.6Very high93.9Very high13 Ų1332.6 Ų32.68%0.0818%0.176CC..Hα-helixtrans-60.8-39.2-178.750.30000112.3V97 N98 G105 T118 H122 V125V97-T101 HydrophobicContact CG2-CG2 4.27Å; V97-T101 WeakPolarHBondContact O-CB 3.14Å; V97-T101 VanDerWaalsContact O-CG2 3.28Å; V97-T101 WeakPolarHBondContact O-CG2 3.42Å; V97-T101 PolarHBondContact O-N 3.09Å; V97-T101 PolarHBondContact O-OG1 3.03Å; N98-T101 WeakPolarHBondContact CA-OG1 3.38Å; N98-T101 PolarHBondContact O-OG1 3.28Å; T101-G105 PolarHBondContact O-N 2.9Å; T101-G105 VanDerWaalsContact O-N 3.08Å; T101-T118 HydrophobicContact CG2-CG2 4.41Å; T101-H122 HydrophobicContact CG2-CB 4.02Å; T101-V125 HydrophobicContact CG2-CG2 4.27Å
102S94.4Very high94Very high74 Ų7431.6 Ų31.652%0.51717%0.172SC..Hα-helixtrans-64.8-47.7176.1-175.90000112.6N98 T99 I100 T106N98-S102 WeakPolarHBondContact O-CB 3.26Å; N98-S102 PolarHBondContact O-N 3.11Å; N98-S102 VanDerWaalsContact O-N 3.14Å; T99-S102 PolarHBondContact O-N 2.82Å; I100-S102 VanDerWaalsContact C-N 3.31Å; I100-S102 PolarHBondContact O-N 3.43Å; S102-T106 WeakPolarHBondContact O-CB 3.35Å; S102-T106 PolarHBondContact O-N 2.84Å; S102-T106 VanDerWaalsContact O-N 3.1Å; S102-T106 PolarHBondContact O-OG1 3.43Å
103F94.3Very high94.2Very high36 Ų3631.3 Ų31.316%0.15817%0.17CC..Hα-helixtrans-67.8-41.7179.5-87.9-72.3000112.8T74 F77 T99 I100 T106 L107T74-F103 HydrophobicContact CG2-CE2 3.85Å; T74-F103 HydrophobicContact CG2-CZ 3.73Å; F77-F103 HydrophobicContact CD1-CB 3.95Å; F77-F103 AromaticContact CD1-CD1 3.98Å; F77-F103 HydrophobicContact CD1-CD1 3.98Å; F77-F103 AromaticContact CD1-CG 3.96Å; F77-F103 HydrophobicContact CD1-CG 3.96Å; F77-F103 HydrophobicContact CE1-CB 3.53Å; F77-F103 AromaticContact CE1-CD1 3.88Å; F77-F103 HydrophobicContact CE1-CD1 3.88Å; F77-F103 AromaticContact CE1-CG 3.92Å; F77-F103 HydrophobicContact CE1-CG 3.92Å; F77-F103 HydrophobicContact CE2-CB 4.28Å; F77-F103 HydrophobicContact CG-CB 4.49Å; F77-F103 HydrophobicContact CZ-CB 3.72Å; T99-F103 HydrophobicContact CG2-CD2 3.77Å; T99-F103 HydrophobicContact CG2-CE2 3.83Å; T99-F103 VanDerWaalsContact O-CD2 3.28Å; T99-F103 WeakPolarHBondContact O-CD2 3.25Å; T99-F103 PolarHBondContact O-N 3.03Å; I100-F103 PolarHBondContact O-N 3.34Å; F103-T106 PolarHBondContact O-N 3.08Å; F103-L107 HydrophobicContact CD1-CD1 4.42Å; F103-L107 PolarHBondContact O-N 3.3Å
104C94.1Very high94.3Very high0 Ų030.1 Ų30.10%016%0.164CC..Hα-helixtrans-66-41.7179.7-62.60000111.4I100 T106 H108 V109 F111 F124I100-C104 WeakPolarHBondContact O-CB 3.37Å; I100-C104 PolarHBondContact O-N 2.92Å; I100-C104 PolarHBondContact O-SG 3.37Å; C104-T106 VanDerWaalsContact C-N 3.32Å; C104-T106 PolarHBondContact O-N 2.77Å; C104-H108 WeakPolarHBondContact O-CA 3.42Å; C104-H108 PolarHBondContact O-N 3.29Å; C104-V109 WeakPolarHBondContact CB-O 3.5Å; C104-F111 VanDerWaalsContact SG-CB 3.59Å; C104-F124 HydrophobicContact CB-CB 4.06Å; C104-F124 WeakPolarHBondContact O-CD2 3.33Å
105G92.6Very high94.5Very high25 Ų2527.2 Ų27.226%0.25815%0.152SC..Hα-helixtrans-63-35.7174.300000113.3T101 H108T101-G105 PolarHBondContact O-N 2.9Å; T101-G105 VanDerWaalsContact O-N 3.08Å; G105-H108 PolarHBondContact O-ND1 3.06Å
106T92.5Very high94.5Very high75 Ų7521.4 Ų21.446%0.4613%0.127SC..Hα-helixtrans-78.1-51.8-179.2-53.40000111.7S102 F103 C104 H108S102-T106 WeakPolarHBondContact O-CB 3.35Å; S102-T106 PolarHBondContact O-N 2.84Å; S102-T106 VanDerWaalsContact O-N 3.1Å; S102-T106 PolarHBondContact O-OG1 3.43Å; F103-T106 PolarHBondContact O-N 3.08Å; C104-T106 VanDerWaalsContact C-N 3.32Å; C104-T106 PolarHBondContact O-N 2.77Å; T106-H108 PolarHBondContact O-ND1 2.85Å; T106-H108 VanDerWaalsContact O-ND1 3.17Å
107L92.9Very high94.5Very high4 Ų423 Ų232%0.02114%0.138CC..Hα-helixtrans-88.9-2.3-172.4-58.1-171.3000114.4F77 F81 F103 V109 C330 A335F77-L107 HydrophobicContact CE1-CD1 3.75Å; F81-L107 HydrophobicContact CD1-CD1 4.08Å; F81-L107 HydrophobicContact CD2-CB 4.33Å; F81-L107 HydrophobicContact CD2-CD1 3.62Å; F81-L107 HydrophobicContact CE1-CD1 4.1Å; F81-L107 HydrophobicContact CE2-CB 3.86Å; F81-L107 HydrophobicContact CE2-CD1 3.64Å; F81-L107 HydrophobicContact CE2-CD2 4.47Å; F81-L107 HydrophobicContact CE2-CG 4.2Å; F81-L107 HydrophobicContact CG-CD1 3.83Å; F81-L107 HydrophobicContact CZ-CB 4.44Å; F81-L107 HydrophobicContact CZ-CD1 3.88Å; F81-L107 HydrophobicContact CZ-CD2 4.23Å; F81-L107 HydrophobicContact CZ-CG 4.42Å; F103-L107 HydrophobicContact CD1-CD1 4.42Å; F103-L107 PolarHBondContact O-N 3.3Å; L107-V109 VanDerWaalsContact C-N 3.29Å; L107-V109 HydrophobicContact CB-CG2 3.99Å; L107-V109 PolarHBondContact O-N 3.39Å; L107-C330 HydrophobicContact CD1-CB 4.09Å; L107-A335 HydrophobicContact CD2-CB 3.61Å
108H94Very high94.4Very high51 Ų5123.1 Ų23.124%0.23614%0.138CC..THydrogen-bonded Turntrans55.544.1-179-64.850.3000111.9C104 G105 T106 F124 P337 W338C104-H108 WeakPolarHBondContact O-CA 3.42Å; C104-H108 PolarHBondContact O-N 3.29Å; G105-H108 PolarHBondContact O-ND1 3.06Å; T106-H108 PolarHBondContact O-ND1 2.85Å; T106-H108 VanDerWaalsContact O-ND1 3.17Å; H108-F124 HydrophobicContact CB-CD1 4.48Å; H108-F124 HydrophobicContact CB-CE1 3.86Å; H108-F124 HydrophobicContact CB-CE2 4.01Å; H108-F124 HydrophobicContact CB-CZ 3.62Å; H108-F124 AromaticContact CD2-CE2 3.53Å; H108-F124 AromaticContact CD2-CZ 3.17Å; H108-F124 WeakPolarHBondContact CD2-CZ 3.42Å; H108-F124 AromaticContact CG-CE2 3.61Å; H108-F124 AromaticContact CG-CZ 3.46Å; H108-F124 VanDerWaalsContact CG-CZ 3.46Å; H108-F124 AromaticContact NE2-CE2 3.96Å; H108-F124 AromaticContact NE2-CZ 3.98Å; H108-P337 HydrophobicContact CB-CB 4.1Å; H108-P337 WeakPolarHBondContact ND1-CB 3.41Å; H108-W338 PolarHBondContact O-NE1 3.4Å; H108-W338 VanDerWaalsContact O-NE1 3.09Å
109V93.9Very high93.9Very high2 Ų221 Ų211%0.01213%0.127CC..  trans-104119.8176.8-1800000108.2F77 F81 I88 C104 L107 F111 F124F77-V109 HydrophobicContact CZ-CB 4.28Å; F77-V109 HydrophobicContact CZ-CG2 4.48Å; F81-V109 HydrophobicContact CD2-CG2 3.91Å; F81-V109 HydrophobicContact CE2-CG2 4.13Å; I88-V109 HydrophobicContact CD1-CG1 3.84Å; I88-V109 HydrophobicContact CG1-CG1 3.92Å; C104-V109 WeakPolarHBondContact CB-O 3.5Å; L107-V109 VanDerWaalsContact C-N 3.29Å; L107-V109 HydrophobicContact CB-CG2 3.99Å; L107-V109 PolarHBondContact O-N 3.39Å; V109-F111 PolarHBondContact O-N 3.46Å; V109-F124 WeakPolarHBondContact O-CB 3.47Å
110S96.1Very high93.5Very high1 Ų121.5 Ų21.51%0.00714%0.138CC..EExtended strand (participates in β ladder)trans-69.7123.6179.1-670000111I88I88-S110 PolarHBondContact N-O 3.35Å
111F97.1Very high93.2Very high0 Ų025.7 Ų25.70%016%0.163CC..EExtended strand (participates in β ladder)trans-110.8121.9178.7-167.1-92000110.7I88 Y92 I100 C104 V109 T113 F124 V125 I126I88-F111 HydrophobicContact CB-CD2 3.92Å; I88-F111 HydrophobicContact CB-CE2 4.4Å; I88-F111 HydrophobicContact CG2-CD2 3.62Å; I88-F111 HydrophobicContact CG2-CE2 3.58Å; I88-F111 CarbonylContact O-C 3.5Å; I88-F111 VanDerWaalsContact O-CA 3.26Å; I88-F111 WeakPolarHBondContact O-CA 3.29Å; Y92-F111 AromaticContact CD1-CE1 3.91Å; Y92-F111 HydrophobicContact CD1-CE1 3.91Å; Y92-F111 HydrophobicContact CE1-CE1 4.48Å; I100-F111 HydrophobicContact CD1-CE2 3.98Å; I100-F111 HydrophobicContact CD1-CZ 4.27Å; I100-F111 HydrophobicContact CG1-CZ 4.42Å; I100-F111 HydrophobicContact CG2-CB 4.42Å; I100-F111 HydrophobicContact CG2-CD1 3.74Å; I100-F111 HydrophobicContact CG2-CD2 3.9Å; I100-F111 HydrophobicContact CG2-CE1 3.87Å; I100-F111 HydrophobicContact CG2-CE2 4.03Å; I100-F111 HydrophobicContact CG2-CG 3.75Å; I100-F111 HydrophobicContact CG2-CZ 4.03Å; C104-F111 VanDerWaalsContact SG-CB 3.59Å; V109-F111 PolarHBondContact O-N 3.46Å; F111-T113 HydrophobicContact CD1-CG2 4.4Å; F111-T113 HydrophobicContact CE1-CG2 4.38Å; F111-F124 PolarHBondContact N-O 3.44Å; F111-V125 CarbonylContact O-C 3.59Å; F111-V125 WeakPolarHBondContact O-CA 3.39Å; F111-I126 PolarHBondContact O-N 3.31Å
112I97.6Very high93.1Very high0 Ų027.4 Ų27.40%017%0.17CC..EExtended strand (participates in β ladder)trans-108.9130.5179.8-55.587.3000108.6A87 I88 F89 G90 I126 M128 A303 M307 L348A87-I112 HydrophobicContact CB-CD1 4.03Å; I88-I112 PolarHBondContact O-N 3.09Å; F89-I112 WeakPolarHBondContact CA-O 3.47Å; F89-I112 HydrophobicContact CD2-CB 4.14Å; F89-I112 HydrophobicContact CD2-CG2 4.08Å; F89-I112 WeakPolarHBondContact CD2-O 3.46Å; G90-I112 PolarHBondContact N-O 3.06Å; I112-I126 WeakPolarHBondContact CA-O 3.49Å; I112-I126 HydrophobicContact CB-CB 4.5Å; I112-I126 HydrophobicContact CG1-CB 4.1Å; I112-I126 HydrophobicContact CG1-CG1 4.37Å; I112-I126 HydrophobicContact CG2-CB 4.42Å; I112-I126 HydrophobicContact CG2-CG2 4.46Å; I112-M128 HydrophobicContact CG2-CG 4.05Å; I112-M128 HydrophobicContact CG2-SD 4.16Å; I112-A303 HydrophobicContact CG2-CB 4.01Å; I112-M307 HydrophobicContact CD1-CE 4.47Å; I112-M307 HydrophobicContact CD1-CG 4.1Å; I112-M307 HydrophobicContact CD1-SD 4.19Å; I112-M307 HydrophobicContact CG1-CG 4.19Å; I112-L348 HydrophobicContact CD1-CD1 4.23Å; I112-L348 HydrophobicContact CG1-CD1 4.47Å; I112-L348 HydrophobicContact CG1-CD2 4.43Å
113T96.9Very high93.1Very high0 Ų027 Ų270%017%0.166CC..EExtended strand (participates in β ladder)trans-144.1139-172.6-169.50000114.9G90 Y92 F111 S115 V125 I126 Q127 M128G90-T113 VanDerWaalsContact O-CA 3.31Å; G90-T113 WeakPolarHBondContact O-CA 3.43Å; G90-T113 WeakPolarHBondContact O-CB 3.09Å; G90-T113 PolarHBondContact O-OG1 2.97Å; Y92-T113 HydrophobicContact CD1-CG2 4.18Å; Y92-T113 HydrophobicContact CE1-CG2 3.38Å; F111-T113 HydrophobicContact CD1-CG2 4.4Å; F111-T113 HydrophobicContact CE1-CG2 4.38Å; T113-S115 WeakPolarHBondContact OG1-CB 3.29Å; T113-S115 PolarHBondContact OG1-N 3.06Å; T113-V125 HydrophobicContact CG2-CG1 4.4Å; T113-I126 PolarHBondContact N-O 3.27Å; T113-Q127 HydrophobicContact CG2-CG 4.41Å; T113-M128 WeakPolarHBondContact O-CB 3.26Å; T113-M128 PolarHBondContact O-N 2.88Å
114P95.9Very high93.1Very high0 Ų025.7 Ų25.70%016%0.161CC..  trans-92.75.8168.638.7-36.5000113.3F89 F91 R129 L299F89-P114 HydrophobicContact CE2-CG 4.33Å; F89-P114 HydrophobicContact CZ-CG 4Å; F91-P114 HydrophobicContact CD1-CG 3.89Å; F91-P114 HydrophobicContact CD2-CG 4.49Å; F91-P114 HydrophobicContact CE1-CB 4.41Å; F91-P114 HydrophobicContact CE1-CG 3.34Å; F91-P114 HydrophobicContact CE2-CG 3.98Å; F91-P114 HydrophobicContact CG-CG 4.44Å; F91-P114 HydrophobicContact CZ-CG 3.35Å; P114-R129 VanDerWaalsContact O-CZ 3.32Å; P114-R129 PolarHBondContact O-NE 2.98Å; P114-R129 PolarHBondContact O-NH2 3.42Å; P114-L299 HydrophobicContact CB-CB 3.73Å; P114-L299 HydrophobicContact CB-CD1 4.37Å
115S93.7Very high93.2Very high7 Ų725.8 Ų25.85%0.04916%0.161CC..SBendtrans-65178.6175.2-75.10000112.7Y92 T113 R129Y92-S115 PolarHBondContact N-OG 3.48Å; Y92-S115 VanDerWaalsContact N-OG 3.07Å; Y92-S115 PolarHBondContact O-OG 2.92Å; T113-S115 WeakPolarHBondContact OG1-CB 3.29Å; T113-S115 PolarHBondContact OG1-N 3.06Å; S115-R129 VanDerWaalsContact C-CZ 3.48Å; S115-R129 VanDerWaalsContact C-NE 3.35Å; S115-R129 WeakPolarHBondContact O-CB 3.22Å; S115-R129 PolarHBondContact O-NE 3.38Å; S115-R129 VanDerWaalsContact O-NE 3.09Å
116F92.7Very high93.4Very high17 Ų1724.6 Ų24.68%0.07515%0.149CC..PPolyproline II helixtrans-64.5147.8-179.862.1-90000112.1Y92 K94 R156Y92-F116 AromaticContact CD2-CE1 3.84Å; Y92-F116 HydrophobicContact CD2-CE1 3.84Å; Y92-F116 AromaticContact CD2-CZ 3.82Å; Y92-F116 HydrophobicContact CD2-CZ 3.82Å; Y92-F116 HydrophobicContact CE2-CD1 4.13Å; Y92-F116 HydrophobicContact CE2-CD2 4.25Å; Y92-F116 AromaticContact CE2-CE1 3.74Å; Y92-F116 HydrophobicContact CE2-CE1 3.74Å; Y92-F116 AromaticContact CE2-CE2 3.87Å; Y92-F116 HydrophobicContact CE2-CE2 3.87Å; Y92-F116 HydrophobicContact CE2-CG 4.35Å; Y92-F116 AromaticContact CE2-CZ 3.58Å; Y92-F116 HydrophobicContact CE2-CZ 3.58Å; Y92-F116 WeakPolarHBondContact CE2-O 3.44Å; Y92-F116 PolarHBondContact OH-O 2.89Å; K94-F116 HydrophobicContact CB-CE1 4.46Å; K94-F116 HydrophobicContact CB-CZ 4.05Å; K94-F116 HydrophobicContact CD-CE2 4.27Å; K94-F116 HydrophobicContact CD-CZ 4.13Å; F116-R156 VanDerWaalsContact CD2-O 3.32Å; F116-R156 WeakPolarHBondContact CD2-O 3.37Å; F116-R156 VanDerWaalsContact CG-O 3.31Å; F116-R156 WeakPolarHBondContact CG-O 3.46Å
117P92.9Very high93.6Very high34 Ų3421 Ų2122%0.22113%0.127CC..PPolyproline II helixtrans-59.4142.4-179.6-24.634000113.5
118T91.6Very high93.7Very high6 Ų620.9 Ų20.94%0.03713%0.126CC..PPolyproline II helixtrans-73.3146-177.960.80000112.8Y92 V97 T101 G120 H122 Q127Y92-T118 HydrophobicContact CE1-CG2 4.48Å; Y92-T118 WeakPolarHBondContact OH-CG2 3.29Å; V97-T118 HydrophobicContact CG2-CG2 4.01Å; T101-T118 HydrophobicContact CG2-CG2 4.41Å; T118-G120 PolarHBondContact O-N 2.99Å; T118-G120 VanDerWaalsContact O-N 3.1Å; T118-H122 PolarHBondContact OG1-CD2 2.91Å; T118-Q127 PolarHBondContact OG1-NE2 3.39Å
119D84.4Confident93.8Very high66 Ų6619.2 Ų19.235%0.35312%0.118SC..SBendtrans-74.797.2171.2-63.1-44.2000110K94 H122 S159K94-D119 IonicContact NZ-OD2 2.7Å; K94-D119 PolarHBondContact NZ-OD2 3.33Å; D119-H122 PolarHBondContact O-NE2 2.88Å; D119-S159 WeakPolarHBondContact OD1-CB 3.49Å; D119-S159 PolarHBondContact OD1-OG 3.25Å
120G85.7Confident93.8Very high39 Ų3919.2 Ų19.240%0.40212%0.118SC..SBendtrans116.5-159.6179.900000113.9T118 K367T118-G120 PolarHBondContact O-N 2.99Å; T118-G120 VanDerWaalsContact O-N 3.1Å; G120-K367 WeakPolarHBondContact O-CE 3.41Å; G120-K367 PolarHBondContact O-NZ 2.8Å
121T90Very high93.7Very high89 Ų8921.9 Ų21.955%0.54613%0.132SC..  trans-121.5106.5-179.952.20000108.9N365T121-N365 HydrophobicContact CG2-CB 4.28Å
122H92.8Very high93.5Very high49 Ų4922.3 Ų22.323%0.22713%0.134CC..  trans-112.9131.5179.9-57.7-67.4000110.4T101 T118 D119 V125T101-H122 HydrophobicContact CG2-CB 4.02Å; T118-H122 PolarHBondContact OG1-CD2 2.91Å; D119-H122 PolarHBondContact O-NE2 2.88Å; H122-V125 HydrophobicContact CB-CG2 4.2Å
123P92.7Very high93.3Very high66 Ų6624.9 Ų24.943%0.42915%0.145SC..THydrogen-bonded Turntrans-70.9159.1174.232.4-35.4000110.8V125P123-V125 PolarHBondContact O-N 3.29Å
124F95.1Very high93.1Very high9 Ų926 Ų264%0.03916%0.157CC..THydrogen-bonded Turntrans61.518.9179.4-58.1-78.8000115.5C104 H108 V109 F111 V342 E345C104-F124 HydrophobicContact CB-CB 4.06Å; C104-F124 WeakPolarHBondContact O-CD2 3.33Å; H108-F124 HydrophobicContact CB-CD1 4.48Å; H108-F124 HydrophobicContact CB-CE1 3.86Å; H108-F124 HydrophobicContact CB-CE2 4.01Å; H108-F124 HydrophobicContact CB-CZ 3.62Å; H108-F124 AromaticContact CD2-CE2 3.53Å; H108-F124 AromaticContact CD2-CZ 3.17Å; H108-F124 WeakPolarHBondContact CD2-CZ 3.42Å; H108-F124 AromaticContact CG-CE2 3.61Å; H108-F124 AromaticContact CG-CZ 3.46Å; H108-F124 VanDerWaalsContact CG-CZ 3.46Å; H108-F124 AromaticContact NE2-CE2 3.96Å; H108-F124 AromaticContact NE2-CZ 3.98Å; V109-F124 WeakPolarHBondContact O-CB 3.47Å; F111-F124 PolarHBondContact N-O 3.44Å; F124-V342 HydrophobicContact CE1-CG2 4.49Å; F124-V342 HydrophobicContact CZ-CG2 4.07Å; F124-E345 WeakPolarHBondContact CA-OE1 3.44Å; F124-E345 HydrophobicContact CD1-CB 3.92Å; F124-E345 HydrophobicContact CD1-CG 4.16Å; F124-E345 HydrophobicContact CE1-CB 3.95Å; F124-E345 HydrophobicContact CE1-CG 4.46Å; F124-E345 PolarHBondContact N-OE1 3.24Å
125V96.2Very high93.1Very high1 Ų126.1 Ų26.11%0.00616%0.157CC..EExtended strand (participates in β ladder)trans-119.1118.4177.6-175.30000110.3T101 F111 T113 H122 P123 Q127T101-V125 HydrophobicContact CG2-CG2 4.27Å; F111-V125 CarbonylContact O-C 3.59Å; F111-V125 WeakPolarHBondContact O-CA 3.39Å; T113-V125 HydrophobicContact CG2-CG1 4.4Å; H122-V125 HydrophobicContact CB-CG2 4.2Å; P123-V125 PolarHBondContact O-N 3.29Å; V125-Q127 HydrophobicContact CG1-CG 3.85Å
126I97Very high93.2Very high0 Ų025.9 Ų25.90%016%0.156CC..EExtended strand (participates in β ladder)trans-105.4116.3175-52.8-58.7000108.7F111 I112 T113 L348 K349 F362F111-I126 PolarHBondContact O-N 3.31Å; I112-I126 WeakPolarHBondContact CA-O 3.49Å; I112-I126 HydrophobicContact CB-CB 4.5Å; I112-I126 HydrophobicContact CG1-CB 4.1Å; I112-I126 HydrophobicContact CG1-CG1 4.37Å; I112-I126 HydrophobicContact CG2-CB 4.42Å; I112-I126 HydrophobicContact CG2-CG2 4.46Å; T113-I126 PolarHBondContact N-O 3.27Å; I126-L348 HydrophobicContact CD1-CB 4.1Å; I126-L348 HydrophobicContact CG1-CB 4.06Å; I126-L348 HydrophobicContact CG1-CD1 4.14Å; I126-K349 HydrophobicContact CD1-CG 3.81Å; I126-F362 HydrophobicContact CG2-CD1 4Å; I126-F362 HydrophobicContact CG2-CD2 4.46Å; I126-F362 HydrophobicContact CG2-CE1 3.55Å; I126-F362 HydrophobicContact CG2-CE2 4.06Å; I126-F362 HydrophobicContact CG2-CG 4.44Å; I126-F362 HydrophobicContact CG2-CZ 3.58Å
127Q95.7Very high93.3Very high1 Ų126.6 Ų26.61%0.00516%0.16CC..EExtended strand (participates in β ladder)trans-105.4110.3-171.3-56.7173.245.300108.6T113 T118 V125 R129 G366 R368T113-Q127 HydrophobicContact CG2-CG 4.41Å; T118-Q127 PolarHBondContact OG1-NE2 3.39Å; V125-Q127 HydrophobicContact CG1-CG 3.85Å; Q127-R129 VanDerWaalsContact C-N 3.34Å; Q127-G366 PolarHBondContact N-O 3.19Å; Q127-R368 WeakPolarHBondContact O-CG 3.22Å
128M96.6Very high93.4Very high0 Ų025.8 Ų25.80%016%0.156CC..  trans-74.9-27.3-178.3-61.2-61.9-61.700112.2I112 T113 P130 L299 D302 A303 V306 I360 F362 R368I112-M128 HydrophobicContact CG2-CG 4.05Å; I112-M128 HydrophobicContact CG2-SD 4.16Å; T113-M128 WeakPolarHBondContact O-CB 3.26Å; T113-M128 PolarHBondContact O-N 2.88Å; M128-P130 WeakPolarHBondContact O-CD 3.3Å; M128-L299 HydrophobicContact CB-CB 4.17Å; M128-L299 HydrophobicContact CB-CD2 4.25Å; M128-L299 WeakPolarHBondContact O-CD2 3.49Å; M128-D302 HydrophobicContact CE-CB 3.75Å; M128-A303 HydrophobicContact CE-CB 4.24Å; M128-A303 HydrophobicContact CG-CB 3.97Å; M128-A303 HydrophobicContact SD-CB 4.19Å; M128-V306 HydrophobicContact CE-CG2 4.04Å; M128-V306 HydrophobicContact SD-CG2 4.42Å; M128-I360 HydrophobicContact CE-CD1 4.05Å; M128-I360 HydrophobicContact CE-CG2 4.46Å; M128-F362 HydrophobicContact SD-CE1 4.29Å; M128-F362 HydrophobicContact SD-CZ 3.82Å; M128-R368 VanDerWaalsContact O-CG 3.31Å; M128-R368 WeakPolarHBondContact O-CG 3.45Å
129R95.5Very high93.5Very high17 Ų1725.5 Ų25.56%0.06415%0.154CC..SBendtrans-77123.1-179.3-163.9180-54-164.5-17.3110.6P114 S115 Q127 L240 Y295 L299P114-R129 VanDerWaalsContact O-CZ 3.32Å; P114-R129 PolarHBondContact O-NE 2.98Å; P114-R129 PolarHBondContact O-NH2 3.42Å; S115-R129 VanDerWaalsContact C-CZ 3.48Å; S115-R129 VanDerWaalsContact C-NE 3.35Å; S115-R129 WeakPolarHBondContact O-CB 3.22Å; S115-R129 PolarHBondContact O-NE 3.38Å; S115-R129 VanDerWaalsContact O-NE 3.09Å; Q127-R129 VanDerWaalsContact C-N 3.34Å; R129-L240 HydrophobicContact CG-CD1 3.52Å; R129-Y295 PolarHBondContact NH1-OH 2.9Å; R129-Y295 PolarHBondContact NH2-OH 3.18Å; R129-L299 HydrophobicContact CB-CD1 3.98Å; R129-L299 HydrophobicContact CG-CD1 4.17Å
130P94.1Very high94Very high2 Ų222.4 Ų22.41%0.01314%0.137CC..PPolyproline II helixtrans-67.4160.9171.3-18.331.7000113.5M128 I262 R368 Y371M128-P130 WeakPolarHBondContact O-CD 3.3Å; P130-I262 HydrophobicContact CG-CD1 4.14Å; P130-R368 HydrophobicContact CB-CB 4.24Å; P130-R368 HydrophobicContact CG-CB 4.3Å; P130-R368 HydrophobicContact CG-CG 4.22Å; P130-Y371 HydrophobicContact CB-CD1 3.88Å; P130-Y371 HydrophobicContact CB-CD2 3.36Å; P130-Y371 HydrophobicContact CB-CE1 3.99Å; P130-Y371 HydrophobicContact CB-CE2 3.43Å; P130-Y371 VanDerWaalsContact CB-CE2 3.43Å; P130-Y371 HydrophobicContact CB-CG 3.59Å; P130-Y371 HydrophobicContact CG-CD2 3.97Å; P130-Y371 HydrophobicContact CG-CE2 4.5Å; P130-Y371 HydrophobicContact CG-CG 3.97Å
131D92.8Very high94.4Very high57 Ų5724.4 Ų24.431%0.30514%0.136SC..PPolyproline II helixtrans-75.3130.1174.7-168.11.2000110.5K133 Y371D131-K133 VanDerWaalsContact CG-CE 3.43Å; D131-K133 WeakPolarHBondContact OD1-CB 3.36Å; D131-K133 WeakPolarHBondContact OD1-CE 3.4Å; D131-K133 VanDerWaalsContact OD1-CG 3.27Å; D131-K133 WeakPolarHBondContact OD1-CG 3.41Å; D131-K133 PolarHBondContact OD1-N 3.28Å; D131-K133 VanDerWaalsContact OD1-N 3.1Å; D131-K133 WeakPolarHBondContact OD2-CE 3.5Å; D131-K133 IonicContact OD2-NZ 2.62Å; D131-Y371 PolarHBondContact O-OH 3.48Å; D131-Y371 VanDerWaalsContact O-OH 3.1Å
132L94.1Very high94.5Very high8 Ų825.4 Ų25.44%0.04213%0.13CC..  trans-92.1-17.1-178.8-172.858.7000112.7G134 A135 L136 A238 L240 F260 I373L132-G134 PolarHBondContact O-N 3.12Å; L132-A135 HydrophobicContact CD1-CB 4.3Å; L132-A135 PolarHBondContact O-N 3.3Å; L132-L136 WeakPolarHBondContact O-CB 3.39Å; L132-L136 PolarHBondContact O-N 3.37Å; L132-A238 VanDerWaalsContact CD2-C 3.4Å; L132-A238 HydrophobicContact CD2-CB 4.28Å; L132-A238 WeakPolarHBondContact CD2-O 3.29Å; L132-L240 HydrophobicContact CD1-CD2 3.91Å; L132-F260 HydrophobicContact CD1-CB 4.09Å; L132-F260 HydrophobicContact CD1-CD1 4.24Å; L132-F260 HydrophobicContact CD1-CD2 3.75Å; L132-F260 HydrophobicContact CD1-CE2 4.23Å; L132-F260 HydrophobicContact CD1-CG 3.75Å; L132-F260 HydrophobicContact CD2-CD2 4.41Å; L132-I373 HydrophobicContact CD1-CD1 4.27Å
133K93.5Very high94.4Very high55 Ų5525.3 Ų25.324%0.23913%0.129CC..Hα-helixtrans-57.6-48.3-170.4-67.8-179-60.3175.80112.7D131 A135 L136 L137 S159 T160 A163D131-K133 VanDerWaalsContact CG-CE 3.43Å; D131-K133 WeakPolarHBondContact OD1-CB 3.36Å; D131-K133 WeakPolarHBondContact OD1-CE 3.4Å; D131-K133 VanDerWaalsContact OD1-CG 3.27Å; D131-K133 WeakPolarHBondContact OD1-CG 3.41Å; D131-K133 PolarHBondContact OD1-N 3.28Å; D131-K133 VanDerWaalsContact OD1-N 3.1Å; D131-K133 WeakPolarHBondContact OD2-CE 3.5Å; D131-K133 IonicContact OD2-NZ 2.62Å; K133-A135 PolarHBondContact O-N 3.44Å; K133-L136 PolarHBondContact O-N 3.12Å; K133-L137 WeakPolarHBondContact O-CG 3.39Å; K133-L137 PolarHBondContact O-N 2.73Å; K133-S159 WeakPolarHBondContact CD-O 3.27Å; K133-T160 HydrophobicContact CG-CG2 3.93Å; K133-A163 HydrophobicContact CB-CB 4.32Å; K133-A163 HydrophobicContact CD-CB 3.77Å; K133-A163 HydrophobicContact CG-CB 4.19Å
134G92.7Very high94.3Very high24 Ų2430.1 Ų30.125%0.24715%0.145CC..Hα-helixtrans-62.9-42.2-179.100000113L132 S138 W389L132-G134 PolarHBondContact O-N 3.12Å; G134-S138 WeakPolarHBondContact O-CB 3.47Å; G134-S138 PolarHBondContact O-N 2.85Å; G134-S138 VanDerWaalsContact O-N 3.08Å; G134-S138 PolarHBondContact O-OG 2.87Å; G134-W389 VanDerWaalsContact C-CE2 3.47Å; G134-W389 PolarHBondContact O-NE1 3.25Å
135A94.8Very high94.2Very high1 Ų130.1 Ų30.11%0.00815%0.145CC..Hα-helixtrans-66.3-41.7177.100000112L132 K133 S138 L139 F260 I373 W389L132-A135 HydrophobicContact CD1-CB 4.3Å; L132-A135 PolarHBondContact O-N 3.3Å; K133-A135 PolarHBondContact O-N 3.44Å; A135-S138 PolarHBondContact O-N 2.93Å; A135-L139 WeakPolarHBondContact O-CB 3.28Å; A135-L139 PolarHBondContact O-N 3.18Å; A135-F260 HydrophobicContact CB-CD1 4.21Å; A135-F260 HydrophobicContact CB-CE1 4.03Å; A135-I373 HydrophobicContact CB-CD1 4Å; A135-W389 HydrophobicContact CB-CB 4.1Å; A135-W389 HydrophobicContact CB-CD2 3.68Å; A135-W389 HydrophobicContact CB-CE3 3.91Å; A135-W389 HydrophobicContact CB-CG 3.75Å
136L95.5Very high93.9Very high2 Ų234.8 Ų34.81%0.0117%0.17CC..Hα-helixtrans-63.2-48.4177.9-179.162.3000112.2L132 K133 S138 L139 I140 Y150 V164 I208 I236 A238 F260L132-L136 WeakPolarHBondContact O-CB 3.39Å; L132-L136 PolarHBondContact O-N 3.37Å; K133-L136 PolarHBondContact O-N 3.12Å; L136-S138 VanDerWaalsContact C-N 3.33Å; L136-S138 PolarHBondContact O-N 3.29Å; L136-L139 PolarHBondContact O-N 3.34Å; L136-I140 HydrophobicContact CD1-CD1 4.47Å; L136-I140 HydrophobicContact CG-CD1 4.24Å; L136-I140 WeakPolarHBondContact O-CG1 3.3Å; L136-I140 PolarHBondContact O-N 3.14Å; L136-Y150 HydrophobicContact CD2-CE2 4.23Å; L136-V164 HydrophobicContact CD2-CG2 4.1Å; L136-I208 HydrophobicContact CD1-CG2 4.29Å; L136-I236 HydrophobicContact CD1-CG2 3.98Å; L136-A238 HydrophobicContact CD1-CB 4.31Å; L136-A238 HydrophobicContact CD2-CB 4.24Å; L136-F260 HydrophobicContact CB-CZ 4.28Å; L136-F260 HydrophobicContact CD1-CE2 3.98Å; L136-F260 HydrophobicContact CD1-CZ 3.99Å
137L95.1Very high93.7Very high32 Ų3237.5 Ų37.517%0.16818%0.182CC..Hα-helixtrans-61.9-42178.3-67.9174.1000111.7K133 L139 I140 E141 V164 S167 W173K133-L137 WeakPolarHBondContact O-CG 3.39Å; K133-L137 PolarHBondContact O-N 2.73Å; L137-L139 VanDerWaalsContact C-N 3.29Å; L137-L139 PolarHBondContact O-N 2.79Å; L137-I140 PolarHBondContact O-N 3.34Å; L137-E141 WeakPolarHBondContact O-CG 3.04Å; L137-E141 PolarHBondContact O-N 3Å; L137-V164 HydrophobicContact CD2-CG2 4.18Å; L137-S167 WeakPolarHBondContact CD1-OG 3.3Å; L137-S167 WeakPolarHBondContact CD2-OG 3.47Å; L137-W173 HydrophobicContact CD2-CH2 4.24Å; L137-W173 HydrophobicContact CD2-CZ3 3.95Å
138S94.8Very high93.7Very high18 Ų1837.5 Ų37.513%0.12618%0.182CC..Hα-helixtrans-64-35.4177.2-55.50000112G134 A135 L136 E141 Y142 W389G134-S138 WeakPolarHBondContact O-CB 3.47Å; G134-S138 PolarHBondContact O-N 2.85Å; G134-S138 VanDerWaalsContact O-N 3.08Å; G134-S138 PolarHBondContact O-OG 2.87Å; A135-S138 PolarHBondContact O-N 2.93Å; L136-S138 VanDerWaalsContact C-N 3.33Å; L136-S138 PolarHBondContact O-N 3.29Å; S138-E141 PolarHBondContact O-N 3.46Å; S138-Y142 WeakPolarHBondContact O-CB 3.13Å; S138-Y142 PolarHBondContact O-N 3.34Å; S138-W389 PolarHBondContact OG-NE1 2.8Å
139L94.7Very high93.7Very high0 Ų037.5 Ų37.50%018%0.182CC..Hα-helixtrans-68.9-39.4176.2-172.162.7000112.3A135 L136 L137 E141 Y142 Y143 I236 F260 I375 M395A135-L139 WeakPolarHBondContact O-CB 3.28Å; A135-L139 PolarHBondContact O-N 3.18Å; L136-L139 PolarHBondContact O-N 3.34Å; L137-L139 VanDerWaalsContact C-N 3.29Å; L137-L139 PolarHBondContact O-N 2.79Å; L139-E141 VanDerWaalsContact C-N 3.33Å; L139-Y142 HydrophobicContact CD1-CD1 4.3Å; L139-Y142 PolarHBondContact O-N 3.43Å; L139-Y143 HydrophobicContact CD1-CD2 3.9Å; L139-Y143 HydrophobicContact CD1-CE2 3.43Å; L139-Y143 VanDerWaalsContact CD1-CE2 3.43Å; L139-Y143 HydrophobicContact CD2-CE2 4.18Å; L139-Y143 HydrophobicContact CG-CD2 3.89Å; L139-Y143 HydrophobicContact CG-CE2 3.69Å; L139-Y143 VanDerWaalsContact O-CD2 3.3Å; L139-Y143 WeakPolarHBondContact O-CD2 3.27Å; L139-Y143 PolarHBondContact O-N 3.35Å; L139-I236 HydrophobicContact CD2-CD1 4.14Å; L139-I236 HydrophobicContact CD2-CG1 4.43Å; L139-I236 HydrophobicContact CD2-CG2 3.97Å; L139-I236 HydrophobicContact CG-CD1 4.37Å; L139-F260 HydrophobicContact CB-CE1 4.12Å; L139-F260 HydrophobicContact CB-CZ 4.01Å; L139-F260 HydrophobicContact CD2-CE1 3.72Å; L139-F260 HydrophobicContact CD2-CE2 4.2Å; L139-F260 HydrophobicContact CD2-CZ 3.38Å; L139-F260 HydrophobicContact CG-CE1 4.49Å; L139-F260 HydrophobicContact CG-CZ 4.32Å; L139-I375 HydrophobicContact CD1-CG2 3.74Å; L139-I375 HydrophobicContact CD2-CG2 4.4Å; L139-M395 HydrophobicContact CD1-CE 3.77Å; L139-M395 HydrophobicContact CD1-SD 4.02Å
140I95.2Very high93.8Very high0 Ų036.7 Ų36.70%018%0.179CC..Hα-helixtrans-62.6-42.5175-65.3168.1000110.2L136 L137 Q144 W145 F148 W173 I208L136-I140 HydrophobicContact CD1-CD1 4.47Å; L136-I140 HydrophobicContact CG-CD1 4.24Å; L136-I140 WeakPolarHBondContact O-CG1 3.3Å; L136-I140 PolarHBondContact O-N 3.14Å; L137-I140 PolarHBondContact O-N 3.34Å; I140-Q144 PolarHBondContact O-N 3.08Å; I140-Q144 VanDerWaalsContact O-N 3.14Å; I140-W145 HydrophobicContact CG2-CB 4.06Å; I140-W145 PolarHBondContact O-N 3.33Å; I140-F148 HydrophobicContact CD1-CE2 4.47Å; I140-F148 HydrophobicContact CD1-CZ 4.09Å; I140-F148 HydrophobicContact CG2-CE1 3.93Å; I140-F148 HydrophobicContact CG2-CZ 4.27Å; I140-W173 HydrophobicContact CB-CH2 4.25Å; I140-W173 HydrophobicContact CG2-CD2 4.45Å; I140-W173 HydrophobicContact CG2-CE3 4.4Å; I140-W173 HydrophobicContact CG2-CH2 3.71Å; I140-W173 HydrophobicContact CG2-CZ2 3.74Å; I140-W173 HydrophobicContact CG2-CZ3 4.05Å; I140-I208 HydrophobicContact CD1-CD1 3.66Å; I140-I208 HydrophobicContact CG1-CD1 4Å
141E93Very high93.8Very high82 Ų8236.6 Ų36.638%0.38318%0.178SC..Hα-helixtrans-65.6-41.9175.3-71.6-169.7153.100112.3L137 S138 L139 Y143 Q144 K171 W173L137-E141 WeakPolarHBondContact O-CG 3.04Å; L137-E141 PolarHBondContact O-N 3Å; S138-E141 PolarHBondContact O-N 3.46Å; L139-E141 VanDerWaalsContact C-N 3.33Å; E141-Y143 VanDerWaalsContact C-N 3.34Å; E141-Y143 PolarHBondContact O-N 3.13Å; E141-Q144 PolarHBondContact O-N 3.44Å; E141-K171 VanDerWaalsContact OE1-CE 3.31Å; E141-K171 WeakPolarHBondContact OE1-CE 3.36Å; E141-K171 IonicContact OE1-NZ 2.8Å; E141-K171 PolarHBondContact OE1-NZ 3.15Å; E141-W173 HydrophobicContact CG-CH2 4.41Å; E141-W173 HydrophobicContact CG-CZ2 4.09Å
142Y92.1Very high93.9Very high109 Ų10935.9 Ų35.943%0.42717%0.171SC..Hα-helixtrans-58.6-44.4176.5173.1-103.2000112.1S138 L139 Q144 I386 M395 V397S138-Y142 WeakPolarHBondContact O-CB 3.13Å; S138-Y142 PolarHBondContact O-N 3.34Å; L139-Y142 HydrophobicContact CD1-CD1 4.3Å; L139-Y142 PolarHBondContact O-N 3.43Å; Y142-Q144 PolarHBondContact O-N 3.04Å; Y142-I386 HydrophobicContact CE1-CD1 4.39Å; Y142-M395 HydrophobicContact CD1-CE 3.66Å; Y142-M395 HydrophobicContact CD1-SD 4.29Å; Y142-M395 HydrophobicContact CD2-CE 4.11Å; Y142-M395 HydrophobicContact CD2-SD 4.31Å; Y142-M395 HydrophobicContact CE1-CE 4.06Å; Y142-M395 HydrophobicContact CE2-CE 4.49Å; Y142-M395 HydrophobicContact CG-CE 3.69Å; Y142-M395 HydrophobicContact CG-SD 3.81Å; Y142-V397 HydrophobicContact CD2-CG2 4.26Å; Y142-V397 HydrophobicContact CE2-CG2 3.58Å
143Y91.5Very high93.8Very high48 Ų4835.6 Ų35.619%0.18817%0.17CC..THydrogen-bonded Turntrans-78-3.6175.7-71.4-56.8000114.4L139 E141 W145 H234 I236 S258L139-Y143 HydrophobicContact CD1-CD2 3.9Å; L139-Y143 HydrophobicContact CD1-CE2 3.43Å; L139-Y143 VanDerWaalsContact CD1-CE2 3.43Å; L139-Y143 HydrophobicContact CD2-CE2 4.18Å; L139-Y143 HydrophobicContact CG-CD2 3.89Å; L139-Y143 HydrophobicContact CG-CE2 3.69Å; L139-Y143 VanDerWaalsContact O-CD2 3.3Å; L139-Y143 WeakPolarHBondContact O-CD2 3.27Å; L139-Y143 PolarHBondContact O-N 3.35Å; E141-Y143 VanDerWaalsContact C-N 3.34Å; E141-Y143 PolarHBondContact O-N 3.13Å; Y143-W145 VanDerWaalsContact C-N 3.27Å; Y143-W145 VanDerWaalsContact CB-CD1 3.46Å; Y143-W145 PolarHBondContact O-N 2.95Å; Y143-H234 AromaticContact CD1-CE1 3.78Å; Y143-H234 AromaticContact CD2-CE1 3.95Å; Y143-H234 AromaticContact CE1-CE1 3.63Å; Y143-H234 AromaticContact CE2-CE1 3.77Å; Y143-H234 AromaticContact CE2-NE2 3.88Å; Y143-H234 AromaticContact CG-CE1 3.95Å; Y143-H234 AromaticContact CZ-CE1 3.63Å; Y143-H234 AromaticContact CZ-NE2 3.85Å; Y143-I236 HydrophobicContact CD2-CD1 4.17Å; Y143-I236 HydrophobicContact CE2-CD1 4.41Å; Y143-S258 PolarHBondContact OH-OG 3.45Å
144Q90.6Very high93.6Very high167 Ų16734.8 Ų34.878%0.7817%0.171SC*.THydrogen-bonded Turntrans53.242.5-178.7-58.2-177.7-1900113I140 E141 Y142I140-Q144 PolarHBondContact O-N 3.08Å; I140-Q144 VanDerWaalsContact O-N 3.14Å; E141-Q144 PolarHBondContact O-N 3.44Å; Y142-Q144 PolarHBondContact O-N 3.04Å
145W93.2Very high93.1Very high8 Ų836.5 Ų36.53%0.0318%0.175CC..  trans-75.1133.7178-74.411.5000111.4I140 Y143 F148 W173 R206 I208 H234 I236I140-W145 HydrophobicContact CG2-CB 4.06Å; I140-W145 PolarHBondContact O-N 3.33Å; Y143-W145 VanDerWaalsContact C-N 3.27Å; Y143-W145 VanDerWaalsContact CB-CD1 3.46Å; Y143-W145 PolarHBondContact O-N 2.95Å; W145-F148 HydrophobicContact CB-CD1 4.05Å; W145-F148 HydrophobicContact CB-CE1 4.48Å; W145-F148 HydrophobicContact CE3-CB 3.71Å; W145-F148 AromaticContact CE3-CD1 3.95Å; W145-F148 HydrophobicContact CE3-CD1 3.95Å; W145-F148 AromaticContact CE3-CG 3.85Å; W145-F148 HydrophobicContact CE3-CG 3.85Å; W145-F148 HydrophobicContact CZ3-CB 3.99Å; W145-F148 HydrophobicContact CZ3-CG 4.35Å; W145-W173 PolarHBondContact O-NE1 3.08Å; W145-R206 HydrophobicContact CD2-CB 4.05Å; W145-R206 HydrophobicContact CD2-CG 4Å; W145-R206 HydrophobicContact CE3-CB 3.89Å; W145-R206 HydrophobicContact CE3-CG 4.37Å; W145-R206 HydrophobicContact CH2-CB 3.75Å; W145-R206 HydrophobicContact CH2-CG 4.18Å; W145-R206 HydrophobicContact CZ2-CB 3.93Å; W145-R206 HydrophobicContact CZ2-CG 3.82Å; W145-R206 HydrophobicContact CZ3-CB 3.73Å; W145-R206 HydrophobicContact CZ3-CG 4.44Å; W145-I208 HydrophobicContact CE3-CD1 4.49Å; W145-I208 HydrophobicContact CZ3-CD1 4.14Å; W145-I208 HydrophobicContact CZ3-CG1 3.73Å; W145-H234 HydrophobicContact CZ2-CB 3.88Å; W145-H234 AromaticContact CZ2-CD2 3.92Å; W145-H234 AromaticContact CZ2-CE1 3.83Å; W145-H234 AromaticContact CZ2-CG 3.52Å; W145-H234 AromaticContact CZ2-ND1 3.49Å; W145-H234 WeakPolarHBondContact CZ2-ND1 3.37Å; W145-H234 AromaticContact NE1-ND1 3.91Å; W145-I236 HydrophobicContact CE3-CD1 4.2Å; W145-I236 HydrophobicContact CH2-CD1 3.43Å; W145-I236 VanDerWaalsContact CH2-CD1 3.43Å; W145-I236 HydrophobicContact CH2-CG1 3.63Å; W145-I236 HydrophobicContact CZ2-CD1 3.85Å; W145-I236 HydrophobicContact CZ2-CG1 4.17Å; W145-I236 HydrophobicContact CZ3-CD1 3.62Å; W145-I236 HydrophobicContact CZ3-CG1 4.19Å
146D90.3Very high92.5Very high99 Ų9937.7 Ų37.753%0.52918%0.179SC..SBendtrans-111.3-30.9177.660.7-21.8000112.9W173 Q174 R206D146-W173 CarbonylContact O-C 3.59Å; D146-W173 VanDerWaalsContact O-CA 3.32Å; D146-W173 WeakPolarHBondContact O-CA 3.31Å; D146-Q174 PolarHBondContact O-N 3.06Å; D146-R206 IonicContact OD1-CZ 3.87Å; D146-R206 IonicContact OD1-NH1 3.57Å; D146-R206 PolarHBondContact OD1-NH1 3.48Å
147K92Very high91.9Very high58 Ų5837.8 Ų37.825%0.25218%0.18SC..EExtended strand (participates in β ladder)trans-137.7129.5179.3179.4-178.1168.3-165.30110.7Q174 K202 E204 R206K147-Q174 WeakPolarHBondContact CA-O 3.35Å; K147-Q174 HydrophobicContact CB-CB 4.17Å; K147-Q174 HydrophobicContact CG-CB 4.03Å; K147-K202 PolarHBondContact NZ-O 3.26Å; K147-E204 VanDerWaalsContact CE-CD 3.5Å; K147-E204 WeakPolarHBondContact CE-OE1 3.48Å; K147-E204 WeakPolarHBondContact CE-OE2 3.37Å; K147-E204 IonicContact NZ-OE1 2.9Å; K147-R206 VanDerWaalsContact O-CD 3.3Å; K147-R206 WeakPolarHBondContact O-CD 3.43Å; K147-R206 PolarHBondContact O-NH1 2.72Å
148F95.9Very high91.7Very high0 Ų039.7 Ų39.70%019%0.191CC..EExtended strand (participates in β ladder)trans-160.5161.8179.454.9-90000112.7I140 W145 V164 W173 Q174 V175 T176 R206 I208I140-F148 HydrophobicContact CD1-CE2 4.47Å; I140-F148 HydrophobicContact CD1-CZ 4.09Å; I140-F148 HydrophobicContact CG2-CE1 3.93Å; I140-F148 HydrophobicContact CG2-CZ 4.27Å; W145-F148 HydrophobicContact CB-CD1 4.05Å; W145-F148 HydrophobicContact CB-CE1 4.48Å; W145-F148 HydrophobicContact CE3-CB 3.71Å; W145-F148 AromaticContact CE3-CD1 3.95Å; W145-F148 HydrophobicContact CE3-CD1 3.95Å; W145-F148 AromaticContact CE3-CG 3.85Å; W145-F148 HydrophobicContact CE3-CG 3.85Å; W145-F148 HydrophobicContact CZ3-CB 3.99Å; W145-F148 HydrophobicContact CZ3-CG 4.35Å; F148-V164 HydrophobicContact CE2-CG1 4.11Å; F148-V164 HydrophobicContact CZ-CG1 4.17Å; F148-W173 HydrophobicContact CE1-CB 4.24Å; F148-W173 HydrophobicContact CE1-CD2 4.26Å; F148-W173 HydrophobicContact CE1-CE3 4.27Å; F148-W173 HydrophobicContact CE1-CG 4.29Å; F148-W173 HydrophobicContact CZ-CE3 4.1Å; F148-Q174 PolarHBondContact N-O 3.39Å; F148-Q174 VanDerWaalsContact N-O 3.15Å; F148-V175 HydrophobicContact CD2-CG1 4.36Å; F148-V175 HydrophobicContact CD2-CG2 4.49Å; F148-V175 HydrophobicContact CE1-CG2 4.18Å; F148-V175 HydrophobicContact CE2-CB 4.41Å; F148-V175 HydrophobicContact CE2-CG1 3.92Å; F148-V175 HydrophobicContact CE2-CG2 3.75Å; F148-V175 HydrophobicContact CZ-CG2 3.57Å; F148-V175 WeakPolarHBondContact O-CA 3.33Å; F148-T176 PolarHBondContact O-N 3.38Å; F148-R206 WeakPolarHBondContact CA-O 3.01Å; F148-R206 HydrophobicContact CB-CB 3.73Å; F148-I208 HydrophobicContact CD2-CD1 3.66Å; F148-I208 HydrophobicContact CD2-CG1 4.06Å; F148-I208 HydrophobicContact CE2-CD1 3.62Å; F148-I208 HydrophobicContact CE2-CG1 4.48Å; F148-I208 HydrophobicContact CG-CD1 4.46Å; F148-I208 HydrophobicContact CZ-CD1 4.38Å
149A96.4Very high91.5Very high0 Ų040.3 Ų40.30%020%0.195CC..EExtended strand (participates in β ladder)trans-97.2142171.800000111T176 L199 R206 V207 I208A149-T176 CarbonylContact C-O 3.56Å; A149-T176 WeakPolarHBondContact CA-O 3.41Å; A149-L199 HydrophobicContact CB-CD1 4.46Å; A149-L199 HydrophobicContact CB-CD2 3.68Å; A149-R206 PolarHBondContact N-O 2.91Å; A149-V207 HydrophobicContact CB-CG2 4.42Å; A149-V207 CarbonylContact O-C 3.52Å; A149-V207 WeakPolarHBondContact O-CA 3.48Å; A149-I208 PolarHBondContact O-N 3.06Å
150Y96.6Very high91.4Very high0 Ų041.3 Ų41.30%020%0.201CC..EExtended strand (participates in β ladder)trans-120.3102.5179.5-166.2-88.1000109.4L136 Y152 L161 V164 T176 A177 I178 I208 D210L136-Y150 HydrophobicContact CD2-CE2 4.23Å; Y150-Y152 HydrophobicContact CD1-CD1 4.02Å; Y150-Y152 HydrophobicContact CD1-CG 4.3Å; Y150-Y152 HydrophobicContact CE1-CD1 4.45Å; Y150-Y152 HydrophobicContact CE1-CG 4.29Å; Y150-L161 HydrophobicContact CD1-CD1 3.62Å; Y150-L161 HydrophobicContact CE1-CB 4.1Å; Y150-L161 HydrophobicContact CE1-CD1 3.81Å; Y150-L161 HydrophobicContact CG-CD1 4.37Å; Y150-V164 HydrophobicContact CD2-CG1 4.38Å; Y150-V164 HydrophobicContact CE2-CG2 3.98Å; Y150-T176 PolarHBondContact N-O 3.08Å; Y150-A177 CarbonylContact O-C 3.58Å; Y150-A177 WeakPolarHBondContact O-CA 3.28Å; Y150-I178 PolarHBondContact O-N 2.87Å; Y150-I208 HydrophobicContact CD2-CB 3.78Å; Y150-I208 HydrophobicContact CD2-CD1 4.14Å; Y150-I208 HydrophobicContact CD2-CG1 4.44Å; Y150-I208 HydrophobicContact CD2-CG2 3.82Å; Y150-I208 HydrophobicContact CE2-CB 4.21Å; Y150-I208 HydrophobicContact CE2-CG2 3.7Å; Y150-D210 HydrophobicContact CE1-CB 3.93Å; Y150-D210 WeakPolarHBondContact OH-CB 3.36Å; Y150-D210 PolarHBondContact OH-OD2 2.85Å
151L95.5Very high91.4Very high0 Ų042 Ų420%020%0.204CC..EExtended strand (participates in β ladder)trans-92.5121176.2-56.4-173.5000108.4I178 V180 L195 V207 I208 L209 D210L151-I178 WeakPolarHBondContact CA-O 3.42Å; L151-I178 HydrophobicContact CD2-CB 3.83Å; L151-I178 HydrophobicContact CD2-CD1 4.26Å; L151-I178 HydrophobicContact CD2-CG1 4.38Å; L151-V180 HydrophobicContact CB-CG1 4.12Å; L151-V180 HydrophobicContact CD2-CG1 4.2Å; L151-L195 HydrophobicContact CD1-CD2 4.18Å; L151-L195 HydrophobicContact CD2-CD1 4.32Å; L151-L195 HydrophobicContact CD2-CD2 4.15Å; L151-V207 HydrophobicContact CD1-CG1 3.9Å; L151-V207 HydrophobicContact CG-CG1 3.96Å; L151-I208 PolarHBondContact N-O 3.17Å; L151-L209 HydrophobicContact CB-CD2 3.99Å; L151-L209 HydrophobicContact CD1-CD2 3.7Å; L151-L209 HydrophobicContact CG-CD2 4.2Å; L151-D210 PolarHBondContact O-N 3Å
152Y94.6Very high91.4Very high42 Ų4243.4 Ų43.417%0.16521%0.211CC..EExtended strand (participates in β ladder)trans-133.5153-173.471.8-85.9000113.1Y150 L158 L161 A177 I178 N179 V180 D210Y150-Y152 HydrophobicContact CD1-CD1 4.02Å; Y150-Y152 HydrophobicContact CD1-CG 4.3Å; Y150-Y152 HydrophobicContact CE1-CD1 4.45Å; Y150-Y152 HydrophobicContact CE1-CG 4.29Å; Y152-L158 HydrophobicContact CD2-CD2 3.83Å; Y152-L158 HydrophobicContact CE2-CD2 3.46Å; Y152-L158 VanDerWaalsContact CE2-CD2 3.46Å; Y152-L161 HydrophobicContact CD1-CD1 4.43Å; Y152-L161 HydrophobicContact CD1-CD2 4.04Å; Y152-L161 HydrophobicContact CD2-CD2 4.13Å; Y152-L161 HydrophobicContact CE1-CD2 3.73Å; Y152-L161 HydrophobicContact CE2-CD2 3.85Å; Y152-L161 HydrophobicContact CG-CD2 4.22Å; Y152-A177 HydrophobicContact CE1-CB 4.2Å; Y152-I178 VanDerWaalsContact CD1-O 3.28Å; Y152-I178 WeakPolarHBondContact CD1-O 3.47Å; Y152-I178 VanDerWaalsContact CE1-C 3.47Å; Y152-I178 PolarHBondContact N-O 3.3Å; Y152-I178 VanDerWaalsContact N-O 3.09Å; Y152-N179 HydrophobicContact CE1-CB 4.15Å; Y152-N179 HydrophobicContact CE2-CB 3.99Å; Y152-N179 WeakPolarHBondContact O-CA 3.5Å; Y152-N179 PolarHBondContact O-OD1 3.41Å; Y152-V180 WeakPolarHBondContact O-CG2 3.48Å; Y152-V180 PolarHBondContact O-N 3.41Å; Y152-D210 WeakPolarHBondContact CA-O 3.45Å
153D91.4Very high91.5Very high2 Ų239.1 Ų39.11%0.01120%0.198CC..  trans-106.8141.4170.7-157-24.7000111D155 G181 D210 C211D153-D155 VanDerWaalsContact C-N 3.28Å; D153-D155 PolarHBondContact O-N 3.34Å; D153-D155 PolarHBondContact OD1-N 2.7Å; D153-G181 VanDerWaalsContact OD1-CA 3.26Å; D153-G181 WeakPolarHBondContact OD1-CA 3.3Å; D153-D210 PolarHBondContact N-O 3.17Å; D153-D210 VanDerWaalsContact N-O 3.09Å; D153-C211 HydrophobicContact CB-CB 4.44Å
154S89Confident91.7Very high38 Ų3836.9 Ų36.927%0.26619%0.19SC..SBendtrans-72.5-20.7176.646.20000113.7R156 G157S154-R156 VanDerWaalsContact C-N 3.3Å; S154-R156 PolarHBondContact O-N 3Å; S154-G157 PolarHBondContact O-N 3.33Å
155D83.5Confident91.9Very high61 Ų6132.7 Ų32.733%0.32617%0.172SC..THydrogen-bonded Turntrans-66.1-31.2-171.2-66.9-9.5000112.7D153 G157D153-D155 VanDerWaalsContact C-N 3.28Å; D153-D155 PolarHBondContact O-N 3.34Å; D153-D155 PolarHBondContact OD1-N 2.7Å; D155-G157 VanDerWaalsContact C-N 3.3Å; D155-G157 PolarHBondContact O-N 3.12Å
156R82.3Confident91.9Very high25 Ų2537.9 Ų37.99%0.09420%0.2CC..THydrogen-bonded Turntrans-84.5-0.8176.1-63.5-178.665.2-160.44.4114F116 S154 D210 E212 A238F116-R156 VanDerWaalsContact CD2-O 3.32Å; F116-R156 WeakPolarHBondContact CD2-O 3.37Å; F116-R156 VanDerWaalsContact CG-O 3.31Å; F116-R156 WeakPolarHBondContact CG-O 3.46Å; S154-R156 VanDerWaalsContact C-N 3.3Å; S154-R156 PolarHBondContact O-N 3Å; R156-D210 IonicContact CZ-OD1 3.57Å; R156-D210 IonicContact NH1-OD1 2.68Å; R156-D210 PolarHBondContact NH1-OD1 2.87Å; R156-E212 HydrophobicContact CG-CG 3.96Å; R156-A238 PolarHBondContact NH1-O 3.28Å
157G82.3Confident92.1Very high4 Ų434.2 Ų34.24%0.04118%0.183CC..  trans84.9172.1-169.800000113.5S154 D155S154-G157 PolarHBondContact O-N 3.33Å; D155-G157 VanDerWaalsContact C-N 3.3Å; D155-G157 PolarHBondContact O-N 3.12Å
158L90.6Very high92.3Very high73 Ų7331.9 Ų31.938%0.38217%0.174SC..SBendtrans-108.67.7-172.3-61.5165.5000112.9Y152 T160 L161 Q162Y152-L158 HydrophobicContact CD2-CD2 3.83Å; Y152-L158 HydrophobicContact CE2-CD2 3.46Å; Y152-L158 VanDerWaalsContact CE2-CD2 3.46Å; L158-T160 VanDerWaalsContact C-N 3.33Å; L158-T160 PolarHBondContact O-N 3.42Å; L158-L161 HydrophobicContact CD2-CD2 4.09Å; L158-L161 PolarHBondContact O-N 3.49Å; L158-Q162 WeakPolarHBondContact O-CG 3.48Å; L158-Q162 PolarHBondContact O-N 3.45Å
159S91.2Very high92.1Very high30 Ų3035.8 Ų35.821%0.2121%0.206CC..Hα-helixtrans-61.5-40.2-175.2-149.10000112.3D119 K133 A163D119-S159 WeakPolarHBondContact OD1-CB 3.49Å; D119-S159 PolarHBondContact OD1-OG 3.25Å; K133-S159 WeakPolarHBondContact CD-O 3.27Å; S159-A163 PolarHBondContact O-N 3.47Å
160T92.3Very high92.1Very high22 Ų2242.8 Ų42.814%0.13524%0.239CC..Hα-helixtrans-65.1-47176.444.70000111.4K133 L158 Q162 A163 V164 D210K133-T160 HydrophobicContact CG-CG2 3.93Å; L158-T160 VanDerWaalsContact C-N 3.33Å; L158-T160 PolarHBondContact O-N 3.42Å; T160-Q162 PolarHBondContact O-N 3.42Å; T160-A163 PolarHBondContact O-N 2.92Å; T160-V164 WeakPolarHBondContact O-CG2 3.35Å; T160-V164 PolarHBondContact O-N 2.88Å; T160-V164 VanDerWaalsContact O-N 3.1Å; T160-D210 WeakPolarHBondContact CB-OD2 3.49Å; T160-D210 PolarHBondContact OG1-OD2 2.7Å
161L93.9Very high91.9Very high14 Ų1447.4 Ų47.47%0.07326%0.259CS..Hα-helixtrans-59.6-45.4176.3176.763.4000111.9Y150 Y152 L158 A163 V164 L165 A177Y150-L161 HydrophobicContact CD1-CD1 3.62Å; Y150-L161 HydrophobicContact CE1-CB 4.1Å; Y150-L161 HydrophobicContact CE1-CD1 3.81Å; Y150-L161 HydrophobicContact CG-CD1 4.37Å; Y152-L161 HydrophobicContact CD1-CD1 4.43Å; Y152-L161 HydrophobicContact CD1-CD2 4.04Å; Y152-L161 HydrophobicContact CD2-CD2 4.13Å; Y152-L161 HydrophobicContact CE1-CD2 3.73Å; Y152-L161 HydrophobicContact CE2-CD2 3.85Å; Y152-L161 HydrophobicContact CG-CD2 4.22Å; L158-L161 HydrophobicContact CD2-CD2 4.09Å; L158-L161 PolarHBondContact O-N 3.49Å; L161-A163 PolarHBondContact O-N 2.82Å; L161-V164 PolarHBondContact O-N 3.19Å; L161-L165 HydrophobicContact CD1-CD1 4.15Å; L161-L165 HydrophobicContact CD1-CG 4.18Å; L161-L165 HydrophobicContact CG-CD1 4.05Å; L161-L165 HydrophobicContact CG-CG 4.47Å; L161-L165 WeakPolarHBondContact O-CG 3.42Å; L161-L165 PolarHBondContact O-N 2.84Å; L161-A177 HydrophobicContact CD1-CB 3.93Å
162Q93.7Very high91.8Very high112 Ų11256.1 Ų56.152%0.52330%0.297SS..Hα-helixtrans-58.6-47.4178-74.6175.7-10.700111.6L158 T160 V164 L165 D166L158-Q162 WeakPolarHBondContact O-CG 3.48Å; L158-Q162 PolarHBondContact O-N 3.45Å; T160-Q162 PolarHBondContact O-N 3.42Å; Q162-V164 VanDerWaalsContact C-N 3.3Å; Q162-V164 PolarHBondContact O-N 3.17Å; Q162-L165 PolarHBondContact O-N 3.27Å; Q162-L165 VanDerWaalsContact O-N 3.13Å; Q162-D166 VanDerWaalsContact O-CG 3.3Å; Q162-D166 PolarHBondContact O-N 2.85Å
163A93.9Very high91.8Very high19 Ų1955.7 Ų55.716%0.15730%0.295CS..Hα-helixtrans-63.2-35.2178.900000113.5K133 S159 T160 L161 S167K133-A163 HydrophobicContact CB-CB 4.32Å; K133-A163 HydrophobicContact CD-CB 3.77Å; K133-A163 HydrophobicContact CG-CB 4.19Å; S159-A163 PolarHBondContact O-N 3.47Å; T160-A163 PolarHBondContact O-N 2.92Å; L161-A163 PolarHBondContact O-N 2.82Å; A163-S167 WeakPolarHBondContact O-CB 3.35Å; A163-S167 PolarHBondContact O-N 2.8Å; A163-S167 VanDerWaalsContact O-N 3.11Å; A163-S167 PolarHBondContact O-OG 3.31Å
164V95.3Very high91.9Very high1 Ų161.8 Ų61.81%0.00632%0.324CS..Hα-helixtrans-67.9-41.1174173.40000111.1L136 L137 F148 Y150 T160 L161 Q162 A168 V175L136-V164 HydrophobicContact CD2-CG2 4.1Å; L137-V164 HydrophobicContact CD2-CG2 4.18Å; F148-V164 HydrophobicContact CE2-CG1 4.11Å; F148-V164 HydrophobicContact CZ-CG1 4.17Å; Y150-V164 HydrophobicContact CD2-CG1 4.38Å; Y150-V164 HydrophobicContact CE2-CG2 3.98Å; T160-V164 WeakPolarHBondContact O-CG2 3.35Å; T160-V164 PolarHBondContact O-N 2.88Å; T160-V164 VanDerWaalsContact O-N 3.1Å; L161-V164 PolarHBondContact O-N 3.19Å; Q162-V164 VanDerWaalsContact C-N 3.3Å; Q162-V164 PolarHBondContact O-N 3.17Å; V164-A168 WeakPolarHBondContact O-CB 3.42Å; V164-A168 PolarHBondContact O-N 2.99Å; V164-V175 HydrophobicContact CG1-CG2 4.42Å
165L95.1Very high92.2Very high79 Ų7961.5 Ų61.541%0.41432%0.32SS..Hα-helixtrans-68.2-40.9178.7-69.6174.9000112.6L161 Q162 A168 A169L161-L165 HydrophobicContact CD1-CD1 4.15Å; L161-L165 HydrophobicContact CD1-CG 4.18Å; L161-L165 HydrophobicContact CG-CD1 4.05Å; L161-L165 HydrophobicContact CG-CG 4.47Å; L161-L165 WeakPolarHBondContact O-CG 3.42Å; L161-L165 PolarHBondContact O-N 2.84Å; Q162-L165 PolarHBondContact O-N 3.27Å; Q162-L165 VanDerWaalsContact O-N 3.13Å; L165-A168 WeakPolarHBondContact O-CB 3.39Å; L165-A168 PolarHBondContact O-N 2.8Å; L165-A169 PolarHBondContact O-N 2.93Å
166D94.8Very high92.7Very high117 Ų11760.2 Ų60.263%0.62631%0.314SS*.Hα-helixtrans-62.3-47.2175.9-67.3-21.3000110.5Q162 A168 A169 E170Q162-D166 VanDerWaalsContact O-CG 3.3Å; Q162-D166 PolarHBondContact O-N 2.85Å; D166-A168 VanDerWaalsContact C-N 3.3Å; D166-A168 PolarHBondContact O-N 3.43Å; D166-A169 PolarHBondContact O-N 3.19Å; D166-E170 PolarHBondContact O-N 2.91Å
167S94.6Very high93.3Very high22 Ų2261.1 Ų61.115%0.15433%0.327CS..Hα-helixtrans-65.6-33.9176.1-560000112.1L137 A163 A169 E170 K171L137-S167 WeakPolarHBondContact CD1-OG 3.3Å; L137-S167 WeakPolarHBondContact CD2-OG 3.47Å; A163-S167 WeakPolarHBondContact O-CB 3.35Å; A163-S167 PolarHBondContact O-N 2.8Å; A163-S167 VanDerWaalsContact O-N 3.11Å; A163-S167 PolarHBondContact O-OG 3.31Å; S167-A169 VanDerWaalsContact C-N 3.34Å; S167-A169 PolarHBondContact O-N 3.17Å; S167-E170 PolarHBondContact O-N 2.87Å; S167-K171 WeakPolarHBondContact O-CB 3.4Å; S167-K171 WeakPolarHBondContact O-CG 3.43Å; S167-K171 PolarHBondContact O-N 3.42Å
168A94.5Very high93.8Very high9 Ų963 Ų637%0.07434%0.336CS..Hα-helixtrans-65.1-37.3176.800000112.1V164 L165 D166 K172 W173 V175V164-A168 WeakPolarHBondContact O-CB 3.42Å; V164-A168 PolarHBondContact O-N 2.99Å; L165-A168 WeakPolarHBondContact O-CB 3.39Å; L165-A168 PolarHBondContact O-N 2.8Å; D166-A168 VanDerWaalsContact C-N 3.3Å; D166-A168 PolarHBondContact O-N 3.43Å; A168-K172 CarbonylContact O-C 3.54Å; A168-K172 VanDerWaalsContact O-CA 3.25Å; A168-K172 WeakPolarHBondContact O-CA 3.49Å; A168-K172 PolarHBondContact O-N 3.5Å; A168-W173 HydrophobicContact CB-CB 3.86Å; A168-W173 HydrophobicContact CB-CE3 4.07Å; A168-W173 PolarHBondContact O-N 2.7Å; A168-V175 HydrophobicContact CB-CG2 3.71Å
169A93.4Very high93.9Very high82 Ų8262 Ų6268%0.67833%0.331SS*.Hα-helixtrans-66-41.2174.900000111.7L165 D166 S167L165-A169 PolarHBondContact O-N 2.93Å; D166-A169 PolarHBondContact O-N 3.19Å; S167-A169 VanDerWaalsContact C-N 3.34Å; S167-A169 PolarHBondContact O-N 3.17Å
170E94.7Very high93.9Very high147 Ų14760.6 Ų60.669%0.68732%0.321SS*.Hα-helixtrans-67.5-47.4177.5-170.3-171.5151.100112.2D166 S167D166-E170 PolarHBondContact O-N 2.91Å; S167-E170 PolarHBondContact O-N 2.87Å
171K92.7Very high93.4Very high96 Ų9660.3 Ų60.342%0.41732%0.322SS..Hα-helixtrans-90.8-0.1-173.6-57-73.9173148.70113.9E141 S167 W173E141-K171 VanDerWaalsContact OE1-CE 3.31Å; E141-K171 WeakPolarHBondContact OE1-CE 3.36Å; E141-K171 IonicContact OE1-NZ 2.8Å; E141-K171 PolarHBondContact OE1-NZ 3.15Å; S167-K171 WeakPolarHBondContact O-CB 3.4Å; S167-K171 WeakPolarHBondContact O-CG 3.43Å; S167-K171 PolarHBondContact O-N 3.42Å; K171-W173 VanDerWaalsContact C-N 3.34Å; K171-W173 HydrophobicContact CB-CD2 3.94Å; K171-W173 HydrophobicContact CB-CG 4.15Å; K171-W173 HydrophobicContact CB-CZ2 3.94Å; K171-W173 HydrophobicContact CG-CH2 4.38Å; K171-W173 HydrophobicContact CG-CZ2 3.89Å
172K93.6Very high92.9Very high184 Ų18465.9 Ų65.980%0.835%0.352SS*.THydrogen-bonded Turntrans59.238.4-176.9-55.1178.6-179176.90113.6A168A168-K172 CarbonylContact O-C 3.54Å; A168-K172 VanDerWaalsContact O-CA 3.25Å; A168-K172 WeakPolarHBondContact O-CA 3.49Å; A168-K172 PolarHBondContact O-N 3.5Å
173W94.7Very high92.4Very high33 Ų3361.3 Ų61.313%0.12533%0.332CS..  trans-75.5144.5175.3-59.2-28.5000111.7L137 I140 E141 W145 D146 F148 A168 K171 V175L137-W173 HydrophobicContact CD2-CH2 4.24Å; L137-W173 HydrophobicContact CD2-CZ3 3.95Å; I140-W173 HydrophobicContact CB-CH2 4.25Å; I140-W173 HydrophobicContact CG2-CD2 4.45Å; I140-W173 HydrophobicContact CG2-CE3 4.4Å; I140-W173 HydrophobicContact CG2-CH2 3.71Å; I140-W173 HydrophobicContact CG2-CZ2 3.74Å; I140-W173 HydrophobicContact CG2-CZ3 4.05Å; E141-W173 HydrophobicContact CG-CH2 4.41Å; E141-W173 HydrophobicContact CG-CZ2 4.09Å; W145-W173 PolarHBondContact O-NE1 3.08Å; D146-W173 CarbonylContact O-C 3.59Å; D146-W173 VanDerWaalsContact O-CA 3.32Å; D146-W173 WeakPolarHBondContact O-CA 3.31Å; F148-W173 HydrophobicContact CE1-CB 4.24Å; F148-W173 HydrophobicContact CE1-CD2 4.26Å; F148-W173 HydrophobicContact CE1-CE3 4.27Å; F148-W173 HydrophobicContact CE1-CG 4.29Å; F148-W173 HydrophobicContact CZ-CE3 4.1Å; A168-W173 HydrophobicContact CB-CB 3.86Å; A168-W173 HydrophobicContact CB-CE3 4.07Å; A168-W173 PolarHBondContact O-N 2.7Å; K171-W173 VanDerWaalsContact C-N 3.34Å; K171-W173 HydrophobicContact CB-CD2 3.94Å; K171-W173 HydrophobicContact CB-CG 4.15Å; K171-W173 HydrophobicContact CB-CZ2 3.94Å; K171-W173 HydrophobicContact CG-CH2 4.38Å; K171-W173 HydrophobicContact CG-CZ2 3.89Å; W173-V175 HydrophobicContact CB-CG2 4.11Å
174Q92.8Very high91.8Very high130 Ų13063.8 Ų63.861%0.60734%0.342SS*.EExtended strand (participates in β ladder)trans-97.696.6171.9-67.5-175.54.300109.7D146 K147 F148D146-Q174 PolarHBondContact O-N 3.06Å; K147-Q174 WeakPolarHBondContact CA-O 3.35Å; K147-Q174 HydrophobicContact CB-CB 4.17Å; K147-Q174 HydrophobicContact CG-CB 4.03Å; F148-Q174 PolarHBondContact N-O 3.39Å; F148-Q174 VanDerWaalsContact N-O 3.15Å
175V95.3Very high91.2Very high32 Ų3269.4 Ų69.419%0.19437%0.372CS..EExtended strand (participates in β ladder)trans-102.1122.7-177.7-1730000110.3F148 V164 A168 W173F148-V175 HydrophobicContact CD2-CG1 4.36Å; F148-V175 HydrophobicContact CD2-CG2 4.49Å; F148-V175 HydrophobicContact CE1-CG2 4.18Å; F148-V175 HydrophobicContact CE2-CB 4.41Å; F148-V175 HydrophobicContact CE2-CG1 3.92Å; F148-V175 HydrophobicContact CE2-CG2 3.75Å; F148-V175 HydrophobicContact CZ-CG2 3.57Å; F148-V175 WeakPolarHBondContact O-CA 3.33Å; V164-V175 HydrophobicContact CG1-CG2 4.42Å; A168-V175 HydrophobicContact CB-CG2 3.71Å; W173-V175 HydrophobicContact CB-CG2 4.11Å
176T94.4Very high90.7Very high33 Ų3373 Ų7320%0.20239%0.392CS..EExtended strand (participates in β ladder)trans-98.897.2168.9-570000108.7F148 A149 Y150 I178 K202F148-T176 PolarHBondContact O-N 3.38Å; A149-T176 CarbonylContact C-O 3.56Å; A149-T176 WeakPolarHBondContact CA-O 3.41Å; Y150-T176 PolarHBondContact N-O 3.08Å; T176-I178 HydrophobicContact CG2-CD1 4.13Å; T176-I178 HydrophobicContact CG2-CG1 4.17Å; T176-K202 PolarHBondContact OG1-NZ 3.41Å
177A94.7Very high90.3Very high44 Ų4473.2 Ų73.236%0.36439%0.387SS..EExtended strand (participates in β ladder)trans-87.5128.9-179.600000111.5Y150 Y152 L161Y150-A177 CarbonylContact O-C 3.58Å; Y150-A177 WeakPolarHBondContact O-CA 3.28Å; Y152-A177 HydrophobicContact CE1-CB 4.2Å; L161-A177 HydrophobicContact CD1-CB 3.93Å
178I93.5Very high89.9Confident43 Ų4374.3 Ų74.322%0.22139%0.389CS..EExtended strand (participates in β ladder)trans-135.5126.7-178.7-50175.3000110.1Y150 L151 Y152 T176 L195 L199Y150-I178 PolarHBondContact O-N 2.87Å; L151-I178 WeakPolarHBondContact CA-O 3.42Å; L151-I178 HydrophobicContact CD2-CB 3.83Å; L151-I178 HydrophobicContact CD2-CD1 4.26Å; L151-I178 HydrophobicContact CD2-CG1 4.38Å; Y152-I178 VanDerWaalsContact CD1-O 3.28Å; Y152-I178 WeakPolarHBondContact CD1-O 3.47Å; Y152-I178 VanDerWaalsContact CE1-C 3.47Å; Y152-I178 PolarHBondContact N-O 3.3Å; Y152-I178 VanDerWaalsContact N-O 3.09Å; T176-I178 HydrophobicContact CG2-CD1 4.13Å; T176-I178 HydrophobicContact CG2-CG1 4.17Å; I178-L195 HydrophobicContact CB-CD1 4.15Å; I178-L195 HydrophobicContact CD1-CD1 3.42Å; I178-L195 VanDerWaalsContact CD1-CD1 3.42Å; I178-L195 HydrophobicContact CG1-CD1 4.34Å; I178-L195 HydrophobicContact CG2-CD1 3.55Å; I178-L199 HydrophobicContact CD1-CD2 3.88Å; I178-L199 HydrophobicContact CD1-CG 4.49Å
179N93.1Very high89.4Confident52 Ų5277.1 Ų77.128%0.27840%0.403SS..EExtended strand (participates in β ladder)trans-78.5121.8176-174.2-3.9000110.2Y152 G181Y152-N179 HydrophobicContact CE1-CB 4.15Å; Y152-N179 HydrophobicContact CE2-CB 3.99Å; Y152-N179 WeakPolarHBondContact O-CA 3.5Å; Y152-N179 PolarHBondContact O-OD1 3.41Å; N179-G181 PolarHBondContact OD1-N 3.04Å
180V90.8Very high89.1Confident1 Ų179.7 Ų79.71%0.00640%0.401CS..  trans-107.3-5.3178.3-64.20000113.4L151 Y152 I183 L195 C211 I219L151-V180 HydrophobicContact CB-CG1 4.12Å; L151-V180 HydrophobicContact CD2-CG1 4.2Å; Y152-V180 WeakPolarHBondContact O-CG2 3.48Å; Y152-V180 PolarHBondContact O-N 3.41Å; V180-I183 HydrophobicContact CB-CD1 4.17Å; V180-I183 HydrophobicContact CG1-CD1 4.46Å; V180-I183 WeakPolarHBondContact O-CG1 3.2Å; V180-L195 HydrophobicContact CG1-CD2 3.97Å; V180-C211 VanDerWaalsContact CG2-SG 3.5Å; V180-I219 HydrophobicContact CG2-CD1 4.11Å
181G82.2Confident88.8Confident16 Ų1676.6 Ų76.617%0.16539%0.387CS..THydrogen-bonded Turntrans-65.7-38.9-178.200000113.5D153 N179 I183D153-G181 VanDerWaalsContact OD1-CA 3.26Å; D153-G181 WeakPolarHBondContact OD1-CA 3.3Å; N179-G181 PolarHBondContact OD1-N 3.04Å; G181-I183 PolarHBondContact O-N 3.32Å; G181-I183 VanDerWaalsContact O-N 3.13Å
182N82.8Confident88.7Confident131 Ų13172 Ų7270%0.70137%0.368SS*.THydrogen-bonded Turntrans-77.25.2-173.6-68.4-14.9000115.2N184N182-N184 PolarHBondContact O-N 3.06Å
183I82.6Confident88.5Confident17 Ų1768.2 Ų68.29%0.08735%0.348CS..  trans-74.7120.9-178.3-61.6175.1000109.1V180 G181 K188 M191 Y192V180-I183 HydrophobicContact CB-CD1 4.17Å; V180-I183 HydrophobicContact CG1-CD1 4.46Å; V180-I183 WeakPolarHBondContact O-CG1 3.2Å; G181-I183 PolarHBondContact O-N 3.32Å; G181-I183 VanDerWaalsContact O-N 3.13Å; I183-K188 HydrophobicContact CG2-CB 4.24Å; I183-K188 HydrophobicContact CG2-CG 4.13Å; I183-M191 HydrophobicContact CB-SD 4.34Å; I183-M191 HydrophobicContact CD1-CB 4.5Å; I183-M191 HydrophobicContact CG1-CE 3.87Å; I183-M191 HydrophobicContact CG1-SD 4.28Å; I183-M191 HydrophobicContact CG2-CB 4.05Å; I183-M191 HydrophobicContact CG2-CG 4.49Å; I183-M191 HydrophobicContact CG2-SD 3.84Å; I183-Y192 HydrophobicContact CD1-CD1 4.02Å; I183-Y192 HydrophobicContact CD1-CE1 3.56Å
184N82.9Confident88.3Confident70 Ų7069.3 Ų69.337%0.37436%0.361SS..  trans-71.4142.7175.163.5-20.1000110.8N182 D186 K187 K188N182-N184 PolarHBondContact O-N 3.06Å; N184-D186 PolarHBondContact O-N 3.36Å; N184-K187 PolarHBondContact O-N 2.96Å; N184-K187 WeakPolarHBondContact OD1-CB 3.35Å; N184-K188 PolarHBondContact O-N 2.92Å
185N82.5Confident88.3Confident119 Ų11963.8 Ų63.864%0.63634%0.335SS*.G310 helixtrans-60.8-32.6-177.7-71.7-19.2000112.5K187 K188N185-K187 PolarHBondContact O-N 3.34Å; N185-K188 WeakPolarHBondContact O-CB 3.42Å; N185-K188 PolarHBondContact O-N 3.38Å
186D84.2Confident88.1Confident155 Ų15562.5 Ų62.583%0.82933%0.327SS*.G310 helixtrans-68.4-31.7-176.9-54.5-32.4000113.7N184N184-D186 PolarHBondContact O-N 3.36Å
187K85.7Confident87.9Confident122 Ų12267.1 Ų67.153%0.5335%0.347SS..G310 helixtrans-113.419.6179-55.5-173.7174-173.20113N184 N185 D189 E190 M191N184-K187 PolarHBondContact O-N 2.96Å; N184-K187 WeakPolarHBondContact OD1-CB 3.35Å; N185-K187 PolarHBondContact O-N 3.34Å; K187-D189 PolarHBondContact O-N 3.49Å; K187-E190 PolarHBondContact O-N 2.92Å; K187-M191 HydrophobicContact CB-CG 4.42Å; K187-M191 WeakPolarHBondContact O-CG 3.27Å; K187-M191 PolarHBondContact O-N 3.4Å
188K86Confident87.7Confident45 Ų4569.4 Ų69.420%0.19635%0.352CS..Hα-helixtrans-56.5-45.6-174.4-169.3171.881.6178.20112.8I183 N184 N185 Y192 D218I183-K188 HydrophobicContact CG2-CB 4.24Å; I183-K188 HydrophobicContact CG2-CG 4.13Å; N184-K188 PolarHBondContact O-N 2.92Å; N185-K188 WeakPolarHBondContact O-CB 3.42Å; N185-K188 PolarHBondContact O-N 3.38Å; K188-Y192 HydrophobicContact CD-CE2 3.88Å; K188-Y192 HydrophobicContact CG-CD2 3.62Å; K188-Y192 HydrophobicContact CG-CE2 3.29Å; K188-Y192 WeakPolarHBondContact O-CD2 3.28Å; K188-Y192 PolarHBondContact O-N 3.23Å; K188-D218 IonicContact NZ-OD1 3.83Å; K188-D218 PolarHBondContact NZ-OD1 3.24Å; K188-D218 IonicContact NZ-OD2 2.7Å; K188-D218 PolarHBondContact NZ-OD2 2.67Å
189D84.7Confident87.7Confident68 Ų6867.7 Ų67.736%0.36434%0.344SS..Hα-helixtrans-63.7-47.4-178.4-167.370.1000112.3K187 Y192 R193 Q222K187-D189 PolarHBondContact O-N 3.49Å; D189-Y192 PolarHBondContact O-N 3.26Å; D189-R193 VanDerWaalsContact O-CG 3.3Å; D189-R193 WeakPolarHBondContact O-CG 3.36Å; D189-R193 PolarHBondContact O-N 2.81Å; D189-R193 IonicContact OD1-NE 3.23Å; D189-R193 IonicContact OD1-NH2 2.66Å; D189-R193 IonicContact OD2-CZ 2.78Å; D189-R193 IonicContact OD2-NE 2.75Å; D189-R193 PolarHBondContact OD2-NE 3.22Å; D189-R193 IonicContact OD2-NH2 2.66Å; D189-R193 PolarHBondContact OD2-NH2 3.33Å; D189-Q222 PolarHBondContact OD1-NE2 3.33Å; D189-Q222 PolarHBondContact OD1-OE1 3.46Å; D189-Q222 VanDerWaalsContact OD1-OE1 3.06Å
190E87.8Confident87.4Confident136 Ų13667.2 Ų67.264%0.63634%0.34SS*.Hα-helixtrans-66.1-43.4-179.5-172.1-179.6-172.100111.6K187 Y192 R193 S194K187-E190 PolarHBondContact O-N 2.92Å; E190-Y192 PolarHBondContact O-N 2.95Å; E190-R193 PolarHBondContact O-N 2.86Å; E190-S194 WeakPolarHBondContact O-CB 3.46Å; E190-S194 PolarHBondContact O-N 2.92Å
191M88.7Confident87.2Confident81 Ų8172.9 Ų72.940%0.39937%0.37SS..Hα-helixtrans-64.6-40.8179.3-71.5-171.272.400112.1I183 K187 S194 L195I183-M191 HydrophobicContact CB-SD 4.34Å; I183-M191 HydrophobicContact CD1-CB 4.5Å; I183-M191 HydrophobicContact CG1-CE 3.87Å; I183-M191 HydrophobicContact CG1-SD 4.28Å; I183-M191 HydrophobicContact CG2-CB 4.05Å; I183-M191 HydrophobicContact CG2-CG 4.49Å; I183-M191 HydrophobicContact CG2-SD 3.84Å; K187-M191 HydrophobicContact CB-CG 4.42Å; K187-M191 WeakPolarHBondContact O-CG 3.27Å; K187-M191 PolarHBondContact O-N 3.4Å; M191-S194 PolarHBondContact O-N 3.4Å; M191-L195 VanDerWaalsContact O-CB 3.3Å; M191-L195 WeakPolarHBondContact O-CB 3.41Å; M191-L195 PolarHBondContact O-N 3.35Å
192Y89.7Confident87.3Confident1 Ų177.4 Ų77.40%0.00439%0.385CS..Hα-helixtrans-68-39.1175.3-76-51.5000112.4I183 K188 D189 E190 S194 L195 F196 I219 Q222I183-Y192 HydrophobicContact CD1-CD1 4.02Å; I183-Y192 HydrophobicContact CD1-CE1 3.56Å; K188-Y192 HydrophobicContact CD-CE2 3.88Å; K188-Y192 HydrophobicContact CG-CD2 3.62Å; K188-Y192 HydrophobicContact CG-CE2 3.29Å; K188-Y192 WeakPolarHBondContact O-CD2 3.28Å; K188-Y192 PolarHBondContact O-N 3.23Å; D189-Y192 PolarHBondContact O-N 3.26Å; E190-Y192 PolarHBondContact O-N 2.95Å; Y192-S194 VanDerWaalsContact C-N 3.34Å; Y192-S194 PolarHBondContact O-N 3.49Å; Y192-L195 HydrophobicContact CD1-CD2 4.01Å; Y192-L195 HydrophobicContact CE1-CD2 4.48Å; Y192-L195 WeakPolarHBondContact O-CB 3.38Å; Y192-L195 PolarHBondContact O-N 3.44Å; Y192-F196 VanDerWaalsContact O-CD2 3.24Å; Y192-F196 WeakPolarHBondContact O-CD2 3.26Å; Y192-F196 PolarHBondContact O-N 3.49Å; Y192-I219 HydrophobicContact CE1-CD1 4.36Å; Y192-I219 HydrophobicContact CE1-CG1 3.64Å; Y192-I219 WeakPolarHBondContact OH-CG1 3.45Å; Y192-Q222 HydrophobicContact CD2-CB 4.3Å; Y192-Q222 HydrophobicContact CD2-CG 3.64Å; Y192-Q222 HydrophobicContact CE2-CG 4.35Å; Y192-Q222 HydrophobicContact CG-CB 4.34Å; Y192-Q222 HydrophobicContact CG-CG 4.13Å
193R89.4Confident87.4Confident103 Ų10374 Ų7439%0.38936%0.364SS..Hα-helixtrans-60.1-45.4173.3-72.5174-170.6-90.9-5.1111.5D189 E190 F196 Q197 I226D189-R193 VanDerWaalsContact O-CG 3.3Å; D189-R193 WeakPolarHBondContact O-CG 3.36Å; D189-R193 PolarHBondContact O-N 2.81Å; D189-R193 IonicContact OD1-NE 3.23Å; D189-R193 IonicContact OD1-NH2 2.66Å; D189-R193 IonicContact OD2-CZ 2.78Å; D189-R193 IonicContact OD2-NE 2.75Å; D189-R193 PolarHBondContact OD2-NE 3.22Å; D189-R193 IonicContact OD2-NH2 2.66Å; D189-R193 PolarHBondContact OD2-NH2 3.33Å; E190-R193 PolarHBondContact O-N 2.86Å; R193-F196 PolarHBondContact O-N 2.89Å; R193-Q197 VanDerWaalsContact O-CG 3.28Å; R193-Q197 WeakPolarHBondContact O-CG 3.36Å; R193-Q197 PolarHBondContact O-N 2.95Å; R193-I226 HydrophobicContact CG-CG2 4.24Å
194S91.2Very high87.8Confident56 Ų5673.6 Ų73.639%0.39236%0.361SS..Hα-helixtrans-61-48.4176.5-172.40000111.5E190 M191 Y192 F196 Q197 D198E190-S194 WeakPolarHBondContact O-CB 3.46Å; E190-S194 PolarHBondContact O-N 2.92Å; M191-S194 PolarHBondContact O-N 3.4Å; Y192-S194 VanDerWaalsContact C-N 3.34Å; Y192-S194 PolarHBondContact O-N 3.49Å; S194-F196 VanDerWaalsContact C-N 3.32Å; S194-F196 PolarHBondContact O-N 3.25Å; S194-Q197 WeakPolarHBondContact O-CA 3.26Å; S194-Q197 WeakPolarHBondContact O-CB 3.28Å; S194-Q197 PolarHBondContact O-N 3.32Å; S194-D198 PolarHBondContact O-N 2.93Å
195L92.2Very high88.2Confident15 Ų1571.5 Ų71.58%0.07935%0.348CS..Hα-helixtrans-52.4-49.1175.8175.367.4000112L151 I178 V180 M191 Y192 Q197 D198 L199L151-L195 HydrophobicContact CD1-CD2 4.18Å; L151-L195 HydrophobicContact CD2-CD1 4.32Å; L151-L195 HydrophobicContact CD2-CD2 4.15Å; I178-L195 HydrophobicContact CB-CD1 4.15Å; I178-L195 HydrophobicContact CD1-CD1 3.42Å; I178-L195 VanDerWaalsContact CD1-CD1 3.42Å; I178-L195 HydrophobicContact CG1-CD1 4.34Å; I178-L195 HydrophobicContact CG2-CD1 3.55Å; V180-L195 HydrophobicContact CG1-CD2 3.97Å; M191-L195 VanDerWaalsContact O-CB 3.3Å; M191-L195 WeakPolarHBondContact O-CB 3.41Å; M191-L195 PolarHBondContact O-N 3.35Å; Y192-L195 HydrophobicContact CD1-CD2 4.01Å; Y192-L195 HydrophobicContact CE1-CD2 4.48Å; Y192-L195 WeakPolarHBondContact O-CB 3.38Å; Y192-L195 PolarHBondContact O-N 3.44Å; L195-Q197 VanDerWaalsContact C-N 3.31Å; L195-Q197 PolarHBondContact O-N 3.39Å; L195-D198 WeakPolarHBondContact O-CB 3.45Å; L195-D198 PolarHBondContact O-N 3.11Å; L195-L199 WeakPolarHBondContact O-CG 3.42Å; L195-L199 PolarHBondContact O-N 2.91Å
196F91.1Very high88.8Confident5 Ų569.5 Ų69.52%0.02233%0.332CS..Hα-helixtrans-74.9-19.3-178.8-81.8-67.5000113.8Y192 R193 S194 L199 E200 I219 V223 I226 K228Y192-F196 VanDerWaalsContact O-CD2 3.24Å; Y192-F196 WeakPolarHBondContact O-CD2 3.26Å; Y192-F196 PolarHBondContact O-N 3.49Å; R193-F196 PolarHBondContact O-N 2.89Å; S194-F196 VanDerWaalsContact C-N 3.32Å; S194-F196 PolarHBondContact O-N 3.25Å; F196-L199 HydrophobicContact CD1-CD1 3.82Å; F196-L199 HydrophobicContact CE1-CD1 3.98Å; F196-E200 WeakPolarHBondContact O-CB 3.26Å; F196-E200 PolarHBondContact O-N 2.94Å; F196-E200 VanDerWaalsContact O-N 3.17Å; F196-I219 HydrophobicContact CZ-CG2 4.29Å; F196-V223 HydrophobicContact CE1-CG2 3.97Å; F196-V223 HydrophobicContact CE2-CG2 3.75Å; F196-V223 HydrophobicContact CZ-CG2 3.27Å; F196-I226 HydrophobicContact CB-CD1 3.46Å; F196-I226 VanDerWaalsContact CB-CD1 3.46Å; F196-I226 HydrophobicContact CD1-CD1 3.88Å; F196-I226 HydrophobicContact CD2-CD1 3.32Å; F196-I226 HydrophobicContact CE1-CD1 4.47Å; F196-I226 HydrophobicContact CE2-CD1 4.01Å; F196-I226 HydrophobicContact CG-CD1 3.26Å; F196-K228 HydrophobicContact CB-CD 4.16Å; F196-K228 HydrophobicContact CD1-CD 3.63Å; F196-K228 HydrophobicContact CE1-CD 4.38Å; F196-K228 HydrophobicContact CG-CD 4.13Å; F196-K228 WeakPolarHBondContact O-CE 3.33Å
197Q90.2Very high89.4Confident130 Ų13062.3 Ų62.361%0.60729%0.293SS*.Hα-helixtrans-71.4-42.3167.8-73.8171.57.800110.8R193 S194 L195 L199 E200 L201R193-Q197 VanDerWaalsContact O-CG 3.28Å; R193-Q197 WeakPolarHBondContact O-CG 3.36Å; R193-Q197 PolarHBondContact O-N 2.95Å; S194-Q197 WeakPolarHBondContact O-CA 3.26Å; S194-Q197 WeakPolarHBondContact O-CB 3.28Å; S194-Q197 PolarHBondContact O-N 3.32Å; L195-Q197 VanDerWaalsContact C-N 3.31Å; L195-Q197 PolarHBondContact O-N 3.39Å; Q197-L199 VanDerWaalsContact C-N 3.34Å; Q197-L199 PolarHBondContact O-N 3.13Å; Q197-E200 CarbonylContact O-C 3.59Å; Q197-E200 WeakPolarHBondContact O-CA 3.45Å; Q197-E200 WeakPolarHBondContact O-CB 3.05Å; Q197-E200 PolarHBondContact O-N 3.32Å; Q197-L201 PolarHBondContact O-N 3.01Å
198D91.2Very high89.9Confident91 Ų9156.5 Ų56.549%0.48727%0.268SS..Hα-helixtrans-61.6-42.1174.9-69.8-21.2000111.7S194 L195 E200 L201S194-D198 PolarHBondContact O-N 2.93Å; L195-D198 WeakPolarHBondContact O-CB 3.45Å; L195-D198 PolarHBondContact O-N 3.11Å; D198-E200 PolarHBondContact O-N 2.85Å; D198-L201 WeakPolarHBondContact O-CB 3.49Å; D198-L201 PolarHBondContact O-N 3.31Å
199L91.7Very high90.4Very high8 Ų854.4 Ų54.44%0.04226%0.259CS..Hα-helixtrans-63.4-29.7172.7-66-179.2000112.2A149 I178 L195 F196 Q197 K202 K203 E204A149-L199 HydrophobicContact CB-CD1 4.46Å; A149-L199 HydrophobicContact CB-CD2 3.68Å; I178-L199 HydrophobicContact CD1-CD2 3.88Å; I178-L199 HydrophobicContact CD1-CG 4.49Å; L195-L199 WeakPolarHBondContact O-CG 3.42Å; L195-L199 PolarHBondContact O-N 2.91Å; F196-L199 HydrophobicContact CD1-CD1 3.82Å; F196-L199 HydrophobicContact CE1-CD1 3.98Å; Q197-L199 VanDerWaalsContact C-N 3.34Å; Q197-L199 PolarHBondContact O-N 3.13Å; L199-K202 PolarHBondContact O-N 3.15Å; L199-K203 PolarHBondContact O-N 3.04Å; L199-E204 HydrophobicContact CB-CB 4.24Å; L199-E204 HydrophobicContact CB-CG 4.37Å; L199-E204 HydrophobicContact CD2-CG 4.06Å; L199-E204 PolarHBondContact O-N 3.47Å
200E87.9Confident90.9Very high41 Ų4151.3 Ų51.319%0.19224%0.242CC..Hα-helixtrans-76.2-24.4177.1-163.262.3-153.900112.8F196 Q197 D198 K202 K203 R205 K228 Y233F196-E200 WeakPolarHBondContact O-CB 3.26Å; F196-E200 PolarHBondContact O-N 2.94Å; F196-E200 VanDerWaalsContact O-N 3.17Å; Q197-E200 CarbonylContact O-C 3.59Å; Q197-E200 WeakPolarHBondContact O-CA 3.45Å; Q197-E200 WeakPolarHBondContact O-CB 3.05Å; Q197-E200 PolarHBondContact O-N 3.32Å; D198-E200 PolarHBondContact O-N 2.85Å; E200-K202 PolarHBondContact O-N 3.21Å; E200-K203 HydrophobicContact CG-CD 4.29Å; E200-K203 WeakPolarHBondContact O-CD 3.39Å; E200-K203 PolarHBondContact O-N 3.42Å; E200-K203 WeakPolarHBondContact OE1-CD 3.48Å; E200-K203 WeakPolarHBondContact OE1-CE 3.5Å; E200-K203 IonicContact OE1-NZ 3.71Å; E200-K203 PolarHBondContact OE1-NZ 3.37Å; E200-R205 IonicContact OE1-NH1 3.3Å; E200-R205 IonicContact OE1-NH2 3.42Å; E200-R205 PolarHBondContact OE1-NH2 3.08Å; E200-R205 IonicContact OE2-NH1 3.76Å; E200-R205 PolarHBondContact OE2-NH1 2.98Å; E200-K228 IonicContact OE2-NZ 3.83Å; E200-K228 PolarHBondContact OE2-NZ 2.95Å; E200-Y233 PolarHBondContact OE2-OH 2.94Å
201L86.8Confident91Very high121 Ų12144.9 Ų44.963%0.63421%0.212SC*.Hα-helixtrans-57.1-36.8171.5-65174000111.3Q197 D198 I480Q197-L201 PolarHBondContact O-N 3.01Å; D198-L201 WeakPolarHBondContact O-CB 3.49Å; D198-L201 PolarHBondContact O-N 3.31Å; L201-I480 VanDerWaalsContact O-CD1 3.29Å; L201-I480 WeakPolarHBondContact O-CD1 3.02Å
202K83.6Confident90.9Very high111 Ų11145.4 Ų45.448%0.48321%0.214SC..THydrogen-bonded Turntrans-95.32.8176-69.6-174.2-174.71750113.8K147 T176 L199 E200 E204K147-K202 PolarHBondContact NZ-O 3.26Å; T176-K202 PolarHBondContact OG1-NZ 3.41Å; L199-K202 PolarHBondContact O-N 3.15Å; E200-K202 PolarHBondContact O-N 3.21Å; K202-E204 VanDerWaalsContact C-N 3.28Å; K202-E204 HydrophobicContact CB-CG 4.15Å; K202-E204 PolarHBondContact O-N 2.96Å
203K85.1Confident90.9Very high60 Ų6048.3 Ų48.326%0.26123%0.225SC..THydrogen-bonded Turntrans48.847.4-171.9-61.4-62.7-174.8-163.30112.1L199 E200 R205 I480 Y490L199-K203 PolarHBondContact O-N 3.04Å; E200-K203 HydrophobicContact CG-CD 4.29Å; E200-K203 WeakPolarHBondContact O-CD 3.39Å; E200-K203 PolarHBondContact O-N 3.42Å; E200-K203 WeakPolarHBondContact OE1-CD 3.48Å; E200-K203 WeakPolarHBondContact OE1-CE 3.5Å; E200-K203 IonicContact OE1-NZ 3.71Å; E200-K203 PolarHBondContact OE1-NZ 3.37Å; K203-R205 PolarHBondContact O-N 2.95Å; K203-I480 HydrophobicContact CG-CD1 4.42Å; K203-I480 HydrophobicContact CG-CG2 4.11Å; K203-Y490 HydrophobicContact CB-CD1 3.97Å; K203-Y490 HydrophobicContact CB-CD2 4.5Å; K203-Y490 HydrophobicContact CB-CE1 3.67Å; K203-Y490 HydrophobicContact CB-CE2 4.23Å; K203-Y490 HydrophobicContact CB-CG 4.4Å; K203-Y490 HydrophobicContact CG-CE1 4.36Å; K203-Y490 HydrophobicContact CG-CE2 4.1Å
204E90.1Very high90.8Very high8 Ų847.7 Ų47.74%0.03723%0.229CC..  trans-62.2136.8178.8-65-60.9163.900111.2K147 L199 K202 Y233K147-E204 VanDerWaalsContact CE-CD 3.5Å; K147-E204 WeakPolarHBondContact CE-OE1 3.48Å; K147-E204 WeakPolarHBondContact CE-OE2 3.37Å; K147-E204 IonicContact NZ-OE1 2.9Å; L199-E204 HydrophobicContact CB-CB 4.24Å; L199-E204 HydrophobicContact CB-CG 4.37Å; L199-E204 HydrophobicContact CD2-CG 4.06Å; L199-E204 PolarHBondContact O-N 3.47Å; K202-E204 VanDerWaalsContact C-N 3.28Å; K202-E204 HydrophobicContact CB-CG 4.15Å; K202-E204 PolarHBondContact O-N 2.96Å; E204-Y233 WeakPolarHBondContact O-CE1 3.48Å
205R91.6Very high90.7Very high25 Ų2546.7 Ų46.79%0.09422%0.218CC..  trans-123.6-13.8-179.2-64.9-60.3171.6-106.35.8113.3E200 K203 G232 Y233 H234E200-R205 IonicContact OE1-NH1 3.3Å; E200-R205 IonicContact OE1-NH2 3.42Å; E200-R205 PolarHBondContact OE1-NH2 3.08Å; E200-R205 IonicContact OE2-NH1 3.76Å; E200-R205 PolarHBondContact OE2-NH1 2.98Å; K203-R205 PolarHBondContact O-N 2.95Å; R205-G232 WeakPolarHBondContact CB-O 3.31Å; R205-Y233 PolarHBondContact NH1-OH 3.33Å; R205-Y233 VanDerWaalsContact NH1-OH 3.1Å; R205-Y233 CarbonylContact O-C 3.58Å; R205-Y233 WeakPolarHBondContact O-CA 3.33Å; R205-H234 PolarHBondContact O-N 3.29Å
206R95.7Very high90.7Very high78 Ų7846.3 Ų46.329%0.29422%0.216SC..EExtended strand (participates in β ladder)trans-121.6119.2-174.9-67.2164.9-177.8165.1-2.5108.2W145 D146 K147 F148 A149 H234W145-R206 HydrophobicContact CD2-CB 4.05Å; W145-R206 HydrophobicContact CD2-CG 4Å; W145-R206 HydrophobicContact CE3-CB 3.89Å; W145-R206 HydrophobicContact CE3-CG 4.37Å; W145-R206 HydrophobicContact CH2-CB 3.75Å; W145-R206 HydrophobicContact CH2-CG 4.18Å; W145-R206 HydrophobicContact CZ2-CB 3.93Å; W145-R206 HydrophobicContact CZ2-CG 3.82Å; W145-R206 HydrophobicContact CZ3-CB 3.73Å; W145-R206 HydrophobicContact CZ3-CG 4.44Å; D146-R206 IonicContact OD1-CZ 3.87Å; D146-R206 IonicContact OD1-NH1 3.57Å; D146-R206 PolarHBondContact OD1-NH1 3.48Å; K147-R206 VanDerWaalsContact O-CD 3.3Å; K147-R206 WeakPolarHBondContact O-CD 3.43Å; K147-R206 PolarHBondContact O-NH1 2.72Å; F148-R206 WeakPolarHBondContact CA-O 3.01Å; F148-R206 HydrophobicContact CB-CB 3.73Å; A149-R206 PolarHBondContact N-O 2.91Å; R206-H234 WeakPolarHBondContact CA-O 3.37Å
207V96.6Very high90.8Very high3 Ų347.6 Ų47.62%0.01822%0.223CC..EExtended strand (participates in β ladder)trans-132.1126.9-174.5-1750000109.5A149 L151 L209 H234 Y235 I236A149-V207 HydrophobicContact CB-CG2 4.42Å; A149-V207 CarbonylContact O-C 3.52Å; A149-V207 WeakPolarHBondContact O-CA 3.48Å; L151-V207 HydrophobicContact CD1-CG1 3.9Å; L151-V207 HydrophobicContact CG-CG1 3.96Å; V207-L209 HydrophobicContact CG1-CD2 3.89Å; V207-H234 PolarHBondContact N-O 3.46Å; V207-Y235 HydrophobicContact CB-CD1 3.75Å; V207-Y235 HydrophobicContact CB-CE1 3.78Å; V207-Y235 HydrophobicContact CG1-CD1 4.24Å; V207-Y235 HydrophobicContact CG1-CE1 4.21Å; V207-Y235 HydrophobicContact CG2-CD1 4.44Å; V207-Y235 HydrophobicContact CG2-CE1 4.01Å; V207-Y235 CarbonylContact O-C 3.13Å; V207-Y235 VanDerWaalsContact O-CA 3.29Å; V207-Y235 WeakPolarHBondContact O-CA 3.49Å; V207-I236 PolarHBondContact O-N 3.04Å
208I97.2Very high90.8Very high0 Ų043.4 Ų43.40%021%0.205CC..EExtended strand (participates in β ladder)trans-100.1129.3172-53.8-173.9000107.9L136 I140 W145 F148 A149 Y150 L151 I236 A238L136-I208 HydrophobicContact CD1-CG2 4.29Å; I140-I208 HydrophobicContact CD1-CD1 3.66Å; I140-I208 HydrophobicContact CG1-CD1 4Å; W145-I208 HydrophobicContact CE3-CD1 4.49Å; W145-I208 HydrophobicContact CZ3-CD1 4.14Å; W145-I208 HydrophobicContact CZ3-CG1 3.73Å; F148-I208 HydrophobicContact CD2-CD1 3.66Å; F148-I208 HydrophobicContact CD2-CG1 4.06Å; F148-I208 HydrophobicContact CE2-CD1 3.62Å; F148-I208 HydrophobicContact CE2-CG1 4.48Å; F148-I208 HydrophobicContact CG-CD1 4.46Å; F148-I208 HydrophobicContact CZ-CD1 4.38Å; A149-I208 PolarHBondContact O-N 3.06Å; Y150-I208 HydrophobicContact CD2-CB 3.78Å; Y150-I208 HydrophobicContact CD2-CD1 4.14Å; Y150-I208 HydrophobicContact CD2-CG1 4.44Å; Y150-I208 HydrophobicContact CD2-CG2 3.82Å; Y150-I208 HydrophobicContact CE2-CB 4.21Å; Y150-I208 HydrophobicContact CE2-CG2 3.7Å; L151-I208 PolarHBondContact N-O 3.17Å; I208-I236 CarbonylContact C-O 3.54Å; I208-I236 WeakPolarHBondContact CA-O 3.13Å; I208-I236 HydrophobicContact CG1-CB 4.31Å; I208-I236 HydrophobicContact CG2-CG2 4.49Å; I208-A238 HydrophobicContact CG2-CB 4.2Å
209L95.5Very high90.8Very high2 Ų239 Ų391%0.0118%0.182CC..EExtended strand (participates in β ladder)trans-108.4101.8177.4-57.7-178.7000109.1L151 V207 V216 I219 Y235 I236 A238L151-L209 HydrophobicContact CB-CD2 3.99Å; L151-L209 HydrophobicContact CD1-CD2 3.7Å; L151-L209 HydrophobicContact CG-CD2 4.2Å; V207-L209 HydrophobicContact CG1-CD2 3.89Å; L209-V216 HydrophobicContact CD1-CG1 4.49Å; L209-I219 HydrophobicContact CD1-CG2 4.33Å; L209-I219 HydrophobicContact CD2-CD1 4.42Å; L209-I219 HydrophobicContact CD2-CG2 3.97Å; L209-Y235 HydrophobicContact CD1-CD1 4.43Å; L209-I236 PolarHBondContact N-O 3.09Å; L209-A238 PolarHBondContact O-N 3.29Å
210D94.8Very high90.8Very high2 Ų239.2 Ų39.21%0.01118%0.183CC..EExtended strand (participates in β ladder)trans-104.971174.5-174.112.6000110.6Y150 L151 Y152 D153 R156 T160 A238Y150-D210 HydrophobicContact CE1-CB 3.93Å; Y150-D210 WeakPolarHBondContact OH-CB 3.36Å; Y150-D210 PolarHBondContact OH-OD2 2.85Å; L151-D210 PolarHBondContact O-N 3Å; Y152-D210 WeakPolarHBondContact CA-O 3.45Å; D153-D210 PolarHBondContact N-O 3.17Å; D153-D210 VanDerWaalsContact N-O 3.09Å; R156-D210 IonicContact CZ-OD1 3.57Å; R156-D210 IonicContact NH1-OD1 2.68Å; R156-D210 PolarHBondContact NH1-OD1 2.87Å; T160-D210 WeakPolarHBondContact CB-OD2 3.49Å; T160-D210 PolarHBondContact OG1-OD2 2.7Å; D210-A238 HydrophobicContact CB-CB 4.06Å
211C91.2Very high91Very high1 Ų140 Ų401%0.00719%0.188CC..SBendtrans-133.2166.2-177.9-53.80000110.9D153 V180 K215 V216D153-C211 HydrophobicContact CB-CB 4.44Å; V180-C211 VanDerWaalsContact CG2-SG 3.5Å; C211-K215 HydrophobicContact CB-CB 3.71Å; C211-V216 HydrophobicContact CB-CG2 4.07Å
212E86.5Confident91.2Very high92 Ų9235.2 Ų35.243%0.4316%0.163SC..  trans-67160167.3-63.8-162.5155.600111.9R156 D214 K215 V216R156-E212 HydrophobicContact CG-CG 3.96Å; E212-D214 VanDerWaalsContact C-N 3.27Å; E212-D214 PolarHBondContact O-N 3.21Å; E212-K215 PolarHBondContact O-N 3.07Å; E212-K215 VanDerWaalsContact O-N 3.11Å; E212-V216 WeakPolarHBondContact O-CG2 3.26Å; E212-V216 PolarHBondContact O-N 3.24Å
213R89.3Confident91.6Very high63 Ų6330.2 Ų30.224%0.23814%0.141CC..Hα-helixtrans-52.4-42.8-175.1-177.1-169.761.674.415112.8V216 N217 D244R213-V216 PolarHBondContact O-N 2.86Å; R213-N217 PolarHBondContact O-N 3.26Å; R213-D244 WeakPolarHBondContact CD-O 3.18Å
214D87.9Confident91.9Very high89 Ų8929.5 Ų29.548%0.47614%0.14SC..Hα-helixtrans-66.2-42.2-178.2-66-53.4000111.9E212 N217 D218E212-D214 VanDerWaalsContact C-N 3.27Å; E212-D214 PolarHBondContact O-N 3.21Å; D214-N217 PolarHBondContact O-N 2.99Å; D214-D218 PolarHBondContact O-N 3.36Å
215K89.2Confident92Very high36 Ų3633.1 Ų33.116%0.15716%0.163CC..Hα-helixtrans-67-35.5173.7-70.8-71.2-167.4170.10112.4C211 E212 D218 I219C211-K215 HydrophobicContact CB-CB 3.71Å; E212-K215 PolarHBondContact O-N 3.07Å; E212-K215 VanDerWaalsContact O-N 3.11Å; K215-D218 PolarHBondContact O-N 2.67Å; K215-I219 VanDerWaalsContact O-CG1 3.26Å; K215-I219 WeakPolarHBondContact O-CG1 3.48Å; K215-I219 PolarHBondContact O-N 3.42Å
216V91.9Very high92Very high7 Ų734.1 Ų34.14%0.04217%0.17CC..Hα-helixtrans-61.6-47174.3172.60000110.3L209 C211 E212 R213 D218 I219 V220 I237L209-V216 HydrophobicContact CD1-CG1 4.49Å; C211-V216 HydrophobicContact CB-CG2 4.07Å; E212-V216 WeakPolarHBondContact O-CG2 3.26Å; E212-V216 PolarHBondContact O-N 3.24Å; R213-V216 PolarHBondContact O-N 2.86Å; V216-D218 PolarHBondContact O-N 2.94Å; V216-I219 PolarHBondContact O-N 2.95Å; V216-V220 HydrophobicContact CG1-CG2 4.14Å; V216-V220 WeakPolarHBondContact O-CB 3.49Å; V216-V220 WeakPolarHBondContact O-CG2 2.97Å; V216-V220 PolarHBondContact O-N 3.33Å; V216-I237 HydrophobicContact CG1-CD1 4.15Å; V216-I237 HydrophobicContact CG1-CG2 4.28Å; V216-I237 HydrophobicContact CG2-CG2 4.26Å
217N91.7Very high91.7Very high31 Ų3132 Ų3217%0.16617%0.171CC..Hα-helixtrans-60.5-44177.3-71.8-23000111.9R213 D214 I219 V220 D221 D246R213-N217 PolarHBondContact O-N 3.26Å; D214-N217 PolarHBondContact O-N 2.99Å; N217-I219 PolarHBondContact O-N 3.45Å; N217-V220 PolarHBondContact O-N 2.73Å; N217-D221 PolarHBondContact O-N 3.11Å; N217-D246 PolarHBondContact OD1-N 3.35Å
218D90.2Very high91.5Very high42 Ų4233.1 Ų33.123%0.22518%0.176CC..Hα-helixtrans-57.5-46175.5-83-19000112.6K188 D214 K215 V216 Q222K188-D218 IonicContact NZ-OD1 3.83Å; K188-D218 PolarHBondContact NZ-OD1 3.24Å; K188-D218 IonicContact NZ-OD2 2.7Å; K188-D218 PolarHBondContact NZ-OD2 2.67Å; D214-D218 PolarHBondContact O-N 3.36Å; K215-D218 PolarHBondContact O-N 2.67Å; V216-D218 PolarHBondContact O-N 2.94Å; D218-Q222 VanDerWaalsContact O-CG 3.27Å; D218-Q222 WeakPolarHBondContact O-CG 3.42Å; D218-Q222 PolarHBondContact O-N 3.18Å
219I92Very high91.3Very high0 Ų035 Ų350%019%0.185CC..Hα-helixtrans-67.7-41.4178.8-67.9167.3000110.3V180 Y192 F196 L209 K215 V216 N217 Q222 V223V180-I219 HydrophobicContact CG2-CD1 4.11Å; Y192-I219 HydrophobicContact CE1-CD1 4.36Å; Y192-I219 HydrophobicContact CE1-CG1 3.64Å; Y192-I219 WeakPolarHBondContact OH-CG1 3.45Å; F196-I219 HydrophobicContact CZ-CG2 4.29Å; L209-I219 HydrophobicContact CD1-CG2 4.33Å; L209-I219 HydrophobicContact CD2-CD1 4.42Å; L209-I219 HydrophobicContact CD2-CG2 3.97Å; K215-I219 VanDerWaalsContact O-CG1 3.26Å; K215-I219 WeakPolarHBondContact O-CG1 3.48Å; K215-I219 PolarHBondContact O-N 3.42Å; V216-I219 PolarHBondContact O-N 2.95Å; N217-I219 PolarHBondContact O-N 3.45Å; I219-Q222 WeakPolarHBondContact O-CB 3.44Å; I219-Q222 PolarHBondContact O-N 3.48Å; I219-V223 HydrophobicContact CG2-CG2 4.18Å; I219-V223 WeakPolarHBondContact O-CB 3.36Å; I219-V223 VanDerWaalsContact O-CG2 3.27Å; I219-V223 WeakPolarHBondContact O-CG2 3.42Å; I219-V223 PolarHBondContact O-N 3.45Å
220V92.2Very high91.1Very high12 Ų1238.1 Ų38.17%0.07320%0.204CC..Hα-helixtrans-63-44.4179.6166.70000111.2V216 N217 Q222 V223 I224 I250V216-V220 HydrophobicContact CG1-CG2 4.14Å; V216-V220 WeakPolarHBondContact O-CB 3.49Å; V216-V220 WeakPolarHBondContact O-CG2 2.97Å; V216-V220 PolarHBondContact O-N 3.33Å; N217-V220 PolarHBondContact O-N 2.73Å; V220-Q222 PolarHBondContact O-N 3.38Å; V220-V223 WeakPolarHBondContact O-CB 3.04Å; V220-V223 PolarHBondContact O-N 3.01Å; V220-I224 HydrophobicContact CG1-CD1 3.94Å; V220-I224 VanDerWaalsContact O-CG1 3.3Å; V220-I224 WeakPolarHBondContact O-CG1 3.49Å; V220-I224 PolarHBondContact O-N 2.92Å; V220-I250 HydrophobicContact CG1-CD1 4.24Å; V220-I250 HydrophobicContact CG1-CG2 3.55Å; V220-I250 HydrophobicContact CG2-CD1 4.47Å
221D91.8Very high90.8Very high56 Ų5641.4 Ų41.430%0.29922%0.218SC..Hα-helixtrans-59.9-38.1175.9-78.6-23000111.7N217 I224 T225 K249N217-D221 PolarHBondContact O-N 3.11Å; D221-I224 PolarHBondContact O-N 3.36Å; D221-T225 WeakPolarHBondContact O-CB 3.44Å; D221-T225 PolarHBondContact O-N 3.09Å; D221-T225 PolarHBondContact O-OG1 3.49Å; D221-K249 VanDerWaalsContact OD1-CD 3.26Å; D221-K249 WeakPolarHBondContact OD1-CD 3.34Å; D221-K249 WeakPolarHBondContact OD1-CE 3.49Å; D221-K249 IonicContact OD1-NZ 2.72Å; D221-K249 PolarHBondContact OD1-NZ 3.3Å; D221-K249 IonicContact OD2-NZ 2.63Å; D221-K249 PolarHBondContact OD2-NZ 3.45Å
222Q90.3Very high90.6Very high22 Ų2242.5 Ų42.510%0.10323%0.23CC..Hα-helixtrans-69.9-42.7175.3-70.5-68.3-26.100112.4D189 Y192 D218 I219 V220 I224 T225 I226D189-Q222 PolarHBondContact OD1-NE2 3.33Å; D189-Q222 PolarHBondContact OD1-OE1 3.46Å; D189-Q222 VanDerWaalsContact OD1-OE1 3.06Å; Y192-Q222 HydrophobicContact CD2-CB 4.3Å; Y192-Q222 HydrophobicContact CD2-CG 3.64Å; Y192-Q222 HydrophobicContact CE2-CG 4.35Å; Y192-Q222 HydrophobicContact CG-CB 4.34Å; Y192-Q222 HydrophobicContact CG-CG 4.13Å; D218-Q222 VanDerWaalsContact O-CG 3.27Å; D218-Q222 WeakPolarHBondContact O-CG 3.42Å; D218-Q222 PolarHBondContact O-N 3.18Å; I219-Q222 WeakPolarHBondContact O-CB 3.44Å; I219-Q222 PolarHBondContact O-N 3.48Å; V220-Q222 PolarHBondContact O-N 3.38Å; Q222-I224 VanDerWaalsContact C-N 3.25Å; Q222-I224 PolarHBondContact O-N 3.38Å; Q222-T225 WeakPolarHBondContact O-CB 3.4Å; Q222-T225 PolarHBondContact O-N 3.41Å; Q222-T225 VanDerWaalsContact O-N 3.15Å; Q222-I226 VanDerWaalsContact O-CG1 3.29Å; Q222-I226 WeakPolarHBondContact O-CG1 3.49Å; Q222-I226 PolarHBondContact O-N 3.31Å
223V92.7Very high90.9Very high5 Ų539.1 Ų39.13%0.0321%0.213CC..Hα-helixtrans-57.9-38.5174.4165.50000111.7F196 I219 V220 I226 G227 K228 H229 Y235F196-V223 HydrophobicContact CE1-CG2 3.97Å; F196-V223 HydrophobicContact CE2-CG2 3.75Å; F196-V223 HydrophobicContact CZ-CG2 3.27Å; I219-V223 HydrophobicContact CG2-CG2 4.18Å; I219-V223 WeakPolarHBondContact O-CB 3.36Å; I219-V223 VanDerWaalsContact O-CG2 3.27Å; I219-V223 WeakPolarHBondContact O-CG2 3.42Å; I219-V223 PolarHBondContact O-N 3.45Å; V220-V223 WeakPolarHBondContact O-CB 3.04Å; V220-V223 PolarHBondContact O-N 3.01Å; V223-I226 WeakPolarHBondContact O-CG1 3.39Å; V223-G227 PolarHBondContact O-N 3.05Å; V223-K228 HydrophobicContact CG1-CB 4.18Å; V223-K228 PolarHBondContact O-N 3.4Å; V223-H229 HydrophobicContact CG1-CB 4.15Å; V223-Y235 HydrophobicContact CG1-CE1 4.45Å; V223-Y235 HydrophobicContact CG1-CE2 4.13Å; V223-Y235 VanDerWaalsContact CG1-OH 3.27Å; V223-Y235 WeakPolarHBondContact CG1-OH 3.33Å; V223-Y235 HydrophobicContact CG2-CE1 4.22Å
224I92.6Very high91.2Very high46 Ų4637.1 Ų37.124%0.23621%0.206CC..Hα-helixtrans-67.7-48.9175.4-65.8161.1000110.2V220 D221 Q222 I226 G227 K249 I250V220-I224 HydrophobicContact CG1-CD1 3.94Å; V220-I224 VanDerWaalsContact O-CG1 3.3Å; V220-I224 WeakPolarHBondContact O-CG1 3.49Å; V220-I224 PolarHBondContact O-N 2.92Å; D221-I224 PolarHBondContact O-N 3.36Å; Q222-I224 VanDerWaalsContact C-N 3.25Å; Q222-I224 PolarHBondContact O-N 3.38Å; I224-I226 VanDerWaalsContact C-N 3.25Å; I224-I226 PolarHBondContact O-N 3.03Å; I224-G227 PolarHBondContact O-N 2.69Å; I224-K249 HydrophobicContact CD1-CB 3.45Å; I224-K249 VanDerWaalsContact CD1-CB 3.45Å; I224-K249 HydrophobicContact CD1-CD 4.25Å; I224-K249 HydrophobicContact CD1-CG 4.46Å; I224-I250 HydrophobicContact CD1-CG2 3.78Å; I224-I250 HydrophobicContact CG1-CG2 3.8Å
225T91.2Very high91.6Very high83 Ų8333.4 Ų33.451%0.50919%0.186SC..Hα-helixtrans-56.6-38.3-179.1-59.10000112.4D221 Q222D221-T225 WeakPolarHBondContact O-CB 3.44Å; D221-T225 PolarHBondContact O-N 3.09Å; D221-T225 PolarHBondContact O-OG1 3.49Å; Q222-T225 WeakPolarHBondContact O-CB 3.4Å; Q222-T225 PolarHBondContact O-N 3.41Å; Q222-T225 VanDerWaalsContact O-N 3.15Å
226I91.1Very high91.9Very high47 Ų4731.7 Ų31.724%0.24118%0.178CC..THydrogen-bonded Turntrans-87.9-2.2177.367.6-177.3000114R193 F196 Q222 V223 I224 K228R193-I226 HydrophobicContact CG-CG2 4.24Å; F196-I226 HydrophobicContact CB-CD1 3.46Å; F196-I226 VanDerWaalsContact CB-CD1 3.46Å; F196-I226 HydrophobicContact CD1-CD1 3.88Å; F196-I226 HydrophobicContact CD2-CD1 3.32Å; F196-I226 HydrophobicContact CE1-CD1 4.47Å; F196-I226 HydrophobicContact CE2-CD1 4.01Å; F196-I226 HydrophobicContact CG-CD1 3.26Å; Q222-I226 VanDerWaalsContact O-CG1 3.29Å; Q222-I226 WeakPolarHBondContact O-CG1 3.49Å; Q222-I226 PolarHBondContact O-N 3.31Å; V223-I226 WeakPolarHBondContact O-CG1 3.39Å; I224-I226 VanDerWaalsContact C-N 3.25Å; I224-I226 PolarHBondContact O-N 3.03Å; I226-K228 HydrophobicContact CD1-CB 4.13Å; I226-K228 HydrophobicContact CD1-CD 3.6Å; I226-K228 HydrophobicContact CD1-CG 3.81Å; I226-K228 HydrophobicContact CG1-CB 4.02Å; I226-K228 HydrophobicContact CG1-CD 4.2Å; I226-K228 HydrophobicContact CG1-CG 3.82Å
227G90.7Very high92.1Very high32 Ų3231.7 Ų31.733%0.3318%0.178SC..THydrogen-bonded Turntrans71.826.6178.200000115.3V223 I224 H229V223-G227 PolarHBondContact O-N 3.05Å; I224-G227 PolarHBondContact O-N 2.69Å; G227-H229 VanDerWaalsContact C-N 3.34Å
228K92.5Very high92.3Very high27 Ų2730.2 Ų30.212%0.11717%0.17CC..THydrogen-bonded Turntrans-92.416.3178.9-70.6-169.6-169-65.20114.3F196 E200 V223 I226 Y233 Y235F196-K228 HydrophobicContact CB-CD 4.16Å; F196-K228 HydrophobicContact CD1-CD 3.63Å; F196-K228 HydrophobicContact CE1-CD 4.38Å; F196-K228 HydrophobicContact CG-CD 4.13Å; F196-K228 WeakPolarHBondContact O-CE 3.33Å; E200-K228 IonicContact OE2-NZ 3.83Å; E200-K228 PolarHBondContact OE2-NZ 2.95Å; V223-K228 HydrophobicContact CG1-CB 4.18Å; V223-K228 PolarHBondContact O-N 3.4Å; I226-K228 HydrophobicContact CD1-CB 4.13Å; I226-K228 HydrophobicContact CD1-CD 3.6Å; I226-K228 HydrophobicContact CD1-CG 3.81Å; I226-K228 HydrophobicContact CG1-CB 4.02Å; I226-K228 HydrophobicContact CG1-CD 4.2Å; I226-K228 HydrophobicContact CG1-CG 3.82Å; K228-Y233 HydrophobicContact CB-CE1 4.16Å; K228-Y233 HydrophobicContact CB-CE2 4.19Å; K228-Y233 HydrophobicContact CD-CE1 4.16Å; K228-Y233 HydrophobicContact CG-CE1 4.25Å; K228-Y233 HydrophobicContact CG-CE2 4.29Å; K228-Y233 PolarHBondContact NZ-OH 3.06Å; K228-Y233 WeakPolarHBondContact O-CB 3.3Å; K228-Y233 VanDerWaalsContact O-CD2 3.26Å; K228-Y233 WeakPolarHBondContact O-CD2 3.48Å; K228-Y235 WeakPolarHBondContact O-CE2 3.44Å; K228-Y235 PolarHBondContact O-OH 3.31Å
229H92.6Very high92.4Very high39 Ų3928.6 Ų28.618%0.18116%0.162CC..THydrogen-bonded Turntrans-98.914.3175.462.7-67.7000112.9V223 G227 I250 G253 A255V223-H229 HydrophobicContact CG1-CB 4.15Å; G227-H229 VanDerWaalsContact C-N 3.34Å; H229-I250 HydrophobicContact CB-CG2 4.41Å; H229-G253 VanDerWaalsContact CD2-CA 3.4Å; H229-G253 WeakPolarHBondContact CD2-CA 3.48Å; H229-G253 CarbonylContact O-C 3.58Å; H229-G253 VanDerWaalsContact O-CA 3.23Å; H229-G253 WeakPolarHBondContact O-CA 3.45Å; H229-A255 VanDerWaalsContact O-CB 3.23Å; H229-A255 WeakPolarHBondContact O-CB 3.32Å; H229-A255 PolarHBondContact O-N 3.04Å
230V91.3Very high92.5Very high68 Ų6828.7 Ų28.741%0.41216%0.162SC..BIsolated β-bridgetrans-81.4165.2-178.8-62.20000113G232 Y233 G253V230-G232 PolarHBondContact O-N 3.38Å; V230-Y233 HydrophobicContact CG2-CD2 3.87Å; V230-Y233 HydrophobicContact CG2-CE2 3.96Å; V230-Y233 PolarHBondContact O-N 3.42Å; V230-G253 WeakPolarHBondContact CA-O 3.26Å
231K87.3Confident92.6Very high72 Ų7228.1 Ų28.131%0.31316%0.158SC..THydrogen-bonded Turntrans-51.1131.3173.6-172.7-179.6176.3-171.70111.6G254 D494K231-G254 WeakPolarHBondContact CA-O 3.16Å; K231-D494 WeakPolarHBondContact CE-OD1 3.43Å; K231-D494 IonicContact NZ-OD1 3.06Å; K231-D494 PolarHBondContact NZ-OD1 2.92Å; K231-D494 IonicContact NZ-OD2 3.6Å; K231-D494 PolarHBondContact NZ-OD2 3.36Å
232G87.1Confident92.7Very high24 Ų2425.5 Ų25.525%0.24715%0.145CC..THydrogen-bonded Turntrans109-21.2-176.100000113.3R205 V230 G491R205-G232 WeakPolarHBondContact CB-O 3.31Å; V230-G232 PolarHBondContact O-N 3.38Å; G232-G491 WeakPolarHBondContact CA-O 3.4Å
233Y93.7Very high92.7Very high21 Ų2125.8 Ų25.88%0.08215%0.148CC..  trans-86.9147.8169.7-72.1-87.8000111.8E200 E204 R205 K228 V230 A255 N256E200-Y233 PolarHBondContact OE2-OH 2.94Å; E204-Y233 WeakPolarHBondContact O-CE1 3.48Å; R205-Y233 PolarHBondContact NH1-OH 3.33Å; R205-Y233 VanDerWaalsContact NH1-OH 3.1Å; R205-Y233 CarbonylContact O-C 3.58Å; R205-Y233 WeakPolarHBondContact O-CA 3.33Å; K228-Y233 HydrophobicContact CB-CE1 4.16Å; K228-Y233 HydrophobicContact CB-CE2 4.19Å; K228-Y233 HydrophobicContact CD-CE1 4.16Å; K228-Y233 HydrophobicContact CG-CE1 4.25Å; K228-Y233 HydrophobicContact CG-CE2 4.29Å; K228-Y233 PolarHBondContact NZ-OH 3.06Å; K228-Y233 WeakPolarHBondContact O-CB 3.3Å; K228-Y233 VanDerWaalsContact O-CD2 3.26Å; K228-Y233 WeakPolarHBondContact O-CD2 3.48Å; V230-Y233 HydrophobicContact CG2-CD2 3.87Å; V230-Y233 HydrophobicContact CG2-CE2 3.96Å; V230-Y233 PolarHBondContact O-N 3.42Å; Y233-A255 VanDerWaalsContact O-CA 3.27Å; Y233-A255 WeakPolarHBondContact O-CA 3.28Å; Y233-A255 WeakPolarHBondContact O-CB 3.39Å; Y233-N256 PolarHBondContact O-N 3.42Å
234H95.4Very high92.5Very high20 Ų2026.6 Ų26.69%0.09315%0.152CC..EExtended strand (participates in β ladder)trans-138.8121175.6-165.2170000110.2Y143 W145 R205 R206 V207 N256 S258Y143-H234 AromaticContact CD1-CE1 3.78Å; Y143-H234 AromaticContact CD2-CE1 3.95Å; Y143-H234 AromaticContact CE1-CE1 3.63Å; Y143-H234 AromaticContact CE2-CE1 3.77Å; Y143-H234 AromaticContact CE2-NE2 3.88Å; Y143-H234 AromaticContact CG-CE1 3.95Å; Y143-H234 AromaticContact CZ-CE1 3.63Å; Y143-H234 AromaticContact CZ-NE2 3.85Å; W145-H234 HydrophobicContact CZ2-CB 3.88Å; W145-H234 AromaticContact CZ2-CD2 3.92Å; W145-H234 AromaticContact CZ2-CE1 3.83Å; W145-H234 AromaticContact CZ2-CG 3.52Å; W145-H234 AromaticContact CZ2-ND1 3.49Å; W145-H234 WeakPolarHBondContact CZ2-ND1 3.37Å; W145-H234 AromaticContact NE1-ND1 3.91Å; R205-H234 PolarHBondContact O-N 3.29Å; R206-H234 WeakPolarHBondContact CA-O 3.37Å; V207-H234 PolarHBondContact N-O 3.46Å; H234-N256 CarbonylContact C-O 3.22Å; H234-N256 VanDerWaalsContact CA-O 3.26Å; H234-N256 WeakPolarHBondContact CA-O 3.46Å; H234-N256 HydrophobicContact CB-CB 4.39Å; H234-N256 PolarHBondContact CD2-O 2.76Å; H234-N256 VanDerWaalsContact CD2-O 3.23Å; H234-S258 PolarHBondContact NE2-OG 3.25Å
235Y96Very high92Very high12 Ų1225.4 Ų25.45%0.04715%0.151CC..EExtended strand (participates in β ladder)trans-108.5137.6179.1-65.4-86.1000111.4V207 L209 V223 K228 A255 N256 V257 S258V207-Y235 HydrophobicContact CB-CD1 3.75Å; V207-Y235 HydrophobicContact CB-CE1 3.78Å; V207-Y235 HydrophobicContact CG1-CD1 4.24Å; V207-Y235 HydrophobicContact CG1-CE1 4.21Å; V207-Y235 HydrophobicContact CG2-CD1 4.44Å; V207-Y235 HydrophobicContact CG2-CE1 4.01Å; V207-Y235 CarbonylContact O-C 3.13Å; V207-Y235 VanDerWaalsContact O-CA 3.29Å; V207-Y235 WeakPolarHBondContact O-CA 3.49Å; L209-Y235 HydrophobicContact CD1-CD1 4.43Å; V223-Y235 HydrophobicContact CG1-CE1 4.45Å; V223-Y235 HydrophobicContact CG1-CE2 4.13Å; V223-Y235 VanDerWaalsContact CG1-OH 3.27Å; V223-Y235 WeakPolarHBondContact CG1-OH 3.33Å; V223-Y235 HydrophobicContact CG2-CE1 4.22Å; K228-Y235 WeakPolarHBondContact O-CE2 3.44Å; K228-Y235 PolarHBondContact O-OH 3.31Å; Y235-A255 HydrophobicContact CD2-CB 4.25Å; Y235-A255 HydrophobicContact CE2-CB 4.26Å; Y235-N256 PolarHBondContact N-O 2.85Å; Y235-V257 CarbonylContact O-C 3.58Å; Y235-V257 WeakPolarHBondContact O-CA 3.35Å; Y235-S258 PolarHBondContact O-N 3.25Å
236I97Very high91.8Very high0 Ų024.3 Ų24.30%014%0.142CC..EExtended strand (participates in β ladder)trans-117121.3169-64.6175.2000108.4L136 L139 Y143 W145 V207 I208 L209 S258 F260L136-I236 HydrophobicContact CD1-CG2 3.98Å; L139-I236 HydrophobicContact CD2-CD1 4.14Å; L139-I236 HydrophobicContact CD2-CG1 4.43Å; L139-I236 HydrophobicContact CD2-CG2 3.97Å; L139-I236 HydrophobicContact CG-CD1 4.37Å; Y143-I236 HydrophobicContact CD2-CD1 4.17Å; Y143-I236 HydrophobicContact CE2-CD1 4.41Å; W145-I236 HydrophobicContact CE3-CD1 4.2Å; W145-I236 HydrophobicContact CH2-CD1 3.43Å; W145-I236 VanDerWaalsContact CH2-CD1 3.43Å; W145-I236 HydrophobicContact CH2-CG1 3.63Å; W145-I236 HydrophobicContact CZ2-CD1 3.85Å; W145-I236 HydrophobicContact CZ2-CG1 4.17Å; W145-I236 HydrophobicContact CZ3-CD1 3.62Å; W145-I236 HydrophobicContact CZ3-CG1 4.19Å; V207-I236 PolarHBondContact O-N 3.04Å; I208-I236 CarbonylContact C-O 3.54Å; I208-I236 WeakPolarHBondContact CA-O 3.13Å; I208-I236 HydrophobicContact CG1-CB 4.31Å; I208-I236 HydrophobicContact CG2-CG2 4.49Å; L209-I236 PolarHBondContact N-O 3.09Å; I236-S258 CarbonylContact C-O 3.56Å; I236-S258 WeakPolarHBondContact CA-O 3.13Å; I236-F260 HydrophobicContact CG2-CE2 4.16Å
237I96Very high91.6Very high6 Ų622.9 Ų22.93%0.03114%0.135CC..EExtended strand (participates in β ladder)trans-92.5110.1175.9-53.8-179.4000108.3V216 N239 F242 L247 V257 S258 G259 F260V216-I237 HydrophobicContact CG1-CD1 4.15Å; V216-I237 HydrophobicContact CG1-CG2 4.28Å; V216-I237 HydrophobicContact CG2-CG2 4.26Å; I237-N239 VanDerWaalsContact C-N 3.27Å; I237-N239 HydrophobicContact CG2-CB 4.46Å; I237-N239 WeakPolarHBondContact CG2-OD1 3.47Å; I237-N239 PolarHBondContact O-N 3Å; I237-N239 VanDerWaalsContact O-N 3.14Å; I237-F242 HydrophobicContact CB-CD2 4.26Å; I237-F242 HydrophobicContact CD1-CD2 4.04Å; I237-F242 HydrophobicContact CD1-CE2 3.87Å; I237-F242 HydrophobicContact CG1-CD2 4.47Å; I237-F242 HydrophobicContact CG1-CE2 4.34Å; I237-L247 HydrophobicContact CD1-CD2 4.19Å; I237-V257 HydrophobicContact CD1-CG1 4.05Å; I237-V257 HydrophobicContact CG1-CG1 4.28Å; I237-S258 PolarHBondContact N-O 3.25Å; I237-G259 WeakPolarHBondContact O-CA 3.2Å; I237-F260 WeakPolarHBondContact O-CD2 3.36Å
238A94.9Very high91.5Very high1 Ų127.1 Ų27.11%0.00815%0.149CC..  trans-88.756.2-176.800000111.9L132 L136 R156 I208 L209 D210L132-A238 VanDerWaalsContact CD2-C 3.4Å; L132-A238 HydrophobicContact CD2-CB 4.28Å; L132-A238 WeakPolarHBondContact CD2-O 3.29Å; L136-A238 HydrophobicContact CD1-CB 4.31Å; L136-A238 HydrophobicContact CD2-CB 4.24Å; R156-A238 PolarHBondContact NH1-O 3.28Å; I208-A238 HydrophobicContact CG2-CB 4.2Å; L209-A238 PolarHBondContact O-N 3.29Å; D210-A238 HydrophobicContact CB-CB 4.06Å
239N92.8Very high91.3Very high8 Ų830.4 Ų30.44%0.04316%0.164CC..SBendtrans-127.6168.5170.169.39.6000110.1I237 G241 F242 F260I237-N239 VanDerWaalsContact C-N 3.27Å; I237-N239 HydrophobicContact CG2-CB 4.46Å; I237-N239 WeakPolarHBondContact CG2-OD1 3.47Å; I237-N239 PolarHBondContact O-N 3Å; I237-N239 VanDerWaalsContact O-N 3.14Å; N239-G241 VanDerWaalsContact C-N 3.32Å; N239-G241 PolarHBondContact ND2-O 2.91Å; N239-G241 PolarHBondContact OD1-N 3.46Å; N239-G241 PolarHBondContact OD1-O 3.49Å; N239-F242 PolarHBondContact OD1-N 2.86Å; N239-F260 WeakPolarHBondContact O-CB 3.2Å
240L94.4Very high91.3Very high1 Ų129.2 Ų29.21%0.00516%0.158CC..SBendtrans-88.90.5178.3-67.9173.5000113.5R129 L132 F260 Q261 I262 Y295 I373R129-L240 HydrophobicContact CG-CD1 3.52Å; L132-L240 HydrophobicContact CD1-CD2 3.91Å; L240-F260 CarbonylContact C-O 3.46Å; L240-Q261 WeakPolarHBondContact O-CA 3.28Å; L240-I262 HydrophobicContact CB-CB 4.2Å; L240-I262 HydrophobicContact CB-CG2 3.97Å; L240-I262 HydrophobicContact CD2-CB 4.43Å; L240-I262 PolarHBondContact O-N 2.93Å; L240-Y295 HydrophobicContact CB-CD2 3.77Å; L240-Y295 HydrophobicContact CB-CE2 4.13Å; L240-Y295 HydrophobicContact CB-CG 3.98Å; L240-Y295 HydrophobicContact CD1-CD2 4.23Å; L240-Y295 HydrophobicContact CD1-CE2 4.31Å; L240-I373 HydrophobicContact CD2-CD1 3.94Å; L240-I373 HydrophobicContact CD2-CG1 4.32Å
241G93.2Very high91.1Very high0 Ų027.5 Ų27.50%015%0.146CC..BIsolated β-bridgetrans-127.869.3-176.300000110.1N239 T243 D244 F260N239-G241 VanDerWaalsContact C-N 3.32Å; N239-G241 PolarHBondContact ND2-O 2.91Å; N239-G241 PolarHBondContact OD1-N 3.46Å; N239-G241 PolarHBondContact OD1-O 3.49Å; G241-T243 VanDerWaalsContact C-N 3.3Å; G241-T243 PolarHBondContact O-N 2.95Å; G241-D244 WeakPolarHBondContact O-CB 3.47Å; G241-D244 PolarHBondContact O-N 2.99Å; G241-F260 PolarHBondContact N-O 2.88Å
242F93.3Very high91.2Very high2 Ų231.4 Ų31.41%0.00916%0.163CC..G310 helixtrans-58.3-43.7179-179.6-116.9000111.9I237 N239 D244 L247 V257 F260 M376 L378 P383I237-F242 HydrophobicContact CB-CD2 4.26Å; I237-F242 HydrophobicContact CD1-CD2 4.04Å; I237-F242 HydrophobicContact CD1-CE2 3.87Å; I237-F242 HydrophobicContact CG1-CD2 4.47Å; I237-F242 HydrophobicContact CG1-CE2 4.34Å; N239-F242 PolarHBondContact OD1-N 2.86Å; F242-D244 VanDerWaalsContact C-N 3.27Å; F242-D244 PolarHBondContact O-N 3.35Å; F242-L247 HydrophobicContact CD1-CD1 3.85Å; F242-L247 HydrophobicContact CE1-CD1 3.6Å; F242-L247 HydrophobicContact CE2-CD1 4.41Å; F242-L247 HydrophobicContact CE2-CD2 4.2Å; F242-L247 HydrophobicContact CG-CD1 4.39Å; F242-L247 HydrophobicContact CZ-CD1 3.92Å; F242-L247 HydrophobicContact CZ-CD2 4.27Å; F242-V257 HydrophobicContact CE2-CG1 3.93Å; F242-V257 HydrophobicContact CZ-CG1 4.18Å; F242-F260 WeakPolarHBondContact CB-O 3.49Å; F242-F260 PolarHBondContact N-O 3.32Å; F242-M376 HydrophobicContact CB-CB 4.48Å; F242-M376 HydrophobicContact CD1-CB 3.43Å; F242-M376 VanDerWaalsContact CD1-CB 3.43Å; F242-M376 HydrophobicContact CD1-CG 4.22Å; F242-M376 HydrophobicContact CE1-CB 3.86Å; F242-M376 HydrophobicContact CG-CB 4.12Å; F242-L378 HydrophobicContact CE1-CB 4.5Å; F242-L378 HydrophobicContact CZ-CB 4.1Å; F242-P383 HydrophobicContact CD1-CB 4.33Å; F242-P383 HydrophobicContact CE1-CB 4.09Å
243T91.9Very high91.2Very high27 Ų2731.3 Ų31.317%0.16616%0.162CC..G310 helixtrans-841.5-178.560.10000113.8G241 G245 Q261 P383G241-T243 VanDerWaalsContact C-N 3.3Å; G241-T243 PolarHBondContact O-N 2.95Å; T243-G245 VanDerWaalsContact C-N 3.33Å; T243-Q261 PolarHBondContact OG1-NE2 3.31Å; T243-Q261 PolarHBondContact OG1-OE1 2.98Å; T243-P383 HydrophobicContact CG2-CB 3.91Å; T243-P383 HydrophobicContact CG2-CG 3.79Å
244D88.2Confident90.8Very high23 Ų2332.2 Ų32.212%0.12318%0.178CC..G310 helixtrans-77.6-23.8-178.9-62.26.7000111.7R213 G241 F242 K294 Y295R213-D244 WeakPolarHBondContact CD-O 3.18Å; G241-D244 WeakPolarHBondContact O-CB 3.47Å; G241-D244 PolarHBondContact O-N 2.99Å; F242-D244 VanDerWaalsContact C-N 3.27Å; F242-D244 PolarHBondContact O-N 3.35Å; D244-K294 WeakPolarHBondContact OD2-CA 3.26Å; D244-Y295 WeakPolarHBondContact OD2-CD1 3.43Å; D244-Y295 PolarHBondContact OD2-N 3.43Å
245G82.6Confident90.7Very high21 Ų2131.9 Ų31.922%0.21618%0.178CC..SBendtrans-90.4173.7178.300000113.6T243 L247T243-G245 VanDerWaalsContact C-N 3.33Å; G245-L247 PolarHBondContact O-N 2.02Å; G245-L247 VanDerWaalsContact O-N 3.12Å
246D85.8Confident90.5Very high60 Ų6035 Ų3532%0.32120%0.196SC..  trans-83.389177.4-172.1-2.8000111.2N217 L248 K249N217-D246 PolarHBondContact OD1-N 3.35Å; D246-L248 PolarHBondContact OD1-N 3.29Å; D246-K249 WeakPolarHBondContact OD2-CD 3.44Å; D246-K249 WeakPolarHBondContact OD2-CE 3.29Å; D246-K249 WeakPolarHBondContact OD2-CG 3.22Å; D246-K249 IonicContact OD2-NZ 2.72Å
247L87.8Confident90.4Very high17 Ų1735 Ų359%0.08920%0.196CC..  trans-80.3-16.9178.8-61.5-179.6000113.4I237 F242 G245 K249 I250 Q251 L378I237-L247 HydrophobicContact CD1-CD2 4.19Å; F242-L247 HydrophobicContact CD1-CD1 3.85Å; F242-L247 HydrophobicContact CE1-CD1 3.6Å; F242-L247 HydrophobicContact CE2-CD1 4.41Å; F242-L247 HydrophobicContact CE2-CD2 4.2Å; F242-L247 HydrophobicContact CG-CD1 4.39Å; F242-L247 HydrophobicContact CZ-CD1 3.92Å; F242-L247 HydrophobicContact CZ-CD2 4.27Å; G245-L247 PolarHBondContact O-N 2.02Å; G245-L247 VanDerWaalsContact O-N 3.12Å; L247-K249 VanDerWaalsContact C-N 3.25Å; L247-K249 PolarHBondContact O-N 3.46Å; L247-I250 HydrophobicContact CD2-CD1 4.36Å; L247-I250 WeakPolarHBondContact O-CG1 3.39Å; L247-I250 PolarHBondContact O-N 3.46Å; L247-Q251 PolarHBondContact O-N 2.92Å; L247-L378 HydrophobicContact CB-CD1 4.11Å; L247-L378 HydrophobicContact CB-CD2 4.23Å; L247-L378 HydrophobicContact CD1-CD1 4.34Å
248L88.8Confident90.4Very high121 Ų12134.7 Ų34.763%0.63419%0.194SC*.THydrogen-bonded Turntrans-63.2-35.9-174.6-68.1169.7000111.2D246 I250 Q251D246-L248 PolarHBondContact OD1-N 3.29Å; L248-I250 VanDerWaalsContact C-N 3.26Å; L248-I250 PolarHBondContact O-N 3.47Å; L248-Q251 PolarHBondContact O-N 3.44Å
249K88.4Confident90.4Very high96 Ų9634.7 Ų34.742%0.41719%0.194SC..THydrogen-bonded Turntrans-63.2-28.3-178.7-60.5179.2172.1167.80113.9D221 I224 D246 L247D221-K249 VanDerWaalsContact OD1-CD 3.26Å; D221-K249 WeakPolarHBondContact OD1-CD 3.34Å; D221-K249 WeakPolarHBondContact OD1-CE 3.49Å; D221-K249 IonicContact OD1-NZ 2.72Å; D221-K249 PolarHBondContact OD1-NZ 3.3Å; D221-K249 IonicContact OD2-NZ 2.63Å; D221-K249 PolarHBondContact OD2-NZ 3.45Å; I224-K249 HydrophobicContact CD1-CB 3.45Å; I224-K249 VanDerWaalsContact CD1-CB 3.45Å; I224-K249 HydrophobicContact CD1-CD 4.25Å; I224-K249 HydrophobicContact CD1-CG 4.46Å; D246-K249 WeakPolarHBondContact OD2-CD 3.44Å; D246-K249 WeakPolarHBondContact OD2-CE 3.29Å; D246-K249 WeakPolarHBondContact OD2-CG 3.22Å; D246-K249 IonicContact OD2-NZ 2.72Å; L247-K249 VanDerWaalsContact C-N 3.25Å; L247-K249 PolarHBondContact O-N 3.46Å
250I90.5Very high90.6Very high13 Ų1334.3 Ų34.37%0.06719%0.192CC..THydrogen-bonded Turntrans-106.4-7.7-178.356.4-175.4000113.8V220 I224 H229 L247 L248 F252 G253 V257 L378V220-I250 HydrophobicContact CG1-CD1 4.24Å; V220-I250 HydrophobicContact CG1-CG2 3.55Å; V220-I250 HydrophobicContact CG2-CD1 4.47Å; I224-I250 HydrophobicContact CD1-CG2 3.78Å; I224-I250 HydrophobicContact CG1-CG2 3.8Å; H229-I250 HydrophobicContact CB-CG2 4.41Å; L247-I250 HydrophobicContact CD2-CD1 4.36Å; L247-I250 WeakPolarHBondContact O-CG1 3.39Å; L247-I250 PolarHBondContact O-N 3.46Å; L248-I250 VanDerWaalsContact C-N 3.26Å; L248-I250 PolarHBondContact O-N 3.47Å; I250-F252 VanDerWaalsContact C-N 3.25Å; I250-F252 PolarHBondContact O-N 3.46Å; I250-G253 PolarHBondContact O-N 3.18Å; I250-V257 HydrophobicContact CD1-CB 4.48Å; I250-V257 HydrophobicContact CD1-CG1 4.1Å; I250-V257 HydrophobicContact CD1-CG2 3.85Å; I250-V257 HydrophobicContact CG1-CG2 4.37Å; I250-L378 HydrophobicContact CD1-CD2 4.38Å; I250-L378 HydrophobicContact CG1-CD2 3.8Å
251Q89.1Confident90.6Very high32 Ų3234.4 Ų34.415%0.1519%0.193CC..THydrogen-bonded Turntrans-57.9-33.4-176-177.3170.8-17.600114L247 L248 L378 T380L247-Q251 PolarHBondContact O-N 2.92Å; L248-Q251 PolarHBondContact O-N 3.44Å; Q251-L378 HydrophobicContact CB-CD1 4.49Å; Q251-L378 HydrophobicContact CB-CD2 4.29Å; Q251-L378 HydrophobicContact CG-CD1 4.38Å; Q251-T380 PolarHBondContact NE2-O 2.8Å
252F88.6Confident90.7Very high155 Ų15534.7 Ų34.768%0.6819%0.194SC*.THydrogen-bonded Turntrans-103.95.1-177-55.7-74000114I250 T380I250-F252 VanDerWaalsContact C-N 3.25Å; I250-F252 PolarHBondContact O-N 3.46Å; F252-T380 HydrophobicContact CD1-CG2 4.27Å; F252-T380 HydrophobicContact CE1-CG2 3.99Å
253G86.2Confident90.8Very high21 Ų2134.7 Ų34.722%0.21619%0.194CC..THydrogen-bonded Turntrans-69.5-37-179.200000114.3H229 V230 I250H229-G253 VanDerWaalsContact CD2-CA 3.4Å; H229-G253 WeakPolarHBondContact CD2-CA 3.48Å; H229-G253 CarbonylContact O-C 3.58Å; H229-G253 VanDerWaalsContact O-CA 3.23Å; H229-G253 WeakPolarHBondContact O-CA 3.45Å; V230-G253 WeakPolarHBondContact CA-O 3.26Å; I250-G253 PolarHBondContact O-N 3.18Å
254G86.6Confident90.9Very high41 Ų4135.3 Ų35.342%0.42320%0.196SC..BIsolated β-bridgetrans98.6-7.9-17600000114.7K231K231-G254 WeakPolarHBondContact CA-O 3.16Å
255A92.1Very high91Very high12 Ų1237.1 Ų37.110%0.09920%0.202CC..  trans-68.8143.1165.100000110.8H229 Y233 Y235H229-A255 VanDerWaalsContact O-CB 3.23Å; H229-A255 WeakPolarHBondContact O-CB 3.32Å; H229-A255 PolarHBondContact O-N 3.04Å; Y233-A255 VanDerWaalsContact O-CA 3.27Å; Y233-A255 WeakPolarHBondContact O-CA 3.28Å; Y233-A255 WeakPolarHBondContact O-CB 3.39Å; Y235-A255 HydrophobicContact CD2-CB 4.25Å; Y235-A255 HydrophobicContact CE2-CB 4.26Å
256N92.5Very high91.4Very high77 Ų7742.9 Ų42.941%0.41223%0.228SC..EExtended strand (participates in β ladder)trans-79.3133.7172.9-67.8-14.9000108.9Y233 H234 Y235Y233-N256 PolarHBondContact O-N 3.42Å; H234-N256 CarbonylContact C-O 3.22Å; H234-N256 VanDerWaalsContact CA-O 3.26Å; H234-N256 WeakPolarHBondContact CA-O 3.46Å; H234-N256 HydrophobicContact CB-CB 4.39Å; H234-N256 PolarHBondContact CD2-O 2.76Å; H234-N256 VanDerWaalsContact CD2-O 3.23Å; Y235-N256 PolarHBondContact N-O 2.85Å
257V95Very high91.7Very high1 Ų143 Ų431%0.00623%0.228CC..EExtended strand (participates in β ladder)trans-127.8124178.2-170.20000108.1Y235 I237 F242 I250 E377 L378Y235-V257 CarbonylContact O-C 3.58Å; Y235-V257 WeakPolarHBondContact O-CA 3.35Å; I237-V257 HydrophobicContact CD1-CG1 4.05Å; I237-V257 HydrophobicContact CG1-CG1 4.28Å; F242-V257 HydrophobicContact CE2-CG1 3.93Å; F242-V257 HydrophobicContact CZ-CG1 4.18Å; I250-V257 HydrophobicContact CD1-CB 4.48Å; I250-V257 HydrophobicContact CD1-CG1 4.1Å; I250-V257 HydrophobicContact CD1-CG2 3.85Å; I250-V257 HydrophobicContact CG1-CG2 4.37Å; V257-E377 WeakPolarHBondContact O-CA 3.34Å; V257-L378 HydrophobicContact CB-CB 3.99Å; V257-L378 HydrophobicContact CB-CD2 4.22Å; V257-L378 HydrophobicContact CG2-CD2 4.28Å; V257-L378 PolarHBondContact O-N 2.86Å
258S95.1Very high91.9Very high0 Ų046 Ų460%025%0.251CS..EExtended strand (participates in β ladder)trans-122.8157.6179-47.10000110.3Y143 H234 Y235 I236 I237 M376Y143-S258 PolarHBondContact OH-OG 3.45Å; H234-S258 PolarHBondContact NE2-OG 3.25Å; Y235-S258 PolarHBondContact O-N 3.25Å; I236-S258 CarbonylContact C-O 3.56Å; I236-S258 WeakPolarHBondContact CA-O 3.13Å; I237-S258 PolarHBondContact N-O 3.25Å; S258-M376 CarbonylContact C-O 3.58Å; S258-M376 VanDerWaalsContact CA-O 3.3Å; S258-M376 WeakPolarHBondContact CA-O 3.45Å
259G95.3Very high92.2Very high0 Ų043 Ų430%024%0.235CC..EExtended strand (participates in β ladder)trans-170.2-167.9173.600000112I237 M376I237-G259 WeakPolarHBondContact O-CA 3.2Å; G259-M376 PolarHBondContact N-O 3.33Å; G259-M376 PolarHBondContact O-N 3.1Å
260F96.2Very high92.5Very high0 Ų038.5 Ų38.50%022%0.216CC..EExtended strand (participates in β ladder)trans-121.4140.9-173.5-47.4-87.5000110.8L132 A135 L136 L139 I236 I237 N239 L240 G241 F242 I373 N374 I375L132-F260 HydrophobicContact CD1-CB 4.09Å; L132-F260 HydrophobicContact CD1-CD1 4.24Å; L132-F260 HydrophobicContact CD1-CD2 3.75Å; L132-F260 HydrophobicContact CD1-CE2 4.23Å; L132-F260 HydrophobicContact CD1-CG 3.75Å; L132-F260 HydrophobicContact CD2-CD2 4.41Å; A135-F260 HydrophobicContact CB-CD1 4.21Å; A135-F260 HydrophobicContact CB-CE1 4.03Å; L136-F260 HydrophobicContact CB-CZ 4.28Å; L136-F260 HydrophobicContact CD1-CE2 3.98Å; L136-F260 HydrophobicContact CD1-CZ 3.99Å; L139-F260 HydrophobicContact CB-CE1 4.12Å; L139-F260 HydrophobicContact CB-CZ 4.01Å; L139-F260 HydrophobicContact CD2-CE1 3.72Å; L139-F260 HydrophobicContact CD2-CE2 4.2Å; L139-F260 HydrophobicContact CD2-CZ 3.38Å; L139-F260 HydrophobicContact CG-CE1 4.49Å; L139-F260 HydrophobicContact CG-CZ 4.32Å; I236-F260 HydrophobicContact CG2-CE2 4.16Å; I237-F260 WeakPolarHBondContact O-CD2 3.36Å; N239-F260 WeakPolarHBondContact O-CB 3.2Å; L240-F260 CarbonylContact C-O 3.46Å; G241-F260 PolarHBondContact N-O 2.88Å; F242-F260 WeakPolarHBondContact CB-O 3.49Å; F242-F260 PolarHBondContact N-O 3.32Å; F260-I373 HydrophobicContact CB-CG2 3.66Å; F260-I373 HydrophobicContact CD1-CG2 3.93Å; F260-I373 HydrophobicContact CG-CG2 4.22Å; F260-N374 WeakPolarHBondContact CA-O 3.45Å; F260-I375 HydrophobicContact CD1-CG1 4.41Å; F260-I375 HydrophobicContact CE1-CG1 4.46Å
261Q94.9Very high92.6Very high4 Ų441.1 Ų41.12%0.01924%0.235CC..EExtended strand (participates in β ladder)trans-128.8123.3179.3-169.570.118.700109L240 T243 V263 N374 M376L240-Q261 WeakPolarHBondContact O-CA 3.28Å; T243-Q261 PolarHBondContact OG1-NE2 3.31Å; T243-Q261 PolarHBondContact OG1-OE1 2.98Å; Q261-V263 WeakPolarHBondContact CG-O 3.47Å; Q261-V263 PolarHBondContact NE2-O 3.09Å; Q261-N374 HydrophobicContact CB-CB 4.38Å; Q261-N374 PolarHBondContact N-O 3.47Å; Q261-N374 WeakPolarHBondContact O-CB 3.5Å; Q261-N374 PolarHBondContact O-N 2.92Å; Q261-M376 HydrophobicContact CB-CG 3.55Å; Q261-M376 HydrophobicContact CB-SD 4.34Å
262I95.6Very high92.8Very high6 Ų646.8 Ų46.83%0.03126%0.259CS..SBendtrans-91.4-31.3175.1-169.559.2000112.7P130 L240 T372 I373P130-I262 HydrophobicContact CG-CD1 4.14Å; L240-I262 HydrophobicContact CB-CB 4.2Å; L240-I262 HydrophobicContact CB-CG2 3.97Å; L240-I262 HydrophobicContact CD2-CB 4.43Å; L240-I262 PolarHBondContact O-N 2.93Å; I262-T372 WeakPolarHBondContact CD1-O 3.46Å; I262-I373 HydrophobicContact CD1-CG1 4.34Å
263V95.4Very high93.2Very high1 Ų140 Ų401%0.00623%0.23CC..SBendtrans-90.9111.8178.8-1770000108.8Q261 V270 I293 A298Q261-V263 WeakPolarHBondContact CG-O 3.47Å; Q261-V263 PolarHBondContact NE2-O 3.09Å; V263-V270 HydrophobicContact CG1-CG1 3.77Å; V263-V270 HydrophobicContact CG1-CG2 4.37Å; V263-I293 HydrophobicContact CG1-CG2 4.45Å; V263-A298 HydrophobicContact CG2-CB 3.53Å
264D93.3Very high93.5Very high40 Ų4040.1 Ų40.121%0.21423%0.225CC..  trans-88.6108.3176.8-157.5-26.5000110.2D266 D267 V270 N374 K385D264-D266 PolarHBondContact O-N 2.91Å; D264-D266 PolarHBondContact OD1-N 3.15Å; D264-D267 PolarHBondContact O-N 2.84Å; D264-V270 VanDerWaalsContact O-CB 3.3Å; D264-V270 WeakPolarHBondContact O-CB 3.25Å; D264-V270 VanDerWaalsContact O-CG2 3.32Å; D264-V270 WeakPolarHBondContact O-CG2 3.34Å; D264-N374 VanDerWaalsContact CG-ND2 3.3Å; D264-N374 PolarHBondContact OD2-ND2 2.97Å; D264-K385 IonicContact OD2-NZ 3.01Å; D264-K385 PolarHBondContact OD2-NZ 2.84Å
265Y91.7Very high93.8Very high61 Ų6144.8 Ų44.824%0.23924%0.236CC..THydrogen-bonded Turntrans-71.7-14.2-178.6-69.3-81.2000113.3D267 V270 I274 T292 I293Y265-D267 VanDerWaalsContact C-N 3.33Å; Y265-V270 HydrophobicContact CD1-CG1 4.15Å; Y265-I274 HydrophobicContact CD1-CD1 4.34Å; Y265-I274 HydrophobicContact CD1-CG1 4.09Å; Y265-I274 HydrophobicContact CE1-CD1 3.89Å; Y265-I274 HydrophobicContact CE1-CG1 4.15Å; Y265-T292 HydrophobicContact CE1-CG2 4.42Å; Y265-T292 WeakPolarHBondContact OH-CA 3.34Å; Y265-T292 WeakPolarHBondContact OH-CB 3.45Å; Y265-I293 PolarHBondContact OH-N 3.32Å; Y265-I293 PolarHBondContact OH-O 2.78Å
266D89.6Confident93.9Very high143 Ų14348.9 Ų48.977%0.76525%0.249SC*.THydrogen-bonded Turntrans-81.4-14.4176.2-63.4-31000112.1D264D264-D266 PolarHBondContact O-N 2.91Å; D264-D266 PolarHBondContact OD1-N 3.15Å
267D92.2Very high94Very high61 Ų6145.3 Ų45.333%0.32623%0.229SC..SBendtrans-70.7136.1176.9-174.713000111.4D264 Y265 L269 V270 S271D264-D267 PolarHBondContact O-N 2.84Å; Y265-D267 VanDerWaalsContact C-N 3.33Å; D267-L269 VanDerWaalsContact C-N 3.25Å; D267-L269 PolarHBondContact O-N 2.59Å; D267-L269 PolarHBondContact OD1-N 3.27Å; D267-V270 HydrophobicContact CB-CB 4.39Å; D267-V270 HydrophobicContact CB-CG2 4.12Å; D267-V270 PolarHBondContact O-N 3.03Å; D267-V270 VanDerWaalsContact O-N 3.15Å; D267-S271 WeakPolarHBondContact O-CB 3.44Å; D267-S271 PolarHBondContact O-N 3.08Å
268S93.8Very high93.9Very high80 Ų8047.1 Ų47.156%0.55924%0.242SC*.Hα-helixtrans-58.3-34-179.967.60000113.6K272S268-K272 WeakPolarHBondContact O-CG 3.47Å; S268-K272 PolarHBondContact O-N 2.94Å
269L94Very high93.8Very high59 Ų5952.1 Ų52.131%0.30927%0.273SS..Hα-helixtrans-68.6-46.6177.4-172.1159000110.2D267 K272 F273 L356D267-L269 VanDerWaalsContact C-N 3.25Å; D267-L269 PolarHBondContact O-N 2.59Å; D267-L269 PolarHBondContact OD1-N 3.27Å; L269-K272 PolarHBondContact O-N 3.14Å; L269-F273 PolarHBondContact O-N 3.24Å; L269-L356 HydrophobicContact CD2-CD2 3.71Å
270V94.2Very high93.7Very high1 Ų153.3 Ų53.31%0.00628%0.279CS..Hα-helixtrans-65.7-43.2178.2-178.90000110.5V263 D264 Y265 D267 K272 F273 I274 L356V263-V270 HydrophobicContact CG1-CG1 3.77Å; V263-V270 HydrophobicContact CG1-CG2 4.37Å; D264-V270 VanDerWaalsContact O-CB 3.3Å; D264-V270 WeakPolarHBondContact O-CB 3.25Å; D264-V270 VanDerWaalsContact O-CG2 3.32Å; D264-V270 WeakPolarHBondContact O-CG2 3.34Å; Y265-V270 HydrophobicContact CD1-CG1 4.15Å; D267-V270 HydrophobicContact CB-CB 4.39Å; D267-V270 HydrophobicContact CB-CG2 4.12Å; D267-V270 PolarHBondContact O-N 3.03Å; D267-V270 VanDerWaalsContact O-N 3.15Å; V270-K272 PolarHBondContact O-N 3.5Å; V270-F273 CarbonylContact O-C 3.51Å; V270-F273 WeakPolarHBondContact O-CA 3.47Å; V270-F273 WeakPolarHBondContact O-CB 3.19Å; V270-F273 PolarHBondContact O-N 3.37Å; V270-F273 VanDerWaalsContact O-N 3.07Å; V270-I274 HydrophobicContact CG1-CG1 4.17Å; V270-I274 WeakPolarHBondContact O-CG1 3.35Å; V270-I274 PolarHBondContact O-N 3.26Å; V270-L356 HydrophobicContact CB-CD2 4.42Å; V270-L356 HydrophobicContact CG2-CD2 3.94Å
271S93.2Very high93.5Very high69 Ų6959 Ų5948%0.48331%0.306SS..Hα-helixtrans-57.8-46177.6-174.10000112.4D267 F273 I274 E275D267-S271 WeakPolarHBondContact O-CB 3.44Å; D267-S271 PolarHBondContact O-N 3.08Å; S271-F273 VanDerWaalsContact C-N 3.33Å; S271-F273 PolarHBondContact O-N 3.25Å; S271-I274 PolarHBondContact O-N 3.09Å; S271-E275 PolarHBondContact O-N 3.41Å
272K94.1Very high93.3Very high151 Ų15164.7 Ų64.766%0.65733%0.332SS*.Hα-helixtrans-62.6-39.1173.6-73.9175.3-177.7174.60112.7S268 L269 V270 R276S268-K272 WeakPolarHBondContact O-CG 3.47Å; S268-K272 PolarHBondContact O-N 2.94Å; L269-K272 PolarHBondContact O-N 3.14Å; V270-K272 PolarHBondContact O-N 3.5Å; K272-R276 PolarHBondContact O-N 2.99Å
273F95.1Very high93Very high12 Ų1273.4 Ų73.45%0.05337%0.37CS..Hα-helixtrans-63.7-43.6175.4176.1-89.3000111V46 L269 V270 S271 R276 W277 I293 Y301 L356V46-F273 HydrophobicContact CG1-CE2 4.19Å; L269-F273 PolarHBondContact O-N 3.24Å; V270-F273 CarbonylContact O-C 3.51Å; V270-F273 WeakPolarHBondContact O-CA 3.47Å; V270-F273 WeakPolarHBondContact O-CB 3.19Å; V270-F273 PolarHBondContact O-N 3.37Å; V270-F273 VanDerWaalsContact O-N 3.07Å; S271-F273 VanDerWaalsContact C-N 3.33Å; S271-F273 PolarHBondContact O-N 3.25Å; F273-R276 PolarHBondContact O-N 2.8Å; F273-W277 HydrophobicContact CD1-CB 4.27Å; F273-W277 HydrophobicContact CE1-CB 3.94Å; F273-W277 HydrophobicContact CE1-CD2 4.09Å; F273-W277 HydrophobicContact CE1-CE3 4.07Å; F273-W277 HydrophobicContact CE1-CG 4.05Å; F273-W277 HydrophobicContact CE2-CE3 4.49Å; F273-W277 HydrophobicContact CZ-CB 4.39Å; F273-W277 HydrophobicContact CZ-CD2 4.12Å; F273-W277 AromaticContact CZ-CE3 3.61Å; F273-W277 HydrophobicContact CZ-CE3 3.61Å; F273-W277 HydrophobicContact CZ-CG 4.46Å; F273-W277 HydrophobicContact CZ-CZ3 4.25Å; F273-W277 WeakPolarHBondContact O-CB 2.87Å; F273-W277 PolarHBondContact O-N 2.88Å; F273-I293 HydrophobicContact CE1-CD1 3.49Å; F273-I293 VanDerWaalsContact CE1-CD1 3.49Å; F273-I293 HydrophobicContact CE1-CG2 4.48Å; F273-I293 HydrophobicContact CZ-CD1 3.69Å; F273-Y301 HydrophobicContact CD2-CD2 4.36Å; F273-Y301 HydrophobicContact CD2-CE1 4.2Å; F273-Y301 AromaticContact CD2-CE2 3.9Å; F273-Y301 HydrophobicContact CD2-CE2 3.9Å; F273-Y301 AromaticContact CD2-CZ 3.78Å; F273-Y301 HydrophobicContact CE2-CD1 4.43Å; F273-Y301 AromaticContact CE2-CD2 3.63Å; F273-Y301 HydrophobicContact CE2-CD2 3.63Å; F273-Y301 HydrophobicContact CE2-CE1 4.34Å; F273-Y301 AromaticContact CE2-CE2 3.55Å; F273-Y301 HydrophobicContact CE2-CE2 3.55Å; F273-Y301 HydrophobicContact CE2-CG 4.06Å; F273-Y301 AromaticContact CE2-CZ 3.9Å; F273-Y301 HydrophobicContact CZ-CD2 4.42Å; F273-L356 HydrophobicContact CB-CD2 3.79Å; F273-L356 HydrophobicContact CD1-CD1 4.04Å; F273-L356 HydrophobicContact CD1-CD2 4.06Å; F273-L356 HydrophobicContact CD2-CD1 4.26Å; F273-L356 HydrophobicContact CD2-CD2 4.33Å; F273-L356 HydrophobicContact CE1-CD1 4.01Å; F273-L356 HydrophobicContact CE2-CD1 4.22Å; F273-L356 HydrophobicContact CG-CD1 4.18Å; F273-L356 HydrophobicContact CG-CD2 3.79Å; F273-L356 HydrophobicContact CZ-CD1 4.09Å
274I94Very high92.8Very high24 Ų2478.1 Ų78.112%0.12339%0.392CS..Hα-helixtrans-66.5-40.7179-67.3-61.1000112Y265 V270 S271 R276 W277 S278 T291 I293Y265-I274 HydrophobicContact CD1-CD1 4.34Å; Y265-I274 HydrophobicContact CD1-CG1 4.09Å; Y265-I274 HydrophobicContact CE1-CD1 3.89Å; Y265-I274 HydrophobicContact CE1-CG1 4.15Å; V270-I274 HydrophobicContact CG1-CG1 4.17Å; V270-I274 WeakPolarHBondContact O-CG1 3.35Å; V270-I274 PolarHBondContact O-N 3.26Å; S271-I274 PolarHBondContact O-N 3.09Å; I274-R276 VanDerWaalsContact C-N 3.29Å; I274-R276 PolarHBondContact O-N 3.45Å; I274-W277 PolarHBondContact O-N 3.05Å; I274-S278 VanDerWaalsContact O-CB 3.31Å; I274-S278 WeakPolarHBondContact O-CB 3.21Å; I274-S278 PolarHBondContact O-N 3.45Å; I274-S278 PolarHBondContact O-OG 2.92Å; I274-T291 WeakPolarHBondContact CG2-O 3.15Å; I274-I293 HydrophobicContact CD1-CG2 4.19Å
275E93.4Very high92.8Very high138 Ų13877.4 Ų77.465%0.64539%0.386SS*.Hα-helixtrans-54.9-48.3173.1-173.9-178.5-175.500110.2S271 S278 T279S271-E275 PolarHBondContact O-N 3.41Å; E275-S278 PolarHBondContact O-OG 3.08Å; E275-T279 WeakPolarHBondContact O-CG2 3.17Å
276R93.3Very high92.8Very high99 Ų9977 Ų7737%0.37439%0.392SS..Hα-helixtrans-66.8-47.4175.5-176.4173.1180175.2-4.3112.7K272 F273 I274 S278 T279 L280K272-R276 PolarHBondContact O-N 2.99Å; F273-R276 PolarHBondContact O-N 2.8Å; I274-R276 VanDerWaalsContact C-N 3.29Å; I274-R276 PolarHBondContact O-N 3.45Å; R276-S278 VanDerWaalsContact C-N 3.3Å; R276-S278 PolarHBondContact O-N 3.16Å; R276-T279 PolarHBondContact O-N 3.48Å; R276-T279 PolarHBondContact O-OG1 3.04Å; R276-L280 PolarHBondContact O-N 3.38Å
277W94.3Very high92.6Very high1 Ų171.7 Ų71.70%0.00437%0.37CS..Hα-helixtrans-59.8-40-175.7179.8-99.5000112.3Q39 A43 V46 F273 I274 T279 L280 A288 H289 T290 I293Q39-W277 HydrophobicContact CG-CH2 4.17Å; Q39-W277 HydrophobicContact CG-CZ2 3.8Å; A43-W277 HydrophobicContact CB-CH2 4.29Å; A43-W277 HydrophobicContact CB-CZ3 4.3Å; V46-W277 HydrophobicContact CG2-CE3 4.45Å; V46-W277 HydrophobicContact CG2-CZ3 4.08Å; F273-W277 HydrophobicContact CD1-CB 4.27Å; F273-W277 HydrophobicContact CE1-CB 3.94Å; F273-W277 HydrophobicContact CE1-CD2 4.09Å; F273-W277 HydrophobicContact CE1-CE3 4.07Å; F273-W277 HydrophobicContact CE1-CG 4.05Å; F273-W277 HydrophobicContact CE2-CE3 4.49Å; F273-W277 HydrophobicContact CZ-CB 4.39Å; F273-W277 HydrophobicContact CZ-CD2 4.12Å; F273-W277 AromaticContact CZ-CE3 3.61Å; F273-W277 HydrophobicContact CZ-CE3 3.61Å; F273-W277 HydrophobicContact CZ-CG 4.46Å; F273-W277 HydrophobicContact CZ-CZ3 4.25Å; F273-W277 WeakPolarHBondContact O-CB 2.87Å; F273-W277 PolarHBondContact O-N 2.88Å; I274-W277 PolarHBondContact O-N 3.05Å; W277-T279 VanDerWaalsContact C-N 3.28Å; W277-T279 PolarHBondContact O-N 3.37Å; W277-L280 HydrophobicContact CE3-CD1 3.92Å; W277-L280 HydrophobicContact CZ3-CD1 4.37Å; W277-L280 PolarHBondContact O-N 2.92Å; W277-A288 HydrophobicContact CD2-CB 4.26Å; W277-A288 HydrophobicContact CE3-CB 4.46Å; W277-A288 HydrophobicContact CH2-CB 4.01Å; W277-A288 HydrophobicContact CZ2-CB 3.78Å; W277-A288 HydrophobicContact CZ3-CB 4.35Å; W277-H289 PolarHBondContact O-N 2.9Å; W277-T290 VanDerWaalsContact CD1-O 3.3Å; W277-T290 PolarHBondContact NE1-OG1 2.86Å; W277-I293 HydrophobicContact CH2-CD1 4.46Å; W277-I293 HydrophobicContact CZ2-CD1 4.39Å
278S92.8Very high92.2Very high39 Ų3968.8 Ų68.827%0.27336%0.355SS..Hα-helixtrans-68.7-24.6176.766.20000113.1I274 E275 R276 H289I274-S278 VanDerWaalsContact O-CB 3.31Å; I274-S278 WeakPolarHBondContact O-CB 3.21Å; I274-S278 PolarHBondContact O-N 3.45Å; I274-S278 PolarHBondContact O-OG 2.92Å; E275-S278 PolarHBondContact O-OG 3.08Å; R276-S278 VanDerWaalsContact C-N 3.3Å; R276-S278 PolarHBondContact O-N 3.16Å; S278-H289 PolarHBondContact O-CE1 3.4Å; S278-H289 PolarHBondContact O-ND1 3.38Å
279T93.5Very high92Very high105 Ų10570.5 Ų70.564%0.64435%0.354SS*.Hα-helixtrans-86.7-8.8177.862.60000114.7E275 R276 W277E275-T279 WeakPolarHBondContact O-CG2 3.17Å; R276-T279 PolarHBondContact O-N 3.48Å; R276-T279 PolarHBondContact O-OG1 3.04Å; W277-T279 VanDerWaalsContact C-N 3.28Å; W277-T279 PolarHBondContact O-N 3.37Å
280L92.9Very high91.7Very high26 Ų2670.2 Ų70.214%0.13635%0.354CS..SBendtrans-68.9143.7179-64175.5000111V46 R276 W277 E282 Y285 A288V46-L280 HydrophobicContact CG2-CD1 3.66Å; R276-L280 PolarHBondContact O-N 3.38Å; W277-L280 HydrophobicContact CE3-CD1 3.92Å; W277-L280 HydrophobicContact CZ3-CD1 4.37Å; W277-L280 PolarHBondContact O-N 2.92Å; L280-E282 PolarHBondContact O-N 3.37Å; L280-Y285 HydrophobicContact CB-CD2 4.22Å; L280-Y285 HydrophobicContact CD1-CD2 4.37Å; L280-Y285 HydrophobicContact CD1-CG 4.4Å; L280-Y285 HydrophobicContact CD2-CD2 4.35Å; L280-Y285 HydrophobicContact CD2-CE2 4.29Å; L280-A288 HydrophobicContact CB-CB 4.05Å; L280-A288 HydrophobicContact CD1-CB 4.3Å
281E91.8Very high91.4Very high120 Ų12075.4 Ų75.456%0.56139%0.386SS*.  trans-72.9121.5176.7-169.3-177.516700110.3K283 E284 Y285E281-K283 HydrophobicContact CG-CB 4.1Å; E281-K283 PolarHBondContact O-N 3.17Å; E281-K283 VanDerWaalsContact O-N 3.15Å; E281-E284 PolarHBondContact O-N 2.88Å; E281-Y285 PolarHBondContact O-N 3.36Å
282E90.5Very high91.3Very high123 Ų12374.7 Ų74.758%0.57538%0.379SS*.THydrogen-bonded Turntrans-58-29.7-179.4-172.3178.7-175.800112.7L280 Y285 P286 H289L280-E282 PolarHBondContact O-N 3.37Å; E282-Y285 CarbonylContact O-C 3.6Å; E282-Y285 VanDerWaalsContact O-C 3.26Å; E282-P286 WeakPolarHBondContact O-CA 3.31Å; E282-H289 HydrophobicContact CB-CB 4.24Å
283K90.3Very high91.3Very high189 Ų18967.6 Ų67.682%0.82235%0.348SS*.THydrogen-bonded Turntrans-67.5-35.6176.7-170.8179178.4-177.70112.8E281E281-K283 HydrophobicContact CG-CB 4.1Å; E281-K283 PolarHBondContact O-N 3.17Å; E281-K283 VanDerWaalsContact O-N 3.15Å
284E91.1Very high91.2Very high99 Ų9969.6 Ų69.646%0.46336%0.357SS..THydrogen-bonded Turntrans-84.4-36.1177.7-172.9177.1177.400111.7R45 E281R45-E284 PolarHBondContact NH1-O 2.82Å; R45-E284 IonicContact NH2-OE1 3.03Å; R45-E284 PolarHBondContact NH2-OE1 3.1Å; E281-E284 PolarHBondContact O-N 2.88Å
285Y92.3Very high91.2Very high25 Ų2569.6 Ų69.610%0.09836%0.355CS..SBendtrans-124.387.6-178.1-65.1-83.5000109.6R45 V46 L280 E281 E282 G287 A288R45-Y285 HydrophobicContact CB-CE1 3.85Å; V46-Y285 HydrophobicContact CG2-CD1 4Å; V46-Y285 HydrophobicContact CG2-CE1 3.78Å; L280-Y285 HydrophobicContact CB-CD2 4.22Å; L280-Y285 HydrophobicContact CD1-CD2 4.37Å; L280-Y285 HydrophobicContact CD1-CG 4.4Å; L280-Y285 HydrophobicContact CD2-CD2 4.35Å; L280-Y285 HydrophobicContact CD2-CE2 4.29Å; E281-Y285 PolarHBondContact O-N 3.36Å; E282-Y285 CarbonylContact O-C 3.6Å; E282-Y285 VanDerWaalsContact O-C 3.26Å; Y285-G287 PolarHBondContact O-N 2.99Å; Y285-A288 WeakPolarHBondContact O-CB 3.49Å; Y285-A288 PolarHBondContact O-N 2.97Å
286P91.4Very high91.3Very high54 Ų5463.8 Ų63.835%0.35133%0.33SS..THydrogen-bonded Turntrans-59.5129.9-178.623.2-34.6000111.6D38 S42 E282 A288D38-P286 HydrophobicContact CB-CB 4.14Å; D38-P286 HydrophobicContact CB-CG 3.94Å; S42-P286 VanDerWaalsContact OG-CD 3.29Å; S42-P286 WeakPolarHBondContact OG-CD 3.32Å; S42-P286 PolarHBondContact OG-O 2.76Å; E282-P286 WeakPolarHBondContact O-CA 3.31Å; P286-A288 PolarHBondContact O-N 3.37Å
287G85.9Confident91.4Very high30 Ų3059.1 Ų59.131%0.30931%0.312SS..THydrogen-bonded Turntrans74.86.2-175.500000114.7Q39 Y285Q39-G287 PolarHBondContact NE2-O 3.24Å; Y285-G287 PolarHBondContact O-N 2.99Å
288A83.4Confident91.5Very high1 Ų159.1 Ų59.11%0.00831%0.312CS..  trans-81.1179.2155.900000109.9W277 L280 Y285 P286W277-A288 HydrophobicContact CD2-CB 4.26Å; W277-A288 HydrophobicContact CE3-CB 4.46Å; W277-A288 HydrophobicContact CH2-CB 4.01Å; W277-A288 HydrophobicContact CZ2-CB 3.78Å; W277-A288 HydrophobicContact CZ3-CB 4.35Å; L280-A288 HydrophobicContact CB-CB 4.05Å; L280-A288 HydrophobicContact CD1-CB 4.3Å; Y285-A288 WeakPolarHBondContact O-CB 3.49Å; Y285-A288 PolarHBondContact O-N 2.97Å; P286-A288 PolarHBondContact O-N 3.37Å
289H89.8Confident91.7Very high116 Ų11657.2 Ų57.254%0.53730%0.299SS..SBendtrans75.324.1-171.4-155.169.6000115.2W277 S278 E282W277-H289 PolarHBondContact O-N 2.9Å; S278-H289 PolarHBondContact O-CE1 3.4Å; S278-H289 PolarHBondContact O-ND1 3.38Å; E282-H289 HydrophobicContact CB-CB 4.24Å
290T88.8Confident91.9Very high53 Ų5352.2 Ų52.233%0.32527%0.268SS..  trans-111.9155175.153.90000111.1W277 T292W277-T290 VanDerWaalsContact CD1-O 3.3Å; W277-T290 PolarHBondContact NE1-OG1 2.86Å; T290-T292 WeakPolarHBondContact CB-O 3.39Å; T290-T292 PolarHBondContact O-N 3.41Å; T290-T292 PolarHBondContact OG1-O 2.76Å
291T87.4Confident92.1Very high109 Ų10951.8 Ų51.867%0.66927%0.265SS*.SBendtrans-78.5-11.4174.2520000113I274I274-T291 WeakPolarHBondContact CG2-O 3.15Å
292T91.1Very high92.3Very high55 Ų5546 Ų4634%0.33724%0.238SC..  trans-122.7158.3178.456.90000110.7Y265 T290Y265-T292 HydrophobicContact CE1-CG2 4.42Å; Y265-T292 WeakPolarHBondContact OH-CA 3.34Å; Y265-T292 WeakPolarHBondContact OH-CB 3.45Å; T290-T292 WeakPolarHBondContact CB-O 3.39Å; T290-T292 PolarHBondContact O-N 3.41Å; T290-T292 PolarHBondContact OG1-O 2.76Å
293I93.5Very high92.6Very high1 Ų140.2 Ų40.21%0.00521%0.211CC..  trans-128.8140.2175-176165.5000109.2V263 Y265 F273 I274 W277 A298V263-I293 HydrophobicContact CG1-CG2 4.45Å; Y265-I293 PolarHBondContact OH-N 3.32Å; Y265-I293 PolarHBondContact OH-O 2.78Å; F273-I293 HydrophobicContact CE1-CD1 3.49Å; F273-I293 VanDerWaalsContact CE1-CD1 3.49Å; F273-I293 HydrophobicContact CE1-CG2 4.48Å; F273-I293 HydrophobicContact CZ-CD1 3.69Å; I274-I293 HydrophobicContact CD1-CG2 4.19Å; W277-I293 HydrophobicContact CH2-CD1 4.46Å; W277-I293 HydrophobicContact CZ2-CD1 4.39Å; I293-A298 HydrophobicContact CG2-CB 4.42Å
294K93.8Very high92.9Very high55 Ų5531.2 Ų31.224%0.23917%0.172CC..  trans-61.9143.2173.7-72.9174.3-158.3170.40110.6D244 T296 S297 A298D244-K294 WeakPolarHBondContact OD2-CA 3.26Å; K294-T296 PolarHBondContact O-N 2.83Å; K294-S297 WeakPolarHBondContact O-CB 3.41Å; K294-S297 PolarHBondContact O-N 3.25Å; K294-A298 PolarHBondContact O-N 3.42Å
295Y94.8Very high93.2Very high23 Ų2328.1 Ų28.19%0.0916%0.157CC..Hα-helixtrans-58.8-33.3176.680.5-85.2000112.8R129 L240 D244 S297 A298 L299R129-Y295 PolarHBondContact NH1-OH 2.9Å; R129-Y295 PolarHBondContact NH2-OH 3.18Å; L240-Y295 HydrophobicContact CB-CD2 3.77Å; L240-Y295 HydrophobicContact CB-CE2 4.13Å; L240-Y295 HydrophobicContact CB-CG 3.98Å; L240-Y295 HydrophobicContact CD1-CD2 4.23Å; L240-Y295 HydrophobicContact CD1-CE2 4.31Å; D244-Y295 WeakPolarHBondContact OD2-CD1 3.43Å; D244-Y295 PolarHBondContact OD2-N 3.43Å; Y295-S297 VanDerWaalsContact C-N 3.34Å; Y295-S297 PolarHBondContact O-N 2.92Å; Y295-A298 PolarHBondContact O-N 3.01Å; Y295-L299 HydrophobicContact CD2-CD1 4.13Å; Y295-L299 VanDerWaalsContact O-CG 3.27Å; Y295-L299 WeakPolarHBondContact O-CG 3.5Å; Y295-L299 PolarHBondContact O-N 3.09Å
296T95.1Very high93.4Very high17 Ų1726.9 Ų26.910%0.10415%0.153CC..Hα-helixtrans-62.6-39.9174.645.80000112.4E40 K294 T300E40-T296 WeakPolarHBondContact OE1-CB 3.42Å; E40-T296 PolarHBondContact OE1-OG1 3.05Å; K294-T296 PolarHBondContact O-N 2.83Å; T296-T300 WeakPolarHBondContact O-CB 3.46Å; T296-T300 PolarHBondContact O-N 3.4Å; T296-T300 PolarHBondContact O-OG1 3.25Å
297S95.6Very high93.6Very high0 Ų024.4 Ų24.40%014%0.136CC..Hα-helixtrans-72.6-39.1177.6-63.90000111.2Q39 E40 A43 K294 Y295 T300 Y301Q39-S297 WeakPolarHBondContact CG-OG 3.47Å; E40-S297 WeakPolarHBondContact CA-OG 3.45Å; E40-S297 WeakPolarHBondContact CG-OG 3.41Å; E40-S297 PolarHBondContact N-OG 3.47Å; A43-S297 WeakPolarHBondContact CB-O 3.44Å; K294-S297 WeakPolarHBondContact O-CB 3.41Å; K294-S297 PolarHBondContact O-N 3.25Å; Y295-S297 VanDerWaalsContact C-N 3.34Å; Y295-S297 PolarHBondContact O-N 2.92Å; S297-T300 WeakPolarHBondContact O-CB 3.34Å; S297-T300 PolarHBondContact O-N 3.07Å; S297-T300 VanDerWaalsContact O-N 3.16Å; S297-Y301 PolarHBondContact O-N 2.81Å
298A96.3Very high94Very high1 Ų123.3 Ų23.31%0.00812%0.123CC..Hα-helixtrans-61.3-45.8173.400000112V263 I293 K294 Y295 T300 Y301 D302 L356V263-A298 HydrophobicContact CG2-CB 3.53Å; I293-A298 HydrophobicContact CG2-CB 4.42Å; K294-A298 PolarHBondContact O-N 3.42Å; Y295-A298 PolarHBondContact O-N 3.01Å; A298-T300 VanDerWaalsContact C-N 3.25Å; A298-T300 PolarHBondContact O-N 3.07Å; A298-Y301 PolarHBondContact O-N 2.73Å; A298-D302 PolarHBondContact O-N 3.16Å; A298-L356 HydrophobicContact CB-CB 4.03Å; A298-L356 HydrophobicContact CB-CD1 3.97Å
299L97.1Very high94.5Very high0 Ų024.9 Ų24.90%013%0.131CC..Hα-helixtrans-63.7-30.7174.5-68.6177.9000112.8P114 M128 R129 Y295 A303P114-L299 HydrophobicContact CB-CB 3.73Å; P114-L299 HydrophobicContact CB-CD1 4.37Å; M128-L299 HydrophobicContact CB-CB 4.17Å; M128-L299 HydrophobicContact CB-CD2 4.25Å; M128-L299 WeakPolarHBondContact O-CD2 3.49Å; R129-L299 HydrophobicContact CB-CD1 3.98Å; R129-L299 HydrophobicContact CG-CD1 4.17Å; Y295-L299 HydrophobicContact CD2-CD1 4.13Å; Y295-L299 VanDerWaalsContact O-CG 3.27Å; Y295-L299 WeakPolarHBondContact O-CG 3.5Å; Y295-L299 PolarHBondContact O-N 3.09Å; L299-A303 WeakPolarHBondContact O-CB 3.29Å; L299-A303 PolarHBondContact O-N 2.84Å
300T97.2Very high94.7Very high0 Ų019.5 Ų19.50%011%0.106CC..Hα-helixtrans-69.8-41.9176.1-61.60000111.5E40 F44 F89 T296 S297 A298 A303 V304E40-T300 VanDerWaalsContact O-CG2 3.29Å; E40-T300 WeakPolarHBondContact O-CG2 3.27Å; F44-T300 HydrophobicContact CB-CG2 3.67Å; F44-T300 HydrophobicContact CD2-CG2 4.19Å; F44-T300 HydrophobicContact CG-CG2 4.43Å; F89-T300 HydrophobicContact CE1-CG2 3.72Å; F89-T300 HydrophobicContact CZ-CG2 3.49Å; F89-T300 VanDerWaalsContact CZ-CG2 3.49Å; T296-T300 WeakPolarHBondContact O-CB 3.46Å; T296-T300 PolarHBondContact O-N 3.4Å; T296-T300 PolarHBondContact O-OG1 3.25Å; S297-T300 WeakPolarHBondContact O-CB 3.34Å; S297-T300 PolarHBondContact O-N 3.07Å; S297-T300 VanDerWaalsContact O-N 3.16Å; A298-T300 VanDerWaalsContact C-N 3.25Å; A298-T300 PolarHBondContact O-N 3.07Å; T300-A303 WeakPolarHBondContact O-CB 3.31Å; T300-A303 PolarHBondContact O-N 2.8Å; T300-V304 PolarHBondContact O-N 3.04Å
301Y96.8Very high95Very high16 Ų1617.2 Ų17.26%0.0639%0.092CC..Hα-helixtrans-61.5-46.6173.2174.3-91.8000111.5V46 Q50 F51 F273 S297 A298 A303 V304 Q305 L356V46-Y301 HydrophobicContact CG1-CD2 4.42Å; V46-Y301 HydrophobicContact CG1-CE2 4.21Å; Q50-Y301 HydrophobicContact CB-CE2 4.27Å; Q50-Y301 HydrophobicContact CG-CE2 4.39Å; Q50-Y301 WeakPolarHBondContact CG-OH 3.31Å; F51-Y301 HydrophobicContact CE2-CD1 4.18Å; F51-Y301 HydrophobicContact CE2-CD2 4.26Å; F51-Y301 AromaticContact CE2-CE1 3.76Å; F51-Y301 HydrophobicContact CE2-CE1 3.76Å; F51-Y301 AromaticContact CE2-CE2 3.83Å; F51-Y301 HydrophobicContact CE2-CE2 3.83Å; F51-Y301 HydrophobicContact CE2-CG 4.44Å; F51-Y301 AromaticContact CE2-CZ 3.58Å; F51-Y301 HydrophobicContact CZ-CD1 4.36Å; F51-Y301 AromaticContact CZ-CE1 3.58Å; F51-Y301 HydrophobicContact CZ-CE1 3.58Å; F51-Y301 HydrophobicContact CZ-CE2 4.23Å; F51-Y301 AromaticContact CZ-CZ 3.52Å; F273-Y301 HydrophobicContact CD2-CD2 4.36Å; F273-Y301 HydrophobicContact CD2-CE1 4.2Å; F273-Y301 AromaticContact CD2-CE2 3.9Å; F273-Y301 HydrophobicContact CD2-CE2 3.9Å; F273-Y301 AromaticContact CD2-CZ 3.78Å; F273-Y301 HydrophobicContact CE2-CD1 4.43Å; F273-Y301 AromaticContact CE2-CD2 3.63Å; F273-Y301 HydrophobicContact CE2-CD2 3.63Å; F273-Y301 HydrophobicContact CE2-CE1 4.34Å; F273-Y301 AromaticContact CE2-CE2 3.55Å; F273-Y301 HydrophobicContact CE2-CE2 3.55Å; F273-Y301 HydrophobicContact CE2-CG 4.06Å; F273-Y301 AromaticContact CE2-CZ 3.9Å; F273-Y301 HydrophobicContact CZ-CD2 4.42Å; S297-Y301 PolarHBondContact O-N 2.81Å; A298-Y301 PolarHBondContact O-N 2.73Å; Y301-A303 VanDerWaalsContact C-N 3.28Å; Y301-A303 PolarHBondContact O-N 3.37Å; Y301-V304 PolarHBondContact O-N 2.78Å; Y301-Q305 PolarHBondContact O-N 2.9Å; Y301-L356 HydrophobicContact CD1-CD1 3.47Å; Y301-L356 VanDerWaalsContact CD1-CD1 3.47Å; Y301-L356 HydrophobicContact CD1-CG 3.72Å; Y301-L356 HydrophobicContact CE1-CD1 4.06Å; Y301-L356 HydrophobicContact CE1-CD2 4.5Å; Y301-L356 HydrophobicContact CE1-CG 3.99Å; Y301-L356 HydrophobicContact CG-CD1 3.94Å
302D97.1Very high95.2Very high0 Ų015.5 Ų15.50%07%0.073CC..Hα-helixtrans-61.9-34.6175.7-74.8-2.5000112.4M128 A298 V304 Q305 V306 G355 L356 S357 I360M128-D302 HydrophobicContact CE-CB 3.75Å; A298-D302 PolarHBondContact O-N 3.16Å; D302-V304 VanDerWaalsContact C-N 3.3Å; D302-V304 PolarHBondContact O-N 2.94Å; D302-Q305 VanDerWaalsContact O-CB 3.31Å; D302-Q305 WeakPolarHBondContact O-CB 3.36Å; D302-Q305 PolarHBondContact O-N 3.31Å; D302-Q305 VanDerWaalsContact O-N 3.17Å; D302-V306 WeakPolarHBondContact O-CG2 3.14Å; D302-V306 PolarHBondContact O-N 2.67Å; D302-G355 WeakPolarHBondContact OD1-CA 3.23Å; D302-L356 PolarHBondContact OD1-N 3.46Å; D302-L356 PolarHBondContact OD2-N 3.37Å; D302-S357 VanDerWaalsContact OD2-CB 3.29Å; D302-S357 WeakPolarHBondContact OD2-CB 3.37Å; D302-S357 PolarHBondContact OD2-N 3.44Å; D302-S357 PolarHBondContact OD2-OG 3.01Å; D302-I360 HydrophobicContact CB-CD1 3.64Å
303A96.9Very high95.3Very high0 Ų014.6 Ų14.60%07%0.066CC..Hα-helixtrans-61.8-39.2177.500000111.8F89 I112 M128 L299 T300 Y301 Q305 V306 M307F89-A303 HydrophobicContact CD2-CB 3.8Å; F89-A303 HydrophobicContact CE2-CB 3.4Å; F89-A303 HydrophobicContact CZ-CB 4.35Å; I112-A303 HydrophobicContact CG2-CB 4.01Å; M128-A303 HydrophobicContact CE-CB 4.24Å; M128-A303 HydrophobicContact CG-CB 3.97Å; M128-A303 HydrophobicContact SD-CB 4.19Å; L299-A303 WeakPolarHBondContact O-CB 3.29Å; L299-A303 PolarHBondContact O-N 2.84Å; T300-A303 WeakPolarHBondContact O-CB 3.31Å; T300-A303 PolarHBondContact O-N 2.8Å; Y301-A303 VanDerWaalsContact C-N 3.28Å; Y301-A303 PolarHBondContact O-N 3.37Å; A303-Q305 VanDerWaalsContact C-N 3.31Å; A303-Q305 PolarHBondContact O-N 2.8Å; A303-V306 PolarHBondContact O-N 2.85Å; A303-M307 WeakPolarHBondContact O-CB 3.28Å; A303-M307 VanDerWaalsContact O-CG 3.26Å; A303-M307 WeakPolarHBondContact O-CG 3.41Å; A303-M307 PolarHBondContact O-N 2.92Å
304V96.5Very high95.2Very high1 Ų114.7 Ų14.71%0.0067%0.067CC..Hα-helixtrans-65.9-37176.5-177.70000111.1F44 M48 F51 T300 Y301 D302 M307 T308F44-V304 HydrophobicContact CD2-CG2 3.44Å; F44-V304 VanDerWaalsContact CD2-CG2 3.44Å; F44-V304 HydrophobicContact CE2-CG2 3.65Å; F44-V304 HydrophobicContact CG-CG2 4.26Å; M48-V304 HydrophobicContact CG-CG1 4.17Å; M48-V304 HydrophobicContact SD-CG1 3.89Å; F51-V304 HydrophobicContact CD2-CB 4.35Å; F51-V304 HydrophobicContact CD2-CG1 4.2Å; T300-V304 PolarHBondContact O-N 3.04Å; Y301-V304 PolarHBondContact O-N 2.78Å; D302-V304 VanDerWaalsContact C-N 3.3Å; D302-V304 PolarHBondContact O-N 2.94Å; V304-M307 PolarHBondContact O-N 3.42Å; V304-T308 WeakPolarHBondContact O-CB 3.5Å; V304-T308 PolarHBondContact O-N 2.84Å; V304-T308 PolarHBondContact O-OG1 3.28Å
305Q96Very high95Very high33 Ų3317 Ų1715%0.1547%0.074CC..Hα-helixtrans-61.2-48.5173.8-169.5176.7-8.200111.2F51 Y301 D302 A303 T308 E309 V353 E354F51-Q305 HydrophobicContact CD1-CB 4.3Å; F51-Q305 HydrophobicContact CD1-CG 4.03Å; F51-Q305 HydrophobicContact CD2-CB 3.96Å; F51-Q305 HydrophobicContact CE1-CB 3.97Å; F51-Q305 HydrophobicContact CE1-CG 3.62Å; F51-Q305 HydrophobicContact CE2-CB 3.6Å; F51-Q305 HydrophobicContact CE2-CG 4.22Å; F51-Q305 HydrophobicContact CG-CB 4.3Å; F51-Q305 HydrophobicContact CG-CG 4.48Å; F51-Q305 HydrophobicContact CZ-CB 3.6Å; F51-Q305 HydrophobicContact CZ-CG 3.72Å; Y301-Q305 PolarHBondContact O-N 2.9Å; D302-Q305 VanDerWaalsContact O-CB 3.31Å; D302-Q305 WeakPolarHBondContact O-CB 3.36Å; D302-Q305 PolarHBondContact O-N 3.31Å; D302-Q305 VanDerWaalsContact O-N 3.17Å; A303-Q305 VanDerWaalsContact C-N 3.31Å; A303-Q305 PolarHBondContact O-N 2.8Å; Q305-T308 PolarHBondContact O-N 2.9Å; Q305-E309 PolarHBondContact O-N 3.49Å; Q305-V353 HydrophobicContact CG-CG2 4.26Å; Q305-E354 PolarHBondContact NE2-O 3.23Å; Q305-E354 PolarHBondContact OE1-O 3.19Å
306V96.4Very high94.8Very high0 Ų022.2 Ų22.20%010%0.097CC..Hα-helixtrans-61.6-45.9178.6171.40000111.3M128 D302 A303 T308 E309 A310 L348 V351 V353 I360 F362M128-V306 HydrophobicContact CE-CG2 4.04Å; M128-V306 HydrophobicContact SD-CG2 4.42Å; D302-V306 WeakPolarHBondContact O-CG2 3.14Å; D302-V306 PolarHBondContact O-N 2.67Å; A303-V306 PolarHBondContact O-N 2.85Å; V306-T308 VanDerWaalsContact C-N 3.35Å; V306-T308 PolarHBondContact O-N 2.96Å; V306-E309 PolarHBondContact O-N 3.06Å; V306-A310 WeakPolarHBondContact O-CB 3.39Å; V306-A310 PolarHBondContact O-N 2.72Å; V306-L348 HydrophobicContact CG1-CD2 4.16Å; V306-V351 HydrophobicContact CB-CG1 4.47Å; V306-V351 HydrophobicContact CG1-CB 4.2Å; V306-V351 HydrophobicContact CG1-CG1 4.19Å; V306-V351 HydrophobicContact CG1-CG2 4.37Å; V306-V351 HydrophobicContact CG2-CG1 4.36Å; V306-V353 HydrophobicContact CG2-CG2 3.94Å; V306-I360 HydrophobicContact CG2-CD1 4.23Å; V306-I360 HydrophobicContact CG2-CG2 4.06Å; V306-F362 HydrophobicContact CG1-CE2 3.87Å; V306-F362 HydrophobicContact CG1-CZ 4.28Å; V306-F362 HydrophobicContact CG2-CE2 4.33Å; V306-F362 HydrophobicContact CG2-CZ 4.41Å
307M95.2Very high94.6Very high2 Ų226.2 Ų26.21%0.0111%0.114CC..Hα-helixtrans-60.8-44.2177.5-72.9176.468.200111.8I29 A87 F89 I112 A303 V304 A310 F311I29-M307 HydrophobicContact CB-CE 4.11Å; I29-M307 HydrophobicContact CD1-CE 3.77Å; I29-M307 HydrophobicContact CG2-CE 3.87Å; A87-M307 HydrophobicContact CB-CE 4.27Å; F89-M307 HydrophobicContact CB-SD 4.02Å; I112-M307 HydrophobicContact CD1-CE 4.47Å; I112-M307 HydrophobicContact CD1-CG 4.1Å; I112-M307 HydrophobicContact CD1-SD 4.19Å; I112-M307 HydrophobicContact CG1-CG 4.19Å; A303-M307 WeakPolarHBondContact O-CB 3.28Å; A303-M307 VanDerWaalsContact O-CG 3.26Å; A303-M307 WeakPolarHBondContact O-CG 3.41Å; A303-M307 PolarHBondContact O-N 2.92Å; V304-M307 PolarHBondContact O-N 3.42Å; M307-A310 PolarHBondContact O-N 2.75Å; M307-F311 WeakPolarHBondContact O-CD2 3.34Å; M307-F311 PolarHBondContact O-N 3.43Å
308T94.8Very high94.3Very high6 Ų636.9 Ų36.94%0.03716%0.155CC..Hα-helixtrans-63.1-46.9178.6-580000111F51 F56 V304 Q305 V306 A310 F311 R312F51-T308 HydrophobicContact CB-CG2 4.28Å; F51-T308 WeakPolarHBondContact O-CG2 3.33Å; F56-T308 HydrophobicContact CE2-CG2 4.24Å; F56-T308 HydrophobicContact CZ-CG2 4.02Å; F56-T308 WeakPolarHBondContact CZ-O 3.47Å; V304-T308 WeakPolarHBondContact O-CB 3.5Å; V304-T308 PolarHBondContact O-N 2.84Å; V304-T308 PolarHBondContact O-OG1 3.28Å; Q305-T308 PolarHBondContact O-N 2.9Å; V306-T308 VanDerWaalsContact C-N 3.35Å; V306-T308 PolarHBondContact O-N 2.96Å; T308-A310 VanDerWaalsContact C-N 3.33Å; T308-A310 PolarHBondContact O-N 2.71Å; T308-F311 PolarHBondContact O-N 3.34Å; T308-R312 WeakPolarHBondContact O-CB 3.39Å; T308-R312 PolarHBondContact O-N 2.8Å
309E94.5Very high93.9Very high35 Ų3539.2 Ų39.216%0.16417%0.166CC..Hα-helixtrans-67.7-33.9-179.4-165.258.5-148.400112.1Q305 V306 R312 N313 K316 V351 V353Q305-E309 PolarHBondContact O-N 3.49Å; V306-E309 PolarHBondContact O-N 3.06Å; E309-R312 WeakPolarHBondContact O-CB 3.4Å; E309-R312 PolarHBondContact O-N 3.39Å; E309-R312 WeakPolarHBondContact OE2-CD 3.31Å; E309-R312 IonicContact OE2-CZ 3.55Å; E309-R312 IonicContact OE2-NE 2.69Å; E309-R312 IonicContact OE2-NH1 3.4Å; E309-R312 PolarHBondContact OE2-NH1 2.97Å; E309-N313 WeakPolarHBondContact O-CB 3.21Å; E309-N313 VanDerWaalsContact O-CG 3.26Å; E309-N313 PolarHBondContact O-N 2.84Å; E309-N313 PolarHBondContact O-ND2 2.92Å; E309-N313 PolarHBondContact OE1-OD1 3.44Å; E309-K316 IonicContact OE1-NZ 3.3Å; E309-K316 PolarHBondContact OE1-NZ 3.45Å; E309-V351 HydrophobicContact CB-CG1 4.06Å; E309-V351 HydrophobicContact CG-CG1 4.29Å; E309-V353 HydrophobicContact CB-CG1 4.25Å; E309-V353 HydrophobicContact CG-CG1 4.12Å
310A94.5Very high93.2Very high2 Ų247 Ų472%0.01720%0.203CC..Hα-helixtrans-60.5-49174.100000112.1V306 M307 T308 R312 N313 L314 L348 V351V306-A310 WeakPolarHBondContact O-CB 3.39Å; V306-A310 PolarHBondContact O-N 2.72Å; M307-A310 PolarHBondContact O-N 2.75Å; T308-A310 VanDerWaalsContact C-N 3.33Å; T308-A310 PolarHBondContact O-N 2.71Å; A310-R312 VanDerWaalsContact C-N 3.32Å; A310-R312 PolarHBondContact O-N 3.2Å; A310-N313 PolarHBondContact O-N 3.27Å; A310-L314 WeakPolarHBondContact O-CG 3.48Å; A310-L314 PolarHBondContact O-N 3.26Å; A310-L348 HydrophobicContact CB-CD2 3.57Å; A310-L348 HydrophobicContact CB-CG 3.9Å; A310-V351 HydrophobicContact CB-CG2 3.84Å
311F93.6Very high92.6Very high5 Ų548.1 Ų48.12%0.02221%0.209CC..Hα-helixtrans-67.5-32.7177.2-72.2-60.6000112.8I27 I29 F56 L58 A87 M307 T308 L314 R315 I321 I344I27-F311 HydrophobicContact CD1-CB 3.83Å; I27-F311 HydrophobicContact CD1-CD1 3.84Å; I27-F311 HydrophobicContact CD1-CD2 4.26Å; I27-F311 HydrophobicContact CD1-CE1 4.5Å; I27-F311 HydrophobicContact CD1-CG 3.72Å; I27-F311 HydrophobicContact CG2-CD1 4.32Å; I27-F311 HydrophobicContact CG2-CD2 4.37Å; I27-F311 HydrophobicContact CG2-CE1 3.97Å; I27-F311 HydrophobicContact CG2-CE2 4.02Å; I27-F311 HydrophobicContact CG2-CZ 3.81Å; I29-F311 HydrophobicContact CG2-CE2 4.31Å; F56-F311 HydrophobicContact CD2-CB 4.45Å; F56-F311 HydrophobicContact CE1-CB 4.49Å; F56-F311 HydrophobicContact CE2-CB 3.81Å; F56-F311 HydrophobicContact CZ-CB 3.84Å; L58-F311 HydrophobicContact CD2-CD2 3.77Å; L58-F311 HydrophobicContact CD2-CE2 4.03Å; A87-F311 HydrophobicContact CB-CZ 4.25Å; M307-F311 WeakPolarHBondContact O-CD2 3.34Å; M307-F311 PolarHBondContact O-N 3.43Å; T308-F311 PolarHBondContact O-N 3.34Å; F311-L314 HydrophobicContact CD1-CD1 4Å; F311-L314 HydrophobicContact CE1-CD1 4.44Å; F311-L314 PolarHBondContact O-N 3.07Å; F311-R315 PolarHBondContact O-N 3.47Å; F311-I321 HydrophobicContact CD1-CD1 3.84Å; F311-I321 HydrophobicContact CE1-CD1 3.87Å; F311-I344 HydrophobicContact CE1-CD1 4.31Å
312R92.9Very high91.8Very high74 Ų7451.2 Ų51.228%0.27923%0.233SC..Hα-helixtrans-62.6-44.3171.5-173.7-177.6-73.5159.1-7.1111.2F56 T308 E309 A310 R315 K316F56-R312 HydrophobicContact CE1-CB 4.02Å; F56-R312 HydrophobicContact CZ-CB 4.16Å; T308-R312 WeakPolarHBondContact O-CB 3.39Å; T308-R312 PolarHBondContact O-N 2.8Å; E309-R312 WeakPolarHBondContact O-CB 3.4Å; E309-R312 PolarHBondContact O-N 3.39Å; E309-R312 WeakPolarHBondContact OE2-CD 3.31Å; E309-R312 IonicContact OE2-CZ 3.55Å; E309-R312 IonicContact OE2-NE 2.69Å; E309-R312 IonicContact OE2-NH1 3.4Å; E309-R312 PolarHBondContact OE2-NH1 2.97Å; A310-R312 VanDerWaalsContact C-N 3.32Å; A310-R312 PolarHBondContact O-N 3.2Å; R312-R315 PolarHBondContact O-N 2.92Å; R312-K316 WeakPolarHBondContact O-CG 3.47Å; R312-K316 PolarHBondContact O-N 2.88Å
313N93Very high90.9Very high36 Ų3653.4 Ų53.419%0.19324%0.241CC..Hα-helixtrans-65.9-39178.4-73.1-21.7000112.7E309 A310 R315 K316 Q317E309-N313 WeakPolarHBondContact O-CB 3.21Å; E309-N313 VanDerWaalsContact O-CG 3.26Å; E309-N313 PolarHBondContact O-N 2.84Å; E309-N313 PolarHBondContact O-ND2 2.92Å; E309-N313 PolarHBondContact OE1-OD1 3.44Å; A310-N313 PolarHBondContact O-N 3.27Å; N313-R315 VanDerWaalsContact C-N 3.3Å; N313-R315 PolarHBondContact O-N 2.89Å; N313-K316 PolarHBondContact O-N 3.24Å; N313-K316 PolarHBondContact OD1-NZ 2.91Å; N313-Q317 WeakPolarHBondContact O-CB 3.29Å; N313-Q317 WeakPolarHBondContact O-CG 3.41Å; N313-Q317 PolarHBondContact O-N 3.07Å
314L92Very high89.7Confident3 Ų365.3 Ų65.32%0.01629%0.286CS..Hα-helixtrans-59.6-41173.6-73166.6000112.1A310 F311 Q317 R318 I319 I321 I344 A347A310-L314 WeakPolarHBondContact O-CG 3.48Å; A310-L314 PolarHBondContact O-N 3.26Å; F311-L314 HydrophobicContact CD1-CD1 4Å; F311-L314 HydrophobicContact CE1-CD1 4.44Å; F311-L314 PolarHBondContact O-N 3.07Å; L314-Q317 PolarHBondContact O-N 3.18Å; L314-R318 PolarHBondContact O-N 3.43Å; L314-I319 HydrophobicContact CD2-CB 4.25Å; L314-I319 HydrophobicContact CD2-CD1 4.12Å; L314-I319 HydrophobicContact CD2-CG2 4.32Å; L314-I319 PolarHBondContact O-N 3.27Å; L314-I321 HydrophobicContact CD1-CG2 4.12Å; L314-I344 HydrophobicContact CD1-CG1 3.78Å; L314-A347 HydrophobicContact CD1-CB 4.11Å; L314-A347 HydrophobicContact CD2-CB 3.73Å; L314-A347 HydrophobicContact CG-CB 3.68Å
315R89.5Confident88.7Confident102 Ų10267.4 Ų67.439%0.38531%0.308SS..Hα-helixtrans-67.5-41.9173.9-76.2-169167.6-155.5-0.8112.8N25 E55 F311 R312 N313 Q317 R318N25-R315 PolarHBondContact OD1-NH2 3.42Å; E55-R315 VanDerWaalsContact C-NH1 3.33Å; E55-R315 PolarHBondContact O-NH1 3.07Å; F311-R315 PolarHBondContact O-N 3.47Å; R312-R315 PolarHBondContact O-N 2.92Å; N313-R315 VanDerWaalsContact C-N 3.3Å; N313-R315 PolarHBondContact O-N 2.89Å; R315-Q317 VanDerWaalsContact C-N 3.26Å; R315-Q317 PolarHBondContact O-N 3.45Å; R315-R318 PolarHBondContact O-N 3.49Å
316K90.4Very high87.9Confident133 Ų13373.3 Ų73.358%0.57834%0.34SS*.Hα-helixtrans-58.7-38.9174.2-72.6172.2-177.11620111.6E309 R312 N313 R318E309-K316 IonicContact OE1-NZ 3.3Å; E309-K316 PolarHBondContact OE1-NZ 3.45Å; R312-K316 WeakPolarHBondContact O-CG 3.47Å; R312-K316 PolarHBondContact O-N 2.88Å; N313-K316 PolarHBondContact O-N 3.24Å; N313-K316 PolarHBondContact OD1-NZ 2.91Å; K316-R318 PolarHBondContact O-N 3.42Å
317Q91.3Very high87.1Confident101 Ų10174.6 Ų74.647%0.47235%0.351SS..THydrogen-bonded Turntrans-77.7-2.9176.2-67.8174.91.600113.6N313 L314 R315 I319N313-Q317 WeakPolarHBondContact O-CB 3.29Å; N313-Q317 WeakPolarHBondContact O-CG 3.41Å; N313-Q317 PolarHBondContact O-N 3.07Å; L314-Q317 PolarHBondContact O-N 3.18Å; R315-Q317 VanDerWaalsContact C-N 3.26Å; R315-Q317 PolarHBondContact O-N 3.45Å; Q317-I319 HydrophobicContact CB-CD1 4.04Å; Q317-I319 HydrophobicContact CB-CG1 3.98Å; Q317-I319 PolarHBondContact O-N 2.96Å
318R88.2Confident86.6Confident225 Ų22576.4 Ų76.485%0.84937%0.37SS*.THydrogen-bonded Turntrans56.532.9-176.9-55.7-178.2-179.9-178.5-0.5113.5L314 R315 K316L314-R318 PolarHBondContact O-N 3.43Å; R315-R318 PolarHBondContact O-N 3.49Å; K316-R318 PolarHBondContact O-N 3.42Å
319I87.1Confident86.3Confident49 Ų4980.4 Ų80.425%0.25139%0.391SS..  trans-85114.7174.6-60.8176.9000108.1L314 Q317 I321 E343L314-I319 HydrophobicContact CD2-CB 4.25Å; L314-I319 HydrophobicContact CD2-CD1 4.12Å; L314-I319 HydrophobicContact CD2-CG2 4.32Å; L314-I319 PolarHBondContact O-N 3.27Å; Q317-I319 HydrophobicContact CB-CD1 4.04Å; Q317-I319 HydrophobicContact CB-CG1 3.98Å; Q317-I319 PolarHBondContact O-N 2.96Å; I319-I321 PolarHBondContact O-N 3.22Å; I319-E343 HydrophobicContact CG2-CB 4.49Å
320E83Confident86Confident164 Ų16479.1 Ų79.177%0.76639%0.386SS*.  trans-76.7116.7174-71.6-170.5170.500110.8
321I85Confident85.8Confident23 Ų2384.9 Ų84.912%0.11842%0.415CS..  trans-92.9-2.6176.959.8174.3000113.3Y86 F311 L314 I319 R323 I344Y86-I321 HydrophobicContact CD1-CD1 4.29Å; Y86-I321 HydrophobicContact CE1-CB 4.42Å; Y86-I321 HydrophobicContact CE1-CD1 4.45Å; Y86-I321 HydrophobicContact CE1-CG1 4.33Å; Y86-I321 WeakPolarHBondContact CE1-O 3.47Å; F311-I321 HydrophobicContact CD1-CD1 3.84Å; F311-I321 HydrophobicContact CE1-CD1 3.87Å; L314-I321 HydrophobicContact CD1-CG2 4.12Å; I319-I321 PolarHBondContact O-N 3.22Å; I321-R323 PolarHBondContact O-N 2.84Å; I321-R323 VanDerWaalsContact O-N 3.14Å; I321-I344 HydrophobicContact CG2-CD1 4.4Å; I321-I344 HydrophobicContact CG2-CG1 4.29Å
322S80.9Confident85.5Confident81 Ų8186.9 Ų86.957%0.56643%0.433SS*.  trans-54.7117.9-174.3-62.50000111.9R324S322-R324 PolarHBondContact O-N 3.46Å
323R76.4Confident85.2Confident46 Ų4690.9 Ų90.917%0.17446%0.46CS..  trans-68.8126.3-179.6-145.7175.5-166.1144.40.1109.6G84 V85 I321 G325 A327G84-R323 VanDerWaalsContact CA-NH1 3.3Å; G84-R323 PolarHBondContact O-NH1 3.47Å; V85-R323 PolarHBondContact O-NH1 3.28Å; I321-R323 PolarHBondContact O-N 2.84Å; I321-R323 VanDerWaalsContact O-N 3.14Å; R323-G325 PolarHBondContact O-N 3.04Å; R323-A327 VanDerWaalsContact NH2-CB 3.33Å
324R72Confident84.7Confident251 Ų25194.5 Ų94.595%0.94749%0.486SS*.SBendtrans-72.1-6.3-176.9-68.5-175.6178.4-179.2-0.8114.5S322S322-R324 PolarHBondContact O-N 3.46Å
325G75.1Confident84.3Confident45 Ų4595.6 Ų95.646%0.46450%0.495SS..SBendtrans-176179.9178.700000112.3R323R323-G325 PolarHBondContact O-N 3.04Å
326N81.2Confident84Confident157 Ų15796.8 Ų96.884%0.8451%0.513SS*.  trans-62.8140.1173-67.1-13.6000109.7G328N326-G328 PolarHBondContact O-N 3.34Å
327A79.5Confident83.7Confident26 Ų2693 Ų9322%0.21550%0.502CS..  trans-64-21.3-178.200000113.6F81 R323F81-A327 HydrophobicContact CD1-CB 4Å; F81-A327 HydrophobicContact CD2-CB 4.45Å; F81-A327 HydrophobicContact CE1-CB 3.71Å; F81-A327 WeakPolarHBondContact CE1-O 3.35Å; F81-A327 HydrophobicContact CE2-CB 4.2Å; F81-A327 HydrophobicContact CG-CB 4.38Å; F81-A327 HydrophobicContact CZ-CB 3.82Å; F81-A327 WeakPolarHBondContact O-CB 3.43Å; R323-A327 VanDerWaalsContact NH2-CB 3.33Å
328G84Confident83.3Confident40 Ų4089.2 Ų89.241%0.41248%0.484SS..  trans82.7-157.3-174.800000112.5S82 N326S82-G328 PolarHBondContact OG-O 3.4Å; N326-G328 PolarHBondContact O-N 3.34Å
329D87.9Confident82.8Confident91 Ų9181 Ų8149%0.48747%0.468SS..  trans-82.1140.7174.8-166.5-7.1000110L331 A332D329-L331 PolarHBondContact O-N 2.89Å; D329-L331 PolarHBondContact OD1-N 3Å; D329-A332 WeakPolarHBondContact O-CB 3.44Å; D329-A332 PolarHBondContact O-N 2.92Å
330C88.8Confident82.9Confident7 Ų781.7 Ų81.75%0.04747%0.471CS..THydrogen-bonded Turntrans-64.1-23.1174.463.40000112C78 F81 L107 A332C78-C330 HydrophobicContact CB-CB 3.78Å; C78-C330 WeakPolarHBondContact CB-SG 3.13Å; C78-C330 WeakPolarHBondContact SG-CB 3.45Å; C78-C330 CovalentContact SG-SG 2.01Å; C78-C330 PolarHBondContact SG-SG 3.25Å; F81-C330 HydrophobicContact CD1-CB 4.01Å; F81-C330 HydrophobicContact CG-CB 4.47Å; L107-C330 HydrophobicContact CD1-CB 4.09Å; C330-A332 VanDerWaalsContact C-N 3.35Å
331L90.6Very high83.2Confident123 Ų12373.9 Ų73.964%0.64443%0.434SS*.THydrogen-bonded Turntrans-93.315178.2-59.1-179.8000113.4D329 N333D329-L331 PolarHBondContact O-N 2.89Å; D329-L331 PolarHBondContact OD1-N 3Å; L331-N333 PolarHBondContact O-N 2.5Å
332A87.4Confident83.6Confident47 Ų4775.2 Ų75.239%0.38844%0.444SS..  trans-53.8134.517300000110.6D329 C330 P334 A335D329-A332 WeakPolarHBondContact O-CB 3.44Å; D329-A332 PolarHBondContact O-N 2.92Å; C330-A332 VanDerWaalsContact C-N 3.35Å; A332-P334 CarbonylContact O-C 3.36Å; A332-A335 WeakPolarHBondContact O-CA 3.07Å; A332-A335 WeakPolarHBondContact O-CB 3.43Å; A332-A335 PolarHBondContact O-N 3.25Å
333N86.4Confident84.1Confident158 Ų15874 Ų7485%0.84543%0.429SS*.SBendtrans-129.9108-176.6-1708.7000110.9L331L331-N333 PolarHBondContact O-N 2.5Å
334P81.5Confident84.9Confident113 Ų11371.8 Ų71.873%0.73442%0.421SS*.SBendcis-71.9141.8-5.5-15.931.5000112.5A332 V336A332-P334 CarbonylContact O-C 3.36Å; P334-V336 PolarHBondContact O-N 3.03Å
335A84Confident86Confident26 Ų2660.7 Ų60.722%0.21538%0.379CS..  trans-70.7129.517200000109L107 A332 P337L107-A335 HydrophobicContact CD2-CB 3.61Å; A332-A335 WeakPolarHBondContact O-CA 3.07Å; A332-A335 WeakPolarHBondContact O-CB 3.43Å; A332-A335 PolarHBondContact O-N 3.25Å; A335-P337 VanDerWaalsContact O-CD 3.32Å; A335-P337 WeakPolarHBondContact O-CD 3.41Å
336V83.6Confident86.9Confident126 Ų12664.1 Ų64.176%0.76438%0.378SS*.  trans-91.9111.7176.7179.30000108.6P334P334-V336 PolarHBondContact O-N 3.03Å
337P83.9Confident87.5Confident54 Ų5456.8 Ų56.835%0.35134%0.339SS..  trans-66.3141.5174.4-15.730.5000110.3H108 A335H108-P337 HydrophobicContact CB-CB 4.1Å; H108-P337 WeakPolarHBondContact ND1-CB 3.41Å; A335-P337 VanDerWaalsContact O-CD 3.32Å; A335-P337 WeakPolarHBondContact O-CD 3.41Å
338W83.5Confident88.3Confident22 Ų2255.7 Ų55.78%0.08333%0.33CS..  trans-86.5118.9175.970.5-65.8000108.9Y86 H108 Q340 G341 I344Y86-W338 AromaticContact CD1-CH2 3.76Å; Y86-W338 HydrophobicContact CD1-CH2 3.76Å; Y86-W338 HydrophobicContact CD1-CZ3 4.1Å; Y86-W338 HydrophobicContact CE1-CZ3 4.45Å; H108-W338 PolarHBondContact O-NE1 3.4Å; H108-W338 VanDerWaalsContact O-NE1 3.09Å; W338-Q340 HydrophobicContact CE3-CB 3.65Å; W338-Q340 HydrophobicContact CH2-CB 4.38Å; W338-Q340 HydrophobicContact CZ3-CB 3.47Å; W338-Q340 VanDerWaalsContact CZ3-CB 3.47Å; W338-Q340 PolarHBondContact O-N 3.48Å; W338-Q340 VanDerWaalsContact O-N 3.09Å; W338-G341 PolarHBondContact O-N 3.23Å; W338-I344 HydrophobicContact CH2-CD1 3.26Å; W338-I344 HydrophobicContact CH2-CG1 4.49Å; W338-I344 HydrophobicContact CZ2-CD1 3.89Å; W338-I344 HydrophobicContact CZ3-CD1 4.2Å
339G78.2Confident88.8Confident51 Ų5155.7 Ų55.753%0.52632%0.319SS..THydrogen-bonded Turntrans-60.3-26.2-166.400000115.3G341 V342G339-G341 PolarHBondContact O-N 3.42Å; G339-V342 PolarHBondContact O-N 3.37Å
340Q87.9Confident89.1Confident65 Ų6557 Ų5730%0.30432%0.322SS..Hα-helixtrans-71.6-15.1179.3-63.274.815.900113W338 V342 E343 I344W338-Q340 HydrophobicContact CE3-CB 3.65Å; W338-Q340 HydrophobicContact CH2-CB 4.38Å; W338-Q340 HydrophobicContact CZ3-CB 3.47Å; W338-Q340 VanDerWaalsContact CZ3-CB 3.47Å; W338-Q340 PolarHBondContact O-N 3.48Å; W338-Q340 VanDerWaalsContact O-N 3.09Å; Q340-V342 VanDerWaalsContact C-N 3.26Å; Q340-V342 PolarHBondContact O-N 3.4Å; Q340-E343 PolarHBondContact O-N 3.04Å; Q340-E343 VanDerWaalsContact O-N 3.16Å; Q340-I344 PolarHBondContact O-N 3.26Å; Q340-I344 VanDerWaalsContact O-N 3.12Å
341G90.2Very high89.5Confident0 Ų056.8 Ų56.80%032%0.32CS..Hα-helixtrans-59.4-35.6174.900000113.2W338 G339 I344 E345W338-G341 PolarHBondContact O-N 3.23Å; G339-G341 PolarHBondContact O-N 3.42Å; G341-I344 PolarHBondContact O-N 3.07Å; G341-E345 PolarHBondContact O-N 2.97Å
342V92.3Very high89.7Confident51 Ų5156.3 Ų56.331%0.30932%0.315SS..Hα-helixtrans-65.1-39.7176.2-177.70000111.3F124 G339 Q340 I344 E345 R346F124-V342 HydrophobicContact CE1-CG2 4.49Å; F124-V342 HydrophobicContact CZ-CG2 4.07Å; G339-V342 PolarHBondContact O-N 3.37Å; Q340-V342 VanDerWaalsContact C-N 3.26Å; Q340-V342 PolarHBondContact O-N 3.4Å; V342-I344 VanDerWaalsContact C-N 3.34Å; V342-E345 PolarHBondContact O-N 2.92Å; V342-R346 WeakPolarHBondContact O-CB 3.27Å; V342-R346 PolarHBondContact O-N 3.34Å
343E91.9Very high90.1Very high54 Ų5455 Ų5525%0.25230%0.302SS..Hα-helixtrans-68.9-35.2178.1-65-57.5152.400111.6I319 Q340 R346 A347I319-E343 HydrophobicContact CG2-CB 4.49Å; Q340-E343 PolarHBondContact O-N 3.04Å; Q340-E343 VanDerWaalsContact O-N 3.16Å; E343-R346 PolarHBondContact O-N 3.26Å; E343-R346 IonicContact OE1-CZ 2.84Å; E343-R346 IonicContact OE1-NH1 2.75Å; E343-R346 PolarHBondContact OE1-NH1 2.99Å; E343-R346 IonicContact OE1-NH2 2.72Å; E343-R346 IonicContact OE2-CZ 2.73Å; E343-R346 IonicContact OE2-NH1 3.76Å; E343-R346 PolarHBondContact OE2-NH1 3.36Å; E343-A347 WeakPolarHBondContact O-CB 3.42Å; E343-A347 PolarHBondContact O-N 2.91Å
344I93.2Very high90.5Very high1 Ų152.5 Ų52.51%0.00529%0.285CS..Hα-helixtrans-65.6-44.8173.7-67.7173.7000111.1F311 L314 I321 W338 Q340 G341 V342 R346 A347 L348F311-I344 HydrophobicContact CE1-CD1 4.31Å; L314-I344 HydrophobicContact CD1-CG1 3.78Å; I321-I344 HydrophobicContact CG2-CD1 4.4Å; I321-I344 HydrophobicContact CG2-CG1 4.29Å; W338-I344 HydrophobicContact CH2-CD1 3.26Å; W338-I344 HydrophobicContact CH2-CG1 4.49Å; W338-I344 HydrophobicContact CZ2-CD1 3.89Å; W338-I344 HydrophobicContact CZ3-CD1 4.2Å; Q340-I344 PolarHBondContact O-N 3.26Å; Q340-I344 VanDerWaalsContact O-N 3.12Å; G341-I344 PolarHBondContact O-N 3.07Å; V342-I344 VanDerWaalsContact C-N 3.34Å; I344-R346 VanDerWaalsContact C-N 3.32Å; I344-R346 PolarHBondContact O-N 2.89Å; I344-A347 PolarHBondContact O-N 2.87Å; I344-L348 HydrophobicContact CG2-CD1 3.85Å; I344-L348 HydrophobicContact CG2-CG 4.41Å; I344-L348 WeakPolarHBondContact O-CB 3.35Å; I344-L348 WeakPolarHBondContact O-CG 3.31Å; I344-L348 PolarHBondContact O-N 3.41Å
345E94.3Very high91.1Very high18 Ų1847.1 Ų47.18%0.08425%0.25CC..Hα-helixtrans-60-44.6176.1-172.1-165.4-163.800111F124 G341 V342 A347 L348 K349F124-E345 WeakPolarHBondContact CA-OE1 3.44Å; F124-E345 HydrophobicContact CD1-CB 3.92Å; F124-E345 HydrophobicContact CD1-CG 4.16Å; F124-E345 HydrophobicContact CE1-CB 3.95Å; F124-E345 HydrophobicContact CE1-CG 4.46Å; F124-E345 PolarHBondContact N-OE1 3.24Å; G341-E345 PolarHBondContact O-N 2.97Å; V342-E345 PolarHBondContact O-N 2.92Å; E345-A347 PolarHBondContact O-N 3.37Å; E345-L348 PolarHBondContact O-N 3.4Å; E345-K349 HydrophobicContact CG-CD 4.24Å; E345-K349 WeakPolarHBondContact O-CG 3.41Å; E345-K349 PolarHBondContact O-N 2.88Å; E345-K349 WeakPolarHBondContact OE1-CE 3.44Å; E345-K349 IonicContact OE1-NZ 3.79Å; E345-K349 PolarHBondContact OE1-NZ 2.73Å; E345-K349 IonicContact OE2-NZ 2.69Å
346R94.2Very high91.6Very high117 Ų11746 Ų4644%0.44224%0.24SC..Hα-helixtrans-60.1-45.1175.8-175.1-176.7-65.3145.72.5111.4V342 E343 I344 K349 Q350V342-R346 WeakPolarHBondContact O-CB 3.27Å; V342-R346 PolarHBondContact O-N 3.34Å; E343-R346 PolarHBondContact O-N 3.26Å; E343-R346 IonicContact OE1-CZ 2.84Å; E343-R346 IonicContact OE1-NH1 2.75Å; E343-R346 PolarHBondContact OE1-NH1 2.99Å; E343-R346 IonicContact OE1-NH2 2.72Å; E343-R346 IonicContact OE2-CZ 2.73Å; E343-R346 IonicContact OE2-NH1 3.76Å; E343-R346 PolarHBondContact OE2-NH1 3.36Å; I344-R346 VanDerWaalsContact C-N 3.32Å; I344-R346 PolarHBondContact O-N 2.89Å; R346-K349 PolarHBondContact O-N 3.36Å; R346-Q350 VanDerWaalsContact O-CG 3.3Å; R346-Q350 WeakPolarHBondContact O-CG 3.3Å; R346-Q350 PolarHBondContact O-N 2.78Å; R346-Q350 VanDerWaalsContact O-N 3.16Å
347A94.8Very high92.2Very high2 Ų240.1 Ų40.12%0.01721%0.205CC..Hα-helixtrans-63.2-42.217800000111.8L314 E343 I344 E345 Q350 V351L314-A347 HydrophobicContact CD1-CB 4.11Å; L314-A347 HydrophobicContact CD2-CB 3.73Å; L314-A347 HydrophobicContact CG-CB 3.68Å; E343-A347 WeakPolarHBondContact O-CB 3.42Å; E343-A347 PolarHBondContact O-N 2.91Å; I344-A347 PolarHBondContact O-N 2.87Å; E345-A347 PolarHBondContact O-N 3.37Å; A347-Q350 PolarHBondContact O-N 3.03Å; A347-V351 WeakPolarHBondContact O-CG2 3.35Å; A347-V351 PolarHBondContact O-N 3Å
348L95.4Very high92.7Very high4 Ų438.7 Ų38.72%0.02120%0.2CC..Hα-helixtrans-61.1-46.4176.1-77.5163.6000112I112 I126 V306 A310 I344 E345 Q350 V351I112-L348 HydrophobicContact CD1-CD1 4.23Å; I112-L348 HydrophobicContact CG1-CD1 4.47Å; I112-L348 HydrophobicContact CG1-CD2 4.43Å; I126-L348 HydrophobicContact CD1-CB 4.1Å; I126-L348 HydrophobicContact CG1-CB 4.06Å; I126-L348 HydrophobicContact CG1-CD1 4.14Å; V306-L348 HydrophobicContact CG1-CD2 4.16Å; A310-L348 HydrophobicContact CB-CD2 3.57Å; A310-L348 HydrophobicContact CB-CG 3.9Å; I344-L348 HydrophobicContact CG2-CD1 3.85Å; I344-L348 HydrophobicContact CG2-CG 4.41Å; I344-L348 WeakPolarHBondContact O-CB 3.35Å; I344-L348 WeakPolarHBondContact O-CG 3.31Å; I344-L348 PolarHBondContact O-N 3.41Å; E345-L348 PolarHBondContact O-N 3.4Å; L348-Q350 PolarHBondContact O-N 3.25Å; L348-V351 WeakPolarHBondContact O-CB 3.49Å; L348-V351 PolarHBondContact O-N 3.29Å
349K94.8Very high93.2Very high40 Ų4038.9 Ų38.917%0.17420%0.203CC..Hα-helixtrans-66.7-25.4179.8-70.3174.5-177.8171.20113.4I126 E345 R346 Q364I126-K349 HydrophobicContact CD1-CG 3.81Å; E345-K349 HydrophobicContact CG-CD 4.24Å; E345-K349 WeakPolarHBondContact O-CG 3.41Å; E345-K349 PolarHBondContact O-N 2.88Å; E345-K349 WeakPolarHBondContact OE1-CE 3.44Å; E345-K349 IonicContact OE1-NZ 3.79Å; E345-K349 PolarHBondContact OE1-NZ 2.73Å; E345-K349 IonicContact OE2-NZ 2.69Å; R346-K349 PolarHBondContact O-N 3.36Å; K349-Q364 VanDerWaalsContact CE-O 3.24Å; K349-Q364 WeakPolarHBondContact CE-O 3.48Å; K349-Q364 PolarHBondContact NZ-O 2.84Å
350Q94.8Very high94.1Very high119 Ų11936.5 Ų36.556%0.55618%0.178SC*.THydrogen-bonded Turntrans-84.3-8.4177.6-72.9177.1-3.700113.6R346 A347 L348 Q352R346-Q350 VanDerWaalsContact O-CG 3.3Å; R346-Q350 WeakPolarHBondContact O-CG 3.3Å; R346-Q350 PolarHBondContact O-N 2.78Å; R346-Q350 VanDerWaalsContact O-N 3.16Å; A347-Q350 PolarHBondContact O-N 3.03Å; L348-Q350 PolarHBondContact O-N 3.25Å; Q350-Q352 PolarHBondContact O-N 2.92Å
351V95.7Very high94.4Very high1 Ų137.3 Ų37.31%0.00618%0.181CC..  trans-66.2128.9178.1179.60000109.9V306 E309 A310 A347 L348 V353V306-V351 HydrophobicContact CB-CG1 4.47Å; V306-V351 HydrophobicContact CG1-CB 4.2Å; V306-V351 HydrophobicContact CG1-CG1 4.19Å; V306-V351 HydrophobicContact CG1-CG2 4.37Å; V306-V351 HydrophobicContact CG2-CG1 4.36Å; E309-V351 HydrophobicContact CB-CG1 4.06Å; E309-V351 HydrophobicContact CG-CG1 4.29Å; A310-V351 HydrophobicContact CB-CG2 3.84Å; A347-V351 WeakPolarHBondContact O-CG2 3.35Å; A347-V351 PolarHBondContact O-N 3Å; L348-V351 WeakPolarHBondContact O-CB 3.49Å; L348-V351 PolarHBondContact O-N 3.29Å; V351-V353 HydrophobicContact CG1-CG1 3.76Å; V351-V353 HydrophobicContact CG1-CG2 4.13Å
352Q96Very high94.7Very high114 Ų11437.8 Ų37.853%0.53318%0.183SC..  trans-127.9116.8166.6-174.3176.6-800109Q350 N359 I360Q350-Q352 PolarHBondContact O-N 2.92Å; Q352-N359 PolarHBondContact NE2-OD1 2.85Å; Q352-N359 VanDerWaalsContact NE2-OD1 3.16Å; Q352-I360 WeakPolarHBondContact CA-O 3.06Å
353V95.3Very high94.7Very high20 Ų2037.2 Ų37.212%0.12118%0.178CC..EExtended strand (participates in β ladder)trans-142.7154-178-66.20000110.3Q305 V306 E309 V351 I360Q305-V353 HydrophobicContact CG-CG2 4.26Å; V306-V353 HydrophobicContact CG2-CG2 3.94Å; E309-V353 HydrophobicContact CB-CG1 4.25Å; E309-V353 HydrophobicContact CG-CG1 4.12Å; V351-V353 HydrophobicContact CG1-CG1 3.76Å; V351-V353 HydrophobicContact CG1-CG2 4.13Å; V353-I360 HydrophobicContact CG2-CB 4.21Å; V353-I360 HydrophobicContact CG2-CD1 4.17Å; V353-I360 PolarHBondContact N-O 3.27Å; V353-I360 WeakPolarHBondContact O-CB 3.47Å; V353-I360 PolarHBondContact O-N 3.45Å
354E95.1Very high94.8Very high104 Ų10442.8 Ų42.849%0.48620%0.204SC..EExtended strand (participates in β ladder)trans-93.1128.2168.4-67.6-64.2158.900109.3Q305 N359Q305-E354 PolarHBondContact NE2-O 3.23Å; Q305-E354 PolarHBondContact OE1-O 3.19Å; E354-N359 VanDerWaalsContact OE1-CB 3.27Å; E354-N359 WeakPolarHBondContact OE1-CB 3.41Å; E354-N359 PolarHBondContact OE1-OD1 3.31Å; E354-N359 VanDerWaalsContact OE2-CA 3.28Å; E354-N359 WeakPolarHBondContact OE2-CA 3.48Å; E354-N359 PolarHBondContact OE2-N 3.36Å
355G94.4Very high94.8Very high0 Ų045.2 Ų45.20%022%0.217CC..EExtended strand (participates in β ladder)trans-134.8-162.7179.600000112.2D302 S357 G358D302-G355 WeakPolarHBondContact OD1-CA 3.23Å; G355-S357 PolarHBondContact O-N 3.29Å; G355-G358 PolarHBondContact N-O 3.02Å; G355-G358 VanDerWaalsContact N-O 3.11Å; G355-G358 PolarHBondContact O-N 2.9Å
356L95.1Very high94.7Very high2 Ų244.3 Ų44.31%0.0121%0.213CC..THydrogen-bonded Turntrans-66.7-26.5177.3-59.9178000112.7L269 V270 F273 A298 Y301 D302 G358L269-L356 HydrophobicContact CD2-CD2 3.71Å; V270-L356 HydrophobicContact CB-CD2 4.42Å; V270-L356 HydrophobicContact CG2-CD2 3.94Å; F273-L356 HydrophobicContact CB-CD2 3.79Å; F273-L356 HydrophobicContact CD1-CD1 4.04Å; F273-L356 HydrophobicContact CD1-CD2 4.06Å; F273-L356 HydrophobicContact CD2-CD1 4.26Å; F273-L356 HydrophobicContact CD2-CD2 4.33Å; F273-L356 HydrophobicContact CE1-CD1 4.01Å; F273-L356 HydrophobicContact CE2-CD1 4.22Å; F273-L356 HydrophobicContact CG-CD1 4.18Å; F273-L356 HydrophobicContact CG-CD2 3.79Å; F273-L356 HydrophobicContact CZ-CD1 4.09Å; A298-L356 HydrophobicContact CB-CB 4.03Å; A298-L356 HydrophobicContact CB-CD1 3.97Å; Y301-L356 HydrophobicContact CD1-CD1 3.47Å; Y301-L356 VanDerWaalsContact CD1-CD1 3.47Å; Y301-L356 HydrophobicContact CD1-CG 3.72Å; Y301-L356 HydrophobicContact CE1-CD1 4.06Å; Y301-L356 HydrophobicContact CE1-CD2 4.5Å; Y301-L356 HydrophobicContact CE1-CG 3.99Å; Y301-L356 HydrophobicContact CG-CD1 3.94Å; D302-L356 PolarHBondContact OD1-N 3.46Å; D302-L356 PolarHBondContact OD2-N 3.37Å; L356-G358 VanDerWaalsContact C-N 3.28Å
357S95.1Very high94.7Very high3 Ų341.9 Ų41.92%0.02121%0.205CC..THydrogen-bonded Turntrans-90.52017464.90000114D302 G355 R368D302-S357 VanDerWaalsContact OD2-CB 3.29Å; D302-S357 WeakPolarHBondContact OD2-CB 3.37Å; D302-S357 PolarHBondContact OD2-N 3.44Å; D302-S357 PolarHBondContact OD2-OG 3.01Å; G355-S357 PolarHBondContact O-N 3.29Å; S357-R368 PolarHBondContact OG-NH1 3.37Å; S357-R368 VanDerWaalsContact OG-NH1 3.09Å
358G94.2Very high94.7Very high25 Ų2542.3 Ų42.326%0.25821%0.207SC..EExtended strand (participates in β ladder)trans70.2-144.2-175.400000112.7G355 L356 I360G355-G358 PolarHBondContact N-O 3.02Å; G355-G358 VanDerWaalsContact N-O 3.11Å; G355-G358 PolarHBondContact O-N 2.9Å; L356-G358 VanDerWaalsContact C-N 3.28Å; G358-I360 WeakPolarHBondContact O-CG1 3.25Å; G358-I360 PolarHBondContact O-N 3.18Å
359N95.2Very high94.6Very high26 Ų2644.2 Ų44.214%0.13922%0.216CC..EExtended strand (participates in β ladder)trans-69.2117.5-177.1175.562.1000112Q352 E354 R368 N370Q352-N359 PolarHBondContact NE2-OD1 2.85Å; Q352-N359 VanDerWaalsContact NE2-OD1 3.16Å; E354-N359 VanDerWaalsContact OE1-CB 3.27Å; E354-N359 WeakPolarHBondContact OE1-CB 3.41Å; E354-N359 PolarHBondContact OE1-OD1 3.31Å; E354-N359 VanDerWaalsContact OE2-CA 3.28Å; E354-N359 WeakPolarHBondContact OE2-CA 3.48Å; E354-N359 PolarHBondContact OE2-N 3.36Å; N359-R368 PolarHBondContact O-NH2 3.46Å; N359-N370 PolarHBondContact ND2-ND2 2.92Å; N359-N370 PolarHBondContact ND2-O 3.44Å
360I96.1Very high94.5Very high0 Ų046 Ų460%023%0.228CC..EExtended strand (participates in β ladder)trans-99.6118.8179.1-50.2-178.6000109.4M128 D302 V306 Q352 V353 G358 F362M128-I360 HydrophobicContact CE-CD1 4.05Å; M128-I360 HydrophobicContact CE-CG2 4.46Å; D302-I360 HydrophobicContact CB-CD1 3.64Å; V306-I360 HydrophobicContact CG2-CD1 4.23Å; V306-I360 HydrophobicContact CG2-CG2 4.06Å; Q352-I360 WeakPolarHBondContact CA-O 3.06Å; V353-I360 HydrophobicContact CG2-CB 4.21Å; V353-I360 HydrophobicContact CG2-CD1 4.17Å; V353-I360 PolarHBondContact N-O 3.27Å; V353-I360 WeakPolarHBondContact O-CB 3.47Å; V353-I360 PolarHBondContact O-N 3.45Å; G358-I360 WeakPolarHBondContact O-CG1 3.25Å; G358-I360 PolarHBondContact O-N 3.18Å; I360-F362 HydrophobicContact CG2-CE1 4.26Å; I360-F362 HydrophobicContact CG2-CE2 3.8Å; I360-F362 HydrophobicContact CG2-CZ 3.54Å
361K95.2Very high94.5Very high83 Ų8340.9 Ų40.936%0.36120%0.203SC..EExtended strand (participates in β ladder)trans-143.7147.2173.1-172.5176.5-179.9176.60109.4R368 I369K361-R368 WeakPolarHBondContact O-CA 3.47Å; K361-I369 HydrophobicContact CB-CG1 4.12Å; K361-I369 HydrophobicContact CD-CD1 4.15Å; K361-I369 HydrophobicContact CD-CG1 4.25Å; K361-I369 HydrophobicContact CG-CD1 4.1Å; K361-I369 HydrophobicContact CG-CG1 3.91Å; K361-I369 PolarHBondContact O-N 3.41Å
362F95.6Very high94.4Very high10 Ų1044 Ų444%0.04422%0.223CC..EExtended strand (participates in β ladder)trans-116.3153-179-56-74.9000112.5I126 M128 V306 I360 K367 R368I126-F362 HydrophobicContact CG2-CD1 4Å; I126-F362 HydrophobicContact CG2-CD2 4.46Å; I126-F362 HydrophobicContact CG2-CE1 3.55Å; I126-F362 HydrophobicContact CG2-CE2 4.06Å; I126-F362 HydrophobicContact CG2-CG 4.44Å; I126-F362 HydrophobicContact CG2-CZ 3.58Å; M128-F362 HydrophobicContact SD-CE1 4.29Å; M128-F362 HydrophobicContact SD-CZ 3.82Å; V306-F362 HydrophobicContact CG1-CE2 3.87Å; V306-F362 HydrophobicContact CG1-CZ 4.28Å; V306-F362 HydrophobicContact CG2-CE2 4.33Å; V306-F362 HydrophobicContact CG2-CZ 4.41Å; I360-F362 HydrophobicContact CG2-CE1 4.26Å; I360-F362 HydrophobicContact CG2-CE2 3.8Å; I360-F362 HydrophobicContact CG2-CZ 3.54Å; F362-K367 CarbonylContact C-O 3.51Å; F362-K367 VanDerWaalsContact CA-O 3.25Å; F362-K367 WeakPolarHBondContact CA-O 3.48Å; F362-R368 HydrophobicContact CE1-CG 4.33Å
363D93.2Very high94.4Very high39 Ų3938.6 Ų38.621%0.20920%0.197CC..  trans-82.7-175.2167.280.2-15.9000111.7N365 G366 K367 I369D363-N365 PolarHBondContact O-N 3.12Å; D363-N365 VanDerWaalsContact O-N 3.15Å; D363-N365 VanDerWaalsContact OD1-C 3.26Å; D363-N365 VanDerWaalsContact OD1-CA 3.28Å; D363-N365 WeakPolarHBondContact OD1-CA 3.47Å; D363-N365 WeakPolarHBondContact OD1-CB 3.42Å; D363-N365 PolarHBondContact OD1-N 2.94Å; D363-N365 PolarHBondContact OD2-ND2 2.84Å; D363-G366 PolarHBondContact O-N 3.04Å; D363-G366 PolarHBondContact OD1-N 3.34Å; D363-K367 PolarHBondContact N-O 2.84Å; D363-K367 PolarHBondContact OD1-N 3.14Å; D363-I369 HydrophobicContact CB-CD1 4.49Å; D363-I369 HydrophobicContact CB-CG2 4.01Å
364Q93.2Very high94.4Very high171 Ų17138 Ų3880%0.79919%0.194SC*.THydrogen-bonded Turntrans-65.3-13.7176.8-62175.611.800113.5K349K349-Q364 VanDerWaalsContact CE-O 3.24Å; K349-Q364 WeakPolarHBondContact CE-O 3.48Å; K349-Q364 PolarHBondContact NZ-O 2.84Å
365N92.6Very high94.4Very high51 Ų5133.2 Ų33.227%0.27317%0.171SC..THydrogen-bonded Turntrans-106-1-178.3-53-60.4000112.9T121 D363T121-N365 HydrophobicContact CG2-CB 4.28Å; D363-N365 PolarHBondContact O-N 3.12Å; D363-N365 VanDerWaalsContact O-N 3.15Å; D363-N365 VanDerWaalsContact OD1-C 3.26Å; D363-N365 VanDerWaalsContact OD1-CA 3.28Å; D363-N365 WeakPolarHBondContact OD1-CA 3.47Å; D363-N365 WeakPolarHBondContact OD1-CB 3.42Å; D363-N365 PolarHBondContact OD1-N 2.94Å; D363-N365 PolarHBondContact OD2-ND2 2.84Å
366G93.2Very high94.3Very high0 Ų034.2 Ų34.20%018%0.176CC..SBendtrans82.314.3-176.500000115Q127 D363Q127-G366 PolarHBondContact N-O 3.19Å; D363-G366 PolarHBondContact O-N 3.04Å; D363-G366 PolarHBondContact OD1-N 3.34Å
367K93.7Very high94.2Very high66 Ų6635.1 Ų35.129%0.28718%0.18SC..  trans-82.4143.3171.5-62.9-175.1179.6-1780110.7G120 F362 D363 I369G120-K367 WeakPolarHBondContact O-CE 3.41Å; G120-K367 PolarHBondContact O-NZ 2.8Å; F362-K367 CarbonylContact C-O 3.51Å; F362-K367 VanDerWaalsContact CA-O 3.25Å; F362-K367 WeakPolarHBondContact CA-O 3.48Å; D363-K367 PolarHBondContact N-O 2.84Å; D363-K367 PolarHBondContact OD1-N 3.14Å; K367-I369 PolarHBondContact O-N 2.92Å
368R94.2Very high94.1Very high11 Ų1135.6 Ų35.64%0.04218%0.183CC..EExtended strand (participates in β ladder)trans-61.3132.4172-79-69.4-55.9-92.76.2111.1Q127 M128 P130 S357 N359 K361 F362 Y371Q127-R368 WeakPolarHBondContact O-CG 3.22Å; M128-R368 VanDerWaalsContact O-CG 3.31Å; M128-R368 WeakPolarHBondContact O-CG 3.45Å; P130-R368 HydrophobicContact CB-CB 4.24Å; P130-R368 HydrophobicContact CG-CB 4.3Å; P130-R368 HydrophobicContact CG-CG 4.22Å; S357-R368 PolarHBondContact OG-NH1 3.37Å; S357-R368 VanDerWaalsContact OG-NH1 3.09Å; N359-R368 PolarHBondContact O-NH2 3.46Å; K361-R368 WeakPolarHBondContact O-CA 3.47Å; F362-R368 HydrophobicContact CE1-CG 4.33Å; R368-Y371 HydrophobicContact CB-CD1 4Å; R368-Y371 HydrophobicContact CB-CE1 4.45Å; R368-Y371 VanDerWaalsContact NH2-CB 3.32Å; R368-Y371 VanDerWaalsContact O-CE1 3.29Å; R368-Y371 WeakPolarHBondContact O-CE1 3.36Å
369I94.1Very high93.8Very high43 Ų4338.1 Ų38.122%0.22119%0.186CC..EExtended strand (participates in β ladder)trans-130.8164.4169.659.2172.2000109.6K361 D363 K367 Y371K361-I369 HydrophobicContact CB-CG1 4.12Å; K361-I369 HydrophobicContact CD-CD1 4.15Å; K361-I369 HydrophobicContact CD-CG1 4.25Å; K361-I369 HydrophobicContact CG-CD1 4.1Å; K361-I369 HydrophobicContact CG-CG1 3.91Å; K361-I369 PolarHBondContact O-N 3.41Å; D363-I369 HydrophobicContact CB-CD1 4.49Å; D363-I369 HydrophobicContact CB-CG2 4.01Å; K367-I369 PolarHBondContact O-N 2.92Å; I369-Y371 VanDerWaalsContact C-N 3.25Å; I369-Y371 PolarHBondContact O-N 3.44Å
370N92.9Very high93.4Very high78 Ų7842 Ų4242%0.41721%0.211SC..SBendtrans52.543.4-179.8-161.737.2000113.4N359N359-N370 PolarHBondContact ND2-ND2 2.92Å; N359-N370 PolarHBondContact ND2-O 3.44Å
371Y94.1Very high92.9Very high11 Ų1148.4 Ų48.44%0.04325%0.245CC..  trans-103.9155.7175.459.2-89.9000109.9P130 D131 R368 I369 I373 W389P130-Y371 HydrophobicContact CB-CD1 3.88Å; P130-Y371 HydrophobicContact CB-CD2 3.36Å; P130-Y371 HydrophobicContact CB-CE1 3.99Å; P130-Y371 HydrophobicContact CB-CE2 3.43Å; P130-Y371 VanDerWaalsContact CB-CE2 3.43Å; P130-Y371 HydrophobicContact CB-CG 3.59Å; P130-Y371 HydrophobicContact CG-CD2 3.97Å; P130-Y371 HydrophobicContact CG-CE2 4.5Å; P130-Y371 HydrophobicContact CG-CG 3.97Å; D131-Y371 PolarHBondContact O-OH 3.48Å; D131-Y371 VanDerWaalsContact O-OH 3.1Å; R368-Y371 HydrophobicContact CB-CD1 4Å; R368-Y371 HydrophobicContact CB-CE1 4.45Å; R368-Y371 VanDerWaalsContact NH2-CB 3.32Å; R368-Y371 VanDerWaalsContact O-CE1 3.29Å; R368-Y371 WeakPolarHBondContact O-CE1 3.36Å; I369-Y371 VanDerWaalsContact C-N 3.25Å; I369-Y371 PolarHBondContact O-N 3.44Å; Y371-I373 HydrophobicContact CD2-CD1 4.09Å; Y371-I373 HydrophobicContact CD2-CG1 3.92Å; Y371-I373 HydrophobicContact CE2-CD1 3.71Å; Y371-I373 HydrophobicContact CE2-CG1 4.05Å; Y371-W389 HydrophobicContact CE2-CE3 4.19Å; Y371-W389 AromaticContact CE2-CZ3 3.59Å; Y371-W389 HydrophobicContact CE2-CZ3 3.59Å; Y371-W389 AromaticContact CZ-CZ3 3.84Å
372T93.9Very high92.5Very high67 Ų6744.8 Ų44.841%0.41123%0.232SC..EExtended strand (participates in β ladder)trans-118.5130.6178-59.10000109I262 Y388 W389I262-T372 WeakPolarHBondContact CD1-O 3.46Å; T372-Y388 HydrophobicContact CG2-CD2 3.87Å; T372-Y388 HydrophobicContact CG2-CG 4.06Å; T372-W389 WeakPolarHBondContact CA-O 3.31Å
373I95.7Very high92.3Very high0 Ų047.3 Ų47.30%025%0.249CC..EExtended strand (participates in β ladder)trans-111.1123175.4-64.2176.3000108.3L132 A135 L240 F260 I262 Y371 Y388 W389L132-I373 HydrophobicContact CD1-CD1 4.27Å; A135-I373 HydrophobicContact CB-CD1 4Å; L240-I373 HydrophobicContact CD2-CD1 3.94Å; L240-I373 HydrophobicContact CD2-CG1 4.32Å; F260-I373 HydrophobicContact CB-CG2 3.66Å; F260-I373 HydrophobicContact CD1-CG2 3.93Å; F260-I373 HydrophobicContact CG-CG2 4.22Å; I262-I373 HydrophobicContact CD1-CG1 4.34Å; Y371-I373 HydrophobicContact CD2-CD1 4.09Å; Y371-I373 HydrophobicContact CD2-CG1 3.92Å; Y371-I373 HydrophobicContact CE2-CD1 3.71Å; Y371-I373 HydrophobicContact CE2-CG1 4.05Å; I373-Y388 CarbonylContact O-C 3.57Å; I373-Y388 WeakPolarHBondContact O-CA 3.11Å; I373-W389 HydrophobicContact CB-CB 4.46Å; I373-W389 HydrophobicContact CD1-CE3 4.34Å; I373-W389 PolarHBondContact N-O 3.25Å; I373-W389 PolarHBondContact O-N 3.21Å
374N95.3Very high92.1Very high9 Ų952 Ų525%0.04826%0.264CS..EExtended strand (participates in β ladder)trans-79.2135.4175.4-64.8-30.6000110.2F260 Q261 D264 M376 K385F260-N374 WeakPolarHBondContact CA-O 3.45Å; Q261-N374 HydrophobicContact CB-CB 4.38Å; Q261-N374 PolarHBondContact N-O 3.47Å; Q261-N374 WeakPolarHBondContact O-CB 3.5Å; Q261-N374 PolarHBondContact O-N 2.92Å; D264-N374 VanDerWaalsContact CG-ND2 3.3Å; D264-N374 PolarHBondContact OD2-ND2 2.97Å; N374-M376 HydrophobicContact CB-SD 4.37Å; N374-K385 HydrophobicContact CB-CD 4.36Å; N374-K385 HydrophobicContact CB-CG 4.42Å; N374-K385 PolarHBondContact ND2-NZ 3.15Å; N374-K385 WeakPolarHBondContact OD1-CE 3.49Å; N374-K385 PolarHBondContact OD1-NZ 2.76Å
375I95.3Very high92Very high2 Ų247.3 Ų47.31%0.0124%0.241CC..EExtended strand (participates in β ladder)trans-92.5123.7170.5-56.690.4000108.1L139 F260 I386 G387 W389 M395L139-I375 HydrophobicContact CD1-CG2 3.74Å; L139-I375 HydrophobicContact CD2-CG2 4.4Å; F260-I375 HydrophobicContact CD1-CG1 4.41Å; F260-I375 HydrophobicContact CE1-CG1 4.46Å; I375-I386 HydrophobicContact CB-CD1 4.37Å; I375-I386 HydrophobicContact CB-CG1 3.91Å; I375-I386 HydrophobicContact CG2-CD1 3.67Å; I375-I386 HydrophobicContact CG2-CG1 3.7Å; I375-I386 WeakPolarHBondContact O-CG1 3.38Å; I375-I386 PolarHBondContact O-N 3.33Å; I375-G387 PolarHBondContact N-O 2.71Å; I375-W389 HydrophobicContact CD1-CB 4.03Å; I375-M395 HydrophobicContact CB-CE 4.34Å; I375-M395 HydrophobicContact CD1-CE 4.11Å; I375-M395 HydrophobicContact CD1-CG 4Å; I375-M395 HydrophobicContact CD1-SD 4.36Å; I375-M395 HydrophobicContact CG1-CE 4.01Å; I375-M395 HydrophobicContact CG1-SD 4.43Å; I375-M395 HydrophobicContact CG2-CE 4.24Å
376M93.4Very high91.9Very high22 Ų2246.1 Ų46.111%0.10823%0.234CC..EExtended strand (participates in β ladder)trans-112.5142.4-179-56.8-59.6-74.400110.3F242 S258 G259 Q261 N374 P383 R384 K385F242-M376 HydrophobicContact CB-CB 4.48Å; F242-M376 HydrophobicContact CD1-CB 3.43Å; F242-M376 VanDerWaalsContact CD1-CB 3.43Å; F242-M376 HydrophobicContact CD1-CG 4.22Å; F242-M376 HydrophobicContact CE1-CB 3.86Å; F242-M376 HydrophobicContact CG-CB 4.12Å; S258-M376 CarbonylContact C-O 3.58Å; S258-M376 VanDerWaalsContact CA-O 3.3Å; S258-M376 WeakPolarHBondContact CA-O 3.45Å; G259-M376 PolarHBondContact N-O 3.33Å; G259-M376 PolarHBondContact O-N 3.1Å; Q261-M376 HydrophobicContact CB-CG 3.55Å; Q261-M376 HydrophobicContact CB-SD 4.34Å; N374-M376 HydrophobicContact CB-SD 4.37Å; M376-P383 HydrophobicContact CE-CB 4.18Å; M376-R384 WeakPolarHBondContact CA-O 3.35Å; M376-K385 HydrophobicContact CE-CB 4.27Å; M376-K385 WeakPolarHBondContact SD-CA 3.42Å; M376-K385 HydrophobicContact SD-CB 3.67Å; M376-K385 HydrophobicContact SD-CG 4.18Å
377E92.6Very high91.8Very high21 Ų2146.1 Ų46.110%0.09823%0.234CC..EExtended strand (participates in β ladder)trans-123.8138170.6-160.2-171.4164.800109.7V257 K379 R384 I386V257-E377 WeakPolarHBondContact O-CA 3.34Å; E377-K379 VanDerWaalsContact CD-CE 3.43Å; E377-K379 PolarHBondContact O-N 2.73Å; E377-K379 IonicContact OE1-NZ 2.84Å; E377-K379 PolarHBondContact OE1-NZ 3.43Å; E377-K379 WeakPolarHBondContact OE2-CE 3.32Å; E377-K379 IonicContact OE2-NZ 3.7Å; E377-K379 PolarHBondContact OE2-NZ 3.05Å; E377-R384 PolarHBondContact N-O 3.24Å; E377-R384 PolarHBondContact O-N 3.4Å; E377-I386 HydrophobicContact CB-CG2 3.91Å
378L92.4Very high91.9Very high13 Ų1346.3 Ų46.37%0.06823%0.234CC..EExtended strand (participates in β ladder)trans-79.2119.8174.4-173.161.4000109.7F242 L247 I250 Q251 V257F242-L378 HydrophobicContact CE1-CB 4.5Å; F242-L378 HydrophobicContact CZ-CB 4.1Å; L247-L378 HydrophobicContact CB-CD1 4.11Å; L247-L378 HydrophobicContact CB-CD2 4.23Å; L247-L378 HydrophobicContact CD1-CD1 4.34Å; I250-L378 HydrophobicContact CD1-CD2 4.38Å; I250-L378 HydrophobicContact CG1-CD2 3.8Å; Q251-L378 HydrophobicContact CB-CD1 4.49Å; Q251-L378 HydrophobicContact CB-CD2 4.29Å; Q251-L378 HydrophobicContact CG-CD1 4.38Å; V257-L378 HydrophobicContact CB-CB 3.99Å; V257-L378 HydrophobicContact CB-CD2 4.22Å; V257-L378 HydrophobicContact CG2-CD2 4.28Å; V257-L378 PolarHBondContact O-N 2.86Å
379K88.3Confident91.9Very high78 Ų7846.5 Ų46.534%0.33924%0.235SC..EExtended strand (participates in β ladder)trans-115.3174.3173.3-62.5-59.4-174.3-169.80110E377 N381 G382 R384E377-K379 VanDerWaalsContact CD-CE 3.43Å; E377-K379 PolarHBondContact O-N 2.73Å; E377-K379 IonicContact OE1-NZ 2.84Å; E377-K379 PolarHBondContact OE1-NZ 3.43Å; E377-K379 WeakPolarHBondContact OE2-CE 3.32Å; E377-K379 IonicContact OE2-NZ 3.7Å; E377-K379 PolarHBondContact OE2-NZ 3.05Å; K379-N381 VanDerWaalsContact CB-OD1 3.27Å; K379-N381 WeakPolarHBondContact CB-OD1 3.36Å; K379-N381 PolarHBondContact O-N 2.88Å; K379-G382 PolarHBondContact N-O 3.34Å; K379-G382 PolarHBondContact O-N 3.13Å; K379-R384 HydrophobicContact CG-CB 4.41Å
380T85.8Confident91.9Very high106 Ų10644.8 Ų44.865%0.6523%0.226SC*.THydrogen-bonded Turntrans-63-25.8-179.6-47.50000113.3Q251 F252Q251-T380 PolarHBondContact NE2-O 2.8Å; F252-T380 HydrophobicContact CD1-CG2 4.27Å; F252-T380 HydrophobicContact CE1-CG2 3.99Å
381N86.1Confident91.5Very high135 Ų13545.9 Ų45.972%0.72223%0.229SC*.THydrogen-bonded Turntrans-87.9-1.5174.563.1-27.6000113.8K379K379-N381 VanDerWaalsContact CB-OD1 3.27Å; K379-N381 WeakPolarHBondContact CB-OD1 3.36Å; K379-N381 PolarHBondContact O-N 2.88Å
382G87.5Confident91.1Very high8 Ų850.7 Ų50.78%0.08226%0.259CS..EExtended strand (participates in β ladder)trans119.9-169.9-176.800000113K379K379-G382 PolarHBondContact N-O 3.34Å; K379-G382 PolarHBondContact O-N 3.13Å
383P90.6Very high90.8Very high63 Ų6351.9 Ų51.941%0.40926%0.263SS..EExtended strand (participates in β ladder)trans-68.7133177.329.4-34.2000110.6F242 T243 M376F242-P383 HydrophobicContact CD1-CB 4.33Å; F242-P383 HydrophobicContact CE1-CB 4.09Å; T243-P383 HydrophobicContact CG2-CB 3.91Å; T243-P383 HydrophobicContact CG2-CG 3.79Å; M376-P383 HydrophobicContact CE-CB 4.18Å
384R89.4Confident90.5Very high137 Ų13758.3 Ų58.352%0.51729%0.291SS..EExtended strand (participates in β ladder)trans-126.7136.2178-174.3179.3179.3-179.41.4110.5M376 E377 K379M376-R384 WeakPolarHBondContact CA-O 3.35Å; E377-R384 PolarHBondContact N-O 3.24Å; E377-R384 PolarHBondContact O-N 3.4Å; K379-R384 HydrophobicContact CG-CB 4.41Å
385K91.6Very high90.3Very high73 Ų7359.5 Ų59.532%0.31730%0.297SS..EExtended strand (participates in β ladder)trans-71.4124.5171.6-174174.9179.7169.80109.9D264 N374 M376D264-K385 IonicContact OD2-NZ 3.01Å; D264-K385 PolarHBondContact OD2-NZ 2.84Å; N374-K385 HydrophobicContact CB-CD 4.36Å; N374-K385 HydrophobicContact CB-CG 4.42Å; N374-K385 PolarHBondContact ND2-NZ 3.15Å; N374-K385 WeakPolarHBondContact OD1-CE 3.49Å; N374-K385 PolarHBondContact OD1-NZ 2.76Å; M376-K385 HydrophobicContact CE-CB 4.27Å; M376-K385 WeakPolarHBondContact SD-CA 3.42Å; M376-K385 HydrophobicContact SD-CB 3.67Å; M376-K385 HydrophobicContact SD-CG 4.18Å
386I89.9Confident90.1Very high25 Ų2561.7 Ų61.713%0.12831%0.31CS..EExtended strand (participates in β ladder)trans-102.8-16.8176.264.2168.2000112.4Y142 I375 E377 M395 V397 T398Y142-I386 HydrophobicContact CE1-CD1 4.39Å; I375-I386 HydrophobicContact CB-CD1 4.37Å; I375-I386 HydrophobicContact CB-CG1 3.91Å; I375-I386 HydrophobicContact CG2-CD1 3.67Å; I375-I386 HydrophobicContact CG2-CG1 3.7Å; I375-I386 WeakPolarHBondContact O-CG1 3.38Å; I375-I386 PolarHBondContact O-N 3.33Å; E377-I386 HydrophobicContact CB-CG2 3.91Å; I386-M395 HydrophobicContact CD1-CE 4.27Å; I386-V397 WeakPolarHBondContact O-CG1 3.46Å; I386-T398 PolarHBondContact O-N 2.86Å
387G92.1Very high89.7Confident0 Ų063.4 Ų63.40%032%0.322CS..EExtended strand (participates in β ladder)trans171.2-170.1-178.600000112.1I375 V396I375-G387 PolarHBondContact N-O 2.71Å; G387-V396 VanDerWaalsContact CA-O 3.26Å; G387-V396 WeakPolarHBondContact CA-O 3.45Å
388Y94.3Very high88.9Confident70 Ų7064.8 Ų64.828%0.27533%0.332SS..EExtended strand (participates in β ladder)trans-133.9158.3176.568.2-89.6000111.1T372 I373 V396 T398T372-Y388 HydrophobicContact CG2-CD2 3.87Å; T372-Y388 HydrophobicContact CG2-CG 4.06Å; I373-Y388 CarbonylContact O-C 3.57Å; I373-Y388 WeakPolarHBondContact O-CA 3.11Å; Y388-V396 HydrophobicContact CD1-CB 4.44Å; Y388-V396 HydrophobicContact CE1-CB 3.91Å; Y388-V396 HydrophobicContact CE1-CG1 3.99Å; Y388-V396 HydrophobicContact CE2-CB 4.11Å; Y388-V396 HydrophobicContact CE2-CG2 4.22Å; Y388-V396 PolarHBondContact N-O 3.09Å; Y388-V396 PolarHBondContact O-N 2.84Å; Y388-T398 WeakPolarHBondContact CD1-OG1 3.32Å
389W95.7Very high87.1Confident16 Ų1670.9 Ų70.96%0.06136%0.363CS..EExtended strand (participates in β ladder)trans-118.8131173-174.390.8000109.5G134 A135 S138 Y371 T372 I373 I375 E391 K394G134-W389 VanDerWaalsContact C-CE2 3.47Å; G134-W389 PolarHBondContact O-NE1 3.25Å; A135-W389 HydrophobicContact CB-CB 4.1Å; A135-W389 HydrophobicContact CB-CD2 3.68Å; A135-W389 HydrophobicContact CB-CE3 3.91Å; A135-W389 HydrophobicContact CB-CG 3.75Å; S138-W389 PolarHBondContact OG-NE1 2.8Å; Y371-W389 HydrophobicContact CE2-CE3 4.19Å; Y371-W389 AromaticContact CE2-CZ3 3.59Å; Y371-W389 HydrophobicContact CE2-CZ3 3.59Å; Y371-W389 AromaticContact CZ-CZ3 3.84Å; T372-W389 WeakPolarHBondContact CA-O 3.31Å; I373-W389 HydrophobicContact CB-CB 4.46Å; I373-W389 HydrophobicContact CD1-CE3 4.34Å; I373-W389 PolarHBondContact N-O 3.25Å; I373-W389 PolarHBondContact O-N 3.21Å; I375-W389 HydrophobicContact CD1-CB 4.03Å; W389-E391 HydrophobicContact CH2-CB 4.33Å; W389-E391 HydrophobicContact CZ3-CB 4.49Å; W389-K394 VanDerWaalsContact CA-O 3.29Å; W389-K394 WeakPolarHBondContact CA-O 3.36Å
390S92.6Very high85.1Confident7 Ų771.7 Ų71.75%0.04938%0.375CS..EExtended strand (participates in β ladder)trans-123.9151.1173.4175.20000109.1V392 K394S390-V392 PolarHBondContact O-N 3.28Å; S390-V392 WeakPolarHBondContact OG-CG2 3.43Å; S390-K394 PolarHBondContact N-O 3.22Å; S390-K394 VanDerWaalsContact O-CA 3.27Å; S390-K394 WeakPolarHBondContact O-CA 3.29Å; S390-K394 PolarHBondContact O-N 3.37Å
391E85Confident82.7Confident101 Ų10174.3 Ų74.347%0.47238%0.38SS..THydrogen-bonded Turntrans-58.8-33.3178.7-172.1179.1-175.300112.2W389W389-E391 HydrophobicContact CH2-CB 4.33Å; W389-E391 HydrophobicContact CZ3-CB 4.49Å
392V86.6Confident80.1Confident112 Ų11273.9 Ų73.968%0.67938%0.377SS*.THydrogen-bonded Turntrans-89.2-46-179.3-68.60000112.9S390 K394S390-V392 PolarHBondContact O-N 3.28Å; S390-V392 WeakPolarHBondContact OG-CG2 3.43Å; V392-K394 VanDerWaalsContact C-N 3.34Å
393D87.3Confident77.4Confident92 Ų9276.7 Ų76.749%0.49239%0.394SS..THydrogen-bonded Turntrans-86.9-8.8-172.5-55.6-39.6000112.9V396D393-V396 HydrophobicContact CB-CG2 3.83Å
394K89.5Confident74.5Confident134 Ų13479.9 Ų79.958%0.58342%0.418SS*.EExtended strand (participates in β ladder)trans56-141.1-165.8-53.5-177177.7-1740110W389 S390 V392W389-K394 VanDerWaalsContact CA-O 3.29Å; W389-K394 WeakPolarHBondContact CA-O 3.36Å; S390-K394 PolarHBondContact N-O 3.22Å; S390-K394 VanDerWaalsContact O-CA 3.27Å; S390-K394 WeakPolarHBondContact O-CA 3.29Å; S390-K394 PolarHBondContact O-N 3.37Å; V392-K394 VanDerWaalsContact C-N 3.34Å
395M89.8Confident71.5Confident34 Ų3476.8 Ų76.817%0.16743%0.429CS..EExtended strand (participates in β ladder)trans-86.6119.6-178.8-174.6170.1175.300110.8L139 Y142 I375 I386L139-M395 HydrophobicContact CD1-CE 3.77Å; L139-M395 HydrophobicContact CD1-SD 4.02Å; Y142-M395 HydrophobicContact CD1-CE 3.66Å; Y142-M395 HydrophobicContact CD1-SD 4.29Å; Y142-M395 HydrophobicContact CD2-CE 4.11Å; Y142-M395 HydrophobicContact CD2-SD 4.31Å; Y142-M395 HydrophobicContact CE1-CE 4.06Å; Y142-M395 HydrophobicContact CE2-CE 4.49Å; Y142-M395 HydrophobicContact CG-CE 3.69Å; Y142-M395 HydrophobicContact CG-SD 3.81Å; I375-M395 HydrophobicContact CB-CE 4.34Å; I375-M395 HydrophobicContact CD1-CE 4.11Å; I375-M395 HydrophobicContact CD1-CG 4Å; I375-M395 HydrophobicContact CD1-SD 4.36Å; I375-M395 HydrophobicContact CG1-CE 4.01Å; I375-M395 HydrophobicContact CG1-SD 4.43Å; I375-M395 HydrophobicContact CG2-CE 4.24Å; I386-M395 HydrophobicContact CD1-CE 4.27Å
396V91.3Very high68.6Low49 Ų4979.2 Ų79.230%0.29745%0.445SS..EExtended strand (participates in β ladder)trans-113.6120.7174-177.80000108.7G387 Y388 D393 T398G387-V396 VanDerWaalsContact CA-O 3.26Å; G387-V396 WeakPolarHBondContact CA-O 3.45Å; Y388-V396 HydrophobicContact CD1-CB 4.44Å; Y388-V396 HydrophobicContact CE1-CB 3.91Å; Y388-V396 HydrophobicContact CE1-CG1 3.99Å; Y388-V396 HydrophobicContact CE2-CB 4.11Å; Y388-V396 HydrophobicContact CE2-CG2 4.22Å; Y388-V396 PolarHBondContact N-O 3.09Å; Y388-V396 PolarHBondContact O-N 2.84Å; D393-V396 HydrophobicContact CB-CG2 3.83Å; V396-T398 PolarHBondContact O-N 2.9Å
397V85.9Confident65.9Low58 Ų5882.6 Ų82.635%0.35246%0.463SS..EExtended strand (participates in β ladder)trans-78.3114.9176.3-176.20000108.1Y142 I386 L399Y142-V397 HydrophobicContact CD2-CG2 4.26Å; Y142-V397 HydrophobicContact CE2-CG2 3.58Å; I386-V397 WeakPolarHBondContact O-CG1 3.46Å; V397-L399 HydrophobicContact CG1-CG 4.22Å; V397-L399 PolarHBondContact O-N 3.42Å
398T75Confident63.4Low50 Ų5087.1 Ų87.131%0.30749%0.491SS..  trans-88.693.3173.3-32.30000106.8I386 Y388 V396 T400I386-T398 PolarHBondContact O-N 2.86Å; Y388-T398 WeakPolarHBondContact CD1-OG1 3.32Å; V396-T398 PolarHBondContact O-N 2.9Å; T398-T400 WeakPolarHBondContact CG2-OG1 3.3Å; T398-T400 PolarHBondContact O-N 3.09Å
399L55.7Low60.7Low140 Ų14085.2 Ų85.273%0.73349%0.488SS*.  trans-71.360.2163.2-70.7163.5000108.1V397 E401V397-L399 HydrophobicContact CG1-CG 4.22Å; V397-L399 PolarHBondContact O-N 3.42Å; L399-E401 PolarHBondContact O-N 3.41Å
400T44.9Very low58.4Low96 Ų9687 Ų8759%0.58951%0.512SS*.THydrogen-bonded Turntrans-70.9107.4173.6-22.50000107T398T398-T400 WeakPolarHBondContact CG2-OG1 3.3Å; T398-T400 PolarHBondContact O-N 3.09Å
401E36.4Very low56.4Low161 Ų16190.1 Ų90.175%0.75253%0.527SS*.THydrogen-bonded Turntrans64.582.7176.1-57.5-174.2-17400114.2L399 P403L399-E401 PolarHBondContact O-N 3.41Å; E401-P403 VanDerWaalsContact O-CD 3.25Å; E401-P403 WeakPolarHBondContact O-CD 3.46Å
402L31.6Very low54.8Low125 Ų12589.7 Ų89.765%0.65453%0.525SS*.  -38.5112.9121.8-80.1144.7000107.3S404L402-S404 PolarHBondContact O-N 2.95Å
403P30.1Very low53.5Low67 Ų6789.9 Ų89.944%0.43552%0.523SS..  trans-56.3116156.7-7.922.7000103.7E401 G405 D407E401-P403 VanDerWaalsContact O-CD 3.25Å; E401-P403 WeakPolarHBondContact O-CD 3.46Å; P403-G405 PolarHBondContact O-N 3.01Å; P403-D407 WeakPolarHBondContact CD-OD2 3.43Å
404S29.5Very low52.7Low131 Ų13191 Ų9192%0.91652%0.523SS*.THydrogen-bonded Turntrans-44.8105172.7-66.10000108.3L402L402-S404 PolarHBondContact O-N 2.95Å
405G27.3Very low52.5Low72 Ų7287.9 Ų87.974%0.74252%0.515SS*.THydrogen-bonded Turntrans107.97162.200000121.5P403P403-G405 PolarHBondContact O-N 3.01Å
406N31Very low52.6Low123 Ų12386.5 Ų86.566%0.65851%0.509SS*.THydrogen-bonded Turntrans-148.23.8-176.6-113.3-1.3000120.6T408 S409N406-T408 VanDerWaalsContact C-N 3.31Å; N406-T408 PolarHBondContact O-N 3.4Å; N406-S409 WeakPolarHBondContact O-CB 3.33Å; N406-S409 PolarHBondContact O-N 3.17Å; N406-S409 PolarHBondContact O-OG 2.94Å
407D32.5Very low52.7Low97 Ų9785.6 Ų85.652%0.51950%0.504SS..THydrogen-bonded Turntrans-91.835.9-174.5-78.10.4000115.8P403 S409P403-D407 WeakPolarHBondContact CD-OD2 3.43Å; D407-S409 PolarHBondContact OD1-OG 2.83Å
408T39.3Very low53.2Low94 Ų9482.9 Ų82.958%0.57749%0.487SS*.THydrogen-bonded Turntrans-64.5-17137.950.60000110.8N406 G410 L411 E412N406-T408 VanDerWaalsContact C-N 3.31Å; N406-T408 PolarHBondContact O-N 3.4Å; T408-G410 VanDerWaalsContact C-N 3.27Å; T408-G410 PolarHBondContact O-N 3.17Å; T408-L411 PolarHBondContact O-N 3.22Å; T408-L411 VanDerWaalsContact O-N 3.14Å; T408-E412 WeakPolarHBondContact CB-OE1 3.13Å; T408-E412 WeakPolarHBondContact O-CG 3.33Å; T408-E412 PolarHBondContact O-N 3.16Å; T408-E412 PolarHBondContact OG1-OE1 3.46Å
409S37.8Very low54.3Low30 Ų3080.5 Ų80.521%0.2147%0.472CS..Hα-helixtrans-57.9-27.718075.20000115.3N406 D407 L411 E412 N413N406-S409 WeakPolarHBondContact O-CB 3.33Å; N406-S409 PolarHBondContact O-N 3.17Å; N406-S409 PolarHBondContact O-OG 2.94Å; D407-S409 PolarHBondContact OD1-OG 2.83Å; S409-L411 PolarHBondContact O-N 3.25Å; S409-E412 PolarHBondContact O-N 3.4Å; S409-N413 PolarHBondContact O-N 3.11Å
410G47.8Very low56.2Low55 Ų5573.9 Ų73.957%0.56744%0.438SS*.Hα-helixtrans-63.6-30.8178.300000112.8T408T408-G410 VanDerWaalsContact C-N 3.27Å; T408-G410 PolarHBondContact O-N 3.17Å
411L50.3Low58.6Low71 Ų7170 Ų7037%0.37241%0.413SS..Hα-helixtrans-86.2-37.3171.6-156.276.7000111.3T408 S409 N413 K414 L763T408-L411 PolarHBondContact O-N 3.22Å; T408-L411 VanDerWaalsContact O-N 3.14Å; S409-L411 PolarHBondContact O-N 3.25Å; L411-N413 VanDerWaalsContact C-N 3.31Å; L411-N413 PolarHBondContact O-N 3.15Å; L411-K414 PolarHBondContact O-N 3.35Å; L411-L763 HydrophobicContact CD1-CD2 4.15Å; L411-L763 HydrophobicContact CD2-CD2 4.19Å
412E51.3Low61.3Low92 Ų9266.5 Ų66.543%0.4340%0.399SS..Hα-helixtrans-65.6-30.9-177.4-64.9170.5-168.100113.1T408 S409T408-E412 WeakPolarHBondContact CB-OE1 3.13Å; T408-E412 WeakPolarHBondContact O-CG 3.33Å; T408-E412 PolarHBondContact O-N 3.16Å; T408-E412 PolarHBondContact OG1-OE1 3.46Å; S409-E412 PolarHBondContact O-N 3.4Å
413N59.9Low64.1Low117 Ų11761.6 Ų61.663%0.62637%0.373SS*.SBendtrans-91.3-14.1178.7-81.8-28.8000114.6S409 L411 T415S409-N413 PolarHBondContact O-N 3.11Å; L411-N413 VanDerWaalsContact C-N 3.31Å; L411-N413 PolarHBondContact O-N 3.15Å; N413-T415 PolarHBondContact O-N 3.36Å
414K69.6Low67.1Low114 Ų11460.8 Ų60.850%0.49637%0.369SS..SBendtrans-84.5116.1-178.7-167.5174.6-179.21800110.2L411 V416L411-K414 PolarHBondContact O-N 3.35Å; K414-V416 PolarHBondContact O-N 3.48Å; K414-V416 VanDerWaalsContact O-N 3.11Å
415T86.5Confident70.2Confident69 Ų6954.6 Ų54.642%0.42333%0.325SS..  trans-68.2109.9171.8-52.60000109.9N413 K460 K462N413-T415 PolarHBondContact O-N 3.36Å; T415-K460 CarbonylContact C-O 3.59Å; T415-K460 WeakPolarHBondContact CA-O 3.4Å; T415-K462 HydrophobicContact CG2-CB 3.78Å
416V91.4Very high73.5Confident6 Ų651.1 Ų51.14%0.03629%0.29CS..EExtended strand (participates in β ladder)trans-73125.8177.5-179.50000109.5K414 V418 F459 K460 Y461 K462 D494 I495 L763K414-V416 PolarHBondContact O-N 3.48Å; K414-V416 VanDerWaalsContact O-N 3.11Å; V416-V418 HydrophobicContact CG1-CG2 4.41Å; V416-V418 PolarHBondContact O-N 3.1Å; V416-F459 HydrophobicContact CB-CD2 3.83Å; V416-F459 HydrophobicContact CB-CE2 4.09Å; V416-F459 HydrophobicContact CG1-CD2 4.45Å; V416-F459 HydrophobicContact CG1-CE2 4.28Å; V416-F459 HydrophobicContact CG2-CB 4Å; V416-F459 HydrophobicContact CG2-CD2 3.53Å; V416-F459 HydrophobicContact CG2-CE2 4.16Å; V416-F459 HydrophobicContact CG2-CG 3.84Å; V416-K460 PolarHBondContact N-O 3.11Å; V416-Y461 CarbonylContact O-C 3.01Å; V416-Y461 VanDerWaalsContact O-CA 3.3Å; V416-Y461 WeakPolarHBondContact O-CA 3Å; V416-K462 PolarHBondContact O-N 2.88Å; V416-D494 HydrophobicContact CG1-CB 3.75Å; V416-I495 HydrophobicContact CG1-CB 4.41Å; V416-I495 HydrophobicContact CG1-CG2 3.61Å; V416-L763 HydrophobicContact CG1-CD1 4.11Å; V416-L763 HydrophobicContact CG2-CD1 4.5Å
417V93.9Very high76.6Confident30 Ų3045.4 Ų45.418%0.18226%0.259CS..EExtended strand (participates in β ladder)trans-82.5107.7176.3-179.40000108.7T464 A493 D494 I495V417-T464 HydrophobicContact CG1-CG2 3.89Å; V417-T464 WeakPolarHBondContact CG1-OG1 3.33Å; V417-A493 HydrophobicContact CG1-CB 4.15Å; V417-D494 PolarHBondContact N-OD2 3.24Å; V417-D494 PolarHBondContact O-N 3.01Å; V417-I495 PolarHBondContact O-N 2.72Å
418V96.5Very high79.5Confident0 Ų042.5 Ų42.50%024%0.243CC..EExtended strand (participates in β ladder)trans-96.9105.8-179.6-178.80000108.5V416 Y461 K462 L463 T464 I495 I497V416-V418 HydrophobicContact CG1-CG2 4.41Å; V416-V418 PolarHBondContact O-N 3.1Å; V418-Y461 HydrophobicContact CG2-CD2 4.19Å; V418-Y461 HydrophobicContact CG2-CG 4.37Å; V418-K462 PolarHBondContact N-O 3.16Å; V418-L463 HydrophobicContact CB-CD2 4.02Å; V418-L463 HydrophobicContact CG1-CD2 3.84Å; V418-T464 PolarHBondContact O-N 2.84Å; V418-T464 PolarHBondContact O-OG1 3.14Å; V418-I495 CarbonylContact C-O 3.57Å; V418-I495 WeakPolarHBondContact CA-O 3.31Å; V418-I495 HydrophobicContact CB-CG2 4.1Å; V418-I495 HydrophobicContact CG1-CG2 4.23Å; V418-I495 HydrophobicContact CG2-CG2 3.58Å; V418-I497 HydrophobicContact CG1-CB 3.97Å; V418-I497 HydrophobicContact CG1-CD1 4.15Å; V418-I497 HydrophobicContact CG1-CG1 4Å
419T97Very high82.1Confident0 Ų041.4 Ų41.40%023%0.232CC..EExtended strand (participates in β ladder)trans-80.5138.6173.7-171.60000111.3T464 M484 E487 L488 A493 I495 A496 I497T419-T464 WeakPolarHBondContact CA-O 3.43Å; T419-M484 HydrophobicContact CG2-CB 4.12Å; T419-M484 HydrophobicContact CG2-CG 4.27Å; T419-E487 WeakPolarHBondContact CB-OE2 3.16Å; T419-E487 PolarHBondContact OG1-OE2 3.46Å; T419-L488 HydrophobicContact CG2-CD2 4.31Å; T419-A493 HydrophobicContact CG2-CB 3.65Å; T419-I495 PolarHBondContact N-O 3.11Å; T419-A496 HydrophobicContact CG2-CB 3.53Å; T419-A496 WeakPolarHBondContact O-CA 3.49Å; T419-I497 PolarHBondContact O-N 2.86Å
420T96.5Very high84.8Confident1 Ų142 Ų421%0.00623%0.231CC..EExtended strand (participates in β ladder)trans-152.9173.9178.3-159.40000111.4V427 T464 I465 V466 I497T420-V427 HydrophobicContact CG2-CG1 4.22Å; T420-V427 HydrophobicContact CG2-CG2 3.94Å; T420-V427 WeakPolarHBondContact OG1-CG2 3.36Å; T420-T464 PolarHBondContact N-O 3.39Å; T420-I465 HydrophobicContact CG2-CD1 3.83Å; T420-I465 WeakPolarHBondContact O-CA 3.45Å; T420-V466 PolarHBondContact O-N 2.9Å; T420-I497 WeakPolarHBondContact CB-O 2.86Å; T420-I497 PolarHBondContact OG1-O 3.05Å
421I94Very high86.8Confident15 Ų1549.5 Ų49.58%0.07725%0.248CC..  trans-124.7143.2-177.8-169.7168.5000110.3E423 V427 V466 G469 Y471 M484 P499I421-E423 PolarHBondContact O-N 3.25Å; I421-E423 VanDerWaalsContact O-N 3.13Å; I421-V427 WeakPolarHBondContact O-CB 3.35Å; I421-V466 HydrophobicContact CB-CG1 4.11Å; I421-V466 HydrophobicContact CD1-CG1 4.38Å; I421-V466 HydrophobicContact CG1-CG1 4.08Å; I421-G469 WeakPolarHBondContact CD1-O 3.44Å; I421-Y471 HydrophobicContact CD1-CE1 4.32Å; I421-Y471 HydrophobicContact CD1-CE2 4.46Å; I421-Y471 HydrophobicContact CG2-CE1 3.89Å; I421-M484 HydrophobicContact CB-CE 4.16Å; I421-M484 HydrophobicContact CB-SD 4.18Å; I421-M484 HydrophobicContact CG2-CE 3.92Å; I421-M484 HydrophobicContact CG2-SD 4.33Å; I421-P499 HydrophobicContact CG2-CG 4.33Å
422L93.2Very high88.8Confident87 Ų8749.8 Ų49.846%0.45525%0.25SC..  trans-74.3100.3175.5-67.2177.5000110.2V427 M429 Y442 I465L422-V427 HydrophobicContact CD2-CG1 4.01Å; L422-M429 HydrophobicContact CD2-CG 4.33Å; L422-M429 HydrophobicContact CD2-SD 4.23Å; L422-Y442 HydrophobicContact CD2-CD1 4.33Å; L422-Y442 HydrophobicContact CD2-CE1 4.33Å; L422-I465 HydrophobicContact CD2-CD1 3.83Å; L422-I465 HydrophobicContact CD2-CG1 4.47Å; L422-I465 HydrophobicContact CG-CD1 4.02Å; L422-I465 HydrophobicContact CG-CG1 4.38Å; L422-I465 HydrophobicContact CG-CG2 4.24Å
423E91.3Very high90.7Very high23 Ų2348.6 Ų48.611%0.10724%0.244CC..BIsolated β-bridgetrans-145.9127.1174.2-167.9174.4-128.500110.1I421 Y426 V427 Y471 T707 M729I421-E423 PolarHBondContact O-N 3.25Å; I421-E423 VanDerWaalsContact O-N 3.13Å; E423-Y426 HydrophobicContact CB-CD2 4.19Å; E423-Y426 HydrophobicContact CG-CD2 4.16Å; E423-Y426 WeakPolarHBondContact O-CA 3.48Å; E423-Y426 WeakPolarHBondContact O-CB 3.43Å; E423-Y426 PolarHBondContact O-N 2.96Å; E423-V427 CarbonylContact C-O 3.48Å; E423-V427 PolarHBondContact N-O 3.34Å; E423-V427 PolarHBondContact O-N 3.19Å; E423-Y471 PolarHBondContact OE1-OH 3.04Å; E423-Y471 VanDerWaalsContact OE1-OH 3.09Å; E423-Y471 PolarHBondContact OE2-OH 2.55Å; E423-T707 PolarHBondContact OE1-OG1 2.79Å; E423-M729 HydrophobicContact CG-CE 4.42Å
424S92.8Very high92.1Very high49 Ų4951.2 Ų51.234%0.34325%0.253SS..THydrogen-bonded Turntrans-76.6136.3178.3-53.60000111.2M428 M729S424-M428 WeakPolarHBondContact OG-CG 3.44Å; S424-M428 PolarHBondContact OG-SD 3.06Å; S424-M729 VanDerWaalsContact O-SD 3.36Å
425P94.8Very high93.1Very high1 Ų153.6 Ų53.61%0.00627%0.268CS..THydrogen-bonded Turncis-97.117.21.838.5-33000113.6M428 G444 Y445 Y732 W787 W788P425-M428 HydrophobicContact CB-CE 4.44Å; P425-G444 CarbonylContact O-C 3.53Å; P425-G444 VanDerWaalsContact O-CA 3.29Å; P425-G444 WeakPolarHBondContact O-CA 3.21Å; P425-Y445 PolarHBondContact O-N 2.97Å; P425-Y732 HydrophobicContact CB-CD2 3.96Å; P425-Y732 HydrophobicContact CB-CE2 3.51Å; P425-Y732 HydrophobicContact CG-CD1 4.47Å; P425-Y732 HydrophobicContact CG-CD2 3.53Å; P425-Y732 HydrophobicContact CG-CE2 3.66Å; P425-Y732 HydrophobicContact CG-CG 3.96Å; P425-W787 HydrophobicContact CB-CB 4.25Å; P425-W787 HydrophobicContact CB-CE3 4.5Å; P425-W787 HydrophobicContact CG-CB 4.46Å; P425-W788 HydrophobicContact CG-CD2 4.02Å; P425-W788 HydrophobicContact CG-CE3 4.02Å; P425-W788 HydrophobicContact CG-CH2 3.73Å; P425-W788 HydrophobicContact CG-CZ2 3.71Å; P425-W788 HydrophobicContact CG-CZ3 3.89Å
426Y95.4Very high93.3Very high0 Ų052.6 Ų52.60%026%0.259CS..THydrogen-bonded Turntrans-70.4-55.3-176.9-55.1-75.7000112.5E423 G444 Y445 C446 P499 T728 Y753 W788E423-Y426 HydrophobicContact CB-CD2 4.19Å; E423-Y426 HydrophobicContact CG-CD2 4.16Å; E423-Y426 WeakPolarHBondContact O-CA 3.48Å; E423-Y426 WeakPolarHBondContact O-CB 3.43Å; E423-Y426 PolarHBondContact O-N 2.96Å; Y426-G444 CarbonylContact O-C 3.52Å; Y426-G444 VanDerWaalsContact O-CA 3.28Å; Y426-G444 WeakPolarHBondContact O-CA 3.07Å; Y426-Y445 HydrophobicContact CD1-CD1 4.42Å; Y426-Y445 PolarHBondContact O-N 3.3Å; Y426-C446 WeakPolarHBondContact O-CB 3.3Å; Y426-C446 PolarHBondContact O-N 2.97Å; Y426-P499 HydrophobicContact CD1-CB 4.04Å; Y426-P499 HydrophobicContact CD1-CG 4.25Å; Y426-P499 HydrophobicContact CD2-CB 3.98Å; Y426-P499 HydrophobicContact CD2-CG 3.63Å; Y426-P499 HydrophobicContact CE1-CB 3.94Å; Y426-P499 HydrophobicContact CE2-CB 3.85Å; Y426-P499 HydrophobicContact CE2-CG 3.96Å; Y426-P499 HydrophobicContact CG-CB 4.06Å; Y426-P499 HydrophobicContact CG-CG 3.78Å; Y426-T728 WeakPolarHBondContact OH-CB 3.48Å; Y426-T728 PolarHBondContact OH-OG1 3.13Å; Y426-Y753 HydrophobicContact CE1-CD2 4.45Å; Y426-Y753 AromaticContact CE1-CE2 3.87Å; Y426-Y753 HydrophobicContact CE1-CE2 3.87Å; Y426-Y753 AromaticContact CZ-CE2 3.81Å; Y426-Y753 WeakPolarHBondContact OH-CE2 3.49Å; Y426-Y753 PolarHBondContact OH-OH 3.4Å; Y426-W788 AromaticContact CD1-CH2 3.98Å; Y426-W788 HydrophobicContact CD1-CH2 3.98Å; Y426-W788 AromaticContact CE1-CH2 3.53Å; Y426-W788 HydrophobicContact CE1-CH2 3.53Å; Y426-W788 AromaticContact CE1-CZ2 3.78Å; Y426-W788 HydrophobicContact CE1-CZ2 3.78Å; Y426-W788 AromaticContact CZ-CZ2 3.88Å
427V96.1Very high93.3Very high2 Ų260.7 Ų60.71%0.01230%0.297CS..BIsolated β-bridgetrans-141.7120.4175.3-1730000108.8T420 I421 L422 E423 Y442 C446 V447T420-V427 HydrophobicContact CG2-CG1 4.22Å; T420-V427 HydrophobicContact CG2-CG2 3.94Å; T420-V427 WeakPolarHBondContact OG1-CG2 3.36Å; I421-V427 WeakPolarHBondContact O-CB 3.35Å; L422-V427 HydrophobicContact CD2-CG1 4.01Å; E423-V427 CarbonylContact C-O 3.48Å; E423-V427 PolarHBondContact N-O 3.34Å; E423-V427 PolarHBondContact O-N 3.19Å; V427-Y442 HydrophobicContact CG1-CD1 4.15Å; V427-Y442 HydrophobicContact CG1-CG 4.37Å; V427-C446 HydrophobicContact CG2-CB 3.74Å; V427-V447 HydrophobicContact CG1-CG2 4.21Å; V427-V447 HydrophobicContact CG2-CG2 4.38Å
428M94.4Very high93.1Very high36 Ų3660.9 Ų60.918%0.17731%0.305CS..EExtended strand (participates in β ladder)trans-128.2154.7179.8-59.9-177.8-68.800109S424 P425 Y442 E443 W787S424-M428 WeakPolarHBondContact OG-CG 3.44Å; S424-M428 PolarHBondContact OG-SD 3.06Å; P425-M428 HydrophobicContact CB-CE 4.44Å; M428-Y442 CarbonylContact O-C 3.59Å; M428-Y442 WeakPolarHBondContact O-CA 3.49Å; M428-E443 WeakPolarHBondContact CA-O 3.06Å; M428-E443 HydrophobicContact CB-CG 4.23Å; M428-E443 HydrophobicContact CE-CG 4.5Å; M428-E443 PolarHBondContact N-O 3Å; M428-E443 PolarHBondContact O-N 3.48Å; M428-W787 HydrophobicContact CE-CE3 3.97Å; M428-W787 HydrophobicContact CE-CZ3 3.53Å
429M93.6Very high93Very high71 Ų7162.7 Ų62.735%0.3532%0.315SS..EExtended strand (participates in β ladder)trans-78.8132.1169.2-62.9-65-72.100108.7L422 H433 Y442L422-M429 HydrophobicContact CD2-CG 4.33Å; L422-M429 HydrophobicContact CD2-SD 4.23Å; M429-H433 HydrophobicContact CE-CB 3.66Å; M429-Y442 HydrophobicContact CE-CE1 4.39Å; M429-Y442 HydrophobicContact SD-CD1 3.55Å; M429-Y442 VanDerWaalsContact SD-CD1 3.55Å; M429-Y442 HydrophobicContact SD-CE1 3.35Å; M429-Y442 WeakPolarHBondContact SD-CE1 3.43Å
430K93.7Very high92.8Very high44 Ų4468.1 Ų68.119%0.19134%0.34CS..  trans-62.5150.5169.5-69.7-169-170.1159.60109.6N432 H433 L436 E440 R441 Y442 E443K430-N432 PolarHBondContact O-N 3.18Å; K430-N432 VanDerWaalsContact O-N 3.16Å; K430-H433 VanDerWaalsContact O-CB 3.31Å; K430-H433 WeakPolarHBondContact O-CB 3Å; K430-H433 PolarHBondContact O-CD2 3.18Å; K430-H433 VanDerWaalsContact O-CD2 3.25Å; K430-H433 PolarHBondContact O-N 3.33Å; K430-H433 VanDerWaalsContact O-N 3.1Å; K430-L436 HydrophobicContact CD-CD1 3.81Å; K430-E440 WeakPolarHBondContact CD-O 3.36Å; K430-E440 WeakPolarHBondContact CE-O 3.16Å; K430-E440 PolarHBondContact NZ-O 3.14Å; K430-E440 IonicContact NZ-OE2 2.76Å; K430-E440 PolarHBondContact NZ-OE2 3.25Å; K430-R441 PolarHBondContact N-O 3.26Å; K430-Y442 WeakPolarHBondContact CE-O 3.34Å; K430-E443 HydrophobicContact CD-CB 4.49Å; K430-E443 HydrophobicContact CG-CB 3.76Å; K430-E443 HydrophobicContact CG-CG 3.79Å
431K90.6Very high92.7Very high212 Ų21272 Ų7292%0.92235%0.354SS*.THydrogen-bonded Turntrans-58.5-30.5178.6-66.4-176.5179.8179.20113.5
432N93Very high92.8Very high76 Ų7672.2 Ų72.241%0.40635%0.354SS..THydrogen-bonded Turntrans-103.131179.161.1-29.4000112.6K430 E434 M435 L436K430-N432 PolarHBondContact O-N 3.18Å; K430-N432 VanDerWaalsContact O-N 3.16Å; N432-E434 PolarHBondContact O-N 3.36Å; N432-E434 VanDerWaalsContact O-N 3.12Å; N432-M435 HydrophobicContact CB-SD 4.46Å; N432-M435 PolarHBondContact O-N 2.81Å; N432-L436 PolarHBondContact O-N 2.92Å
433H89.9Confident92.9Very high67 Ų6770.8 Ų70.831%0.3135%0.346SS..THydrogen-bonded Turntrans-60.8-21.3-176.468.678.5000114.6M429 K430 L436 R441M429-H433 HydrophobicContact CE-CB 3.66Å; K430-H433 VanDerWaalsContact O-CB 3.31Å; K430-H433 WeakPolarHBondContact O-CB 3Å; K430-H433 PolarHBondContact O-CD2 3.18Å; K430-H433 VanDerWaalsContact O-CD2 3.25Å; K430-H433 PolarHBondContact O-N 3.33Å; K430-H433 VanDerWaalsContact O-N 3.1Å; H433-L436 VanDerWaalsContact O-O 3.1Å; H433-R441 HydrophobicContact CB-CB 4.22Å; H433-R441 WeakPolarHBondContact O-CG 3.1Å
434E89.7Confident93.1Very high173 Ų17369.7 Ų69.781%0.80834%0.34SS*.THydrogen-bonded Turntrans-75-26.5176.5-60.6-175.5165.200112.4N432N432-E434 PolarHBondContact O-N 3.36Å; N432-E434 VanDerWaalsContact O-N 3.12Å
435M91.1Very high93.3Very high164 Ų16467.4 Ų67.481%0.80832%0.324SS*.THydrogen-bonded Turntrans-88.9-9.4178.6-59.8178.5-175.100112.9N432N432-M435 HydrophobicContact CB-SD 4.46Å; N432-M435 PolarHBondContact O-N 2.81Å
436L91.5Very high93.4Very high47 Ų4767.5 Ų67.525%0.24633%0.325CS..  trans-111.6148.7-176.3-61.7175.9000109.4K430 N432 H433 E440 R441K430-L436 HydrophobicContact CD-CD1 3.81Å; N432-L436 PolarHBondContact O-N 2.92Å; H433-L436 VanDerWaalsContact O-O 3.1Å; L436-E440 HydrophobicContact CB-CB 4.27Å; L436-E440 HydrophobicContact CD1-CB 4.41Å; L436-E440 WeakPolarHBondContact CD1-O 3.08Å; L436-R441 HydrophobicContact CB-CG 4.02Å; L436-R441 WeakPolarHBondContact O-CD 3.5Å; L436-R441 WeakPolarHBondContact O-CG 3.25Å
437E89.7Confident93.5Very high177 Ų17768.3 Ų68.383%0.82733%0.33SS*.  trans-116.5155.3177.2-67.4-164.8164.500112N439E437-N439 PolarHBondContact O-N 2.92Å
438G90.8Very high93.5Very high34 Ų3470.1 Ų70.135%0.35134%0.339SS..G310 helixtrans67.4-131.7174.400000114E440 R441G438-E440 VanDerWaalsContact C-N 3.34Å; G438-R441 PolarHBondContact O-NE 3.37Å; G438-R441 PolarHBondContact O-NH2 2.96Å
439N93.4Very high93.6Very high38 Ų3868.4 Ų68.420%0.20333%0.331CS..G310 helixtrans-72.5-27.6-175.2-64.2-17.9000112.5E437 R441 Y442 Y461 K462 L463E437-N439 PolarHBondContact O-N 2.92Å; N439-R441 PolarHBondContact O-N 3.14Å; N439-R441 VanDerWaalsContact O-N 3.11Å; N439-Y442 PolarHBondContact O-N 2.85Å; N439-Y442 VanDerWaalsContact O-N 3.14Å; N439-Y461 PolarHBondContact ND2-O 2.94Å; N439-K462 WeakPolarHBondContact OD1-CA 3.31Å; N439-L463 HydrophobicContact CB-CD1 4.22Å; N439-L463 HydrophobicContact CB-CG 4.46Å; N439-L463 PolarHBondContact OD1-N 2.66Å
440E93.4Very high93.7Very high113 Ų11365 Ų6553%0.52831%0.314SS..G310 helixtrans-67-14-175.6-73.2-56.1142.800113.8K430 L436 G438 Y442K430-E440 WeakPolarHBondContact CD-O 3.36Å; K430-E440 WeakPolarHBondContact CE-O 3.16Å; K430-E440 PolarHBondContact NZ-O 3.14Å; K430-E440 IonicContact NZ-OE2 2.76Å; K430-E440 PolarHBondContact NZ-OE2 3.25Å; L436-E440 HydrophobicContact CB-CB 4.27Å; L436-E440 HydrophobicContact CD1-CB 4.41Å; L436-E440 WeakPolarHBondContact CD1-O 3.08Å; G438-E440 VanDerWaalsContact C-N 3.34Å; E440-Y442 PolarHBondContact O-N 3.34Å
441R94.1Very high93.8Very high82 Ų8265 Ų6531%0.30932%0.322SS..G310 helixtrans-68.1-22.6175.3-63.4-180-63.6171.67.4113K430 H433 L436 G438 N439K430-R441 PolarHBondContact N-O 3.26Å; H433-R441 HydrophobicContact CB-CB 4.22Å; H433-R441 WeakPolarHBondContact O-CG 3.1Å; L436-R441 HydrophobicContact CB-CG 4.02Å; L436-R441 WeakPolarHBondContact O-CD 3.5Å; L436-R441 WeakPolarHBondContact O-CG 3.25Å; G438-R441 PolarHBondContact O-NE 3.37Å; G438-R441 PolarHBondContact O-NH2 2.96Å; N439-R441 PolarHBondContact O-N 3.14Å; N439-R441 VanDerWaalsContact O-N 3.11Å
442Y96.2Very high94Very high20 Ų2057.1 Ų57.18%0.07829%0.288CS..EExtended strand (participates in β ladder)trans-103148.5-175.9-52.1-69.8000110.9L422 V427 M428 M429 K430 N439 E440 L463 I465L422-Y442 HydrophobicContact CD2-CD1 4.33Å; L422-Y442 HydrophobicContact CD2-CE1 4.33Å; V427-Y442 HydrophobicContact CG1-CD1 4.15Å; V427-Y442 HydrophobicContact CG1-CG 4.37Å; M428-Y442 CarbonylContact O-C 3.59Å; M428-Y442 WeakPolarHBondContact O-CA 3.49Å; M429-Y442 HydrophobicContact CE-CE1 4.39Å; M429-Y442 HydrophobicContact SD-CD1 3.55Å; M429-Y442 VanDerWaalsContact SD-CD1 3.55Å; M429-Y442 HydrophobicContact SD-CE1 3.35Å; M429-Y442 WeakPolarHBondContact SD-CE1 3.43Å; K430-Y442 WeakPolarHBondContact CE-O 3.34Å; N439-Y442 PolarHBondContact O-N 2.85Å; N439-Y442 VanDerWaalsContact O-N 3.14Å; E440-Y442 PolarHBondContact O-N 3.34Å; Y442-L463 HydrophobicContact CD2-CB 3.87Å; Y442-L463 HydrophobicContact CD2-CD1 3.84Å; Y442-L463 HydrophobicContact CE2-CB 4.01Å; Y442-L463 HydrophobicContact CG-CD1 4.38Å; Y442-I465 HydrophobicContact CD1-CD1 4.38Å; Y442-I465 HydrophobicContact CE1-CD1 3.78Å; Y442-I465 HydrophobicContact CE1-CG1 3.95Å
443E95.7Very high94.1Very high58 Ų5853.5 Ų53.527%0.27127%0.269SS..EExtended strand (participates in β ladder)trans-141.5150.9170.666.4174.1168.700110.4M428 K430 W787M428-E443 WeakPolarHBondContact CA-O 3.06Å; M428-E443 HydrophobicContact CB-CG 4.23Å; M428-E443 HydrophobicContact CE-CG 4.5Å; M428-E443 PolarHBondContact N-O 3Å; M428-E443 PolarHBondContact O-N 3.48Å; K430-E443 HydrophobicContact CD-CB 4.49Å; K430-E443 HydrophobicContact CG-CB 3.76Å; K430-E443 HydrophobicContact CG-CG 3.79Å; E443-W787 HydrophobicContact CB-CH2 4.08Å; E443-W787 HydrophobicContact CG-CH2 4.36Å
444G95.4Very high94.2Very high0 Ų050.7 Ų50.70%026%0.258CS..SBendtrans148.5178.8176.700000113P425 Y426 C446 V447 D448 W787P425-G444 CarbonylContact O-C 3.53Å; P425-G444 VanDerWaalsContact O-CA 3.29Å; P425-G444 WeakPolarHBondContact O-CA 3.21Å; Y426-G444 CarbonylContact O-C 3.52Å; Y426-G444 VanDerWaalsContact O-CA 3.28Å; Y426-G444 WeakPolarHBondContact O-CA 3.07Å; G444-C446 PolarHBondContact O-N 3.32Å; G444-V447 PolarHBondContact O-N 3.32Å; G444-D448 PolarHBondContact O-N 3.4Å; G444-W787 VanDerWaalsContact CA-CH2 3.45Å; G444-W787 VanDerWaalsContact CA-CZ2 3.45Å; G444-W787 VanDerWaalsContact N-CH2 3.28Å
445Y96.8Very high94.3Very high1 Ų150 Ų500%0.00425%0.252CS..Hα-helixtrans-57.8-45.2-179.7178.8-86.9000112.6P425 Y426 V447 D448 L449 F516 M517 L783 K784 W788P425-Y445 PolarHBondContact O-N 2.97Å; Y426-Y445 HydrophobicContact CD1-CD1 4.42Å; Y426-Y445 PolarHBondContact O-N 3.3Å; Y445-V447 VanDerWaalsContact C-N 3.3Å; Y445-V447 PolarHBondContact O-N 3.44Å; Y445-D448 PolarHBondContact O-N 3.15Å; Y445-L449 HydrophobicContact CE1-CD2 4.12Å; Y445-L449 VanDerWaalsContact O-CB 3.31Å; Y445-L449 WeakPolarHBondContact O-CB 3.48Å; Y445-L449 PolarHBondContact O-N 3.28Å; Y445-F516 HydrophobicContact CD1-CE2 4.49Å; Y445-F516 AromaticContact CE1-CD2 3.92Å; Y445-F516 HydrophobicContact CE1-CD2 3.92Å; Y445-F516 AromaticContact CE1-CE2 3.58Å; Y445-F516 HydrophobicContact CE1-CE2 3.58Å; Y445-M517 HydrophobicContact CD2-CE 4.42Å; Y445-M517 HydrophobicContact CE1-CE 3.93Å; Y445-M517 HydrophobicContact CE2-CE 3.78Å; Y445-L783 HydrophobicContact CD2-CB 3.86Å; Y445-L783 HydrophobicContact CE2-CB 3.56Å; Y445-K784 HydrophobicContact CE2-CB 4.4Å; Y445-W788 HydrophobicContact CD2-CH2 4.37Å; Y445-W788 AromaticContact CD2-CZ3 3.63Å; Y445-W788 HydrophobicContact CD2-CZ3 3.63Å; Y445-W788 HydrophobicContact CE2-CZ3 4.36Å; Y445-W788 HydrophobicContact CG-CH2 4.2Å; Y445-W788 AromaticContact CG-CZ3 3.82Å; Y445-W788 HydrophobicContact CG-CZ3 3.82Å
446C96.7Very high94.3Very high2 Ų245.2 Ų45.21%0.01423%0.227CC..Hα-helixtrans-72-25.5-179.9-70.90000112.4Y426 V427 G444 A450 I497Y426-C446 WeakPolarHBondContact O-CB 3.3Å; Y426-C446 PolarHBondContact O-N 2.97Å; V427-C446 HydrophobicContact CG2-CB 3.74Å; G444-C446 PolarHBondContact O-N 3.32Å; C446-A450 VanDerWaalsContact O-CB 3.25Å; C446-A450 WeakPolarHBondContact O-CB 3.42Å; C446-A450 PolarHBondContact O-N 2.97Å; C446-I497 HydrophobicContact CB-CG2 4.23Å
447V97Very high94.1Very high18 Ų1844.3 Ų44.311%0.10923%0.225CC..Hα-helixtrans-71.3-46.6175.9-178.20000110.2V427 G444 Y445 L449 A450 A451 L463V427-V447 HydrophobicContact CG1-CG2 4.21Å; V427-V447 HydrophobicContact CG2-CG2 4.38Å; G444-V447 PolarHBondContact O-N 3.32Å; Y445-V447 VanDerWaalsContact C-N 3.3Å; Y445-V447 PolarHBondContact O-N 3.44Å; V447-L449 VanDerWaalsContact C-N 3.34Å; V447-A450 PolarHBondContact O-N 2.85Å; V447-A451 PolarHBondContact O-N 3.11Å; V447-A451 VanDerWaalsContact O-N 3.1Å; V447-L463 HydrophobicContact CG1-CD1 4.17Å; V447-L463 HydrophobicContact CG2-CD1 4.24Å
448D96.5Very high94Very high39 Ų3937.9 Ų37.921%0.20921%0.206CC..Hα-helixtrans-62.4-43.3173.7-71.2-8.7000110.7G444 Y445 A450 A451 E452 L783 K786 W787G444-D448 PolarHBondContact O-N 3.4Å; Y445-D448 PolarHBondContact O-N 3.15Å; D448-A450 PolarHBondContact O-N 3.19Å; D448-A451 PolarHBondContact O-N 3.47Å; D448-E452 PolarHBondContact O-N 3.11Å; D448-L783 HydrophobicContact CB-CD1 4.33Å; D448-L783 HydrophobicContact CB-CD2 3.73Å; D448-K786 IonicContact OD1-NZ 3.4Å; D448-K786 IonicContact OD2-NZ 3.75Å; D448-K786 PolarHBondContact OD2-NZ 3.29Å; D448-W787 PolarHBondContact OD2-NE1 3.21Å
449L96.1Very high93.9Very high0 Ų036.8 Ų36.80%019%0.192CC..Hα-helixtrans-61.1-43.3176.1-179.261.4000111.8Y445 V447 A451 E452 I453 I497 F516 L774 L780Y445-L449 HydrophobicContact CE1-CD2 4.12Å; Y445-L449 VanDerWaalsContact O-CB 3.31Å; Y445-L449 WeakPolarHBondContact O-CB 3.48Å; Y445-L449 PolarHBondContact O-N 3.28Å; V447-L449 VanDerWaalsContact C-N 3.34Å; L449-A451 VanDerWaalsContact C-N 3.31Å; L449-A451 PolarHBondContact O-N 3.38Å; L449-E452 PolarHBondContact O-N 2.82Å; L449-I453 HydrophobicContact CD1-CD1 4.45Å; L449-I453 HydrophobicContact CD1-CG1 4.1Å; L449-I453 HydrophobicContact CG-CG1 4.3Å; L449-I453 VanDerWaalsContact O-CG1 3.27Å; L449-I453 WeakPolarHBondContact O-CG1 3.25Å; L449-I453 PolarHBondContact O-N 2.87Å; L449-I497 HydrophobicContact CD2-CG2 3.99Å; L449-I497 HydrophobicContact CG-CG2 4.23Å; L449-F516 HydrophobicContact CD2-CD1 4.35Å; L449-F516 HydrophobicContact CD2-CD2 4.14Å; L449-F516 HydrophobicContact CD2-CE1 4.35Å; L449-F516 HydrophobicContact CD2-CE2 4.17Å; L449-F516 HydrophobicContact CD2-CG 4.24Å; L449-F516 HydrophobicContact CD2-CZ 4.25Å; L449-L774 HydrophobicContact CD1-CD1 3.89Å; L449-L780 HydrophobicContact CD1-CD2 3.84Å
450A95.8Very high93.8Very high1 Ų140.9 Ų40.91%0.00821%0.208CC..Hα-helixtrans-61.7-39.4177.600000112C446 V447 D448 A454 Y461 L463 I497C446-A450 VanDerWaalsContact O-CB 3.25Å; C446-A450 WeakPolarHBondContact O-CB 3.42Å; C446-A450 PolarHBondContact O-N 2.97Å; V447-A450 PolarHBondContact O-N 2.85Å; D448-A450 PolarHBondContact O-N 3.19Å; A450-A454 VanDerWaalsContact O-CB 3.23Å; A450-A454 WeakPolarHBondContact O-CB 3.48Å; A450-A454 PolarHBondContact O-N 3.05Å; A450-Y461 HydrophobicContact CB-CE2 4.12Å; A450-L463 HydrophobicContact CB-CD2 4.35Å; A450-I497 HydrophobicContact CB-CD1 3.82Å
451A95.9Very high93.8Very high42 Ų4237.9 Ų37.935%0.34719%0.192SC..Hα-helixtrans-63.9-42.5175.500000112V447 D448 L449 A454 K455V447-A451 PolarHBondContact O-N 3.11Å; V447-A451 VanDerWaalsContact O-N 3.1Å; D448-A451 PolarHBondContact O-N 3.47Å; L449-A451 VanDerWaalsContact C-N 3.31Å; L449-A451 PolarHBondContact O-N 3.38Å; A451-A454 PolarHBondContact O-N 3.12Å; A451-K455 VanDerWaalsContact O-CB 3.31Å; A451-K455 WeakPolarHBondContact O-CB 3.38Å; A451-K455 PolarHBondContact O-N 3.5Å
452E95Very high93.9Very high47 Ų4739.7 Ų39.722%0.2220%0.202CC..Hα-helixtrans-68.7-42.9177.6-67.1-64.9166.700112D448 L449 A454 K455 H456 L774 L779D448-E452 PolarHBondContact O-N 3.11Å; L449-E452 PolarHBondContact O-N 2.82Å; E452-A454 VanDerWaalsContact C-N 3.34Å; E452-A454 PolarHBondContact O-N 2.63Å; E452-K455 WeakPolarHBondContact O-CB 3.33Å; E452-K455 PolarHBondContact O-N 3Å; E452-K455 IonicContact OE2-NZ 3.86Å; E452-H456 PolarHBondContact O-CD2 3.31Å; E452-H456 PolarHBondContact O-N 2.95Å; E452-L774 HydrophobicContact CB-CD1 4.04Å; E452-L774 HydrophobicContact CB-CD2 4.16Å; E452-L779 HydrophobicContact CB-CD2 4.3Å; E452-L779 HydrophobicContact CG-CD2 3.6Å
453I94.4Very high93.9Very high0 Ų039.1 Ų39.10%020%0.2CC..Hα-helixtrans-61-45174.9-64.6-67.2000110.6L449 K455 H456 C457 F459 I755 V767 A770 V771 L774L449-I453 HydrophobicContact CD1-CD1 4.45Å; L449-I453 HydrophobicContact CD1-CG1 4.1Å; L449-I453 HydrophobicContact CG-CG1 4.3Å; L449-I453 VanDerWaalsContact O-CG1 3.27Å; L449-I453 WeakPolarHBondContact O-CG1 3.25Å; L449-I453 PolarHBondContact O-N 2.87Å; I453-K455 VanDerWaalsContact C-N 3.33Å; I453-K455 PolarHBondContact O-N 2.91Å; I453-H456 PolarHBondContact O-N 2.68Å; I453-C457 WeakPolarHBondContact O-CB 3.45Å; I453-C457 PolarHBondContact O-N 2.94Å; I453-C457 PolarHBondContact O-SG 3.5Å; I453-F459 HydrophobicContact CG2-CE1 4.19Å; I453-F459 HydrophobicContact CG2-CZ 3.98Å; I453-I755 HydrophobicContact CD1-CD1 3.89Å; I453-I755 HydrophobicContact CG1-CD1 3.9Å; I453-V767 HydrophobicContact CG2-CG1 4.43Å; I453-V767 HydrophobicContact CG2-CG2 4.1Å; I453-A770 HydrophobicContact CD1-CB 3.9Å; I453-V771 HydrophobicContact CD1-CG2 3.89Å; I453-L774 HydrophobicContact CD1-CD1 3.77Å; I453-L774 HydrophobicContact CG1-CD1 4.35Å
454A92.9Very high93.9Very high9 Ų938.1 Ų38.17%0.07420%0.199CC..Hα-helixtrans-62.1-39.6176.900000112.3A450 A451 E452 G458 F459 Y461A450-A454 VanDerWaalsContact O-CB 3.23Å; A450-A454 WeakPolarHBondContact O-CB 3.48Å; A450-A454 PolarHBondContact O-N 3.05Å; A451-A454 PolarHBondContact O-N 3.12Å; E452-A454 VanDerWaalsContact C-N 3.34Å; E452-A454 PolarHBondContact O-N 2.63Å; A454-G458 WeakPolarHBondContact O-CA 3.48Å; A454-G458 PolarHBondContact O-N 3.42Å; A454-F459 HydrophobicContact CB-CD2 4.32Å; A454-F459 HydrophobicContact CB-CE2 4.05Å; A454-F459 HydrophobicContact CB-CZ 4.34Å; A454-F459 PolarHBondContact O-N 3.49Å; A454-Y461 HydrophobicContact CB-CD1 3.48Å; A454-Y461 VanDerWaalsContact CB-CD1 3.48Å; A454-Y461 HydrophobicContact CB-CE1 3.63Å
455K92.4Very high93.9Very high158 Ų15840.9 Ų40.969%0.68721%0.213SC*.Hα-helixtrans-63.8-38.8175.8-179.7-176.4175.4-171.90112.6A451 E452 I453A451-K455 VanDerWaalsContact O-CB 3.31Å; A451-K455 WeakPolarHBondContact O-CB 3.38Å; A451-K455 PolarHBondContact O-N 3.5Å; E452-K455 WeakPolarHBondContact O-CB 3.33Å; E452-K455 PolarHBondContact O-N 3Å; E452-K455 IonicContact OE2-NZ 3.86Å; I453-K455 VanDerWaalsContact C-N 3.33Å; I453-K455 PolarHBondContact O-N 2.91Å
456H89.9Confident93.8Very high63 Ų6341.1 Ų41.129%0.29221%0.214SC..Hα-helixtrans-77.3-35179.2-84.6-85.4000113.4E452 I453 A770E452-H456 PolarHBondContact O-CD2 3.31Å; E452-H456 PolarHBondContact O-N 2.95Å; I453-H456 PolarHBondContact O-N 2.68Å; H456-A770 HydrophobicContact CB-CB 3.92Å
457C89.1Confident93.5Very high28 Ų2844.6 Ų44.619%0.18925%0.25CS..Hα-helixtrans-94.8-15.4-177.5-63.70000114.1I453 F459I453-C457 WeakPolarHBondContact O-CB 3.45Å; I453-C457 PolarHBondContact O-N 2.94Å; I453-C457 PolarHBondContact O-SG 3.5Å; C457-F459 HydrophobicContact CB-CD1 3.41Å; C457-F459 VanDerWaalsContact CB-CD1 3.41Å; C457-F459 HydrophobicContact CB-CE1 3.37Å
458G86.6Confident93.1Very high43 Ų4347.3 Ų47.344%0.44326%0.264SS..THydrogen-bonded Turntrans77.434.2175.100000115.5A454A454-G458 WeakPolarHBondContact O-CA 3.48Å; A454-G458 PolarHBondContact O-N 3.42Å
459F88.4Confident92.7Very high11 Ų1147.7 Ų47.75%0.04828%0.278CS..  trans-119.5148.9-179.363-101.9000113.7V416 I453 A454 C457 L763V416-F459 HydrophobicContact CB-CD2 3.83Å; V416-F459 HydrophobicContact CB-CE2 4.09Å; V416-F459 HydrophobicContact CG1-CD2 4.45Å; V416-F459 HydrophobicContact CG1-CE2 4.28Å; V416-F459 HydrophobicContact CG2-CB 4Å; V416-F459 HydrophobicContact CG2-CD2 3.53Å; V416-F459 HydrophobicContact CG2-CE2 4.16Å; V416-F459 HydrophobicContact CG2-CG 3.84Å; I453-F459 HydrophobicContact CG2-CE1 4.19Å; I453-F459 HydrophobicContact CG2-CZ 3.98Å; A454-F459 HydrophobicContact CB-CD2 4.32Å; A454-F459 HydrophobicContact CB-CE2 4.05Å; A454-F459 HydrophobicContact CB-CZ 4.34Å; A454-F459 PolarHBondContact O-N 3.49Å; C457-F459 HydrophobicContact CB-CD1 3.41Å; C457-F459 VanDerWaalsContact CB-CD1 3.41Å; C457-F459 HydrophobicContact CB-CE1 3.37Å; F459-L763 HydrophobicContact CD1-CD2 4.46Å
460K91.8Very high92.4Very high124 Ų12451.8 Ų51.854%0.53930%0.295SS..  trans-77.1143.1167.3-68.6177.5-177.3168.40109.6T415 V416T415-K460 CarbonylContact C-O 3.59Å; T415-K460 WeakPolarHBondContact CA-O 3.4Å; V416-K460 PolarHBondContact N-O 3.11Å
461Y94.2Very high92.1Very high50 Ų5053.2 Ų53.220%0.19630%0.301CS..EExtended strand (participates in β ladder)trans-136.1153.7-178.469.4-82.1000112.6V416 V418 N439 A450 A454 L463V416-Y461 CarbonylContact O-C 3.01Å; V416-Y461 VanDerWaalsContact O-CA 3.3Å; V416-Y461 WeakPolarHBondContact O-CA 3Å; V418-Y461 HydrophobicContact CG2-CD2 4.19Å; V418-Y461 HydrophobicContact CG2-CG 4.37Å; N439-Y461 PolarHBondContact ND2-O 2.94Å; A450-Y461 HydrophobicContact CB-CE2 4.12Å; A454-Y461 HydrophobicContact CB-CD1 3.48Å; A454-Y461 VanDerWaalsContact CB-CD1 3.48Å; A454-Y461 HydrophobicContact CB-CE1 3.63Å; Y461-L463 HydrophobicContact CD2-CD2 4.12Å; Y461-L463 HydrophobicContact CD2-CG 4.17Å; Y461-L463 HydrophobicContact CE2-CD1 4.4Å; Y461-L463 HydrophobicContact CE2-CD2 4.08Å; Y461-L463 HydrophobicContact CE2-CG 3.98Å
462K94.7Very high91.7Very high119 Ų11951.4 Ų51.452%0.51729%0.286SS..EExtended strand (participates in β ladder)trans-126.6121.4172.2-178.1175.8-179.5176.80109.1T415 V416 V418 N439 T464T415-K462 HydrophobicContact CG2-CB 3.78Å; V416-K462 PolarHBondContact O-N 2.88Å; V418-K462 PolarHBondContact N-O 3.16Å; N439-K462 WeakPolarHBondContact OD1-CA 3.31Å; K462-T464 HydrophobicContact CG-CG2 4.41Å; K462-T464 PolarHBondContact O-N 2.88Å
463L95.9Very high91.4Very high8 Ų851 Ų514%0.04229%0.29CS..EExtended strand (participates in β ladder)trans-74.2123.4174.4-63.7175.8000109.5V418 N439 Y442 V447 A450 Y461V418-L463 HydrophobicContact CB-CD2 4.02Å; V418-L463 HydrophobicContact CG1-CD2 3.84Å; N439-L463 HydrophobicContact CB-CD1 4.22Å; N439-L463 HydrophobicContact CB-CG 4.46Å; N439-L463 PolarHBondContact OD1-N 2.66Å; Y442-L463 HydrophobicContact CD2-CB 3.87Å; Y442-L463 HydrophobicContact CD2-CD1 3.84Å; Y442-L463 HydrophobicContact CE2-CB 4.01Å; Y442-L463 HydrophobicContact CG-CD1 4.38Å; V447-L463 HydrophobicContact CG1-CD1 4.17Å; V447-L463 HydrophobicContact CG2-CD1 4.24Å; A450-L463 HydrophobicContact CB-CD2 4.35Å; Y461-L463 HydrophobicContact CD2-CD2 4.12Å; Y461-L463 HydrophobicContact CD2-CG 4.17Å; Y461-L463 HydrophobicContact CE2-CD1 4.4Å; Y461-L463 HydrophobicContact CE2-CD2 4.08Å; Y461-L463 HydrophobicContact CE2-CG 3.98Å
464T95.6Very high91.1Very high38 Ų3856.5 Ų56.523%0.23331%0.311CS..EExtended strand (participates in β ladder)trans-123.4135.617654.30000109.8V417 V418 T419 T420 K462V417-T464 HydrophobicContact CG1-CG2 3.89Å; V417-T464 WeakPolarHBondContact CG1-OG1 3.33Å; V418-T464 PolarHBondContact O-N 2.84Å; V418-T464 PolarHBondContact O-OG1 3.14Å; T419-T464 WeakPolarHBondContact CA-O 3.43Å; T420-T464 PolarHBondContact N-O 3.39Å; K462-T464 HydrophobicContact CG-CG2 4.41Å; K462-T464 PolarHBondContact O-N 2.88Å
465I95.9Very high90.7Very high57 Ų5759.7 Ų59.729%0.29233%0.327SS..EExtended strand (participates in β ladder)trans-85.8135.3176.6-55.7-54.6000109.1T420 L422 Y442 G467T420-I465 HydrophobicContact CG2-CD1 3.83Å; T420-I465 WeakPolarHBondContact O-CA 3.45Å; L422-I465 HydrophobicContact CD2-CD1 3.83Å; L422-I465 HydrophobicContact CD2-CG1 4.47Å; L422-I465 HydrophobicContact CG-CD1 4.02Å; L422-I465 HydrophobicContact CG-CG1 4.38Å; L422-I465 HydrophobicContact CG-CG2 4.24Å; Y442-I465 HydrophobicContact CD1-CD1 4.38Å; Y442-I465 HydrophobicContact CE1-CD1 3.78Å; Y442-I465 HydrophobicContact CE1-CG1 3.95Å; I465-G467 PolarHBondContact O-N 2.86Å
466V94.4Very high90.2Very high6 Ų656 Ų564%0.03633%0.326CS..  trans-56.1132.3176.464.10000111.4T420 I421 D468 G469 M484 E487T420-V466 PolarHBondContact O-N 2.9Å; I421-V466 HydrophobicContact CB-CG1 4.11Å; I421-V466 HydrophobicContact CD1-CG1 4.38Å; I421-V466 HydrophobicContact CG1-CG1 4.08Å; V466-D468 WeakPolarHBondContact CG2-OD1 3.31Å; V466-D468 PolarHBondContact O-N 3.5Å; V466-G469 PolarHBondContact O-N 2.95Å; V466-M484 HydrophobicContact CB-CG 3.77Å; V466-M484 HydrophobicContact CG1-CG 4.19Å; V466-M484 HydrophobicContact CG2-CG 3.88Å; V466-E487 WeakPolarHBondContact CA-OE1 3.3Å
467G90.2Very high89.9Confident75 Ų7560 Ų6077%0.77335%0.35SS*.THydrogen-bonded Turntrans-66.1-32.6-169.700000115.5I465 E487I465-G467 PolarHBondContact O-N 2.86Å; G467-E487 PolarHBondContact N-OE1 2.73Å
468D89.8Confident89.7Confident75 Ų7562.3 Ų62.340%0.40136%0.363SS..THydrogen-bonded Turntrans-100.2-1.5-17768-3.2000114.1V466 K470 N482 G483V466-D468 WeakPolarHBondContact CG2-OD1 3.31Å; V466-D468 PolarHBondContact O-N 3.5Å; D468-K470 VanDerWaalsContact C-N 3.27Å; D468-K470 PolarHBondContact O-N 3.31Å; D468-K470 PolarHBondContact OD1-N 3.44Å; D468-N482 WeakPolarHBondContact OD2-CB 3.1Å; D468-G483 VanDerWaalsContact OD1-CA 3.31Å; D468-G483 WeakPolarHBondContact OD1-CA 3.37Å; D468-G483 PolarHBondContact OD2-N 3.13Å
469G88.8Confident89.6Confident48 Ų4866.5 Ų66.550%0.49537%0.369SS..SBendtrans67.320.4-177.500000114.7I421 V466I421-G469 WeakPolarHBondContact CD1-O 3.44Å; V466-G469 PolarHBondContact O-N 2.95Å
470K89.1Confident89.6Confident85 Ų8567.7 Ų67.737%0.3738%0.375SS..  trans-111.7152-178.1-62.8-177.9-177.7-177.20112.3D468 G483 M484D468-K470 VanDerWaalsContact C-N 3.27Å; D468-K470 PolarHBondContact O-N 3.31Å; D468-K470 PolarHBondContact OD1-N 3.44Å; K470-G483 WeakPolarHBondContact O-CA 3.5Å; K470-M484 PolarHBondContact O-N 3.1Å
471Y89.2Confident89.5Confident32 Ų3262.6 Ų62.613%0.12535%0.353CS..  trans-65.5-44.1173.8-70.5-73.3000113I421 E423 M484 V485 P499 L671I421-Y471 HydrophobicContact CD1-CE1 4.32Å; I421-Y471 HydrophobicContact CD1-CE2 4.46Å; I421-Y471 HydrophobicContact CG2-CE1 3.89Å; E423-Y471 PolarHBondContact OE1-OH 3.04Å; E423-Y471 VanDerWaalsContact OE1-OH 3.09Å; E423-Y471 PolarHBondContact OE2-OH 2.55Å; Y471-M484 HydrophobicContact CD1-CE 3.57Å; Y471-M484 HydrophobicContact CE1-CE 4.18Å; Y471-M484 HydrophobicContact CG-CE 4.44Å; Y471-M484 PolarHBondContact O-N 3.08Å; Y471-V485 PolarHBondContact O-N 3Å; Y471-P499 HydrophobicContact CE1-CG 4.16Å; Y471-P499 WeakPolarHBondContact CE1-O 3.29Å; Y471-L671 HydrophobicContact CE2-CD2 4.41Å
472G88.2Confident89.4Confident3 Ų362.4 Ų62.43%0.03136%0.355CS..  trans125.4113.3-177.300000112N482 R506G472-N482 WeakPolarHBondContact CA-O 3.5Å; G472-N482 WeakPolarHBondContact CA-OD1 3.5Å; G472-R506 PolarHBondContact O-NE 3.21Å; G472-R506 PolarHBondContact O-NH2 3.46Å
473A88.2Confident89.2Confident38 Ų3857 Ų5731%0.31433%0.333SS..  trans-131.3152.4173.500000108.6N482A473-N482 PolarHBondContact N-OD1 3.25Å; A473-N482 PolarHBondContact O-N 3.45Å; A473-N482 VanDerWaalsContact O-N 3.11Å; A473-N482 PolarHBondContact O-OD1 3.36Å; A473-N482 VanDerWaalsContact O-OD1 3.11Å
474R88Confident89.2Confident117 Ų11756.6 Ų56.644%0.44233%0.331SS..BIsolated β-bridgetrans-87.8125.4176.4-169.4-179.3-178.4175.94.1109K479 W481R474-K479 VanDerWaalsContact NH2-CD 3.28Å; R474-W481 HydrophobicContact CB-CD2 3.93Å; R474-W481 HydrophobicContact CB-CE3 4.09Å; R474-W481 HydrophobicContact CB-CH2 4.06Å; R474-W481 HydrophobicContact CB-CZ2 3.88Å; R474-W481 HydrophobicContact CB-CZ3 4.16Å; R474-W481 HydrophobicContact CG-CD2 4.4Å; R474-W481 HydrophobicContact CG-CZ2 4.39Å
475D85.2Confident89.1Confident75 Ų7554.8 Ų54.840%0.40132%0.32SS..  trans-61.6137168.6-173.3-5.8000109.9D477 T478 K479 I480D475-D477 PolarHBondContact OD1-N 3.36Å; D475-T478 VanDerWaalsContact CB-OG1 3.27Å; D475-T478 WeakPolarHBondContact CB-OG1 3.37Å; D475-T478 PolarHBondContact OD2-OG1 3.39Å; D475-K479 WeakPolarHBondContact O-CA 3.21Å; D475-K479 PolarHBondContact O-N 3.24Å; D475-K479 VanDerWaalsContact O-N 3.13Å; D475-I480 PolarHBondContact N-O 3.44Å
476A81.6Confident89Confident80 Ų8052.2 Ų52.266%0.66131%0.308SS*.THydrogen-bonded Turntrans-68.6-38.2-173.600000112
477D83.3Confident89Confident148 Ų14853.4 Ų53.479%0.79131%0.313SS*.THydrogen-bonded Turntrans-90.9-54.2-172.3-58.6-35.3000110.7D475 K479D475-D477 PolarHBondContact OD1-N 3.36Å; D477-K479 VanDerWaalsContact C-N 3.32Å; D477-K479 PolarHBondContact O-N 2.93Å
478T84.3Confident89.2Confident76 Ų7650 Ų5047%0.46628%0.276SS..THydrogen-bonded Turntrans-79.8-15.8-175.867.10000113.1D475 I480D475-T478 VanDerWaalsContact CB-OG1 3.27Å; D475-T478 WeakPolarHBondContact CB-OG1 3.37Å; D475-T478 PolarHBondContact OD2-OG1 3.39Å; T478-I480 HydrophobicContact CG2-CD1 4.35Å; T478-I480 PolarHBondContact O-N 3.45Å; T478-I480 VanDerWaalsContact O-N 3.15Å; T478-I480 WeakPolarHBondContact OG1-CB 3.27Å; T478-I480 WeakPolarHBondContact OG1-CD1 3.46Å; T478-I480 WeakPolarHBondContact OG1-CG1 3.25Å; T478-I480 PolarHBondContact OG1-N 2.78Å
479K84.4Confident89.3Confident131 Ų13149 Ų4957%0.5727%0.273SS*.  trans58.817.1-173.2-68171.8166.8179.90113.8R474 D475 D477R474-K479 VanDerWaalsContact NH2-CD 3.28Å; D475-K479 WeakPolarHBondContact O-CA 3.21Å; D475-K479 PolarHBondContact O-N 3.24Å; D475-K479 VanDerWaalsContact O-N 3.13Å; D477-K479 VanDerWaalsContact C-N 3.32Å; D477-K479 PolarHBondContact O-N 2.93Å
480I88.3Confident89.5Confident36 Ų3648.2 Ų48.219%0.18526%0.256CS..  trans-78.3135.6178.9-62.7169.8000109.5L201 K203 D475 T478 Y490L201-I480 VanDerWaalsContact O-CD1 3.29Å; L201-I480 WeakPolarHBondContact O-CD1 3.02Å; K203-I480 HydrophobicContact CG-CD1 4.42Å; K203-I480 HydrophobicContact CG-CG2 4.11Å; D475-I480 PolarHBondContact N-O 3.44Å; T478-I480 HydrophobicContact CG2-CD1 4.35Å; T478-I480 PolarHBondContact O-N 3.45Å; T478-I480 VanDerWaalsContact O-N 3.15Å; T478-I480 WeakPolarHBondContact OG1-CB 3.27Å; T478-I480 WeakPolarHBondContact OG1-CD1 3.46Å; T478-I480 WeakPolarHBondContact OG1-CG1 3.25Å; T478-I480 PolarHBondContact OG1-N 2.78Å; I480-Y490 WeakPolarHBondContact CA-OH 2.97Å; I480-Y490 HydrophobicContact CG2-CE2 4.21Å; I480-Y490 WeakPolarHBondContact CG2-OH 3.38Å
481W91.1Very high89.4Confident17 Ų1745.5 Ų45.56%0.06425%0.251CS..BIsolated β-bridgetrans-87.6126.9171.8-73.993.8000110.1R474 V485 G486 Y490 V505 R506 V509R474-W481 HydrophobicContact CB-CD2 3.93Å; R474-W481 HydrophobicContact CB-CE3 4.09Å; R474-W481 HydrophobicContact CB-CH2 4.06Å; R474-W481 HydrophobicContact CB-CZ2 3.88Å; R474-W481 HydrophobicContact CB-CZ3 4.16Å; R474-W481 HydrophobicContact CG-CD2 4.4Å; R474-W481 HydrophobicContact CG-CZ2 4.39Å; W481-V485 HydrophobicContact CB-CG1 4.38Å; W481-V485 HydrophobicContact CD2-CG1 3.78Å; W481-V485 HydrophobicContact CE3-CB 3.98Å; W481-V485 HydrophobicContact CE3-CG1 3.52Å; W481-V485 HydrophobicContact CG-CG1 4.18Å; W481-V485 HydrophobicContact CZ3-CG1 4Å; W481-G486 WeakPolarHBondContact O-CA 3.47Å; W481-Y490 PolarHBondContact N-OH 3.26Å; W481-Y490 VanDerWaalsContact N-OH 3.17Å; W481-Y490 WeakPolarHBondContact O-CE2 3.36Å; W481-V505 HydrophobicContact CH2-CB 4.17Å; W481-V505 HydrophobicContact CH2-CG2 4.08Å; W481-V505 WeakPolarHBondContact CH2-O 3.49Å; W481-V505 VanDerWaalsContact CZ2-O 3.3Å; W481-V505 WeakPolarHBondContact CZ2-O 3.31Å; W481-R506 HydrophobicContact CH2-CG 4.15Å; W481-R506 HydrophobicContact CZ3-CG 4.14Å; W481-V509 HydrophobicContact CD2-CG2 4.44Å; W481-V509 HydrophobicContact CZ2-CG1 4.29Å; W481-V509 HydrophobicContact CZ2-CG2 3.9Å
482N90.9Very high89.4Confident47 Ų4749.3 Ų49.325%0.25127%0.269SS..  trans-94.5-174.8169.967.318.8000110.9D468 G472 A473 G486D468-N482 WeakPolarHBondContact OD2-CB 3.1Å; G472-N482 WeakPolarHBondContact CA-O 3.5Å; G472-N482 WeakPolarHBondContact CA-OD1 3.5Å; A473-N482 PolarHBondContact N-OD1 3.25Å; A473-N482 PolarHBondContact O-N 3.45Å; A473-N482 VanDerWaalsContact O-N 3.11Å; A473-N482 PolarHBondContact O-OD1 3.36Å; A473-N482 VanDerWaalsContact O-OD1 3.11Å; N482-G486 PolarHBondContact O-N 3.38Å; N482-G486 VanDerWaalsContact O-N 3.08Å
483G91.8Very high89.7Confident4 Ų449.2 Ų49.24%0.04127%0.268CS..Hα-helixtrans61.2-160.1175.300000115.6D468 K470 V485 G486 E487D468-G483 VanDerWaalsContact OD1-CA 3.31Å; D468-G483 WeakPolarHBondContact OD1-CA 3.37Å; D468-G483 PolarHBondContact OD2-N 3.13Å; K470-G483 WeakPolarHBondContact O-CA 3.5Å; G483-V485 VanDerWaalsContact C-N 3.26Å; G483-V485 PolarHBondContact O-N 3.31Å; G483-G486 PolarHBondContact O-N 3.15Å; G483-G486 VanDerWaalsContact O-N 3.1Å; G483-E487 PolarHBondContact O-N 3.13Å; G483-E487 VanDerWaalsContact O-N 3.13Å
484M94.5Very high89.9Confident0 Ų048.7 Ų48.70%026%0.26CS..Hα-helixtrans-60.9-35-179.8-63.7-179.3-73.400112.4T419 I421 V466 K470 Y471 G486 E487 L488 A498 L500T419-M484 HydrophobicContact CG2-CB 4.12Å; T419-M484 HydrophobicContact CG2-CG 4.27Å; I421-M484 HydrophobicContact CB-CE 4.16Å; I421-M484 HydrophobicContact CB-SD 4.18Å; I421-M484 HydrophobicContact CG2-CE 3.92Å; I421-M484 HydrophobicContact CG2-SD 4.33Å; V466-M484 HydrophobicContact CB-CG 3.77Å; V466-M484 HydrophobicContact CG1-CG 4.19Å; V466-M484 HydrophobicContact CG2-CG 3.88Å; K470-M484 PolarHBondContact O-N 3.1Å; Y471-M484 HydrophobicContact CD1-CE 3.57Å; Y471-M484 HydrophobicContact CE1-CE 4.18Å; Y471-M484 HydrophobicContact CG-CE 4.44Å; Y471-M484 PolarHBondContact O-N 3.08Å; M484-G486 VanDerWaalsContact C-N 3.34Å; M484-G486 PolarHBondContact O-N 2.87Å; M484-E487 PolarHBondContact O-N 3.38Å; M484-L488 PolarHBondContact O-N 3.14Å; M484-L488 VanDerWaalsContact O-N 3.15Å; M484-A498 HydrophobicContact CE-CB 3.7Å; M484-A498 HydrophobicContact SD-CB 3.45Å; M484-A498 WeakPolarHBondContact SD-CB 3.48Å; M484-L500 HydrophobicContact CE-CD1 4.39Å
485V94.9Very high90.3Very high0 Ų043.1 Ų43.10%024%0.239CC..Hα-helixtrans-60.7-44.7175.2-179.10000110.5Y471 W481 G483 E487 L488 V489 L500 R506 V509 I510Y471-V485 PolarHBondContact O-N 3Å; W481-V485 HydrophobicContact CB-CG1 4.38Å; W481-V485 HydrophobicContact CD2-CG1 3.78Å; W481-V485 HydrophobicContact CE3-CB 3.98Å; W481-V485 HydrophobicContact CE3-CG1 3.52Å; W481-V485 HydrophobicContact CG-CG1 4.18Å; W481-V485 HydrophobicContact CZ3-CG1 4Å; G483-V485 VanDerWaalsContact C-N 3.26Å; G483-V485 PolarHBondContact O-N 3.31Å; V485-E487 VanDerWaalsContact C-N 3.32Å; V485-E487 PolarHBondContact O-N 3.17Å; V485-L488 PolarHBondContact O-N 2.66Å; V485-V489 HydrophobicContact CG1-CG2 4.18Å; V485-V489 WeakPolarHBondContact O-CB 3.36Å; V485-V489 VanDerWaalsContact O-CG2 3.25Å; V485-V489 WeakPolarHBondContact O-CG2 3.49Å; V485-V489 PolarHBondContact O-N 2.89Å; V485-L500 HydrophobicContact CG2-CD1 4.27Å; V485-L500 HydrophobicContact CG2-CD2 4.35Å; V485-R506 HydrophobicContact CG2-CG 4.16Å; V485-V509 HydrophobicContact CG1-CG2 3.88Å; V485-I510 HydrophobicContact CB-CD1 4.49Å; V485-I510 HydrophobicContact CG1-CD1 4.08Å; V485-I510 HydrophobicContact CG1-CG1 4.48Å; V485-I510 HydrophobicContact CG2-CD1 4.06Å
486G92.8Very high90.9Very high4 Ų439.6 Ų39.64%0.04122%0.219CC..Hα-helixtrans-62.4-37.2175.100000112.9W481 N482 G483 M484 L488 V489 Y490W481-G486 WeakPolarHBondContact O-CA 3.47Å; N482-G486 PolarHBondContact O-N 3.38Å; N482-G486 VanDerWaalsContact O-N 3.08Å; G483-G486 PolarHBondContact O-N 3.15Å; G483-G486 VanDerWaalsContact O-N 3.1Å; M484-G486 VanDerWaalsContact C-N 3.34Å; M484-G486 PolarHBondContact O-N 2.87Å; G486-L488 VanDerWaalsContact C-N 3.32Å; G486-L488 PolarHBondContact O-N 2.9Å; G486-V489 PolarHBondContact O-N 3.04Å; G486-Y490 VanDerWaalsContact O-CB 3.31Å; G486-Y490 WeakPolarHBondContact O-CB 3.39Å; G486-Y490 WeakPolarHBondContact O-CD2 3.3Å; G486-Y490 PolarHBondContact O-N 2.84Å
487E94.6Very high91.6Very high30 Ų3035.9 Ų35.914%0.1419%0.188CC..Hα-helixtrans-64.1-35.7177.2-68.8-172.6176.800113T419 V466 G467 G483 M484 V485 G491 K492 A493T419-E487 WeakPolarHBondContact CB-OE2 3.16Å; T419-E487 PolarHBondContact OG1-OE2 3.46Å; V466-E487 WeakPolarHBondContact CA-OE1 3.3Å; G467-E487 PolarHBondContact N-OE1 2.73Å; G483-E487 PolarHBondContact O-N 3.13Å; G483-E487 VanDerWaalsContact O-N 3.13Å; M484-E487 PolarHBondContact O-N 3.38Å; V485-E487 VanDerWaalsContact C-N 3.32Å; V485-E487 PolarHBondContact O-N 3.17Å; E487-G491 PolarHBondContact O-N 2.72Å; E487-K492 HydrophobicContact CB-CB 4.09Å; E487-K492 HydrophobicContact CG-CB 4.29Å; E487-K492 HydrophobicContact CG-CD 4.22Å; E487-K492 WeakPolarHBondContact O-CA 3.27Å; E487-K492 WeakPolarHBondContact O-CB 3.41Å; E487-K492 PolarHBondContact O-N 3.4Å; E487-A493 HydrophobicContact CB-CB 4.08Å; E487-A493 PolarHBondContact O-N 3.18Å
488L94.5Very high92.2Very high3 Ų328.8 Ų28.82%0.01615%0.151CC..Hα-helixtrans-75.3-45.3174.3-62.2-177.4000112.3T419 M484 V485 G486 Y490 G491 A493 A496 I510 A756 P758T419-L488 HydrophobicContact CG2-CD2 4.31Å; M484-L488 PolarHBondContact O-N 3.14Å; M484-L488 VanDerWaalsContact O-N 3.15Å; V485-L488 PolarHBondContact O-N 2.66Å; G486-L488 VanDerWaalsContact C-N 3.32Å; G486-L488 PolarHBondContact O-N 2.9Å; L488-Y490 VanDerWaalsContact C-N 3.3Å; L488-Y490 PolarHBondContact O-N 2.85Å; L488-G491 PolarHBondContact O-N 2.69Å; L488-A493 HydrophobicContact CD2-CB 4.01Å; L488-A496 HydrophobicContact CD1-CB 3.78Å; L488-A496 HydrophobicContact CD2-CB 4.36Å; L488-A496 HydrophobicContact CG-CB 4.29Å; L488-I510 HydrophobicContact CB-CG2 3.78Å; L488-I510 HydrophobicContact CD1-CD1 4.35Å; L488-I510 HydrophobicContact CD1-CG2 4.2Å; L488-A756 HydrophobicContact CD1-CB 3.55Å; L488-P758 HydrophobicContact CB-CG 4.36Å; L488-P758 HydrophobicContact CD2-CG 4.26Å
489V92.6Very high92.7Very high55 Ų5525.2 Ų25.233%0.33313%0.129SC..Hα-helixtrans-62.3-39.1-179.1171.80000111.4V485 G486 V509 I510V485-V489 HydrophobicContact CG1-CG2 4.18Å; V485-V489 WeakPolarHBondContact O-CB 3.36Å; V485-V489 VanDerWaalsContact O-CG2 3.25Å; V485-V489 WeakPolarHBondContact O-CG2 3.49Å; V485-V489 PolarHBondContact O-N 2.89Å; G486-V489 PolarHBondContact O-N 3.04Å; V489-V509 HydrophobicContact CG2-CB 3.86Å; V489-V509 HydrophobicContact CG2-CG2 3.88Å; V489-I510 HydrophobicContact CG2-CG2 3.83Å
490Y91Very high93.2Very high32 Ų3219 Ų1913%0.12510%0.102CC..THydrogen-bonded Turntrans-94.612.9-179-54.9-49.1000113.7K203 I480 W481 G486 L488 K492K203-Y490 HydrophobicContact CB-CD1 3.97Å; K203-Y490 HydrophobicContact CB-CD2 4.5Å; K203-Y490 HydrophobicContact CB-CE1 3.67Å; K203-Y490 HydrophobicContact CB-CE2 4.23Å; K203-Y490 HydrophobicContact CB-CG 4.4Å; K203-Y490 HydrophobicContact CG-CE1 4.36Å; K203-Y490 HydrophobicContact CG-CE2 4.1Å; I480-Y490 WeakPolarHBondContact CA-OH 2.97Å; I480-Y490 HydrophobicContact CG2-CE2 4.21Å; I480-Y490 WeakPolarHBondContact CG2-OH 3.38Å; W481-Y490 PolarHBondContact N-OH 3.26Å; W481-Y490 VanDerWaalsContact N-OH 3.17Å; W481-Y490 WeakPolarHBondContact O-CE2 3.36Å; G486-Y490 VanDerWaalsContact O-CB 3.31Å; G486-Y490 WeakPolarHBondContact O-CB 3.39Å; G486-Y490 WeakPolarHBondContact O-CD2 3.3Å; G486-Y490 PolarHBondContact O-N 2.84Å; L488-Y490 VanDerWaalsContact C-N 3.3Å; L488-Y490 PolarHBondContact O-N 2.85Å; Y490-K492 VanDerWaalsContact C-N 3.26Å; Y490-K492 PolarHBondContact O-N 3.34Å
491G87.2Confident93.5Very high27 Ų2717.5 Ų17.528%0.2789%0.094SC..THydrogen-bonded Turntrans65.721.2173.600000115.5G232 E487 L488G232-G491 WeakPolarHBondContact CA-O 3.4Å; E487-G491 PolarHBondContact O-N 2.72Å; L488-G491 PolarHBondContact O-N 2.69Å
492K90.5Very high93.7Very high113 Ų11319 Ų1949%0.49110%0.103SC..SBendtrans-76-33.9175.2-63.9-175.6173-173.10112E487 Y490E487-K492 HydrophobicContact CB-CB 4.09Å; E487-K492 HydrophobicContact CG-CB 4.29Å; E487-K492 HydrophobicContact CG-CD 4.22Å; E487-K492 WeakPolarHBondContact O-CA 3.27Å; E487-K492 WeakPolarHBondContact O-CB 3.41Å; E487-K492 PolarHBondContact O-N 3.4Å; Y490-K492 VanDerWaalsContact C-N 3.26Å; Y490-K492 PolarHBondContact O-N 3.34Å
493A93.2Very high93.8Very high1 Ų118.3 Ų18.31%0.00810%0.101CC..  trans-124.6152.9176.900000110.7V417 T419 E487 L488V417-A493 HydrophobicContact CG1-CB 4.15Å; T419-A493 HydrophobicContact CG2-CB 3.65Å; E487-A493 HydrophobicContact CB-CB 4.08Å; E487-A493 PolarHBondContact O-N 3.18Å; L488-A493 HydrophobicContact CD2-CB 4.01Å
494D93.5Very high93.8Very high27 Ų2724.6 Ų24.614%0.14413%0.132CC..SBendtrans-95.2-25.4-176.9-58.1-49.7000112.3K231 V416 V417 P758K231-D494 WeakPolarHBondContact CE-OD1 3.43Å; K231-D494 IonicContact NZ-OD1 3.06Å; K231-D494 PolarHBondContact NZ-OD1 2.92Å; K231-D494 IonicContact NZ-OD2 3.6Å; K231-D494 PolarHBondContact NZ-OD2 3.36Å; V416-D494 HydrophobicContact CG1-CB 3.75Å; V417-D494 PolarHBondContact N-OD2 3.24Å; V417-D494 PolarHBondContact O-N 3.01Å; D494-P758 WeakPolarHBondContact O-CD 3.5Å
495I95.9Very high93.7Very high0 Ų026.3 Ų26.30%014%0.143CC..EExtended strand (participates in β ladder)trans-156.4148.5-179.7-167.3169.9000109.9V416 V417 V418 T419 I497 I755 A756 T757 V767V416-I495 HydrophobicContact CG1-CB 4.41Å; V416-I495 HydrophobicContact CG1-CG2 3.61Å; V417-I495 PolarHBondContact O-N 2.72Å; V418-I495 CarbonylContact C-O 3.57Å; V418-I495 WeakPolarHBondContact CA-O 3.31Å; V418-I495 HydrophobicContact CB-CG2 4.1Å; V418-I495 HydrophobicContact CG1-CG2 4.23Å; V418-I495 HydrophobicContact CG2-CG2 3.58Å; T419-I495 PolarHBondContact N-O 3.11Å; I495-I497 HydrophobicContact CD1-CD1 4.46Å; I495-I497 HydrophobicContact CD1-CG1 4.37Å; I495-I497 HydrophobicContact CG1-CG1 4.34Å; I495-I755 HydrophobicContact CD1-CG2 3.64Å; I495-I755 HydrophobicContact CG1-CG2 3.63Å; I495-A756 WeakPolarHBondContact CA-O 3.28Å; I495-A756 WeakPolarHBondContact CG1-O 3.42Å; I495-T757 HydrophobicContact CD1-CG2 4.23Å; I495-T757 HydrophobicContact CG1-CG2 3.96Å; I495-V767 HydrophobicContact CD1-CG1 4.38Å; I495-V767 HydrophobicContact CD1-CG2 3.77Å
496A97.4Very high93.6Very high0 Ų026.9 Ų26.90%015%0.145CC..EExtended strand (participates in β ladder)trans-117.5112.5172.700000110.6T419 L488 A756T419-A496 HydrophobicContact CG2-CB 3.53Å; T419-A496 WeakPolarHBondContact O-CA 3.49Å; L488-A496 HydrophobicContact CD1-CB 3.78Å; L488-A496 HydrophobicContact CD2-CB 4.36Å; L488-A496 HydrophobicContact CG-CB 4.29Å; A496-A756 HydrophobicContact CB-CB 4.24Å; A496-A756 PolarHBondContact N-O 2.76Å; A496-A756 PolarHBondContact O-N 3.37Å; A496-A756 VanDerWaalsContact O-N 3.15Å
497I97.1Very high93.6Very high2 Ų230 Ų301%0.0116%0.159CC..  trans-108.793.5173.3-56.3178.7000107V418 T419 T420 C446 L449 A450 I495 I755V418-I497 HydrophobicContact CG1-CB 3.97Å; V418-I497 HydrophobicContact CG1-CD1 4.15Å; V418-I497 HydrophobicContact CG1-CG1 4Å; T419-I497 PolarHBondContact O-N 2.86Å; T420-I497 WeakPolarHBondContact CB-O 2.86Å; T420-I497 PolarHBondContact OG1-O 3.05Å; C446-I497 HydrophobicContact CB-CG2 4.23Å; L449-I497 HydrophobicContact CD2-CG2 3.99Å; L449-I497 HydrophobicContact CG-CG2 4.23Å; A450-I497 HydrophobicContact CB-CD1 3.82Å; I495-I497 HydrophobicContact CD1-CD1 4.46Å; I495-I497 HydrophobicContact CD1-CG1 4.37Å; I495-I497 HydrophobicContact CG1-CG1 4.34Å; I497-I755 HydrophobicContact CG1-CD1 4.49Å; I497-I755 HydrophobicContact CG1-CG2 3.95Å
498A96Very high93.5Very high0 Ų033.7 Ų33.70%018%0.176CC..SBendtrans-154.8167-17100000109.8M484 L500M484-A498 HydrophobicContact CE-CB 3.7Å; M484-A498 HydrophobicContact SD-CB 3.45Å; M484-A498 WeakPolarHBondContact SD-CB 3.48Å; A498-L500 PolarHBondContact O-N 3.44Å
499P95.1Very high93.4Very high1 Ų135.3 Ų35.31%0.00619%0.186CC..SBendtrans-70.363.516929-33.9000111.2I421 Y426 Y471 Y753I421-P499 HydrophobicContact CG2-CG 4.33Å; Y426-P499 HydrophobicContact CD1-CB 4.04Å; Y426-P499 HydrophobicContact CD1-CG 4.25Å; Y426-P499 HydrophobicContact CD2-CB 3.98Å; Y426-P499 HydrophobicContact CD2-CG 3.63Å; Y426-P499 HydrophobicContact CE1-CB 3.94Å; Y426-P499 HydrophobicContact CE2-CB 3.85Å; Y426-P499 HydrophobicContact CE2-CG 3.96Å; Y426-P499 HydrophobicContact CG-CB 4.06Å; Y426-P499 HydrophobicContact CG-CG 3.78Å; Y471-P499 HydrophobicContact CE1-CG 4.16Å; Y471-P499 WeakPolarHBondContact CE1-O 3.29Å; P499-Y753 VanDerWaalsContact C-CD1 3.44Å; P499-Y753 HydrophobicContact CB-CD1 4.27Å; P499-Y753 HydrophobicContact CB-CD2 4.14Å; P499-Y753 HydrophobicContact CB-CE1 3.82Å; P499-Y753 HydrophobicContact CB-CE2 3.68Å; P499-Y753 HydrophobicContact CB-CG 4.42Å; P499-Y753 WeakPolarHBondContact O-CE1 3.17Å
500L94.7Very high93.6Very high0 Ų032.7 Ų32.70%017%0.17CC..  trans-97.1109.2-178.8-171.765.9000110M484 V485 A498 I502 I510 F512 Y753 G754 A756M484-L500 HydrophobicContact CE-CD1 4.39Å; V485-L500 HydrophobicContact CG2-CD1 4.27Å; V485-L500 HydrophobicContact CG2-CD2 4.35Å; A498-L500 PolarHBondContact O-N 3.44Å; L500-I502 PolarHBondContact O-N 2.77Å; L500-I510 HydrophobicContact CD2-CD1 4.2Å; L500-F512 HydrophobicContact CB-CE1 4.45Å; L500-F512 HydrophobicContact CD2-CE1 3.72Å; L500-F512 HydrophobicContact CD2-CZ 3.77Å; L500-F512 HydrophobicContact CG-CE1 3.94Å; L500-F512 HydrophobicContact CG-CZ 4.06Å; L500-Y753 WeakPolarHBondContact O-CA 3.4Å; L500-G754 PolarHBondContact O-N 3.05Å; L500-A756 HydrophobicContact CD2-CB 3.81Å
501T94.9Very high93.8Very high5 Ų531.8 Ų31.83%0.03117%0.167CC..BIsolated β-bridgetrans-62.7129177.1-26.70000110.9T503 R506 S675 E726 K751T501-T503 HydrophobicContact CG2-CG2 4.47Å; T501-T503 PolarHBondContact O-N 3.35Å; T501-R506 PolarHBondContact O-NH1 3.49Å; T501-S675 PolarHBondContact OG1-OG 2.99Å; T501-E726 PolarHBondContact OG1-OE1 2.94Å; T501-K751 HydrophobicContact CG2-CB 4Å; T501-K751 HydrophobicContact CG2-CD 3.77Å; T501-K751 HydrophobicContact CG2-CG 4.01Å
502I95.2Very high94.3Very high49 Ų4931 Ų3125%0.25116%0.156SC..  trans-67.8123.2170.8-55.9173.2000108.3L500 F512 P515 G752L500-I502 PolarHBondContact O-N 2.77Å; I502-F512 HydrophobicContact CD1-CB 4.37Å; I502-F512 HydrophobicContact CG1-CB 4.24Å; I502-F512 HydrophobicContact CG1-CD1 3.7Å; I502-F512 HydrophobicContact CG1-CE1 4.13Å; I502-F512 HydrophobicContact CG1-CG 3.96Å; I502-F512 HydrophobicContact CG2-CD2 4.37Å; I502-F512 HydrophobicContact CG2-CG 4.35Å; I502-P515 HydrophobicContact CD1-CB 4.07Å; I502-G752 PolarHBondContact N-O 3.41Å
503T92.5Very high94.5Very high32 Ų3226.1 Ų26.120%0.19614%0.136CC..  trans-138.8153177.569.70000110.5T501 V505 R506 E507T501-T503 HydrophobicContact CG2-CG2 4.47Å; T501-T503 PolarHBondContact O-N 3.35Å; T503-V505 VanDerWaalsContact C-N 3.29Å; T503-V505 PolarHBondContact O-N 2.95Å; T503-V505 WeakPolarHBondContact OG1-CG2 3.38Å; T503-R506 PolarHBondContact O-N 2.89Å; T503-R506 WeakPolarHBondContact OG1-CD 3.32Å; T503-R506 VanDerWaalsContact OG1-CG 3.29Å; T503-R506 WeakPolarHBondContact OG1-CG 3.34Å; T503-E507 PolarHBondContact O-N 3.46Å
504L91.4Very high94.6Very high135 Ų13531.8 Ų31.871%0.70716%0.161SC*.Hα-helixtrans-53.9-44.1-178.6-178.264.6000112.7R506 E507 E508L504-R506 VanDerWaalsContact C-N 3.28Å; L504-R506 PolarHBondContact O-N 3.03Å; L504-E507 PolarHBondContact O-N 3.01Å; L504-E508 PolarHBondContact O-N 2.85Å
505V92.1Very high94.7Very high36 Ų3633.5 Ų33.522%0.21817%0.173CC..Hα-helixtrans-69.4-24.5-179-65.60000113.7W481 T503W481-V505 HydrophobicContact CH2-CB 4.17Å; W481-V505 HydrophobicContact CH2-CG2 4.08Å; W481-V505 WeakPolarHBondContact CH2-O 3.49Å; W481-V505 VanDerWaalsContact CZ2-O 3.3Å; W481-V505 WeakPolarHBondContact CZ2-O 3.31Å; T503-V505 VanDerWaalsContact C-N 3.29Å; T503-V505 PolarHBondContact O-N 2.95Å; T503-V505 WeakPolarHBondContact OG1-CG2 3.38Å
506R94Very high94.7Very high13 Ų1334 Ų345%0.04918%0.176CC..Hα-helixtrans-83.8-39.7177.1-69.5174.6177.9164.9-5.3110.3G472 W481 V485 T501 T503 L504 E508 V509 I510 F512G472-R506 PolarHBondContact O-NE 3.21Å; G472-R506 PolarHBondContact O-NH2 3.46Å; W481-R506 HydrophobicContact CH2-CG 4.15Å; W481-R506 HydrophobicContact CZ3-CG 4.14Å; V485-R506 HydrophobicContact CG2-CG 4.16Å; T501-R506 PolarHBondContact O-NH1 3.49Å; T503-R506 PolarHBondContact O-N 2.89Å; T503-R506 WeakPolarHBondContact OG1-CD 3.32Å; T503-R506 VanDerWaalsContact OG1-CG 3.29Å; T503-R506 WeakPolarHBondContact OG1-CG 3.34Å; L504-R506 VanDerWaalsContact C-N 3.28Å; L504-R506 PolarHBondContact O-N 3.03Å; R506-E508 PolarHBondContact O-N 3.21Å; R506-V509 VanDerWaalsContact O-CG2 3.31Å; R506-V509 WeakPolarHBondContact O-CG2 3.33Å; R506-V509 PolarHBondContact O-N 3.28Å; R506-I510 HydrophobicContact CB-CD1 4.32Å; R506-I510 HydrophobicContact CB-CG1 4.35Å; R506-I510 WeakPolarHBondContact O-CG1 3.49Å; R506-I510 PolarHBondContact O-N 3.4Å; R506-F512 HydrophobicContact CB-CE2 3.66Å; R506-F512 HydrophobicContact CB-CZ 4Å
507E92.6Very high94.5Very high70 Ų7034.5 Ų34.533%0.32718%0.178SC..Hα-helixtrans-58.4-27.6176-154.474.8-158.600112.8T503 L504 V509 I510 F512T503-E507 PolarHBondContact O-N 3.46Å; L504-E507 PolarHBondContact O-N 3.01Å; E507-V509 VanDerWaalsContact C-N 3.28Å; E507-V509 PolarHBondContact O-N 2.73Å; E507-I510 CarbonylContact C-O 3.57Å; E507-I510 WeakPolarHBondContact CA-O 3.41Å; E507-F512 WeakPolarHBondContact OE2-CD2 3.27Å
508E92.8Very high94.4Very high106 Ų10639.1 Ų39.150%0.49521%0.21SC..THydrogen-bonded Turntrans-63-33.6175.3-74.4174-170.500112.8L504 R506 K759L504-E508 PolarHBondContact O-N 2.85Å; R506-E508 PolarHBondContact O-N 3.21Å; E508-K759 PolarHBondContact O-NZ 2.9Å
509V92.9Very high94.3Very high38 Ų3839.4 Ų39.423%0.2321%0.212CC..THydrogen-bonded Turntrans-112.1-22.2-169.4-60.20000114.4W481 V485 V489 R506 E507W481-V509 HydrophobicContact CD2-CG2 4.44Å; W481-V509 HydrophobicContact CZ2-CG1 4.29Å; W481-V509 HydrophobicContact CZ2-CG2 3.9Å; V485-V509 HydrophobicContact CG1-CG2 3.88Å; V489-V509 HydrophobicContact CG2-CB 3.86Å; V489-V509 HydrophobicContact CG2-CG2 3.88Å; R506-V509 VanDerWaalsContact O-CG2 3.31Å; R506-V509 WeakPolarHBondContact O-CG2 3.33Å; R506-V509 PolarHBondContact O-N 3.28Å; E507-V509 VanDerWaalsContact C-N 3.28Å; E507-V509 PolarHBondContact O-N 2.73Å
510I95.5Very high94.3Very high0 Ų039.3 Ų39.30%021%0.211CC..EExtended strand (participates in β ladder)trans-138.3152.9177.951.1170.2000109.6V485 L488 V489 L500 R506 E507 F512 A756V485-I510 HydrophobicContact CB-CD1 4.49Å; V485-I510 HydrophobicContact CG1-CD1 4.08Å; V485-I510 HydrophobicContact CG1-CG1 4.48Å; V485-I510 HydrophobicContact CG2-CD1 4.06Å; L488-I510 HydrophobicContact CB-CG2 3.78Å; L488-I510 HydrophobicContact CD1-CD1 4.35Å; L488-I510 HydrophobicContact CD1-CG2 4.2Å; V489-I510 HydrophobicContact CG2-CG2 3.83Å; L500-I510 HydrophobicContact CD2-CD1 4.2Å; R506-I510 HydrophobicContact CB-CD1 4.32Å; R506-I510 HydrophobicContact CB-CG1 4.35Å; R506-I510 WeakPolarHBondContact O-CG1 3.49Å; R506-I510 PolarHBondContact O-N 3.4Å; E507-I510 CarbonylContact C-O 3.57Å; E507-I510 WeakPolarHBondContact CA-O 3.41Å; I510-F512 HydrophobicContact CD1-CE2 3.69Å; I510-F512 HydrophobicContact CD1-CZ 3.7Å; I510-F512 HydrophobicContact CG1-CD2 4.44Å; I510-F512 HydrophobicContact CG1-CE2 3.83Å; I510-F512 HydrophobicContact CG1-CZ 4.37Å; I510-A756 HydrophobicContact CD1-CB 3.79Å
511D96.2Very high94.3Very high13 Ų1339.3 Ų39.37%0.0721%0.211CC..EExtended strand (participates in β ladder)trans-95.3132.8177.6-74.5-23.6000110.1A756 T757 G760 R764D511-A756 WeakPolarHBondContact O-CA 3.37Å; D511-T757 PolarHBondContact N-O 2.94Å; D511-T757 PolarHBondContact O-N 3.34Å; D511-T757 PolarHBondContact O-OG1 3.4Å; D511-G760 PolarHBondContact OD2-N 2.87Å; D511-G760 VanDerWaalsContact OD2-N 3.09Å; D511-R764 HydrophobicContact CB-CG 4.32Å; D511-R764 IonicContact OD1-NH1 3.95Å; D511-R764 PolarHBondContact OD1-NH1 3.35Å; D511-R764 WeakPolarHBondContact OD2-CD 3.44Å; D511-R764 IonicContact OD2-CZ 3.41Å; D511-R764 IonicContact OD2-NE 3.43Å; D511-R764 IonicContact OD2-NH1 2.67Å; D511-R764 PolarHBondContact OD2-NH1 2.85Å
512F96.3Very high94.3Very high10 Ų1039.1 Ų39.14%0.04421%0.21CC..EExtended strand (participates in β ladder)trans-100.7151.5173.6-74.7-92.9000112.7L500 I502 R506 E507 I510 I755 A756L500-F512 HydrophobicContact CB-CE1 4.45Å; L500-F512 HydrophobicContact CD2-CE1 3.72Å; L500-F512 HydrophobicContact CD2-CZ 3.77Å; L500-F512 HydrophobicContact CG-CE1 3.94Å; L500-F512 HydrophobicContact CG-CZ 4.06Å; I502-F512 HydrophobicContact CD1-CB 4.37Å; I502-F512 HydrophobicContact CG1-CB 4.24Å; I502-F512 HydrophobicContact CG1-CD1 3.7Å; I502-F512 HydrophobicContact CG1-CE1 4.13Å; I502-F512 HydrophobicContact CG1-CG 3.96Å; I502-F512 HydrophobicContact CG2-CD2 4.37Å; I502-F512 HydrophobicContact CG2-CG 4.35Å; R506-F512 HydrophobicContact CB-CE2 3.66Å; R506-F512 HydrophobicContact CB-CZ 4Å; E507-F512 WeakPolarHBondContact OE2-CD2 3.27Å; I510-F512 HydrophobicContact CD1-CE2 3.69Å; I510-F512 HydrophobicContact CD1-CZ 3.7Å; I510-F512 HydrophobicContact CG1-CD2 4.44Å; I510-F512 HydrophobicContact CG1-CE2 3.83Å; I510-F512 HydrophobicContact CG1-CZ 4.37Å; F512-I755 CarbonylContact C-O 3.48Å; F512-I755 WeakPolarHBondContact CA-O 3.42Å; F512-A756 HydrophobicContact CD1-CB 4Å; F512-A756 HydrophobicContact CE1-CB 3.81Å; F512-A756 HydrophobicContact CZ-CB 4.22Å
513S95.4Very high94.2Very high10 Ų1036.8 Ų36.87%0.0720%0.198CC..PPolyproline II helixtrans-72.3173162.572.90000111.3I755S513-I755 PolarHBondContact N-O 3.32Å; S513-I755 PolarHBondContact OG-N 3.43Å
514K95.2Very high94.4Very high120 Ų12035.3 Ų35.352%0.52219%0.189SC..SBendtrans-54.4146.2160.6-67.6-55.2178.8-171.90110.3F516 N768 L772K514-F516 PolarHBondContact O-N 3.26Å; K514-N768 WeakPolarHBondContact CG-OD1 3.1Å; K514-N768 PolarHBondContact N-OD1 3.49Å; K514-L772 HydrophobicContact CB-CD2 4.25Å; K514-L772 HydrophobicContact CG-CD2 4.13Å; K514-L772 HydrophobicContact CG-CG 4.48Å
515P96.2Very high94.5Very high63 Ų6329.3 Ų29.341%0.40916%0.158SC..PPolyproline II helixtrans-65.5132.3-177.725.7-33.4000110.4I502 Y753I502-P515 HydrophobicContact CD1-CB 4.07Å; P515-Y753 CarbonylContact C-O 3.6Å; P515-Y753 WeakPolarHBondContact CA-O 3.46Å
516F95.2Very high94.5Very high12 Ų1230.1 Ų30.15%0.05316%0.158CC..SBendtrans-94.2-12.1177.967.5-99.5000112.5Y445 L449 K514 Y753 I755 V771 L780Y445-F516 HydrophobicContact CD1-CE2 4.49Å; Y445-F516 AromaticContact CE1-CD2 3.92Å; Y445-F516 HydrophobicContact CE1-CD2 3.92Å; Y445-F516 AromaticContact CE1-CE2 3.58Å; Y445-F516 HydrophobicContact CE1-CE2 3.58Å; L449-F516 HydrophobicContact CD2-CD1 4.35Å; L449-F516 HydrophobicContact CD2-CD2 4.14Å; L449-F516 HydrophobicContact CD2-CE1 4.35Å; L449-F516 HydrophobicContact CD2-CE2 4.17Å; L449-F516 HydrophobicContact CD2-CG 4.24Å; L449-F516 HydrophobicContact CD2-CZ 4.25Å; K514-F516 PolarHBondContact O-N 3.26Å; F516-Y753 WeakPolarHBondContact CD1-O 3.44Å; F516-Y753 HydrophobicContact CE2-CD2 4.35Å; F516-Y753 VanDerWaalsContact CZ-CB 3.4Å; F516-Y753 HydrophobicContact CZ-CD2 4.26Å; F516-Y753 HydrophobicContact CZ-CG 4.26Å; F516-Y753 PolarHBondContact N-O 3.27Å; F516-I755 HydrophobicContact CD1-CG1 4.12Å; F516-I755 HydrophobicContact CE1-CG1 4.29Å; F516-V771 HydrophobicContact CB-CG1 3.9Å; F516-L780 HydrophobicContact CB-CD1 3.98Å
517M94Very high94.2Very high10 Ų1032.7 Ų32.75%0.04917%0.17CC..EExtended strand (participates in β ladder)trans-151.5122.9178.1-173.5175.4-70.500110.2Y445 T728 G752 Y753 K784 W788Y445-M517 HydrophobicContact CD2-CE 4.42Å; Y445-M517 HydrophobicContact CE1-CE 3.93Å; Y445-M517 HydrophobicContact CE2-CE 3.78Å; M517-T728 HydrophobicContact CG-CG2 4.04Å; M517-T728 HydrophobicContact SD-CG2 3.45Å; M517-T728 WeakPolarHBondContact SD-CG2 3.23Å; M517-G752 WeakPolarHBondContact O-CA 3.49Å; M517-Y753 HydrophobicContact CB-CD2 4.29Å; M517-Y753 PolarHBondContact O-N 3.42Å; M517-Y753 HydrophobicContact SD-CD2 4.3Å; M517-Y753 HydrophobicContact SD-CE2 4.43Å; M517-K784 HydrophobicContact CE-CB 4.41Å; M517-K784 HydrophobicContact CE-CD 4.38Å; M517-K784 HydrophobicContact CE-CG 4.24Å; M517-W788 HydrophobicContact CE-CH2 4.01Å; M517-W788 HydrophobicContact CE-CZ3 4.24Å; M517-W788 HydrophobicContact SD-CH2 4.39Å
518S94.1Very high93.6Very high99 Ų9931.1 Ų31.169%0.69217%0.165SC*.EExtended strand (participates in β ladder)trans-84.2139.8174.9-58.90000111.3
519L94.1Very high92.6Very high5 Ų534.1 Ų34.13%0.02618%0.18CC..EExtended strand (participates in β ladder)trans-154.4176.4-177.863.294.4000111E726 S727 T728 K751 Y753L519-E726 HydrophobicContact CD1-CB 3.99Å; L519-E726 HydrophobicContact CD1-CG 3.77Å; L519-S727 WeakPolarHBondContact CA-OG 3.39Å; L519-T728 HydrophobicContact CB-CG2 3.81Å; L519-T728 HydrophobicContact CD2-CG2 4.21Å; L519-K751 HydrophobicContact CD1-CB 3.64Å; L519-K751 HydrophobicContact CD1-CD 4.39Å; L519-K751 HydrophobicContact CG-CB 4.19Å; L519-K751 PolarHBondContact N-O 2.93Å; L519-K751 CarbonylContact O-C 3.48Å; L519-K751 WeakPolarHBondContact O-CA 3.39Å; L519-K751 PolarHBondContact O-N 3.05Å; L519-Y753 HydrophobicContact CD2-CD1 3.56Å; L519-Y753 HydrophobicContact CD2-CD2 3.56Å; L519-Y753 HydrophobicContact CD2-CE1 3.33Å; L519-Y753 HydrophobicContact CD2-CE2 3.32Å; L519-Y753 HydrophobicContact CD2-CG 3.66Å
520G94.3Very high91.4Very high0 Ų037 Ų370%019%0.189CC..  trans-157.9177.2165.400000111.3S522 E726 S727 N747 D749G520-S522 PolarHBondContact O-N 2.82Å; G520-E726 CarbonylContact O-C 3.51Å; G520-E726 WeakPolarHBondContact O-CA 3.44Å; G520-S727 PolarHBondContact N-OG 2.73Å; G520-S727 WeakPolarHBondContact O-CB 3.42Å; G520-S727 PolarHBondContact O-N 3.49Å; G520-N747 PolarHBondContact N-ND2 3.25Å; G520-D749 WeakPolarHBondContact CA-O 3.27Å; G520-D749 WeakPolarHBondContact CA-OD1 3.37Å
521I94.7Very high89.8Confident0 Ų041.5 Ų41.50%022%0.22CC..EExtended strand (participates in β ladder)trans-66.7127.1173.1-57.1163.8000107.7T676 F679 F680 L724 N747 L748 D749I521-T676 HydrophobicContact CD1-CG2 3.84Å; I521-T676 HydrophobicContact CG1-CG2 3.91Å; I521-T676 HydrophobicContact CG2-CG2 3.95Å; I521-F679 HydrophobicContact CD1-CB 4.35Å; I521-F679 HydrophobicContact CD1-CD1 3.33Å; I521-F679 HydrophobicContact CD1-CD2 4.47Å; I521-F679 HydrophobicContact CD1-CE1 3.63Å; I521-F679 HydrophobicContact CD1-CG 3.8Å; I521-F679 HydrophobicContact CD1-CZ 4.31Å; I521-F680 HydrophobicContact CD1-CE2 4.35Å; I521-L724 HydrophobicContact CG2-CB 4.3Å; I521-N747 CarbonylContact O-C 3.47Å; I521-N747 WeakPolarHBondContact O-CA 3.15Å; I521-L748 HydrophobicContact CB-CB 4.22Å; I521-L748 HydrophobicContact CB-CD1 4.29Å; I521-L748 HydrophobicContact CB-CG 4.49Å; I521-L748 HydrophobicContact CG2-CD1 3.86Å; I521-L748 PolarHBondContact O-N 3.02Å; I521-D749 VanDerWaalsContact CD1-OD2 3.31Å; I521-D749 WeakPolarHBondContact CD1-OD2 3.31Å; I521-D749 PolarHBondContact N-OD1 2.88Å
522S94.8Very high88.1Confident0 Ų049.7 Ų49.70%026%0.255CS..EExtended strand (participates in β ladder)trans-125160178.370.40000110.1G520 L725 S727 N730G520-S522 PolarHBondContact O-N 2.82Å; S522-L725 PolarHBondContact N-O 3.4Å; S522-L725 PolarHBondContact O-N 3.21Å; S522-L725 VanDerWaalsContact O-N 3.16Å; S522-L725 VanDerWaalsContact O-O 3.09Å; S522-L725 PolarHBondContact OG-O 2.98Å; S522-S727 WeakPolarHBondContact OG-CA 3.31Å; S522-N730 VanDerWaalsContact OG-CB 3.25Å; S522-N730 WeakPolarHBondContact OG-CB 3.35Å; S522-N730 PolarHBondContact OG-ND2 2.87Å
523I95Very high86.7Confident1 Ų150.8 Ų50.81%0.00526%0.264CS..EExtended strand (participates in β ladder)trans-101.8120.5-179.6-51.3171.2000107.7I525 A657 L660 A722 L724 N730 K743 V744I523-I525 HydrophobicContact CG2-CG2 4.07Å; I523-A657 HydrophobicContact CD1-CB 4.06Å; I523-L660 HydrophobicContact CD1-CD1 3.97Å; I523-L660 HydrophobicContact CG1-CD1 4.39Å; I523-L660 HydrophobicContact CG2-CD1 3.97Å; I523-A722 HydrophobicContact CG2-CB 4.14Å; I523-L724 HydrophobicContact CB-CD2 4.27Å; I523-L724 HydrophobicContact CG1-CD2 3.71Å; I523-L724 HydrophobicContact CG2-CD2 4.32Å; I523-N730 PolarHBondContact O-ND2 3.48Å; I523-N730 VanDerWaalsContact O-ND2 3.09Å; I523-K743 WeakPolarHBondContact O-CA 3.46Å; I523-V744 HydrophobicContact CB-CG2 3.67Å; I523-V744 HydrophobicContact CG2-CG2 3.65Å; I523-V744 PolarHBondContact O-N 3.46Å; I523-V744 VanDerWaalsContact O-N 3.08Å
524M94.7Very high85.5Confident0 Ų052.6 Ų52.60%028%0.283CS..EExtended strand (participates in β ladder)trans-97.5124.5169.3176.8-176.8-72.600109.2V711 V714 A722 Y723 L725 N730 I733 T741M524-V711 HydrophobicContact CE-CG2 4.2Å; M524-V711 HydrophobicContact SD-CG2 3.97Å; M524-V714 HydrophobicContact CG-CG1 4.39Å; M524-A722 WeakPolarHBondContact O-CA 3.26Å; M524-Y723 PolarHBondContact N-O 3.38Å; M524-Y723 PolarHBondContact O-N 2.9Å; M524-L725 HydrophobicContact CB-CD2 3.44Å; M524-L725 VanDerWaalsContact CB-CD2 3.44Å; M524-L725 HydrophobicContact CE-CD1 3.86Å; M524-L725 HydrophobicContact CE-CD2 3.95Å; M524-L725 HydrophobicContact CG-CD2 4.47Å; M524-L725 HydrophobicContact SD-CD2 4.38Å; M524-N730 WeakPolarHBondContact CB-OD1 3.41Å; M524-N730 HydrophobicContact CE-CB 4.39Å; M524-N730 VanDerWaalsContact CE-OD1 3.28Å; M524-N730 WeakPolarHBondContact CE-OD1 3.48Å; M524-I733 HydrophobicContact CE-CB 3.65Å; M524-I733 HydrophobicContact CE-CG1 4.15Å; M524-I733 HydrophobicContact CE-CG2 3.63Å; M524-I733 HydrophobicContact SD-CG2 4.34Å; M524-T741 HydrophobicContact CG-CG2 4.17Å; M524-T741 HydrophobicContact SD-CG2 3.92Å
525I93.8Very high84.6Confident10 Ų1049.8 Ų49.85%0.05128%0.276CS..EExtended strand (participates in β ladder)trans-121.7166.616964.3167.4000109.8I523 S652 I654 A722 T741 M742 V744I523-I525 HydrophobicContact CG2-CG2 4.07Å; I525-S652 WeakPolarHBondContact CD1-OG 3.46Å; I525-I654 HydrophobicContact CG2-CD1 4.16Å; I525-A722 HydrophobicContact CG2-CB 3.96Å; I525-T741 WeakPolarHBondContact O-CA 3.36Å; I525-M742 HydrophobicContact CD1-CG 4.08Å; I525-M742 HydrophobicContact CD1-SD 4.09Å; I525-M742 HydrophobicContact CG1-CG 3.58Å; I525-M742 HydrophobicContact CG1-SD 4.26Å; I525-M742 PolarHBondContact N-O 2.78Å; I525-M742 VanDerWaalsContact N-O 3.15Å; I525-M742 PolarHBondContact O-N 3.22Å; I525-V744 HydrophobicContact CD1-CG1 3.44Å; I525-V744 VanDerWaalsContact CD1-CG1 3.44Å; I525-V744 HydrophobicContact CD1-CG2 4.3Å; I525-V744 HydrophobicContact CG1-CG1 3.75Å; I525-V744 HydrophobicContact CG1-CG2 4.25Å; I525-V744 HydrophobicContact CG2-CG2 4.06Å
526K92.1Very high83.7Confident52 Ų5252.5 Ų52.523%0.22628%0.282CS..EExtended strand (participates in β ladder)trans-72.1128.7167.9-170.2173.8-174.41620108.7V714 R715 D740K526-V714 HydrophobicContact CB-CG1 4.15Å; K526-V714 VanDerWaalsContact N-CG1 3.34Å; K526-R715 PolarHBondContact NZ-O 3.2Å; K526-D740 CarbonylContact C-O 3.55Å; K526-D740 VanDerWaalsContact CA-O 3.31Å; K526-D740 WeakPolarHBondContact CA-O 3.34Å; K526-D740 WeakPolarHBondContact CG-O 3.46Å
527K88Confident83Confident67 Ų6752.4 Ų52.429%0.29128%0.283SS..PPolyproline II helixtrans-56.9123.1173.2-170.4172.1-176.4173.20108.6Q529 D740 M742K527-Q529 PolarHBondContact O-N 2.97Å; K527-D740 PolarHBondContact N-O 2.7Å; K527-M742 HydrophobicContact CB-CB 4.42Å; K527-M742 HydrophobicContact CB-CG 4.35Å; K527-M742 HydrophobicContact CB-SD 4.44Å; K527-M742 HydrophobicContact CG-SD 4.27Å
528P81.2Confident82.4Confident37 Ų3753.7 Ų53.724%0.2429%0.288CS..PPolyproline II helixtrans-62.5138-179.625.5-32.4000109.2M650 M742P528-M650 HydrophobicContact CG-CB 4.41Å; P528-M742 VanDerWaalsContact CD-SD 3.58Å
529Q71.9Confident82.1Confident170 Ų17052 Ų5279%0.79427%0.271SS*.PPolyproline II helixtrans-71.2147.6169.7-66.5-176.3-37.200108.5K527 S531K527-Q529 PolarHBondContact O-N 2.97Å; Q529-S531 PolarHBondContact O-N 2.93Å
530K66.3Low81.7Confident99 Ų9956.4 Ų56.443%0.4329%0.294SS..  trans-49.8115.4173.2-60.7-175.5-174.4-179.90107.7K532 E648 M650 D800K530-K532 PolarHBondContact O-N 2.95Å; K530-E648 VanDerWaalsContact CD-OE2 3.26Å; K530-E648 WeakPolarHBondContact CD-OE2 3.03Å; K530-M650 HydrophobicContact CG-CE 4.19Å; K530-D800 IonicContact NZ-OD2 2.81Å; K530-D800 PolarHBondContact NZ-OD2 3.3Å
531S61.5Low81.4Confident93 Ų9356.9 Ų56.965%0.6530%0.298SS*.PPolyproline II helixtrans-63.5124.1-172.4460000108.5Q529 P533Q529-S531 PolarHBondContact O-N 2.93Å; S531-P533 WeakPolarHBondContact O-CD 3.45Å
532K62.3Low81.2Confident185 Ų18557.5 Ų57.580%0.80430%0.301SS*.PPolyproline II helixtrans-59.5125.1172.4-68.3-175.4178.7-177.70107.6K530 G534K530-K532 PolarHBondContact O-N 2.95Å; K532-G534 PolarHBondContact O-N 2.78Å
533P65.8Low81Confident34 Ų3459.9 Ų59.922%0.22132%0.32CS..PPolyproline II helixtrans-54.5140.9178.4-25.234.7000110S531 S537 N812S531-P533 WeakPolarHBondContact O-CD 3.45Å; P533-S537 VanDerWaalsContact CB-OG 3.27Å; P533-S537 WeakPolarHBondContact CB-OG 3.44Å; P533-N812 WeakPolarHBondContact CD-OD1 3.46Å; P533-N812 VanDerWaalsContact CG-OD1 3.26Å; P533-N812 WeakPolarHBondContact CG-OD1 3.42Å
534G69.8Low80.9Confident47 Ų4767.6 Ų67.649%0.48535%0.35SS..PPolyproline II helixtrans-59.9160.9173.300000111K532 F536 S537K532-G534 PolarHBondContact O-N 2.78Å; G534-F536 PolarHBondContact O-N 3.19Å; G534-F536 VanDerWaalsContact O-N 3.08Å; G534-S537 VanDerWaalsContact O-CB 3.26Å; G534-S537 WeakPolarHBondContact O-CB 3.26Å; G534-S537 PolarHBondContact O-N 2.85Å; G534-S537 PolarHBondContact O-OG 2.81Å
535V76.7Confident80.8Confident61 Ų6173.6 Ų73.637%0.3738%0.379SS..THydrogen-bonded Turntrans-55.7-28.5177.7177.90000111.9G815 Y818V535-G815 VanDerWaalsContact CG1-CA 3.42Å; V535-G815 VanDerWaalsContact O-CA 3.28Å; V535-G815 WeakPolarHBondContact O-CA 3.47Å; V535-G815 PolarHBondContact O-N 3.33Å; V535-Y818 HydrophobicContact CG1-CD2 3.67Å; V535-Y818 HydrophobicContact CG1-CE2 3.75Å
536F78.5Confident80.8Confident120 Ų12076.2 Ų76.253%0.52639%0.392SS..THydrogen-bonded Turntrans-102.117.6179.7-60.6-67.8000114.3G534 F538 L539G534-F536 PolarHBondContact O-N 3.19Å; G534-F536 VanDerWaalsContact O-N 3.08Å; F536-F538 HydrophobicContact CD1-CE1 4Å; F536-F538 HydrophobicContact CD1-CZ 4.14Å; F536-F538 PolarHBondContact O-N 3.35Å; F536-L539 HydrophobicContact CB-CD1 4.23Å; F536-L539 WeakPolarHBondContact O-CB 3.35Å; F536-L539 PolarHBondContact O-N 3.1Å
537S78.8Confident80.8Confident10 Ų1077.5 Ų77.57%0.0740%0.395CS..G310 helixtrans-60.2-18.9-178.451.40000114.8P533 G534 L539 D540P533-S537 VanDerWaalsContact CB-OG 3.27Å; P533-S537 WeakPolarHBondContact CB-OG 3.44Å; G534-S537 VanDerWaalsContact O-CB 3.26Å; G534-S537 WeakPolarHBondContact O-CB 3.26Å; G534-S537 PolarHBondContact O-N 2.85Å; G534-S537 PolarHBondContact O-OG 2.81Å; S537-L539 PolarHBondContact O-N 3.23Å; S537-D540 WeakPolarHBondContact CA-OD2 3.26Å; S537-D540 WeakPolarHBondContact O-CB 3.35Å; S537-D540 PolarHBondContact O-N 3.19Å
538F82.7Confident81.1Confident37 Ų3777.8 Ų77.816%0.16240%0.399CS..G310 helixtrans-67.7-13.7172.768.3-90.3000113.4F536 P541 Y637 V816 I819F536-F538 HydrophobicContact CD1-CE1 4Å; F536-F538 HydrophobicContact CD1-CZ 4.14Å; F536-F538 PolarHBondContact O-N 3.35Å; F538-P541 WeakPolarHBondContact O-CD 3.45Å; F538-Y637 WeakPolarHBondContact O-CE2 3.43Å; F538-Y637 PolarHBondContact O-OH 2.92Å; F538-V816 HydrophobicContact CD1-CG2 3.87Å; F538-V816 HydrophobicContact CD2-CG2 4.41Å; F538-V816 HydrophobicContact CE1-CG2 4.12Å; F538-V816 HydrophobicContact CG-CG2 4.04Å; F538-I819 HydrophobicContact CE1-CD1 4.48Å; F538-I819 HydrophobicContact CE2-CD1 4.33Å; F538-I819 HydrophobicContact CZ-CD1 3.59Å
539L87.2Confident81.7Confident65 Ų6579.9 Ų79.934%0.3441%0.413SS..G310 helixtrans-85.4-24.6174-62.6178.1000112.7F536 S537 L542 W547F536-L539 HydrophobicContact CB-CD1 4.23Å; F536-L539 WeakPolarHBondContact O-CB 3.35Å; F536-L539 PolarHBondContact O-N 3.1Å; S537-L539 PolarHBondContact O-N 3.23Å; L539-L542 PolarHBondContact O-N 3.4Å; L539-W547 HydrophobicContact CD2-CH2 4.37Å; L539-W547 HydrophobicContact CD2-CZ2 3.79Å; L539-W547 PolarHBondContact O-NE1 3.38Å
540D85.5Confident82.7Confident96 Ų9672.3 Ų72.351%0.51338%0.378SS..THydrogen-bonded Turntrans-59.4-29.3-175.7-61.3-16.6000115.7S537 L542 F644S537-D540 WeakPolarHBondContact CA-OD2 3.26Å; S537-D540 WeakPolarHBondContact O-CB 3.35Å; S537-D540 PolarHBondContact O-N 3.19Å; D540-L542 PolarHBondContact O-N 2.9Å; D540-L542 VanDerWaalsContact O-N 3.12Å; D540-F644 HydrophobicContact CB-CE2 4.31Å; D540-F644 HydrophobicContact CB-CZ 4.22Å
541P88.2Confident84Confident11 Ų1171.1 Ų71.17%0.07138%0.379CS..THydrogen-bonded Turntrans-61.5-18.7178.3-26.235.2000115.1F538 Y637 N640 L641F538-P541 WeakPolarHBondContact O-CD 3.45Å; P541-Y637 HydrophobicContact CB-CD2 4.02Å; P541-Y637 HydrophobicContact CB-CE2 3.95Å; P541-Y637 HydrophobicContact CG-CE2 4.01Å; P541-N640 HydrophobicContact CB-CB 3.86Å; P541-N640 PolarHBondContact O-ND2 2.7Å; P541-L641 HydrophobicContact CB-CB 4.38Å; P541-L641 HydrophobicContact CG-CB 4.03Å; P541-L641 HydrophobicContact CG-CD1 3.79Å
542L90.3Very high85.5Confident13 Ų1373.2 Ų73.27%0.06838%0.377CS..SBendtrans-122.2132.4172.5-74.5174.3000109.4L539 D540 I546 W547 I550 Y637L539-L542 PolarHBondContact O-N 3.4Å; D540-L542 PolarHBondContact O-N 2.9Å; D540-L542 VanDerWaalsContact O-N 3.12Å; L542-I546 HydrophobicContact CD2-CD1 3.99Å; L542-I546 HydrophobicContact CD2-CG2 4.21Å; L542-W547 HydrophobicContact CD1-CZ2 4.31Å; L542-W547 PolarHBondContact O-NE1 2.99Å; L542-I550 HydrophobicContact CD1-CD1 4.43Å; L542-Y637 HydrophobicContact CD1-CD2 3.84Å; L542-Y637 HydrophobicContact CD1-CG 4.38Å; L542-Y637 HydrophobicContact CG-CD2 3.96Å
543A91.6Very high87Confident49 Ų4966 Ų6641%0.40535%0.351SS..  trans-61.2151.417800000111.4E545 I546 W547A543-E545 VanDerWaalsContact CB-OE2 3.3Å; A543-E545 WeakPolarHBondContact CB-OE2 3.29Å; A543-E545 PolarHBondContact O-N 2.74Å; A543-I546 HydrophobicContact CB-CD1 4.18Å; A543-I546 HydrophobicContact CB-CG1 4.29Å; A543-I546 WeakPolarHBondContact O-CB 3.46Å; A543-I546 PolarHBondContact O-N 3.4Å; A543-W547 PolarHBondContact O-N 3.29Å
544Y91.2Very high88.3Confident163 Ų16366.5 Ų66.564%0.63935%0.349SS*.Hα-helixtrans-56.7-36.4-177.8177.5-102.2000112.3I546 W547 M548Y544-I546 VanDerWaalsContact C-N 3.29Å; Y544-I546 PolarHBondContact O-N 3.3Å; Y544-W547 WeakPolarHBondContact O-CB 3.46Å; Y544-W547 PolarHBondContact O-N 3.25Å; Y544-M548 HydrophobicContact CD1-CG 4.3Å; Y544-M548 HydrophobicContact CE1-CG 3.84Å; Y544-M548 HydrophobicContact CE1-SD 4.39Å; Y544-M548 WeakPolarHBondContact O-CG 3.34Å; Y544-M548 PolarHBondContact O-N 3.21Å; Y544-M548 VanDerWaalsContact O-N 3.13Å
545E93.8Very high89.4Confident127 Ų12768.2 Ų68.259%0.59335%0.346SS*.Hα-helixtrans-60.8-38.6177.3-60.277.6-171.500111.6A543 M548 C549A543-E545 VanDerWaalsContact CB-OE2 3.3Å; A543-E545 WeakPolarHBondContact CB-OE2 3.29Å; A543-E545 PolarHBondContact O-N 2.74Å; E545-M548 PolarHBondContact O-N 2.97Å; E545-C549 PolarHBondContact O-N 2.94Å; E545-C549 PolarHBondContact O-SG 3.08Å; E545-C549 VanDerWaalsContact O-SG 3.33Å
546I93.7Very high90.2Very high65 Ų6566.9 Ų66.933%0.33335%0.345SS..Hα-helixtrans-69-41.8179.7-57.4172.8000110L542 A543 Y544 M548 C549 I550L542-I546 HydrophobicContact CD2-CD1 3.99Å; L542-I546 HydrophobicContact CD2-CG2 4.21Å; A543-I546 HydrophobicContact CB-CD1 4.18Å; A543-I546 HydrophobicContact CB-CG1 4.29Å; A543-I546 WeakPolarHBondContact O-CB 3.46Å; A543-I546 PolarHBondContact O-N 3.4Å; Y544-I546 VanDerWaalsContact C-N 3.29Å; Y544-I546 PolarHBondContact O-N 3.3Å; I546-M548 VanDerWaalsContact C-N 3.29Å; I546-M548 PolarHBondContact O-N 2.75Å; I546-C549 PolarHBondContact O-N 2.69Å; I546-I550 HydrophobicContact CG2-CD1 3.97Å; I546-I550 HydrophobicContact CG2-CG1 4.37Å; I546-I550 VanDerWaalsContact O-CG1 3.29Å; I546-I550 WeakPolarHBondContact O-CG1 3.37Å; I546-I550 PolarHBondContact O-N 2.98Å
547W92.9Very high90.8Very high78 Ų7862.6 Ų62.630%0.29533%0.329SS..Hα-helixtrans-57.4-43.5174.4-76.2110.3000112L539 L542 A543 Y544 I550 V551L539-W547 HydrophobicContact CD2-CH2 4.37Å; L539-W547 HydrophobicContact CD2-CZ2 3.79Å; L539-W547 PolarHBondContact O-NE1 3.38Å; L542-W547 HydrophobicContact CD1-CZ2 4.31Å; L542-W547 PolarHBondContact O-NE1 2.99Å; A543-W547 PolarHBondContact O-N 3.29Å; Y544-W547 WeakPolarHBondContact O-CB 3.46Å; Y544-W547 PolarHBondContact O-N 3.25Å; W547-I550 HydrophobicContact CE3-CD1 4.4Å; W547-I550 PolarHBondContact O-N 3.45Å; W547-V551 WeakPolarHBondContact O-CG2 3.37Å; W547-V551 PolarHBondContact O-N 3.27Å; W547-V551 VanDerWaalsContact O-N 3.12Å
548M92.9Very high91.4Very high73 Ų7362.4 Ų62.436%0.3633%0.327SS..Hα-helixtrans-63.2-44175.9-66.9-59.5-65.200112Y544 E545 I546 I550 V551 F552Y544-M548 HydrophobicContact CD1-CG 4.3Å; Y544-M548 HydrophobicContact CE1-CG 3.84Å; Y544-M548 HydrophobicContact CE1-SD 4.39Å; Y544-M548 WeakPolarHBondContact O-CG 3.34Å; Y544-M548 PolarHBondContact O-N 3.21Å; Y544-M548 VanDerWaalsContact O-N 3.13Å; E545-M548 PolarHBondContact O-N 2.97Å; I546-M548 VanDerWaalsContact C-N 3.29Å; I546-M548 PolarHBondContact O-N 2.75Å; M548-I550 VanDerWaalsContact C-N 3.33Å; M548-I550 PolarHBondContact O-N 3.03Å; M548-V551 PolarHBondContact O-N 3.48Å; M548-F552 HydrophobicContact CE-CE2 4.32Å; M548-F552 HydrophobicContact CE-CZ 4.33Å; M548-F552 WeakPolarHBondContact O-CD2 3.35Å; M548-F552 PolarHBondContact O-N 3.05Å
549C94.6Very high91.7Very high81 Ų8164.1 Ų64.155%0.54734%0.341SS..Hα-helixtrans-61.5-38.8175.4-70.60000112.6E545 I546 F552 A553E545-C549 PolarHBondContact O-N 2.94Å; E545-C549 PolarHBondContact O-SG 3.08Å; E545-C549 VanDerWaalsContact O-SG 3.33Å; I546-C549 PolarHBondContact O-N 2.69Å; C549-F552 PolarHBondContact O-N 3.44Å; C549-A553 VanDerWaalsContact O-CB 3.26Å; C549-A553 WeakPolarHBondContact O-CB 3.44Å; C549-A553 PolarHBondContact O-N 2.9Å
550I93.1Very high91.9Very high11 Ų1164.1 Ų64.16%0.05634%0.344CS..Hα-helixtrans-62-44.7176.4-70.4164.9000110.5L542 I546 W547 M548 A553 Y554 F605 F629 I633L542-I550 HydrophobicContact CD1-CD1 4.43Å; I546-I550 HydrophobicContact CG2-CD1 3.97Å; I546-I550 HydrophobicContact CG2-CG1 4.37Å; I546-I550 VanDerWaalsContact O-CG1 3.29Å; I546-I550 WeakPolarHBondContact O-CG1 3.37Å; I546-I550 PolarHBondContact O-N 2.98Å; W547-I550 HydrophobicContact CE3-CD1 4.4Å; W547-I550 PolarHBondContact O-N 3.45Å; M548-I550 VanDerWaalsContact C-N 3.33Å; M548-I550 PolarHBondContact O-N 3.03Å; I550-A553 PolarHBondContact O-N 2.95Å; I550-Y554 VanDerWaalsContact O-CB 3.25Å; I550-Y554 WeakPolarHBondContact O-CB 3.42Å; I550-Y554 PolarHBondContact O-N 3.35Å; I550-F605 HydrophobicContact CG2-CE2 3.83Å; I550-F605 HydrophobicContact CG2-CZ 3.95Å; I550-F629 HydrophobicContact CG1-CZ 4.41Å; I550-I633 HydrophobicContact CD1-CG2 3.82Å
551V92.8Very high92Very high74 Ų7459.6 Ų59.645%0.44832%0.319SS..Hα-helixtrans-62.9-44.3178.11740000111.2W547 M548 Y554 I555W547-V551 WeakPolarHBondContact O-CG2 3.37Å; W547-V551 PolarHBondContact O-N 3.27Å; W547-V551 VanDerWaalsContact O-N 3.12Å; M548-V551 PolarHBondContact O-N 3.48Å; V551-Y554 PolarHBondContact O-N 3.27Å; V551-I555 HydrophobicContact CG1-CD1 4.12Å; V551-I555 WeakPolarHBondContact O-CG1 3.43Å; V551-I555 PolarHBondContact O-N 3.46Å; V551-I555 VanDerWaalsContact O-N 3.09Å
552F94.1Very high92Very high138 Ų13861.8 Ų61.861%0.60533%0.328SS*.Hα-helixtrans-65.2-42.4176.5-70.1-48.5000112.6M548 C549 I555 G556M548-F552 HydrophobicContact CE-CE2 4.32Å; M548-F552 HydrophobicContact CE-CZ 4.33Å; M548-F552 WeakPolarHBondContact O-CD2 3.35Å; M548-F552 PolarHBondContact O-N 3.05Å; C549-F552 PolarHBondContact O-N 3.44Å; F552-I555 PolarHBondContact O-N 3.21Å; F552-G556 PolarHBondContact O-N 3.07Å
553A93.4Very high91.8Very high32 Ų3264.8 Ų64.826%0.26434%0.344SS..Hα-helixtrans-63.5-41.8176.700000111.4C549 I550 G556 V557 W626 F629C549-A553 VanDerWaalsContact O-CB 3.26Å; C549-A553 WeakPolarHBondContact O-CB 3.44Å; C549-A553 PolarHBondContact O-N 2.9Å; I550-A553 PolarHBondContact O-N 2.95Å; A553-G556 PolarHBondContact O-N 3.15Å; A553-V557 WeakPolarHBondContact O-CB 3.33Å; A553-V557 VanDerWaalsContact O-CG2 3.28Å; A553-V557 WeakPolarHBondContact O-CG2 3.35Å; A553-V557 PolarHBondContact O-N 3.43Å; A553-W626 HydrophobicContact CB-CZ3 4.12Å; A553-F629 HydrophobicContact CB-CZ 4.45Å
554Y93Very high91.6Very high45 Ų4564 Ų6418%0.17633%0.333CS..Hα-helixtrans-58.7-49.3175.8165.1-110.1000112.3I550 V551 S558 L598 S601 L602 W626I550-Y554 VanDerWaalsContact O-CB 3.25Å; I550-Y554 WeakPolarHBondContact O-CB 3.42Å; I550-Y554 PolarHBondContact O-N 3.35Å; V551-Y554 PolarHBondContact O-N 3.27Å; Y554-S558 WeakPolarHBondContact O-CB 3.34Å; Y554-S558 PolarHBondContact O-N 3.27Å; Y554-S558 PolarHBondContact O-OG 2.97Å; Y554-L598 HydrophobicContact CE1-CD1 4.27Å; Y554-L598 HydrophobicContact CE1-CG 4.23Å; Y554-L598 WeakPolarHBondContact OH-CD2 3.38Å; Y554-L598 WeakPolarHBondContact OH-CG 3.42Å; Y554-L598 PolarHBondContact OH-O 3.19Å; Y554-S601 WeakPolarHBondContact CE2-OG 3.5Å; Y554-L602 HydrophobicContact CE2-CB 3.85Å; Y554-L602 HydrophobicContact CE2-CD1 4.37Å; Y554-L602 WeakPolarHBondContact OH-CD1 3.27Å; Y554-W626 HydrophobicContact CD2-CZ2 4.35Å
555I93Very high91.1Very high83 Ų8356.2 Ų56.243%0.42630%0.303SS..Hα-helixtrans-63.7-45.8176.6-64167.8000109.9V551 F552 V557 S558 V559V551-I555 HydrophobicContact CG1-CD1 4.12Å; V551-I555 WeakPolarHBondContact O-CG1 3.43Å; V551-I555 PolarHBondContact O-N 3.46Å; V551-I555 VanDerWaalsContact O-N 3.09Å; F552-I555 PolarHBondContact O-N 3.21Å; I555-V557 PolarHBondContact O-N 2.8Å; I555-S558 PolarHBondContact O-N 2.91Å; I555-V559 HydrophobicContact CG2-CG2 4.39Å; I555-V559 WeakPolarHBondContact O-CG2 3.47Å; I555-V559 PolarHBondContact O-N 3.13Å
556G92.6Very high90.4Very high34 Ų3456.6 Ų56.635%0.35130%0.299SS..Hα-helixtrans-58.3-48179.400000112.8F552 A553 V559 V560F552-G556 PolarHBondContact O-N 3.07Å; A553-G556 PolarHBondContact O-N 3.15Å; G556-V559 PolarHBondContact O-N 3.06Å; G556-V560 WeakPolarHBondContact O-CB 3.34Å; G556-V560 VanDerWaalsContact O-CG2 3.27Å; G556-V560 WeakPolarHBondContact O-CG2 3.46Å; G556-V560 PolarHBondContact O-N 2.76Å
557V91.5Very high89.7Confident29 Ų2961.2 Ų61.218%0.17632%0.317CS..Hα-helixtrans-64.9-40.7177.61700000111.3A553 I555 V559 V560 L561 V622 W626A553-V557 WeakPolarHBondContact O-CB 3.33Å; A553-V557 VanDerWaalsContact O-CG2 3.28Å; A553-V557 WeakPolarHBondContact O-CG2 3.35Å; A553-V557 PolarHBondContact O-N 3.43Å; I555-V557 PolarHBondContact O-N 2.8Å; V557-V559 VanDerWaalsContact C-N 3.34Å; V557-V559 PolarHBondContact O-N 3.11Å; V557-V560 PolarHBondContact O-N 3.34Å; V557-L561 HydrophobicContact CG1-CD1 4.04Å; V557-L561 HydrophobicContact CG1-CG 4.46Å; V557-L561 WeakPolarHBondContact O-CB 3.17Å; V557-L561 WeakPolarHBondContact O-CG 3.23Å; V557-L561 PolarHBondContact O-N 2.91Å; V557-V622 HydrophobicContact CG1-CG1 4.16Å; V557-W626 HydrophobicContact CB-CD2 4.37Å; V557-W626 HydrophobicContact CB-CE3 4.17Å; V557-W626 HydrophobicContact CB-CZ3 4.5Å; V557-W626 HydrophobicContact CG1-CB 4.09Å; V557-W626 HydrophobicContact CG1-CD2 3.97Å; V557-W626 HydrophobicContact CG1-CE3 4.22Å; V557-W626 HydrophobicContact CG1-CG 3.92Å; V557-W626 HydrophobicContact CG2-CD2 4.24Å; V557-W626 HydrophobicContact CG2-CE3 3.63Å; V557-W626 HydrophobicContact CG2-CZ3 4.01Å
558S90.4Very high88.9Confident6 Ų658.3 Ų58.34%0.04231%0.308CS..Hα-helixtrans-62-41.6177.1-550000112Y554 I555 F562 S601Y554-S558 WeakPolarHBondContact O-CB 3.34Å; Y554-S558 PolarHBondContact O-N 3.27Å; Y554-S558 PolarHBondContact O-OG 2.97Å; I555-S558 PolarHBondContact O-N 2.91Å; S558-F562 WeakPolarHBondContact O-CB 3.44Å; S558-F562 PolarHBondContact O-N 3.4Å; S558-S601 WeakPolarHBondContact OG-CB 3.39Å; S558-S601 PolarHBondContact OG-OG 3.48Å
559V90.6Very high87.7Confident74 Ų7459.4 Ų59.445%0.44832%0.321SS..Hα-helixtrans-69-43.9176.6172.40000111.1I555 G556 V557 F562 L563I555-V559 HydrophobicContact CG2-CG2 4.39Å; I555-V559 WeakPolarHBondContact O-CG2 3.47Å; I555-V559 PolarHBondContact O-N 3.13Å; G556-V559 PolarHBondContact O-N 3.06Å; V557-V559 VanDerWaalsContact C-N 3.34Å; V557-V559 PolarHBondContact O-N 3.11Å; V559-F562 PolarHBondContact O-N 3.17Å; V559-L563 HydrophobicContact CG1-CD1 3.97Å; V559-L563 HydrophobicContact CG1-CG 4.33Å; V559-L563 VanDerWaalsContact O-CG 3.27Å; V559-L563 WeakPolarHBondContact O-CG 3.4Å; V559-L563 PolarHBondContact O-N 3.19Å
560V91Very high86.5Confident65 Ų6564.7 Ų64.739%0.39433%0.331SS..Hα-helixtrans-62.2-44.5177.5171.10000110.8G556 V557 L563 V564 V622G556-V560 WeakPolarHBondContact O-CB 3.34Å; G556-V560 VanDerWaalsContact O-CG2 3.27Å; G556-V560 WeakPolarHBondContact O-CG2 3.46Å; G556-V560 PolarHBondContact O-N 2.76Å; V557-V560 PolarHBondContact O-N 3.34Å; V560-L563 PolarHBondContact O-N 3.19Å; V560-V564 HydrophobicContact CG1-CG2 4.14Å; V560-V564 WeakPolarHBondContact O-CB 3.36Å; V560-V564 VanDerWaalsContact O-CG2 3.22Å; V560-V564 WeakPolarHBondContact O-CG2 3.3Å; V560-V564 PolarHBondContact O-N 3.2Å; V560-V622 HydrophobicContact CG1-CG1 4.13Å; V560-V622 HydrophobicContact CG1-CG2 3.85Å
561L87.2Confident85.3Confident0 Ų064.8 Ų64.80%033%0.331CS..Hα-helixtrans-58.6-50.6173.9-81.7171.3000111V557 L563 V564 S565 F600 V622V557-L561 HydrophobicContact CG1-CD1 4.04Å; V557-L561 HydrophobicContact CG1-CG 4.46Å; V557-L561 WeakPolarHBondContact O-CB 3.17Å; V557-L561 WeakPolarHBondContact O-CG 3.23Å; V557-L561 PolarHBondContact O-N 2.91Å; L561-L563 VanDerWaalsContact C-N 3.3Å; L561-L563 PolarHBondContact O-N 2.98Å; L561-V564 PolarHBondContact O-N 3.23Å; L561-S565 VanDerWaalsContact O-CB 3.24Å; L561-S565 WeakPolarHBondContact O-CB 3.34Å; L561-S565 PolarHBondContact O-N 3.49Å; L561-S565 PolarHBondContact O-OG 2.96Å; L561-F600 HydrophobicContact CD1-CD1 3.56Å; L561-F600 HydrophobicContact CD1-CE1 3.86Å; L561-V622 HydrophobicContact CD2-CB 3.97Å; L561-V622 HydrophobicContact CD2-CG1 3.81Å; L561-V622 HydrophobicContact CG-CB 4.44Å; L561-V622 HydrophobicContact CG-CG1 3.72Å
562F87.3Confident84.1Confident57 Ų5764.7 Ų64.725%0.2532%0.323CS..Hα-helixtrans-55.3-44.4177.6172.1-107.9000112.7S558 V559 R566 I594S558-F562 WeakPolarHBondContact O-CB 3.44Å; S558-F562 PolarHBondContact O-N 3.4Å; V559-F562 PolarHBondContact O-N 3.17Å; F562-R566 WeakPolarHBondContact O-CB 3.48Å; F562-R566 PolarHBondContact O-N 3.42Å; F562-I594 HydrophobicContact CD1-CG1 4.3Å; F562-I594 HydrophobicContact CD2-CB 4.46Å; F562-I594 HydrophobicContact CD2-CG1 3.76Å; F562-I594 HydrophobicContact CE1-CG1 4.02Å; F562-I594 HydrophobicContact CE2-CB 4.49Å; F562-I594 HydrophobicContact CE2-CD1 4.42Å; F562-I594 HydrophobicContact CE2-CG1 3.44Å; F562-I594 VanDerWaalsContact CE2-CG1 3.44Å; F562-I594 HydrophobicContact CG-CG1 4.17Å; F562-I594 HydrophobicContact CZ-CD1 4.13Å; F562-I594 HydrophobicContact CZ-CG1 3.58Å
563L87.4Confident82.7Confident77 Ų7763.2 Ų63.240%0.40332%0.317SS..Hα-helixtrans-66.7-50178-67.6173.5000111.4V559 V560 L561 S565 R566 F567V559-L563 HydrophobicContact CG1-CD1 3.97Å; V559-L563 HydrophobicContact CG1-CG 4.33Å; V559-L563 VanDerWaalsContact O-CG 3.27Å; V559-L563 WeakPolarHBondContact O-CG 3.4Å; V559-L563 PolarHBondContact O-N 3.19Å; V560-L563 PolarHBondContact O-N 3.19Å; L561-L563 VanDerWaalsContact C-N 3.3Å; L561-L563 PolarHBondContact O-N 2.98Å; L563-S565 PolarHBondContact O-N 2.82Å; L563-R566 PolarHBondContact O-N 2.84Å; L563-R566 VanDerWaalsContact O-N 3.15Å; L563-F567 HydrophobicContact CB-CD2 4.36Å; L563-F567 HydrophobicContact CB-CE2 4.47Å; L563-F567 HydrophobicContact CD2-CE2 4.12Å; L563-F567 WeakPolarHBondContact O-CD2 3.27Å; L563-F567 PolarHBondContact O-N 2.92Å
564V86.8Confident80.9Confident31 Ų3165.6 Ų65.619%0.18833%0.329CS..Hα-helixtrans-58.9-40.7179.81700000110.8V560 L561 F567 S568 S618V560-V564 HydrophobicContact CG1-CG2 4.14Å; V560-V564 WeakPolarHBondContact O-CB 3.36Å; V560-V564 VanDerWaalsContact O-CG2 3.22Å; V560-V564 WeakPolarHBondContact O-CG2 3.3Å; V560-V564 PolarHBondContact O-N 3.2Å; L561-V564 PolarHBondContact O-N 3.23Å; V564-F567 PolarHBondContact O-N 2.85Å; V564-S568 WeakPolarHBondContact O-CB 3.32Å; V564-S568 PolarHBondContact O-N 2.93Å; V564-S568 PolarHBondContact O-OG 2.82Å; V564-S618 VanDerWaalsContact CG1-CB 3.47Å
565S80.3Confident79.1Confident0 Ų068.8 Ų68.80%035%0.345CS..Hα-helixtrans-66.9-39.4177-68.40000113.2L561 L563 E571 N590 F592L561-S565 VanDerWaalsContact O-CB 3.24Å; L561-S565 WeakPolarHBondContact O-CB 3.34Å; L561-S565 PolarHBondContact O-N 3.49Å; L561-S565 PolarHBondContact O-OG 2.96Å; L563-S565 PolarHBondContact O-N 2.82Å; S565-E571 WeakPolarHBondContact CA-OE2 3.47Å; S565-E571 WeakPolarHBondContact CB-OE2 3.34Å; S565-E571 PolarHBondContact OG-OE2 2.92Å; S565-N590 PolarHBondContact O-ND2 2.81Å; S565-F592 WeakPolarHBondContact OG-CB 3.38Å
566R79.9Confident76.8Confident136 Ų13673.6 Ų73.651%0.51337%0.366SS..Hα-helixtrans-69.8-36.5177.9-167.569.2-178.683.3-12.9112.4F562 L563 W572F562-R566 WeakPolarHBondContact O-CB 3.48Å; F562-R566 PolarHBondContact O-N 3.42Å; L563-R566 PolarHBondContact O-N 2.84Å; L563-R566 VanDerWaalsContact O-N 3.15Å; R566-W572 PolarHBondContact O-NE1 3.14Å
567F78.6Confident74.7Confident162 Ų16280.1 Ų80.171%0.71139%0.385SS*.Hα-helixtrans-90-26.9-174.9-74.2-64.9000114.6L563 V564 P569L563-F567 HydrophobicContact CB-CD2 4.36Å; L563-F567 HydrophobicContact CB-CE2 4.47Å; L563-F567 HydrophobicContact CD2-CE2 4.12Å; L563-F567 WeakPolarHBondContact O-CD2 3.27Å; L563-F567 PolarHBondContact O-N 2.92Å; V564-F567 PolarHBondContact O-N 2.85Å; F567-P569 VanDerWaalsContact O-CD 3.26Å; F567-P569 WeakPolarHBondContact O-CD 3.41Å
568S75.6Confident72.6Confident17 Ų1788.1 Ų88.112%0.11942%0.42CS..  trans-79.9114.1-177.7-61.50000110.5V564 Y570 E571V564-S568 WeakPolarHBondContact O-CB 3.32Å; V564-S568 PolarHBondContact O-N 2.93Å; V564-S568 PolarHBondContact O-OG 2.82Å; S568-Y570 PolarHBondContact O-N 2.88Å; S568-Y570 VanDerWaalsContact O-N 3.12Å; S568-E571 PolarHBondContact O-N 2.97Å
569P68Low70.4Confident96 Ų9694.8 Ų94.862%0.62346%0.456SS*.G310 helixtrans-61.9-26.4-176.8-2133000113.1F567 E571 W572F567-P569 VanDerWaalsContact O-CD 3.26Å; F567-P569 WeakPolarHBondContact O-CD 3.41Å; P569-E571 PolarHBondContact O-N 2.92Å; P569-W572 PolarHBondContact O-N 2.89Å
570Y69Low68.1Low191 Ų19195.5 Ų95.575%0.74948%0.478SS*.G310 helixtrans-70.8-10.8-178-52.3-70.1000114.9S568S568-Y570 PolarHBondContact O-N 2.88Å; S568-Y570 VanDerWaalsContact O-N 3.12Å
571E68.1Low65.8Low13 Ų13103.1 Ų103.16%0.06150%0.5CS..G310 helixtrans-91.5-15.8174.7-90.2-179-152.200113.8S565 S568 P569 H573 R615 S616S565-E571 WeakPolarHBondContact CA-OE2 3.47Å; S565-E571 WeakPolarHBondContact CB-OE2 3.34Å; S565-E571 PolarHBondContact OG-OE2 2.92Å; S568-E571 PolarHBondContact O-N 2.97Å; P569-E571 PolarHBondContact O-N 2.92Å; E571-H573 PolarHBondContact O-N 2.8Å; E571-R615 HydrophobicContact CG-CB 4.17Å; E571-S616 VanDerWaalsContact OE1-CB 3.24Å; E571-S616 WeakPolarHBondContact OE1-CB 3.32Å; E571-S616 PolarHBondContact OE1-N 3.06Å; E571-S616 PolarHBondContact OE1-OG 3.32Å
572W69.1Low63.3Low73 Ų73112.9 Ų112.928%0.27755%0.545SS..  trans-77.1119.6173.8-64.975.8000108.1R566 P569 S588 N590R566-W572 PolarHBondContact O-NE1 3.14Å; P569-W572 PolarHBondContact O-N 2.89Å; W572-S588 VanDerWaalsContact CE3-O 3.31Å; W572-S588 VanDerWaalsContact CE3-OG 3.24Å; W572-S588 VanDerWaalsContact CZ3-O 3.23Å; W572-S588 WeakPolarHBondContact CZ3-O 3.44Å; W572-N590 HydrophobicContact CD2-CB 4.34Å; W572-N590 HydrophobicContact CE3-CB 4.34Å; W572-N590 HydrophobicContact CH2-CB 4.24Å; W572-N590 HydrophobicContact CZ2-CB 4.16Å; W572-N590 HydrophobicContact CZ3-CB 4.34Å
573H64.5Low61.1Low107 Ų107116.3 Ų116.350%0.49557%0.571SS.*BIsolated β-bridgetrans-122.9149.9174.4-140.562.3000110.6E571 T589 R615E571-H573 PolarHBondContact O-N 2.8Å; H573-T589 PolarHBondContact N-O 2.94Å; H573-T589 PolarHBondContact O-N 3.02Å; H573-R615 PolarHBondContact CD2-NH1 3.45Å; H573-R615 VanDerWaalsContact CG-NH1 3.34Å
574T55.8Low58.5Low82 Ų82122.2 Ų122.250%0.50360%0.597SS.*  trans-95.1115.4171.7-41.10000105.6E576T574-E576 PolarHBondContact O-N 3.02Å
575E53.7Low56.2Low111 Ų111125.4 Ų125.452%0.51962%0.62SS.*  trans-68.2110.6169.4-74.5-174.4154.500108.1F577E575-F577 PolarHBondContact O-N 3.46Å
576E45.1Very low54.3Low184 Ų184130.7 Ų130.786%0.8666%0.657SS**  trans-78.2105.5164.2-71.7-175.9170.600107.4T574 E578T574-E576 PolarHBondContact O-N 3.02Å; E576-E578 PolarHBondContact O-N 3.05Å
577F48.2Very low52.8Low171 Ų171131.5 Ų131.575%0.7567%0.667SS**  trans-65.6118.5171.4-78.6-89000109.5E575 D579E575-F577 PolarHBondContact O-N 3.46Å; F577-D579 PolarHBondContact O-N 3.17Å
578E47.5Very low51.7Low198 Ų198126.6 Ų126.693%0.92565%0.653SS**SBendtrans-66.773.1160.6-85.9-167.6143.500109.2E576E576-E578 PolarHBondContact O-N 3.05Å
579D45.6Very low51Low146 Ų146128.5 Ų128.578%0.78166%0.663SS**SBendtrans-169114.4154.6-103.9-25.5000108.5F577 R581F577-D579 PolarHBondContact O-N 3.17Å; D579-R581 VanDerWaalsContact C-N 3.27Å; D579-R581 PolarHBondContact O-N 3.05Å
580G42.5Very low51.2Low89 Ų89125.6 Ų125.692%0.91864%0.643SS**  trans-66.665-166.500000116.2
581R41.3Very low51.4Low225 Ų225120.4 Ų120.485%0.84963%0.625SS**  trans-121.198.9167.1-72.9-174.1179.2174.12.4110.2D579 T583D579-R581 VanDerWaalsContact C-N 3.27Å; D579-R581 PolarHBondContact O-N 3.05Å; R581-T583 PolarHBondContact O-N 3.29Å
582E35Very low51.7Low205 Ų205120.2 Ų120.296%0.95862%0.624SS**  trans-52.6101.3165.3-69.7179.7156.300109.9
583T41.7Very low52.3Low129 Ų129118.1 Ų118.179%0.79163%0.625SS**  trans-143.2124.1158.5-26.50000108.9R581 S585R581-T583 PolarHBondContact O-N 3.29Å; T583-S585 PolarHBondContact O-N 3.36Å
584Q32.9Very low53.2Low201 Ų201118.1 Ų118.194%0.93963%0.628SS**  trans-65.9111.7-167.8-66.5159.9-900112.9
585S38.6Very low54.6Low97 Ų97122.3 Ų122.368%0.67864%0.639SS**  trans-164.490.4144.453.80000108.5T583 E587T583-S585 PolarHBondContact O-N 3.36Å; S585-E587 PolarHBondContact O-N 2.85Å
586S38.9Very low56.1Low112 Ų112120.5 Ų120.578%0.78363%0.633SS**  trans-70.169.9168.556.70000109.2S588S586-S588 PolarHBondContact O-N 2.82Å
587E49.4Very low58Low153 Ų153111.8 Ų111.872%0.71559%0.593SS**  trans-80101.1172.1-132.8170.3-17100106.2S585 T589S585-E587 PolarHBondContact O-N 2.85Å; E587-T589 PolarHBondContact O-N 2.84Å
588S54.4Low60Low59 Ų59106.8 Ų106.841%0.41357%0.574SS.*  trans-61.5111171.655.20000107.5W572 S586W572-S588 VanDerWaalsContact CE3-O 3.31Å; W572-S588 VanDerWaalsContact CE3-OG 3.24Å; W572-S588 VanDerWaalsContact CZ3-O 3.23Å; W572-S588 WeakPolarHBondContact CZ3-O 3.44Å; S586-S588 PolarHBondContact O-N 2.82Å
589T62.8Low61.9Low56 Ų56105 Ų10534%0.34456%0.558SS.*BIsolated β-bridgetrans-91139.1-177.5530000109.2H573 E587H573-T589 PolarHBondContact N-O 2.94Å; H573-T589 PolarHBondContact O-N 3.02Å; E587-T589 PolarHBondContact O-N 2.84Å
590N71.5Confident63.9Low36 Ų3698.6 Ų98.619%0.19352%0.523CS..  trans-117.6116.5167.8-172.4-22.8000106.9S565 W572 F592S565-N590 PolarHBondContact O-ND2 2.81Å; W572-N590 HydrophobicContact CD2-CB 4.34Å; W572-N590 HydrophobicContact CE3-CB 4.34Å; W572-N590 HydrophobicContact CH2-CB 4.24Å; W572-N590 HydrophobicContact CZ2-CB 4.16Å; W572-N590 HydrophobicContact CZ3-CB 4.34Å; N590-F592 PolarHBondContact O-N 3.45Å; N590-F592 PolarHBondContact OD1-N 3.05Å
591E73.8Confident66.1Low81 Ų8194.3 Ų94.338%0.37948%0.48SS..SBendtrans-68.7-22.8-179.5-65.9173.917300111.9G593 N596 I612E591-G593 PolarHBondContact O-N 3.35Å; E591-G593 VanDerWaalsContact O-N 3.07Å; E591-N596 VanDerWaalsContact O-CB 3.24Å; E591-N596 WeakPolarHBondContact O-CB 3.43Å; E591-N596 PolarHBondContact O-ND2 2.98Å; E591-I612 HydrophobicContact CB-CG2 4.03Å; E591-I612 WeakPolarHBondContact OE2-CG2 3.3Å
592F74.2Confident68.3Low10 Ų1086.1 Ų86.14%0.04445%0.453CS..  trans-85.973.2-179.8-75.5-83.3000112.6S565 N590 F600 I612 P614S565-F592 WeakPolarHBondContact OG-CB 3.38Å; N590-F592 PolarHBondContact O-N 3.45Å; N590-F592 PolarHBondContact OD1-N 3.05Å; F592-F600 HydrophobicContact CE1-CB 3.92Å; F592-F600 HydrophobicContact CE1-CD1 4.31Å; F592-F600 HydrophobicContact CE1-CD2 4.02Å; F592-F600 AromaticContact CE1-CG 3.81Å; F592-F600 HydrophobicContact CE1-CG 3.81Å; F592-F600 HydrophobicContact CZ-CD2 4.19Å; F592-F600 HydrophobicContact CZ-CG 4.42Å; F592-I612 HydrophobicContact CD1-CD1 4.4Å; F592-I612 HydrophobicContact CE1-CD1 4.05Å; F592-I612 HydrophobicContact CZ-CB 4.31Å; F592-I612 HydrophobicContact CZ-CD1 4.35Å; F592-I612 HydrophobicContact CZ-CG1 4.46Å; F592-P614 HydrophobicContact CE2-CB 4.37Å; F592-P614 HydrophobicContact CZ-CB 4.3Å
593G80.5Confident70.9Confident29 Ų2976.8 Ų76.830%0.29941%0.411SS..  trans-68.8173.7161.400000113E591 F595 N596 S597E591-G593 PolarHBondContact O-N 3.35Å; E591-G593 VanDerWaalsContact O-N 3.07Å; G593-F595 VanDerWaalsContact C-N 3.34Å; G593-F595 PolarHBondContact O-N 3.29Å; G593-N596 PolarHBondContact O-N 3.1Å; G593-S597 WeakPolarHBondContact O-CB 3.43Å; G593-S597 PolarHBondContact O-N 3.34Å; G593-S597 PolarHBondContact O-OG 2.65Å
594I83Confident73Confident107 Ų10771.3 Ų71.355%0.54938%0.379SS..Hα-helixtrans-56.4-49.1176.9-62.8169.6000110.5F562 S597 L598F562-I594 HydrophobicContact CD1-CG1 4.3Å; F562-I594 HydrophobicContact CD2-CB 4.46Å; F562-I594 HydrophobicContact CD2-CG1 3.76Å; F562-I594 HydrophobicContact CE1-CG1 4.02Å; F562-I594 HydrophobicContact CE2-CB 4.49Å; F562-I594 HydrophobicContact CE2-CD1 4.42Å; F562-I594 HydrophobicContact CE2-CG1 3.44Å; F562-I594 VanDerWaalsContact CE2-CG1 3.44Å; F562-I594 HydrophobicContact CG-CG1 4.17Å; F562-I594 HydrophobicContact CZ-CD1 4.13Å; F562-I594 HydrophobicContact CZ-CG1 3.58Å; I594-S597 PolarHBondContact O-N 3.47Å; I594-L598 WeakPolarHBondContact O-CB 3.29Å; I594-L598 PolarHBondContact O-N 2.87Å
595F85Confident75.7Confident169 Ų16964.1 Ų64.174%0.74135%0.345SS*.Hα-helixtrans-68.6-38.8179.4-67.1-72.3000112.3G593 S597 L598 W599G593-F595 VanDerWaalsContact C-N 3.34Å; G593-F595 PolarHBondContact O-N 3.29Å; F595-S597 VanDerWaalsContact C-N 3.35Å; F595-L598 PolarHBondContact O-N 2.99Å; F595-W599 VanDerWaalsContact O-CB 3.26Å; F595-W599 WeakPolarHBondContact O-CB 3.5Å; F595-W599 PolarHBondContact O-N 2.95Å
596N85.9Confident77.9Confident74 Ų7464.5 Ų64.540%0.39634%0.337SS..Hα-helixtrans-69.5-34.4178.6-68.7-5.9000111.7E591 G593 W599 F600 I612E591-N596 VanDerWaalsContact O-CB 3.24Å; E591-N596 WeakPolarHBondContact O-CB 3.43Å; E591-N596 PolarHBondContact O-ND2 2.98Å; G593-N596 PolarHBondContact O-N 3.1Å; N596-W599 PolarHBondContact O-N 3.1Å; N596-F600 VanDerWaalsContact O-CB 3.28Å; N596-F600 WeakPolarHBondContact O-CB 3.37Å; N596-F600 PolarHBondContact O-N 3.28Å; N596-I612 HydrophobicContact CB-CD1 3.85Å
597S85.7Confident80Confident0 Ų065.7 Ų65.70%033%0.33CS..Hα-helixtrans-66.5-40.5172.9-56.40000111.5G593 I594 F595 S601G593-S597 WeakPolarHBondContact O-CB 3.43Å; G593-S597 PolarHBondContact O-N 3.34Å; G593-S597 PolarHBondContact O-OG 2.65Å; I594-S597 PolarHBondContact O-N 3.47Å; F595-S597 VanDerWaalsContact C-N 3.35Å; S597-S601 PolarHBondContact O-N 3.28Å; S597-S601 PolarHBondContact O-OG 3.1Å
598L89.4Confident81.5Confident67 Ų6764.2 Ų64.235%0.35132%0.323SS..Hα-helixtrans-67.9-37.1174.9-159.8114.4000111.8Y554 I594 F595 S601 L602Y554-L598 HydrophobicContact CE1-CD1 4.27Å; Y554-L598 HydrophobicContact CE1-CG 4.23Å; Y554-L598 WeakPolarHBondContact OH-CD2 3.38Å; Y554-L598 WeakPolarHBondContact OH-CG 3.42Å; Y554-L598 PolarHBondContact OH-O 3.19Å; I594-L598 WeakPolarHBondContact O-CB 3.29Å; I594-L598 PolarHBondContact O-N 2.87Å; F595-L598 PolarHBondContact O-N 2.99Å; L598-S601 PolarHBondContact O-OG 3.47Å; L598-L602 VanDerWaalsContact O-CB 3.31Å; L598-L602 WeakPolarHBondContact O-CB 3.29Å; L598-L602 PolarHBondContact O-N 3.25Å; L598-L602 VanDerWaalsContact O-N 3.08Å
599W88.1Confident82.5Confident160 Ų16065.2 Ų65.261%0.60634%0.343SS*.Hα-helixtrans-69.8-41.3176-172.1-111.5000111.9F595 N596 L602 G603F595-W599 VanDerWaalsContact O-CB 3.26Å; F595-W599 WeakPolarHBondContact O-CB 3.5Å; F595-W599 PolarHBondContact O-N 2.95Å; N596-W599 PolarHBondContact O-N 3.1Å; W599-L602 HydrophobicContact CE3-CD2 4.3Å; W599-L602 HydrophobicContact CZ3-CD2 4.09Å; W599-L602 PolarHBondContact O-N 3.15Å; W599-G603 PolarHBondContact O-N 2.83Å
600F87.3Confident83.1Confident11 Ų1164.3 Ų64.35%0.04834%0.338CS..Hα-helixtrans-61.8-47.8175.6176-91.9000111.5L561 F592 N596 L602 G603 A604 C610 I612 P614L561-F600 HydrophobicContact CD1-CD1 3.56Å; L561-F600 HydrophobicContact CD1-CE1 3.86Å; F592-F600 HydrophobicContact CE1-CB 3.92Å; F592-F600 HydrophobicContact CE1-CD1 4.31Å; F592-F600 HydrophobicContact CE1-CD2 4.02Å; F592-F600 AromaticContact CE1-CG 3.81Å; F592-F600 HydrophobicContact CE1-CG 3.81Å; F592-F600 HydrophobicContact CZ-CD2 4.19Å; F592-F600 HydrophobicContact CZ-CG 4.42Å; N596-F600 VanDerWaalsContact O-CB 3.28Å; N596-F600 WeakPolarHBondContact O-CB 3.37Å; N596-F600 PolarHBondContact O-N 3.28Å; F600-L602 VanDerWaalsContact C-N 3.3Å; F600-L602 PolarHBondContact O-N 3.31Å; F600-G603 PolarHBondContact O-N 3.27Å; F600-A604 VanDerWaalsContact O-CB 3.26Å; F600-A604 WeakPolarHBondContact O-CB 3.49Å; F600-A604 PolarHBondContact O-N 3.32Å; F600-C610 HydrophobicContact CD2-CB 3.97Å; F600-I612 HydrophobicContact CB-CD1 4.36Å; F600-I612 HydrophobicContact CD2-CG1 4.46Å; F600-I612 VanDerWaalsContact CD2-O 3.31Å; F600-I612 WeakPolarHBondContact CD2-O 3.43Å; F600-I612 WeakPolarHBondContact CE2-O 3.49Å; F600-P614 HydrophobicContact CZ-CG 4.14Å
601S87.8Confident83.3Confident0 Ų070.9 Ų70.90%037%0.374CS..Hα-helixtrans-64.6-34.9178.361.20000111.9Y554 S558 S597 L598 F605 W626Y554-S601 WeakPolarHBondContact CE2-OG 3.5Å; S558-S601 WeakPolarHBondContact OG-CB 3.39Å; S558-S601 PolarHBondContact OG-OG 3.48Å; S597-S601 PolarHBondContact O-N 3.28Å; S597-S601 PolarHBondContact O-OG 3.1Å; L598-S601 PolarHBondContact O-OG 3.47Å; S601-F605 WeakPolarHBondContact O-CB 3.41Å; S601-F605 PolarHBondContact O-N 3.3Å; S601-W626 PolarHBondContact O-NE1 3.37Å
602L89.4Confident83.5Confident53 Ų5368.3 Ų68.328%0.27736%0.362SS..Hα-helixtrans-71.7-44.4175.9-171.7128000112.6Y554 L598 W599 F600 F605 M606Y554-L602 HydrophobicContact CE2-CB 3.85Å; Y554-L602 HydrophobicContact CE2-CD1 4.37Å; Y554-L602 WeakPolarHBondContact OH-CD1 3.27Å; L598-L602 VanDerWaalsContact O-CB 3.31Å; L598-L602 WeakPolarHBondContact O-CB 3.29Å; L598-L602 PolarHBondContact O-N 3.25Å; L598-L602 VanDerWaalsContact O-N 3.08Å; W599-L602 HydrophobicContact CE3-CD2 4.3Å; W599-L602 HydrophobicContact CZ3-CD2 4.09Å; W599-L602 PolarHBondContact O-N 3.15Å; F600-L602 VanDerWaalsContact C-N 3.3Å; F600-L602 PolarHBondContact O-N 3.31Å; L602-F605 WeakPolarHBondContact O-CA 3.21Å; L602-F605 WeakPolarHBondContact O-CB 2.87Å; L602-F605 PolarHBondContact O-N 3.29Å; L602-F605 VanDerWaalsContact O-N 3.11Å; L602-M606 HydrophobicContact CD2-SD 3.81Å; L602-M606 HydrophobicContact CG-SD 4.42Å; L602-M606 PolarHBondContact O-N 3.25Å
603G88.3Confident83.8Confident9 Ų971.4 Ų71.49%0.09339%0.385CS..Hα-helixtrans-59.9-47.4175.300000111.3W599 F600 F605 M606 Q607 Q608W599-G603 PolarHBondContact O-N 2.83Å; F600-G603 PolarHBondContact O-N 3.27Å; G603-F605 PolarHBondContact O-N 3.25Å; G603-M606 PolarHBondContact O-N 3.12Å; G603-M606 VanDerWaalsContact O-N 3.09Å; G603-Q607 PolarHBondContact O-N 3.02Å; G603-Q608 CarbonylContact C-O 3.03Å; G603-Q608 WeakPolarHBondContact CA-O 3.37Å; G603-Q608 PolarHBondContact O-N 3.25Å
604A86.4Confident83.9Confident13 Ų1370.5 Ų70.511%0.10737%0.374CS..Hα-helixtrans-56.3-39.2172.900000112.3F600F600-A604 VanDerWaalsContact O-CB 3.26Å; F600-A604 WeakPolarHBondContact O-CB 3.49Å; F600-A604 PolarHBondContact O-N 3.32Å
605F89Confident83.7Confident51 Ų5171 Ų7122%0.22437%0.369CS..Hα-helixtrans-67-41.9175.7-172.9-96000112.5I550 S601 L602 G603 Q607 W626 T630 I634I550-F605 HydrophobicContact CG2-CE2 3.83Å; I550-F605 HydrophobicContact CG2-CZ 3.95Å; S601-F605 WeakPolarHBondContact O-CB 3.41Å; S601-F605 PolarHBondContact O-N 3.3Å; L602-F605 WeakPolarHBondContact O-CA 3.21Å; L602-F605 WeakPolarHBondContact O-CB 2.87Å; L602-F605 PolarHBondContact O-N 3.29Å; L602-F605 VanDerWaalsContact O-N 3.11Å; G603-F605 PolarHBondContact O-N 3.25Å; F605-Q607 PolarHBondContact O-N 3.15Å; F605-W626 HydrophobicContact CB-CZ2 4.17Å; F605-W626 HydrophobicContact CD2-CH2 4.37Å; F605-W626 AromaticContact CD2-CZ2 3.96Å; F605-W626 HydrophobicContact CD2-CZ2 3.96Å; F605-W626 HydrophobicContact CG-CZ2 4.48Å; F605-T630 HydrophobicContact CD2-CG2 4.12Å; F605-T630 HydrophobicContact CG-CG2 4.49Å; F605-T630 VanDerWaalsContact O-CG2 3.29Å; F605-T630 WeakPolarHBondContact O-CG2 3.27Å; F605-I634 WeakPolarHBondContact O-CD1 3.27Å
606M85.5Confident83.6Confident105 Ų10563.1 Ų63.152%0.51733%0.334SS..THydrogen-bonded Turntrans-79.67-178.2-68.3-173.36600114.4L602 G603 Q608L602-M606 HydrophobicContact CD2-SD 3.81Å; L602-M606 HydrophobicContact CG-SD 4.42Å; L602-M606 PolarHBondContact O-N 3.25Å; G603-M606 PolarHBondContact O-N 3.12Å; G603-M606 VanDerWaalsContact O-N 3.09Å; M606-Q608 HydrophobicContact CB-CG 4.43Å; M606-Q608 PolarHBondContact O-N 2.92Å
607Q83.1Confident83.6Confident136 Ų13665.9 Ų65.964%0.63635%0.348SS*.THydrogen-bonded Turntrans58.424-173.2-54.7178.3-6.500113.1G603 F605 I634G603-Q607 PolarHBondContact O-N 3.02Å; F605-Q607 PolarHBondContact O-N 3.15Å; Q607-I634 HydrophobicContact CG-CD1 3.93Å
608Q80.4Confident83.8Confident123 Ų12368.9 Ų68.958%0.57537%0.37SS*.  trans-106.2119.8175.3-66.7-177.80.300107.7G603 M606G603-Q608 CarbonylContact C-O 3.03Å; G603-Q608 WeakPolarHBondContact CA-O 3.37Å; G603-Q608 PolarHBondContact O-N 3.25Å; M606-Q608 HydrophobicContact CB-CG 4.43Å; M606-Q608 PolarHBondContact O-N 2.92Å
609G74.6Confident83.6Confident80 Ų8065.7 Ų65.783%0.82535%0.353SS*.  trans-55.3147.4175.600000110.9
610C76Confident83.6Confident36 Ų3665.2 Ų65.224%0.24335%0.351CS..  trans-104.2146.5170.8-158.10000108.4F600 I612F600-C610 HydrophobicContact CD2-CB 3.97Å; C610-I612 HydrophobicContact CB-CG1 4.27Å; C610-I612 PolarHBondContact O-N 3.2Å; C610-I612 WeakPolarHBondContact SG-CG1 3.35Å
611D76Confident83.8Confident175 Ų17569.5 Ų69.594%0.93637%0.373SS*.SBendtrans-64.4-26.8178-62.3-30.4000111.7
612I77.9Confident84Confident27 Ų2771 Ų7114%0.13838%0.382CS..  trans-92.6135.317850.7169.4000111.2E591 F592 N596 F600 C610E591-I612 HydrophobicContact CB-CG2 4.03Å; E591-I612 WeakPolarHBondContact OE2-CG2 3.3Å; F592-I612 HydrophobicContact CD1-CD1 4.4Å; F592-I612 HydrophobicContact CE1-CD1 4.05Å; F592-I612 HydrophobicContact CZ-CB 4.31Å; F592-I612 HydrophobicContact CZ-CD1 4.35Å; F592-I612 HydrophobicContact CZ-CG1 4.46Å; N596-I612 HydrophobicContact CB-CD1 3.85Å; F600-I612 HydrophobicContact CB-CD1 4.36Å; F600-I612 HydrophobicContact CD2-CG1 4.46Å; F600-I612 VanDerWaalsContact CD2-O 3.31Å; F600-I612 WeakPolarHBondContact CD2-O 3.43Å; F600-I612 WeakPolarHBondContact CE2-O 3.49Å; C610-I612 HydrophobicContact CB-CG1 4.27Å; C610-I612 PolarHBondContact O-N 3.2Å; C610-I612 WeakPolarHBondContact SG-CG1 3.35Å
613S81.1Confident83.9Confident74 Ų7468.6 Ų68.652%0.51737%0.37SS..  trans-131.7138.7177.1640000111.3R615S613-R615 PolarHBondContact O-N 3.38Å
614P82.1Confident83.9Confident10 Ų1069.8 Ų69.87%0.06538%0.382CS..  trans-64.9125.3-179.624.6-32.1000110.4F592 F600 R620F592-P614 HydrophobicContact CE2-CB 4.37Å; F592-P614 HydrophobicContact CZ-CB 4.3Å; F600-P614 HydrophobicContact CZ-CG 4.14Å; P614-R620 HydrophobicContact CB-CG 4.49Å; P614-R620 HydrophobicContact CG-CG 4.24Å; P614-R620 WeakPolarHBondContact O-CG 3.18Å; P614-R620 PolarHBondContact O-NE 3.49Å
615R78.2Confident84.2Confident119 Ų11973.8 Ų73.845%0.44941%0.405SS..  trans-84.8-31.3178.1-63.8-174.1-176.8-169.33.6112.1E571 H573 S613E571-R615 HydrophobicContact CG-CB 4.17Å; H573-R615 PolarHBondContact CD2-NH1 3.45Å; H573-R615 VanDerWaalsContact CG-NH1 3.34Å; S613-R615 PolarHBondContact O-N 3.38Å
616S84.4Confident84.4Confident2 Ų271.6 Ų71.61%0.01440%0.396CS..SBendtrans-70.4146.1-179.9710000111.8E571 S618 G619 R620E571-S616 VanDerWaalsContact OE1-CB 3.24Å; E571-S616 WeakPolarHBondContact OE1-CB 3.32Å; E571-S616 PolarHBondContact OE1-N 3.06Å; E571-S616 PolarHBondContact OE1-OG 3.32Å; S616-S618 VanDerWaalsContact C-N 3.28Å; S616-S618 PolarHBondContact O-N 2.83Å; S616-G619 PolarHBondContact O-N 3.48Å; S616-G619 WeakPolarHBondContact OG-CA 3.3Å; S616-G619 PolarHBondContact OG-N 3.34Å; S616-R620 VanDerWaalsContact O-CG 3.32Å; S616-R620 WeakPolarHBondContact O-CG 3.41Å; S616-R620 PolarHBondContact O-N 3.43Å
617L85.9Confident84.7Confident132 Ų13274 Ų7469%0.69140%0.399SS*.Hα-helixtrans-58-43.8173.6-178.663.9000111.1G619 R620 I621L617-G619 PolarHBondContact O-N 2.93Å; L617-R620 PolarHBondContact O-N 3.17Å; L617-I621 HydrophobicContact CG-CD1 4.24Å; L617-I621 WeakPolarHBondContact O-CG1 3.38Å; L617-I621 PolarHBondContact O-N 3.24Å
618S87.9Confident85.1Confident64 Ų6474.2 Ų74.245%0.44840%0.398SS..Hα-helixtrans-59.6-46177.6-55.20000112V564 S616 I621 V622V564-S618 VanDerWaalsContact CG1-CB 3.47Å; S616-S618 VanDerWaalsContact C-N 3.28Å; S616-S618 PolarHBondContact O-N 2.83Å; S618-I621 PolarHBondContact O-N 3Å; S618-V622 WeakPolarHBondContact O-CG2 3.47Å; S618-V622 PolarHBondContact O-N 3.41Å; S618-V622 VanDerWaalsContact O-N 3.17Å
619G86.2Confident85.7Confident0 Ų071.6 Ų71.60%039%0.385CS..Hα-helixtrans-65.5-38.8177.500000112.4S616 L617 I621 V622 G623S616-G619 PolarHBondContact O-N 3.48Å; S616-G619 WeakPolarHBondContact OG-CA 3.3Å; S616-G619 PolarHBondContact OG-N 3.34Å; L617-G619 PolarHBondContact O-N 2.93Å; G619-I621 PolarHBondContact O-N 3.11Å; G619-V622 PolarHBondContact O-N 3.46Å; G619-G623 PolarHBondContact O-N 3.48Å
620R88.6Confident86.5Confident150 Ų15068 Ų6857%0.56635%0.347SS*.Hα-helixtrans-64.2-37.1174.5-72.3177.6-178.5-172.91.4113P614 S616 L617 G624P614-R620 HydrophobicContact CB-CG 4.49Å; P614-R620 HydrophobicContact CG-CG 4.24Å; P614-R620 WeakPolarHBondContact O-CG 3.18Å; P614-R620 PolarHBondContact O-NE 3.49Å; S616-R620 VanDerWaalsContact O-CG 3.32Å; S616-R620 WeakPolarHBondContact O-CG 3.41Å; S616-R620 PolarHBondContact O-N 3.43Å; L617-R620 PolarHBondContact O-N 3.17Å; R620-G624 PolarHBondContact O-N 2.99Å
621I91.3Very high87.2Confident101 Ų10171 Ų7152%0.51836%0.36SS..Hα-helixtrans-64.8-46.6175.1-68.2167.9000110L617 S618 G619 G623 G624 V625L617-I621 HydrophobicContact CG-CD1 4.24Å; L617-I621 WeakPolarHBondContact O-CG1 3.38Å; L617-I621 PolarHBondContact O-N 3.24Å; S618-I621 PolarHBondContact O-N 3Å; G619-I621 PolarHBondContact O-N 3.11Å; I621-G623 PolarHBondContact O-N 3.28Å; I621-G624 PolarHBondContact O-N 2.88Å; I621-V625 HydrophobicContact CG2-CG2 4.47Å; I621-V625 WeakPolarHBondContact O-CG2 3.4Å; I621-V625 PolarHBondContact O-N 2.98Å
622V90.9Very high88.1Confident30 Ų3066.3 Ų66.318%0.18233%0.334CS..Hα-helixtrans-60.2-46.8177.3177.40000110.7V557 V560 L561 S618 G619 V625 W626V557-V622 HydrophobicContact CG1-CG1 4.16Å; V560-V622 HydrophobicContact CG1-CG1 4.13Å; V560-V622 HydrophobicContact CG1-CG2 3.85Å; L561-V622 HydrophobicContact CD2-CB 3.97Å; L561-V622 HydrophobicContact CD2-CG1 3.81Å; L561-V622 HydrophobicContact CG-CB 4.44Å; L561-V622 HydrophobicContact CG-CG1 3.72Å; S618-V622 WeakPolarHBondContact O-CG2 3.47Å; S618-V622 PolarHBondContact O-N 3.41Å; S618-V622 VanDerWaalsContact O-N 3.17Å; G619-V622 PolarHBondContact O-N 3.46Å; V622-V625 PolarHBondContact O-N 2.99Å; V622-W626 WeakPolarHBondContact O-CB 3.21Å; V622-W626 PolarHBondContact O-N 3.48Å
623G87.3Confident88.8Confident3 Ų366.4 Ų66.43%0.03134%0.335CS..Hα-helixtrans-62.2-41.717600000113.3G619 I621 W626 W627G619-G623 PolarHBondContact O-N 3.48Å; I621-G623 PolarHBondContact O-N 3.28Å; G623-W626 PolarHBondContact O-N 2.91Å; G623-W627 PolarHBondContact O-N 2.83Å
624G89.5Confident89.3Confident34 Ų3464.8 Ų64.835%0.35132%0.32SS..Hα-helixtrans-66.3-40.7178.500000113.2R620 I621 W627 F628R620-G624 PolarHBondContact O-N 2.99Å; I621-G624 PolarHBondContact O-N 2.88Å; G624-W627 PolarHBondContact O-N 3.4Å; G624-F628 PolarHBondContact O-N 3.4Å
625V93.2Very high89.7Confident97 Ų9767.2 Ų67.259%0.58834%0.337SS*.Hα-helixtrans-66-40.7173.51740000110.7I621 V622 F628 F629I621-V625 HydrophobicContact CG2-CG2 4.47Å; I621-V625 WeakPolarHBondContact O-CG2 3.4Å; I621-V625 PolarHBondContact O-N 2.98Å; V622-V625 PolarHBondContact O-N 2.99Å; V625-F628 PolarHBondContact O-N 2.69Å; V625-F629 WeakPolarHBondContact O-CB 3.36Å; V625-F629 PolarHBondContact O-N 3.28Å
626W92.7Very high90.5Very high6 Ų664 Ų642%0.02333%0.333CS..Hα-helixtrans-62.8-42.8175.5-177-118.6000112.2A553 Y554 V557 S601 F605 V622 G623 F628 F629 T630A553-W626 HydrophobicContact CB-CZ3 4.12Å; Y554-W626 HydrophobicContact CD2-CZ2 4.35Å; V557-W626 HydrophobicContact CB-CD2 4.37Å; V557-W626 HydrophobicContact CB-CE3 4.17Å; V557-W626 HydrophobicContact CB-CZ3 4.5Å; V557-W626 HydrophobicContact CG1-CB 4.09Å; V557-W626 HydrophobicContact CG1-CD2 3.97Å; V557-W626 HydrophobicContact CG1-CE3 4.22Å; V557-W626 HydrophobicContact CG1-CG 3.92Å; V557-W626 HydrophobicContact CG2-CD2 4.24Å; V557-W626 HydrophobicContact CG2-CE3 3.63Å; V557-W626 HydrophobicContact CG2-CZ3 4.01Å; S601-W626 PolarHBondContact O-NE1 3.37Å; F605-W626 HydrophobicContact CB-CZ2 4.17Å; F605-W626 HydrophobicContact CD2-CH2 4.37Å; F605-W626 AromaticContact CD2-CZ2 3.96Å; F605-W626 HydrophobicContact CD2-CZ2 3.96Å; F605-W626 HydrophobicContact CG-CZ2 4.48Å; V622-W626 WeakPolarHBondContact O-CB 3.21Å; V622-W626 PolarHBondContact O-N 3.48Å; G623-W626 PolarHBondContact O-N 2.91Å; W626-F628 PolarHBondContact O-N 2.79Å; W626-F629 HydrophobicContact CE3-CB 4.48Å; W626-F629 AromaticContact CE3-CD1 3.61Å; W626-F629 HydrophobicContact CE3-CD1 3.61Å; W626-F629 HydrophobicContact CE3-CE1 4.26Å; W626-F629 HydrophobicContact CE3-CG 4.35Å; W626-F629 HydrophobicContact CH2-CD1 4.06Å; W626-F629 AromaticContact CH2-CE1 3.97Å; W626-F629 HydrophobicContact CH2-CE1 3.97Å; W626-F629 AromaticContact CZ3-CD1 3.35Å; W626-F629 HydrophobicContact CZ3-CD1 3.35Å; W626-F629 AromaticContact CZ3-CE1 3.52Å; W626-F629 HydrophobicContact CZ3-CE1 3.52Å; W626-F629 HydrophobicContact CZ3-CG 4.37Å; W626-F629 WeakPolarHBondContact O-CB 3.48Å; W626-F629 PolarHBondContact O-N 2.84Å; W626-T630 PolarHBondContact O-N 2.88Å; W626-T630 PolarHBondContact O-OG1 3.42Å
627W90.6Very high90.9Very high156 Ų15666.2 Ų66.259%0.59134%0.341SS*.Hα-helixtrans-60-44.3173.6-76.2-13.6000112.7G623 G624 F629 T630 L631G623-W627 PolarHBondContact O-N 2.83Å; G624-W627 PolarHBondContact O-N 3.4Å; W627-F629 VanDerWaalsContact C-N 3.34Å; W627-T630 PolarHBondContact O-N 3.16Å; W627-L631 VanDerWaalsContact O-CB 3.28Å; W627-L631 WeakPolarHBondContact O-CB 3.49Å; W627-L631 PolarHBondContact O-N 3.5Å
628F92.6Very high91.1Very high139 Ų13963.4 Ų63.461%0.6133%0.33SS*.Hα-helixtrans-61.9-44.5175.9-175.1-106.4000111.3G624 V625 W626 L631 I632G624-F628 PolarHBondContact O-N 3.4Å; V625-F628 PolarHBondContact O-N 2.69Å; W626-F628 PolarHBondContact O-N 2.79Å; F628-L631 PolarHBondContact O-N 2.76Å; F628-I632 HydrophobicContact CE1-CG1 4.23Å; F628-I632 HydrophobicContact CE2-CD1 4.37Å; F628-I632 HydrophobicContact CE2-CG1 4.34Å; F628-I632 HydrophobicContact CZ-CD1 4.25Å; F628-I632 HydrophobicContact CZ-CG1 4.1Å; F628-I632 WeakPolarHBondContact O-CG1 3.47Å; F628-I632 PolarHBondContact O-N 3.09Å
629F92.6Very high91.3Very high69 Ų6963.2 Ų63.230%0.30333%0.332SS..Hα-helixtrans-58.4-51.8176173.9-98.8000112.1I550 A553 V625 W626 W627 L631 I632 I633I550-F629 HydrophobicContact CG1-CZ 4.41Å; A553-F629 HydrophobicContact CB-CZ 4.45Å; V625-F629 WeakPolarHBondContact O-CB 3.36Å; V625-F629 PolarHBondContact O-N 3.28Å; W626-F629 HydrophobicContact CE3-CB 4.48Å; W626-F629 AromaticContact CE3-CD1 3.61Å; W626-F629 HydrophobicContact CE3-CD1 3.61Å; W626-F629 HydrophobicContact CE3-CE1 4.26Å; W626-F629 HydrophobicContact CE3-CG 4.35Å; W626-F629 HydrophobicContact CH2-CD1 4.06Å; W626-F629 AromaticContact CH2-CE1 3.97Å; W626-F629 HydrophobicContact CH2-CE1 3.97Å; W626-F629 AromaticContact CZ3-CD1 3.35Å; W626-F629 HydrophobicContact CZ3-CD1 3.35Å; W626-F629 AromaticContact CZ3-CE1 3.52Å; W626-F629 HydrophobicContact CZ3-CE1 3.52Å; W626-F629 HydrophobicContact CZ3-CG 4.37Å; W626-F629 WeakPolarHBondContact O-CB 3.48Å; W626-F629 PolarHBondContact O-N 2.84Å; W627-F629 VanDerWaalsContact C-N 3.34Å; F629-L631 PolarHBondContact O-N 2.9Å; F629-I632 PolarHBondContact O-N 2.61Å; F629-I633 HydrophobicContact CD1-CG1 4.4Å; F629-I633 HydrophobicContact CD2-CG1 4.29Å; F629-I633 HydrophobicContact CE1-CG1 4.01Å; F629-I633 HydrophobicContact CE2-CD1 4.17Å; F629-I633 HydrophobicContact CE2-CG1 3.9Å; F629-I633 HydrophobicContact CZ-CD1 4.17Å; F629-I633 HydrophobicContact CZ-CG1 3.75Å; F629-I633 WeakPolarHBondContact O-CG1 3.29Å; F629-I633 PolarHBondContact O-N 3.15Å
630T91.8Very high91.5Very high4 Ų467 Ų673%0.02535%0.352CS..Hα-helixtrans-60-44.1179-64.50000112.1F605 W626 W627 I632 I633 I634F605-T630 HydrophobicContact CD2-CG2 4.12Å; F605-T630 HydrophobicContact CG-CG2 4.49Å; F605-T630 VanDerWaalsContact O-CG2 3.29Å; F605-T630 WeakPolarHBondContact O-CG2 3.27Å; W626-T630 PolarHBondContact O-N 2.88Å; W626-T630 PolarHBondContact O-OG1 3.42Å; W627-T630 PolarHBondContact O-N 3.16Å; T630-I632 VanDerWaalsContact C-N 3.31Å; T630-I632 PolarHBondContact O-N 3.09Å; T630-I633 PolarHBondContact O-N 2.92Å; T630-I634 HydrophobicContact CG2-CD1 3.59Å; T630-I634 HydrophobicContact CG2-CG1 4.26Å; T630-I634 PolarHBondContact O-N 3Å
631L91.3Very high91.3Very high99 Ų9962.2 Ų62.252%0.51834%0.338SS..Hα-helixtrans-57.6-45.8179.8-176.6153.2000111W627 F628 F629 S635W627-L631 VanDerWaalsContact O-CB 3.28Å; W627-L631 WeakPolarHBondContact O-CB 3.49Å; W627-L631 PolarHBondContact O-N 3.5Å; F628-L631 PolarHBondContact O-N 2.76Å; F629-L631 PolarHBondContact O-N 2.9Å; L631-S635 WeakPolarHBondContact O-CB 3.28Å; L631-S635 PolarHBondContact O-N 2.76Å; L631-S635 PolarHBondContact O-OG 2.82Å
632I93.4Very high90.9Very high77 Ų7760.1 Ų60.140%0.39534%0.335SS..Hα-helixtrans-66.5-44.4178.7-63.6-61.9000111.4F628 F629 T630 S635 S636F628-I632 HydrophobicContact CE1-CG1 4.23Å; F628-I632 HydrophobicContact CE2-CD1 4.37Å; F628-I632 HydrophobicContact CE2-CG1 4.34Å; F628-I632 HydrophobicContact CZ-CD1 4.25Å; F628-I632 HydrophobicContact CZ-CG1 4.1Å; F628-I632 WeakPolarHBondContact O-CG1 3.47Å; F628-I632 PolarHBondContact O-N 3.09Å; F629-I632 PolarHBondContact O-N 2.61Å; T630-I632 VanDerWaalsContact C-N 3.31Å; T630-I632 PolarHBondContact O-N 3.09Å; I632-S635 PolarHBondContact O-N 2.84Å; I632-S636 VanDerWaalsContact O-CB 3.32Å; I632-S636 WeakPolarHBondContact O-CB 3.36Å; I632-S636 PolarHBondContact O-N 3.27Å; I632-S636 PolarHBondContact O-OG 3.48Å
633I92.5Very high90.5Very high29 Ų2961.1 Ų61.115%0.14935%0.347CS..Hα-helixtrans-63.5-48-178.6-69.9-66.3000111.5I550 F629 T630 S636 Y637I550-I633 HydrophobicContact CD1-CG2 3.82Å; F629-I633 HydrophobicContact CD1-CG1 4.4Å; F629-I633 HydrophobicContact CD2-CG1 4.29Å; F629-I633 HydrophobicContact CE1-CG1 4.01Å; F629-I633 HydrophobicContact CE2-CD1 4.17Å; F629-I633 HydrophobicContact CE2-CG1 3.9Å; F629-I633 HydrophobicContact CZ-CD1 4.17Å; F629-I633 HydrophobicContact CZ-CG1 3.75Å; F629-I633 WeakPolarHBondContact O-CG1 3.29Å; F629-I633 PolarHBondContact O-N 3.15Å; T630-I633 PolarHBondContact O-N 2.92Å; I633-S636 PolarHBondContact O-N 2.89Å; I633-Y637 WeakPolarHBondContact O-CB 3.46Å; I633-Y637 PolarHBondContact O-N 3.18Å
634I91.5Very high90.1Very high39 Ų3965.6 Ų65.620%0.237%0.366CS..Hα-helixtrans-69.4-38.5-178.9-64.8175.2000111.2F605 Q607 T630 S636 Y637 T638F605-I634 WeakPolarHBondContact O-CD1 3.27Å; Q607-I634 HydrophobicContact CG-CD1 3.93Å; T630-I634 HydrophobicContact CG2-CD1 3.59Å; T630-I634 HydrophobicContact CG2-CG1 4.26Å; T630-I634 PolarHBondContact O-N 3Å; I634-S636 VanDerWaalsContact C-N 3.3Å; I634-S636 PolarHBondContact O-N 2.91Å; I634-Y637 PolarHBondContact O-N 3.4Å; I634-T638 HydrophobicContact CG2-CG2 4.35Å; I634-T638 WeakPolarHBondContact O-CG2 3.24Å; I634-T638 PolarHBondContact O-N 3.23Å; I634-T638 PolarHBondContact O-OG1 3.45Å
635S92Very high89.3Confident61 Ų6167.5 Ų67.543%0.42737%0.367SS..Hα-helixtrans-62.8-38.8174.5-580000111.6L631 I632 T638 A639L631-S635 WeakPolarHBondContact O-CB 3.28Å; L631-S635 PolarHBondContact O-N 2.76Å; L631-S635 PolarHBondContact O-OG 2.82Å; I632-S635 PolarHBondContact O-N 2.84Å; S635-T638 WeakPolarHBondContact CA-OG1 3.28Å; S635-T638 PolarHBondContact O-OG1 3.05Å; S635-A639 WeakPolarHBondContact O-CB 3.46Å; S635-A639 PolarHBondContact O-N 2.81Å
636S93.4Very high88.4Confident52 Ų5268.1 Ų68.136%0.36437%0.371SS..Hα-helixtrans-69.4-41.3176.1-56.90000112I632 I633 I634 A639 N640I632-S636 VanDerWaalsContact O-CB 3.32Å; I632-S636 WeakPolarHBondContact O-CB 3.36Å; I632-S636 PolarHBondContact O-N 3.27Å; I632-S636 PolarHBondContact O-OG 3.48Å; I633-S636 PolarHBondContact O-N 2.89Å; I634-S636 VanDerWaalsContact C-N 3.3Å; I634-S636 PolarHBondContact O-N 2.91Å; S636-A639 PolarHBondContact O-N 3.07Å; S636-N640 WeakPolarHBondContact O-CB 3.48Å; S636-N640 PolarHBondContact O-N 3.4Å
637Y92.9Very high87.2Confident48 Ų4871.6 Ų71.619%0.18839%0.393CS..Hα-helixtrans-59.6-48174.8174.9-100.4000111.6F538 P541 L542 I633 I634 A639 N640 L641F538-Y637 WeakPolarHBondContact O-CE2 3.43Å; F538-Y637 PolarHBondContact O-OH 2.92Å; P541-Y637 HydrophobicContact CB-CD2 4.02Å; P541-Y637 HydrophobicContact CB-CE2 3.95Å; P541-Y637 HydrophobicContact CG-CE2 4.01Å; L542-Y637 HydrophobicContact CD1-CD2 3.84Å; L542-Y637 HydrophobicContact CD1-CG 4.38Å; L542-Y637 HydrophobicContact CG-CD2 3.96Å; I633-Y637 WeakPolarHBondContact O-CB 3.46Å; I633-Y637 PolarHBondContact O-N 3.18Å; I634-Y637 PolarHBondContact O-N 3.4Å; Y637-A639 PolarHBondContact O-N 3.03Å; Y637-N640 PolarHBondContact O-N 3.22Å; Y637-L641 HydrophobicContact CE1-CD2 4.09Å; Y637-L641 VanDerWaalsContact O-CB 3.29Å; Y637-L641 WeakPolarHBondContact O-CB 3.38Å; Y637-L641 PolarHBondContact O-N 3.19Å
638T91.2Very high86Confident74 Ų7468.7 Ų68.745%0.45439%0.386SS..Hα-helixtrans-64-39.6179.749.20000112.1I634 S635 A642I634-T638 HydrophobicContact CG2-CG2 4.35Å; I634-T638 WeakPolarHBondContact O-CG2 3.24Å; I634-T638 PolarHBondContact O-N 3.23Å; I634-T638 PolarHBondContact O-OG1 3.45Å; S635-T638 WeakPolarHBondContact CA-OG1 3.28Å; S635-T638 PolarHBondContact O-OG1 3.05Å; T638-A642 WeakPolarHBondContact O-CB 3.2Å; T638-A642 PolarHBondContact O-N 2.77Å; T638-A642 VanDerWaalsContact O-N 3.08Å
639A91.4Very high84.7Confident60 Ų6071.9 Ų71.950%0.49639%0.394SS..Hα-helixtrans-63.1-46.7174.100000112.6S635 S636 Y637 A642 A643S635-A639 WeakPolarHBondContact O-CB 3.46Å; S635-A639 PolarHBondContact O-N 2.81Å; S636-A639 PolarHBondContact O-N 3.07Å; Y637-A639 PolarHBondContact O-N 3.03Å; A639-A642 PolarHBondContact O-N 3.24Å; A639-A643 PolarHBondContact O-N 3.38Å; A639-A643 VanDerWaalsContact O-N 3.08Å
640N90.7Very high83.5Confident79 Ų7972.9 Ų72.942%0.42240%0.401SS..Hα-helixtrans-68.1-38.4179.4-75.6-6.9000112.4P541 S636 Y637 A642 A643 F644P541-N640 HydrophobicContact CB-CB 3.86Å; P541-N640 PolarHBondContact O-ND2 2.7Å; S636-N640 WeakPolarHBondContact O-CB 3.48Å; S636-N640 PolarHBondContact O-N 3.4Å; Y637-N640 PolarHBondContact O-N 3.22Å; N640-A642 VanDerWaalsContact C-N 3.33Å; N640-A643 PolarHBondContact O-N 3.17Å; N640-F644 WeakPolarHBondContact O-CB 3.35Å; N640-F644 PolarHBondContact O-N 3.28Å
641L84.7Confident82.7Confident50 Ų5078.3 Ų78.326%0.26243%0.434SS..Hα-helixtrans-61.6-43.7175.8-179.765.2000110.7P541 Y637 A643 F644 L645P541-L641 HydrophobicContact CB-CB 4.38Å; P541-L641 HydrophobicContact CG-CB 4.03Å; P541-L641 HydrophobicContact CG-CD1 3.79Å; Y637-L641 HydrophobicContact CE1-CD2 4.09Å; Y637-L641 VanDerWaalsContact O-CB 3.29Å; Y637-L641 WeakPolarHBondContact O-CB 3.38Å; Y637-L641 PolarHBondContact O-N 3.19Å; L641-A643 PolarHBondContact O-N 3.01Å; L641-F644 PolarHBondContact O-N 2.76Å; L641-L645 HydrophobicContact CD1-CD1 4.47Å; L641-L645 HydrophobicContact CG-CD1 4.29Å; L641-L645 VanDerWaalsContact O-CG 3.3Å; L641-L645 WeakPolarHBondContact O-CG 3.45Å; L641-L645 PolarHBondContact O-N 3.4Å
642A82.6Confident82.1Confident56 Ų5675 Ų7546%0.46342%0.419SS..Hα-helixtrans-59.8-44.7174.700000111.6T638 A639 N640 L645 T646T638-A642 WeakPolarHBondContact O-CB 3.2Å; T638-A642 PolarHBondContact O-N 2.77Å; T638-A642 VanDerWaalsContact O-N 3.08Å; A639-A642 PolarHBondContact O-N 3.24Å; N640-A642 VanDerWaalsContact C-N 3.33Å; A642-L645 PolarHBondContact O-N 3.35Å; A642-T646 WeakPolarHBondContact O-CG2 3.36Å; A642-T646 PolarHBondContact O-N 3.01Å
643A82.1Confident81.4Confident51 Ų5175.7 Ų75.742%0.42143%0.428SS..Hα-helixtrans-62.6-44.1176.300000112.4A639 N640 L641 L645 T646 V647A639-A643 PolarHBondContact O-N 3.38Å; A639-A643 VanDerWaalsContact O-N 3.08Å; N640-A643 PolarHBondContact O-N 3.17Å; L641-A643 PolarHBondContact O-N 3.01Å; A643-L645 VanDerWaalsContact C-N 3.3Å; A643-L645 PolarHBondContact O-N 3.24Å; A643-T646 PolarHBondContact O-N 3.44Å; A643-T646 PolarHBondContact O-OG1 3.26Å; A643-V647 PolarHBondContact O-N 2.85Å; A643-V647 VanDerWaalsContact O-N 3.15Å
644F78.7Confident81Confident98 Ų9874.4 Ų74.443%0.4342%0.422SS..Hα-helixtrans-62.6-37.1-180-161.9-90.9000112.2D540 N640 L641 T646 V647D540-F644 HydrophobicContact CB-CE2 4.31Å; D540-F644 HydrophobicContact CB-CZ 4.22Å; N640-F644 WeakPolarHBondContact O-CB 3.35Å; N640-F644 PolarHBondContact O-N 3.28Å; L641-F644 PolarHBondContact O-N 2.76Å; F644-T646 VanDerWaalsContact C-N 3.27Å; F644-T646 PolarHBondContact O-N 2.91Å; F644-V647 PolarHBondContact O-N 3.25Å
645L74.3Confident80.7Confident74 Ų7479.5 Ų79.539%0.38745%0.445SS..Hα-helixtrans-70.5-21.2175.8-69.3173.6000113.4L641 A642 A643 L808L641-L645 HydrophobicContact CD1-CD1 4.47Å; L641-L645 HydrophobicContact CG-CD1 4.29Å; L641-L645 VanDerWaalsContact O-CG 3.3Å; L641-L645 WeakPolarHBondContact O-CG 3.45Å; L641-L645 PolarHBondContact O-N 3.4Å; A642-L645 PolarHBondContact O-N 3.35Å; A643-L645 VanDerWaalsContact C-N 3.3Å; A643-L645 PolarHBondContact O-N 3.24Å; L645-L808 HydrophobicContact CD1-CD1 4.32Å; L645-L808 HydrophobicContact CD2-CD1 3.48Å; L645-L808 VanDerWaalsContact CD2-CD1 3.48Å
646T72.6Confident80.5Confident110 Ų11078.5 Ų78.568%0.67544%0.438SS*.Hα-helixtrans-87.8-27.6176.760.20000113.6A642 A643 F644A642-T646 WeakPolarHBondContact O-CG2 3.36Å; A642-T646 PolarHBondContact O-N 3.01Å; A643-T646 PolarHBondContact O-N 3.44Å; A643-T646 PolarHBondContact O-OG1 3.26Å; F644-T646 VanDerWaalsContact C-N 3.27Å; F644-T646 PolarHBondContact O-N 2.91Å
647V67.4Low80.1Confident79 Ų7976.3 Ų76.348%0.47942%0.423SS..  trans-120.693.7-172.2-170.20000111.5A643 F644 R649A643-V647 PolarHBondContact O-N 2.85Å; A643-V647 VanDerWaalsContact O-N 3.15Å; F644-V647 PolarHBondContact O-N 3.25Å; V647-R649 HydrophobicContact CG1-CG 3.69Å; V647-R649 PolarHBondContact O-N 3.45Å
648E66.4Low80Confident94 Ų9478.5 Ų78.544%0.43944%0.435SS..  trans-86.391.8167.1-66-176.717500109.8K530K530-E648 VanDerWaalsContact CD-OE2 3.26Å; K530-E648 WeakPolarHBondContact CD-OE2 3.03Å
649R65.6Low80Confident207 Ų20777.5 Ų77.578%0.78143%0.426SS*.  trans-72.8133.1176.2-63-169.5179.6177.40.4110.7V647V647-R649 HydrophobicContact CG1-CG 3.69Å; V647-R649 PolarHBondContact O-N 3.45Å
650M66.4Low79.9Confident89 Ų8974.6 Ų74.644%0.43840%0.403SS..  trans-81.2127.4169.8-60.9-179.6-163.700109P528 K530P528-M650 HydrophobicContact CG-CB 4.41Å; K530-M650 HydrophobicContact CG-CE 4.19Å
651V74.9Confident79.8Confident119 Ų11971.4 Ų71.472%0.72139%0.387SS*.  trans-104.2124.8173.3-174.10000108.6
652S78.6Confident80.1Confident29 Ų2975.5 Ų75.520%0.20340%0.402CS..  trans-86.2131.2172.4-179.40000109.6I525 I654I525-S652 WeakPolarHBondContact CD1-OG 3.46Å; S652-I654 PolarHBondContact O-N 3.41Å; S652-I654 PolarHBondContact OG-N 3.07Å; S652-I654 PolarHBondContact OG-O 3.43Å
653P79.5Confident80.4Confident91 Ų9175.3 Ų75.359%0.59139%0.392SS*.SBendtrans-71.9-15.517629.3-34.7000113.6I666P653-I666 HydrophobicContact CB-CD1 4.48Å; P653-I666 HydrophobicContact CG-CD1 4.34Å
654I84.6Confident80.7Confident3 Ų378.6 Ų78.62%0.01541%0.407CS..  trans-131126.9-177.7-63.1158.6000108.4I525 S652 S656 D659 L660 I666 V744I525-I654 HydrophobicContact CG2-CD1 4.16Å; S652-I654 PolarHBondContact O-N 3.41Å; S652-I654 PolarHBondContact OG-N 3.07Å; S652-I654 PolarHBondContact OG-O 3.43Å; I654-S656 WeakPolarHBondContact CG2-O 3.3Å; I654-D659 HydrophobicContact CG2-CB 4.37Å; I654-L660 HydrophobicContact CD1-CD2 3.46Å; I654-L660 VanDerWaalsContact CD1-CD2 3.46Å; I654-L660 HydrophobicContact CD1-CG 4.26Å; I654-L660 HydrophobicContact CG1-CD2 4.22Å; I654-L660 HydrophobicContact CG2-CD2 4.49Å; I654-L660 HydrophobicContact CG2-CG 4.13Å; I654-I666 HydrophobicContact CD1-CB 4.4Å; I654-I666 HydrophobicContact CD1-CD1 3.51Å; I654-I666 HydrophobicContact CD1-CG2 4Å; I654-I666 HydrophobicContact CG1-CD1 4.04Å; I654-V744 HydrophobicContact CG2-CG2 4.2Å
655E85.1Confident81.3Confident146 Ų14680.3 Ų80.368%0.68242%0.416SS*.SBendtrans-111.4-28.7173.3-63.4-170.7168.400111.7D659 G745E655-D659 PolarHBondContact N-OD2 2.94Å; E655-D659 VanDerWaalsContact N-OD2 3.11Å; E655-G745 WeakPolarHBondContact O-CA 3.37Å; E655-G745 PolarHBondContact O-N 2.94Å
656S87.5Confident82.1Confident40 Ų4077.4 Ų77.428%0.2840%0.401SS..SBendtrans-135.4164.6-175.374.60000113.2I654 E658 D659I654-S656 WeakPolarHBondContact CG2-O 3.3Å; S656-E658 PolarHBondContact O-N 3.27Å; S656-E658 PolarHBondContact OG-N 3.06Å; S656-D659 PolarHBondContact N-OD2 3.39Å; S656-D659 PolarHBondContact O-N 2.77Å; S656-D659 VanDerWaalsContact OG-CG 3.25Å; S656-D659 PolarHBondContact OG-N 3.32Å; S656-D659 PolarHBondContact OG-OD1 2.82Å; S656-D659 PolarHBondContact OG-OD2 3.5Å
657A85.6Confident83.2Confident6 Ų673.3 Ų73.35%0.0538%0.378CS..Hα-helixtrans-67.1-22.6170.200000112.9I523 D659 L660 S661 F688 M691 L748I523-A657 HydrophobicContact CD1-CB 4.06Å; A657-D659 VanDerWaalsContact C-N 3.3Å; A657-L660 WeakPolarHBondContact O-CB 3.42Å; A657-L660 PolarHBondContact O-N 2.86Å; A657-S661 PolarHBondContact O-N 3.28Å; A657-F688 HydrophobicContact CB-CE1 4.45Å; A657-M691 HydrophobicContact CB-CE 4.49Å; A657-M691 HydrophobicContact CB-SD 4.1Å; A657-L748 HydrophobicContact CB-CD1 3.98Å; A657-L748 HydrophobicContact CB-CD2 3.38Å; A657-L748 HydrophobicContact CB-CG 4.33Å
658E90.2Very high84.5Confident93 Ų9369.8 Ų69.844%0.43536%0.356SS..Hα-helixtrans-65.5-38.9176.8-165.3-176.7157.600110.5S656 L660 S661 K662 V687S656-E658 PolarHBondContact O-N 3.27Å; S656-E658 PolarHBondContact OG-N 3.06Å; E658-L660 VanDerWaalsContact C-N 3.32Å; E658-L660 PolarHBondContact O-N 3.44Å; E658-S661 WeakPolarHBondContact O-CB 3.25Å; E658-S661 PolarHBondContact O-N 2.67Å; E658-S661 PolarHBondContact O-OG 3.09Å; E658-K662 HydrophobicContact CG-CD 4.44Å; E658-K662 WeakPolarHBondContact O-CG 3.4Å; E658-K662 PolarHBondContact O-N 2.85Å; E658-K662 VanDerWaalsContact O-N 3.09Å; E658-K662 WeakPolarHBondContact OE1-CE 3.49Å; E658-K662 IonicContact OE1-NZ 2.87Å; E658-K662 PolarHBondContact OE1-NZ 3.19Å; E658-V687 HydrophobicContact CB-CG1 4.48Å; E658-V687 HydrophobicContact CG-CG2 4.49Å
659D90.6Very high85.8Confident53 Ų5365.3 Ų65.328%0.28334%0.335SS..Hα-helixtrans-59.3-45.2176.7-55.4-34.6000110.7I654 E655 S656 A657 S661 K662 Q663I654-D659 HydrophobicContact CG2-CB 4.37Å; E655-D659 PolarHBondContact N-OD2 2.94Å; E655-D659 VanDerWaalsContact N-OD2 3.11Å; S656-D659 PolarHBondContact N-OD2 3.39Å; S656-D659 PolarHBondContact O-N 2.77Å; S656-D659 VanDerWaalsContact OG-CG 3.25Å; S656-D659 PolarHBondContact OG-N 3.32Å; S656-D659 PolarHBondContact OG-OD1 2.82Å; S656-D659 PolarHBondContact OG-OD2 3.5Å; A657-D659 VanDerWaalsContact C-N 3.3Å; D659-S661 PolarHBondContact O-N 2.91Å; D659-K662 PolarHBondContact O-N 3.11Å; D659-K662 VanDerWaalsContact O-N 3.09Å; D659-Q663 WeakPolarHBondContact O-CG 3.28Å; D659-Q663 PolarHBondContact O-N 2.98Å
660L88.9Confident87.2Confident0 Ų055.5 Ų55.50%030%0.298CS..Hα-helixtrans-56.9-36.1174.9-75176.1000112.7I523 I654 A657 E658 Q663 I666 Y668 M691 A722 L724I523-L660 HydrophobicContact CD1-CD1 3.97Å; I523-L660 HydrophobicContact CG1-CD1 4.39Å; I523-L660 HydrophobicContact CG2-CD1 3.97Å; I654-L660 HydrophobicContact CD1-CD2 3.46Å; I654-L660 VanDerWaalsContact CD1-CD2 3.46Å; I654-L660 HydrophobicContact CD1-CG 4.26Å; I654-L660 HydrophobicContact CG1-CD2 4.22Å; I654-L660 HydrophobicContact CG2-CD2 4.49Å; I654-L660 HydrophobicContact CG2-CG 4.13Å; A657-L660 WeakPolarHBondContact O-CB 3.42Å; A657-L660 PolarHBondContact O-N 2.86Å; E658-L660 VanDerWaalsContact C-N 3.32Å; E658-L660 PolarHBondContact O-N 3.44Å; L660-Q663 PolarHBondContact O-NE2 3.31Å; L660-Q663 VanDerWaalsContact O-O 3.12Å; L660-I666 HydrophobicContact CD2-CG2 4.34Å; L660-Y668 HydrophobicContact CB-CD1 4.05Å; L660-Y668 HydrophobicContact CB-CE1 4.11Å; L660-Y668 HydrophobicContact CD1-CG 4.41Å; L660-Y668 HydrophobicContact CD2-CD1 3.99Å; L660-Y668 HydrophobicContact CD2-CG 4.49Å; L660-Y668 HydrophobicContact CG-CD1 4.44Å; L660-Y668 VanDerWaalsContact O-CE1 3.26Å; L660-Y668 WeakPolarHBondContact O-CE1 3.36Å; L660-M691 HydrophobicContact CB-CE 4.47Å; L660-M691 HydrophobicContact CD1-CE 4.31Å; L660-A722 HydrophobicContact CD1-CB 4.38Å; L660-A722 HydrophobicContact CD2-CB 4.02Å; L660-L724 HydrophobicContact CD1-CD2 4.38Å
661S89.6Confident88.3Confident12 Ų1252.5 Ų52.58%0.08428%0.284CS..Hα-helixtrans-79-19.6-179.882.30000113.9A657 E658 D659 K690A657-S661 PolarHBondContact O-N 3.28Å; E658-S661 WeakPolarHBondContact O-CB 3.25Å; E658-S661 PolarHBondContact O-N 2.67Å; E658-S661 PolarHBondContact O-OG 3.09Å; D659-S661 PolarHBondContact O-N 2.91Å; S661-K690 VanDerWaalsContact O-CE 3.22Å; S661-K690 WeakPolarHBondContact O-CE 3.27Å; S661-K690 PolarHBondContact O-NZ 2.96Å
662K90.8Very high88.8Confident135 Ų13550.1 Ų50.159%0.58727%0.267SS*.Hα-helixtrans-86.1-30.9-180-75.7174.8178.81640112.5E658 D659E658-K662 HydrophobicContact CG-CD 4.44Å; E658-K662 WeakPolarHBondContact O-CG 3.4Å; E658-K662 PolarHBondContact O-N 2.85Å; E658-K662 VanDerWaalsContact O-N 3.09Å; E658-K662 WeakPolarHBondContact OE1-CE 3.49Å; E658-K662 IonicContact OE1-NZ 2.87Å; E658-K662 PolarHBondContact OE1-NZ 3.19Å; D659-K662 PolarHBondContact O-N 3.11Å; D659-K662 VanDerWaalsContact O-N 3.09Å
663Q88.9Confident88.6Confident53 Ų5351.3 Ų51.325%0.24828%0.275CS..  trans-106163.9-177.266.879.343.600112.4D659 L660 I666D659-Q663 WeakPolarHBondContact O-CG 3.28Å; D659-Q663 PolarHBondContact O-N 2.98Å; L660-Q663 PolarHBondContact O-NE2 3.31Å; L660-Q663 VanDerWaalsContact O-O 3.12Å; Q663-I666 PolarHBondContact NE2-O 3.03Å
664T89.5Confident88.6Confident120 Ų12047.7 Ų47.774%0.73626%0.255SS*.SBendtrans-127.6-0.4178.954.60000113.9
665E89.8Confident88.7Confident133 Ų13348.5 Ų48.562%0.62126%0.261SS*.SBendtrans-77.4-35.7-176.4-170-179.6-169.300112.8K720E665-K720 HydrophobicContact CG-CD 4.21Å; E665-K720 IonicContact OE1-NZ 3.79Å; E665-K720 PolarHBondContact OE1-NZ 3.31Å; E665-K720 IonicContact OE2-NZ 2.85Å
666I91.7Very high89Confident14 Ų1442 Ų427%0.07223%0.231CC..SBendtrans-100.2106.9176.6-55.7175.9000107.2P653 I654 L660 Q663 K720 A722P653-I666 HydrophobicContact CB-CD1 4.48Å; P653-I666 HydrophobicContact CG-CD1 4.34Å; I654-I666 HydrophobicContact CD1-CB 4.4Å; I654-I666 HydrophobicContact CD1-CD1 3.51Å; I654-I666 HydrophobicContact CD1-CG2 4Å; I654-I666 HydrophobicContact CG1-CD1 4.04Å; L660-I666 HydrophobicContact CD2-CG2 4.34Å; Q663-I666 PolarHBondContact NE2-O 3.03Å; I666-K720 WeakPolarHBondContact CA-O 3.24Å; I666-A722 HydrophobicContact CG2-CB 4.17Å
667A94.6Very high89.1Confident24 Ų2442.5 Ų42.520%0.19823%0.228CC..EExtended strand (participates in β ladder)trans-68.7154.5173.800000110.6Y694 K720 Y721 A722A667-Y694 WeakPolarHBondContact CA-OH 3.28Å; A667-Y694 WeakPolarHBondContact CB-OH 3.43Å; A667-K720 PolarHBondContact N-O 2.84Å; A667-Y721 HydrophobicContact CB-CD2 4.04Å; A667-Y721 CarbonylContact O-C 3.56Å; A667-Y721 WeakPolarHBondContact O-CA 3.38Å; A667-A722 PolarHBondContact O-N 3.39Å
668Y95.1Very high89.2Confident5 Ų545.1 Ų45.12%0.0224%0.239CC..EExtended strand (participates in β ladder)trans-144.115017654.4-89.4000112.1L660 M691 Y694 M695 V702 A722 L724L660-Y668 HydrophobicContact CB-CD1 4.05Å; L660-Y668 HydrophobicContact CB-CE1 4.11Å; L660-Y668 HydrophobicContact CD1-CG 4.41Å; L660-Y668 HydrophobicContact CD2-CD1 3.99Å; L660-Y668 HydrophobicContact CD2-CG 4.49Å; L660-Y668 HydrophobicContact CG-CD1 4.44Å; L660-Y668 VanDerWaalsContact O-CE1 3.26Å; L660-Y668 WeakPolarHBondContact O-CE1 3.36Å; Y668-M691 HydrophobicContact CD2-CE 3.87Å; Y668-M691 HydrophobicContact CE2-CB 3.82Å; Y668-M691 HydrophobicContact CE2-CE 3.72Å; Y668-M691 HydrophobicContact CE2-CG 3.95Å; Y668-M691 WeakPolarHBondContact OH-CA 3.16Å; Y668-Y694 HydrophobicContact CD1-CD1 4.29Å; Y668-Y694 AromaticContact CD1-CE1 3.98Å; Y668-Y694 HydrophobicContact CD1-CE1 3.98Å; Y668-Y694 HydrophobicContact CD2-CD1 4.19Å; Y668-Y694 HydrophobicContact CD2-CE1 4.35Å; Y668-Y694 AromaticContact CE1-CD1 3.68Å; Y668-Y694 HydrophobicContact CE1-CD1 3.68Å; Y668-Y694 AromaticContact CE1-CE1 3.74Å; Y668-Y694 HydrophobicContact CE1-CE1 3.74Å; Y668-Y694 HydrophobicContact CE1-CG 4.33Å; Y668-Y694 AromaticContact CE2-CD1 3.56Å; Y668-Y694 HydrophobicContact CE2-CD1 3.56Å; Y668-Y694 HydrophobicContact CE2-CE1 4.12Å; Y668-Y694 HydrophobicContact CE2-CG 4.45Å; Y668-Y694 HydrophobicContact CG-CE1 4.28Å; Y668-Y694 AromaticContact CZ-CD1 3.27Å; Y668-Y694 AromaticContact CZ-CE1 3.82Å; Y668-Y694 AromaticContact CZ-CG 3.88Å; Y668-Y694 WeakPolarHBondContact OH-CB 3.4Å; Y668-Y694 WeakPolarHBondContact OH-CD1 3.37Å; Y668-M695 HydrophobicContact CD2-CG 4.11Å; Y668-M695 HydrophobicContact CD2-SD 4.44Å; Y668-M695 HydrophobicContact CE2-CG 4.01Å; Y668-V702 VanDerWaalsContact O-CB 3.27Å; Y668-V702 WeakPolarHBondContact O-CB 3.44Å; Y668-V702 WeakPolarHBondContact O-CG2 3.19Å; Y668-A722 WeakPolarHBondContact CA-O 3.31Å; Y668-L724 HydrophobicContact CD2-CD1 4.28Å
669G94.9Very high89.3Confident0 Ų043.2 Ų43.20%023%0.23CC..EExtended strand (participates in β ladder)trans-159.5178-178.800000114.2V702 A722 Y723 L724G669-V702 WeakPolarHBondContact CA-O 3.09Å; G669-A722 PolarHBondContact N-O 3.39Å; G669-Y723 WeakPolarHBondContact O-CD2 3.18Å; G669-L724 PolarHBondContact O-N 3.41Å
670T94.6Very high89.4Confident0 Ų040.7 Ų40.70%022%0.216CC..  trans-132.1176-173.756.30000110.9T676 F680 M695 F703 V704 L724T670-T676 HydrophobicContact CG2-CG2 3.57Å; T670-F680 HydrophobicContact CG2-CD2 4.03Å; T670-F680 HydrophobicContact CG2-CE2 4Å; T670-M695 HydrophobicContact CG2-SD 4.03Å; T670-F703 VanDerWaalsContact O-CA 3.32Å; T670-F703 WeakPolarHBondContact O-CA 3.3Å; T670-F703 WeakPolarHBondContact OG1-CD1 3.44Å; T670-F703 WeakPolarHBondContact OG1-CE1 3.45Å; T670-V704 PolarHBondContact O-N 3.01Å; T670-V704 VanDerWaalsContact O-N 3.16Å; T670-L724 HydrophobicContact CG2-CB 3.69Å; T670-L724 HydrophobicContact CG2-CD1 4.07Å; T670-L724 HydrophobicContact CG2-CG 4.45Å
671L90.2Very high89.5Confident27 Ų2748 Ų4814%0.14124%0.244CC..BIsolated β-bridgetrans-71.1133.4172.2-168.373.2000111.6Y471 S673 G674 V704 R705Y471-L671 HydrophobicContact CE2-CD2 4.41Å; L671-S673 VanDerWaalsContact C-N 3.3Å; L671-S673 PolarHBondContact O-N 3.07Å; L671-G674 PolarHBondContact O-N 3.36Å; L671-G674 VanDerWaalsContact O-N 3.17Å; L671-V704 HydrophobicContact CD1-CG2 4.31Å; L671-R705 WeakPolarHBondContact CD1-O 3.34Å
672D83.9Confident89.6Confident69 Ų6954.3 Ų54.337%0.36927%0.266SS..THydrogen-bonded Turntrans-62.7-30.2-171.4-169.836.4000114.6K677 F703 V704D672-K677 WeakPolarHBondContact O-CD 3.39Å; D672-K677 PolarHBondContact O-NZ 3.49Å; D672-K677 IonicContact OD1-NZ 3.83Å; D672-K677 PolarHBondContact OD1-NZ 3.48Å; D672-F703 HydrophobicContact CB-CB 4.21Å; D672-V704 WeakPolarHBondContact CB-O 3.38Å; D672-V704 PolarHBondContact N-O 3.26Å
673S75.4Confident89.7Confident53 Ų5348.8 Ų48.837%0.37124%0.244SC..THydrogen-bonded Turntrans-118.430176.9-63.70000112.7L671L671-S673 VanDerWaalsContact C-N 3.3Å; L671-S673 PolarHBondContact O-N 3.07Å
674G79.3Confident89.8Confident15 Ų1556.1 Ų56.116%0.15528%0.275CS..SBendtrans-94.7156.2-178.700000114.6L671 T676 K677L671-G674 PolarHBondContact O-N 3.36Å; L671-G674 VanDerWaalsContact O-N 3.17Å; G674-T676 PolarHBondContact O-N 3.44Å; G674-K677 PolarHBondContact O-N 3Å
675S85.9Confident90Very high20 Ų2055 Ų5514%0.1426%0.264CS..Hα-helixtrans-59-30.7170.3570000112.2T501 E678 F679T501-S675 PolarHBondContact OG1-OG 2.99Å; S675-E678 PolarHBondContact O-N 3.36Å; S675-F679 WeakPolarHBondContact O-CB 3.47Å; S675-F679 PolarHBondContact O-N 3.36Å
676T91.2Very high90.2Very high9 Ų952.5 Ų52.56%0.05527%0.266CS..Hα-helixtrans-63.1-40176.4-51.50000112.9I521 T670 G674 F679 F680I521-T676 HydrophobicContact CD1-CG2 3.84Å; I521-T676 HydrophobicContact CG1-CG2 3.91Å; I521-T676 HydrophobicContact CG2-CG2 3.95Å; T670-T676 HydrophobicContact CG2-CG2 3.57Å; G674-T676 PolarHBondContact O-N 3.44Å; T676-F679 WeakPolarHBondContact O-CB 3.44Å; T676-F679 PolarHBondContact O-N 3.39Å; T676-F680 HydrophobicContact CG2-CD2 4.09Å; T676-F680 HydrophobicContact CG2-CE2 3.71Å; T676-F680 WeakPolarHBondContact O-CD2 3.46Å; T676-F680 PolarHBondContact O-N 2.87Å
677K90.8Very high90.3Very high51 Ų5153.9 Ų53.922%0.22228%0.275CS..Hα-helixtrans-64.6-46.4176.9-178.7-176.6178.5-177.10111.2D672 G674 F679 F680 R681 W692 F703D672-K677 WeakPolarHBondContact O-CD 3.39Å; D672-K677 PolarHBondContact O-NZ 3.49Å; D672-K677 IonicContact OD1-NZ 3.83Å; D672-K677 PolarHBondContact OD1-NZ 3.48Å; G674-K677 PolarHBondContact O-N 3Å; K677-F679 VanDerWaalsContact C-N 3.29Å; K677-F679 PolarHBondContact O-N 3.33Å; K677-F680 PolarHBondContact O-N 2.55Å; K677-R681 PolarHBondContact O-N 3.09Å; K677-W692 HydrophobicContact CG-CH2 4.17Å; K677-W692 HydrophobicContact CG-CZ3 3.92Å; K677-F703 HydrophobicContact CD-CD1 4.19Å; K677-F703 HydrophobicContact CD-CE1 4.08Å; K677-F703 HydrophobicContact CG-CD1 4.42Å; K677-F703 HydrophobicContact CG-CE1 3.92Å
678E87.8Confident90.3Very high62 Ų6253.7 Ų53.729%0.2927%0.269SS..Hα-helixtrans-67.2-31.8178.4-168.964-169.800112S675 R681 R682S675-E678 PolarHBondContact O-N 3.36Å; E678-R681 PolarHBondContact O-N 3.05Å; E678-R681 WeakPolarHBondContact OE2-CD 3.04Å; E678-R681 IonicContact OE2-NH1 2.82Å; E678-R682 HydrophobicContact CG-CG 4.47Å; E678-R682 WeakPolarHBondContact O-CB 3.42Å; E678-R682 WeakPolarHBondContact O-CG 3.36Å; E678-R682 PolarHBondContact O-N 3.2Å; E678-R682 IonicContact OE1-CZ 2.72Å; E678-R682 VanDerWaalsContact OE1-CZ 3.3Å; E678-R682 IonicContact OE1-NE 2.71Å; E678-R682 PolarHBondContact OE1-NE 3.05Å; E678-R682 IonicContact OE1-NH2 3.84Å; E678-R682 PolarHBondContact OE1-NH2 3.33Å
679F92.3Very high90.3Very high53 Ų5357.2 Ų57.223%0.23229%0.289CS..Hα-helixtrans-58.3-51.6171.7170.8-93.1000111.4I521 S675 T676 K677 R681 R682 S683 F688 D749I521-F679 HydrophobicContact CD1-CB 4.35Å; I521-F679 HydrophobicContact CD1-CD1 3.33Å; I521-F679 HydrophobicContact CD1-CD2 4.47Å; I521-F679 HydrophobicContact CD1-CE1 3.63Å; I521-F679 HydrophobicContact CD1-CG 3.8Å; I521-F679 HydrophobicContact CD1-CZ 4.31Å; S675-F679 WeakPolarHBondContact O-CB 3.47Å; S675-F679 PolarHBondContact O-N 3.36Å; T676-F679 WeakPolarHBondContact O-CB 3.44Å; T676-F679 PolarHBondContact O-N 3.39Å; K677-F679 VanDerWaalsContact C-N 3.29Å; K677-F679 PolarHBondContact O-N 3.33Å; F679-R681 VanDerWaalsContact C-N 3.34Å; F679-R681 PolarHBondContact O-N 3.34Å; F679-R682 PolarHBondContact O-N 3.16Å; F679-S683 VanDerWaalsContact O-CB 3.31Å; F679-S683 WeakPolarHBondContact O-CB 3.43Å; F679-S683 PolarHBondContact O-N 2.81Å; F679-F688 HydrophobicContact CE1-CD2 4.03Å; F679-F688 HydrophobicContact CE1-CE2 4.22Å; F679-F688 HydrophobicContact CE1-CG 4.49Å; F679-F688 HydrophobicContact CZ-CD2 4.06Å; F679-F688 HydrophobicContact CZ-CE2 4.02Å; F679-D749 HydrophobicContact CE2-CB 4.2Å; F679-D749 HydrophobicContact CZ-CB 4.23Å
680F92.9Very high90.2Very high0 Ų062.8 Ų62.80%031%0.313CS..Hα-helixtrans-64.9-37.9177.8-74.4-69.9000112.3I521 T670 T676 K677 R682 S683 F688 M691 W692 M695 L724 L748I521-F680 HydrophobicContact CD1-CE2 4.35Å; T670-F680 HydrophobicContact CG2-CD2 4.03Å; T670-F680 HydrophobicContact CG2-CE2 4Å; T676-F680 HydrophobicContact CG2-CD2 4.09Å; T676-F680 HydrophobicContact CG2-CE2 3.71Å; T676-F680 WeakPolarHBondContact O-CD2 3.46Å; T676-F680 PolarHBondContact O-N 2.87Å; K677-F680 PolarHBondContact O-N 2.55Å; F680-R682 VanDerWaalsContact C-N 3.3Å; F680-R682 PolarHBondContact O-N 3.46Å; F680-S683 PolarHBondContact O-N 3.29Å; F680-F688 HydrophobicContact CD1-CB 4.01Å; F680-F688 HydrophobicContact CD1-CG 4.45Å; F680-F688 HydrophobicContact CE1-CB 4.14Å; F680-F688 AromaticContact CE1-CD1 3.88Å; F680-F688 HydrophobicContact CE1-CD1 3.88Å; F680-F688 HydrophobicContact CE1-CG 4.12Å; F680-M691 HydrophobicContact CD1-CB 4.47Å; F680-M691 HydrophobicContact CE1-CB 4.46Å; F680-M691 HydrophobicContact CE1-CE 4.3Å; F680-M691 HydrophobicContact CE1-SD 4.13Å; F680-M691 HydrophobicContact CZ-CE 4.37Å; F680-W692 HydrophobicContact CB-CB 4.17Å; F680-W692 HydrophobicContact CB-CD2 4.39Å; F680-W692 HydrophobicContact CB-CE3 3.83Å; F680-W692 WeakPolarHBondContact O-CB 3.27Å; F680-M695 HydrophobicContact CB-CE 3.66Å; F680-M695 HydrophobicContact CD1-CE 3.92Å; F680-M695 HydrophobicContact CD2-CE 3.6Å; F680-M695 HydrophobicContact CE2-CE 4.24Å; F680-M695 HydrophobicContact CG-CE 3.44Å; F680-M695 VanDerWaalsContact CG-CE 3.44Å; F680-L724 HydrophobicContact CE2-CD1 3.7Å; F680-L724 HydrophobicContact CZ-CD1 3.74Å; F680-L748 HydrophobicContact CZ-CD1 4.24Å
681R91.1Very high90.2Very high154 Ų15462.8 Ų62.858%0.58131%0.313SS*.Hα-helixtrans-61.2-34.8176-173.5-178.5-177.2-177.23.3113.6K677 E678 F679 W692K677-R681 PolarHBondContact O-N 3.09Å; E678-R681 PolarHBondContact O-N 3.05Å; E678-R681 WeakPolarHBondContact OE2-CD 3.04Å; E678-R681 IonicContact OE2-NH1 2.82Å; F679-R681 VanDerWaalsContact C-N 3.34Å; F679-R681 PolarHBondContact O-N 3.34Å; R681-W692 HydrophobicContact CB-CD2 4.23Å; R681-W692 HydrophobicContact CB-CE3 4.48Å; R681-W692 HydrophobicContact CB-CH2 3.96Å; R681-W692 HydrophobicContact CB-CZ2 3.66Å; R681-W692 HydrophobicContact CB-CZ3 4.36Å; R681-W692 HydrophobicContact CG-CH2 4.3Å; R681-W692 HydrophobicContact CG-CZ2 3.63Å
682R90.9Very high90.5Very high144 Ų14462.9 Ų62.954%0.54331%0.311SS..Hα-helixtrans-97.1-12.5-178.5-67.2-173.8-174.9-160.31.8114.2E678 F679 F680E678-R682 HydrophobicContact CG-CG 4.47Å; E678-R682 WeakPolarHBondContact O-CB 3.42Å; E678-R682 WeakPolarHBondContact O-CG 3.36Å; E678-R682 PolarHBondContact O-N 3.2Å; E678-R682 IonicContact OE1-CZ 2.72Å; E678-R682 VanDerWaalsContact OE1-CZ 3.3Å; E678-R682 IonicContact OE1-NE 2.71Å; E678-R682 PolarHBondContact OE1-NE 3.05Å; E678-R682 IonicContact OE1-NH2 3.84Å; E678-R682 PolarHBondContact OE1-NH2 3.33Å; F679-R682 PolarHBondContact O-N 3.16Å; F680-R682 VanDerWaalsContact C-N 3.3Å; F680-R682 PolarHBondContact O-N 3.46Å
683S91.8Very high91Very high19 Ų1962.3 Ų62.313%0.13331%0.311CS..  trans-64.3137.5-175-173.80000110.9F679 F680 I685 F688F679-S683 VanDerWaalsContact O-CB 3.31Å; F679-S683 WeakPolarHBondContact O-CB 3.43Å; F679-S683 PolarHBondContact O-N 2.81Å; F680-S683 PolarHBondContact O-N 3.29Å; S683-I685 PolarHBondContact OG-N 3.49Å; S683-F688 WeakPolarHBondContact OG-CB 3.26Å; S683-F688 WeakPolarHBondContact OG-CD2 3.38Å
684K92.5Very high91.9Very high206 Ų20662.5 Ų62.590%0.89630%0.304SS*.  trans-105.22.3175.9-61.2-173.1178.9-177.20112.9
685I93.2Very high92.6Very high98 Ų9861.9 Ų61.950%0.50330%0.297SS..SBendtrans-79.7126.3179.5-62.4171.4000107.9S683 V687 F688 D689S683-I685 PolarHBondContact OG-N 3.49Å; I685-V687 VanDerWaalsContact C-N 3.28Å; I685-V687 PolarHBondContact O-N 3.42Å; I685-V687 VanDerWaalsContact O-N 3.14Å; I685-F688 HydrophobicContact CB-CB 4.41Å; I685-F688 HydrophobicContact CB-CD2 3.76Å; I685-F688 HydrophobicContact CB-CE2 4.39Å; I685-F688 HydrophobicContact CB-CG 4.32Å; I685-F688 HydrophobicContact CD1-CD2 3.79Å; I685-F688 HydrophobicContact CD1-CE2 3.72Å; I685-F688 HydrophobicContact CG1-CD2 4.28Å; I685-F688 HydrophobicContact CG2-CD2 4.07Å; I685-F688 HydrophobicContact CG2-CE2 4.39Å; I685-F688 HydrophobicContact CG2-CG 4.47Å; I685-F688 PolarHBondContact O-N 3.49Å; I685-D689 PolarHBondContact O-N 2.94Å
686A93.7Very high93Very high80 Ų8069 Ų6966%0.66132%0.32SS*.Hα-helixtrans-52.5-41-171.800000114.1D689 K690A686-D689 PolarHBondContact O-N 2.92Å; A686-K690 WeakPolarHBondContact O-CB 3.32Å; A686-K690 PolarHBondContact O-N 3.38Å
687V93.8Very high93.1Very high43 Ų4372.5 Ų72.526%0.26135%0.345SS..Hα-helixtrans-61.7-46.1176.81800000111.1E658 I685 K690 M691E658-V687 HydrophobicContact CB-CG1 4.48Å; E658-V687 HydrophobicContact CG-CG2 4.49Å; I685-V687 VanDerWaalsContact C-N 3.28Å; I685-V687 PolarHBondContact O-N 3.42Å; I685-V687 VanDerWaalsContact O-N 3.14Å; V687-K690 PolarHBondContact O-N 2.98Å; V687-M691 WeakPolarHBondContact O-CG 3.29Å; V687-M691 PolarHBondContact O-N 2.91Å
688F94.8Very high93.2Very high20 Ų2071 Ų719%0.08834%0.342CS..Hα-helixtrans-74.4-32.3-178.3-60.9-26.8000112.9A657 F679 F680 S683 I685 M691 W692 L748A657-F688 HydrophobicContact CB-CE1 4.45Å; F679-F688 HydrophobicContact CE1-CD2 4.03Å; F679-F688 HydrophobicContact CE1-CE2 4.22Å; F679-F688 HydrophobicContact CE1-CG 4.49Å; F679-F688 HydrophobicContact CZ-CD2 4.06Å; F679-F688 HydrophobicContact CZ-CE2 4.02Å; F680-F688 HydrophobicContact CD1-CB 4.01Å; F680-F688 HydrophobicContact CD1-CG 4.45Å; F680-F688 HydrophobicContact CE1-CB 4.14Å; F680-F688 AromaticContact CE1-CD1 3.88Å; F680-F688 HydrophobicContact CE1-CD1 3.88Å; F680-F688 HydrophobicContact CE1-CG 4.12Å; S683-F688 WeakPolarHBondContact OG-CB 3.26Å; S683-F688 WeakPolarHBondContact OG-CD2 3.38Å; I685-F688 HydrophobicContact CB-CB 4.41Å; I685-F688 HydrophobicContact CB-CD2 3.76Å; I685-F688 HydrophobicContact CB-CE2 4.39Å; I685-F688 HydrophobicContact CB-CG 4.32Å; I685-F688 HydrophobicContact CD1-CD2 3.79Å; I685-F688 HydrophobicContact CD1-CE2 3.72Å; I685-F688 HydrophobicContact CG1-CD2 4.28Å; I685-F688 HydrophobicContact CG2-CD2 4.07Å; I685-F688 HydrophobicContact CG2-CE2 4.39Å; I685-F688 HydrophobicContact CG2-CG 4.47Å; I685-F688 PolarHBondContact O-N 3.49Å; F688-M691 HydrophobicContact CD1-SD 4.09Å; F688-M691 WeakPolarHBondContact O-CB 3.45Å; F688-M691 PolarHBondContact O-N 3.1Å; F688-W692 WeakPolarHBondContact O-CB 3.4Å; F688-W692 PolarHBondContact O-N 2.7Å; F688-L748 HydrophobicContact CE1-CB 4.36Å; F688-L748 HydrophobicContact CE1-CD1 4.27Å; F688-L748 HydrophobicContact CE1-CD2 4.26Å; F688-L748 HydrophobicContact CZ-CB 3.99Å; F688-L748 HydrophobicContact CZ-CD2 4.41Å
689D94.3Very high93.3Very high79 Ų7977.1 Ų77.142%0.42237%0.371SS..Hα-helixtrans-67.8-39173.4-172.533.1000111.3I685 A686 M691 W692 T693I685-D689 PolarHBondContact O-N 2.94Å; A686-D689 PolarHBondContact O-N 2.92Å; D689-M691 VanDerWaalsContact C-N 3.35Å; D689-M691 PolarHBondContact O-N 2.99Å; D689-W692 PolarHBondContact O-N 2.86Å; D689-T693 WeakPolarHBondContact O-CB 3.34Å; D689-T693 PolarHBondContact O-N 2.62Å; D689-T693 PolarHBondContact O-OG1 3.44Å
690K94Very high93.3Very high116 Ų11679.6 Ų79.650%0.50439%0.392SS..Hα-helixtrans-61.1-44.2170.9-168.1-179.1-175-164.50111.5S661 A686 V687 T693 Y694S661-K690 VanDerWaalsContact O-CE 3.22Å; S661-K690 WeakPolarHBondContact O-CE 3.27Å; S661-K690 PolarHBondContact O-NZ 2.96Å; A686-K690 WeakPolarHBondContact O-CB 3.32Å; A686-K690 PolarHBondContact O-N 3.38Å; V687-K690 PolarHBondContact O-N 2.98Å; K690-T693 PolarHBondContact O-N 2.68Å; K690-Y694 PolarHBondContact O-N 3.21Å
691M94.8Very high93.3Very high0 Ų082.9 Ų82.90%042%0.415CS..Hα-helixtrans-61.9-42.4174.8-70.7178.477.600112.5A657 L660 Y668 F680 V687 F688 D689 Y694 M695 L724A657-M691 HydrophobicContact CB-CE 4.49Å; A657-M691 HydrophobicContact CB-SD 4.1Å; L660-M691 HydrophobicContact CB-CE 4.47Å; L660-M691 HydrophobicContact CD1-CE 4.31Å; Y668-M691 HydrophobicContact CD2-CE 3.87Å; Y668-M691 HydrophobicContact CE2-CB 3.82Å; Y668-M691 HydrophobicContact CE2-CE 3.72Å; Y668-M691 HydrophobicContact CE2-CG 3.95Å; Y668-M691 WeakPolarHBondContact OH-CA 3.16Å; F680-M691 HydrophobicContact CD1-CB 4.47Å; F680-M691 HydrophobicContact CE1-CB 4.46Å; F680-M691 HydrophobicContact CE1-CE 4.3Å; F680-M691 HydrophobicContact CE1-SD 4.13Å; F680-M691 HydrophobicContact CZ-CE 4.37Å; V687-M691 WeakPolarHBondContact O-CG 3.29Å; V687-M691 PolarHBondContact O-N 2.91Å; F688-M691 HydrophobicContact CD1-SD 4.09Å; F688-M691 WeakPolarHBondContact O-CB 3.45Å; F688-M691 PolarHBondContact O-N 3.1Å; D689-M691 VanDerWaalsContact C-N 3.35Å; D689-M691 PolarHBondContact O-N 2.99Å; M691-Y694 PolarHBondContact O-N 3.38Å; M691-M695 HydrophobicContact CB-CE 4.43Å; M691-M695 WeakPolarHBondContact O-CG 3.42Å; M691-M695 PolarHBondContact O-N 3.3Å; M691-L724 HydrophobicContact CE-CD1 3.7Å
692W95.1Very high93.5Very high29 Ų2975.7 Ų75.711%0.1139%0.388CS..Hα-helixtrans-64.5-43.1176.8177.1-118.2000112.1K677 F680 R681 F688 D689 Y694 M695 R696 F703K677-W692 HydrophobicContact CG-CH2 4.17Å; K677-W692 HydrophobicContact CG-CZ3 3.92Å; F680-W692 HydrophobicContact CB-CB 4.17Å; F680-W692 HydrophobicContact CB-CD2 4.39Å; F680-W692 HydrophobicContact CB-CE3 3.83Å; F680-W692 WeakPolarHBondContact O-CB 3.27Å; R681-W692 HydrophobicContact CB-CD2 4.23Å; R681-W692 HydrophobicContact CB-CE3 4.48Å; R681-W692 HydrophobicContact CB-CH2 3.96Å; R681-W692 HydrophobicContact CB-CZ2 3.66Å; R681-W692 HydrophobicContact CB-CZ3 4.36Å; R681-W692 HydrophobicContact CG-CH2 4.3Å; R681-W692 HydrophobicContact CG-CZ2 3.63Å; F688-W692 WeakPolarHBondContact O-CB 3.4Å; F688-W692 PolarHBondContact O-N 2.7Å; D689-W692 PolarHBondContact O-N 2.86Å; W692-Y694 VanDerWaalsContact C-N 3.3Å; W692-Y694 PolarHBondContact O-N 2.75Å; W692-M695 HydrophobicContact CE3-CB 4.43Å; W692-M695 HydrophobicContact CE3-CE 4.14Å; W692-M695 PolarHBondContact O-N 3.29Å; W692-R696 WeakPolarHBondContact O-CB 3.41Å; W692-R696 PolarHBondContact O-N 2.94Å; W692-F703 HydrophobicContact CH2-CZ 4.33Å; W692-F703 HydrophobicContact CZ3-CE1 4.17Å; W692-F703 AromaticContact CZ3-CZ 3.86Å; W692-F703 HydrophobicContact CZ3-CZ 3.86Å
693T94.6Very high93.7Very high58 Ų5870.4 Ų70.436%0.35637%0.369SS..Hα-helixtrans-57.8-45.8176.7-62.80000110.6D689 K690 R696 S697D689-T693 WeakPolarHBondContact O-CB 3.34Å; D689-T693 PolarHBondContact O-N 2.62Å; D689-T693 PolarHBondContact O-OG1 3.44Å; K690-T693 PolarHBondContact O-N 2.68Å; T693-R696 PolarHBondContact O-N 2.99Å; T693-S697 PolarHBondContact O-N 3.26Å; T693-S697 VanDerWaalsContact O-N 3.12Å; T693-S697 PolarHBondContact O-OG 3.5Å
694Y95Very high93.8Very high57 Ų5769.5 Ų69.522%0.22436%0.363CS..Hα-helixtrans-59.9-51.5172.5171.3-94.8000112.2A667 Y668 K690 M691 W692 R696 S697 A698 V702A667-Y694 WeakPolarHBondContact CA-OH 3.28Å; A667-Y694 WeakPolarHBondContact CB-OH 3.43Å; Y668-Y694 HydrophobicContact CD1-CD1 4.29Å; Y668-Y694 AromaticContact CD1-CE1 3.98Å; Y668-Y694 HydrophobicContact CD1-CE1 3.98Å; Y668-Y694 HydrophobicContact CD2-CD1 4.19Å; Y668-Y694 HydrophobicContact CD2-CE1 4.35Å; Y668-Y694 AromaticContact CE1-CD1 3.68Å; Y668-Y694 HydrophobicContact CE1-CD1 3.68Å; Y668-Y694 AromaticContact CE1-CE1 3.74Å; Y668-Y694 HydrophobicContact CE1-CE1 3.74Å; Y668-Y694 HydrophobicContact CE1-CG 4.33Å; Y668-Y694 AromaticContact CE2-CD1 3.56Å; Y668-Y694 HydrophobicContact CE2-CD1 3.56Å; Y668-Y694 HydrophobicContact CE2-CE1 4.12Å; Y668-Y694 HydrophobicContact CE2-CG 4.45Å; Y668-Y694 HydrophobicContact CG-CE1 4.28Å; Y668-Y694 AromaticContact CZ-CD1 3.27Å; Y668-Y694 AromaticContact CZ-CE1 3.82Å; Y668-Y694 AromaticContact CZ-CG 3.88Å; Y668-Y694 WeakPolarHBondContact OH-CB 3.4Å; Y668-Y694 WeakPolarHBondContact OH-CD1 3.37Å; K690-Y694 PolarHBondContact O-N 3.21Å; M691-Y694 PolarHBondContact O-N 3.38Å; W692-Y694 VanDerWaalsContact C-N 3.3Å; W692-Y694 PolarHBondContact O-N 2.75Å; Y694-R696 VanDerWaalsContact C-N 3.25Å; Y694-R696 PolarHBondContact O-N 3.18Å; Y694-S697 CarbonylContact O-C 3.55Å; Y694-S697 PolarHBondContact O-N 2.64Å; Y694-S697 VanDerWaalsContact O-N 3.14Å; Y694-S697 PolarHBondContact O-OG 2.72Å; Y694-A698 HydrophobicContact CE1-CB 4.44Å; Y694-A698 VanDerWaalsContact O-CB 3.3Å; Y694-A698 WeakPolarHBondContact O-CB 3.26Å; Y694-A698 PolarHBondContact O-N 3.38Å; Y694-V702 HydrophobicContact CE1-CG1 4.45Å
695M94.9Very high93.6Very high2 Ų269.8 Ų69.81%0.0136%0.359CS..Hα-helixtrans-61.1-34.4-178.4-74.5-172.1-78.400112.7Y668 T670 F680 M691 W692 V702 F703Y668-M695 HydrophobicContact CD2-CG 4.11Å; Y668-M695 HydrophobicContact CD2-SD 4.44Å; Y668-M695 HydrophobicContact CE2-CG 4.01Å; T670-M695 HydrophobicContact CG2-SD 4.03Å; F680-M695 HydrophobicContact CB-CE 3.66Å; F680-M695 HydrophobicContact CD1-CE 3.92Å; F680-M695 HydrophobicContact CD2-CE 3.6Å; F680-M695 HydrophobicContact CE2-CE 4.24Å; F680-M695 HydrophobicContact CG-CE 3.44Å; F680-M695 VanDerWaalsContact CG-CE 3.44Å; M691-M695 HydrophobicContact CB-CE 4.43Å; M691-M695 WeakPolarHBondContact O-CG 3.42Å; M691-M695 PolarHBondContact O-N 3.3Å; W692-M695 HydrophobicContact CE3-CB 4.43Å; W692-M695 HydrophobicContact CE3-CE 4.14Å; W692-M695 PolarHBondContact O-N 3.29Å; M695-V702 HydrophobicContact CB-CG2 4.06Å; M695-V702 HydrophobicContact CG-CG2 4.01Å; M695-F703 HydrophobicContact CB-CE1 4.3Å; M695-F703 HydrophobicContact CB-CZ 3.83Å; M695-F703 WeakPolarHBondContact O-CE2 3.43Å; M695-F703 HydrophobicContact SD-CE1 4.33Å
696R93.6Very high93.3Very high169 Ų16968.7 Ų68.764%0.63836%0.357SS*.Hα-helixtrans-70.9-36.3176.9-177-18065-175.3-4.8112.3W692 T693 Y694W692-R696 WeakPolarHBondContact O-CB 3.41Å; W692-R696 PolarHBondContact O-N 2.94Å; T693-R696 PolarHBondContact O-N 2.99Å; Y694-R696 VanDerWaalsContact C-N 3.25Å; Y694-R696 PolarHBondContact O-N 3.18Å
697S93.6Very high93Very high83 Ų8366 Ų6658%0.5833%0.332SS*.Hα-helixtrans-96.12.4-177.966.90000114.2T693 Y694 E699T693-S697 PolarHBondContact O-N 3.26Å; T693-S697 VanDerWaalsContact O-N 3.12Å; T693-S697 PolarHBondContact O-OG 3.5Å; Y694-S697 CarbonylContact O-C 3.55Å; Y694-S697 PolarHBondContact O-N 2.64Å; Y694-S697 VanDerWaalsContact O-N 3.14Å; Y694-S697 PolarHBondContact O-OG 2.72Å; S697-E699 PolarHBondContact O-N 3.49Å
698A92.6Very high92.9Very high19 Ų1967.3 Ų67.316%0.15735%0.348CS..  trans-77.1124-174.400000112.1Y694 P700 V702Y694-A698 HydrophobicContact CE1-CB 4.44Å; Y694-A698 VanDerWaalsContact O-CB 3.3Å; Y694-A698 WeakPolarHBondContact O-CB 3.26Å; Y694-A698 PolarHBondContact O-N 3.38Å; A698-P700 CarbonylContact O-C 3.47Å; A698-V702 HydrophobicContact CB-CB 4.43Å; A698-V702 HydrophobicContact CB-CG1 3.57Å; A698-V702 HydrophobicContact CB-CG2 4.07Å
699E90.7Very high92.9Very high190 Ų19070.4 Ų70.489%0.88836%0.362SS*.SBendtrans-118.9121.7172.5-65.7-177.8179.300109S697S697-E699 PolarHBondContact O-N 3.49Å
700P92.1Very high92.8Very high106 Ų10666.6 Ų66.669%0.68834%0.342SS*.SBendcis-74.1165.8-0.233.2-37.1000113.1A698 V702A698-P700 CarbonylContact O-C 3.47Å; P700-V702 PolarHBondContact O-N 3.17Å; P700-V702 VanDerWaalsContact O-N 3.15Å
701S93.2Very high92.9Very high68 Ų6861.4 Ų61.448%0.47632%0.32SS..  trans-47.3122.6179.5-179.90000112.1F703 R713S701-F703 VanDerWaalsContact C-N 3.28Å; S701-F703 PolarHBondContact OG-N 3.22Å; S701-F703 PolarHBondContact OG-O 3.37Å; S701-R713 PolarHBondContact O-NH1 2.95Å; S701-R713 PolarHBondContact O-NH2 3.44Å; S701-R713 VanDerWaalsContact O-NH2 3.11Å
702V95.1Very high92.9Very high3 Ų363.2 Ų63.22%0.01834%0.335CS..  trans-81.1-13.3173.4-66.60000112.2Y668 G669 Y694 M695 A698 P700 Y721Y668-V702 VanDerWaalsContact O-CB 3.27Å; Y668-V702 WeakPolarHBondContact O-CB 3.44Å; Y668-V702 WeakPolarHBondContact O-CG2 3.19Å; G669-V702 WeakPolarHBondContact CA-O 3.09Å; Y694-V702 HydrophobicContact CE1-CG1 4.45Å; M695-V702 HydrophobicContact CB-CG2 4.06Å; M695-V702 HydrophobicContact CG-CG2 4.01Å; A698-V702 HydrophobicContact CB-CB 4.43Å; A698-V702 HydrophobicContact CB-CG1 3.57Å; A698-V702 HydrophobicContact CB-CG2 4.07Å; P700-V702 PolarHBondContact O-N 3.17Å; P700-V702 VanDerWaalsContact O-N 3.15Å; V702-Y721 HydrophobicContact CB-CE2 4.47Å; V702-Y721 PolarHBondContact O-OH 3.21Å
703F94.5Very high92.9Very high33 Ų3364.9 Ų64.915%0.14534%0.341CS..  trans-79141.7178-55.1-73.6000111.5T670 D672 K677 W692 M695 S701T670-F703 VanDerWaalsContact O-CA 3.32Å; T670-F703 WeakPolarHBondContact O-CA 3.3Å; T670-F703 WeakPolarHBondContact OG1-CD1 3.44Å; T670-F703 WeakPolarHBondContact OG1-CE1 3.45Å; D672-F703 HydrophobicContact CB-CB 4.21Å; K677-F703 HydrophobicContact CD-CD1 4.19Å; K677-F703 HydrophobicContact CD-CE1 4.08Å; K677-F703 HydrophobicContact CG-CD1 4.42Å; K677-F703 HydrophobicContact CG-CE1 3.92Å; W692-F703 HydrophobicContact CH2-CZ 4.33Å; W692-F703 HydrophobicContact CZ3-CE1 4.17Å; W692-F703 AromaticContact CZ3-CZ 3.86Å; W692-F703 HydrophobicContact CZ3-CZ 3.86Å; M695-F703 HydrophobicContact CB-CE1 4.3Å; M695-F703 HydrophobicContact CB-CZ 3.83Å; M695-F703 WeakPolarHBondContact O-CE2 3.43Å; M695-F703 HydrophobicContact SD-CE1 4.33Å; S701-F703 VanDerWaalsContact C-N 3.28Å; S701-F703 PolarHBondContact OG-N 3.22Å; S701-F703 PolarHBondContact OG-O 3.37Å
704V93.1Very high92.9Very high1 Ų162.1 Ų62.11%0.00632%0.324CS..BIsolated β-bridgetrans-116.4154.7177.4-63.50000110.6T670 L671 D672 E709 Y723T670-V704 PolarHBondContact O-N 3.01Å; T670-V704 VanDerWaalsContact O-N 3.16Å; L671-V704 HydrophobicContact CD1-CG2 4.31Å; D672-V704 WeakPolarHBondContact CB-O 3.38Å; D672-V704 PolarHBondContact N-O 3.26Å; V704-E709 HydrophobicContact CB-CB 4.28Å; V704-E709 HydrophobicContact CB-CG 4.08Å; V704-E709 HydrophobicContact CG1-CG 4.09Å; V704-Y723 HydrophobicContact CG2-CD2 4.39Å; V704-Y723 HydrophobicContact CG2-CE2 3.4Å; V704-Y723 WeakPolarHBondContact CG2-OH 3.47Å
705R88.3Confident92.9Very high211 Ų21162.5 Ų62.580%0.79633%0.325SS*.SBendtrans-84.7-32.5-177.5-64.1179.8178.3174.80.3112.6L671 E709L671-R705 WeakPolarHBondContact CD1-O 3.34Å; R705-E709 WeakPolarHBondContact CB-OE2 3.45Å; R705-E709 PolarHBondContact N-OE2 2.77Å
706T87.8Confident92.9Very high76 Ų7670.5 Ų70.547%0.46636%0.36SS..SBendtrans-130.9154.6-178.266.10000111.7A708 E709 G710T706-A708 VanDerWaalsContact C-N 3.29Å; T706-A708 PolarHBondContact O-N 3.16Å; T706-E709 WeakPolarHBondContact O-CB 3.46Å; T706-E709 PolarHBondContact O-N 3.06Å; T706-E709 WeakPolarHBondContact OG1-CB 3.17Å; T706-E709 PolarHBondContact OG1-N 3.23Å; T706-G710 PolarHBondContact O-N 2.62Å
707T87.9Confident92.8Very high22 Ų2264.3 Ų64.314%0.13534%0.342CS..Hα-helixtrans-58.9-41.3176.8-50.80000111.6E423 E709 G710 V711 L725 M729E423-T707 PolarHBondContact OE1-OG1 2.79Å; T707-E709 VanDerWaalsContact C-N 3.34Å; T707-E709 PolarHBondContact O-N 2.98Å; T707-G710 PolarHBondContact O-N 3.34Å; T707-V711 WeakPolarHBondContact O-CG2 3.32Å; T707-V711 PolarHBondContact O-N 2.78Å; T707-L725 HydrophobicContact CG2-CD1 4.47Å; T707-M729 HydrophobicContact CG2-CE 3.74Å; T707-M729 HydrophobicContact CG2-CG 3.86Å
708A91.8Very high92.5Very high72 Ų7269 Ų6960%0.59535%0.352SS*.Hα-helixtrans-64.2-36.1179.500000113T706 V711 A712T706-A708 VanDerWaalsContact C-N 3.29Å; T706-A708 PolarHBondContact O-N 3.16Å; A708-V711 PolarHBondContact O-N 2.75Å; A708-A712 WeakPolarHBondContact O-CB 3.31Å; A708-A712 PolarHBondContact O-N 3.34Å
709E93.2Very high92.3Very high84 Ų8469.3 Ų69.339%0.39336%0.357SS..Hα-helixtrans-62.8-45.1174-177.1-171.5173.800111.3V704 R705 T706 T707 A712 R713V704-E709 HydrophobicContact CB-CB 4.28Å; V704-E709 HydrophobicContact CB-CG 4.08Å; V704-E709 HydrophobicContact CG1-CG 4.09Å; R705-E709 WeakPolarHBondContact CB-OE2 3.45Å; R705-E709 PolarHBondContact N-OE2 2.77Å; T706-E709 WeakPolarHBondContact O-CB 3.46Å; T706-E709 PolarHBondContact O-N 3.06Å; T706-E709 WeakPolarHBondContact OG1-CB 3.17Å; T706-E709 PolarHBondContact OG1-N 3.23Å; T707-E709 VanDerWaalsContact C-N 3.34Å; T707-E709 PolarHBondContact O-N 2.98Å; E709-A712 PolarHBondContact O-N 3.45Å; E709-R713 WeakPolarHBondContact O-CB 3.32Å; E709-R713 PolarHBondContact O-N 3.47Å
710G93.5Very high92.4Very high0 Ų065 Ų650%034%0.336CS..Hα-helixtrans-59-47.8174.900000112.9T706 T707 R713 V714T706-G710 PolarHBondContact O-N 2.62Å; T707-G710 PolarHBondContact O-N 3.34Å; G710-R713 WeakPolarHBondContact O-CB 3.38Å; G710-R713 PolarHBondContact O-N 3.23Å; G710-V714 WeakPolarHBondContact O-CG2 3.45Å; G710-V714 PolarHBondContact O-N 3.42Å
711V94.9Very high92.5Very high7 Ų760 Ų604%0.04230%0.303CS..Hα-helixtrans-60.5-48.4176.5174.80000110.8M524 T707 A708 R713 V714 R715 I733M524-V711 HydrophobicContact CE-CG2 4.2Å; M524-V711 HydrophobicContact SD-CG2 3.97Å; T707-V711 WeakPolarHBondContact O-CG2 3.32Å; T707-V711 PolarHBondContact O-N 2.78Å; A708-V711 PolarHBondContact O-N 2.75Å; V711-R713 VanDerWaalsContact C-N 3.28Å; V711-R713 PolarHBondContact O-N 3.41Å; V711-V714 PolarHBondContact O-N 3.38Å; V711-R715 HydrophobicContact CG1-CG 4.5Å; V711-R715 VanDerWaalsContact O-CG 3.32Å; V711-R715 WeakPolarHBondContact O-CG 3.3Å; V711-R715 PolarHBondContact O-N 3.33Å; V711-I733 HydrophobicContact CG1-CG2 3.72Å; V711-I733 HydrophobicContact CG2-CD1 4.36Å; V711-I733 HydrophobicContact CG2-CG1 4.1Å; V711-I733 HydrophobicContact CG2-CG2 4.14Å
712A95.3Very high92.6Very high37 Ų3756.8 Ų56.831%0.30628%0.281SS..Hα-helixtrans-62.4-35.6179.100000112.4A708 E709 R715 K716A708-A712 WeakPolarHBondContact O-CB 3.31Å; A708-A712 PolarHBondContact O-N 3.34Å; E709-A712 PolarHBondContact O-N 3.45Å; A712-R715 PolarHBondContact O-N 2.91Å; A712-K716 WeakPolarHBondContact O-CB 3.31Å; A712-K716 VanDerWaalsContact O-CG 3.29Å; A712-K716 WeakPolarHBondContact O-CG 3.44Å; A712-K716 PolarHBondContact O-N 3.17Å
713R95.5Very high92.7Very high64 Ų6456.8 Ų56.824%0.24228%0.28CS..Hα-helixtrans-62.6-48.7175.2-169.4172.7179.1167.91.1110.9S701 E709 G710 V711 R715 K716 S717 Y721S701-R713 PolarHBondContact O-NH1 2.95Å; S701-R713 PolarHBondContact O-NH2 3.44Å; S701-R713 VanDerWaalsContact O-NH2 3.11Å; E709-R713 WeakPolarHBondContact O-CB 3.32Å; E709-R713 PolarHBondContact O-N 3.47Å; G710-R713 WeakPolarHBondContact O-CB 3.38Å; G710-R713 PolarHBondContact O-N 3.23Å; V711-R713 VanDerWaalsContact C-N 3.28Å; V711-R713 PolarHBondContact O-N 3.41Å; R713-R715 VanDerWaalsContact C-N 3.32Å; R713-R715 PolarHBondContact O-N 3.5Å; R713-K716 PolarHBondContact O-N 3.32Å; R713-S717 VanDerWaalsContact O-CB 3.31Å; R713-S717 WeakPolarHBondContact O-CB 3.26Å; R713-S717 PolarHBondContact O-N 3.38Å; R713-S717 PolarHBondContact O-OG 2.86Å; R713-Y721 HydrophobicContact CB-CD1 4.04Å; R713-Y721 HydrophobicContact CB-CE1 4.03Å; R713-Y721 HydrophobicContact CG-CD1 3.65Å; R713-Y721 HydrophobicContact CG-CE1 3.81Å; R713-Y721 HydrophobicContact CG-CG 4.04Å
714V95.1Very high92.7Very high0 Ų055.3 Ų55.30%027%0.274CS..Hα-helixtrans-56-46.7174.6175.70000111.4M524 K526 G710 V711 K716 S717 Y721 Y723M524-V714 HydrophobicContact CG-CG1 4.39Å; K526-V714 HydrophobicContact CB-CG1 4.15Å; K526-V714 VanDerWaalsContact N-CG1 3.34Å; G710-V714 WeakPolarHBondContact O-CG2 3.45Å; G710-V714 PolarHBondContact O-N 3.42Å; V711-V714 PolarHBondContact O-N 3.38Å; V714-K716 VanDerWaalsContact C-N 3.35Å; V714-K716 PolarHBondContact O-N 2.96Å; V714-S717 PolarHBondContact O-N 3.46Å; V714-Y721 HydrophobicContact CG2-CD1 3.69Å; V714-Y721 HydrophobicContact CG2-CE1 4.08Å; V714-Y723 HydrophobicContact CG2-CG 4.49Å
715R94Very high92.7Very high66 Ų6655.7 Ų55.725%0.24928%0.276CS..Hα-helixtrans-61.5-40.5-179.5-67.9-177.3167.4166.1-2.1112.7K526 V711 A712 R713 D740 T741K526-R715 PolarHBondContact NZ-O 3.2Å; V711-R715 HydrophobicContact CG1-CG 4.5Å; V711-R715 VanDerWaalsContact O-CG 3.32Å; V711-R715 WeakPolarHBondContact O-CG 3.3Å; V711-R715 PolarHBondContact O-N 3.33Å; A712-R715 PolarHBondContact O-N 2.91Å; R713-R715 VanDerWaalsContact C-N 3.32Å; R713-R715 PolarHBondContact O-N 3.5Å; R715-D740 VanDerWaalsContact CD-OD2 3.28Å; R715-D740 WeakPolarHBondContact CD-OD2 3.33Å; R715-D740 WeakPolarHBondContact CG-OD2 3.45Å; R715-D740 IonicContact CZ-OD1 3.19Å; R715-D740 IonicContact NE-OD1 2.7Å; R715-D740 PolarHBondContact NE-OD1 3.16Å; R715-D740 IonicContact NE-OD2 3.74Å; R715-D740 PolarHBondContact NE-OD2 2.72Å; R715-D740 IonicContact NH2-OD1 2.59Å; R715-D740 PolarHBondContact NH2-OD1 3.32Å; R715-T741 HydrophobicContact CG-CG2 4.35Å
716K94.2Very high93Very high170 Ų17046.7 Ų46.774%0.73924%0.243SC*.Hα-helixtrans-79.2-32.3-178.1-71.7176.1-179.1-1790113.3A712 R713 V714 K718A712-K716 WeakPolarHBondContact O-CB 3.31Å; A712-K716 VanDerWaalsContact O-CG 3.29Å; A712-K716 WeakPolarHBondContact O-CG 3.44Å; A712-K716 PolarHBondContact O-N 3.17Å; R713-K716 PolarHBondContact O-N 3.32Å; V714-K716 VanDerWaalsContact C-N 3.35Å; V714-K716 PolarHBondContact O-N 2.96Å; K716-K718 PolarHBondContact O-N 2.98Å; K716-K718 VanDerWaalsContact O-N 3.07Å
717S92.5Very high93.3Very high38 Ų3843.3 Ų43.327%0.26622%0.222SC..THydrogen-bonded Turntrans-73.45.1-174.4-68.70000115.6R713 V714 G719 K720 Y721R713-S717 VanDerWaalsContact O-CB 3.31Å; R713-S717 WeakPolarHBondContact O-CB 3.26Å; R713-S717 PolarHBondContact O-N 3.38Å; R713-S717 PolarHBondContact O-OG 2.86Å; V714-S717 PolarHBondContact O-N 3.46Å; S717-G719 PolarHBondContact O-N 3.4Å; S717-G719 VanDerWaalsContact O-N 3.07Å; S717-K720 WeakPolarHBondContact O-CB 3.21Å; S717-K720 PolarHBondContact O-N 2.91Å; S717-Y721 WeakPolarHBondContact OG-CB 3.34Å
718K88.3Confident93.6Very high181 Ų18142.3 Ų42.379%0.78722%0.216SC*.THydrogen-bonded Turntrans48.138.8178-58.9-176.1-178.7179.10113.7K716K716-K718 PolarHBondContact O-N 2.98Å; K716-K718 VanDerWaalsContact O-N 3.07Å
719G87.8Confident93.6Very high26 Ų2639.7 Ų39.727%0.26819%0.192SC..THydrogen-bonded Turntrans85.65.5-179.400000115.8S717S717-G719 PolarHBondContact O-N 3.4Å; S717-G719 VanDerWaalsContact O-N 3.07Å
720K92.2Very high93.6Very high99 Ų9935.7 Ų35.743%0.4317%0.173SC..SBendtrans-93.55.3176.2-57.3-64179.6-172.20114.6E665 I666 A667 S717E665-K720 HydrophobicContact CG-CD 4.21Å; E665-K720 IonicContact OE1-NZ 3.79Å; E665-K720 PolarHBondContact OE1-NZ 3.31Å; E665-K720 IonicContact OE2-NZ 2.85Å; I666-K720 WeakPolarHBondContact CA-O 3.24Å; A667-K720 PolarHBondContact N-O 2.84Å; S717-K720 WeakPolarHBondContact O-CB 3.21Å; S717-K720 PolarHBondContact O-N 2.91Å
721Y94.5Very high93.6Very high3 Ų337.5 Ų37.51%0.01218%0.181CC..EExtended strand (participates in β ladder)trans-139.3128.9174.4-178.3-102000110.1A667 V702 R713 V714 S717 Y723A667-Y721 HydrophobicContact CB-CD2 4.04Å; A667-Y721 CarbonylContact O-C 3.56Å; A667-Y721 WeakPolarHBondContact O-CA 3.38Å; V702-Y721 HydrophobicContact CB-CE2 4.47Å; V702-Y721 PolarHBondContact O-OH 3.21Å; R713-Y721 HydrophobicContact CB-CD1 4.04Å; R713-Y721 HydrophobicContact CB-CE1 4.03Å; R713-Y721 HydrophobicContact CG-CD1 3.65Å; R713-Y721 HydrophobicContact CG-CE1 3.81Å; R713-Y721 HydrophobicContact CG-CG 4.04Å; V714-Y721 HydrophobicContact CG2-CD1 3.69Å; V714-Y721 HydrophobicContact CG2-CE1 4.08Å; S717-Y721 WeakPolarHBondContact OG-CB 3.34Å; Y721-Y723 HydrophobicContact CE1-CD2 4.2Å; Y721-Y723 HydrophobicContact CE1-CG 4.48Å
722A95.2Very high93.5Very high0 Ų038 Ų380%018%0.182CC..EExtended strand (participates in β ladder)trans-107.6140.7171.900000109.9I523 M524 I525 L660 I666 A667 Y668 G669I523-A722 HydrophobicContact CG2-CB 4.14Å; M524-A722 WeakPolarHBondContact O-CA 3.26Å; I525-A722 HydrophobicContact CG2-CB 3.96Å; L660-A722 HydrophobicContact CD1-CB 4.38Å; L660-A722 HydrophobicContact CD2-CB 4.02Å; I666-A722 HydrophobicContact CG2-CB 4.17Å; A667-A722 PolarHBondContact O-N 3.39Å; Y668-A722 WeakPolarHBondContact CA-O 3.31Å; G669-A722 PolarHBondContact N-O 3.39Å
723Y96Very high93.4Very high3 Ų337.1 Ų37.11%0.01217%0.173CC..EExtended strand (participates in β ladder)trans-114.4127.9-178.9-173.3-128000110.6M524 G669 V704 V714 Y721 L725M524-Y723 PolarHBondContact N-O 3.38Å; M524-Y723 PolarHBondContact O-N 2.9Å; G669-Y723 WeakPolarHBondContact O-CD2 3.18Å; V704-Y723 HydrophobicContact CG2-CD2 4.39Å; V704-Y723 HydrophobicContact CG2-CE2 3.4Å; V704-Y723 WeakPolarHBondContact CG2-OH 3.47Å; V714-Y723 HydrophobicContact CG2-CG 4.49Å; Y721-Y723 HydrophobicContact CE1-CD2 4.2Å; Y721-Y723 HydrophobicContact CE1-CG 4.48Å; Y723-L725 HydrophobicContact CD1-CB 4.12Å; Y723-L725 HydrophobicContact CD1-CD1 4.27Å; Y723-L725 HydrophobicContact CD1-CD2 3.85Å; Y723-L725 HydrophobicContact CD1-CG 4.29Å; Y723-L725 HydrophobicContact CE1-CB 3.84Å; Y723-L725 HydrophobicContact CE1-CD1 4.17Å; Y723-L725 HydrophobicContact CE1-CD2 4.39Å; Y723-L725 HydrophobicContact CE1-CG 4.35Å; Y723-L725 WeakPolarHBondContact O-CD2 3.43Å
724L95.7Very high93.2Very high1 Ų137 Ų371%0.00518%0.175CC..EExtended strand (participates in β ladder)trans-97.5111.4-179.4-60.3176.5000109.1I521 I523 L660 Y668 G669 T670 F680 M691I521-L724 HydrophobicContact CG2-CB 4.3Å; I523-L724 HydrophobicContact CB-CD2 4.27Å; I523-L724 HydrophobicContact CG1-CD2 3.71Å; I523-L724 HydrophobicContact CG2-CD2 4.32Å; L660-L724 HydrophobicContact CD1-CD2 4.38Å; Y668-L724 HydrophobicContact CD2-CD1 4.28Å; G669-L724 PolarHBondContact O-N 3.41Å; T670-L724 HydrophobicContact CG2-CB 3.69Å; T670-L724 HydrophobicContact CG2-CD1 4.07Å; T670-L724 HydrophobicContact CG2-CG 4.45Å; F680-L724 HydrophobicContact CE2-CD1 3.7Å; F680-L724 HydrophobicContact CZ-CD1 3.74Å; M691-L724 HydrophobicContact CE-CD1 3.7Å
725L93.8Very high93Very high9 Ų938.8 Ų38.85%0.04718%0.183CC..EExtended strand (participates in β ladder)trans-144.1170.9-177.475.8163000110.8S522 M524 T707 Y723 M729 N730S522-L725 PolarHBondContact N-O 3.4Å; S522-L725 PolarHBondContact O-N 3.21Å; S522-L725 VanDerWaalsContact O-N 3.16Å; S522-L725 VanDerWaalsContact O-O 3.09Å; S522-L725 PolarHBondContact OG-O 2.98Å; M524-L725 HydrophobicContact CB-CD2 3.44Å; M524-L725 VanDerWaalsContact CB-CD2 3.44Å; M524-L725 HydrophobicContact CE-CD1 3.86Å; M524-L725 HydrophobicContact CE-CD2 3.95Å; M524-L725 HydrophobicContact CG-CD2 4.47Å; M524-L725 HydrophobicContact SD-CD2 4.38Å; T707-L725 HydrophobicContact CG2-CD1 4.47Å; Y723-L725 HydrophobicContact CD1-CB 4.12Å; Y723-L725 HydrophobicContact CD1-CD1 4.27Å; Y723-L725 HydrophobicContact CD1-CD2 3.85Å; Y723-L725 HydrophobicContact CD1-CG 4.29Å; Y723-L725 HydrophobicContact CE1-CB 3.84Å; Y723-L725 HydrophobicContact CE1-CD1 4.17Å; Y723-L725 HydrophobicContact CE1-CD2 4.39Å; Y723-L725 HydrophobicContact CE1-CG 4.35Å; Y723-L725 WeakPolarHBondContact O-CD2 3.43Å; L725-M729 HydrophobicContact CD1-CB 3.84Å; L725-M729 HydrophobicContact CD1-CG 3.73Å; L725-N730 HydrophobicContact CD1-CB 4.44Å; L725-N730 HydrophobicContact CD2-CB 4.11Å; L725-N730 HydrophobicContact CG-CB 4.23Å
726E93.7Very high92.9Very high23 Ų2339.1 Ų39.111%0.10719%0.185CC..EExtended strand (participates in β ladder)trans-66.9141.4178.9-67.7179.2152.100111.7T501 L519 G520 T728 M729 N730 Y753T501-E726 PolarHBondContact OG1-OE1 2.94Å; L519-E726 HydrophobicContact CD1-CB 3.99Å; L519-E726 HydrophobicContact CD1-CG 3.77Å; G520-E726 CarbonylContact O-C 3.51Å; G520-E726 WeakPolarHBondContact O-CA 3.44Å; E726-T728 VanDerWaalsContact C-N 3.26Å; E726-T728 PolarHBondContact O-N 2.91Å; E726-M729 PolarHBondContact O-N 3.32Å; E726-M729 VanDerWaalsContact O-N 3.09Å; E726-N730 PolarHBondContact O-N 3.01Å; E726-Y753 WeakPolarHBondContact OE2-CE1 3.43Å; E726-Y753 VanDerWaalsContact OE2-CZ 3.23Å; E726-Y753 PolarHBondContact OE2-OH 2.72Å
727S94.7Very high92.6Very high4 Ų437.6 Ų37.63%0.02818%0.178CC..Hα-helixtrans-59-35.6-172.461.10000113.7L519 G520 S522 M729 N730 E731 N747L519-S727 WeakPolarHBondContact CA-OG 3.39Å; G520-S727 PolarHBondContact N-OG 2.73Å; G520-S727 WeakPolarHBondContact O-CB 3.42Å; G520-S727 PolarHBondContact O-N 3.49Å; S522-S727 WeakPolarHBondContact OG-CA 3.31Å; S727-M729 VanDerWaalsContact C-N 3.32Å; S727-M729 PolarHBondContact O-N 3.23Å; S727-N730 PolarHBondContact O-N 2.9Å; S727-E731 WeakPolarHBondContact O-CB 3.49Å; S727-E731 VanDerWaalsContact O-CG 3.3Å; S727-E731 WeakPolarHBondContact O-CG 3.43Å; S727-E731 PolarHBondContact O-N 3.19Å; S727-N747 WeakPolarHBondContact CB-OD1 3.49Å
728T93Very high92.5Very high1 Ų140 Ų401%0.00619%0.193CC..Hα-helixtrans-59.4-43.7176.747.40000111.5Y426 M517 L519 E726 Y732 Y753 W788Y426-T728 WeakPolarHBondContact OH-CB 3.48Å; Y426-T728 PolarHBondContact OH-OG1 3.13Å; M517-T728 HydrophobicContact CG-CG2 4.04Å; M517-T728 HydrophobicContact SD-CG2 3.45Å; M517-T728 WeakPolarHBondContact SD-CG2 3.23Å; L519-T728 HydrophobicContact CB-CG2 3.81Å; L519-T728 HydrophobicContact CD2-CG2 4.21Å; E726-T728 VanDerWaalsContact C-N 3.26Å; E726-T728 PolarHBondContact O-N 2.91Å; T728-Y732 WeakPolarHBondContact O-CB 3.4Å; T728-Y732 PolarHBondContact O-N 3.07Å; T728-Y732 VanDerWaalsContact O-N 3.1Å; T728-Y753 HydrophobicContact CG2-CE2 4.37Å; T728-Y753 PolarHBondContact OG1-OH 3.31Å; T728-W788 PolarHBondContact O-NE1 3.36Å
729M92.5Very high92.5Very high18 Ų1833.3 Ų33.39%0.08917%0.168CC..Hα-helixtrans-74.8-34.9177.9-170.155.217500111.6E423 S424 T707 L725 E726 S727 Y732 I733E423-M729 HydrophobicContact CG-CE 4.42Å; S424-M729 VanDerWaalsContact O-SD 3.36Å; T707-M729 HydrophobicContact CG2-CE 3.74Å; T707-M729 HydrophobicContact CG2-CG 3.86Å; L725-M729 HydrophobicContact CD1-CB 3.84Å; L725-M729 HydrophobicContact CD1-CG 3.73Å; E726-M729 PolarHBondContact O-N 3.32Å; E726-M729 VanDerWaalsContact O-N 3.09Å; S727-M729 VanDerWaalsContact C-N 3.32Å; S727-M729 PolarHBondContact O-N 3.23Å; M729-Y732 HydrophobicContact CE-CD1 4.38Å; M729-Y732 PolarHBondContact O-N 3.25Å; M729-Y732 HydrophobicContact SD-CD1 4Å; M729-I733 HydrophobicContact CE-CD1 3.8Å; M729-I733 HydrophobicContact CE-CG1 4Å; M729-I733 HydrophobicContact CG-CG1 4.43Å; M729-I733 VanDerWaalsContact O-CG1 3.26Å; M729-I733 WeakPolarHBondContact O-CG1 3.46Å; M729-I733 PolarHBondContact O-N 3.45Å; M729-I733 HydrophobicContact SD-CG1 4.29Å
730N93.7Very high92.6Very high0 Ų033.5 Ų33.50%016%0.163CC..Hα-helixtrans-63.1-49.2175.6-162.72.7000111.8S522 I523 M524 L725 E726 S727 Y732 I733 E734S522-N730 VanDerWaalsContact OG-CB 3.25Å; S522-N730 WeakPolarHBondContact OG-CB 3.35Å; S522-N730 PolarHBondContact OG-ND2 2.87Å; I523-N730 PolarHBondContact O-ND2 3.48Å; I523-N730 VanDerWaalsContact O-ND2 3.09Å; M524-N730 WeakPolarHBondContact CB-OD1 3.41Å; M524-N730 HydrophobicContact CE-CB 4.39Å; M524-N730 VanDerWaalsContact CE-OD1 3.28Å; M524-N730 WeakPolarHBondContact CE-OD1 3.48Å; L725-N730 HydrophobicContact CD1-CB 4.44Å; L725-N730 HydrophobicContact CD2-CB 4.11Å; L725-N730 HydrophobicContact CG-CB 4.23Å; E726-N730 PolarHBondContact O-N 3.01Å; S727-N730 PolarHBondContact O-N 2.9Å; N730-Y732 VanDerWaalsContact C-N 3.29Å; N730-Y732 PolarHBondContact O-N 2.88Å; N730-I733 PolarHBondContact O-N 3.42Å; N730-E734 WeakPolarHBondContact O-CB 3.46Å; N730-E734 PolarHBondContact O-N 2.95Å
731E92.6Very high92.6Very high37 Ų3728.8 Ų28.817%0.17314%0.143CC..Hα-helixtrans-60.3-38.2175.6-73.1163.6-156.400111.7S727 Q735 K743S727-E731 WeakPolarHBondContact O-CB 3.49Å; S727-E731 VanDerWaalsContact O-CG 3.3Å; S727-E731 WeakPolarHBondContact O-CG 3.43Å; S727-E731 PolarHBondContact O-N 3.19Å; E731-Q735 WeakPolarHBondContact O-CG 3.36Å; E731-Q735 PolarHBondContact O-N 3.25Å; E731-K743 HydrophobicContact CG-CD 4.26Å; E731-K743 IonicContact OE1-NZ 2.67Å; E731-K743 PolarHBondContact OE1-NZ 3.08Å
732Y93.4Very high92.4Very high17 Ų1730.7 Ų30.77%0.06715%0.152CC..Hα-helixtrans-63.5-51.2174.6178.1-113.4000111.9P425 T728 M729 N730 E734 Q735 R736P425-Y732 HydrophobicContact CB-CD2 3.96Å; P425-Y732 HydrophobicContact CB-CE2 3.51Å; P425-Y732 HydrophobicContact CG-CD1 4.47Å; P425-Y732 HydrophobicContact CG-CD2 3.53Å; P425-Y732 HydrophobicContact CG-CE2 3.66Å; P425-Y732 HydrophobicContact CG-CG 3.96Å; T728-Y732 WeakPolarHBondContact O-CB 3.4Å; T728-Y732 PolarHBondContact O-N 3.07Å; T728-Y732 VanDerWaalsContact O-N 3.1Å; M729-Y732 HydrophobicContact CE-CD1 4.38Å; M729-Y732 PolarHBondContact O-N 3.25Å; M729-Y732 HydrophobicContact SD-CD1 4Å; N730-Y732 VanDerWaalsContact C-N 3.29Å; N730-Y732 PolarHBondContact O-N 2.88Å; Y732-E734 VanDerWaalsContact C-N 3.28Å; Y732-E734 PolarHBondContact O-N 3.02Å; Y732-Q735 WeakPolarHBondContact O-CA 3.26Å; Y732-Q735 WeakPolarHBondContact O-CB 3.47Å; Y732-Q735 PolarHBondContact O-N 2.8Å; Y732-R736 HydrophobicContact CD1-CG 4.35Å; Y732-R736 HydrophobicContact CE1-CG 4.05Å; Y732-R736 HydrophobicContact CE2-CG 4.5Å; Y732-R736 WeakPolarHBondContact O-CG 3.36Å; Y732-R736 PolarHBondContact O-N 3.06Å
733I93.5Very high92.2Very high19 Ų1933.3 Ų33.310%0.09716%0.163CC..Hα-helixtrans-64.8-33.3-176.5-66.1-62.8000111.8M524 V711 M729 N730 Q735 R736 T741M524-I733 HydrophobicContact CE-CB 3.65Å; M524-I733 HydrophobicContact CE-CG1 4.15Å; M524-I733 HydrophobicContact CE-CG2 3.63Å; M524-I733 HydrophobicContact SD-CG2 4.34Å; V711-I733 HydrophobicContact CG1-CG2 3.72Å; V711-I733 HydrophobicContact CG2-CD1 4.36Å; V711-I733 HydrophobicContact CG2-CG1 4.1Å; V711-I733 HydrophobicContact CG2-CG2 4.14Å; M729-I733 HydrophobicContact CE-CD1 3.8Å; M729-I733 HydrophobicContact CE-CG1 4Å; M729-I733 HydrophobicContact CG-CG1 4.43Å; M729-I733 VanDerWaalsContact O-CG1 3.26Å; M729-I733 WeakPolarHBondContact O-CG1 3.46Å; M729-I733 PolarHBondContact O-N 3.45Å; M729-I733 HydrophobicContact SD-CG1 4.29Å; N730-I733 PolarHBondContact O-N 3.42Å; I733-Q735 PolarHBondContact O-N 3.14Å; I733-R736 PolarHBondContact O-N 2.87Å; I733-R736 VanDerWaalsContact O-N 3.08Å; I733-T741 HydrophobicContact CG2-CG2 4.1Å
734E91.8Very high92Very high63 Ų6333.5 Ų33.529%0.29417%0.165SC..Hα-helixtrans-58.5-33.6171-179.2169.9178.300112.8N730 Y732 R736 K743 C794N730-E734 WeakPolarHBondContact O-CB 3.46Å; N730-E734 PolarHBondContact O-N 2.95Å; Y732-E734 VanDerWaalsContact C-N 3.28Å; Y732-E734 PolarHBondContact O-N 3.02Å; E734-R736 VanDerWaalsContact C-N 3.3Å; E734-R736 PolarHBondContact O-N 3.4Å; E734-K743 PolarHBondContact OE2-N 2.81Å; E734-C794 PolarHBondContact O-SG 3.41Å
735Q90.3Very high91.6Very high37 Ų3735.4 Ų35.417%0.17318%0.184CC..THydrogen-bonded Turntrans-83.21176.7-63.1-58.6-33.300114.3E731 Y732 I733 E793 C794E731-Q735 WeakPolarHBondContact O-CG 3.36Å; E731-Q735 PolarHBondContact O-N 3.25Å; Y732-Q735 WeakPolarHBondContact O-CA 3.26Å; Y732-Q735 WeakPolarHBondContact O-CB 3.47Å; Y732-Q735 PolarHBondContact O-N 2.8Å; I733-Q735 PolarHBondContact O-N 3.14Å; Q735-E793 PolarHBondContact O-N 3.17Å; Q735-C794 PolarHBondContact O-N 3.1Å; Q735-C794 PolarHBondContact O-SG 3.34Å
736R90.5Very high91.5Very high73 Ų7337.6 Ų37.628%0.27521%0.21SC..SBendtrans-100.7143.2179.3-56.1-59-70.8156.112.1111.3Y732 I733 E734 C739 E793 C794Y732-R736 HydrophobicContact CD1-CG 4.35Å; Y732-R736 HydrophobicContact CE1-CG 4.05Å; Y732-R736 HydrophobicContact CE2-CG 4.5Å; Y732-R736 WeakPolarHBondContact O-CG 3.36Å; Y732-R736 PolarHBondContact O-N 3.06Å; I733-R736 PolarHBondContact O-N 2.87Å; I733-R736 VanDerWaalsContact O-N 3.08Å; E734-R736 VanDerWaalsContact C-N 3.3Å; E734-R736 PolarHBondContact O-N 3.4Å; R736-C739 PolarHBondContact O-N 3.4Å; R736-E793 VanDerWaalsContact CZ-CD 3.41Å; R736-E793 IonicContact CZ-OE1 3.52Å; R736-E793 IonicContact CZ-OE2 3.62Å; R736-E793 IonicContact NH1-OE1 3.77Å; R736-E793 PolarHBondContact NH1-OE1 3.45Å; R736-E793 IonicContact NH1-OE2 2.76Å; R736-E793 IonicContact NH2-OE1 3.32Å; R736-E793 PolarHBondContact NH2-OE1 2.8Å; R736-E793 IonicContact NH2-OE2 3.7Å; R736-C794 PolarHBondContact O-SG 2.97Å
737K89Confident91.5Very high138 Ų13839.8 Ų39.860%0.622%0.222SC*.THydrogen-bonded Turntrans-56.9141.9172.2-72.9174.2179.2177.40110.9E793K737-E793 HydrophobicContact CD-CB 4.29Å; K737-E793 HydrophobicContact CG-CB 3.94Å
738P89.8Confident91.3Very high89 Ų8941.5 Ų41.558%0.57823%0.23SC*.THydrogen-bonded Turncis-92.7266.637.5-34.6000115D740P738-D740 HydrophobicContact CG-CB 4.07Å; P738-D740 PolarHBondContact O-N 2.7Å
739C88.2Confident91.2Very high39 Ų3942.5 Ų42.526%0.26424%0.236SC..  trans59.734.4177.7-350000113.2R736 C794R736-C739 PolarHBondContact O-N 3.4Å; C739-C794 VanDerWaalsContact CA-SG 3.55Å; C739-C794 HydrophobicContact CB-CB 3.88Å; C739-C794 WeakPolarHBondContact CB-SG 3.48Å; C739-C794 WeakPolarHBondContact SG-CA 3.2Å; C739-C794 WeakPolarHBondContact SG-CB 3.4Å; C739-C794 CovalentContact SG-SG 2.02Å; C739-C794 PolarHBondContact SG-SG 3.02Å
740D90.4Very high91.1Very high30 Ų3047.7 Ų47.716%0.1627%0.274CS..  trans-99.53.6-172.264.3-15.8000113.7K526 K527 R715 P738K526-D740 CarbonylContact C-O 3.55Å; K526-D740 VanDerWaalsContact CA-O 3.31Å; K526-D740 WeakPolarHBondContact CA-O 3.34Å; K526-D740 WeakPolarHBondContact CG-O 3.46Å; K527-D740 PolarHBondContact N-O 2.7Å; R715-D740 VanDerWaalsContact CD-OD2 3.28Å; R715-D740 WeakPolarHBondContact CD-OD2 3.33Å; R715-D740 WeakPolarHBondContact CG-OD2 3.45Å; R715-D740 IonicContact CZ-OD1 3.19Å; R715-D740 IonicContact NE-OD1 2.7Å; R715-D740 PolarHBondContact NE-OD1 3.16Å; R715-D740 IonicContact NE-OD2 3.74Å; R715-D740 PolarHBondContact NE-OD2 2.72Å; R715-D740 IonicContact NH2-OD1 2.59Å; R715-D740 PolarHBondContact NH2-OD1 3.32Å; P738-D740 HydrophobicContact CG-CB 4.07Å; P738-D740 PolarHBondContact O-N 2.7Å
741T92Very high91Very high1 Ų149.3 Ų49.31%0.00628%0.281CS..EExtended strand (participates in β ladder)trans-112.5153.1175.755.80000109.9M524 I525 R715 I733M524-T741 HydrophobicContact CG-CG2 4.17Å; M524-T741 HydrophobicContact SD-CG2 3.92Å; I525-T741 WeakPolarHBondContact O-CA 3.36Å; R715-T741 HydrophobicContact CG-CG2 4.35Å; I733-T741 HydrophobicContact CG2-CG2 4.1Å
742M90.1Very high91Very high42 Ų4248 Ų4821%0.20728%0.277CS..EExtended strand (participates in β ladder)trans-143.2147.6170.963.1179-6500110.5I525 K527 P528 V744I525-M742 HydrophobicContact CD1-CG 4.08Å; I525-M742 HydrophobicContact CD1-SD 4.09Å; I525-M742 HydrophobicContact CG1-CG 3.58Å; I525-M742 HydrophobicContact CG1-SD 4.26Å; I525-M742 PolarHBondContact N-O 2.78Å; I525-M742 VanDerWaalsContact N-O 3.15Å; I525-M742 PolarHBondContact O-N 3.22Å; K527-M742 HydrophobicContact CB-CB 4.42Å; K527-M742 HydrophobicContact CB-CG 4.35Å; K527-M742 HydrophobicContact CB-SD 4.44Å; K527-M742 HydrophobicContact CG-SD 4.27Å; P528-M742 VanDerWaalsContact CD-SD 3.58Å; M742-V744 HydrophobicContact CE-CG1 3.75Å; M742-V744 HydrophobicContact CG-CG1 4.27Å; M742-V744 HydrophobicContact SD-CG1 4.34Å
743K91.9Very high91.2Very high55 Ų5547.1 Ų47.124%0.23927%0.274CS..EExtended strand (participates in β ladder)trans-77.4130.7166.8-178.8-179.2178.3-170.60109.7I523 E731 E734 N747I523-K743 WeakPolarHBondContact O-CA 3.46Å; E731-K743 HydrophobicContact CG-CD 4.26Å; E731-K743 IonicContact OE1-NZ 2.67Å; E731-K743 PolarHBondContact OE1-NZ 3.08Å; E734-K743 PolarHBondContact OE2-N 2.81Å; K743-N747 WeakPolarHBondContact CE-OD1 3.44Å; K743-N747 PolarHBondContact NZ-OD1 3.42Å
744V91.1Very high91.3Very high8 Ų846.2 Ų46.25%0.04827%0.269CS..EExtended strand (participates in β ladder)trans-117.7143.7171.8-67.20000111.4I523 I525 I654 M742I523-V744 HydrophobicContact CB-CG2 3.67Å; I523-V744 HydrophobicContact CG2-CG2 3.65Å; I523-V744 PolarHBondContact O-N 3.46Å; I523-V744 VanDerWaalsContact O-N 3.08Å; I525-V744 HydrophobicContact CD1-CG1 3.44Å; I525-V744 VanDerWaalsContact CD1-CG1 3.44Å; I525-V744 HydrophobicContact CD1-CG2 4.3Å; I525-V744 HydrophobicContact CG1-CG1 3.75Å; I525-V744 HydrophobicContact CG1-CG2 4.25Å; I525-V744 HydrophobicContact CG2-CG2 4.06Å; I654-V744 HydrophobicContact CG2-CG2 4.2Å; M742-V744 HydrophobicContact CE-CG1 3.75Å; M742-V744 HydrophobicContact CG-CG1 4.27Å; M742-V744 HydrophobicContact SD-CG1 4.34Å
745G88.6Confident91.5Very high40 Ų4043.2 Ų43.241%0.41226%0.255SS..SBendtrans70.8177.8-179.200000114.7E655E655-G745 WeakPolarHBondContact O-CA 3.37Å; E655-G745 PolarHBondContact O-N 2.94Å
746G90.8Very high91.9Very high56 Ų5641.5 Ų41.558%0.57725%0.247SC*.SBendtrans-73.2173.5167.500000112
747N93Very high92.1Very high69 Ų6938.1 Ų38.137%0.36923%0.234SC..  trans-70.2140.5170-64.6-9.1000109.7G520 I521 S727 K743 D749G520-N747 PolarHBondContact N-ND2 3.25Å; I521-N747 CarbonylContact O-C 3.47Å; I521-N747 WeakPolarHBondContact O-CA 3.15Å; S727-N747 WeakPolarHBondContact CB-OD1 3.49Å; K743-N747 WeakPolarHBondContact CE-OD1 3.44Å; K743-N747 PolarHBondContact NZ-OD1 3.42Å; N747-D749 VanDerWaalsContact C-N 3.33Å
748L90.8Very high92.4Very high39 Ų3933 Ų3320%0.20422%0.215CC..SBendtrans-77.9-20.7-178.5-56.3176.5000113.3I521 A657 F680 F688I521-L748 HydrophobicContact CB-CB 4.22Å; I521-L748 HydrophobicContact CB-CD1 4.29Å; I521-L748 HydrophobicContact CB-CG 4.49Å; I521-L748 HydrophobicContact CG2-CD1 3.86Å; I521-L748 PolarHBondContact O-N 3.02Å; A657-L748 HydrophobicContact CB-CD1 3.98Å; A657-L748 HydrophobicContact CB-CD2 3.38Å; A657-L748 HydrophobicContact CB-CG 4.33Å; F680-L748 HydrophobicContact CZ-CD1 4.24Å; F688-L748 HydrophobicContact CE1-CB 4.36Å; F688-L748 HydrophobicContact CE1-CD1 4.27Å; F688-L748 HydrophobicContact CE1-CD2 4.26Å; F688-L748 HydrophobicContact CZ-CB 3.99Å; F688-L748 HydrophobicContact CZ-CD2 4.41Å
749D90.5Very high92.4Very high23 Ų2335.1 Ų35.112%0.12322%0.215CC..SBendtrans-145.4174.6178.463.51.9000110.9G520 I521 F679 N747 K751G520-D749 WeakPolarHBondContact CA-O 3.27Å; G520-D749 WeakPolarHBondContact CA-OD1 3.37Å; I521-D749 VanDerWaalsContact CD1-OD2 3.31Å; I521-D749 WeakPolarHBondContact CD1-OD2 3.31Å; I521-D749 PolarHBondContact N-OD1 2.88Å; F679-D749 HydrophobicContact CE2-CB 4.2Å; F679-D749 HydrophobicContact CZ-CB 4.23Å; N747-D749 VanDerWaalsContact C-N 3.33Å; D749-K751 WeakPolarHBondContact OD2-CD 3.36Å; D749-K751 WeakPolarHBondContact OD2-CE 3.42Å; D749-K751 IonicContact OD2-NZ 3.6Å; D749-K751 PolarHBondContact OD2-NZ 3.36Å
750S90.7Very high92.3Very high127 Ų12736.5 Ų36.589%0.88824%0.237SC*.  trans-118106.6174.5-65.50000109.2
751K91.3Very high92.2Very high34 Ų3436.5 Ų36.515%0.14824%0.239CC..EExtended strand (participates in β ladder)trans-121.5170.8-179.4-79.2168.5167.6153.30110.1T501 L519 D749T501-K751 HydrophobicContact CG2-CB 4Å; T501-K751 HydrophobicContact CG2-CD 3.77Å; T501-K751 HydrophobicContact CG2-CG 4.01Å; L519-K751 HydrophobicContact CD1-CB 3.64Å; L519-K751 HydrophobicContact CD1-CD 4.39Å; L519-K751 HydrophobicContact CG-CB 4.19Å; L519-K751 PolarHBondContact N-O 2.93Å; L519-K751 CarbonylContact O-C 3.48Å; L519-K751 WeakPolarHBondContact O-CA 3.39Å; L519-K751 PolarHBondContact O-N 3.05Å; D749-K751 WeakPolarHBondContact OD2-CD 3.36Å; D749-K751 WeakPolarHBondContact OD2-CE 3.42Å; D749-K751 IonicContact OD2-NZ 3.6Å; D749-K751 PolarHBondContact OD2-NZ 3.36Å
752G94.2Very high92Very high8 Ų841.1 Ų41.18%0.08227%0.271CS..EExtended strand (participates in β ladder)trans-151.3153.2170.700000112.2I502 M517I502-G752 PolarHBondContact N-O 3.41Å; M517-G752 WeakPolarHBondContact O-CA 3.49Å
753Y96.2Very high91.9Very high0 Ų039.7 Ų39.70%026%0.264CS..EExtended strand (participates in β ladder)trans-84.3137.2166.3-61.6-40.6000110.1Y426 P499 L500 P515 F516 M517 L519 E726 T728Y426-Y753 HydrophobicContact CE1-CD2 4.45Å; Y426-Y753 AromaticContact CE1-CE2 3.87Å; Y426-Y753 HydrophobicContact CE1-CE2 3.87Å; Y426-Y753 AromaticContact CZ-CE2 3.81Å; Y426-Y753 WeakPolarHBondContact OH-CE2 3.49Å; Y426-Y753 PolarHBondContact OH-OH 3.4Å; P499-Y753 VanDerWaalsContact C-CD1 3.44Å; P499-Y753 HydrophobicContact CB-CD1 4.27Å; P499-Y753 HydrophobicContact CB-CD2 4.14Å; P499-Y753 HydrophobicContact CB-CE1 3.82Å; P499-Y753 HydrophobicContact CB-CE2 3.68Å; P499-Y753 HydrophobicContact CB-CG 4.42Å; P499-Y753 WeakPolarHBondContact O-CE1 3.17Å; L500-Y753 WeakPolarHBondContact O-CA 3.4Å; P515-Y753 CarbonylContact C-O 3.6Å; P515-Y753 WeakPolarHBondContact CA-O 3.46Å; F516-Y753 WeakPolarHBondContact CD1-O 3.44Å; F516-Y753 HydrophobicContact CE2-CD2 4.35Å; F516-Y753 VanDerWaalsContact CZ-CB 3.4Å; F516-Y753 HydrophobicContact CZ-CD2 4.26Å; F516-Y753 HydrophobicContact CZ-CG 4.26Å; F516-Y753 PolarHBondContact N-O 3.27Å; M517-Y753 HydrophobicContact CB-CD2 4.29Å; M517-Y753 PolarHBondContact O-N 3.42Å; M517-Y753 HydrophobicContact SD-CD2 4.3Å; M517-Y753 HydrophobicContact SD-CE2 4.43Å; L519-Y753 HydrophobicContact CD2-CD1 3.56Å; L519-Y753 HydrophobicContact CD2-CD2 3.56Å; L519-Y753 HydrophobicContact CD2-CE1 3.33Å; L519-Y753 HydrophobicContact CD2-CE2 3.32Å; L519-Y753 HydrophobicContact CD2-CG 3.66Å; E726-Y753 WeakPolarHBondContact OE2-CE1 3.43Å; E726-Y753 VanDerWaalsContact OE2-CZ 3.23Å; E726-Y753 PolarHBondContact OE2-OH 2.72Å; T728-Y753 HydrophobicContact CG2-CE2 4.37Å; T728-Y753 PolarHBondContact OG1-OH 3.31Å
754G95.7Very high91.8Very high0 Ų041.6 Ų41.60%027%0.27CS..  trans-128.7155.2174.300000110.6L500L500-G754 PolarHBondContact O-N 3.05Å
755I97.1Very high91.8Very high0 Ų046.7 Ų46.70%030%0.297CS..  trans-77.6127.4170.7-59177.9000107.2I453 I495 I497 F512 S513 F516 V767 V771I453-I755 HydrophobicContact CD1-CD1 3.89Å; I453-I755 HydrophobicContact CG1-CD1 3.9Å; I495-I755 HydrophobicContact CD1-CG2 3.64Å; I495-I755 HydrophobicContact CG1-CG2 3.63Å; I497-I755 HydrophobicContact CG1-CD1 4.49Å; I497-I755 HydrophobicContact CG1-CG2 3.95Å; F512-I755 CarbonylContact C-O 3.48Å; F512-I755 WeakPolarHBondContact CA-O 3.42Å; S513-I755 PolarHBondContact N-O 3.32Å; S513-I755 PolarHBondContact OG-N 3.43Å; F516-I755 HydrophobicContact CD1-CG1 4.12Å; F516-I755 HydrophobicContact CE1-CG1 4.29Å; I755-V767 HydrophobicContact CB-CG1 3.98Å; I755-V767 HydrophobicContact CD1-CG1 3.75Å; I755-V767 HydrophobicContact CG1-CG1 4.46Å; I755-V767 HydrophobicContact CG2-CG1 3.79Å; I755-V771 HydrophobicContact CD1-CG2 3.6Å; I755-V771 HydrophobicContact CG1-CG2 4.36Å
756A97.1Very high92Very high0 Ų046.8 Ų46.80%029%0.294CS..EExtended strand (participates in β ladder)trans-100.4139.8-179.200000111.6L488 I495 A496 L500 I510 D511 F512L488-A756 HydrophobicContact CD1-CB 3.55Å; I495-A756 WeakPolarHBondContact CA-O 3.28Å; I495-A756 WeakPolarHBondContact CG1-O 3.42Å; A496-A756 HydrophobicContact CB-CB 4.24Å; A496-A756 PolarHBondContact N-O 2.76Å; A496-A756 PolarHBondContact O-N 3.37Å; A496-A756 VanDerWaalsContact O-N 3.15Å; L500-A756 HydrophobicContact CD2-CB 3.81Å; I510-A756 HydrophobicContact CD1-CB 3.79Å; D511-A756 WeakPolarHBondContact O-CA 3.37Å; F512-A756 HydrophobicContact CD1-CB 4Å; F512-A756 HydrophobicContact CE1-CB 3.81Å; F512-A756 HydrophobicContact CZ-CB 4.22Å
757T96.2Very high92.1Very high2 Ų244.1 Ų44.11%0.01227%0.266CS..EExtended strand (participates in β ladder)trans-127.4153.5174.953.80000109.7I495 D511 L763I495-T757 HydrophobicContact CD1-CG2 4.23Å; I495-T757 HydrophobicContact CG1-CG2 3.96Å; D511-T757 PolarHBondContact N-O 2.94Å; D511-T757 PolarHBondContact O-N 3.34Å; D511-T757 PolarHBondContact O-OG1 3.4Å; T757-L763 HydrophobicContact CG2-CB 4.37Å
758P94Very high92.2Very high31 Ų3142.6 Ų42.620%0.20126%0.258CS..EExtended strand (participates in β ladder)trans-55.3143.1168.7-2334.2000110L488 D494 G760 S761L488-P758 HydrophobicContact CB-CG 4.36Å; L488-P758 HydrophobicContact CD2-CG 4.26Å; D494-P758 WeakPolarHBondContact O-CD 3.5Å; P758-G760 PolarHBondContact O-N 2.9Å; P758-S761 WeakPolarHBondContact O-CB 3.35Å; P758-S761 PolarHBondContact O-N 2.92Å
759K90.2Very high92.4Very high133 Ų13346.3 Ų46.358%0.57828%0.278SS*.THydrogen-bonded Turntrans-58.3129.4-176.9-164172-168.5170.90110.8E508 S761E508-K759 PolarHBondContact O-NZ 2.9Å; K759-S761 VanDerWaalsContact C-N 3.3Å; K759-S761 PolarHBondContact O-N 3.23Å
760G86.5Confident92.6Very high69 Ų6945.5 Ų45.571%0.71127%0.274SS*.THydrogen-bonded Turntrans76.110.8-17700000115.2D511 P758D511-G760 PolarHBondContact OD2-N 2.87Å; D511-G760 VanDerWaalsContact OD2-N 3.09Å; P758-G760 PolarHBondContact O-N 2.9Å
761S88.1Confident92.8Very high30 Ų3039.6 Ų39.621%0.2123%0.233CC..  trans-64.6138.3175.5179.40000112.2P758 K759 L763 R764P758-S761 WeakPolarHBondContact O-CB 3.35Å; P758-S761 PolarHBondContact O-N 2.92Å; K759-S761 VanDerWaalsContact C-N 3.3Å; K759-S761 PolarHBondContact O-N 3.23Å; S761-L763 PolarHBondContact O-N 3.31Å; S761-L763 PolarHBondContact OG-N 2.89Å; S761-R764 WeakPolarHBondContact O-CB 3.18Å; S761-R764 PolarHBondContact O-N 3.29Å
762S87.8Confident93Very high98 Ų9841 Ų4169%0.68524%0.241SC*.THydrogen-bonded Turntrans-64-22.6174.756.60000113.3R764S762-R764 VanDerWaalsContact C-N 3.27Å; S762-R764 PolarHBondContact O-N 3.46Å
763L88.7Confident93Very high11 Ų1145.5 Ų45.56%0.05826%0.259CS..Hα-helixtrans-69.4-24.3178.2-67.5174.4000112.8L411 V416 F459 T757 S761 N765 A766 V767L411-L763 HydrophobicContact CD1-CD2 4.15Å; L411-L763 HydrophobicContact CD2-CD2 4.19Å; V416-L763 HydrophobicContact CG1-CD1 4.11Å; V416-L763 HydrophobicContact CG2-CD1 4.5Å; F459-L763 HydrophobicContact CD1-CD2 4.46Å; T757-L763 HydrophobicContact CG2-CB 4.37Å; S761-L763 PolarHBondContact O-N 3.31Å; S761-L763 PolarHBondContact OG-N 2.89Å; L763-N765 PolarHBondContact O-N 3.35Å; L763-A766 PolarHBondContact O-N 3.31Å; L763-V767 HydrophobicContact CB-CG2 4.38Å; L763-V767 WeakPolarHBondContact O-CB 3.35Å; L763-V767 VanDerWaalsContact O-CG2 3.22Å; L763-V767 WeakPolarHBondContact O-CG2 3.36Å; L763-V767 PolarHBondContact O-N 2.94Å
764R89Confident93Very high96 Ų9645.5 Ų45.536%0.36226%0.259SS..Hα-helixtrans-54-52.6-172.3179.3-171.3171.5178.7-6.6112.3D511 S761 S762 N768D511-R764 HydrophobicContact CB-CG 4.32Å; D511-R764 IonicContact OD1-NH1 3.95Å; D511-R764 PolarHBondContact OD1-NH1 3.35Å; D511-R764 WeakPolarHBondContact OD2-CD 3.44Å; D511-R764 IonicContact OD2-CZ 3.41Å; D511-R764 IonicContact OD2-NE 3.43Å; D511-R764 IonicContact OD2-NH1 2.67Å; D511-R764 PolarHBondContact OD2-NH1 2.85Å; S761-R764 WeakPolarHBondContact O-CB 3.18Å; S761-R764 PolarHBondContact O-N 3.29Å; S762-R764 VanDerWaalsContact C-N 3.27Å; S762-R764 PolarHBondContact O-N 3.46Å; R764-N768 WeakPolarHBondContact O-CB 3.48Å; R764-N768 PolarHBondContact O-N 3.3Å
765N91.2Very high92.9Very high114 Ų11449.5 Ų49.561%0.6128%0.28SS*.Hα-helixtrans-67.5-43.2-174.8-72-16.5000111.6L763 N768 L769L763-N765 PolarHBondContact O-N 3.35Å; N765-N768 PolarHBondContact O-N 3.29Å; N765-L769 WeakPolarHBondContact O-CG 3.18Å; N765-L769 PolarHBondContact O-N 3.36Å
766A92.1Very high92.8Very high42 Ų4257.3 Ų57.335%0.34732%0.317SS..Hα-helixtrans-62.5-46.7178.300000111.7L763 L769 A770L763-A766 PolarHBondContact O-N 3.31Å; A766-L769 PolarHBondContact O-N 3.47Å; A766-A770 WeakPolarHBondContact O-CB 3.41Å; A766-A770 PolarHBondContact O-N 3.42Å
767V94.3Very high92.7Very high1 Ų163 Ų631%0.00634%0.343CS..Hα-helixtrans-65.3-41.7177.8172.20000110.9I453 I495 I755 L763 L769 A770 V771I453-V767 HydrophobicContact CG2-CG1 4.43Å; I453-V767 HydrophobicContact CG2-CG2 4.1Å; I495-V767 HydrophobicContact CD1-CG1 4.38Å; I495-V767 HydrophobicContact CD1-CG2 3.77Å; I755-V767 HydrophobicContact CB-CG1 3.98Å; I755-V767 HydrophobicContact CD1-CG1 3.75Å; I755-V767 HydrophobicContact CG1-CG1 4.46Å; I755-V767 HydrophobicContact CG2-CG1 3.79Å; L763-V767 HydrophobicContact CB-CG2 4.38Å; L763-V767 WeakPolarHBondContact O-CB 3.35Å; L763-V767 VanDerWaalsContact O-CG2 3.22Å; L763-V767 WeakPolarHBondContact O-CG2 3.36Å; L763-V767 PolarHBondContact O-N 2.94Å; V767-L769 PolarHBondContact O-N 3.31Å; V767-A770 PolarHBondContact O-N 3.44Å; V767-V771 HydrophobicContact CG1-CG2 4.38Å; V767-V771 WeakPolarHBondContact O-CG2 3.45Å; V767-V771 PolarHBondContact O-N 2.97Å
768N94.4Very high92.6Very high36 Ų3664.2 Ų64.219%0.19336%0.356CS..Hα-helixtrans-62-42.8179.2-172.156.6000112.5K514 R764 N765 L772K514-N768 WeakPolarHBondContact CG-OD1 3.1Å; K514-N768 PolarHBondContact N-OD1 3.49Å; R764-N768 WeakPolarHBondContact O-CB 3.48Å; R764-N768 PolarHBondContact O-N 3.3Å; N765-N768 PolarHBondContact O-N 3.29Å; N768-L772 WeakPolarHBondContact O-CG 3.2Å; N768-L772 PolarHBondContact O-N 2.78Å
769L94.6Very high92.6Very high118 Ų11864.4 Ų64.462%0.61836%0.355SS*.Hα-helixtrans-67.5-38.8174.1-68.8174.8000112N765 A766 V767 L772 K773N765-L769 WeakPolarHBondContact O-CG 3.18Å; N765-L769 PolarHBondContact O-N 3.36Å; A766-L769 PolarHBondContact O-N 3.47Å; V767-L769 PolarHBondContact O-N 3.31Å; L769-L772 PolarHBondContact O-N 2.89Å; L769-K773 PolarHBondContact O-N 3.43Å
770A94.9Very high92.8Very high6 Ų658.3 Ų58.35%0.0533%0.329CS..Hα-helixtrans-60.9-46.3175.500000111.4I453 H456 A766 V767 L772 K773 L774I453-A770 HydrophobicContact CD1-CB 3.9Å; H456-A770 HydrophobicContact CB-CB 3.92Å; A766-A770 WeakPolarHBondContact O-CB 3.41Å; A766-A770 PolarHBondContact O-N 3.42Å; V767-A770 PolarHBondContact O-N 3.44Å; A770-L772 VanDerWaalsContact C-N 3.33Å; A770-L772 PolarHBondContact O-N 3.46Å; A770-K773 PolarHBondContact O-N 3.18Å; A770-K773 VanDerWaalsContact O-N 3.17Å; A770-L774 VanDerWaalsContact O-CG 3.29Å; A770-L774 WeakPolarHBondContact O-CG 3.29Å; A770-L774 PolarHBondContact O-N 2.98Å
771V95.5Very high93.1Very high2 Ų259.6 Ų59.61%0.01232%0.32CS..Hα-helixtrans-58.3-43.6177.4171.20000111.7I453 F516 I755 V767 L774 N775I453-V771 HydrophobicContact CD1-CG2 3.89Å; F516-V771 HydrophobicContact CB-CG1 3.9Å; I755-V771 HydrophobicContact CD1-CG2 3.6Å; I755-V771 HydrophobicContact CG1-CG2 4.36Å; V767-V771 HydrophobicContact CG1-CG2 4.38Å; V767-V771 WeakPolarHBondContact O-CG2 3.45Å; V767-V771 PolarHBondContact O-N 2.97Å; V771-L774 PolarHBondContact O-N 3.29Å; V771-N775 WeakPolarHBondContact O-CB 3.42Å; V771-N775 PolarHBondContact O-N 3.18Å
772L95.2Very high93.5Very high64 Ų6465.1 Ų65.134%0.33534%0.34SS..Hα-helixtrans-61.9-44.4176.6-70.5173.7000111.8K514 N768 L769 A770 L774 N775 E776K514-L772 HydrophobicContact CB-CD2 4.25Å; K514-L772 HydrophobicContact CG-CD2 4.13Å; K514-L772 HydrophobicContact CG-CG 4.48Å; N768-L772 WeakPolarHBondContact O-CG 3.2Å; N768-L772 PolarHBondContact O-N 2.78Å; L769-L772 PolarHBondContact O-N 2.89Å; A770-L772 VanDerWaalsContact C-N 3.33Å; A770-L772 PolarHBondContact O-N 3.46Å; L772-L774 PolarHBondContact O-N 3.38Å; L772-N775 WeakPolarHBondContact O-CB 3.33Å; L772-N775 PolarHBondContact O-N 2.95Å; L772-E776 WeakPolarHBondContact O-CG 3.49Å; L772-E776 PolarHBondContact O-N 3.02Å
773K95.2Very high93.8Very high102 Ų10261.1 Ų61.144%0.44331%0.311SS..Hα-helixtrans-62.4-41.6177.4-172.8168.9-177.5175.60112.5L769 A770 N775 E776 Q777L769-K773 PolarHBondContact O-N 3.43Å; A770-K773 PolarHBondContact O-N 3.18Å; A770-K773 VanDerWaalsContact O-N 3.17Å; K773-N775 VanDerWaalsContact C-N 3.27Å; K773-N775 PolarHBondContact O-N 2.95Å; K773-E776 PolarHBondContact O-N 3.18Å; K773-Q777 WeakPolarHBondContact O-CB 3.36Å; K773-Q777 VanDerWaalsContact O-CG 3.26Å; K773-Q777 WeakPolarHBondContact O-CG 3.42Å; K773-Q777 PolarHBondContact O-N 2.85Å
774L95.7Very high94.1Very high0 Ų062.9 Ų62.90%032%0.318CS..Hα-helixtrans-64.9-33.5176.3-65.8-178.6000112.2L449 E452 I453 A770 V771 L772 L779 L780L449-L774 HydrophobicContact CD1-CD1 3.89Å; E452-L774 HydrophobicContact CB-CD1 4.04Å; E452-L774 HydrophobicContact CB-CD2 4.16Å; I453-L774 HydrophobicContact CD1-CD1 3.77Å; I453-L774 HydrophobicContact CG1-CD1 4.35Å; A770-L774 VanDerWaalsContact O-CG 3.29Å; A770-L774 WeakPolarHBondContact O-CG 3.29Å; A770-L774 PolarHBondContact O-N 2.98Å; V771-L774 PolarHBondContact O-N 3.29Å; L772-L774 PolarHBondContact O-N 3.38Å; L774-L779 HydrophobicContact CD2-CB 4.46Å; L774-L779 HydrophobicContact CD2-CD2 3.64Å; L774-L779 PolarHBondContact O-N 3.39Å; L774-L780 HydrophobicContact CB-CD1 4.5Å; L774-L780 HydrophobicContact CB-CD2 4.08Å; L774-L780 HydrophobicContact CB-CG 4.03Å; L774-L780 HydrophobicContact CD1-CD2 4.49Å; L774-L780 PolarHBondContact O-N 3.12Å
775N93.8Very high94.2Very high85 Ų8561.8 Ų61.846%0.45532%0.32SS..Hα-helixtrans-70.4-49.4175.2-166.435.2000111.6V771 L772 K773 Q777 G778 L780V771-N775 WeakPolarHBondContact O-CB 3.42Å; V771-N775 PolarHBondContact O-N 3.18Å; L772-N775 WeakPolarHBondContact O-CB 3.33Å; L772-N775 PolarHBondContact O-N 2.95Å; K773-N775 VanDerWaalsContact C-N 3.27Å; K773-N775 PolarHBondContact O-N 2.95Å; N775-Q777 VanDerWaalsContact C-N 3.26Å; N775-Q777 PolarHBondContact O-N 2.83Å; N775-G778 PolarHBondContact O-N 3.16Å; N775-L780 HydrophobicContact CB-CD1 3.8Å
776E94.8Very high94.4Very high164 Ų16460.1 Ų60.177%0.76631%0.307SS*.Hα-helixtrans-60.9-33.5178.8-73.1174.2-176.800113L772 K773 G778L772-E776 WeakPolarHBondContact O-CG 3.49Å; L772-E776 PolarHBondContact O-N 3.02Å; K773-E776 PolarHBondContact O-N 3.18Å; E776-G778 VanDerWaalsContact C-N 3.25Å; E776-G778 PolarHBondContact O-N 2.95Å
777Q94.8Very high94.5Very high118 Ų11858.5 Ų58.555%0.55129%0.292SS*.THydrogen-bonded Turntrans-78.2-5.2176.6-70179.4-10.900113.8K773 N775 L779K773-Q777 WeakPolarHBondContact O-CB 3.36Å; K773-Q777 VanDerWaalsContact O-CG 3.26Å; K773-Q777 WeakPolarHBondContact O-CG 3.42Å; K773-Q777 PolarHBondContact O-N 2.85Å; N775-Q777 VanDerWaalsContact C-N 3.26Å; N775-Q777 PolarHBondContact O-N 2.83Å; Q777-L779 PolarHBondContact O-N 3.34Å
778G93.9Very high94.4Very high28 Ų2858.5 Ų58.529%0.28929%0.292SS..THydrogen-bonded Turntrans67.916.7-175.100000113.8N775 E776 K782N775-G778 PolarHBondContact O-N 3.16Å; E776-G778 VanDerWaalsContact C-N 3.25Å; E776-G778 PolarHBondContact O-N 2.95Å; G778-K782 PolarHBondContact O-N 2.99Å; G778-K782 VanDerWaalsContact O-N 3.09Å
779L94.3Very high94.2Very high35 Ų3561.6 Ų61.618%0.18330%0.301CS..Hα-helixtrans-71.8-36.1-179.4-163.974000111.2E452 L774 Q777 D781 K782 L783E452-L779 HydrophobicContact CB-CD2 4.3Å; E452-L779 HydrophobicContact CG-CD2 3.6Å; L774-L779 HydrophobicContact CD2-CB 4.46Å; L774-L779 HydrophobicContact CD2-CD2 3.64Å; L774-L779 PolarHBondContact O-N 3.39Å; Q777-L779 PolarHBondContact O-N 3.34Å; L779-D781 VanDerWaalsContact C-N 3.34Å; L779-D781 PolarHBondContact O-N 3.03Å; L779-K782 HydrophobicContact CD1-CD 4.29Å; L779-K782 WeakPolarHBondContact O-CB 3.37Å; L779-K782 PolarHBondContact O-N 3.47Å; L779-L783 WeakPolarHBondContact O-CB 3.14Å; L779-L783 WeakPolarHBondContact O-CG 3.38Å; L779-L783 PolarHBondContact O-N 3.09Å
780L94.4Very high94Very high5 Ų561.9 Ų61.93%0.02630%0.303CS..Hα-helixtrans-61.7-42.5175.9-61.7179.5000111.6L449 F516 L774 N775 L783 K784L449-L780 HydrophobicContact CD1-CD2 3.84Å; F516-L780 HydrophobicContact CB-CD1 3.98Å; L774-L780 HydrophobicContact CB-CD1 4.5Å; L774-L780 HydrophobicContact CB-CD2 4.08Å; L774-L780 HydrophobicContact CB-CG 4.03Å; L774-L780 HydrophobicContact CD1-CD2 4.49Å; L774-L780 PolarHBondContact O-N 3.12Å; N775-L780 HydrophobicContact CB-CD1 3.8Å; L780-L783 PolarHBondContact O-N 3.39Å; L780-K784 WeakPolarHBondContact O-CB 3.42Å; L780-K784 PolarHBondContact O-N 2.7Å
781D93.1Very high93.5Very high97 Ų9766.1 Ų66.152%0.51932%0.321SS..Hα-helixtrans-65.5-41.7175.5-69.9-32.5000111.8L779 L783 K784 N785L779-D781 VanDerWaalsContact C-N 3.34Å; L779-D781 PolarHBondContact O-N 3.03Å; D781-L783 VanDerWaalsContact C-N 3.34Å; D781-L783 PolarHBondContact O-N 3Å; D781-K784 PolarHBondContact O-N 3.26Å; D781-N785 PolarHBondContact O-N 3.33Å; D781-N785 PolarHBondContact O-ND2 3.02Å
782K95.3Very high92.9Very high146 Ų14667.2 Ų67.264%0.63533%0.332SS*.Hα-helixtrans-59.6-44.2173.9-174.2179.8-179.4179.20111.8G778 L779 N785 K786G778-K782 PolarHBondContact O-N 2.99Å; G778-K782 VanDerWaalsContact O-N 3.09Å; L779-K782 HydrophobicContact CD1-CD 4.29Å; L779-K782 WeakPolarHBondContact O-CB 3.37Å; L779-K782 PolarHBondContact O-N 3.47Å; K782-N785 PolarHBondContact O-N 3.04Å; K782-K786 WeakPolarHBondContact O-CB 3.36Å; K782-K786 PolarHBondContact O-N 3.31Å
783L95Very high92.5Very high14 Ų1468 Ų687%0.07333%0.334CS..Hα-helixtrans-67.4-39.3177.1-71.9176.8000111.8Y445 D448 L779 L780 D781 K786 W787Y445-L783 HydrophobicContact CD2-CB 3.86Å; Y445-L783 HydrophobicContact CE2-CB 3.56Å; D448-L783 HydrophobicContact CB-CD1 4.33Å; D448-L783 HydrophobicContact CB-CD2 3.73Å; L779-L783 WeakPolarHBondContact O-CB 3.14Å; L779-L783 WeakPolarHBondContact O-CG 3.38Å; L779-L783 PolarHBondContact O-N 3.09Å; L780-L783 PolarHBondContact O-N 3.39Å; D781-L783 VanDerWaalsContact C-N 3.34Å; D781-L783 PolarHBondContact O-N 3Å; L783-K786 HydrophobicContact CD2-CD 4.47Å; L783-K786 PolarHBondContact O-N 2.88Å; L783-W787 VanDerWaalsContact O-CD1 3.26Å; L783-W787 PolarHBondContact O-N 3.04Å; L783-W787 VanDerWaalsContact O-N 3.16Å
784K93.7Very high91.7Very high48 Ų4863.6 Ų63.621%0.20932%0.316CS..Hα-helixtrans-61.1-47.8175.3-175.5-178.7175.5-175.70110.4Y445 M517 L780 D781 K786 W787 W788Y445-K784 HydrophobicContact CE2-CB 4.4Å; M517-K784 HydrophobicContact CE-CB 4.41Å; M517-K784 HydrophobicContact CE-CD 4.38Å; M517-K784 HydrophobicContact CE-CG 4.24Å; L780-K784 WeakPolarHBondContact O-CB 3.42Å; L780-K784 PolarHBondContact O-N 2.7Å; D781-K784 PolarHBondContact O-N 3.26Å; K784-K786 VanDerWaalsContact C-N 3.35Å; K784-K786 PolarHBondContact O-N 2.88Å; K784-W787 PolarHBondContact O-N 3.38Å; K784-W788 HydrophobicContact CG-CD2 4.4Å; K784-W788 HydrophobicContact CG-CE3 4.14Å; K784-W788 WeakPolarHBondContact O-CB 3.37Å; K784-W788 PolarHBondContact O-N 3.09Å
785N92.9Very high90.2Very high73 Ų7365.6 Ų65.639%0.3934%0.336SS..Hα-helixtrans-60.8-43.9178.4-70.3-18.6000112.2D781 K782 W787 Y789 D790D781-N785 PolarHBondContact O-N 3.33Å; D781-N785 PolarHBondContact O-ND2 3.02Å; K782-N785 PolarHBondContact O-N 3.04Å; N785-W787 VanDerWaalsContact C-N 3.34Å; N785-W787 PolarHBondContact O-N 3.08Å; N785-Y789 HydrophobicContact CB-CD2 4.43Å; N785-Y789 PolarHBondContact O-N 3.45Å; N785-Y789 WeakPolarHBondContact OD1-CD2 3.26Å; N785-D790 PolarHBondContact O-N 3.12Å
786K94.5Very high88.2Confident78 Ų7867.6 Ų67.634%0.33936%0.357SS..Iπ-helixtrans-54.2-46.6176.6-179.7-174.9176.2-169.30113.1D448 K782 L783 K784 D790 K791D448-K786 IonicContact OD1-NZ 3.4Å; D448-K786 IonicContact OD2-NZ 3.75Å; D448-K786 PolarHBondContact OD2-NZ 3.29Å; K782-K786 WeakPolarHBondContact O-CB 3.36Å; K782-K786 PolarHBondContact O-N 3.31Å; L783-K786 HydrophobicContact CD2-CD 4.47Å; L783-K786 PolarHBondContact O-N 2.88Å; K784-K786 VanDerWaalsContact C-N 3.35Å; K784-K786 PolarHBondContact O-N 2.88Å; K786-D790 WeakPolarHBondContact CA-OD2 3.48Å; K786-K791 WeakPolarHBondContact O-CG 3.09Å; K786-K791 PolarHBondContact O-N 3.28Å
787W94.5Very high86.1Confident9 Ų963.6 Ų63.63%0.03436%0.36CS..Iπ-helixtrans-92.5-20.5-171.2-72106.1000114.5P425 M428 E443 G444 D448 L783 K784 N785 K791P425-W787 HydrophobicContact CB-CB 4.25Å; P425-W787 HydrophobicContact CB-CE3 4.5Å; P425-W787 HydrophobicContact CG-CB 4.46Å; M428-W787 HydrophobicContact CE-CE3 3.97Å; M428-W787 HydrophobicContact CE-CZ3 3.53Å; E443-W787 HydrophobicContact CB-CH2 4.08Å; E443-W787 HydrophobicContact CG-CH2 4.36Å; G444-W787 VanDerWaalsContact CA-CH2 3.45Å; G444-W787 VanDerWaalsContact CA-CZ2 3.45Å; G444-W787 VanDerWaalsContact N-CH2 3.28Å; D448-W787 PolarHBondContact OD2-NE1 3.21Å; L783-W787 VanDerWaalsContact O-CD1 3.26Å; L783-W787 PolarHBondContact O-N 3.04Å; L783-W787 VanDerWaalsContact O-N 3.16Å; K784-W787 PolarHBondContact O-N 3.38Å; N785-W787 VanDerWaalsContact C-N 3.34Å; N785-W787 PolarHBondContact O-N 3.08Å; W787-K791 HydrophobicContact CE3-CD 3.9Å; W787-K791 HydrophobicContact CZ3-CD 3.98Å
788W92.4Very high83.7Confident1 Ų159.1 Ų59.10%0.00435%0.346CS..Iπ-helixtrans-101.4-46.5178.3-83.8-107.1000113.8P425 Y426 Y445 M517 T728 K784P425-W788 HydrophobicContact CG-CD2 4.02Å; P425-W788 HydrophobicContact CG-CE3 4.02Å; P425-W788 HydrophobicContact CG-CH2 3.73Å; P425-W788 HydrophobicContact CG-CZ2 3.71Å; P425-W788 HydrophobicContact CG-CZ3 3.89Å; Y426-W788 AromaticContact CD1-CH2 3.98Å; Y426-W788 HydrophobicContact CD1-CH2 3.98Å; Y426-W788 AromaticContact CE1-CH2 3.53Å; Y426-W788 HydrophobicContact CE1-CH2 3.53Å; Y426-W788 AromaticContact CE1-CZ2 3.78Å; Y426-W788 HydrophobicContact CE1-CZ2 3.78Å; Y426-W788 AromaticContact CZ-CZ2 3.88Å; Y445-W788 HydrophobicContact CD2-CH2 4.37Å; Y445-W788 AromaticContact CD2-CZ3 3.63Å; Y445-W788 HydrophobicContact CD2-CZ3 3.63Å; Y445-W788 HydrophobicContact CE2-CZ3 4.36Å; Y445-W788 HydrophobicContact CG-CH2 4.2Å; Y445-W788 AromaticContact CG-CZ3 3.82Å; Y445-W788 HydrophobicContact CG-CZ3 3.82Å; M517-W788 HydrophobicContact CE-CH2 4.01Å; M517-W788 HydrophobicContact CE-CZ3 4.24Å; M517-W788 HydrophobicContact SD-CH2 4.39Å; T728-W788 PolarHBondContact O-NE1 3.36Å; K784-W788 HydrophobicContact CG-CD2 4.4Å; K784-W788 HydrophobicContact CG-CE3 4.14Å; K784-W788 WeakPolarHBondContact O-CB 3.37Å; K784-W788 PolarHBondContact O-N 3.09Å
789Y89.5Confident81.3Confident100 Ų10060.9 Ų60.939%0.39236%0.363SS..Iπ-helixtrans-105.8-45.8-169.1-54.1-59.4000112.6N785 K791 G792N785-Y789 HydrophobicContact CB-CD2 4.43Å; N785-Y789 PolarHBondContact O-N 3.45Å; N785-Y789 WeakPolarHBondContact OD1-CD2 3.26Å; Y789-K791 VanDerWaalsContact C-N 3.3Å; Y789-K791 PolarHBondContact O-N 3.38Å; Y789-G792 WeakPolarHBondContact O-CA 3.3Å; Y789-G792 PolarHBondContact O-N 3.14Å
790D89.8Confident79.2Confident124 Ų12463.6 Ų63.666%0.66338%0.378SS*.Iπ-helixtrans-66.4-35.6-177.9-61.9-14.5000111.8N785 K786 G792N785-D790 PolarHBondContact O-N 3.12Å; K786-D790 WeakPolarHBondContact CA-OD2 3.48Å; D790-G792 VanDerWaalsContact C-N 3.31Å
791K86.3Confident76.9Confident96 Ų9669 Ų6942%0.41742%0.417SS..THydrogen-bonded Turntrans-9111.2172-70-174176-1730113.1K786 W787 Y789K786-K791 WeakPolarHBondContact O-CG 3.09Å; K786-K791 PolarHBondContact O-N 3.28Å; W787-K791 HydrophobicContact CE3-CD 3.9Å; W787-K791 HydrophobicContact CZ3-CD 3.98Å; Y789-K791 VanDerWaalsContact C-N 3.3Å; Y789-K791 PolarHBondContact O-N 3.38Å
792G81.6Confident74.8Confident24 Ų2473 Ų7325%0.24743%0.429CS..  trans-66.2132.7177.400000111.3Y789 D790Y789-G792 WeakPolarHBondContact O-CA 3.3Å; Y789-G792 PolarHBondContact O-N 3.14Å; D790-G792 VanDerWaalsContact C-N 3.31Å
793E86.8Confident72.6Confident82 Ų8275.2 Ų75.238%0.38344%0.442SS..SBendtrans-94-12-178.3-65178.5179.900112.8Q735 R736 K737Q735-E793 PolarHBondContact O-N 3.17Å; R736-E793 VanDerWaalsContact CZ-CD 3.41Å; R736-E793 IonicContact CZ-OE1 3.52Å; R736-E793 IonicContact CZ-OE2 3.62Å; R736-E793 IonicContact NH1-OE1 3.77Å; R736-E793 PolarHBondContact NH1-OE1 3.45Å; R736-E793 IonicContact NH1-OE2 2.76Å; R736-E793 IonicContact NH2-OE1 3.32Å; R736-E793 PolarHBondContact NH2-OE1 2.8Å; R736-E793 IonicContact NH2-OE2 3.7Å; K737-E793 HydrophobicContact CD-CB 4.29Å; K737-E793 HydrophobicContact CG-CB 3.94Å
794C78.7Confident70.6Confident8 Ų883.2 Ų83.25%0.05448%0.476CS..SBendtrans-96.43-171.4-72.20000115.3E734 Q735 R736 C739 G799E734-C794 PolarHBondContact O-SG 3.41Å; Q735-C794 PolarHBondContact O-N 3.1Å; Q735-C794 PolarHBondContact O-SG 3.34Å; R736-C794 PolarHBondContact O-SG 2.97Å; C739-C794 VanDerWaalsContact CA-SG 3.55Å; C739-C794 HydrophobicContact CB-CB 3.88Å; C739-C794 WeakPolarHBondContact CB-SG 3.48Å; C739-C794 WeakPolarHBondContact SG-CA 3.2Å; C739-C794 WeakPolarHBondContact SG-CB 3.4Å; C739-C794 CovalentContact SG-SG 2.02Å; C739-C794 PolarHBondContact SG-SG 3.02Å; C794-G799 PolarHBondContact O-N 3.18Å
795G63.4Low68.7Low42 Ų4287.3 Ų87.343%0.43351%0.505SS..THydrogen-bonded Turntrans67.1144.2-177.900000113.1G797 G798G795-G797 PolarHBondContact O-N 3.15Å; G795-G798 PolarHBondContact O-N 3.47Å
796S53.3Low67Low128 Ų12888 Ų8890%0.89552%0.515SS*.THydrogen-bonded Turntrans-58.1106.1169.2-79.40000109.4
797G50.8Low65.6Low79 Ų7988.7 Ų88.781%0.81454%0.536SS*.THydrogen-bonded Turntrans98.817.9178.500000116G795G795-G797 PolarHBondContact O-N 3.15Å
798G44.7Very low64.3Low25 Ų2593.2 Ų93.226%0.25856%0.561SS.*THydrogen-bonded Turntrans6772.3166.300000113.7G795 D800G795-G798 PolarHBondContact O-N 3.47Å; G798-D800 PolarHBondContact O-N 3.34Å
799G42.1Very low63.2Low64 Ų6496 Ų9666%0.6658%0.58SS**THydrogen-bonded Turntrans56.2-4.215700000120.1C794C794-G799 PolarHBondContact O-N 3.18Å
800D49.7Very low62.7Low93 Ų9397.3 Ų97.350%0.49759%0.593SS.*  trans-110.16.8-169-86.81.9000112.6K530 G798 K802K530-D800 IonicContact NZ-OD2 2.81Å; K530-D800 PolarHBondContact NZ-OD2 3.3Å; G798-D800 PolarHBondContact O-N 3.34Å; D800-K802 CarbonylContact O-C 3.56Å; D800-K802 PolarHBondContact O-N 2.95Å
801S47.1Very low62Low119 Ų11993.3 Ų93.383%0.83258%0.575SS**  trans-70.82.1175.959.60000114.7
802K49.4Very low61.4Low181 Ų18189.9 Ų89.979%0.78756%0.561SS**SBendtrans-105.5103.3158.6-74.4-172.4176.7-175.20107.3D800 K804D800-K802 CarbonylContact O-C 3.56Å; D800-K802 PolarHBondContact O-N 2.95Å; K802-K804 VanDerWaalsContact C-N 3.26Å; K802-K804 PolarHBondContact O-N 3.49Å
803E48.3Very low61.3Low191 Ų19191 Ų9189%0.89356%0.563SS**  trans-46.289.9168-69.5-178.7157.200109.9T805E803-T805 PolarHBondContact O-N 3.21Å; E803-T805 VanDerWaalsContact O-N 3.17Å
804K52.7Low61.2Low183 Ų18387.9 Ų87.980%0.79655%0.551SS**  trans-75.4103.1161.5-72.1-178.7-178.3174.50103.9K802 S806K802-K804 VanDerWaalsContact C-N 3.26Å; K802-K804 PolarHBondContact O-N 3.49Å; K804-S806 PolarHBondContact O-N 3.43Å
805T54.7Low61.6Low134 Ų13487.5 Ų87.582%0.82255%0.549SS*.  trans-39.7108.6170.248.10000108.8E803 A807E803-T805 PolarHBondContact O-N 3.21Å; E803-T805 VanDerWaalsContact O-N 3.17Å; T805-A807 PolarHBondContact O-N 2.87Å
806S56.3Low62.8Low86 Ų8688.8 Ų88.860%0.60155%0.548SS*.  trans-60.9109.3-178.2-620000108.4K804K804-S806 PolarHBondContact O-N 3.43Å
807A65.1Low64.5Low94 Ų9488 Ų8878%0.77753%0.529SS*.PPolyproline II helixtrans-73131174.500000109T805 S809T805-A807 PolarHBondContact O-N 2.87Å; A807-S809 PolarHBondContact O-N 3.23Å; A807-S809 VanDerWaalsContact O-N 3.17Å
808L67.6Low66.5Low104 Ų10491.5 Ų91.555%0.54552%0.518SS..PPolyproline II helixtrans-64.3116.5173.2-167.377.2000108.9L645 N812 V813L645-L808 HydrophobicContact CD1-CD1 4.32Å; L645-L808 HydrophobicContact CD2-CD1 3.48Å; L645-L808 VanDerWaalsContact CD2-CD1 3.48Å; L808-N812 HydrophobicContact CD1-CB 4.25Å; L808-V813 HydrophobicContact CD2-CG2 3.78Å; L808-V813 HydrophobicContact CG-CG2 4.42Å
809S69.9Low68.8Low58 Ų5894.9 Ų94.941%0.40653%0.529SS..PPolyproline II helixtrans-76.8144.6176.7173.90000110.6A807 S811 N812A807-S809 PolarHBondContact O-N 3.23Å; A807-S809 VanDerWaalsContact O-N 3.17Å; S809-S811 VanDerWaalsContact CB-OG 3.28Å; S809-S811 WeakPolarHBondContact CB-OG 3.36Å; S809-S811 PolarHBondContact O-N 3.18Å; S809-S811 VanDerWaalsContact O-N 3.07Å; S809-S811 PolarHBondContact OG-N 3.49Å; S809-S811 PolarHBondContact OG-OG 2.99Å; S809-N812 WeakPolarHBondContact O-CB 3.17Å; S809-N812 PolarHBondContact O-N 2.94Å
810L79.4Confident71.2Confident128 Ų12896.6 Ų96.667%0.6752%0.523SS*.Hα-helixtrans-53.7-28.8171-177.364.5000111.7N812 V813 A814 F817L810-N812 PolarHBondContact O-N 2.96Å; L810-V813 PolarHBondContact O-N 3.27Å; L810-V813 VanDerWaalsContact O-N 3.13Å; L810-A814 WeakPolarHBondContact O-CB 3.28Å; L810-A814 PolarHBondContact O-N 3Å; L810-F817 HydrophobicContact CD1-CE2 4.22Å
811S73.7Confident73.3Confident40 Ų4097 Ų9728%0.2853%0.528SS..Hα-helixtrans-57.7-32.2175.6570000113.6S809 V813S809-S811 VanDerWaalsContact CB-OG 3.28Å; S809-S811 WeakPolarHBondContact CB-OG 3.36Å; S809-S811 PolarHBondContact O-N 3.18Å; S809-S811 VanDerWaalsContact O-N 3.07Å; S809-S811 PolarHBondContact OG-N 3.49Å; S809-S811 PolarHBondContact OG-OG 2.99Å; S811-V813 VanDerWaalsContact C-N 3.3Å
812N73.4Confident75.6Confident24 Ų2493.5 Ų93.513%0.12851%0.511CS..Hα-helixtrans-74.1-27.3-178-59.96.8000111.2P533 L808 S809 L810P533-N812 WeakPolarHBondContact CD-OD1 3.46Å; P533-N812 VanDerWaalsContact CG-OD1 3.26Å; P533-N812 WeakPolarHBondContact CG-OD1 3.42Å; L808-N812 HydrophobicContact CD1-CB 4.25Å; S809-N812 WeakPolarHBondContact O-CB 3.17Å; S809-N812 PolarHBondContact O-N 2.94Å; L810-N812 PolarHBondContact O-N 2.96Å
813V80.2Confident77.8Confident48 Ų4886.7 Ų86.729%0.29149%0.492SS..Hα-helixtrans-104.2-10.8-177-167.20000111.8L808 L810 S811 G815 V816 F817L808-V813 HydrophobicContact CD2-CG2 3.78Å; L808-V813 HydrophobicContact CG-CG2 4.42Å; L810-V813 PolarHBondContact O-N 3.27Å; L810-V813 VanDerWaalsContact O-N 3.13Å; S811-V813 VanDerWaalsContact C-N 3.3Å; V813-G815 PolarHBondContact O-N 2.92Å; V813-G815 VanDerWaalsContact O-N 3.15Å; V813-V816 HydrophobicContact CG1-CB 4.22Å; V813-V816 HydrophobicContact CG1-CG2 4.27Å; V813-V816 WeakPolarHBondContact O-CB 3.29Å; V813-V816 PolarHBondContact O-N 3.17Å; V813-F817 HydrophobicContact CB-CE2 4.43Å; V813-F817 HydrophobicContact CG1-CD2 4.19Å; V813-F817 HydrophobicContact CG1-CE2 3.83Å; V813-F817 WeakPolarHBondContact O-CD2 3.24Å; V813-F817 PolarHBondContact O-N 2.92Å
814A84.6Confident80Confident17 Ų1782.8 Ų82.814%0.1448%0.477CS..Hα-helixtrans-54.2-38.3-176.600000113L810 V816 F817 Y818L810-A814 WeakPolarHBondContact O-CB 3.28Å; L810-A814 PolarHBondContact O-N 3Å; A814-V816 VanDerWaalsContact C-N 3.29Å; A814-V816 PolarHBondContact O-N 2.91Å; A814-F817 PolarHBondContact O-N 2.84Å; A814-Y818 HydrophobicContact CB-CE2 4.24Å; A814-Y818 WeakPolarHBondContact O-CD2 3.41Å; A814-Y818 PolarHBondContact O-N 2.69Å
815G86.6Confident82Confident0 Ų076 Ų760%046%0.459CS..Hα-helixtrans-62.6-33.8177.200000113.8V535 V813 Y818 I819V535-G815 VanDerWaalsContact CG1-CA 3.42Å; V535-G815 VanDerWaalsContact O-CA 3.28Å; V535-G815 WeakPolarHBondContact O-CA 3.47Å; V535-G815 PolarHBondContact O-N 3.33Å; V813-G815 PolarHBondContact O-N 2.92Å; V813-G815 VanDerWaalsContact O-N 3.15Å; G815-Y818 PolarHBondContact O-N 3.02Å; G815-I819 WeakPolarHBondContact O-CG1 3.42Å; G815-I819 PolarHBondContact O-N 3.03Å
816V89.2Confident83.9Confident69 Ų6974.8 Ų74.842%0.41845%0.447SS..Hα-helixtrans-65.5-42176.3-1740000110.3F538 V813 A814 I819 L820F538-V816 HydrophobicContact CD1-CG2 3.87Å; F538-V816 HydrophobicContact CD2-CG2 4.41Å; F538-V816 HydrophobicContact CE1-CG2 4.12Å; F538-V816 HydrophobicContact CG-CG2 4.04Å; V813-V816 HydrophobicContact CG1-CB 4.22Å; V813-V816 HydrophobicContact CG1-CG2 4.27Å; V813-V816 WeakPolarHBondContact O-CB 3.29Å; V813-V816 PolarHBondContact O-N 3.17Å; A814-V816 VanDerWaalsContact C-N 3.29Å; A814-V816 PolarHBondContact O-N 2.91Å; V816-I819 PolarHBondContact O-N 2.96Å; V816-L820 WeakPolarHBondContact O-CB 3.37Å; V816-L820 PolarHBondContact O-N 2.83Å
817F90Very high85.8Confident111 Ų11173.5 Ų73.549%0.48744%0.442SS..Hα-helixtrans-64.9-39.5174.9-73.6-79.9000112.4L810 V813 A814 L820 V821L810-F817 HydrophobicContact CD1-CE2 4.22Å; V813-F817 HydrophobicContact CB-CE2 4.43Å; V813-F817 HydrophobicContact CG1-CD2 4.19Å; V813-F817 HydrophobicContact CG1-CE2 3.83Å; V813-F817 WeakPolarHBondContact O-CD2 3.24Å; V813-F817 PolarHBondContact O-N 2.92Å; A814-F817 PolarHBondContact O-N 2.84Å; F817-L820 PolarHBondContact O-N 3.07Å; F817-V821 WeakPolarHBondContact O-CG2 3.16Å; F817-V821 PolarHBondContact O-N 3.43Å
818Y91.4Very high87.1Confident152 Ų15275.1 Ų75.160%0.59644%0.435SS*.Hα-helixtrans-63.3-41.2175.8-62.7-35.4000112.2V535 A814 G815 G822V535-Y818 HydrophobicContact CG1-CD2 3.67Å; V535-Y818 HydrophobicContact CG1-CE2 3.75Å; A814-Y818 HydrophobicContact CB-CE2 4.24Å; A814-Y818 WeakPolarHBondContact O-CD2 3.41Å; A814-Y818 PolarHBondContact O-N 2.69Å; G815-Y818 PolarHBondContact O-N 3.02Å; Y818-G822 PolarHBondContact O-N 3.28Å
819I92.3Very high88.4Confident96 Ų9674.6 Ų74.649%0.49243%0.432SS..Hα-helixtrans-65.1-42.9175.6-68.4170000110.8F538 G815 V816 G822 G823F538-I819 HydrophobicContact CE1-CD1 4.48Å; F538-I819 HydrophobicContact CE2-CD1 4.33Å; F538-I819 HydrophobicContact CZ-CD1 3.59Å; G815-I819 WeakPolarHBondContact O-CG1 3.42Å; G815-I819 PolarHBondContact O-N 3.03Å; V816-I819 PolarHBondContact O-N 2.96Å; I819-G822 PolarHBondContact O-N 3.18Å; I819-G823 PolarHBondContact O-N 3.14Å
820L92.8Very high89.6Confident101 Ų10174.9 Ų74.953%0.52943%0.432SS..Hα-helixtrans-60.4-51.3177.617864.2000111.9V816 F817 G822 G823 L824V816-L820 WeakPolarHBondContact O-CB 3.37Å; V816-L820 PolarHBondContact O-N 2.83Å; F817-L820 PolarHBondContact O-N 3.07Å; L820-G822 VanDerWaalsContact C-N 3.35Å; L820-G822 PolarHBondContact O-N 3.49Å; L820-G823 PolarHBondContact O-N 2.85Å; L820-L824 HydrophobicContact CG-CD1 4.47Å; L820-L824 WeakPolarHBondContact O-CG 3.4Å; L820-L824 PolarHBondContact O-N 2.94Å
821V94.5Very high90.2Very high100 Ų10071.4 Ų71.461%0.60642%0.421SS*.Hα-helixtrans-64.5-41.4179.71740000110.9F817 G823 L824 G825F817-V821 WeakPolarHBondContact O-CG2 3.16Å; F817-V821 PolarHBondContact O-N 3.43Å; V821-G823 VanDerWaalsContact C-N 3.32Å; V821-G823 PolarHBondContact O-N 3.47Å; V821-L824 PolarHBondContact O-N 2.93Å; V821-G825 PolarHBondContact O-N 3.5Å
822G95.1Very high91.1Very high46 Ų4674.2 Ų74.247%0.47443%0.433SS..Hα-helixtrans-59.7-42.5173.500000112.3Y818 I819 L820 G825 L826Y818-G822 PolarHBondContact O-N 3.28Å; I819-G822 PolarHBondContact O-N 3.18Å; L820-G822 VanDerWaalsContact C-N 3.35Å; L820-G822 PolarHBondContact O-N 3.49Å; G822-G825 PolarHBondContact O-N 3.12Å; G822-L826 WeakPolarHBondContact O-CB 3.32Å; G822-L826 PolarHBondContact O-N 3.45Å
823G95Very high92.1Very high38 Ų3876.8 Ų76.839%0.39245%0.446SS..Hα-helixtrans-64.2-43.2176.300000113.2I819 L820 V821 L826 A827I819-G823 PolarHBondContact O-N 3.14Å; L820-G823 PolarHBondContact O-N 2.85Å; V821-G823 VanDerWaalsContact C-N 3.32Å; V821-G823 PolarHBondContact O-N 3.47Å; G823-L826 PolarHBondContact O-N 3.01Å; G823-A827 WeakPolarHBondContact O-CB 3.36Å; G823-A827 PolarHBondContact O-N 3.09Å
824L95.6Very high92.7Very high109 Ų10980.6 Ų80.657%0.57146%0.46SS*.Hα-helixtrans-63.1-42.9174.4-70.3173.7000111.9L820 V821 L826 A827 M828L820-L824 HydrophobicContact CG-CD1 4.47Å; L820-L824 WeakPolarHBondContact O-CG 3.4Å; L820-L824 PolarHBondContact O-N 2.94Å; V821-L824 PolarHBondContact O-N 2.93Å; L824-L826 VanDerWaalsContact C-N 3.35Å; L824-A827 PolarHBondContact O-N 3.26Å; L824-M828 WeakPolarHBondContact O-CB 3.5Å; L824-M828 PolarHBondContact O-N 3.47Å
825G94.7Very high93Very high41 Ų4186.8 Ų86.842%0.42348%0.484SS..Hα-helixtrans-62-42.2175.400000112.2V821 G822 L829V821-G825 PolarHBondContact O-N 3.5Å; G822-G825 PolarHBondContact O-N 3.12Å; G825-L829 WeakPolarHBondContact O-CB 3.45Å; G825-L829 PolarHBondContact O-N 2.9Å
826L95.1Very high93.1Very high109 Ų10990 Ų9057%0.57151%0.506SS*.Hα-helixtrans-65.9-44.4176.1-176.463.2000111.7G822 G823 L824 M828 L829 V830G822-L826 WeakPolarHBondContact O-CB 3.32Å; G822-L826 PolarHBondContact O-N 3.45Å; G823-L826 PolarHBondContact O-N 3.01Å; L824-L826 VanDerWaalsContact C-N 3.35Å; L826-M828 PolarHBondContact O-N 3.36Å; L826-L829 WeakPolarHBondContact O-CB 3.4Å; L826-L829 PolarHBondContact O-N 3.03Å; L826-V830 HydrophobicContact CD1-CG2 4.48Å; L826-V830 VanDerWaalsContact O-CG2 3.31Å; L826-V830 WeakPolarHBondContact O-CG2 3.47Å; L826-V830 PolarHBondContact O-N 2.85Å
827A94.7Very high93.2Very high59 Ų5994.9 Ų94.949%0.48852%0.518SS..Hα-helixtrans-61.5-44.1176.900000111.8G823 L824 L829 V830 A831G823-A827 WeakPolarHBondContact O-CB 3.36Å; G823-A827 PolarHBondContact O-N 3.09Å; L824-A827 PolarHBondContact O-N 3.26Å; A827-L829 VanDerWaalsContact C-N 3.35Å; A827-L829 PolarHBondContact O-N 2.91Å; A827-V830 PolarHBondContact O-N 3.06Å; A827-A831 WeakPolarHBondContact O-CB 3.25Å; A827-A831 PolarHBondContact O-N 3.02Å
828M94Very high93.2Very high127 Ų12796 Ų9663%0.62652%0.522SS*.Hα-helixtrans-62.5-42175.3-171.6-174.4-62.200111.6L824 L826 A831 L832L824-M828 WeakPolarHBondContact O-CB 3.5Å; L824-M828 PolarHBondContact O-N 3.47Å; L826-M828 PolarHBondContact O-N 3.36Å; M828-A831 PolarHBondContact O-N 2.84Å; M828-L832 HydrophobicContact CG-CD1 4.35Å; M828-L832 WeakPolarHBondContact O-CB 3.46Å; M828-L832 VanDerWaalsContact O-CG 3.28Å; M828-L832 WeakPolarHBondContact O-CG 3.42Å; M828-L832 PolarHBondContact O-N 3.18Å
829L94Very high92.9Very high93 Ų9391.5 Ų91.549%0.48751%0.514SS..Hα-helixtrans-62-46.5176.2179.464.3000111.5G825 L826 A827 L832 I833G825-L829 WeakPolarHBondContact O-CB 3.45Å; G825-L829 PolarHBondContact O-N 2.9Å; L826-L829 WeakPolarHBondContact O-CB 3.4Å; L826-L829 PolarHBondContact O-N 3.03Å; A827-L829 VanDerWaalsContact C-N 3.35Å; A827-L829 PolarHBondContact O-N 2.91Å; L829-L832 PolarHBondContact O-N 2.87Å; L829-I833 HydrophobicContact CD1-CD1 4.04Å; L829-I833 HydrophobicContact CD1-CG1 4.38Å; L829-I833 HydrophobicContact CG-CD1 3.83Å; L829-I833 WeakPolarHBondContact O-CB 3.21Å; L829-I833 WeakPolarHBondContact O-CD1 3.45Å; L829-I833 WeakPolarHBondContact O-CG1 3.25Å; L829-I833 PolarHBondContact O-N 2.71Å
830V94.4Very high92.7Very high65 Ų6595.9 Ų95.939%0.39452%0.524SS..Hα-helixtrans-61.7-45.7177.5173.20000110.6L826 A827 L832 I833 E834L826-V830 HydrophobicContact CD1-CG2 4.48Å; L826-V830 VanDerWaalsContact O-CG2 3.31Å; L826-V830 WeakPolarHBondContact O-CG2 3.47Å; L826-V830 PolarHBondContact O-N 2.85Å; A827-V830 PolarHBondContact O-N 3.06Å; V830-L832 VanDerWaalsContact C-N 3.34Å; V830-L832 PolarHBondContact O-N 2.72Å; V830-I833 PolarHBondContact O-N 2.8Å; V830-E834 HydrophobicContact CG1-CG 4.4Å; V830-E834 WeakPolarHBondContact O-CG 3.41Å; V830-E834 PolarHBondContact O-N 2.84Å
831A93.1Very high92.2Very high55 Ų5593.5 Ų93.546%0.45552%0.519SS..Hα-helixtrans-60.3-41.317700000112.5A827 M828 E834 F835A827-A831 WeakPolarHBondContact O-CB 3.25Å; A827-A831 PolarHBondContact O-N 3.02Å; M828-A831 PolarHBondContact O-N 2.84Å; A831-E834 PolarHBondContact O-N 2.79Å; A831-F835 VanDerWaalsContact O-CB 3.27Å; A831-F835 WeakPolarHBondContact O-CB 3.32Å; A831-F835 PolarHBondContact O-N 3.05Å
832L92.9Very high91.7Very high99 Ų9992.8 Ų92.852%0.51851%0.509SS..Hα-helixtrans-65.1-41.4175.4-73.8172.5000112M828 L829 V830 F835 C836M828-L832 HydrophobicContact CG-CD1 4.35Å; M828-L832 WeakPolarHBondContact O-CB 3.46Å; M828-L832 VanDerWaalsContact O-CG 3.28Å; M828-L832 WeakPolarHBondContact O-CG 3.42Å; M828-L832 PolarHBondContact O-N 3.18Å; L829-L832 PolarHBondContact O-N 2.87Å; V830-L832 VanDerWaalsContact C-N 3.34Å; V830-L832 PolarHBondContact O-N 2.72Å; L832-F835 PolarHBondContact O-N 3.33Å; L832-C836 WeakPolarHBondContact O-CB 3.38Å; L832-C836 PolarHBondContact O-N 2.86Å; L832-C836 PolarHBondContact O-SG 3.35Å
833I93.2Very high90.9Very high78 Ų7892.7 Ų92.740%0.450%0.504SS..Hα-helixtrans-63.1-49.3176.3-69.6166.4000109.9L829 V830 F835 C836 Y837L829-I833 HydrophobicContact CD1-CD1 4.04Å; L829-I833 HydrophobicContact CD1-CG1 4.38Å; L829-I833 HydrophobicContact CG-CD1 3.83Å; L829-I833 WeakPolarHBondContact O-CB 3.21Å; L829-I833 WeakPolarHBondContact O-CD1 3.45Å; L829-I833 WeakPolarHBondContact O-CG1 3.25Å; L829-I833 PolarHBondContact O-N 2.71Å; V830-I833 PolarHBondContact O-N 2.8Å; I833-F835 PolarHBondContact O-N 2.9Å; I833-C836 PolarHBondContact O-N 3.27Å; I833-Y837 HydrophobicContact CG2-CD2 3.53Å; I833-Y837 HydrophobicContact CG2-CE2 3.58Å; I833-Y837 VanDerWaalsContact O-CD2 3.28Å; I833-Y837 WeakPolarHBondContact O-CD2 3.4Å; I833-Y837 PolarHBondContact O-N 3.47Å
834E92.5Very high90.2Very high128 Ų12898.2 Ų98.260%0.59852%0.517SS*.Hα-helixtrans-59.2-45.2177-75.5-174.4-18000111.9V830 A831 C836 Y837 K838V830-E834 HydrophobicContact CG1-CG 4.4Å; V830-E834 WeakPolarHBondContact O-CG 3.41Å; V830-E834 PolarHBondContact O-N 2.84Å; A831-E834 PolarHBondContact O-N 2.79Å; E834-C836 VanDerWaalsContact C-N 3.32Å; E834-C836 PolarHBondContact O-N 3.32Å; E834-Y837 PolarHBondContact O-N 2.92Å; E834-K838 VanDerWaalsContact O-CB 3.29Å; E834-K838 WeakPolarHBondContact O-CB 3.5Å; E834-K838 PolarHBondContact O-N 3.45Å
835F91.3Very high89.3Confident146 Ų146102.6 Ų102.664%0.6453%0.526SS*.Hα-helixtrans-60.4-43.2176.1-175.4-97.9000111.4A831 L832 I833 S839A831-F835 VanDerWaalsContact O-CB 3.27Å; A831-F835 WeakPolarHBondContact O-CB 3.32Å; A831-F835 PolarHBondContact O-N 3.05Å; L832-F835 PolarHBondContact O-N 3.33Å; I833-F835 PolarHBondContact O-N 2.9Å; F835-S839 WeakPolarHBondContact O-CB 3.47Å; F835-S839 PolarHBondContact O-N 3.36Å
836C90.1Very high88.2Confident68 Ų68106.6 Ų106.646%0.45954%0.535SS..Hα-helixtrans-65.6-41.3176.7-71.60000112.3L832 I833 E834 R840L832-C836 WeakPolarHBondContact O-CB 3.38Å; L832-C836 PolarHBondContact O-N 2.86Å; L832-C836 PolarHBondContact O-SG 3.35Å; I833-C836 PolarHBondContact O-N 3.27Å; E834-C836 VanDerWaalsContact C-N 3.32Å; E834-C836 PolarHBondContact O-N 3.32Å; C836-R840 WeakPolarHBondContact O-CB 3.32Å; C836-R840 VanDerWaalsContact O-CG 3.3Å; C836-R840 WeakPolarHBondContact O-CG 3.46Å; C836-R840 PolarHBondContact O-N 3.24Å
837Y90.2Very high87.2Confident171 Ų171108.6 Ų108.667%0.67154%0.539SS*.Hα-helixtrans-66.1-48.3176.5-90.7-75.9000111.6I833 E834 R840 A841I833-Y837 HydrophobicContact CG2-CD2 3.53Å; I833-Y837 HydrophobicContact CG2-CE2 3.58Å; I833-Y837 VanDerWaalsContact O-CD2 3.28Å; I833-Y837 WeakPolarHBondContact O-CD2 3.4Å; I833-Y837 PolarHBondContact O-N 3.47Å; E834-Y837 PolarHBondContact O-N 2.92Å; Y837-R840 PolarHBondContact O-N 2.87Å; Y837-A841 WeakPolarHBondContact O-CB 3.44Å; Y837-A841 PolarHBondContact O-N 3.42Å
838K90.3Very high86.1Confident134 Ų134110.8 Ų110.858%0.58355%0.546SS*.Hα-helixtrans-63.7-45178.4-170.8175.8179.9179.20111.1E834 R840 A841 E842E834-K838 VanDerWaalsContact O-CB 3.29Å; E834-K838 WeakPolarHBondContact O-CB 3.5Å; E834-K838 PolarHBondContact O-N 3.45Å; K838-R840 PolarHBondContact O-N 3.32Å; K838-A841 PolarHBondContact O-N 3.5Å; K838-E842 WeakPolarHBondContact CE-OE1 3.37Å; K838-E842 HydrophobicContact CG-CG 4.44Å; K838-E842 WeakPolarHBondContact O-CB 3.49Å; K838-E842 WeakPolarHBondContact O-CG 3.48Å; K838-E842 PolarHBondContact O-N 3.42Å
839S85.9Confident84.7Confident59 Ų59107.3 Ų107.341%0.41354%0.537SS..Hα-helixtrans-59.8-42.6175.1-178.20000112F835 A843F835-S839 WeakPolarHBondContact O-CB 3.47Å; F835-S839 PolarHBondContact O-N 3.36Å; S839-A843 WeakPolarHBondContact O-CB 3.42Å; S839-A843 PolarHBondContact O-N 2.88Å
840R86.4Confident83.1Confident187 Ų187110 Ų11071%0.70655%0.545SS*.Hα-helixtrans-66.8-39.4174.4-77.7-179.7177.9-173.11.4112.7C836 Y837 K838 K844C836-R840 WeakPolarHBondContact O-CB 3.32Å; C836-R840 VanDerWaalsContact O-CG 3.3Å; C836-R840 WeakPolarHBondContact O-CG 3.46Å; C836-R840 PolarHBondContact O-N 3.24Å; Y837-R840 PolarHBondContact O-N 2.87Å; K838-R840 PolarHBondContact O-N 3.32Å; R840-K844 WeakPolarHBondContact O-CB 3.43Å; R840-K844 WeakPolarHBondContact O-CG 3.17Å; R840-K844 PolarHBondContact O-N 3.22Å
841A84.1Confident81.4Confident51 Ų51112.5 Ų112.542%0.42156%0.556SS.*Hα-helixtrans-67.1-43.517800000111.4Y837 K838 K844 R845Y837-A841 WeakPolarHBondContact O-CB 3.44Å; Y837-A841 PolarHBondContact O-N 3.42Å; K838-A841 PolarHBondContact O-N 3.5Å; A841-K844 WeakPolarHBondContact O-CB 3.48Å; A841-K844 PolarHBondContact O-N 2.99Å; A841-R845 WeakPolarHBondContact O-CG 3.09Å; A841-R845 PolarHBondContact O-N 3.38Å
842E83Confident79.7Confident85 Ų85113.2 Ų113.240%0.39756%0.562SS.*Hα-helixtrans-68.8-41.2175.2-74.5179.8-177.300111.6K838 K844 R845 M846K838-E842 WeakPolarHBondContact CE-OE1 3.37Å; K838-E842 HydrophobicContact CG-CG 4.44Å; K838-E842 WeakPolarHBondContact O-CB 3.49Å; K838-E842 WeakPolarHBondContact O-CG 3.48Å; K838-E842 PolarHBondContact O-N 3.42Å; E842-K844 VanDerWaalsContact C-N 3.28Å; E842-K844 PolarHBondContact O-N 3.11Å; E842-R845 CarbonylContact O-C 3.56Å; E842-R845 PolarHBondContact O-N 3.4Å; E842-R845 VanDerWaalsContact O-N 3.12Å; E842-M846 HydrophobicContact CB-CE 4.36Å; E842-M846 WeakPolarHBondContact O-CB 3.44Å; E842-M846 WeakPolarHBondContact O-CG 3.26Å; E842-M846 PolarHBondContact O-N 3.22Å
843A78.9Confident77.9Confident44 Ų44115.7 Ų115.736%0.36457%0.571SS.*Hα-helixtrans-62.1-36.1173.100000111.9S839 K847S839-A843 WeakPolarHBondContact O-CB 3.42Å; S839-A843 PolarHBondContact O-N 2.88Å; A843-K847 WeakPolarHBondContact O-CB 3.43Å; A843-K847 VanDerWaalsContact O-CG 3.27Å; A843-K847 WeakPolarHBondContact O-CG 3.38Å; A843-K847 PolarHBondContact O-N 3.21Å
844K79.7Confident75.9Confident155 Ų155118.7 Ų118.767%0.67459%0.588SS**Hα-helixtrans-65.6-47.2170.1-80.2-177.5178.3-175.90111.3R840 A841 E842 M846 K847 V848R840-K844 WeakPolarHBondContact O-CB 3.43Å; R840-K844 WeakPolarHBondContact O-CG 3.17Å; R840-K844 PolarHBondContact O-N 3.22Å; A841-K844 WeakPolarHBondContact O-CB 3.48Å; A841-K844 PolarHBondContact O-N 2.99Å; E842-K844 VanDerWaalsContact C-N 3.28Å; E842-K844 PolarHBondContact O-N 3.11Å; K844-M846 PolarHBondContact O-N 2.9Å; K844-K847 PolarHBondContact O-N 3.28Å; K844-V848 VanDerWaalsContact O-CG2 3.3Å; K844-V848 WeakPolarHBondContact O-CG2 3.47Å; K844-V848 PolarHBondContact O-N 3.24Å
845R77.2Confident74Confident201 Ų201118.9 Ų118.976%0.75859%0.592SS**Hα-helixtrans-59.9-43176.6-78.7-176.6170.9179.5-2.4112A841 E842 V848 A849A841-R845 WeakPolarHBondContact O-CG 3.09Å; A841-R845 PolarHBondContact O-N 3.38Å; E842-R845 CarbonylContact O-C 3.56Å; E842-R845 PolarHBondContact O-N 3.4Å; E842-R845 VanDerWaalsContact O-N 3.12Å; R845-V848 PolarHBondContact O-N 3.22Å; R845-A849 WeakPolarHBondContact O-CB 3.39Å; R845-A849 PolarHBondContact O-N 2.01Å
846M71.4Confident71.7Confident125 Ų125118.9 Ų118.962%0.61660%0.599SS**Hα-helixtrans-68.1-38.5176.6-69.7-171.1-147.500112.2E842 K844 V848 A849 K850E842-M846 HydrophobicContact CB-CE 4.36Å; E842-M846 WeakPolarHBondContact O-CB 3.44Å; E842-M846 WeakPolarHBondContact O-CG 3.26Å; E842-M846 PolarHBondContact O-N 3.22Å; K844-M846 PolarHBondContact O-N 2.9Å; M846-V848 VanDerWaalsContact C-N 3.34Å; M846-A849 PolarHBondContact O-N 2.97Å; M846-K850 VanDerWaalsContact O-CB 3.26Å; M846-K850 WeakPolarHBondContact O-CB 3.38Å; M846-K850 PolarHBondContact O-N 3.28Å
847K73.8Confident69Low151 Ų151121.5 Ų121.566%0.65762%0.615SS**Hα-helixtrans-64-39.1173.1-78.8-179.6-178.6-173.90111.9A843 K844 N851A843-K847 WeakPolarHBondContact O-CB 3.43Å; A843-K847 VanDerWaalsContact O-CG 3.27Å; A843-K847 WeakPolarHBondContact O-CG 3.38Å; A843-K847 PolarHBondContact O-N 3.21Å; K844-K847 PolarHBondContact O-N 3.28Å; K847-N851 WeakPolarHBondContact O-CB 3.27Å; K847-N851 VanDerWaalsContact O-CG 3.31Å; K847-N851 PolarHBondContact O-N 3.45Å
848V70.7Confident66.6Low104 Ų104118.7 Ų118.763%0.6362%0.62SS**Hα-helixtrans-65.6-43.9173.9174.20000110.8K844 R845 M846 N851 A852K844-V848 VanDerWaalsContact O-CG2 3.3Å; K844-V848 WeakPolarHBondContact O-CG2 3.47Å; K844-V848 PolarHBondContact O-N 3.24Å; R845-V848 PolarHBondContact O-N 3.22Å; M846-V848 VanDerWaalsContact C-N 3.34Å; V848-N851 PolarHBondContact O-N 3.42Å; V848-A852 PolarHBondContact O-N 3.31Å; V848-A852 VanDerWaalsContact O-N 3.08Å
849A65.5Low64.1Low54 Ų54118.2 Ų118.245%0.44663%0.634SS.*Hα-helixtrans-66-39.1177.200000113.1R845 M846 A852 Q853R845-A849 WeakPolarHBondContact O-CB 3.39Å; R845-A849 PolarHBondContact O-N 2.01Å; M846-A849 PolarHBondContact O-N 2.97Å; A849-A852 WeakPolarHBondContact O-CB 2.96Å; A849-A852 PolarHBondContact O-N 3.38Å; A849-Q853 PolarHBondContact O-N 3.33Å
850K60.3Low61.6Low149 Ų149120.6 Ų120.665%0.64865%0.65SS**Hα-helixtrans-71-33.7178.5-152.2176.2-171.2-179.90112M846 A852 Q853 N854M846-K850 VanDerWaalsContact O-CB 3.26Å; M846-K850 WeakPolarHBondContact O-CB 3.38Å; M846-K850 PolarHBondContact O-N 3.28Å; K850-A852 VanDerWaalsContact C-N 3.31Å; K850-Q853 PolarHBondContact O-N 3.07Å; K850-N854 PolarHBondContact O-N 2.97Å
851N59.3Low59.3Low118 Ų118119.8 Ų119.863%0.63166%0.655SS**Hα-helixtrans-68.2-30.3170.2-76.1-6.5000112.3K847 V848K847-N851 WeakPolarHBondContact O-CB 3.27Å; K847-N851 VanDerWaalsContact O-CG 3.31Å; K847-N851 PolarHBondContact O-N 3.45Å; V848-N851 PolarHBondContact O-N 3.42Å
852A57.7Low57Low70 Ų70125 Ų12558%0.57968%0.675SS**Hα-helixtrans-73.6-30.2173.900000113.2V848 A849 K850V848-A852 PolarHBondContact O-N 3.31Å; V848-A852 VanDerWaalsContact O-N 3.08Å; A849-A852 WeakPolarHBondContact O-CB 2.96Å; A849-A852 PolarHBondContact O-N 3.38Å; K850-A852 VanDerWaalsContact C-N 3.31Å
853Q53.7Low54.9Low152 Ų152125.3 Ų125.371%0.7169%0.687SS**Hα-helixtrans-77.9-20.9178.7-80.1-178.5-26.700114.7A849 K850 I855A849-Q853 PolarHBondContact O-N 3.33Å; K850-Q853 PolarHBondContact O-N 3.07Å; Q853-I855 PolarHBondContact O-N 3.48Å; Q853-I855 VanDerWaalsContact O-N 3.14Å
854N51.3Low52.8Low141 Ų141131.6 Ų131.675%0.75471%0.709SS**THydrogen-bonded Turntrans-72.31.8176.5-86.8-8.2000114.6K850K850-N854 PolarHBondContact O-N 2.97Å
855I54.3Low50.8Low131 Ų131132.2 Ų132.267%0.67272%0.719SS**THydrogen-bonded Turntrans-98.7-6.5-177.8-66.9175.2000113.1Q853Q853-I855 PolarHBondContact O-N 3.48Å; Q853-I855 VanDerWaalsContact O-N 3.14Å
856N41.6Very low48.7Very low146 Ų146133.1 Ų133.178%0.78173%0.729SS**  trans-150.6105.6175.3-89-33.5000112.9
857P33.8Very low47.1Very low124 Ų124131.7 Ų131.781%0.80574%0.738SS**  trans-101.2109.9169.933.9-22.3000110.2
858S40.5Very low45.2Very low112 Ų112130 Ų13078%0.78374%0.74SS**  trans-170.2139.2150.437.80000112.7
859S37.5Very low43.2Very low124 Ų124135.3 Ų135.387%0.86775%0.75SS**  trans8373.3174.270.80000118.2
860S33.9Very low41.6Very low108 Ų108142.6 Ų142.676%0.75577%0.772SS**  trans-77.1145146.4450000110.9
861Q36.6Very low40.3Very low171 Ų171144.3 Ų144.380%0.79978%0.782SS**  trans153.3105.9132.4-84.1-175.9-5.500112.5
862N37.5Very low39.1Very low159 Ų159142.1 Ų142.185%0.8579%0.787SS**  -172.382.8121.9-97.5-11.5000111.9
863S37.3Very low38Very low92 Ų92148.9 Ų148.964%0.64380%0.799SS**  trans18.7129.9131.2-44.70000122.7
864Q35.7Very low37.1Very low176 Ų176148.9 Ų148.982%0.82280%0.804SS**  trans88.598.8133-72.5172.4-5.500120.2
865N37.1Very low36.3Very low168 Ų168148.3 Ų148.390%0.89881%0.806SS**  -159.1120.3106.3-90.8-28.5000111.2
866F33Very low35.5Very low220 Ų220153 Ų15397%0.96582%0.816SS**  trans-84.2120.9175.7-116.9-100.2000108.8
867A37.6Very low35.2Very low96 Ų96149.1 Ų149.179%0.79381%0.811SS**  trans-154.9113.3156.500000110.8
868T33.6Very low35.3Very low114 Ų114150.7 Ų150.770%0.69981%0.811SS**  trans-38.3145.6169.96.70000119.1
869Y29.7Very low35.1Very low217 Ų217154.9 Ų154.985%0.85182%0.818SS**  trans57.9110.6151.7-69.4-76.9000120.8
870K32.5Very low35.1Very low206 Ų206153.7 Ų153.790%0.89681%0.81SS**  177.3136.6111.8-106.2179.1174.1178.80112.8
871E32.5Very low35.6Very low185 Ų185155.6 Ų155.686%0.86482%0.817SS**  trans-55.3136165.5-67.5168.5141.100110.9
872G32.7Very low35.6Very low72 Ų72156.8 Ų156.874%0.74282%0.819SS**  trans-12572.9174.800000110.6
873Y35.9Very low35.4Very low212 Ų212160.7 Ų160.783%0.83184%0.838SS**  trans-75.6121155.8-88.6-94.4000107.4V875Y873-V875 PolarHBondContact O-N 3.18Å
874N33.8Very low35.3Very low153 Ų153164.1 Ų164.182%0.81885%0.847SS**  trans-6699.1174.9-78.9-24.2000109.8
875V34.3Very low35.3Very low129 Ų129163.5 Ų163.578%0.78285%0.849SS**  trans-82.9110.2158.8175.70000106.8Y873Y873-V875 PolarHBondContact O-N 3.18Å
876Y38.4Very low35.2Very low228 Ų228163.2 Ų163.289%0.89485%0.846SS**PPolyproline II helixtrans-81.5119.3156.8-92.9-82.6000108.1
877G34.5Very low35.4Very low65 Ų65159.9 Ų159.967%0.6784%0.839SS**PPolyproline II helixtrans-75161.1-169.600000115.1
878I36.3Very low35.2Very low158 Ų158163.9 Ų163.981%0.8184%0.842SS**PPolyproline II helixtrans-61.4135.8175-64.1153000111.1
879E37.3Very low35.3Very low199 Ų199167.2 Ų167.293%0.9385%0.851SS**  trans-125.3114.6142.5-112.6-176.8179.200109.4
880S36.2Very low35.7Very low100 Ų100163.6 Ų163.670%0.69985%0.851SS**  trans-76.5135.317548.50000111.3
881V44.1Very low36Very low147 Ų147160.4 Ų160.489%0.89185%0.848SS**  trans-132.4125.9148.9179.20000108.9
882K37.6Very low36.3Very low196 Ų196158.3 Ų158.385%0.85285%0.846SS**  trans-52.7135.1176.2-68168.4171.3174.60112.7
883I34.1Very low36.6Very low241 Ų241166.2 Ų166.2100%1.23686%0.856SS**  -137.5097.9-72.5-177.6000107.2

Retrieved 883 of 883 residues in 391.1 ms (Link to these results)