A0A087X1R2_HUMAN Loading...

Osteoclast associated Ig-like receptor

AlphaFold DB , UniProt , Accession A0A087X1R2, Species HUMAN (Homo sapiens, Human), Gene OSCAR, Length 267 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M54.4Low47.6Very low234 Ų234146 Ų146100%1.15379%0.79SS**  026.30-66.3-68.1-87.300113.4
2A49.9Very low47.3Very low84 Ų84147.8 Ų147.869%0.69480%0.798SS**  trans-127.28.1178.600000114
3L46.6Very low46.4Very low156 Ų156155.2 Ų155.282%0.81781%0.807SS**SBendtrans-115.17.8-176-98.4155000113.8
4V51.7Low45.8Very low120 Ų120151.9 Ų151.973%0.72780%0.8SS**SBendtrans-105.4-8.6-179.3-178.60000112.3
5L48.4Very low45.6Very low142 Ų142152.5 Ų152.574%0.74380%0.803SS**SBendtrans-98.8-3.8-177.5-100.8133.6000115.3
6I49.3Very low44.9Very low125 Ų125150.6 Ų150.664%0.64180%0.804SS**SBendtrans-94-15.9-179.3-61.7172.2000112
7L43.2Very low44.2Very low151 Ų151151.5 Ų151.579%0.79180%0.802SS**THydrogen-bonded Turntrans-88.22.4-177.8-116.192.3000115.4
8Q46.1Very low43.4Very low160 Ų160149.6 Ų149.675%0.74880%0.798SS**THydrogen-bonded Turntrans-107.98.5-177.9-69.8-159.5-39.300115.3
9L43.9Very low42.7Very low156 Ų156149.4 Ų149.482%0.81780%0.797SS**SBendtrans-106.88.1179.5-90.9150.8000114.9
10L44Very low42.9Very low161 Ų161150.3 Ų150.384%0.84380%0.8SS**SBendtrans-111.811.7-179.8-74.8169.2000114.8
11T46.5Very low42.5Very low117 Ų117149.3 Ų149.372%0.71880%0.799SS**  trans-11017.2-174.652.10000115.7
12L43.6Very low42.5Very low168 Ų168143.4 Ų143.488%0.8878%0.778SS**  trans-12362.6172-87.4142.4000111.1
13W35.3Very low42.1Very low243 Ų243144.7 Ų144.792%0.9278%0.782SS**  trans-117109154.9-131.5-24.8000107.6L15W13-L15 PolarHBondContact O-N 3.11Å; W13-L15 VanDerWaalsContact O-N 3.15Å
14P38.7Very low41.8Very low110 Ų110143.3 Ų143.371%0.71478%0.78SS**  trans-74.7106166.5510.7000107.5C16P14-C16 PolarHBondContact O-N 3.36Å
15L42.5Very low41.4Very low160 Ų160142.2 Ų142.284%0.83878%0.784SS**  trans-53.4110.2150.4-82.5150.8000107.9W13W13-L15 PolarHBondContact O-N 3.11Å; W13-L15 VanDerWaalsContact O-N 3.15Å
16C34.8Very low41.3Very low122 Ų122142.3 Ų142.382%0.82478%0.784SS**  trans-113.698157.7-147.60000107P14P14-C16 PolarHBondContact O-N 3.36Å
17H33Very low40.9Very low167 Ų167144 Ų14477%0.77379%0.792SS**  trans-92.3133.2163.6-107.6-37.9000108.3
18T30.3Very low40.8Very low117 Ų117142.9 Ų142.972%0.71879%0.791SS**  trans159.5137.3152.141.40000105.2
19D30.2Very low41.1Very low145 Ų145140.7 Ų140.778%0.77579%0.791SS**  cis-156.9136.8-6.6-100.8-42.7000104.1
20I45.7Very low41.9Very low168 Ų168139.2 Ų139.286%0.86279%0.791SS**  trans-91.2110.3172.8-64.9169.1000107.2
21T34.8Very low41.8Very low129 Ų129135.9 Ų135.979%0.79179%0.786SS**  trans-115.8130.1154.6490000109
22P53.9Low42.3Very low110 Ų110133.1 Ų133.171%0.71477%0.772SS**  trans-83.8171.2-175.835.1-33000111.3
23S42.3Very low43.7Very low111 Ų111135.6 Ų135.678%0.77677%0.771SS**  trans92.181.4167.671.10000117.8
24V39.3Very low46Very low128 Ų128125.9 Ų125.978%0.77674%0.736SS**  -146109.3108.6-177.80000107.2I26V24-I26 VanDerWaalsContact C-N 3.35Å; V24-I26 HydrophobicContact CG1-CG1 3.78Å; V24-I26 PolarHBondContact O-N 3.01Å
25A43.8Very low48.5Very low96 Ų96123.1 Ų123.179%0.79372%0.718SS**  trans-71.594.316500000107.8I27A25-I27 PolarHBondContact O-N 3.06Å
26I46.1Very low50.9Low145 Ų145120.1 Ų120.174%0.74470%0.698SS**  trans-76.6114.1165.3-59.4179.4000106.7V24V24-I26 VanDerWaalsContact C-N 3.35Å; V24-I26 HydrophobicContact CG1-CG1 3.78Å; V24-I26 PolarHBondContact O-N 3.01Å
27I40.8Very low53.9Low161 Ų161114.5 Ų114.583%0.82666%0.66SS**  trans-61.7128.7176.1-62.4159.1000109.2A25A25-I27 PolarHBondContact O-N 3.06Å
28V41.9Very low56.9Low126 Ų126113.3 Ų113.376%0.76465%0.649SS**  trans-77.9155.7178.8175.90000108.5
29P52.9Low60.1Low115 Ų115108.5 Ų108.575%0.74762%0.619SS**  cis-147-155.726.649.6-27.3000116.1
30P58.8Low63.4Low125 Ų125102 Ų10281%0.81259%0.586SS**  -108.9158.7-118.432.5-10.1000114.4
31A43Very low65.8Low91 Ų9194.9 Ų94.975%0.75255%0.552SS**  trans-144.5113.4170.300000111.5
32S56.4Low68.7Low58 Ų5893.4 Ų93.441%0.40654%0.536SS..  trans-25.3134.4152.235.30000113.7H34 Q118S32-H34 PolarHBondContact O-N 3.46Å; S32-Q118 PolarHBondContact OG-NE2 3.21Å; S32-Q118 PolarHBondContact OG-OE1 3.23Å; S32-Q118 VanDerWaalsContact OG-OE1 3.07Å
33Y72.5Confident70.7Confident220 Ų22093 Ų9386%0.86353%0.533SS*.SBendtrans-54.9-12.4-171.6-141.3-108.7000115.6
34H84.5Confident73.1Confident39 Ų3989.6 Ų89.618%0.18151%0.512CS..SBendtrans-142.7102.8-179.3-52.3-58.2000111.3S32 W111 Q118S32-H34 PolarHBondContact O-N 3.46Å; H34-W111 HydrophobicContact CB-CH2 3.77Å; H34-W111 HydrophobicContact CB-CZ2 4.2Å; H34-W111 HydrophobicContact CB-CZ3 4.35Å; H34-W111 AromaticContact CE1-CD2 3.92Å; H34-W111 AromaticContact CE1-CE2 3.54Å; H34-W111 AromaticContact CE1-CZ2 3.79Å; H34-W111 AromaticContact CE1-NE1 3.75Å; H34-W111 AromaticContact CG-CH2 3.7Å; H34-W111 AromaticContact CG-CZ2 3.8Å; H34-W111 AromaticContact ND1-CE2 3.38Å; H34-W111 AromaticContact ND1-CH2 3.53Å; H34-W111 AromaticContact ND1-CZ2 3.11Å; H34-W111 WeakPolarHBondContact ND1-CZ2 3.33Å; H34-W111 AromaticContact ND1-NE1 3.9Å; H34-Q118 WeakPolarHBondContact O-CG 3.47Å; H34-Q118 PolarHBondContact O-N 2.88Å
35P90.3Very high75.7Confident52 Ų5286.6 Ų86.634%0.33849%0.494SS..PPolyproline II helixtrans-64.2151.3-173.926.5-34.5000112.5P60 Y106P35-P60 HydrophobicContact CB-CG 4.08Å; P35-P60 HydrophobicContact CG-CB 4.28Å; P35-P60 HydrophobicContact CG-CG 3.99Å; P35-Y106 WeakPolarHBondContact O-CE1 3.49Å; P35-Y106 PolarHBondContact O-OH 3.02Å
36K94.3Very high78.1Confident97 Ų9786 Ų8642%0.42248%0.481SS..PPolyproline II helixtrans-70.7142.5-179.169.6174.6-177.71730112P60 Q118 P119 D121K36-P60 WeakPolarHBondContact O-CG 3.42Å; K36-Q118 HydrophobicContact CB-CB 4.02Å; K36-P119 WeakPolarHBondContact CB-O 3.4Å; K36-D121 IonicContact NZ-OD1 3.06Å; K36-D121 PolarHBondContact NZ-OD1 3.04Å; K36-D121 IonicContact NZ-OD2 2.83Å; K36-D121 PolarHBondContact NZ-OD2 3.49Å
37P96.2Very high80.3Confident5 Ų579.7 Ų79.73%0.03245%0.449CS..PPolyproline II helixtrans-80.2168169.233-32.2000112R58 C104 Y106 Q118 S120P37-R58 CarbonylContact C-O 3.59Å; P37-R58 WeakPolarHBondContact CA-O 3.45Å; P37-R58 WeakPolarHBondContact CB-O 3.48Å; P37-C104 HydrophobicContact CG-CB 4.46Å; P37-C104 VanDerWaalsContact CG-O 3.23Å; P37-C104 WeakPolarHBondContact CG-O 3.48Å; P37-Y106 HydrophobicContact CB-CD1 3.92Å; P37-Y106 HydrophobicContact CB-CE1 4.23Å; P37-Y106 HydrophobicContact CG-CD1 3.96Å; P37-Y106 HydrophobicContact CG-CE1 4.37Å; P37-Q118 WeakPolarHBondContact CD-O 3.25Å; P37-S120 WeakPolarHBondContact O-CA 3.32Å; P37-S120 WeakPolarHBondContact O-CB 3.46Å
38W97.4Very high82.6Confident141 Ų14175 Ų7553%0.53443%0.428SS..EExtended strand (participates in β ladder)trans-96.3144.7168.7174.986000110.6R56 C57 R58W38-R56 HydrophobicContact CZ3-CB 4.18Å; W38-R56 WeakPolarHBondContact CZ3-O 3.44Å; W38-C57 CarbonylContact O-C 3.4Å; W38-C57 VanDerWaalsContact O-CA 3.32Å; W38-C57 WeakPolarHBondContact O-CA 3.27Å; W38-R58 HydrophobicContact CE3-CB 4.04Å; W38-R58 PolarHBondContact N-O 3.35Å; W38-R58 PolarHBondContact O-N 2.91Å
39L98Very high84.9Confident17 Ų1769 Ų699%0.08939%0.392CS..EExtended strand (participates in β ladder)trans-130.4130.7175.418062.7000109.6L55 R56 C57 L68 C104 L123L39-L55 HydrophobicContact CD1-CB 4.28Å; L39-R56 WeakPolarHBondContact CA-O 3.3Å; L39-C57 HydrophobicContact CD1-CB 4.15Å; L39-L68 HydrophobicContact CD1-CD1 4.17Å; L39-L68 HydrophobicContact CD2-CD1 4.1Å; L39-C104 HydrophobicContact CB-CB 4.25Å; L39-C104 HydrophobicContact CD1-CB 4.12Å; L39-C104 HydrophobicContact CD2-CB 4.21Å; L39-C104 HydrophobicContact CG-CB 4.43Å; L39-L123 HydrophobicContact CD2-CB 3.71Å; L39-L123 HydrophobicContact CG-CB 3.99Å; L39-L123 HydrophobicContact CG-CD1 4.09Å
40G97.4Very high86.5Confident8 Ų864.2 Ų64.28%0.08236%0.362CS..EExtended strand (participates in β ladder)trans-138.2165.717500000112.3L55 R56 L123G40-L55 CarbonylContact O-C 3.53Å; G40-L55 WeakPolarHBondContact O-CA 3.29Å; G40-R56 PolarHBondContact N-O 2.89Å; G40-R56 PolarHBondContact O-N 3.03Å; G40-L123 VanDerWaalsContact CA-CD1 3.42Å
41A97.5Very high88Confident18 Ų1859.9 Ų59.915%0.14933%0.334CS..EExtended strand (participates in β ladder)trans-119141.3177.700000110.5A44 T45 V53 L55 L123A41-A44 WeakPolarHBondContact CB-O 3.48Å; A41-T45 HydrophobicContact CB-CG2 4.01Å; A41-V53 HydrophobicContact CB-CG1 4.3Å; A41-L55 HydrophobicContact CB-CD2 3.62Å; A41-L123 HydrophobicContact CB-CD1 3.89Å; A41-L123 HydrophobicContact CB-CD2 4.25Å
42Q96.4Very high90.4Very high98 Ų9860.2 Ų60.246%0.45832%0.323SS..EExtended strand (participates in β ladder)trans-124.1136.7168.9-68-169.4-36.200109.1V53 T54 R56Q42-V53 WeakPolarHBondContact O-CA 3.42Å; Q42-T54 PolarHBondContact N-O 3.38Å; Q42-T54 PolarHBondContact O-N 3.29Å; Q42-R56 VanDerWaalsContact OE1-CD 3.24Å
43P94.1Very high92.3Very high101 Ų10157.5 Ų57.566%0.65630%0.304SS*.SBendcis-76.5-25.54.430.7-35.4000114.3V51P43-V51 HydrophobicContact CG-CG1 4.33Å
44A93.9Very high93.5Very high40 Ų4048.3 Ų48.333%0.33127%0.271SS..  trans-155.5169.8-178.300000111.4A41 V47A41-A44 WeakPolarHBondContact CB-O 3.48Å; A44-V47 HydrophobicContact CB-CG1 4.49Å
45T93.8Very high94.1Very high65 Ų6546.5 Ų46.540%0.39926%0.262SS..SBendtrans-84.7-14.6171.7500000113.3A41 L123 L125 L126A41-T45 HydrophobicContact CB-CG2 4.01Å; T45-L123 HydrophobicContact CG2-CD1 4.2Å; T45-L123 HydrophobicContact CG2-CG 4.21Å; T45-L125 CarbonylContact O-C 3.55Å; T45-L125 WeakPolarHBondContact O-CA 3.29Å; T45-L126 PolarHBondContact O-N 3.43Å
46V94.2Very high94.4Very high85 Ų8547 Ų4752%0.51526%0.258SS..EExtended strand (participates in β ladder)trans-117.4118.5174-172.90000108L126V46-L126 WeakPolarHBondContact CA-O 3.4Å; V46-L126 HydrophobicContact CG1-CB 4.32Å; V46-L126 HydrophobicContact CG2-CB 4.24Å
47V92.3Very high94.6Very high11 Ų1142.4 Ų42.47%0.06724%0.238CC..EExtended strand (participates in β ladder)trans-140159.7-173.8-64.30000111.8A44 V53 V94 L125 L126 V127 T128A44-V47 HydrophobicContact CB-CG1 4.49Å; V47-V53 HydrophobicContact CB-CG2 4.38Å; V47-V53 HydrophobicContact CG1-CG2 3.97Å; V47-V53 HydrophobicContact CG2-CG2 3.87Å; V47-V94 HydrophobicContact CG2-CG2 3.81Å; V47-L125 HydrophobicContact CG2-CD1 4.21Å; V47-L126 PolarHBondContact N-O 3.42Å; V47-V127 HydrophobicContact CG2-CG2 4.08Å; V47-V127 WeakPolarHBondContact O-CA 3.48Å; V47-T128 PolarHBondContact O-N 2.88Å
48T89.8Confident94.6Very high64 Ų6448.5 Ų48.539%0.39326%0.26SS..  trans-89.7154.7171.753.10000111.3V51T48-V51 WeakPolarHBondContact O-CB 3.49Å; T48-V51 WeakPolarHBondContact O-CG2 3.5Å; T48-V51 PolarHBondContact O-N 3.49Å; T48-V51 WeakPolarHBondContact OG1-CG2 3.45Å
49P89.5Confident94.4Very high0 Ų041.9 Ų41.90%024%0.235CC..THydrogen-bonded Turntrans-55.5139.2176-28.635.4000113.3V51 V94 P96 V127 T128 E130 L131 P132 L158P49-V51 VanDerWaalsContact C-N 3.34Å; P49-V94 CarbonylContact C-O 3.53Å; P49-V94 WeakPolarHBondContact CA-O 3.41Å; P49-P96 HydrophobicContact CG-CG 4.07Å; P49-V127 HydrophobicContact CB-CG1 4.49Å; P49-V127 HydrophobicContact CG-CG1 3.87Å; P49-T128 VanDerWaalsContact CD-O 3.23Å; P49-T128 WeakPolarHBondContact CD-O 3.27Å; P49-T128 WeakPolarHBondContact CD-OG1 3.37Å; P49-T128 WeakPolarHBondContact CG-O 3.41Å; P49-E130 WeakPolarHBondContact CD-O 3.42Å; P49-L131 HydrophobicContact CB-CD2 4.07Å; P49-L131 HydrophobicContact CG-CD2 4.16Å; P49-P132 VanDerWaalsContact O-CG 3.28Å; P49-P132 WeakPolarHBondContact O-CG 3.35Å; P49-L158 HydrophobicContact CB-CD1 3.83Å
50G86.5Confident94.2Very high13 Ų1344.1 Ų44.113%0.13425%0.251CS..THydrogen-bonded Turntrans86.50178.900000114.9V94G50-V94 PolarHBondContact N-O 2.89Å
51V89.9Confident93.8Very high35 Ų3547.6 Ų47.621%0.21227%0.265CS..  trans-79.6140.4169.1176.90000109.4P43 T48 P49 V94P43-V51 HydrophobicContact CG-CG1 4.33Å; T48-V51 WeakPolarHBondContact O-CB 3.49Å; T48-V51 WeakPolarHBondContact O-CG2 3.5Å; T48-V51 PolarHBondContact O-N 3.49Å; T48-V51 WeakPolarHBondContact OG1-CG2 3.45Å; P49-V51 VanDerWaalsContact C-N 3.34Å; V51-V94 VanDerWaalsContact O-CG2 3.3Å; V51-V94 WeakPolarHBondContact O-CG2 3.34Å; V51-V94 PolarHBondContact O-N 3.01Å; V51-V94 VanDerWaalsContact O-N 3.14Å
52N93.8Very high93.4Very high98 Ų9849.8 Ų49.852%0.52428%0.278SS..  trans-81.7128.1172.5-66-9.8000109.5L91 E93N52-L91 WeakPolarHBondContact CA-O 3.43Å; N52-E93 PolarHBondContact OD1-N 3.4Å
53V95.8Very high93Very high1 Ų145.6 Ų45.61%0.00626%0.259CS..EExtended strand (participates in β ladder)trans-114.6132.3179.6178.80000109.5A41 Q42 V47 L55 L91 V94 L125A41-V53 HydrophobicContact CB-CG1 4.3Å; Q42-V53 WeakPolarHBondContact O-CA 3.42Å; V47-V53 HydrophobicContact CB-CG2 4.38Å; V47-V53 HydrophobicContact CG1-CG2 3.97Å; V47-V53 HydrophobicContact CG2-CG2 3.87Å; V53-L55 HydrophobicContact CG1-CD2 4.03Å; V53-L55 HydrophobicContact CG1-CG 4.5Å; V53-L91 HydrophobicContact CB-CB 4.39Å; V53-L91 PolarHBondContact N-O 2.95Å; V53-L91 PolarHBondContact O-N 3.29Å; V53-V94 HydrophobicContact CB-CG1 4.08Å; V53-V94 HydrophobicContact CG2-CG1 3.87Å; V53-V94 HydrophobicContact CG2-CG2 4.25Å; V53-L125 HydrophobicContact CG1-CD1 4.12Å; V53-L125 HydrophobicContact CG2-CD1 4.46Å
54T97.4Very high92.7Very high27 Ų2747.2 Ų47.217%0.16625%0.253CS..EExtended strand (participates in β ladder)trans-108.3115.8172.8-52.40000109.2Q42 R56 E88 F89 F90Q42-T54 PolarHBondContact N-O 3.38Å; Q42-T54 PolarHBondContact O-N 3.29Å; T54-R56 HydrophobicContact CG2-CG 4.12Å; T54-E88 HydrophobicContact CG2-CB 3.9Å; T54-E88 HydrophobicContact CG2-CG 4.32Å; T54-F89 WeakPolarHBondContact CA-O 3.36Å; T54-F90 HydrophobicContact CG2-CD1 3.82Å; T54-F90 HydrophobicContact CG2-CE1 3.54Å; T54-F90 HydrophobicContact CG2-CZ 4.17Å; T54-F90 VanDerWaalsContact OG1-CD1 3.31Å; T54-F90 WeakPolarHBondContact OG1-CD1 3.42Å; T54-F90 WeakPolarHBondContact OG1-CE1 3.38Å
55L97.5Very high92.7Very high0 Ų048.6 Ų48.60%025%0.249CC..EExtended strand (participates in β ladder)trans-88.8119.4172.1-59.7-179.4000108.9L39 G40 A41 V53 L68 E88 F89 L91 Y102 L123L39-L55 HydrophobicContact CD1-CB 4.28Å; G40-L55 CarbonylContact O-C 3.53Å; G40-L55 WeakPolarHBondContact O-CA 3.29Å; A41-L55 HydrophobicContact CB-CD2 3.62Å; V53-L55 HydrophobicContact CG1-CD2 4.03Å; V53-L55 HydrophobicContact CG1-CG 4.5Å; L55-L68 HydrophobicContact CD1-CD1 4.11Å; L55-L68 HydrophobicContact CD1-CD2 3.62Å; L55-L68 HydrophobicContact CD1-CG 4.49Å; L55-E88 WeakPolarHBondContact O-CA 3.44Å; L55-F89 HydrophobicContact CB-CB 4.26Å; L55-F89 PolarHBondContact N-O 3.3Å; L55-F89 PolarHBondContact O-N 2.99Å; L55-L91 HydrophobicContact CD1-CD1 3.85Å; L55-L91 HydrophobicContact CD1-CG 4.49Å; L55-L91 HydrophobicContact CG-CD1 4.18Å; L55-Y102 HydrophobicContact CD1-CD1 4.19Å; L55-Y102 HydrophobicContact CD1-CD2 4.42Å; L55-Y102 HydrophobicContact CD1-CG 4.12Å; L55-L123 HydrophobicContact CD2-CD1 4.47Å; L55-L123 HydrophobicContact CD2-CD2 3.8Å
56R97.4Very high92.8Very high64 Ų6445.5 Ų45.524%0.24223%0.23CC..EExtended strand (participates in β ladder)trans-106.1114.2-175-59.6-173.184170.64.4108.9W38 L39 G40 Q42 T54 L86 E88W38-R56 HydrophobicContact CZ3-CB 4.18Å; W38-R56 WeakPolarHBondContact CZ3-O 3.44Å; L39-R56 WeakPolarHBondContact CA-O 3.3Å; G40-R56 PolarHBondContact N-O 2.89Å; G40-R56 PolarHBondContact O-N 3.03Å; Q42-R56 VanDerWaalsContact OE1-CD 3.24Å; T54-R56 HydrophobicContact CG2-CG 4.12Å; R56-L86 HydrophobicContact CB-CD1 4.23Å; R56-E88 HydrophobicContact CG-CG 4.28Å; R56-E88 IonicContact CZ-OE1 2.79Å; R56-E88 IonicContact NE-OE1 3.82Å; R56-E88 PolarHBondContact NE-OE1 2.98Å; R56-E88 IonicContact NH2-OE1 2.76Å; R56-E88 PolarHBondContact NH2-OE1 3.48Å
57C96.9Very high92.9Very high0 Ų041.4 Ų41.40%021%0.206CC..EExtended strand (participates in β ladder)trans-106.1120.5176.4-176.80000110.5W38 L39 F66 L86 A87 F89 C104W38-C57 CarbonylContact O-C 3.4Å; W38-C57 VanDerWaalsContact O-CA 3.32Å; W38-C57 WeakPolarHBondContact O-CA 3.27Å; L39-C57 HydrophobicContact CD1-CB 4.15Å; C57-F66 HydrophobicContact CB-CD1 4.14Å; C57-L86 WeakPolarHBondContact O-CA 3.39Å; C57-A87 PolarHBondContact N-O 3.44Å; C57-A87 PolarHBondContact O-N 2.93Å; C57-F89 HydrophobicContact CB-CE2 4.03Å; C57-C104 HydrophobicContact CB-CB 3.76Å; C57-C104 WeakPolarHBondContact CB-SG 3.49Å; C57-C104 WeakPolarHBondContact SG-CB 3.49Å; C57-C104 CovalentContact SG-SG 2Å; C57-C104 PolarHBondContact SG-SG 3.05Å
58R96.8Very high93.1Very high132 Ų13240.9 Ų40.950%0.49820%0.203SC..EExtended strand (participates in β ladder)trans-112.7115.9179.3-174.5179.4-73.1157.8-3.8110.5P37 W38 E85 L86P37-R58 CarbonylContact C-O 3.59Å; P37-R58 WeakPolarHBondContact CA-O 3.45Å; P37-R58 WeakPolarHBondContact CB-O 3.48Å; W38-R58 HydrophobicContact CE3-CB 4.04Å; W38-R58 PolarHBondContact N-O 3.35Å; W38-R58 PolarHBondContact O-N 2.91Å; R58-E85 CarbonylContact C-O 3.43Å; R58-E85 VanDerWaalsContact CA-O 3.24Å; R58-E85 WeakPolarHBondContact CA-O 3.26Å; R58-L86 HydrophobicContact CB-CD1 4.11Å
59A94.5Very high93.3Very high2 Ų239 Ų392%0.01719%0.189CC..  trans-81.3152.4171.700000111Q61 F66 E85 Y106A59-Q61 VanDerWaalsContact CB-O 3.23Å; A59-Q61 WeakPolarHBondContact CB-O 3.41Å; A59-Q61 PolarHBondContact O-N 3.43Å; A59-F66 HydrophobicContact CB-CE1 3.63Å; A59-F66 HydrophobicContact CB-CZ 3.68Å; A59-E85 PolarHBondContact N-O 3.22Å; A59-Y106 HydrophobicContact CB-CD1 3.63Å; A59-Y106 HydrophobicContact CB-CD2 4.28Å; A59-Y106 HydrophobicContact CB-CE1 3.87Å; A59-Y106 HydrophobicContact CB-CE2 4.47Å; A59-Y106 HydrophobicContact CB-CG 3.85Å
60P92Very high93.4Very high65 Ų6541.3 Ų41.342%0.42220%0.199SC..SBendtrans-66.3-13.6175.6-21.334.9000114.1P35 K36P35-P60 HydrophobicContact CB-CG 4.08Å; P35-P60 HydrophobicContact CG-CB 4.28Å; P35-P60 HydrophobicContact CG-CG 3.99Å; K36-P60 WeakPolarHBondContact O-CG 3.42Å
61Q89.6Confident93.3Very high81 Ų8144.8 Ų44.838%0.37922%0.219SC..SBendtrans-151.7159.8-179.6-53.7174.837.900108.5A59 A63 R108A59-Q61 VanDerWaalsContact CB-O 3.23Å; A59-Q61 WeakPolarHBondContact CB-O 3.41Å; A59-Q61 PolarHBondContact O-N 3.43Å; Q61-A63 PolarHBondContact O-N 3.02Å; Q61-R108 VanDerWaalsContact OE1-CZ 3.26Å
62P90.3Very high92.9Very high64 Ų6447.3 Ų47.342%0.41625%0.252SS..  trans-56.8137.5178.6-24.733.3000111.1E85 R108P62-E85 HydrophobicContact CB-CG 4.48Å; P62-E85 HydrophobicContact CG-CG 3.89Å; P62-R108 PolarHBondContact O-NE 2.84Å; P62-R108 VanDerWaalsContact O-NE 3.08Å; P62-R108 PolarHBondContact O-NH2 2.69Å
63A87.6Confident92.4Very high9 Ų947 Ų477%0.07425%0.248CC..  trans-118174.7175.300000109.6Q61 F66 V82 S83 S84 Y106Q61-A63 PolarHBondContact O-N 3.02Å; A63-F66 HydrophobicContact CB-CD2 4.28Å; A63-F66 HydrophobicContact CB-CE2 3.67Å; A63-F66 HydrophobicContact CB-CZ 3.88Å; A63-V82 CarbonylContact C-O 3.58Å; A63-S83 WeakPolarHBondContact O-CA 3.49Å; A63-S84 PolarHBondContact N-O 3.3Å; A63-Y106 HydrophobicContact CB-CD2 3.63Å; A63-Y106 HydrophobicContact CB-CG 4.04Å
64W87.1Confident91.7Very high136 Ų13654.9 Ų54.952%0.51529%0.288SS..SBendtrans-103.1-38.9170.5-178-90.3000111D81 V82 R107 P109W64-D81 CarbonylContact O-C 3.48Å; W64-D81 WeakPolarHBondContact O-CA 3.43Å; W64-V82 CarbonylContact C-O 3.5Å; W64-V82 PolarHBondContact O-N 3.35Å; W64-R107 PolarHBondContact N-O 2.99Å; W64-P109 HydrophobicContact CB-CG 3.54Å; W64-P109 HydrophobicContact CD2-CG 4.23Å; W64-P109 HydrophobicContact CG-CG 3.8Å
65R94.2Very high91.1Very high68 Ų6856.7 Ų56.726%0.25731%0.306SS..EExtended strand (participates in β ladder)trans-130.2131.3-176.5-174167.7-74.4179.2-8.6110.6R80 D81 Y106 R107 W116R65-R80 WeakPolarHBondContact CA-O 3.43Å; R65-D81 WeakPolarHBondContact CB-OD1 3.34Å; R65-D81 WeakPolarHBondContact CG-OD1 3.26Å; R65-D81 IonicContact CZ-OD1 3.35Å; R65-D81 IonicContact CZ-OD2 3.59Å; R65-D81 IonicContact NE-OD1 2.69Å; R65-D81 PolarHBondContact NE-OD1 3.06Å; R65-D81 IonicContact NE-OD2 3.54Å; R65-D81 IonicContact NH2-OD1 3.18Å; R65-D81 PolarHBondContact NH2-OD1 3.28Å; R65-D81 IonicContact NH2-OD2 2.8Å; R65-D81 PolarHBondContact NH2-OD2 3.09Å; R65-Y106 CarbonylContact O-C 3.57Å; R65-Y106 VanDerWaalsContact O-CA 3.29Å; R65-Y106 WeakPolarHBondContact O-CA 2.95Å; R65-R107 PolarHBondContact N-O 3.31Å; R65-R107 VanDerWaalsContact N-O 3.09Å; R65-R107 VanDerWaalsContact NH1-NH2 3.19Å; R65-R107 PolarHBondContact O-N 3.36Å; R65-W116 HydrophobicContact CG-CH2 3.9Å; R65-W116 HydrophobicContact CG-CZ3 4.38Å
66F95.9Very high90.7Very high0 Ų058.6 Ų58.60%032%0.318CS..EExtended strand (participates in β ladder)trans-109.5143.3168.8-70.6-102000109.5C57 A59 A63 F79 R80 S84 A87 F89C57-F66 HydrophobicContact CB-CD1 4.14Å; A59-F66 HydrophobicContact CB-CE1 3.63Å; A59-F66 HydrophobicContact CB-CZ 3.68Å; A63-F66 HydrophobicContact CB-CD2 4.28Å; A63-F66 HydrophobicContact CB-CE2 3.67Å; A63-F66 HydrophobicContact CB-CZ 3.88Å; F66-F79 CarbonylContact O-C 3.48Å; F66-F79 WeakPolarHBondContact O-CA 3.44Å; F66-F79 WeakPolarHBondContact O-CB 3.24Å; F66-R80 PolarHBondContact N-O 3.49Å; F66-R80 PolarHBondContact O-N 2.92Å; F66-S84 WeakPolarHBondContact CE2-O 3.48Å; F66-A87 HydrophobicContact CB-CB 3.56Å; F66-A87 HydrophobicContact CD1-CB 3.88Å; F66-A87 HydrophobicContact CD2-CB 3.46Å; F66-A87 VanDerWaalsContact CD2-CB 3.46Å; F66-A87 HydrophobicContact CE1-CB 4.39Å; F66-A87 HydrophobicContact CE2-CB 4.03Å; F66-A87 HydrophobicContact CG-CB 3.36Å; F66-A87 HydrophobicContact CZ-CB 4.46Å; F66-F89 HydrophobicContact CB-CE2 4.25Å; F66-F89 HydrophobicContact CB-CZ 3.74Å
67G95.4Very high90.4Very high0 Ų059.1 Ų59.10%033%0.326CS..EExtended strand (participates in β ladder)trans-128.2132.8176.400000110.4F69 C104 C105G67-F69 WeakPolarHBondContact O-CD2 3.4Å; G67-F69 WeakPolarHBondContact O-CE2 3.3Å; G67-C104 WeakPolarHBondContact O-CA 3.48Å; G67-C105 PolarHBondContact N-O 2.81Å; G67-C105 PolarHBondContact O-N 3.44Å
68L96.4Very high90.3Very high0 Ų061.8 Ų61.80%034%0.339CS..EExtended strand (participates in β ladder)trans-102.1127.3172.1-17077.3000108.6L39 L55 P76 L77 L78 F89 Y102L39-L68 HydrophobicContact CD1-CD1 4.17Å; L39-L68 HydrophobicContact CD2-CD1 4.1Å; L55-L68 HydrophobicContact CD1-CD1 4.11Å; L55-L68 HydrophobicContact CD1-CD2 3.62Å; L55-L68 HydrophobicContact CD1-CG 4.49Å; L68-P76 CarbonylContact O-C 3.59Å; L68-P76 WeakPolarHBondContact O-CA 3.09Å; L68-L77 PolarHBondContact O-N 2.73Å; L68-L78 HydrophobicContact CB-CB 4.33Å; L68-L78 HydrophobicContact CD2-CD1 4.36Å; L68-L78 PolarHBondContact N-O 3Å; L68-L78 PolarHBondContact O-N 2.99Å; L68-F89 HydrophobicContact CB-CD1 4.21Å; L68-F89 HydrophobicContact CB-CD2 4.31Å; L68-F89 HydrophobicContact CB-CE1 4.14Å; L68-F89 HydrophobicContact CB-CE2 4.24Å; L68-F89 HydrophobicContact CB-CG 4.28Å; L68-F89 HydrophobicContact CB-CZ 4.14Å; L68-F89 HydrophobicContact CD1-CD2 4.42Å; L68-F89 HydrophobicContact CD2-CB 4.33Å; L68-F89 HydrophobicContact CD2-CG 4.41Å; L68-Y102 HydrophobicContact CD1-CD1 4.31Å; L68-Y102 HydrophobicContact CD2-CD1 3.68Å; L68-Y102 HydrophobicContact CD2-CE1 4.02Å; L68-Y102 HydrophobicContact CG-CD1 3.9Å
69F94.4Very high90.1Very high25 Ų2560.4 Ų60.411%0.1134%0.337CS..EExtended strand (participates in β ladder)trans-121.8144-173-64.5-97.4000110.8G67 P76 Y102 R103 C105 W116G67-F69 WeakPolarHBondContact O-CD2 3.4Å; G67-F69 WeakPolarHBondContact O-CE2 3.3Å; F69-P76 HydrophobicContact CD1-CB 4.32Å; F69-P76 HydrophobicContact CE1-CB 3.89Å; F69-P76 HydrophobicContact CE1-CG 4.4Å; F69-P76 HydrophobicContact CE2-CB 4.12Å; F69-P76 HydrophobicContact CZ-CB 3.78Å; F69-P76 HydrophobicContact CZ-CG 4.29Å; F69-Y102 WeakPolarHBondContact O-CA 3.4Å; F69-R103 PolarHBondContact N-O 3.48Å; F69-R103 PolarHBondContact O-N 2.86Å; F69-C105 HydrophobicContact CD2-CB 4.37Å; F69-C105 HydrophobicContact CE2-CB 3.85Å; F69-W116 HydrophobicContact CZ-CD2 4.29Å; F69-W116 HydrophobicContact CZ-CZ2 4.28Å
70K91.9Very high90.1Very high47 Ų4766.8 Ų66.820%0.20436%0.361CS..  trans-97.8154.2164.4-80.8-167.8169.6-164.50110.6G72 E73 L77 Y102K70-G72 PolarHBondContact O-N 2.93Å; K70-E73 HydrophobicContact CB-CG 4.4Å; K70-E73 PolarHBondContact O-N 2.75Å; K70-L77 HydrophobicContact CD-CD2 4.36Å; K70-L77 HydrophobicContact CG-CD2 4.36Å; K70-Y102 HydrophobicContact CD-CE1 4.36Å; K70-Y102 WeakPolarHBondContact CE-OH 3.27Å; K70-Y102 HydrophobicContact CG-CD1 4.16Å; K70-Y102 HydrophobicContact CG-CE1 3.92Å; K70-Y102 PolarHBondContact NZ-OH 3.43Å
71P85.4Confident90.1Very high87 Ų8767.1 Ų67.157%0.56536%0.359SS*.THydrogen-bonded Turntrans-53.2135175.8-24.430.1000112.2E73 S101P71-E73 PolarHBondContact O-N 3.04Å; P71-S101 WeakPolarHBondContact CD-O 3.26Å
72G80.1Confident90.3Very high88 Ų8865.4 Ų65.491%0.90735%0.354SS*.THydrogen-bonded Turntrans80.6-6.2178.300000115.1K70K70-G72 PolarHBondContact O-N 2.93Å
73E84.6Confident90.3Very high91 Ų9166.8 Ų66.843%0.42537%0.365SS..  trans-94.3128.6175.7-65.1-175-156.800111.6K70 P71K70-E73 HydrophobicContact CB-CG 4.4Å; K70-E73 PolarHBondContact O-N 2.75Å; P71-E73 PolarHBondContact O-N 3.04Å
74I79.5Confident90.5Very high166 Ų16668.6 Ų68.685%0.85138%0.377SS*.SBendtrans-82.6-30.6175.7-54.4173.3000110.5
75A86Confident90.9Very high66 Ų6666.4 Ų66.455%0.54537%0.373SS..SBendtrans-91.1147.1177.200000110.6L77A75-L77 PolarHBondContact O-N 3.36Å
76P87.8Confident91Very high39 Ų3965.2 Ų65.225%0.25337%0.371SS..  trans-69.9132.5173.428.4-32.4000110.1L68 F69 L78 F79L68-P76 CarbonylContact O-C 3.59Å; L68-P76 WeakPolarHBondContact O-CA 3.09Å; F69-P76 HydrophobicContact CD1-CB 4.32Å; F69-P76 HydrophobicContact CE1-CB 3.89Å; F69-P76 HydrophobicContact CE1-CG 4.4Å; F69-P76 HydrophobicContact CE2-CB 4.12Å; F69-P76 HydrophobicContact CZ-CB 3.78Å; F69-P76 HydrophobicContact CZ-CG 4.29Å; P76-L78 VanDerWaalsContact C-N 3.28Å; P76-L78 PolarHBondContact O-N 3.43Å; P76-F79 HydrophobicContact CG-CB 4.34Å
77L92.1Very high91Very high76 Ų7665.2 Ų65.240%0.39837%0.372SS..SBendtrans-59.7-43.8171.2178.871.1000110.5L68 K70 A75 Y102L68-L77 PolarHBondContact O-N 2.73Å; K70-L77 HydrophobicContact CD-CD2 4.36Å; K70-L77 HydrophobicContact CG-CD2 4.36Å; A75-L77 PolarHBondContact O-N 3.36Å; L77-Y102 HydrophobicContact CD2-CE1 3.86Å
78L93.7Very high91.1Very high55 Ų5568.3 Ų68.329%0.28839%0.386SS..EExtended strand (participates in β ladder)trans-135.5142.3175.9-63.9174.1000109.1L68 P76 F89 L91L68-L78 HydrophobicContact CB-CB 4.33Å; L68-L78 HydrophobicContact CD2-CD1 4.36Å; L68-L78 PolarHBondContact N-O 3Å; L68-L78 PolarHBondContact O-N 2.99Å; P76-L78 VanDerWaalsContact C-N 3.28Å; P76-L78 PolarHBondContact O-N 3.43Å; L78-F89 HydrophobicContact CB-CD1 3.69Å; L78-F89 HydrophobicContact CB-CE1 4.1Å; L78-F89 HydrophobicContact CD1-CB 4.26Å; L78-F89 HydrophobicContact CD1-CD1 4.42Å; L78-L91 HydrophobicContact CD1-CD2 3.89Å
79F93.5Very high91.1Very high103 Ų10368.5 Ų68.545%0.45239%0.387SS..EExtended strand (participates in β ladder)trans-132.6151.417067.1-88.1000110.6F66 P76F66-F79 CarbonylContact O-C 3.48Å; F66-F79 WeakPolarHBondContact O-CA 3.44Å; F66-F79 WeakPolarHBondContact O-CB 3.24Å; P76-F79 HydrophobicContact CG-CB 4.34Å
80R94.4Very high91.2Very high136 Ų13673.2 Ų73.251%0.51341%0.407SS..EExtended strand (participates in β ladder)trans-135133.2176.6-71.5-69.694.4151.15.2108.8R65 F66 V82 A87 F89R65-R80 WeakPolarHBondContact CA-O 3.43Å; F66-R80 PolarHBondContact N-O 3.49Å; F66-R80 PolarHBondContact O-N 2.92Å; R80-V82 HydrophobicContact CB-CG2 4.02Å; R80-A87 HydrophobicContact CB-CB 4.46Å; R80-F89 HydrophobicContact CB-CE1 4.11Å; R80-F89 HydrophobicContact CB-CZ 4.49Å; R80-F89 HydrophobicContact CG-CD1 3.87Å; R80-F89 HydrophobicContact CG-CE1 3.72Å; R80-F89 HydrophobicContact CG-CZ 4.45Å
81D93.2Very high91.3Very high73 Ų7371.6 Ų71.639%0.3940%0.401SS..EExtended strand (participates in β ladder)trans-93.3112.3170.4-70.7-53.8000108.3W64 R65W64-D81 CarbonylContact O-C 3.48Å; W64-D81 WeakPolarHBondContact O-CA 3.43Å; R65-D81 WeakPolarHBondContact CB-OD1 3.34Å; R65-D81 WeakPolarHBondContact CG-OD1 3.26Å; R65-D81 IonicContact CZ-OD1 3.35Å; R65-D81 IonicContact CZ-OD2 3.59Å; R65-D81 IonicContact NE-OD1 2.69Å; R65-D81 PolarHBondContact NE-OD1 3.06Å; R65-D81 IonicContact NE-OD2 3.54Å; R65-D81 IonicContact NH2-OD1 3.18Å; R65-D81 PolarHBondContact NH2-OD1 3.28Å; R65-D81 IonicContact NH2-OD2 2.8Å; R65-D81 PolarHBondContact NH2-OD2 3.09Å
82V92.4Very high91.6Very high44 Ų4474.5 Ų74.527%0.26741%0.407SS..  trans-144.5125.9-176.2-170.90000107.8A63 W64 R80 S84 A87A63-V82 CarbonylContact C-O 3.58Å; W64-V82 CarbonylContact C-O 3.5Å; W64-V82 PolarHBondContact O-N 3.35Å; R80-V82 HydrophobicContact CB-CG2 4.02Å; V82-S84 WeakPolarHBondContact CG1-OG 3.36Å; V82-S84 PolarHBondContact O-N 3.46Å; V82-S84 VanDerWaalsContact O-N 3.16Å; V82-A87 HydrophobicContact CG2-CB 4.26Å
83S90.2Very high91.9Very high94 Ų9473 Ų7366%0.65738%0.376SS*.SBendtrans-82.628.9178.253.40000113.6A63A63-S83 WeakPolarHBondContact O-CA 3.49Å
84S92.8Very high92.2Very high46 Ų4668.6 Ų68.632%0.32236%0.356SS..SBendtrans-126.6176.6-175.8940000111A63 F66 V82 L86A63-S84 PolarHBondContact N-O 3.3Å; F66-S84 WeakPolarHBondContact CE2-O 3.48Å; V82-S84 WeakPolarHBondContact CG1-OG 3.36Å; V82-S84 PolarHBondContact O-N 3.46Å; V82-S84 VanDerWaalsContact O-N 3.16Å; S84-L86 VanDerWaalsContact C-N 3.27Å; S84-L86 PolarHBondContact OG-N 3.45Å; S84-L86 VanDerWaalsContact OG-N 3.08Å; S84-L86 PolarHBondContact OG-O 3.06Å
85E94.9Very high92.5Very high91 Ų9163 Ų6343%0.42533%0.329SS..SBendtrans-77.2-13.9175-66.4-179176.400113R58 A59 P62R58-E85 CarbonylContact C-O 3.43Å; R58-E85 VanDerWaalsContact CA-O 3.24Å; R58-E85 WeakPolarHBondContact CA-O 3.26Å; A59-E85 PolarHBondContact N-O 3.22Å; P62-E85 HydrophobicContact CB-CG 4.48Å; P62-E85 HydrophobicContact CG-CG 3.89Å
86L96.4Very high92.4Very high42 Ų4261.3 Ų61.322%0.2231%0.313CS..EExtended strand (participates in β ladder)trans-122.1129.3-173.7-175.470.6000110.9R56 C57 R58 S84 E88R56-L86 HydrophobicContact CB-CD1 4.23Å; C57-L86 WeakPolarHBondContact O-CA 3.39Å; R58-L86 HydrophobicContact CB-CD1 4.11Å; S84-L86 VanDerWaalsContact C-N 3.27Å; S84-L86 PolarHBondContact OG-N 3.45Å; S84-L86 VanDerWaalsContact OG-N 3.08Å; S84-L86 PolarHBondContact OG-O 3.06Å; L86-E88 HydrophobicContact CG-CG 4.47Å
87A96.9Very high92.2Very high1 Ų163.8 Ų63.81%0.00834%0.336CS..EExtended strand (participates in β ladder)trans-119.3142.9166.200000110.6C57 F66 R80 V82 F89C57-A87 PolarHBondContact N-O 3.44Å; C57-A87 PolarHBondContact O-N 2.93Å; F66-A87 HydrophobicContact CB-CB 3.56Å; F66-A87 HydrophobicContact CD1-CB 3.88Å; F66-A87 HydrophobicContact CD2-CB 3.46Å; F66-A87 VanDerWaalsContact CD2-CB 3.46Å; F66-A87 HydrophobicContact CE1-CB 4.39Å; F66-A87 HydrophobicContact CE2-CB 4.03Å; F66-A87 HydrophobicContact CG-CB 3.36Å; F66-A87 HydrophobicContact CZ-CB 4.46Å; R80-A87 HydrophobicContact CB-CB 4.46Å; V82-A87 HydrophobicContact CG2-CB 4.26Å; A87-F89 HydrophobicContact CB-CE2 4.23Å; A87-F89 HydrophobicContact CB-CZ 4.45Å
88E97.1Very high92Very high65 Ų6563.1 Ų63.130%0.30433%0.331SS..EExtended strand (participates in β ladder)trans-117.2128.1178.8-60.8-173.1155.600109.3T54 L55 R56 L86 F90T54-E88 HydrophobicContact CG2-CB 3.9Å; T54-E88 HydrophobicContact CG2-CG 4.32Å; L55-E88 WeakPolarHBondContact O-CA 3.44Å; R56-E88 HydrophobicContact CG-CG 4.28Å; R56-E88 IonicContact CZ-OE1 2.79Å; R56-E88 IonicContact NE-OE1 3.82Å; R56-E88 PolarHBondContact NE-OE1 2.98Å; R56-E88 IonicContact NH2-OE1 2.76Å; R56-E88 PolarHBondContact NH2-OE1 3.48Å; L86-E88 HydrophobicContact CG-CG 4.47Å; E88-F90 HydrophobicContact CB-CE2 4.05Å; E88-F90 HydrophobicContact CB-CZ 3.93Å
89F96.6Very high91.9Very high4 Ų461.5 Ų61.52%0.01833%0.327CS..EExtended strand (participates in β ladder)trans-112.7116.2176.4-58.1-85.6000108.3T54 L55 C57 F66 L68 L78 R80 A87T54-F89 WeakPolarHBondContact CA-O 3.36Å; L55-F89 HydrophobicContact CB-CB 4.26Å; L55-F89 PolarHBondContact N-O 3.3Å; L55-F89 PolarHBondContact O-N 2.99Å; C57-F89 HydrophobicContact CB-CE2 4.03Å; F66-F89 HydrophobicContact CB-CE2 4.25Å; F66-F89 HydrophobicContact CB-CZ 3.74Å; L68-F89 HydrophobicContact CB-CD1 4.21Å; L68-F89 HydrophobicContact CB-CD2 4.31Å; L68-F89 HydrophobicContact CB-CE1 4.14Å; L68-F89 HydrophobicContact CB-CE2 4.24Å; L68-F89 HydrophobicContact CB-CG 4.28Å; L68-F89 HydrophobicContact CB-CZ 4.14Å; L68-F89 HydrophobicContact CD1-CD2 4.42Å; L68-F89 HydrophobicContact CD2-CB 4.33Å; L68-F89 HydrophobicContact CD2-CG 4.41Å; L78-F89 HydrophobicContact CB-CD1 3.69Å; L78-F89 HydrophobicContact CB-CE1 4.1Å; L78-F89 HydrophobicContact CD1-CB 4.26Å; L78-F89 HydrophobicContact CD1-CD1 4.42Å; R80-F89 HydrophobicContact CB-CE1 4.11Å; R80-F89 HydrophobicContact CB-CZ 4.49Å; R80-F89 HydrophobicContact CG-CD1 3.87Å; R80-F89 HydrophobicContact CG-CE1 3.72Å; R80-F89 HydrophobicContact CG-CZ 4.45Å; A87-F89 HydrophobicContact CB-CE2 4.23Å; A87-F89 HydrophobicContact CB-CZ 4.45Å
90F95.5Very high91.9Very high124 Ų12458 Ų5854%0.54432%0.32SS..EExtended strand (participates in β ladder)trans-92.7124.1-177.9-60.1-79.4000110.3T54 E88T54-F90 HydrophobicContact CG2-CD1 3.82Å; T54-F90 HydrophobicContact CG2-CE1 3.54Å; T54-F90 HydrophobicContact CG2-CZ 4.17Å; T54-F90 VanDerWaalsContact OG1-CD1 3.31Å; T54-F90 WeakPolarHBondContact OG1-CD1 3.42Å; T54-F90 WeakPolarHBondContact OG1-CE1 3.38Å; E88-F90 HydrophobicContact CB-CE2 4.05Å; E88-F90 HydrophobicContact CB-CZ 3.93Å
91L93.8Very high92Very high12 Ų1253 Ų536%0.06331%0.306CS..EExtended strand (participates in β ladder)trans-106.7106.3169.8-53.8179000107.3N52 V53 L55 L78 V94 L125N52-L91 WeakPolarHBondContact CA-O 3.43Å; V53-L91 HydrophobicContact CB-CB 4.39Å; V53-L91 PolarHBondContact N-O 2.95Å; V53-L91 PolarHBondContact O-N 3.29Å; L55-L91 HydrophobicContact CD1-CD1 3.85Å; L55-L91 HydrophobicContact CD1-CG 4.49Å; L55-L91 HydrophobicContact CG-CD1 4.18Å; L78-L91 HydrophobicContact CD1-CD2 3.89Å; L91-V94 HydrophobicContact CB-CG1 3.65Å; L91-L125 HydrophobicContact CD1-CD2 3.83Å
92E91.3Very high92.1Very high149 Ų14949.6 Ų49.670%0.69629%0.288SS*.  trans-83.8141.7-179.6-66-176.7177.700111.4V94E92-V94 PolarHBondContact O-N 3.34Å
93E88.2Confident92.3Very high55 Ų5552.3 Ų52.326%0.25729%0.293SS..SBendtrans4356.6175-64.6-178.4-161.500112.5N52 T95 L158 R159N52-E93 PolarHBondContact OD1-N 3.4Å; E93-T95 PolarHBondContact O-N 3.01Å; E93-L158 HydrophobicContact CB-CD2 4.2Å; E93-R159 IonicContact OE1-CZ 3.76Å; E93-R159 IonicContact OE1-NE 2.74Å; E93-R159 PolarHBondContact OE1-NE 2.81Å; E93-R159 IonicContact OE1-NH2 3.65Å; E93-R159 IonicContact OE2-NE 2.68Å
94V89.9Confident92.6Very high0 Ų047.8 Ų47.80%026%0.262CS..  trans-56.7140.6-166.5-60.10000113.1V47 P49 G50 V51 V53 L91 E92 Q98 V127V47-V94 HydrophobicContact CG2-CG2 3.81Å; P49-V94 CarbonylContact C-O 3.53Å; P49-V94 WeakPolarHBondContact CA-O 3.41Å; G50-V94 PolarHBondContact N-O 2.89Å; V51-V94 VanDerWaalsContact O-CG2 3.3Å; V51-V94 WeakPolarHBondContact O-CG2 3.34Å; V51-V94 PolarHBondContact O-N 3.01Å; V51-V94 VanDerWaalsContact O-N 3.14Å; V53-V94 HydrophobicContact CB-CG1 4.08Å; V53-V94 HydrophobicContact CG2-CG1 3.87Å; V53-V94 HydrophobicContact CG2-CG2 4.25Å; L91-V94 HydrophobicContact CB-CG1 3.65Å; E92-V94 PolarHBondContact O-N 3.34Å; V94-Q98 VanDerWaalsContact CA-OE1 3.27Å; V94-V127 HydrophobicContact CB-CG2 4.46Å; V94-V127 HydrophobicContact CG2-CG1 4.29Å; V94-V127 HydrophobicContact CG2-CG2 4.09Å
95T86.1Confident92.7Very high48 Ų4846.2 Ų46.229%0.29425%0.251SS..  trans-109.3158.317959.80000111E93 A97 Q98E93-T95 PolarHBondContact O-N 3.01Å; T95-A97 PolarHBondContact O-N 2.89Å; T95-A97 VanDerWaalsContact O-N 3.14Å; T95-Q98 WeakPolarHBondContact O-CB 3.36Å; T95-Q98 PolarHBondContact O-N 2.96Å; T95-Q98 PolarHBondContact OG1-OE1 3.5Å
96P84.6Confident92.6Very high31 Ų3142 Ų4220%0.20123%0.231CC..G310 helixtrans-51.6-37.1175.3-28.936.4000113.4P49 Q98 G99 V127P49-P96 HydrophobicContact CG-CG 4.07Å; P96-Q98 PolarHBondContact O-N 3.39Å; P96-G99 PolarHBondContact O-N 2.87Å; P96-V127 HydrophobicContact CG-CG1 4.44Å
97A83.3Confident92.4Very high90 Ų9042.6 Ų42.674%0.74423%0.231SC*.G310 helixtrans-65.4-20.8177.200000114.5T95 G99T95-A97 PolarHBondContact O-N 2.89Å; T95-A97 VanDerWaalsContact O-N 3.14Å; A97-G99 VanDerWaalsContact C-N 3.32Å
98Q88.2Confident92Very high63 Ų6345.2 Ų45.229%0.29424%0.24SC..G310 helixtrans-85.6-5.5174.6-71.5167-48.900112.6V94 T95 P96 Y102V94-Q98 VanDerWaalsContact CA-OE1 3.27Å; T95-Q98 WeakPolarHBondContact O-CB 3.36Å; T95-Q98 PolarHBondContact O-N 2.96Å; T95-Q98 PolarHBondContact OG1-OE1 3.5Å; P96-Q98 PolarHBondContact O-N 3.39Å; Q98-Y102 PolarHBondContact O-OH 3.33Å
99G90.9Very high91.6Very high20 Ų2046.6 Ų46.621%0.20626%0.255CS..  trans-62166.917000000113.3P96 A97 L125P96-G99 PolarHBondContact O-N 2.87Å; A97-G99 VanDerWaalsContact C-N 3.32Å; G99-L125 CarbonylContact C-O 3.51Å; G99-L125 VanDerWaalsContact CA-O 3.24Å; G99-L125 WeakPolarHBondContact CA-O 3.29Å
100G93.4Very high91.1Very high29 Ų2952.1 Ų52.130%0.29929%0.285SS..EExtended strand (participates in β ladder)trans118.8-166.4175.300000114Y102 L125G100-Y102 WeakPolarHBondContact O-CD2 3.28Å; G100-L125 PolarHBondContact N-O 3.28Å; G100-L125 PolarHBondContact O-N 3.02Å
101S95.5Very high90.8Very high32 Ų3247.9 Ų47.922%0.22427%0.265CS..EExtended strand (participates in β ladder)trans-81.3137.7-174.4-37.90000112.4P71 L123 E124P71-S101 WeakPolarHBondContact CD-O 3.26Å; S101-L123 CarbonylContact C-O 3.4Å; S101-L123 WeakPolarHBondContact CA-O 3.35Å; S101-E124 WeakPolarHBondContact CB-OE1 3.28Å; S101-E124 PolarHBondContact N-OE2 3.39Å; S101-E124 PolarHBondContact OG-OE1 3.18Å; S101-E124 PolarHBondContact OG-OE2 2.98Å; S101-E124 VanDerWaalsContact OG-OE2 3.09Å
102Y96.4Very high90.2Very high2 Ų249 Ų491%0.00828%0.28CS..EExtended strand (participates in β ladder)trans-127.5145174.1-69.3-88.8000110.8L55 L68 F69 K70 L77 Q98 G100 L123 L125L55-Y102 HydrophobicContact CD1-CD1 4.19Å; L55-Y102 HydrophobicContact CD1-CD2 4.42Å; L55-Y102 HydrophobicContact CD1-CG 4.12Å; L68-Y102 HydrophobicContact CD1-CD1 4.31Å; L68-Y102 HydrophobicContact CD2-CD1 3.68Å; L68-Y102 HydrophobicContact CD2-CE1 4.02Å; L68-Y102 HydrophobicContact CG-CD1 3.9Å; F69-Y102 WeakPolarHBondContact O-CA 3.4Å; K70-Y102 HydrophobicContact CD-CE1 4.36Å; K70-Y102 WeakPolarHBondContact CE-OH 3.27Å; K70-Y102 HydrophobicContact CG-CD1 4.16Å; K70-Y102 HydrophobicContact CG-CE1 3.92Å; K70-Y102 PolarHBondContact NZ-OH 3.43Å; L77-Y102 HydrophobicContact CD2-CE1 3.86Å; Q98-Y102 PolarHBondContact O-OH 3.33Å; G100-Y102 WeakPolarHBondContact O-CD2 3.28Å; Y102-L123 PolarHBondContact N-O 3.4Å; Y102-L123 PolarHBondContact O-N 2.71Å; Y102-L125 HydrophobicContact CD2-CB 4.06Å; Y102-L125 HydrophobicContact CE2-CB 3.93Å; Y102-L125 HydrophobicContact CE2-CD2 4.07Å
103R96.4Very high89.8Confident100 Ų10048 Ų4838%0.37729%0.286SS..EExtended strand (participates in β ladder)trans-130.1147.8170.8-69.1178.3178.3-90.78.4109.8F69 P119 S120 V122F69-R103 PolarHBondContact N-O 3.48Å; F69-R103 PolarHBondContact O-N 2.86Å; R103-P119 HydrophobicContact CB-CB 4.38Å; R103-S120 PolarHBondContact NH1-O 2.86Å; R103-V122 HydrophobicContact CG-CG2 4.23Å
104C95.9Very high89.5Confident0 Ų048.1 Ų48.10%030%0.302CS..EExtended strand (participates in β ladder)trans-112.7140.4173.5-177.90000111.1P37 L39 C57 G67 S120P37-C104 HydrophobicContact CG-CB 4.46Å; P37-C104 VanDerWaalsContact CG-O 3.23Å; P37-C104 WeakPolarHBondContact CG-O 3.48Å; L39-C104 HydrophobicContact CB-CB 4.25Å; L39-C104 HydrophobicContact CD1-CB 4.12Å; L39-C104 HydrophobicContact CD2-CB 4.21Å; L39-C104 HydrophobicContact CG-CB 4.43Å; C57-C104 HydrophobicContact CB-CB 3.76Å; C57-C104 WeakPolarHBondContact CB-SG 3.49Å; C57-C104 WeakPolarHBondContact SG-CB 3.49Å; C57-C104 CovalentContact SG-SG 2Å; C57-C104 PolarHBondContact SG-SG 3.05Å; G67-C104 WeakPolarHBondContact O-CA 3.48Å; C104-S120 PolarHBondContact N-OG 3.03Å; C104-S120 PolarHBondContact O-N 2.84Å
105C94.9Very high89.4Confident13 Ų1350.9 Ų50.99%0.08832%0.318CS..EExtended strand (participates in β ladder)trans-127.7158.6166-52.80000109.3G67 F69 W116G67-C105 PolarHBondContact N-O 2.81Å; G67-C105 PolarHBondContact O-N 3.44Å; F69-C105 HydrophobicContact CD2-CB 4.37Å; F69-C105 HydrophobicContact CE2-CB 3.85Å; C105-W116 HydrophobicContact CB-CB 4.1Å; C105-W116 HydrophobicContact CB-CD2 4.36Å; C105-W116 HydrophobicContact CB-CE3 3.86Å; C105-W116 HydrophobicContact CB-CG 4.49Å
106Y94.1Very high89.7Confident2 Ų251.7 Ų51.71%0.00832%0.316CS..EExtended strand (participates in β ladder)trans-125.6161.9170.468.8-87.8000110.7P35 P37 A59 A63 R65 W111 S117P35-Y106 WeakPolarHBondContact O-CE1 3.49Å; P35-Y106 PolarHBondContact O-OH 3.02Å; P37-Y106 HydrophobicContact CB-CD1 3.92Å; P37-Y106 HydrophobicContact CB-CE1 4.23Å; P37-Y106 HydrophobicContact CG-CD1 3.96Å; P37-Y106 HydrophobicContact CG-CE1 4.37Å; A59-Y106 HydrophobicContact CB-CD1 3.63Å; A59-Y106 HydrophobicContact CB-CD2 4.28Å; A59-Y106 HydrophobicContact CB-CE1 3.87Å; A59-Y106 HydrophobicContact CB-CE2 4.47Å; A59-Y106 HydrophobicContact CB-CG 3.85Å; A63-Y106 HydrophobicContact CB-CD2 3.63Å; A63-Y106 HydrophobicContact CB-CG 4.04Å; R65-Y106 CarbonylContact O-C 3.57Å; R65-Y106 VanDerWaalsContact O-CA 3.29Å; R65-Y106 WeakPolarHBondContact O-CA 2.95Å; Y106-W111 AromaticContact CD2-CH2 3.93Å; Y106-W111 HydrophobicContact CD2-CH2 3.93Å; Y106-W111 HydrophobicContact CD2-CZ3 4.38Å; Y106-W111 AromaticContact CE2-CH2 3.42Å; Y106-W111 HydrophobicContact CE2-CH2 3.42Å; Y106-W111 VanDerWaalsContact CE2-CH2 3.42Å; Y106-W111 HydrophobicContact CE2-CZ2 4Å; Y106-W111 HydrophobicContact CE2-CZ3 4.28Å; Y106-W111 WeakPolarHBondContact O-CZ3 3.48Å; Y106-S117 VanDerWaalsContact CD1-OG 3.29Å; Y106-S117 WeakPolarHBondContact CD1-OG 3.2Å; Y106-S117 VanDerWaalsContact CE1-CB 3.41Å; Y106-S117 PolarHBondContact N-OG 2.68Å; Y106-S117 WeakPolarHBondContact O-CB 3.44Å; Y106-S117 PolarHBondContact O-N 3.03Å; Y106-S117 PolarHBondContact O-OG 2.8Å
107R91.7Very high90.1Very high55 Ų5550.6 Ų50.621%0.20831%0.309CS..EExtended strand (participates in β ladder)trans-139.7141.7178.5179-178.676.9155.77.6109.9W64 R65 W111 V115 W116W64-R107 PolarHBondContact N-O 2.99Å; R65-R107 PolarHBondContact N-O 3.31Å; R65-R107 VanDerWaalsContact N-O 3.09Å; R65-R107 VanDerWaalsContact NH1-NH2 3.19Å; R65-R107 PolarHBondContact O-N 3.36Å; R107-W111 HydrophobicContact CB-CE3 4.47Å; R107-W111 HydrophobicContact CG-CE3 4.24Å; R107-V115 VanDerWaalsContact CD-O 3.27Å; R107-V115 WeakPolarHBondContact CD-O 3.49Å; R107-V115 WeakPolarHBondContact CG-O 3.37Å; R107-W116 HydrophobicContact CB-CD2 4.13Å; R107-W116 HydrophobicContact CB-CE3 3.68Å; R107-W116 HydrophobicContact CB-CH2 4.41Å; R107-W116 HydrophobicContact CB-CZ3 3.83Å
108R89.5Confident90.5Very high55 Ų5550.3 Ų50.321%0.20829%0.292CS..  trans-104.3156.2171.3-58.5-174.4152.7171.3-6112.5Q61 P62 D110 W111Q61-R108 VanDerWaalsContact OE1-CZ 3.26Å; P62-R108 PolarHBondContact O-NE 2.84Å; P62-R108 VanDerWaalsContact O-NE 3.08Å; P62-R108 PolarHBondContact O-NH2 2.69Å; R108-D110 VanDerWaalsContact C-N 3.27Å; R108-D110 WeakPolarHBondContact CB-OD1 3.46Å; R108-D110 PolarHBondContact O-N 2.91Å; R108-W111 HydrophobicContact CB-CD2 4.11Å; R108-W111 HydrophobicContact CB-CG 4.16Å; R108-W111 HydrophobicContact CB-CZ2 4.49Å; R108-W111 HydrophobicContact CG-CD2 4.44Å; R108-W111 HydrophobicContact CG-CZ2 3.96Å; R108-W111 WeakPolarHBondContact O-CB 3.3Å; R108-W111 PolarHBondContact O-N 3.02Å
109P86.8Confident90.8Very high95 Ų9550.2 Ų50.262%0.61730%0.298SS*.THydrogen-bonded Turntrans-66.9-27.1-179.5-19.634.1000113.8W64 W111W64-P109 HydrophobicContact CB-CG 3.54Å; W64-P109 HydrophobicContact CD2-CG 4.23Å; W64-P109 HydrophobicContact CG-CG 3.8Å; P109-W111 PolarHBondContact O-N 2.91Å
110D87.8Confident91.1Very high120 Ų12049.3 Ų49.364%0.64229%0.288SS*.THydrogen-bonded Turntrans-73-13.8176.958.6-57000113R108R108-D110 VanDerWaalsContact C-N 3.27Å; R108-D110 WeakPolarHBondContact CB-OD1 3.46Å; R108-D110 PolarHBondContact O-N 2.91Å
111W87.4Confident91.1Very high35 Ų3552.7 Ų52.713%0.13330%0.299CS..SBendtrans-82.6147.8176.5-58.7-1.7000110.4H34 Y106 R107 R108 P109 V115H34-W111 HydrophobicContact CB-CH2 3.77Å; H34-W111 HydrophobicContact CB-CZ2 4.2Å; H34-W111 HydrophobicContact CB-CZ3 4.35Å; H34-W111 AromaticContact CE1-CD2 3.92Å; H34-W111 AromaticContact CE1-CE2 3.54Å; H34-W111 AromaticContact CE1-CZ2 3.79Å; H34-W111 AromaticContact CE1-NE1 3.75Å; H34-W111 AromaticContact CG-CH2 3.7Å; H34-W111 AromaticContact CG-CZ2 3.8Å; H34-W111 AromaticContact ND1-CE2 3.38Å; H34-W111 AromaticContact ND1-CH2 3.53Å; H34-W111 AromaticContact ND1-CZ2 3.11Å; H34-W111 WeakPolarHBondContact ND1-CZ2 3.33Å; H34-W111 AromaticContact ND1-NE1 3.9Å; Y106-W111 AromaticContact CD2-CH2 3.93Å; Y106-W111 HydrophobicContact CD2-CH2 3.93Å; Y106-W111 HydrophobicContact CD2-CZ3 4.38Å; Y106-W111 AromaticContact CE2-CH2 3.42Å; Y106-W111 HydrophobicContact CE2-CH2 3.42Å; Y106-W111 VanDerWaalsContact CE2-CH2 3.42Å; Y106-W111 HydrophobicContact CE2-CZ2 4Å; Y106-W111 HydrophobicContact CE2-CZ3 4.28Å; Y106-W111 WeakPolarHBondContact O-CZ3 3.48Å; R107-W111 HydrophobicContact CB-CE3 4.47Å; R107-W111 HydrophobicContact CG-CE3 4.24Å; R108-W111 HydrophobicContact CB-CD2 4.11Å; R108-W111 HydrophobicContact CB-CG 4.16Å; R108-W111 HydrophobicContact CB-CZ2 4.49Å; R108-W111 HydrophobicContact CG-CD2 4.44Å; R108-W111 HydrophobicContact CG-CZ2 3.96Å; R108-W111 WeakPolarHBondContact O-CB 3.3Å; R108-W111 PolarHBondContact O-N 3.02Å; P109-W111 PolarHBondContact O-N 2.91Å; W111-V115 HydrophobicContact CB-CB 4.25Å; W111-V115 HydrophobicContact CB-CG1 4.39Å; W111-V115 HydrophobicContact CE3-CG1 4.35Å
112G82.6Confident91.2Very high36 Ų3654.1 Ų54.137%0.37131%0.306SS..PPolyproline II helixtrans-55.3156.8175.400000112.8G114 V115G112-G114 PolarHBondContact O-N 2.92Å; G112-V115 WeakPolarHBondContact O-CB 3.29Å; G112-V115 WeakPolarHBondContact O-CG2 3.17Å; G112-V115 PolarHBondContact O-N 2.84Å; G112-V115 VanDerWaalsContact O-N 3.13Å
113P83.3Confident91.2Very high127 Ų12754.7 Ų54.783%0.82531%0.309SS*.THydrogen-bonded Turntrans-58.2135.9178.825.9-34.1000110.6V115P113-V115 PolarHBondContact O-N 2.98Å
114G80.6Confident91.2Very high57 Ų5754.1 Ų54.159%0.58831%0.311SS*.THydrogen-bonded Turntrans76.3-2.4-179.200000115.8G112 W116G112-G114 PolarHBondContact O-N 2.92Å; G114-W116 VanDerWaalsContact O-CD1 3.28Å
115V88.9Confident91.3Very high58 Ų5854.2 Ų54.235%0.35231%0.311SS..  trans-81.7129.2176.2-177.50000110.1R107 W111 G112 P113R107-V115 VanDerWaalsContact CD-O 3.27Å; R107-V115 WeakPolarHBondContact CD-O 3.49Å; R107-V115 WeakPolarHBondContact CG-O 3.37Å; W111-V115 HydrophobicContact CB-CB 4.25Å; W111-V115 HydrophobicContact CB-CG1 4.39Å; W111-V115 HydrophobicContact CE3-CG1 4.35Å; G112-V115 WeakPolarHBondContact O-CB 3.29Å; G112-V115 WeakPolarHBondContact O-CG2 3.17Å; G112-V115 PolarHBondContact O-N 2.84Å; G112-V115 VanDerWaalsContact O-N 3.13Å; P113-V115 PolarHBondContact O-N 2.98Å
116W91.3Very high91.2Very high65 Ų6558.1 Ų58.125%0.24633%0.331CS..  trans-125162.4178.8-68.994.3000110.7R65 F69 C105 R107 G114R65-W116 HydrophobicContact CG-CH2 3.9Å; R65-W116 HydrophobicContact CG-CZ3 4.38Å; F69-W116 HydrophobicContact CZ-CD2 4.29Å; F69-W116 HydrophobicContact CZ-CZ2 4.28Å; C105-W116 HydrophobicContact CB-CB 4.1Å; C105-W116 HydrophobicContact CB-CD2 4.36Å; C105-W116 HydrophobicContact CB-CE3 3.86Å; C105-W116 HydrophobicContact CB-CG 4.49Å; R107-W116 HydrophobicContact CB-CD2 4.13Å; R107-W116 HydrophobicContact CB-CE3 3.68Å; R107-W116 HydrophobicContact CB-CH2 4.41Å; R107-W116 HydrophobicContact CB-CZ3 3.83Å; G114-W116 VanDerWaalsContact O-CD1 3.28Å
117S93.4Very high91Very high8 Ų858.8 Ų58.86%0.05634%0.335CS..PPolyproline II helixtrans-64.4171.1173.768.60000110.8Y106Y106-S117 VanDerWaalsContact CD1-OG 3.29Å; Y106-S117 WeakPolarHBondContact CD1-OG 3.2Å; Y106-S117 VanDerWaalsContact CE1-CB 3.41Å; Y106-S117 PolarHBondContact N-OG 2.68Å; Y106-S117 WeakPolarHBondContact O-CB 3.44Å; Y106-S117 PolarHBondContact O-N 3.03Å; Y106-S117 PolarHBondContact O-OG 2.8Å
118Q92.6Very high90.8Very high84 Ų8458.5 Ų58.539%0.39334%0.34SS..PPolyproline II helixtrans-55.6143.7159.6-70.8-172.9-2700110.3S32 H34 K36 P37S32-Q118 PolarHBondContact OG-NE2 3.21Å; S32-Q118 PolarHBondContact OG-OE1 3.23Å; S32-Q118 VanDerWaalsContact OG-OE1 3.07Å; H34-Q118 WeakPolarHBondContact O-CG 3.47Å; H34-Q118 PolarHBondContact O-N 2.88Å; K36-Q118 HydrophobicContact CB-CB 4.02Å; P37-Q118 WeakPolarHBondContact CD-O 3.25Å
119P93.6Very high90.3Very high62 Ų6261.6 Ų61.640%0.40336%0.357SS..PPolyproline II helixtrans-69.4149.7176.828.6-33.9000110.9K36 R103K36-P119 WeakPolarHBondContact CB-O 3.4Å; R103-P119 HydrophobicContact CB-CB 4.38Å
120S96.2Very high90.1Very high0 Ų062.2 Ų62.20%035%0.351CS..PPolyproline II helixtrans-59.2167.9168.7710000111.8P37 R103 C104P37-S120 WeakPolarHBondContact O-CA 3.32Å; P37-S120 WeakPolarHBondContact O-CB 3.46Å; R103-S120 PolarHBondContact NH1-O 2.86Å; C104-S120 PolarHBondContact N-OG 3.03Å; C104-S120 PolarHBondContact O-N 2.84Å
121D95.4Very high90.2Very high101 Ų10156.7 Ų56.754%0.5432%0.322SS..PPolyproline II helixtrans-57.1153160.3-59.4-41000109.9K36 L123K36-D121 IonicContact NZ-OD1 3.06Å; K36-D121 PolarHBondContact NZ-OD1 3.04Å; K36-D121 IonicContact NZ-OD2 2.83Å; K36-D121 PolarHBondContact NZ-OD2 3.49Å; D121-L123 PolarHBondContact O-N 2.89Å
122V95.8Very high90.3Very high62 Ų6256 Ų5638%0.37632%0.321SS..PPolyproline II helixtrans-70130.9-178.2-179.30000109.4R103 E124R103-V122 HydrophobicContact CG-CG2 4.23Å; V122-E124 HydrophobicContact CG1-CG 4.29Å; V122-E124 VanDerWaalsContact CG1-OE1 3.25Å; V122-E124 WeakPolarHBondContact CG1-OE1 3.29Å
123L97.1Very high90.8Very high13 Ų1360.1 Ų60.17%0.06833%0.326CS..EExtended strand (participates in β ladder)trans-101.6113.7165.3-176.1140.5000109L39 G40 A41 T45 L55 S101 Y102 D121 L125L39-L123 HydrophobicContact CD2-CB 3.71Å; L39-L123 HydrophobicContact CG-CB 3.99Å; L39-L123 HydrophobicContact CG-CD1 4.09Å; G40-L123 VanDerWaalsContact CA-CD1 3.42Å; A41-L123 HydrophobicContact CB-CD1 3.89Å; A41-L123 HydrophobicContact CB-CD2 4.25Å; T45-L123 HydrophobicContact CG2-CD1 4.2Å; T45-L123 HydrophobicContact CG2-CG 4.21Å; L55-L123 HydrophobicContact CD2-CD1 4.47Å; L55-L123 HydrophobicContact CD2-CD2 3.8Å; S101-L123 CarbonylContact C-O 3.4Å; S101-L123 WeakPolarHBondContact CA-O 3.35Å; Y102-L123 PolarHBondContact N-O 3.4Å; Y102-L123 PolarHBondContact O-N 2.71Å; D121-L123 PolarHBondContact O-N 2.89Å; L123-L125 HydrophobicContact CD2-CB 4.17Å
124E96.9Very high91.5Very high89 Ų8954.4 Ų54.442%0.41629%0.289SS..EExtended strand (participates in β ladder)trans-85114.2171-66.5-60.8152.400109.3S101 V122 L126S101-E124 WeakPolarHBondContact CB-OE1 3.28Å; S101-E124 PolarHBondContact N-OE2 3.39Å; S101-E124 PolarHBondContact OG-OE1 3.18Å; S101-E124 PolarHBondContact OG-OE2 2.98Å; S101-E124 VanDerWaalsContact OG-OE2 3.09Å; V122-E124 HydrophobicContact CG1-CG 4.29Å; V122-E124 VanDerWaalsContact CG1-OE1 3.25Å; V122-E124 WeakPolarHBondContact CG1-OE1 3.29Å; E124-L126 HydrophobicContact CB-CD1 3.91Å
125L96.4Very high92.2Very high1 Ų154.7 Ų54.71%0.00528%0.282CS..EExtended strand (participates in β ladder)trans-96.3107.9172-178.567.2000108.9T45 V47 V53 L91 G99 G100 Y102 L123 V127T45-L125 CarbonylContact O-C 3.55Å; T45-L125 WeakPolarHBondContact O-CA 3.29Å; V47-L125 HydrophobicContact CG2-CD1 4.21Å; V53-L125 HydrophobicContact CG1-CD1 4.12Å; V53-L125 HydrophobicContact CG2-CD1 4.46Å; L91-L125 HydrophobicContact CD1-CD2 3.83Å; G99-L125 CarbonylContact C-O 3.51Å; G99-L125 VanDerWaalsContact CA-O 3.24Å; G99-L125 WeakPolarHBondContact CA-O 3.29Å; G100-L125 PolarHBondContact N-O 3.28Å; G100-L125 PolarHBondContact O-N 3.02Å; Y102-L125 HydrophobicContact CD2-CB 4.06Å; Y102-L125 HydrophobicContact CE2-CB 3.93Å; Y102-L125 HydrophobicContact CE2-CD2 4.07Å; L123-L125 HydrophobicContact CD2-CB 4.17Å; L125-V127 HydrophobicContact CG-CG2 4.34Å
126L94Very high92.7Very high95 Ų9552.8 Ų52.850%0.49727%0.27SS..EExtended strand (participates in β ladder)trans-94.3118176.6-7082.8000109.1T45 V46 V47 E124T45-L126 PolarHBondContact O-N 3.43Å; V46-L126 WeakPolarHBondContact CA-O 3.4Å; V46-L126 HydrophobicContact CG1-CB 4.32Å; V46-L126 HydrophobicContact CG2-CB 4.24Å; V47-L126 PolarHBondContact N-O 3.42Å; E124-L126 HydrophobicContact CB-CD1 3.91Å
127V90.6Very high93Very high16 Ų1652.9 Ų52.910%0.09728%0.277CS..EExtended strand (participates in β ladder)trans-104.8124171.6-1760000107.6V47 P49 V94 P96 L125V47-V127 HydrophobicContact CG2-CG2 4.08Å; V47-V127 WeakPolarHBondContact O-CA 3.48Å; P49-V127 HydrophobicContact CB-CG1 4.49Å; P49-V127 HydrophobicContact CG-CG1 3.87Å; V94-V127 HydrophobicContact CB-CG2 4.46Å; V94-V127 HydrophobicContact CG2-CG1 4.29Å; V94-V127 HydrophobicContact CG2-CG2 4.09Å; P96-V127 HydrophobicContact CG-CG1 4.44Å; L125-V127 HydrophobicContact CG-CG2 4.34Å
128T86.4Confident93.1Very high50 Ų5053.1 Ų53.131%0.30728%0.279SS..  trans-66.3146.8-178.761.40000111.2V47 P49 E130V47-T128 PolarHBondContact O-N 2.88Å; P49-T128 VanDerWaalsContact CD-O 3.23Å; P49-T128 WeakPolarHBondContact CD-O 3.27Å; P49-T128 WeakPolarHBondContact CD-OG1 3.37Å; P49-T128 WeakPolarHBondContact CG-O 3.41Å; T128-E130 PolarHBondContact O-N 3.21Å
129E80.1Confident93.2Very high120 Ų12052.2 Ų52.256%0.56128%0.277SS*.SBendtrans-74.5-12.3175.6-65.3-65.1160.300113L131 V209E129-L131 PolarHBondContact O-N 3.03Å; E129-V209 WeakPolarHBondContact O-CG1 3.33Å
130E82.4Confident92.9Very high108 Ų10855.5 Ų55.551%0.50530%0.299SS..PPolyproline II helixtrans-80.7117.7179.2-170.5169-164.500111.4P49 T128 Q212P49-E130 WeakPolarHBondContact CD-O 3.42Å; T128-E130 PolarHBondContact O-N 3.21Å; E130-Q212 WeakPolarHBondContact OE1-CG 3.39Å; E130-Q212 PolarHBondContact OE1-NE2 2.79Å
131L88.7Confident92.7Very high3 Ų356.3 Ų56.32%0.01631%0.306CS..BIsolated β-bridgetrans-75.5142.1175.6-60177.4000110.7P49 E129 L158 Y201 T203 V209P49-L131 HydrophobicContact CB-CD2 4.07Å; P49-L131 HydrophobicContact CG-CD2 4.16Å; E129-L131 PolarHBondContact O-N 3.03Å; L131-L158 HydrophobicContact CD2-CD1 3.86Å; L131-Y201 HydrophobicContact CB-CE2 4.15Å; L131-Y201 HydrophobicContact CD1-CD2 4.17Å; L131-Y201 HydrophobicContact CD1-CE2 3.98Å; L131-T203 HydrophobicContact CD1-CG2 4.16Å; L131-T203 HydrophobicContact CD2-CG2 4.39Å; L131-V209 HydrophobicContact CD1-CG1 4.25Å; L131-V209 WeakPolarHBondContact CD1-O 3.45Å; L131-V209 HydrophobicContact CD2-CG1 4.28Å; L131-V209 HydrophobicContact CG-CG1 4.01Å
132P89.7Confident92.5Very high20 Ų2054.5 Ų54.513%0.1330%0.3CS..PPolyproline II helixtrans-53.2143.3176.8-25.932000113.3P49 R157 Y201 S211P49-P132 VanDerWaalsContact O-CG 3.28Å; P49-P132 WeakPolarHBondContact O-CG 3.35Å; P132-R157 HydrophobicContact CB-CG 4.37Å; P132-Y201 WeakPolarHBondContact CD-OH 3.45Å; P132-Y201 WeakPolarHBondContact O-CE1 3.44Å; P132-Y201 VanDerWaalsContact O-CZ 3.3Å; P132-Y201 PolarHBondContact O-OH 2.8Å; P132-S211 WeakPolarHBondContact O-CB 3.44Å
133R94.1Very high92.2Very high124 Ų12455.2 Ų55.247%0.46831%0.305SS..PPolyproline II helixtrans-63131.9175.4-174.4-177.8-72.2-137.9-6.5110.6Q212 R213 E215R133-Q212 HydrophobicContact CG-CB 4.47Å; R133-R213 WeakPolarHBondContact CG-O 3.28Å; R133-E215 IonicContact CZ-OE1 3.81Å; R133-E215 IonicContact NH1-OE1 3.03Å; R133-E215 PolarHBondContact NH1-OE1 3Å
134P96.5Very high91.7Very high6 Ų655 Ų554%0.03930%0.304CS..PPolyproline II helixtrans-79.9165.1174.531.5-31.8000112.3A155 Y201 S211 Q212 S214P134-A155 CarbonylContact C-O 3.54Å; P134-A155 VanDerWaalsContact CA-O 3.29Å; P134-A155 WeakPolarHBondContact CA-O 3.49Å; P134-A155 WeakPolarHBondContact CB-O 3.41Å; P134-Y201 HydrophobicContact CB-CD1 3.74Å; P134-Y201 HydrophobicContact CB-CE1 3.81Å; P134-Y201 HydrophobicContact CG-CD1 3.82Å; P134-Y201 HydrophobicContact CG-CE1 4.06Å; P134-S211 WeakPolarHBondContact CD-OG 3.41Å; P134-Q212 WeakPolarHBondContact CD-O 3.45Å; P134-S214 WeakPolarHBondContact O-CA 3.43Å; P134-S214 VanDerWaalsContact O-CB 3.3Å; P134-S214 WeakPolarHBondContact O-CB 3.13Å
135S97.2Very high91.1Very high64 Ų6451.6 Ų51.645%0.44829%0.293SS..EExtended strand (participates in β ladder)trans-105.5145169.359.80000110.4C154 A155S135-C154 CarbonylContact O-C 3.54Å; S135-C154 WeakPolarHBondContact O-CA 3.45Å; S135-A155 PolarHBondContact N-O 2.81Å; S135-A155 PolarHBondContact O-N 2.89Å; S135-A155 PolarHBondContact OG-O 2.74Å
136L98.1Very high90.4Very high18 Ų1857.1 Ų57.19%0.09433%0.329CS..EExtended strand (participates in β ladder)trans-122.7125.1176.5-175.963.2000109.2L152 R153 C154 L165 C199 L217L136-L152 HydrophobicContact CD1-CB 4.05Å; L136-R153 WeakPolarHBondContact CA-O 3.15Å; L136-C154 HydrophobicContact CD1-CB 4.08Å; L136-L165 HydrophobicContact CD1-CD1 4.22Å; L136-L165 HydrophobicContact CD2-CD1 4.23Å; L136-C199 HydrophobicContact CD1-CB 4.25Å; L136-L217 HydrophobicContact CD2-CB 3.95Å; L136-L217 HydrophobicContact CD2-CD2 4.33Å; L136-L217 HydrophobicContact CG-CB 4.2Å; L136-L217 HydrophobicContact CG-CD2 3.91Å
137V97.3Very high89.8Confident66 Ų6655.1 Ų55.140%0.433%0.331SS..EExtended strand (participates in β ladder)trans-131.8151.4-180-600000111L152 R153V137-L152 CarbonylContact O-C 3.53Å; V137-L152 WeakPolarHBondContact O-CA 3.03Å; V137-R153 HydrophobicContact CG2-CB 3.86Å; V137-R153 HydrophobicContact CG2-CG 4.47Å; V137-R153 PolarHBondContact N-O 2.98Å; V137-R153 PolarHBondContact O-N 3.13Å
138A95.5Very high89.6Confident13 Ų1356.3 Ų56.311%0.10734%0.343CS..EExtended strand (participates in β ladder)trans-100.8138.4173.700000110.7P140 G141 V150 L152 L217 I219A138-P140 CarbonylContact O-C 3.53Å; A138-G141 VanDerWaalsContact CB-C 3.49Å; A138-G141 VanDerWaalsContact CB-O 3.28Å; A138-G141 WeakPolarHBondContact CB-O 2.99Å; A138-G141 PolarHBondContact O-N 3.41Å; A138-V150 HydrophobicContact CB-CG2 4.07Å; A138-L152 HydrophobicContact CB-CD2 3.66Å; A138-L217 HydrophobicContact CB-CD2 3.96Å; A138-I219 HydrophobicContact CB-CD1 3.65Å
139L94.4Very high89.8Confident65 Ų6558.5 Ų58.534%0.3435%0.352SS..EExtended strand (participates in β ladder)trans-121.4122.8179.2-60170.8000108.5S151 R153L139-S151 PolarHBondContact N-O 2.97Å; L139-S151 PolarHBondContact O-N 3.27Å; L139-S151 VanDerWaalsContact O-N 3.13Å; L139-R153 HydrophobicContact CD1-CB 4.01Å
140P88.9Confident90.3Very high132 Ų13252.9 Ų52.986%0.85733%0.326SS*.SBendcis-77.8-16.5432.3-35.8000114.6A138A138-P140 CarbonylContact O-C 3.53Å
141G91.3Very high90.9Very high16 Ų1649 Ų4917%0.16531%0.311CS..  trans-173.7176.3179.800000112.7A138 V143A138-G141 VanDerWaalsContact CB-C 3.49Å; A138-G141 VanDerWaalsContact CB-O 3.28Å; A138-G141 WeakPolarHBondContact CB-O 2.99Å; A138-G141 PolarHBondContact O-N 3.41Å; G141-V143 VanDerWaalsContact C-N 3.32Å
142P91.1Very high91.3Very high63 Ų6348.8 Ų48.841%0.40931%0.31SS..SBendtrans-80-11-175.831.5-34.9000114.1L217 V218 I219 S220P142-L217 HydrophobicContact CB-CD1 4.42Å; P142-V218 WeakPolarHBondContact CB-O 3.5Å; P142-I219 HydrophobicContact CB-CD1 4.22Å; P142-I219 VanDerWaalsContact O-CA 3.26Å; P142-I219 WeakPolarHBondContact O-CA 3.43Å; P142-S220 PolarHBondContact O-N 3.11Å
143V90.1Very high91.7Very high78 Ų7851.8 Ų51.847%0.47332%0.319SS..EExtended strand (participates in β ladder)trans-103.6125.8177.7-175.30000108.2G141 S220 E222G141-V143 VanDerWaalsContact C-N 3.32Å; V143-S220 WeakPolarHBondContact CA-O 3.34Å; V143-E222 VanDerWaalsContact CG1-CA 3.43Å; V143-E222 HydrophobicContact CG1-CB 3.8Å; V143-E222 HydrophobicContact CG1-CG 4.23Å
144V87Confident91.9Very high8 Ų845.9 Ų45.95%0.04830%0.296CS..EExtended strand (participates in β ladder)trans-122.7136.8-174.4-63.60000111.2V150 I219 S220 W221 E222V144-V150 HydrophobicContact CG1-CB 3.76Å; V144-V150 HydrophobicContact CG1-CG1 4.22Å; V144-V150 HydrophobicContact CG1-CG2 4.06Å; V144-I219 HydrophobicContact CG1-CG2 4.05Å; V144-I219 HydrophobicContact CG2-CG2 3.9Å; V144-S220 WeakPolarHBondContact CG2-O 3.17Å; V144-S220 PolarHBondContact N-O 2.83Å; V144-W221 HydrophobicContact CG2-CE3 3.98Å; V144-W221 HydrophobicContact CG2-CZ3 4.03Å; V144-W221 CarbonylContact O-C 3.5Å; V144-W221 WeakPolarHBondContact O-CA 2.98Å; V144-W221 VanDerWaalsContact O-CE3 3.32Å; V144-E222 PolarHBondContact O-N 2.78Å
145G83.3Confident91.9Very high18 Ų1846.7 Ų46.719%0.18630%0.304CS..  trans-70.6156.9170.900000112G147 A148 W221G145-G147 PolarHBondContact O-N 3Å; G145-A148 VanDerWaalsContact O-CB 3.27Å; G145-A148 WeakPolarHBondContact O-CB 3.46Å; G145-A148 PolarHBondContact O-N 3.08Å; G145-W221 WeakPolarHBondContact O-CZ3 3.32Å
146P81.3Confident91.7Very high116 Ų11644.5 Ų44.575%0.75329%0.292SS*.THydrogen-bonded Turntrans-50.1122.4178.6-27.234.6000113.1A148 W221P146-A148 PolarHBondContact O-N 3.07Å; P146-W221 VanDerWaalsContact CA-CZ3 3.44Å
147G81.2Confident91.2Very high53 Ų5351.4 Ų51.455%0.54632%0.316SS..THydrogen-bonded Turntrans75.7-0.9178.400000115.8G145G145-G147 PolarHBondContact O-N 3Å
148A86Confident90.8Very high42 Ų4248.5 Ų48.535%0.34730%0.298SS..  trans-73.7137.7177.500000111.9G145 P146 G190G145-A148 VanDerWaalsContact O-CB 3.27Å; G145-A148 WeakPolarHBondContact O-CB 3.46Å; G145-A148 PolarHBondContact O-N 3.08Å; P146-A148 PolarHBondContact O-N 3.07Å; A148-G190 WeakPolarHBondContact O-CA 3.41Å
149N90.6Very high90.6Very high95 Ų9555.1 Ų55.151%0.50832%0.32SS..  trans-78.6144.9174.4-66.6-17.7000110.6L188 L189 G190N149-L188 WeakPolarHBondContact CA-O 3.09Å; N149-L189 WeakPolarHBondContact OD1-CA 3.22Å; N149-G190 PolarHBondContact OD1-N 2.7Å; N149-G190 VanDerWaalsContact OD1-N 3.14Å
150V92.3Very high90.4Very high2 Ų256.3 Ų56.31%0.01233%0.327CS..EExtended strand (participates in β ladder)trans-126.2140.7175.563.70000109.9A138 V144 L152 L188 A193A138-V150 HydrophobicContact CB-CG2 4.07Å; V144-V150 HydrophobicContact CG1-CB 3.76Å; V144-V150 HydrophobicContact CG1-CG1 4.22Å; V144-V150 HydrophobicContact CG1-CG2 4.06Å; V150-L152 HydrophobicContact CG2-CD2 4.23Å; V150-L188 HydrophobicContact CG1-CB 3.81Å; V150-L188 HydrophobicContact CG1-CD1 4.07Å; V150-L188 HydrophobicContact CG1-CG 4.36Å; V150-L188 PolarHBondContact N-O 2.99Å; V150-L188 PolarHBondContact O-N 3.49Å; V150-A193 HydrophobicContact CG1-CB 3.73Å
151S95.3Very high90.6Very high26 Ų2650.6 Ų50.618%0.18229%0.289CS..EExtended strand (participates in β ladder)trans-104.3124173.5-172.30000109.4L139 F186L139-S151 PolarHBondContact N-O 2.97Å; L139-S151 PolarHBondContact O-N 3.27Å; L139-S151 VanDerWaalsContact O-N 3.13Å; S151-F186 CarbonylContact C-O 3.4Å; S151-F186 WeakPolarHBondContact CA-O 3.49Å
152L96.6Very high90.8Very high0 Ų049.9 Ų49.90%028%0.282CS..EExtended strand (participates in β ladder)trans-96.5118.8172.3-56.7-169.6000109.2L136 V137 A138 V150 L165 D185 F186 L188 Y197 L217 I219L136-L152 HydrophobicContact CD1-CB 4.05Å; V137-L152 CarbonylContact O-C 3.53Å; V137-L152 WeakPolarHBondContact O-CA 3.03Å; A138-L152 HydrophobicContact CB-CD2 3.66Å; V150-L152 HydrophobicContact CG2-CD2 4.23Å; L152-L165 HydrophobicContact CD1-CD1 4.02Å; L152-L165 HydrophobicContact CD1-CD2 4.16Å; L152-D185 CarbonylContact O-C 3.56Å; L152-D185 WeakPolarHBondContact O-CA 3.41Å; L152-F186 HydrophobicContact CB-CB 4.49Å; L152-F186 PolarHBondContact N-O 2.82Å; L152-F186 PolarHBondContact O-N 2.82Å; L152-L188 HydrophobicContact CD1-CD1 3.63Å; L152-L188 HydrophobicContact CD1-CG 4.43Å; L152-L188 HydrophobicContact CG-CD1 3.89Å; L152-L188 HydrophobicContact CG-CG 4.39Å; L152-Y197 HydrophobicContact CD1-CD1 3.85Å; L152-Y197 HydrophobicContact CD1-CD2 4.05Å; L152-Y197 HydrophobicContact CD1-CE1 4.46Å; L152-Y197 HydrophobicContact CD1-CG 3.61Å; L152-L217 HydrophobicContact CD2-CD2 4.01Å; L152-I219 HydrophobicContact CD2-CD1 3.83Å; L152-I219 HydrophobicContact CD2-CG1 4.26Å
153R97.9Very high91Very high82 Ų8246.9 Ų46.931%0.30926%0.262SS..EExtended strand (participates in β ladder)trans-97.1115175.4176.9170.7-68.41681.6109.6L136 V137 L139 W183 D185L136-R153 WeakPolarHBondContact CA-O 3.15Å; V137-R153 HydrophobicContact CG2-CB 3.86Å; V137-R153 HydrophobicContact CG2-CG 4.47Å; V137-R153 PolarHBondContact N-O 2.98Å; V137-R153 PolarHBondContact O-N 3.13Å; L139-R153 HydrophobicContact CD1-CB 4.01Å; R153-W183 HydrophobicContact CG-CB 4.08Å; R153-W183 HydrophobicContact CG-CG 4.3Å; R153-D185 VanDerWaalsContact CB-OD1 3.29Å; R153-D185 WeakPolarHBondContact CB-OD1 3.5Å; R153-D185 VanDerWaalsContact CG-OD1 3.25Å; R153-D185 WeakPolarHBondContact CG-OD1 3.32Å; R153-D185 IonicContact CZ-OD1 2.68Å; R153-D185 IonicContact CZ-OD2 3.78Å; R153-D185 IonicContact NE-OD1 3.39Å; R153-D185 PolarHBondContact NE-OD1 2.8Å; R153-D185 IonicContact NE-OD2 2.81Å; R153-D185 IonicContact NH2-OD1 3.47Å; R153-D185 PolarHBondContact NH2-OD1 2.83Å; R153-D185 IonicContact NH2-OD2 3.67Å; R153-D185 PolarHBondContact NH2-OD2 3.32Å
154C97.9Very high91.3Very high0 Ų043.3 Ų43.30%024%0.24CC..EExtended strand (participates in β ladder)trans-93.2118.8167.8-1730000108.7S135 L136 F163 W183 A184 F186 C199S135-C154 CarbonylContact O-C 3.54Å; S135-C154 WeakPolarHBondContact O-CA 3.45Å; L136-C154 HydrophobicContact CD1-CB 4.08Å; C154-F163 HydrophobicContact CB-CD1 4.05Å; C154-W183 CarbonylContact O-C 3.46Å; C154-W183 WeakPolarHBondContact O-CA 3.44Å; C154-W183 VanDerWaalsContact O-CB 3.29Å; C154-W183 WeakPolarHBondContact O-CB 3.36Å; C154-A184 PolarHBondContact N-O 2.81Å; C154-A184 PolarHBondContact O-N 2.89Å; C154-F186 HydrophobicContact CB-CD2 4.47Å; C154-F186 HydrophobicContact CB-CE2 3.91Å; C154-C199 HydrophobicContact CB-CB 3.66Å; C154-C199 WeakPolarHBondContact CB-SG 3.47Å; C154-C199 WeakPolarHBondContact SG-CB 3.34Å; C154-C199 CovalentContact SG-SG 2.03Å; C154-C199 PolarHBondContact SG-SG 2.83Å
155A96.7Very high91.8Very high24 Ų2442.9 Ų42.920%0.19824%0.238CC..EExtended strand (participates in β ladder)trans-120.2124.9-177.200000111.6P134 S135 W183P134-A155 CarbonylContact C-O 3.54Å; P134-A155 VanDerWaalsContact CA-O 3.29Å; P134-A155 WeakPolarHBondContact CA-O 3.49Å; P134-A155 WeakPolarHBondContact CB-O 3.41Å; S135-A155 PolarHBondContact N-O 2.81Å; S135-A155 PolarHBondContact O-N 2.89Å; S135-A155 PolarHBondContact OG-O 2.74Å; A155-W183 HydrophobicContact CB-CB 3.81Å
156G92.6Very high92.4Very high18 Ų1843.7 Ų43.719%0.18624%0.236CC..  trans-107.7-170172.100000111.9P182G156-P182 CarbonylContact C-O 3.57Å; G156-P182 PolarHBondContact N-O 2.87Å
157R87.4Confident93Very high163 Ų16341.6 Ų41.662%0.61521%0.213SC*.SBendtrans-95-24.1175.5-67.2-171.6178.2-159.6-1.2113.9P132P132-R157 HydrophobicContact CB-CG 4.37Å
158L89.4Confident93.6Very high4 Ų445.3 Ų45.32%0.02122%0.216CC..SBendtrans-104.2141.2-169.6-69166.8000111.1P49 E93 L131 M161 P182 Y201P49-L158 HydrophobicContact CB-CD1 3.83Å; E93-L158 HydrophobicContact CB-CD2 4.2Å; L131-L158 HydrophobicContact CD2-CD1 3.86Å; L158-M161 HydrophobicContact CB-CE 3.44Å; L158-M161 VanDerWaalsContact CB-CE 3.44Å; L158-M161 HydrophobicContact CB-CG 3.92Å; L158-M161 HydrophobicContact CB-SD 4.46Å; L158-M161 HydrophobicContact CD1-CE 3.69Å; L158-M161 HydrophobicContact CG-CE 4.1Å; L158-M161 WeakPolarHBondContact O-CG 3.25Å; L158-P182 WeakPolarHBondContact O-CA 3.42Å; L158-Y201 HydrophobicContact CD1-CE2 4.44Å
159R90.6Very high93.8Very high152 Ų15247.4 Ų47.457%0.57424%0.241SC*.SBendtrans-81.1165.2174.7-63177.5-165.1-137.60.4111.8E93 M161 A180 P182E93-R159 IonicContact OE1-CZ 3.76Å; E93-R159 IonicContact OE1-NE 2.74Å; E93-R159 PolarHBondContact OE1-NE 2.81Å; E93-R159 IonicContact OE1-NH2 3.65Å; E93-R159 IonicContact OE2-NE 2.68Å; R159-M161 PolarHBondContact O-N 2.91Å; R159-A180 WeakPolarHBondContact CB-O 3.49Å; R159-P182 HydrophobicContact CG-CB 4.43Å; R159-P182 HydrophobicContact CG-CG 4.48Å
160N91.1Very high93.8Very high91 Ų9146 Ų4649%0.48724%0.236SC..SBendtrans5649174.1-154.545.2000112.7H178 S179 A180 P204N160-H178 PolarHBondContact OD1-CE1 2.82Å; N160-H178 PolarHBondContact OD1-NE2 3.14Å; N160-S179 CarbonylContact C-O 3.48Å; N160-S179 WeakPolarHBondContact CA-O 3.1Å; N160-S179 PolarHBondContact N-O 3.18Å; N160-A180 PolarHBondContact N-O 2.81Å; N160-P204 WeakPolarHBondContact O-CD 3.13Å; N160-P204 WeakPolarHBondContact O-CG 3.29Å
161M92.4Very high93.6Very high12 Ų1250.9 Ų50.96%0.05928%0.277CS..EExtended strand (participates in β ladder)trans-115.7156-175.6-68.4-61.7166.700111.3L158 R159 F163 S179 Y201 T203L158-M161 HydrophobicContact CB-CE 3.44Å; L158-M161 VanDerWaalsContact CB-CE 3.44Å; L158-M161 HydrophobicContact CB-CG 3.92Å; L158-M161 HydrophobicContact CB-SD 4.46Å; L158-M161 HydrophobicContact CD1-CE 3.69Å; L158-M161 HydrophobicContact CG-CE 4.1Å; L158-M161 WeakPolarHBondContact O-CG 3.25Å; R159-M161 PolarHBondContact O-N 2.91Å; M161-F163 HydrophobicContact CB-CD2 4.42Å; M161-F163 HydrophobicContact CB-CE2 3.8Å; M161-F163 HydrophobicContact CB-CZ 4.13Å; M161-F163 WeakPolarHBondContact O-CD2 3.38Å; M161-S179 PolarHBondContact N-O 2.03Å; M161-S179 PolarHBondContact O-N 3.46Å; M161-Y201 HydrophobicContact CB-CD2 3.95Å; M161-Y201 HydrophobicContact CG-CD2 3.81Å; M161-Y201 HydrophobicContact CG-CE2 4.17Å; M161-Y201 HydrophobicContact SD-CD2 4.19Å; M161-Y201 HydrophobicContact SD-CE2 4.49Å; M161-T203 HydrophobicContact CE-CG2 4.16Å; M161-T203 HydrophobicContact SD-CG2 4.11Å
162S95.1Very high93.4Very high0 Ų052.3 Ų52.30%029%0.29CS..EExtended strand (participates in β ladder)trans-98117.5173.2-70.10000110Y176 Y201 H202S162-Y176 VanDerWaalsContact CB-OH 3.26Å; S162-Y176 WeakPolarHBondContact CB-OH 3.45Å; S162-Y176 PolarHBondContact OG-OH 3.37Å; S162-Y201 CarbonylContact O-C 3.58Å; S162-Y201 WeakPolarHBondContact O-CA 3.34Å; S162-Y201 WeakPolarHBondContact O-CB 3.36Å; S162-H202 WeakPolarHBondContact CB-CE1 3.35Å; S162-H202 WeakPolarHBondContact CB-NE2 3.23Å; S162-H202 PolarHBondContact N-O 2.8Å; S162-H202 PolarHBondContact O-N 2.92Å
163F97Very high93.2Very high0 Ų055.4 Ų55.40%031%0.31CS..EExtended strand (participates in β ladder)trans-101.4141.3-178.6-65.6-94.9000110.7C154 M161 R177 A184 F186 Y201C154-F163 HydrophobicContact CB-CD1 4.05Å; M161-F163 HydrophobicContact CB-CD2 4.42Å; M161-F163 HydrophobicContact CB-CE2 3.8Å; M161-F163 HydrophobicContact CB-CZ 4.13Å; M161-F163 WeakPolarHBondContact O-CD2 3.38Å; F163-R177 PolarHBondContact N-O 3.44Å; F163-R177 PolarHBondContact O-N 3.01Å; F163-A184 HydrophobicContact CB-CB 3.67Å; F163-A184 HydrophobicContact CD1-CB 4.48Å; F163-A184 HydrophobicContact CD2-CB 3.64Å; F163-A184 HydrophobicContact CE2-CB 4.43Å; F163-A184 HydrophobicContact CG-CB 3.68Å; F163-F186 HydrophobicContact CB-CE2 4.12Å; F163-F186 HydrophobicContact CB-CZ 3.74Å; F163-Y201 HydrophobicContact CD1-CG 4.38Å; F163-Y201 HydrophobicContact CE1-CD1 4.24Å; F163-Y201 HydrophobicContact CE1-CG 4.09Å
164V96.1Very high93Very high3 Ų354.9 Ų54.92%0.01831%0.313CS..EExtended strand (participates in β ladder)trans-130.2126.1-177.3-1640000109.8Y166 P173 Y176 C199 Y200V164-Y166 HydrophobicContact CB-CE2 4.2Å; V164-Y166 HydrophobicContact CG1-CD2 4.02Å; V164-Y166 HydrophobicContact CG1-CE2 3.46Å; V164-Y166 VanDerWaalsContact CG1-CE2 3.46Å; V164-P173 HydrophobicContact CG1-CB 3.57Å; V164-P173 HydrophobicContact CG1-CG 3.92Å; V164-Y176 HydrophobicContact CG2-CD2 3.9Å; V164-Y176 HydrophobicContact CG2-CE2 4.37Å; V164-C199 WeakPolarHBondContact O-CA 3.4Å; V164-C199 WeakPolarHBondContact O-CB 3.2Å; V164-Y200 HydrophobicContact CB-CD2 4.4Å; V164-Y200 HydrophobicContact CB-CE1 4.26Å; V164-Y200 HydrophobicContact CB-CE2 3.98Å; V164-Y200 HydrophobicContact CG2-CD2 4.25Å; V164-Y200 HydrophobicContact CG2-CE2 3.62Å; V164-Y200 PolarHBondContact N-O 2.78Å; V164-Y200 PolarHBondContact O-N 2.95Å; V164-Y200 VanDerWaalsContact O-N 3.16Å
165L97Very high92.9Very high0 Ų057.1 Ų57.10%032%0.324CS..EExtended strand (participates in β ladder)trans-99.3129.5176.8-175.771.2000110.3L136 L152 L174 Q175 F186 L188 Y197 C199L136-L165 HydrophobicContact CD1-CD1 4.22Å; L136-L165 HydrophobicContact CD2-CD1 4.23Å; L152-L165 HydrophobicContact CD1-CD1 4.02Å; L152-L165 HydrophobicContact CD1-CD2 4.16Å; L165-L174 HydrophobicContact CD2-CD2 4.19Å; L165-L174 WeakPolarHBondContact O-CB 3.36Å; L165-L174 PolarHBondContact O-N 2.87Å; L165-Q175 HydrophobicContact CB-CB 4.44Å; L165-Q175 PolarHBondContact N-O 3.36Å; L165-F186 HydrophobicContact CB-CD1 4.06Å; L165-F186 HydrophobicContact CB-CD2 4.05Å; L165-F186 HydrophobicContact CB-CE1 4.15Å; L165-F186 HydrophobicContact CB-CE2 4.15Å; L165-F186 HydrophobicContact CB-CG 3.99Å; L165-F186 HydrophobicContact CB-CZ 4.19Å; L165-F186 HydrophobicContact CD1-CD2 4.47Å; L165-F186 HydrophobicContact CD2-CB 3.74Å; L165-F186 HydrophobicContact CD2-CD2 4.46Å; L165-F186 HydrophobicContact CD2-CG 4.04Å; L165-F186 HydrophobicContact CG-CG 4.5Å; L165-L188 HydrophobicContact CD2-CD2 4.18Å; L165-Y197 HydrophobicContact CD1-CD1 4.36Å; L165-Y197 HydrophobicContact CD2-CD1 4.26Å; L165-Y197 HydrophobicContact CG-CD1 4.34Å; L165-C199 HydrophobicContact CD1-CB 4.46Å
166Y95.5Very high92.9Very high34 Ų3462.3 Ų62.313%0.13334%0.339CS..EExtended strand (participates in β ladder)trans-115.8148.3174.2-82-96.1000111.4V164 P173 Y197 S198 Y200V164-Y166 HydrophobicContact CB-CE2 4.2Å; V164-Y166 HydrophobicContact CG1-CD2 4.02Å; V164-Y166 HydrophobicContact CG1-CE2 3.46Å; V164-Y166 VanDerWaalsContact CG1-CE2 3.46Å; Y166-P173 HydrophobicContact CE1-CG 4.23Å; Y166-P173 HydrophobicContact CE2-CB 4.31Å; Y166-P173 HydrophobicContact CE2-CG 4.13Å; Y166-P173 WeakPolarHBondContact OH-CG 3.35Å; Y166-Y197 VanDerWaalsContact O-CA 3.29Å; Y166-Y197 WeakPolarHBondContact O-CA 3.45Å; Y166-S198 PolarHBondContact N-O 2.74Å; Y166-S198 PolarHBondContact O-N 3.05Å; Y166-Y200 HydrophobicContact CD2-CD1 4.17Å; Y166-Y200 AromaticContact CD2-CE1 3.84Å; Y166-Y200 HydrophobicContact CD2-CE1 3.84Å; Y166-Y200 AromaticContact CE2-CD1 3.93Å; Y166-Y200 HydrophobicContact CE2-CD1 3.93Å; Y166-Y200 AromaticContact CE2-CE1 3.15Å; Y166-Y200 HydrophobicContact CE2-CE1 3.15Å; Y166-Y200 AromaticContact CE2-CZ 3.83Å; Y166-Y200 AromaticContact CZ-CE1 3.9Å; Y166-Y200 PolarHBondContact OH-OH 2.83Å
167R94.3Very high93Very high72 Ų7265.8 Ų65.827%0.27235%0.347SS..EExtended strand (participates in β ladder)trans-114.7135.9168.9-176.7-175.5174.51428.6108.7V170 L174 R192 P194 T196 Y197R167-V170 HydrophobicContact CB-CB 4.48Å; R167-V170 HydrophobicContact CB-CG2 4.16Å; R167-V170 HydrophobicContact CG-CG2 4.34Å; R167-V170 PolarHBondContact O-N 3.16Å; R167-L174 HydrophobicContact CB-CD2 4.5Å; R167-R192 PolarHBondContact NH1-O 2.58Å; R167-P194 PolarHBondContact NH2-O 2.91Å; R167-T196 WeakPolarHBondContact CA-O 3.37Å; R167-Y197 HydrophobicContact CB-CD1 4.1Å; R167-Y197 HydrophobicContact CB-CE1 3.92Å; R167-Y197 HydrophobicContact CG-CD1 4.39Å; R167-Y197 HydrophobicContact CG-CE1 3.97Å; R167-Y197 PolarHBondContact NH1-OH 2.89Å
168E93.2Very high93.4Very high132 Ų13262.5 Ų62.562%0.61734%0.338SS*.THydrogen-bonded Turntrans-58.7140.8173.5-170.6173.3-158.600111.2V170 T196E168-V170 VanDerWaalsContact C-N 3.25Å; E168-V170 PolarHBondContact O-N 2.84Å; E168-T196 HydrophobicContact CB-CG2 4.45Å; E168-T196 PolarHBondContact N-O 2.8Å; E168-T196 WeakPolarHBondContact OE2-CB 3.19Å; E168-T196 WeakPolarHBondContact OE2-CG2 3.48Å; E168-T196 PolarHBondContact OE2-OG1 2.9Å
169G89.9Confident93.7Very high85 Ų8562.8 Ų62.888%0.87634%0.34SS*.THydrogen-bonded Turntrans79.6-2.8-174.600000115.1
170V91.9Very high93.9Very high65 Ų6558.2 Ų58.239%0.39434%0.335SS..  trans-113.1120.5174.6-172.60000109.6R167 E168 A172R167-V170 HydrophobicContact CB-CB 4.48Å; R167-V170 HydrophobicContact CB-CG2 4.16Å; R167-V170 HydrophobicContact CG-CG2 4.34Å; R167-V170 PolarHBondContact O-N 3.16Å; E168-V170 VanDerWaalsContact C-N 3.25Å; E168-V170 PolarHBondContact O-N 2.84Å; V170-A172 WeakPolarHBondContact CG1-O 3.49Å
171A87.9Confident94.1Very high105 Ų10558.7 Ų58.787%0.86833%0.334SS*.SBendtrans-69.1-37.8-177.200000112.9
172A91.9Very high94.2Very high57 Ų5759.4 Ų59.447%0.47134%0.34SS..SBendtrans-87.8153.5-179.400000112.1V170 L174V170-A172 WeakPolarHBondContact CG1-O 3.49Å; A172-L174 PolarHBondContact O-N 2.93Å
173P92.4Very high94.3Very high64 Ų6464.3 Ų64.342%0.41636%0.359SS..  trans-50.2137.1166.6-24.931.6000112.1V164 Y166V164-P173 HydrophobicContact CG1-CB 3.57Å; V164-P173 HydrophobicContact CG1-CG 3.92Å; Y166-P173 HydrophobicContact CE1-CG 4.23Å; Y166-P173 HydrophobicContact CE2-CB 4.31Å; Y166-P173 HydrophobicContact CE2-CG 4.13Å; Y166-P173 WeakPolarHBondContact OH-CG 3.35Å
174L93.6Very high94.3Very high71 Ų7164.4 Ų64.437%0.37236%0.36SS..SBendtrans-78-43.9174.9-172.367.2000111.1L165 R167 A172 L188 Y197L165-L174 HydrophobicContact CD2-CD2 4.19Å; L165-L174 WeakPolarHBondContact O-CB 3.36Å; L165-L174 PolarHBondContact O-N 2.87Å; R167-L174 HydrophobicContact CB-CD2 4.5Å; A172-L174 PolarHBondContact O-N 2.93Å; L174-L188 HydrophobicContact CD2-CD2 3.73Å; L174-Y197 HydrophobicContact CD2-CD1 4.47Å; L174-Y197 HydrophobicContact CD2-CE1 3.78Å
175Q95.3Very high94.4Very high48 Ų4866.4 Ų66.422%0.22437%0.37CS..EExtended strand (participates in β ladder)trans-146.9149.2178.5-64.1-175.134.900110.1L165 F186 T187L165-Q175 HydrophobicContact CB-CB 4.44Å; L165-Q175 PolarHBondContact N-O 3.36Å; Q175-F186 HydrophobicContact CB-CD1 3.52Å; Q175-F186 HydrophobicContact CB-CE1 3.89Å; Q175-F186 HydrophobicContact CG-CD1 4.44Å; Q175-T187 PolarHBondContact NE2-O 3.41Å
176Y95.4Very high94.3Very high132 Ų13266.4 Ų66.452%0.51837%0.37SS..EExtended strand (participates in β ladder)trans-125.3137.5174.5173.6-86.4000108.9S162 V164 H202S162-Y176 VanDerWaalsContact CB-OH 3.26Å; S162-Y176 WeakPolarHBondContact CB-OH 3.45Å; S162-Y176 PolarHBondContact OG-OH 3.37Å; V164-Y176 HydrophobicContact CG2-CD2 3.9Å; V164-Y176 HydrophobicContact CG2-CE2 4.37Å; Y176-H202 AromaticContact CE2-NE2 3.52Å
177R96.6Very high94.3Very high92 Ų9268.1 Ų68.135%0.34738%0.384SS..EExtended strand (participates in β ladder)trans-146.2121.9179.5-159.9108.479.2-166.623.3110.5F163 A184 D185 F186F163-R177 PolarHBondContact N-O 3.44Å; F163-R177 PolarHBondContact O-N 3.01Å; R177-A184 HydrophobicContact CB-CB 4.01Å; R177-A184 HydrophobicContact CG-CB 4.17Å; R177-D185 PolarHBondContact NE-O 2.94Å; R177-D185 VanDerWaalsContact NH2-C 3.34Å; R177-D185 PolarHBondContact NH2-O 2.82Å; R177-F186 HydrophobicContact CB-CD1 4.44Å; R177-F186 HydrophobicContact CB-CE1 3.64Å; R177-F186 HydrophobicContact CB-CZ 4Å
178H95.3Very high94.2Very high93 Ų9365.1 Ų65.143%0.43137%0.374SS..EExtended strand (participates in β ladder)trans-81136164.8178.1-97.6000109.4N160N160-H178 PolarHBondContact OD1-CE1 2.82Å; N160-H178 PolarHBondContact OD1-NE2 3.14Å
179S95.8Very high93.9Very high10 Ų1064.9 Ų64.97%0.0738%0.376CS..EExtended strand (participates in β ladder)trans-138.2131.7179.9-172.60000111.2N160 M161 Q181 W183N160-S179 CarbonylContact C-O 3.48Å; N160-S179 WeakPolarHBondContact CA-O 3.1Å; N160-S179 PolarHBondContact N-O 3.18Å; M161-S179 PolarHBondContact N-O 2.03Å; M161-S179 PolarHBondContact O-N 3.46Å; S179-Q181 VanDerWaalsContact C-N 3.26Å; S179-Q181 PolarHBondContact OG-N 3.39Å; S179-Q181 PolarHBondContact OG-O 2.68Å; S179-Q181 PolarHBondContact OG-OE1 2.84Å; S179-W183 WeakPolarHBondContact CB-O 3.13Å; S179-W183 PolarHBondContact OG-O 2.79Å
180A94Very high93.1Very high56 Ų5661 Ų6146%0.46334%0.336SS..SBendtrans-71.5-27169.500000111.3R159 N160R159-A180 WeakPolarHBondContact CB-O 3.49Å; N160-A180 PolarHBondContact N-O 2.81Å
181Q95.6Very high92.1Very high101 Ų10161.9 Ų61.947%0.47235%0.35SS..SBendtrans-76158.9174.2-64.778.133.800110.4S179 W183S179-Q181 VanDerWaalsContact C-N 3.26Å; S179-Q181 PolarHBondContact OG-N 3.39Å; S179-Q181 PolarHBondContact OG-O 2.68Å; S179-Q181 PolarHBondContact OG-OE1 2.84Å; Q181-W183 HydrophobicContact CB-CD2 4.03Å; Q181-W183 HydrophobicContact CB-CE3 4.3Å; Q181-W183 HydrophobicContact CB-CH2 4.33Å; Q181-W183 HydrophobicContact CB-CZ2 4.08Å; Q181-W183 HydrophobicContact CB-CZ3 4.44Å; Q181-W183 HydrophobicContact CG-CH2 4.42Å; Q181-W183 HydrophobicContact CG-CZ2 4.07Å; Q181-W183 PolarHBondContact O-N 3.38Å
182P93.8Very high91.5Very high28 Ų2866.7 Ų66.718%0.18235%0.346CS..SBendtrans-73.918.9175.429.4-29.8000113.3G156 L158 R159G156-P182 CarbonylContact C-O 3.57Å; G156-P182 PolarHBondContact N-O 2.87Å; L158-P182 WeakPolarHBondContact O-CA 3.42Å; R159-P182 HydrophobicContact CG-CB 4.43Å; R159-P182 HydrophobicContact CG-CG 4.48Å
183W97Very high91.1Very high102 Ų10264 Ų6439%0.38632%0.323SS..EExtended strand (participates in β ladder)trans-149160.817463.687.1000111R153 C154 A155 S179 Q181R153-W183 HydrophobicContact CG-CB 4.08Å; R153-W183 HydrophobicContact CG-CG 4.3Å; C154-W183 CarbonylContact O-C 3.46Å; C154-W183 WeakPolarHBondContact O-CA 3.44Å; C154-W183 VanDerWaalsContact O-CB 3.29Å; C154-W183 WeakPolarHBondContact O-CB 3.36Å; A155-W183 HydrophobicContact CB-CB 3.81Å; S179-W183 WeakPolarHBondContact CB-O 3.13Å; S179-W183 PolarHBondContact OG-O 2.79Å; Q181-W183 HydrophobicContact CB-CD2 4.03Å; Q181-W183 HydrophobicContact CB-CE3 4.3Å; Q181-W183 HydrophobicContact CB-CH2 4.33Å; Q181-W183 HydrophobicContact CB-CZ2 4.08Å; Q181-W183 HydrophobicContact CB-CZ3 4.44Å; Q181-W183 HydrophobicContact CG-CH2 4.42Å; Q181-W183 HydrophobicContact CG-CZ2 4.07Å; Q181-W183 PolarHBondContact O-N 3.38Å
184A97.8Very high91Very high3 Ų362.1 Ų62.13%0.02531%0.311CS..EExtended strand (participates in β ladder)trans-132.7135.4166.500000109.9C154 F163 R177 F186C154-A184 PolarHBondContact N-O 2.81Å; C154-A184 PolarHBondContact O-N 2.89Å; F163-A184 HydrophobicContact CB-CB 3.67Å; F163-A184 HydrophobicContact CD1-CB 4.48Å; F163-A184 HydrophobicContact CD2-CB 3.64Å; F163-A184 HydrophobicContact CE2-CB 4.43Å; F163-A184 HydrophobicContact CG-CB 3.68Å; R177-A184 HydrophobicContact CB-CB 4.01Å; R177-A184 HydrophobicContact CG-CB 4.17Å; A184-F186 HydrophobicContact CB-CE2 4.11Å; A184-F186 HydrophobicContact CB-CZ 4.16Å
185D97.6Very high90.9Very high45 Ų4559.7 Ų59.724%0.24130%0.303CS..EExtended strand (participates in β ladder)trans-86.4151.3171.2-67.5-5.7000108.5L152 R153 R177L152-D185 CarbonylContact O-C 3.56Å; L152-D185 WeakPolarHBondContact O-CA 3.41Å; R153-D185 VanDerWaalsContact CB-OD1 3.29Å; R153-D185 WeakPolarHBondContact CB-OD1 3.5Å; R153-D185 VanDerWaalsContact CG-OD1 3.25Å; R153-D185 WeakPolarHBondContact CG-OD1 3.32Å; R153-D185 IonicContact CZ-OD1 2.68Å; R153-D185 IonicContact CZ-OD2 3.78Å; R153-D185 IonicContact NE-OD1 3.39Å; R153-D185 PolarHBondContact NE-OD1 2.8Å; R153-D185 IonicContact NE-OD2 2.81Å; R153-D185 IonicContact NH2-OD1 3.47Å; R153-D185 PolarHBondContact NH2-OD1 2.83Å; R153-D185 IonicContact NH2-OD2 3.67Å; R153-D185 PolarHBondContact NH2-OD2 3.32Å; R177-D185 PolarHBondContact NE-O 2.94Å; R177-D185 VanDerWaalsContact NH2-C 3.34Å; R177-D185 PolarHBondContact NH2-O 2.82Å
186F96.1Very high90.9Very high0 Ų059 Ų590%030%0.302CS..EExtended strand (participates in β ladder)trans-137.4116.9176.9-63.6-81.4000109.3S151 L152 C154 F163 L165 Q175 R177 A184S151-F186 CarbonylContact C-O 3.4Å; S151-F186 WeakPolarHBondContact CA-O 3.49Å; L152-F186 HydrophobicContact CB-CB 4.49Å; L152-F186 PolarHBondContact N-O 2.82Å; L152-F186 PolarHBondContact O-N 2.82Å; C154-F186 HydrophobicContact CB-CD2 4.47Å; C154-F186 HydrophobicContact CB-CE2 3.91Å; F163-F186 HydrophobicContact CB-CE2 4.12Å; F163-F186 HydrophobicContact CB-CZ 3.74Å; L165-F186 HydrophobicContact CB-CD1 4.06Å; L165-F186 HydrophobicContact CB-CD2 4.05Å; L165-F186 HydrophobicContact CB-CE1 4.15Å; L165-F186 HydrophobicContact CB-CE2 4.15Å; L165-F186 HydrophobicContact CB-CG 3.99Å; L165-F186 HydrophobicContact CB-CZ 4.19Å; L165-F186 HydrophobicContact CD1-CD2 4.47Å; L165-F186 HydrophobicContact CD2-CB 3.74Å; L165-F186 HydrophobicContact CD2-CD2 4.46Å; L165-F186 HydrophobicContact CD2-CG 4.04Å; L165-F186 HydrophobicContact CG-CG 4.5Å; Q175-F186 HydrophobicContact CB-CD1 3.52Å; Q175-F186 HydrophobicContact CB-CE1 3.89Å; Q175-F186 HydrophobicContact CG-CD1 4.44Å; R177-F186 HydrophobicContact CB-CD1 4.44Å; R177-F186 HydrophobicContact CB-CE1 3.64Å; R177-F186 HydrophobicContact CB-CZ 4Å; A184-F186 HydrophobicContact CB-CE2 4.11Å; A184-F186 HydrophobicContact CB-CZ 4.16Å
187T94.5Very high90.9Very high69 Ų6952.7 Ų52.742%0.42328%0.277SS..EExtended strand (participates in β ladder)trans-89125.2-175.7-44.10000109.9Q175Q175-T187 PolarHBondContact NE2-O 3.41Å
188L91.8Very high91Very high10 Ų1048.5 Ų48.55%0.05226%0.262CS..EExtended strand (participates in β ladder)trans-104.1132.2172.5-57.7179.1000109.5N149 V150 L152 L165 L174 A193 Y197N149-L188 WeakPolarHBondContact CA-O 3.09Å; V150-L188 HydrophobicContact CG1-CB 3.81Å; V150-L188 HydrophobicContact CG1-CD1 4.07Å; V150-L188 HydrophobicContact CG1-CG 4.36Å; V150-L188 PolarHBondContact N-O 2.99Å; V150-L188 PolarHBondContact O-N 3.49Å; L152-L188 HydrophobicContact CD1-CD1 3.63Å; L152-L188 HydrophobicContact CD1-CG 4.43Å; L152-L188 HydrophobicContact CG-CD1 3.89Å; L152-L188 HydrophobicContact CG-CG 4.39Å; L165-L188 HydrophobicContact CD2-CD2 4.18Å; L174-L188 HydrophobicContact CD2-CD2 3.73Å; L188-A193 HydrophobicContact CB-CB 4.1Å; L188-Y197 HydrophobicContact CD1-CD1 4.3Å; L188-Y197 HydrophobicContact CD1-CE1 3.66Å; L188-Y197 HydrophobicContact CD1-CE2 4.01Å; L188-Y197 HydrophobicContact CD2-CE1 4.25Å
189L87.3Confident91Very high127 Ų12744.1 Ų44.167%0.66524%0.242SC*.  trans-83.4128.8178.5-57.9177.3000109.8N149 A191 R192N149-L189 WeakPolarHBondContact OD1-CA 3.22Å; L189-A191 PolarHBondContact O-N 2.94Å; L189-A191 VanDerWaalsContact O-N 3.07Å; L189-R192 PolarHBondContact O-N 2.84Å; L189-R192 VanDerWaalsContact O-N 3.08Å
190G73.8Confident91Very high3 Ų345.7 Ų45.73%0.03125%0.246CC..G310 helixtrans-48.6-44.8-155.700000117.4A148 N149 R192 A193 W221A148-G190 WeakPolarHBondContact O-CA 3.41Å; N149-G190 PolarHBondContact OD1-N 2.7Å; N149-G190 VanDerWaalsContact OD1-N 3.14Å; G190-R192 PolarHBondContact O-N 2.78Å; G190-A193 WeakPolarHBondContact O-CB 3.31Å; G190-A193 PolarHBondContact O-N 2.92Å; G190-A193 VanDerWaalsContact O-N 3.11Å; G190-W221 VanDerWaalsContact O-CH2 3.26Å; G190-W221 WeakPolarHBondContact O-CH2 2.96Å
191A70.1Confident91Very high84 Ų8443 Ų4369%0.69422%0.224SC*.G310 helixtrans-60.8-19.8-176.100000114.8L189L189-A191 PolarHBondContact O-N 2.94Å; L189-A191 VanDerWaalsContact O-N 3.07Å
192R75.6Confident90.8Very high206 Ų20639 Ų3978%0.77721%0.206SC*.G310 helixtrans-117.66.5-179.1-59.6-178.7-172.7172.12.2113R167 L189 G190 Y197R167-R192 PolarHBondContact NH1-O 2.58Å; L189-R192 PolarHBondContact O-N 2.84Å; L189-R192 VanDerWaalsContact O-N 3.08Å; G190-R192 PolarHBondContact O-N 2.78Å; R192-Y197 PolarHBondContact O-OH 3.41Å
193A83.1Confident90.5Very high0 Ų038.6 Ų38.60%020%0.202CC..  trans-68.5-33.4-176.600000115.2V150 L188 G190 Y197 I219V150-A193 HydrophobicContact CG1-CB 3.73Å; L188-A193 HydrophobicContact CB-CB 4.1Å; G190-A193 WeakPolarHBondContact O-CB 3.31Å; G190-A193 PolarHBondContact O-N 2.92Å; G190-A193 VanDerWaalsContact O-N 3.11Å; A193-Y197 WeakPolarHBondContact O-CE2 3.3Å; A193-Y197 PolarHBondContact O-OH 2.97Å; A193-I219 WeakPolarHBondContact O-CB 3.34Å; A193-I219 WeakPolarHBondContact O-CG2 3.33Å
194P90Very high90Very high25 Ų2536.6 Ų36.616%0.16220%0.203CC..  trans-65.8139.8178.5-18.728.1000112.3R167 I219 W221R167-P194 PolarHBondContact NH2-O 2.91Å; P194-I219 VanDerWaalsContact CA-O 3.26Å; P194-I219 WeakPolarHBondContact CA-O 3.36Å; P194-W221 HydrophobicContact CG-CD2 3.83Å; P194-W221 HydrophobicContact CG-CE3 4.45Å; P194-W221 HydrophobicContact CG-CG 4.25Å; P194-W221 HydrophobicContact CG-CH2 4.1Å; P194-W221 HydrophobicContact CG-CZ2 3.45Å; P194-W221 VanDerWaalsContact CG-CZ2 3.45Å
195G92.3Very high89.1Confident19 Ų1942 Ų4220%0.19624%0.24CC..EExtended strand (participates in β ladder)trans150.2178.4-179.600000112.6Y197 I219G195-Y197 VanDerWaalsContact O-CD2 3.28Å; G195-Y197 WeakPolarHBondContact O-CD2 3.46Å; G195-Y197 WeakPolarHBondContact O-CE2 3.41Å; G195-I219 PolarHBondContact N-O 3.34Å; G195-I219 PolarHBondContact O-N 3.09Å
196T95.6Very high88.2Confident33 Ų3340.4 Ų40.420%0.20223%0.234CC..EExtended strand (participates in β ladder)trans-95.7127175.3-43.40000109.8R167 E168 V216 V218R167-T196 WeakPolarHBondContact CA-O 3.37Å; E168-T196 HydrophobicContact CB-CG2 4.45Å; E168-T196 PolarHBondContact N-O 2.8Å; E168-T196 WeakPolarHBondContact OE2-CB 3.19Å; E168-T196 WeakPolarHBondContact OE2-CG2 3.48Å; E168-T196 PolarHBondContact OE2-OG1 2.9Å; T196-V216 HydrophobicContact CG2-CB 3.81Å; T196-V216 HydrophobicContact CG2-CG1 4.18Å; T196-V218 HydrophobicContact CG2-CG2 4.24Å
197Y96.3Very high87.4Confident1 Ų144 Ų440%0.00426%0.257CS..EExtended strand (participates in β ladder)trans-121.8154.2-177.4-63.3-92000111.3L152 L165 Y166 R167 L174 L188 R192 A193 G195 V216 L217 I219L152-Y197 HydrophobicContact CD1-CD1 3.85Å; L152-Y197 HydrophobicContact CD1-CD2 4.05Å; L152-Y197 HydrophobicContact CD1-CE1 4.46Å; L152-Y197 HydrophobicContact CD1-CG 3.61Å; L165-Y197 HydrophobicContact CD1-CD1 4.36Å; L165-Y197 HydrophobicContact CD2-CD1 4.26Å; L165-Y197 HydrophobicContact CG-CD1 4.34Å; Y166-Y197 VanDerWaalsContact O-CA 3.29Å; Y166-Y197 WeakPolarHBondContact O-CA 3.45Å; R167-Y197 HydrophobicContact CB-CD1 4.1Å; R167-Y197 HydrophobicContact CB-CE1 3.92Å; R167-Y197 HydrophobicContact CG-CD1 4.39Å; R167-Y197 HydrophobicContact CG-CE1 3.97Å; R167-Y197 PolarHBondContact NH1-OH 2.89Å; L174-Y197 HydrophobicContact CD2-CD1 4.47Å; L174-Y197 HydrophobicContact CD2-CE1 3.78Å; L188-Y197 HydrophobicContact CD1-CD1 4.3Å; L188-Y197 HydrophobicContact CD1-CE1 3.66Å; L188-Y197 HydrophobicContact CD1-CE2 4.01Å; L188-Y197 HydrophobicContact CD2-CE1 4.25Å; R192-Y197 PolarHBondContact O-OH 3.41Å; A193-Y197 WeakPolarHBondContact O-CE2 3.3Å; A193-Y197 PolarHBondContact O-OH 2.97Å; G195-Y197 VanDerWaalsContact O-CD2 3.28Å; G195-Y197 WeakPolarHBondContact O-CD2 3.46Å; G195-Y197 WeakPolarHBondContact O-CE2 3.41Å; Y197-V216 WeakPolarHBondContact O-CA 3.24Å; Y197-L217 PolarHBondContact N-O 2.93Å; Y197-L217 PolarHBondContact O-N 3.25Å; Y197-I219 HydrophobicContact CD2-CG1 3.85Å; Y197-I219 HydrophobicContact CE2-CB 4.27Å; Y197-I219 HydrophobicContact CE2-CG1 3.93Å
198S97.1Very high86.7Confident4 Ų449.7 Ų49.73%0.02827%0.272CS..EExtended strand (participates in β ladder)trans-154.1156.517455.40000108.8Y166 R213Y166-S198 PolarHBondContact N-O 2.74Å; Y166-S198 PolarHBondContact O-N 3.05Å; S198-R213 VanDerWaalsContact CB-CG 3.48Å; S198-R213 WeakPolarHBondContact OG-CD 3.43Å; S198-R213 PolarHBondContact OG-NE 3.46Å; S198-R213 PolarHBondContact OG-NH1 2.89Å
199C96.8Very high86.3Confident0 Ų049.9 Ų49.90%027%0.274CS..EExtended strand (participates in β ladder)trans-134.3157.3178.270.70000112L136 C154 V164 L165 R213 S214L136-C199 HydrophobicContact CD1-CB 4.25Å; C154-C199 HydrophobicContact CB-CB 3.66Å; C154-C199 WeakPolarHBondContact CB-SG 3.47Å; C154-C199 WeakPolarHBondContact SG-CB 3.34Å; C154-C199 CovalentContact SG-SG 2.03Å; C154-C199 PolarHBondContact SG-SG 2.83Å; V164-C199 WeakPolarHBondContact O-CA 3.4Å; V164-C199 WeakPolarHBondContact O-CB 3.2Å; L165-C199 HydrophobicContact CD1-CB 4.46Å; C199-R213 CarbonylContact O-C 3.48Å; C199-R213 WeakPolarHBondContact O-CA 3.4Å; C199-S214 PolarHBondContact N-OG 3.44Å; C199-S214 PolarHBondContact O-N 3.45Å
200Y95.3Very high86.4Confident43 Ų4347.7 Ų47.717%0.16926%0.262CS..EExtended strand (participates in β ladder)trans-136.1170.8163.668.9-103.7000108.9V164 Y166 L210 S211V164-Y200 HydrophobicContact CB-CD2 4.4Å; V164-Y200 HydrophobicContact CB-CE1 4.26Å; V164-Y200 HydrophobicContact CB-CE2 3.98Å; V164-Y200 HydrophobicContact CG2-CD2 4.25Å; V164-Y200 HydrophobicContact CG2-CE2 3.62Å; V164-Y200 PolarHBondContact N-O 2.78Å; V164-Y200 PolarHBondContact O-N 2.95Å; V164-Y200 VanDerWaalsContact O-N 3.16Å; Y166-Y200 HydrophobicContact CD2-CD1 4.17Å; Y166-Y200 AromaticContact CD2-CE1 3.84Å; Y166-Y200 HydrophobicContact CD2-CE1 3.84Å; Y166-Y200 AromaticContact CE2-CD1 3.93Å; Y166-Y200 HydrophobicContact CE2-CD1 3.93Å; Y166-Y200 AromaticContact CE2-CE1 3.15Å; Y166-Y200 HydrophobicContact CE2-CE1 3.15Å; Y166-Y200 AromaticContact CE2-CZ 3.83Å; Y166-Y200 AromaticContact CZ-CE1 3.9Å; Y166-Y200 PolarHBondContact OH-OH 2.83Å; Y200-L210 HydrophobicContact CD2-CD2 4.44Å; Y200-L210 HydrophobicContact CE2-CD2 4.01Å; Y200-S211 WeakPolarHBondContact CB-OG 3.4Å
201Y94.6Very high87.4Confident0 Ų048 Ų480%026%0.264CS..EExtended strand (participates in β ladder)trans-134.9161.9170.667.8-83.1000111.4L131 P132 P134 L158 M161 S162 F163 S211L131-Y201 HydrophobicContact CB-CE2 4.15Å; L131-Y201 HydrophobicContact CD1-CD2 4.17Å; L131-Y201 HydrophobicContact CD1-CE2 3.98Å; P132-Y201 WeakPolarHBondContact CD-OH 3.45Å; P132-Y201 WeakPolarHBondContact O-CE1 3.44Å; P132-Y201 VanDerWaalsContact O-CZ 3.3Å; P132-Y201 PolarHBondContact O-OH 2.8Å; P134-Y201 HydrophobicContact CB-CD1 3.74Å; P134-Y201 HydrophobicContact CB-CE1 3.81Å; P134-Y201 HydrophobicContact CG-CD1 3.82Å; P134-Y201 HydrophobicContact CG-CE1 4.06Å; L158-Y201 HydrophobicContact CD1-CE2 4.44Å; M161-Y201 HydrophobicContact CB-CD2 3.95Å; M161-Y201 HydrophobicContact CG-CD2 3.81Å; M161-Y201 HydrophobicContact CG-CE2 4.17Å; M161-Y201 HydrophobicContact SD-CD2 4.19Å; M161-Y201 HydrophobicContact SD-CE2 4.49Å; S162-Y201 CarbonylContact O-C 3.58Å; S162-Y201 WeakPolarHBondContact O-CA 3.34Å; S162-Y201 WeakPolarHBondContact O-CB 3.36Å; F163-Y201 HydrophobicContact CD1-CG 4.38Å; F163-Y201 HydrophobicContact CE1-CD1 4.24Å; F163-Y201 HydrophobicContact CE1-CG 4.09Å; Y201-S211 WeakPolarHBondContact CD1-OG 3.15Å; Y201-S211 PolarHBondContact N-OG 3.2Å; Y201-S211 PolarHBondContact O-N 3.3Å; Y201-S211 PolarHBondContact O-OG 2.76Å
202H91.3Very high88.5Confident18 Ų1848 Ų488%0.08325%0.25CC..EExtended strand (participates in β ladder)trans-146.2163.8179.768.485.8000111.2S162 Y176 V209 L210S162-H202 WeakPolarHBondContact CB-CE1 3.35Å; S162-H202 WeakPolarHBondContact CB-NE2 3.23Å; S162-H202 PolarHBondContact N-O 2.8Å; S162-H202 PolarHBondContact O-N 2.92Å; Y176-H202 AromaticContact CE2-NE2 3.52Å; H202-V209 WeakPolarHBondContact CA-O 3.25Å; H202-V209 WeakPolarHBondContact CB-O 3.4Å; H202-L210 HydrophobicContact CB-CD2 3.54Å
203T87.1Confident89.3Confident18 Ų1843.5 Ų43.511%0.1123%0.232CC..  trans-73.5140175.975.90000110.4L131 M161 S205 A206 V209L131-T203 HydrophobicContact CD1-CG2 4.16Å; L131-T203 HydrophobicContact CD2-CG2 4.39Å; M161-T203 HydrophobicContact CE-CG2 4.16Å; M161-T203 HydrophobicContact SD-CG2 4.11Å; T203-S205 VanDerWaalsContact C-N 3.34Å; T203-A206 CarbonylContact O-C 3.56Å; T203-A206 VanDerWaalsContact OG1-C 3.31Å; T203-A206 WeakPolarHBondContact OG1-CA 3.48Å; T203-A206 WeakPolarHBondContact OG1-CB 3.24Å; T203-A206 PolarHBondContact OG1-N 2.88Å; T203-A206 VanDerWaalsContact OG1-N 3.08Å; T203-A206 PolarHBondContact OG1-O 3.26Å; T203-V209 HydrophobicContact CG2-CB 4.48Å; T203-V209 HydrophobicContact CG2-CG1 4.39Å; T203-V209 PolarHBondContact N-O 3.14Å
204P85.1Confident90Very high61 Ų6143.8 Ų43.840%0.39623%0.234SC..SBendtrans-66.9-33.4177.6-23.334.1000113.5N160N160-P204 WeakPolarHBondContact O-CD 3.13Å; N160-P204 WeakPolarHBondContact O-CG 3.29Å
205S79.9Confident90.3Very high115 Ų11548.8 Ų48.880%0.80426%0.256SS*.SBendtrans-79.2-27.2-178.750.50000113.6T203T203-S205 VanDerWaalsContact C-N 3.34Å
206A78.8Confident90.5Very high13 Ų1352.6 Ų52.611%0.10728%0.275CS..  trans-135.583.4178.500000109.8T203 Y208 V209T203-A206 CarbonylContact O-C 3.56Å; T203-A206 VanDerWaalsContact OG1-C 3.31Å; T203-A206 WeakPolarHBondContact OG1-CA 3.48Å; T203-A206 WeakPolarHBondContact OG1-CB 3.24Å; T203-A206 PolarHBondContact OG1-N 2.88Å; T203-A206 VanDerWaalsContact OG1-N 3.08Å; T203-A206 PolarHBondContact OG1-O 3.26Å; A206-Y208 HydrophobicContact CB-CD1 4.4Å; A206-Y208 HydrophobicContact CB-CE1 3.8Å; A206-Y208 HydrophobicContact CB-CE2 3.93Å; A206-Y208 PolarHBondContact O-N 3.03Å; A206-V209 HydrophobicContact CB-CB 4.43Å; A206-V209 HydrophobicContact CB-CG2 3.92Å; A206-V209 PolarHBondContact O-N 2.66Å
207P78.5Confident90.6Very high76 Ų7652.4 Ų52.449%0.49427%0.272SS..THydrogen-bonded Turntrans-69-4.9-175.127.5-34.8000114.2L210P207-L210 WeakPolarHBondContact O-CD2 3.26Å
208Y81.1Confident90.5Very high187 Ų18756.3 Ų56.373%0.73330%0.296SS*.THydrogen-bonded Turntrans-86.3-14171.451.5-93.9000113A206 L210A206-Y208 HydrophobicContact CB-CD1 4.4Å; A206-Y208 HydrophobicContact CB-CE1 3.8Å; A206-Y208 HydrophobicContact CB-CE2 3.93Å; A206-Y208 PolarHBondContact O-N 3.03Å; Y208-L210 PolarHBondContact O-N 3.16Å
209V83.8Confident90.4Very high15 Ų1556.3 Ų56.39%0.09130%0.296CS..SBendtrans-89.199173.5-177.80000108.1E129 L131 H202 T203 A206E129-V209 WeakPolarHBondContact O-CG1 3.33Å; L131-V209 HydrophobicContact CD1-CG1 4.25Å; L131-V209 WeakPolarHBondContact CD1-O 3.45Å; L131-V209 HydrophobicContact CD2-CG1 4.28Å; L131-V209 HydrophobicContact CG-CG1 4.01Å; H202-V209 WeakPolarHBondContact CA-O 3.25Å; H202-V209 WeakPolarHBondContact CB-O 3.4Å; T203-V209 HydrophobicContact CG2-CB 4.48Å; T203-V209 HydrophobicContact CG2-CG1 4.39Å; T203-V209 PolarHBondContact N-O 3.14Å; A206-V209 HydrophobicContact CB-CB 4.43Å; A206-V209 HydrophobicContact CB-CG2 3.92Å; A206-V209 PolarHBondContact O-N 2.66Å
210L89.4Confident90.1Very high80 Ų8058.8 Ų58.842%0.41931%0.313SS..BIsolated β-bridgetrans-113.7147.6-169.4-52.2169.3000110.9Y200 H202 P207 Y208Y200-L210 HydrophobicContact CD2-CD2 4.44Å; Y200-L210 HydrophobicContact CE2-CD2 4.01Å; H202-L210 HydrophobicContact CB-CD2 3.54Å; P207-L210 WeakPolarHBondContact O-CD2 3.26Å; Y208-L210 PolarHBondContact O-N 3.16Å
211S93.4Very high89.7Confident10 Ų1061.4 Ų61.47%0.0732%0.323CS..BIsolated β-bridgetrans-74158.7163.178.30000110.7P132 P134 Y200 Y201P132-S211 WeakPolarHBondContact O-CB 3.44Å; P134-S211 WeakPolarHBondContact CD-OG 3.41Å; Y200-S211 WeakPolarHBondContact CB-OG 3.4Å; Y201-S211 WeakPolarHBondContact CD1-OG 3.15Å; Y201-S211 PolarHBondContact N-OG 3.2Å; Y201-S211 PolarHBondContact O-N 3.3Å; Y201-S211 PolarHBondContact O-OG 2.76Å
212Q92.6Very high89.1Confident85 Ų8567.4 Ų67.440%0.39735%0.351SS..PPolyproline II helixtrans-59.6158.3159.1-64.3-169.7-000110.5E130 R133 P134E130-Q212 WeakPolarHBondContact OE1-CG 3.39Å; E130-Q212 PolarHBondContact OE1-NE2 2.79Å; R133-Q212 HydrophobicContact CG-CB 4.47Å; P134-Q212 WeakPolarHBondContact CD-O 3.45Å
213R94.3Very high88Confident110 Ų11073.8 Ų73.842%0.41539%0.386SS..PPolyproline II helixtrans-70.2143.5174-175.1176.2-80-142.79.2110R133 S198 C199R133-R213 WeakPolarHBondContact CG-O 3.28Å; S198-R213 VanDerWaalsContact CB-CG 3.48Å; S198-R213 WeakPolarHBondContact OG-CD 3.43Å; S198-R213 PolarHBondContact OG-NE 3.46Å; S198-R213 PolarHBondContact OG-NH1 2.89Å; C199-R213 CarbonylContact O-C 3.48Å; C199-R213 WeakPolarHBondContact O-CA 3.4Å
214S97.4Very high86.5Confident6 Ų677.5 Ų77.54%0.04241%0.413CS..PPolyproline II helixtrans-59.7166.3173.571.20000111.6P134 C199P134-S214 WeakPolarHBondContact O-CA 3.43Å; P134-S214 VanDerWaalsContact O-CB 3.3Å; P134-S214 WeakPolarHBondContact O-CB 3.13Å; C199-S214 PolarHBondContact N-OG 3.44Å; C199-S214 PolarHBondContact O-N 3.45Å
215E96.3Very high85.2Confident130 Ų13078.4 Ų78.461%0.60743%0.433SS*.PPolyproline II helixtrans-54.9148.6159.9-63.3-52.1134.500110.6R133R133-E215 IonicContact CZ-OE1 3.81Å; R133-E215 IonicContact NH1-OE1 3.03Å; R133-E215 PolarHBondContact NH1-OE1 3Å
216V96.6Very high84.1Confident99 Ų9976.1 Ų76.160%0.642%0.417SS*.PPolyproline II helixtrans-72.7137.2-179.9-65.60000110.4T196 Y197T196-V216 HydrophobicContact CG2-CB 3.81Å; T196-V216 HydrophobicContact CG2-CG1 4.18Å; Y197-V216 WeakPolarHBondContact O-CA 3.24Å
217L96.5Very high82.9Confident29 Ų2979.4 Ų79.415%0.15244%0.439CS..EExtended strand (participates in β ladder)trans-117.6120.6176.9179.965.3000109.5L136 A138 P142 L152 Y197 I219L136-L217 HydrophobicContact CD2-CB 3.95Å; L136-L217 HydrophobicContact CD2-CD2 4.33Å; L136-L217 HydrophobicContact CG-CB 4.2Å; L136-L217 HydrophobicContact CG-CD2 3.91Å; A138-L217 HydrophobicContact CB-CD2 3.96Å; P142-L217 HydrophobicContact CB-CD1 4.42Å; L152-L217 HydrophobicContact CD2-CD2 4.01Å; Y197-L217 PolarHBondContact N-O 2.93Å; Y197-L217 PolarHBondContact O-N 3.25Å; L217-I219 HydrophobicContact CD2-CD1 4.25Å; L217-I219 HydrophobicContact CG-CD1 4.2Å
218V95.7Very high81.8Confident83 Ų8382.1 Ų82.150%0.50345%0.449SS..EExtended strand (participates in β ladder)trans-96.8125.9179.1-177.40000109.5P142 T196P142-V218 WeakPolarHBondContact CB-O 3.5Å; T196-V218 HydrophobicContact CG2-CG2 4.24Å
219I93.2Very high80.8Confident4 Ų480.1 Ų80.12%0.02144%0.441CS..EExtended strand (participates in β ladder)trans-101.2127.7171.2-52.9-58.5000108.7A138 P142 V144 L152 A193 P194 G195 Y197 L217A138-I219 HydrophobicContact CB-CD1 3.65Å; P142-I219 HydrophobicContact CB-CD1 4.22Å; P142-I219 VanDerWaalsContact O-CA 3.26Å; P142-I219 WeakPolarHBondContact O-CA 3.43Å; V144-I219 HydrophobicContact CG1-CG2 4.05Å; V144-I219 HydrophobicContact CG2-CG2 3.9Å; L152-I219 HydrophobicContact CD2-CD1 3.83Å; L152-I219 HydrophobicContact CD2-CG1 4.26Å; A193-I219 WeakPolarHBondContact O-CB 3.34Å; A193-I219 WeakPolarHBondContact O-CG2 3.33Å; P194-I219 VanDerWaalsContact CA-O 3.26Å; P194-I219 WeakPolarHBondContact CA-O 3.36Å; G195-I219 PolarHBondContact N-O 3.34Å; G195-I219 PolarHBondContact O-N 3.09Å; Y197-I219 HydrophobicContact CD2-CG1 3.85Å; Y197-I219 HydrophobicContact CE2-CB 4.27Å; Y197-I219 HydrophobicContact CE2-CG1 3.93Å; L217-I219 HydrophobicContact CD2-CD1 4.25Å; L217-I219 HydrophobicContact CG-CD1 4.2Å
220S90.9Very high80Confident52 Ų5282.8 Ų82.836%0.36446%0.458SS..EExtended strand (participates in β ladder)trans-127.1159.1-177.354.20000111.2P142 V143 V144P142-S220 PolarHBondContact O-N 3.11Å; V143-S220 WeakPolarHBondContact CA-O 3.34Å; V144-S220 WeakPolarHBondContact CG2-O 3.17Å; V144-S220 PolarHBondContact N-O 2.83Å
221W86.8Confident79.2Confident99 Ų9987.4 Ų87.438%0.37547%0.47SS..EExtended strand (participates in β ladder)trans-71.6147.9172.2-69116.4000110.4V144 G145 P146 G190 P194 D223V144-W221 HydrophobicContact CG2-CE3 3.98Å; V144-W221 HydrophobicContact CG2-CZ3 4.03Å; V144-W221 CarbonylContact O-C 3.5Å; V144-W221 WeakPolarHBondContact O-CA 2.98Å; V144-W221 VanDerWaalsContact O-CE3 3.32Å; G145-W221 WeakPolarHBondContact O-CZ3 3.32Å; P146-W221 VanDerWaalsContact CA-CZ3 3.44Å; G190-W221 VanDerWaalsContact O-CH2 3.26Å; G190-W221 WeakPolarHBondContact O-CH2 2.96Å; P194-W221 HydrophobicContact CG-CD2 3.83Å; P194-W221 HydrophobicContact CG-CE3 4.45Å; P194-W221 HydrophobicContact CG-CG 4.25Å; P194-W221 HydrophobicContact CG-CH2 4.1Å; P194-W221 HydrophobicContact CG-CZ2 3.45Å; P194-W221 VanDerWaalsContact CG-CZ2 3.45Å; W221-D223 PolarHBondContact O-N 2.85Å
222E82.3Confident78.2Confident125 Ų12588.2 Ų88.258%0.58448%0.48SS*.  trans-65.9101.9161.5-166168.3-159.300107.6V143 V144 S224V143-E222 VanDerWaalsContact CG1-CA 3.43Å; V143-E222 HydrophobicContact CG1-CB 3.8Å; V143-E222 HydrophobicContact CG1-CG 4.23Å; V144-E222 PolarHBondContact O-N 2.78Å; E222-S224 PolarHBondContact O-N 2.89Å
223D68.8Low77.6Confident152 Ų15288.4 Ų88.481%0.81348%0.484SS*.  trans-60.9104.6169.2-82.3-25.4000106.8W221 G225W221-D223 PolarHBondContact O-N 2.85Å; D223-G225 VanDerWaalsContact C-N 3.33Å; D223-G225 PolarHBondContact O-N 3.01Å
224S55Low77.2Confident97 Ų9788.9 Ų88.968%0.67849%0.494SS*.  trans-60.1103.8168.761.50000106.4E222 S226E222-S224 PolarHBondContact O-N 2.89Å; S224-S226 PolarHBondContact O-N 3.23Å
225G57.2Low76.8Confident79 Ų7992.8 Ų92.881%0.81452%0.517SS*.  trans-61.975.8165.500000109.2D223D223-G225 VanDerWaalsContact C-N 3.33Å; D223-G225 PolarHBondContact O-N 3.01Å
226S57.8Low76.4Confident67 Ų6795.4 Ų95.447%0.46952%0.521SS..  trans-157.376.9-175.5177.10000110.2S224S224-S226 PolarHBondContact O-N 3.23Å
227S53.4Low76.3Confident82 Ų8296.8 Ų96.857%0.57353%0.525SS*.SBendtrans-154.8-9.9155.1-153.40000115.2R231S227-R231 VanDerWaalsContact O-CB 3.3Å; S227-R231 WeakPolarHBondContact O-CB 3.47Å
228D54.7Low76.2Confident134 Ų13497.3 Ų97.372%0.71754%0.537SS*.Hα-helixtrans-95.8-31.5-173.1-81.3-18.8000115.5G232D228-G232 WeakPolarHBondContact O-CA 3.32Å; D228-G232 PolarHBondContact O-N 3.45Å
229Y60.7Low76.2Confident144 Ų14498.4 Ų98.457%0.56554%0.54SS*.Hα-helixtrans-72.8-41.6-177.669.7-91.9000112.1N233Y229-N233 VanDerWaalsContact O-CB 3.24Å; Y229-N233 WeakPolarHBondContact O-CB 3.46Å; Y229-N233 PolarHBondContact O-N 2.73Å; Y229-N233 PolarHBondContact O-ND2 3.08Å; Y229-N233 PolarHBondContact O-OD1 3.08Å
230T67Low76.3Confident72 Ų72100.7 Ų100.744%0.44256%0.559SS.*Hα-helixtrans-69-41.4179.1-39.50000111.3N233 L234T230-N233 PolarHBondContact O-N 2.57Å; T230-L234 WeakPolarHBondContact O-CB 3.13Å; T230-L234 PolarHBondContact O-N 3.18Å
231R71.8Confident76.5Confident176 Ų17699.6 Ų99.666%0.66456%0.556SS**Hα-helixtrans-68.7-41.6176.7-163.1175.7-176.1-178.10.6111.4S227 L234 V235S227-R231 VanDerWaalsContact O-CB 3.3Å; S227-R231 WeakPolarHBondContact O-CB 3.47Å; R231-L234 PolarHBondContact O-N 3.14Å; R231-V235 WeakPolarHBondContact O-CG2 3.06Å; R231-V235 PolarHBondContact O-N 2.9Å
232G74Confident77Confident28 Ų28100.3 Ų100.329%0.28957%0.567SS.*Hα-helixtrans-63-40.517400000113D228 V235 R236D228-G232 WeakPolarHBondContact O-CA 3.32Å; D228-G232 PolarHBondContact O-N 3.45Å; G232-V235 PolarHBondContact O-N 3.01Å; G232-R236 VanDerWaalsContact O-CG 3.27Å; G232-R236 WeakPolarHBondContact O-CG 3.42Å; G232-R236 PolarHBondContact O-N 2.88Å
233N80.1Confident77.7Confident88 Ų8898.3 Ų98.347%0.47156%0.563SS.*Hα-helixtrans-68.3-37.9176-71.9-13.7000112.2Y229 T230 R236 L237Y229-N233 VanDerWaalsContact O-CB 3.24Å; Y229-N233 WeakPolarHBondContact O-CB 3.46Å; Y229-N233 PolarHBondContact O-N 2.73Å; Y229-N233 PolarHBondContact O-ND2 3.08Å; Y229-N233 PolarHBondContact O-OD1 3.08Å; T230-N233 PolarHBondContact O-N 2.57Å; N233-R236 PolarHBondContact O-N 2.84Å; N233-L237 WeakPolarHBondContact O-CB 3.48Å; N233-L237 WeakPolarHBondContact O-CG 3.47Å; N233-L237 PolarHBondContact O-N 3.38Å
234L86Confident79Confident121 Ų12196.9 Ų96.963%0.63455%0.554SS**Hα-helixtrans-62.7-43173.8-110144.7000112.2T230 R231 L237 G238T230-L234 WeakPolarHBondContact O-CB 3.13Å; T230-L234 PolarHBondContact O-N 3.18Å; R231-L234 PolarHBondContact O-N 3.14Å; L234-L237 PolarHBondContact O-N 2.83Å; L234-G238 PolarHBondContact O-N 2Å
235V88.5Confident80.9Confident87 Ų8798 Ų9853%0.52755%0.551SS.*Hα-helixtrans-63.8-42.3175.2173.30000110.9R231 G232 G238 L239R231-V235 WeakPolarHBondContact O-CG2 3.06Å; R231-V235 PolarHBondContact O-N 2.9Å; G232-V235 PolarHBondContact O-N 3.01Å; V235-G238 PolarHBondContact O-N 2.79Å; V235-L239 HydrophobicContact CG1-CD1 4.03Å; V235-L239 WeakPolarHBondContact O-CB 3.23Å; V235-L239 WeakPolarHBondContact O-CG 3.34Å; V235-L239 PolarHBondContact O-N 2.83Å
236R88.3Confident82.7Confident185 Ų18597.1 Ų97.170%0.69853%0.533SS*.Hα-helixtrans-63.7-43.2176.5-72.4172.2-176.2-119.62.7112.4G232 N233 L239 A240G232-R236 VanDerWaalsContact O-CG 3.27Å; G232-R236 WeakPolarHBondContact O-CG 3.42Å; G232-R236 PolarHBondContact O-N 2.88Å; N233-R236 PolarHBondContact O-N 2.84Å; R236-L239 PolarHBondContact O-N 2.85Å; R236-A240 WeakPolarHBondContact O-CB 3.2Å; R236-A240 PolarHBondContact O-N 2.85Å
237L93.6Very high84.5Confident128 Ų12898.4 Ų98.467%0.6753%0.534SS*.Hα-helixtrans-65-41.3175.6-79.9162.1000111.8N233 L234 A240 G241N233-L237 WeakPolarHBondContact O-CB 3.48Å; N233-L237 WeakPolarHBondContact O-CG 3.47Å; N233-L237 PolarHBondContact O-N 3.38Å; L234-L237 PolarHBondContact O-N 2.83Å; L237-A240 PolarHBondContact O-N 2.85Å; L237-G241 PolarHBondContact O-N 2.94Å
238G94Very high86.5Confident40 Ų4096.3 Ų96.341%0.41253%0.525SS..Hα-helixtrans-62.4-44.8175.800000112.7L234 V235 G241 L242L234-G238 PolarHBondContact O-N 2Å; V235-G238 PolarHBondContact O-N 2.79Å; G238-G241 PolarHBondContact O-N 2.91Å; G238-L242 PolarHBondContact O-N 2.92Å
239L95.6Very high88.4Confident107 Ų10792.5 Ų92.556%0.5651%0.512SS*.Hα-helixtrans-62.7-44.1175.2-79.7163.8000111.9V235 R236 G241 L242 V243V235-L239 HydrophobicContact CG1-CD1 4.03Å; V235-L239 WeakPolarHBondContact O-CB 3.23Å; V235-L239 WeakPolarHBondContact O-CG 3.34Å; V235-L239 PolarHBondContact O-N 2.83Å; R236-L239 PolarHBondContact O-N 2.85Å; L239-G241 VanDerWaalsContact C-N 3.33Å; L239-G241 PolarHBondContact O-N 3.21Å; L239-L242 PolarHBondContact O-N 3.43Å; L239-V243 WeakPolarHBondContact O-CG2 3.29Å; L239-V243 PolarHBondContact O-N 2.61Å; L239-V243 VanDerWaalsContact O-N 3.09Å
240A95.1Very high90Very high52 Ų5291.2 Ų91.243%0.4352%0.515SS..Hα-helixtrans-61.2-41.7176.200000112R236 L237 V243 L244R236-A240 WeakPolarHBondContact O-CB 3.2Å; R236-A240 PolarHBondContact O-N 2.85Å; L237-A240 PolarHBondContact O-N 2.85Å; A240-V243 PolarHBondContact O-N 3.16Å; A240-L244 WeakPolarHBondContact O-CG 3.07Å; A240-L244 PolarHBondContact O-N 3.13Å
241G96Very high91.2Very high28 Ų2892.7 Ų92.729%0.28952%0.523SS..Hα-helixtrans-60.4-44.6175.200000113L237 G238 L239 V243 L244 I245L237-G241 PolarHBondContact O-N 2.94Å; G238-G241 PolarHBondContact O-N 2.91Å; L239-G241 VanDerWaalsContact C-N 3.33Å; L239-G241 PolarHBondContact O-N 3.21Å; G241-V243 PolarHBondContact O-N 3.23Å; G241-L244 PolarHBondContact O-N 2.91Å; G241-I245 VanDerWaalsContact O-CG1 3.29Å; G241-I245 WeakPolarHBondContact O-CG1 3.4Å; G241-I245 PolarHBondContact O-N 3.16Å
242L97Very high92.2Very high115 Ų11588.1 Ų88.160%0.60252%0.515SS*.Hα-helixtrans-62.5-39.6177-82.4166.2000112.8G238 L239 I245 S246G238-L242 PolarHBondContact O-N 2.92Å; L239-L242 PolarHBondContact O-N 3.43Å; L242-I245 PolarHBondContact O-N 3.39Å; L242-S246 WeakPolarHBondContact O-CB 3.4Å; L242-S246 PolarHBondContact O-N 3.17Å; L242-S246 PolarHBondContact O-OG 2.82Å
243V96.5Very high92.8Very high82 Ų8294.1 Ų94.150%0.49753%0.533SS..Hα-helixtrans-64-42.91761730000110.9L239 A240 G241 S246 L247L239-V243 WeakPolarHBondContact O-CG2 3.29Å; L239-V243 PolarHBondContact O-N 2.61Å; L239-V243 VanDerWaalsContact O-N 3.09Å; A240-V243 PolarHBondContact O-N 3.16Å; G241-V243 PolarHBondContact O-N 3.23Å; V243-S246 WeakPolarHBondContact CA-OG 3.41Å; V243-S246 PolarHBondContact O-N 3.5Å; V243-S246 PolarHBondContact O-OG 3.07Å; V243-L247 HydrophobicContact CG1-CD1 3.91Å; V243-L247 WeakPolarHBondContact O-CB 3.37Å; V243-L247 WeakPolarHBondContact O-CG 3.34Å; V243-L247 PolarHBondContact O-N 2.88Å
244L96Very high93.2Very high122 Ų12294 Ų9464%0.63953%0.533SS*.Hα-helixtrans-66.3-39.9177.8-69.8173.9000112.4A240 G241 L247 G248A240-L244 WeakPolarHBondContact O-CG 3.07Å; A240-L244 PolarHBondContact O-N 3.13Å; G241-L244 PolarHBondContact O-N 2.91Å; L244-L247 PolarHBondContact O-N 3.27Å; L244-G248 PolarHBondContact O-N 2.8Å
245I96.4Very high93.1Very high121 Ų12195.6 Ų95.662%0.62153%0.53SS*.Hα-helixtrans-63.9-43.9176.9-68.8165.8000110.8G241 L242 G248 A249G241-I245 VanDerWaalsContact O-CG1 3.29Å; G241-I245 WeakPolarHBondContact O-CG1 3.4Å; G241-I245 PolarHBondContact O-N 3.16Å; L242-I245 PolarHBondContact O-N 3.39Å; I245-G248 PolarHBondContact O-N 2.83Å; I245-A249 WeakPolarHBondContact O-CB 3.23Å; I245-A249 PolarHBondContact O-N 3.05Å
246S95.1Very high92.9Very high60 Ų6099.1 Ų99.142%0.4253%0.534SS..Hα-helixtrans-66.5-41.1178.843.30000112.4L242 V243 A249 L250L242-S246 WeakPolarHBondContact O-CB 3.4Å; L242-S246 PolarHBondContact O-N 3.17Å; L242-S246 PolarHBondContact O-OG 2.82Å; V243-S246 WeakPolarHBondContact CA-OG 3.41Å; V243-S246 PolarHBondContact O-N 3.5Å; V243-S246 PolarHBondContact O-OG 3.07Å; S246-A249 PolarHBondContact O-N 3.01Å; S246-L250 WeakPolarHBondContact O-CG 3.17Å; S246-L250 PolarHBondContact O-N 2.83Å
247L95.6Very high92.4Very high95 Ų9593.5 Ų93.550%0.49752%0.524SS..Hα-helixtrans-62.6-43.5172.2-73.2166000112V243 L244 A249 L250 V251V243-L247 HydrophobicContact CG1-CD1 3.91Å; V243-L247 WeakPolarHBondContact O-CB 3.37Å; V243-L247 WeakPolarHBondContact O-CG 3.34Å; V243-L247 PolarHBondContact O-N 2.88Å; L244-L247 PolarHBondContact O-N 3.27Å; L247-A249 VanDerWaalsContact C-N 3.32Å; L247-A249 PolarHBondContact O-N 3.37Å; L247-L250 PolarHBondContact O-N 2.92Å; L247-V251 WeakPolarHBondContact O-CG2 3.46Å; L247-V251 PolarHBondContact O-N 3.42Å
248G95.2Very high91.5Very high37 Ų3793.3 Ų93.338%0.38152%0.519SS..Hα-helixtrans-61.3-39.4176.200000112.9L244 I245 T252L244-G248 PolarHBondContact O-N 2.8Å; I245-G248 PolarHBondContact O-N 2.83Å; G248-T252 PolarHBondContact O-N 3.06Å; G248-T252 PolarHBondContact O-OG1 3.47Å
249A94.6Very high90.2Very high55 Ų5596.5 Ų96.546%0.45553%0.527SS..Hα-helixtrans-64.5-40.9174.600000112.2I245 S246 L247 T252 F253I245-A249 WeakPolarHBondContact O-CB 3.23Å; I245-A249 PolarHBondContact O-N 3.05Å; S246-A249 PolarHBondContact O-N 3.01Å; L247-A249 VanDerWaalsContact C-N 3.32Å; L247-A249 PolarHBondContact O-N 3.37Å; A249-T252 WeakPolarHBondContact CA-OG1 3.42Å; A249-T252 PolarHBondContact O-OG1 3.48Å; A249-T252 VanDerWaalsContact O-OG1 3.05Å; A249-F253 VanDerWaalsContact O-CB 3.27Å; A249-F253 WeakPolarHBondContact O-CB 3.49Å; A249-F253 PolarHBondContact O-N 3.08Å
250L93.4Very high88.7Confident117 Ų117100.9 Ų100.961%0.61354%0.536SS*.Hα-helixtrans-64.5-45176.5-73169.9000111.9S246 L247 F253 D254S246-L250 WeakPolarHBondContact O-CG 3.17Å; S246-L250 PolarHBondContact O-N 2.83Å; L247-L250 PolarHBondContact O-N 2.92Å; L250-F253 PolarHBondContact O-N 3.2Å; L250-D254 WeakPolarHBondContact O-CB 3.33Å; L250-D254 PolarHBondContact O-N 3.09Å
251V92.9Very high86.9Confident103 Ų103101.9 Ų101.962%0.62454%0.544SS*.Hα-helixtrans-64-42.8178.3173.10000111.3L247 F253 D254 W255L247-V251 WeakPolarHBondContact O-CG2 3.46Å; L247-V251 PolarHBondContact O-N 3.42Å; V251-F253 VanDerWaalsContact C-N 3.33Å; V251-F253 PolarHBondContact O-N 3.35Å; V251-D254 PolarHBondContact O-N 3.23Å; V251-W255 VanDerWaalsContact O-CB 3.29Å; V251-W255 WeakPolarHBondContact O-CB 3.37Å; V251-W255 PolarHBondContact O-N 2.83Å
252T91.7Very high84.9Confident79 Ų79106.4 Ų106.449%0.48557%0.568SS.*Hα-helixtrans-67.8-34.3177.138.90000112.5G248 A249 R256G248-T252 PolarHBondContact O-N 3.06Å; G248-T252 PolarHBondContact O-OG1 3.47Å; A249-T252 WeakPolarHBondContact CA-OG1 3.42Å; A249-T252 PolarHBondContact O-OG1 3.48Å; A249-T252 VanDerWaalsContact O-OG1 3.05Å; T252-R256 WeakPolarHBondContact O-CB 3.29Å; T252-R256 WeakPolarHBondContact O-CG 3.11Å; T252-R256 PolarHBondContact O-N 2.97Å
253F87.9Confident82.9Confident154 Ų154106 Ų10668%0.67558%0.581SS**Hα-helixtrans-66.4-46.6173.6-169.7-92.5000111.7A249 L250 V251 R256 S257A249-F253 VanDerWaalsContact O-CB 3.27Å; A249-F253 WeakPolarHBondContact O-CB 3.49Å; A249-F253 PolarHBondContact O-N 3.08Å; L250-F253 PolarHBondContact O-N 3.2Å; V251-F253 VanDerWaalsContact C-N 3.33Å; V251-F253 PolarHBondContact O-N 3.35Å; F253-R256 PolarHBondContact O-N 2.91Å; F253-S257 WeakPolarHBondContact O-CB 3.17Å; F253-S257 PolarHBondContact O-N 2.77Å
254D87.3Confident80.7Confident85 Ų85105.8 Ų105.846%0.45560%0.596SS.*Hα-helixtrans-63.3-44.4177.4-171.754.6000111.8L250 V251 R256 S257 Q258L250-D254 WeakPolarHBondContact O-CB 3.33Å; L250-D254 PolarHBondContact O-N 3.09Å; V251-D254 PolarHBondContact O-N 3.23Å; D254-R256 VanDerWaalsContact C-N 3.34Å; D254-R256 PolarHBondContact O-N 2.85Å; D254-S257 WeakPolarHBondContact O-CA 3.35Å; D254-S257 WeakPolarHBondContact O-CB 2.86Å; D254-S257 PolarHBondContact O-N 2.81Å; D254-Q258 WeakPolarHBondContact O-CG 3.5Å; D254-Q258 PolarHBondContact O-N 3.43Å; D254-Q258 PolarHBondContact OD2-NE2 3.18Å
255W85.3Confident78.6Confident155 Ų155107.9 Ų107.959%0.58761%0.606SS**Hα-helixtrans-59.9-42174.9-179.468000112.6V251 S257 N259V251-W255 VanDerWaalsContact O-CB 3.29Å; V251-W255 WeakPolarHBondContact O-CB 3.37Å; V251-W255 PolarHBondContact O-N 2.83Å; W255-S257 VanDerWaalsContact C-N 3.32Å; W255-S257 PolarHBondContact O-N 3.5Å; W255-N259 VanDerWaalsContact CZ2-ND2 3.3Å; W255-N259 WeakPolarHBondContact CZ2-ND2 3.27Å; W255-N259 PolarHBondContact NE1-ND2 3.38Å; W255-N259 WeakPolarHBondContact O-CB 3.45Å; W255-N259 PolarHBondContact O-N 2.69Å
256R83Confident76.1Confident161 Ų161113.3 Ų113.361%0.60862%0.619SS**Hα-helixtrans-66.4-33173.4-84.5-176176.9-177.91.4112.7T252 F253 D254 R260T252-R256 WeakPolarHBondContact O-CB 3.29Å; T252-R256 WeakPolarHBondContact O-CG 3.11Å; T252-R256 PolarHBondContact O-N 2.97Å; F253-R256 PolarHBondContact O-N 2.91Å; D254-R256 VanDerWaalsContact C-N 3.34Å; D254-R256 PolarHBondContact O-N 2.85Å; R256-R260 WeakPolarHBondContact O-CB 3.19Å; R256-R260 VanDerWaalsContact O-CG 3.25Å; R256-R260 WeakPolarHBondContact O-CG 3.44Å; R256-R260 PolarHBondContact O-N 3.13Å
257S77.9Confident74.3Confident68 Ų68119.7 Ų119.748%0.47666%0.659SS.*Hα-helixtrans-68-48.5176.8-175.40000111.1F253 D254 W255 N259 R260 A261F253-S257 WeakPolarHBondContact O-CB 3.17Å; F253-S257 PolarHBondContact O-N 2.77Å; D254-S257 WeakPolarHBondContact O-CA 3.35Å; D254-S257 WeakPolarHBondContact O-CB 2.86Å; D254-S257 PolarHBondContact O-N 2.81Å; W255-S257 VanDerWaalsContact C-N 3.32Å; W255-S257 PolarHBondContact O-N 3.5Å; S257-N259 PolarHBondContact O-N 3.29Å; S257-R260 PolarHBondContact O-N 3.24Å; S257-A261 PolarHBondContact O-N 3.2Å
258Q74.7Confident73.3Confident123 Ų123121 Ų12158%0.57567%0.667SS**Hα-helixtrans-62.8-41.5177.7-69.2-1809.300112.1D254 R260 A261D254-Q258 WeakPolarHBondContact O-CG 3.5Å; D254-Q258 PolarHBondContact O-N 3.43Å; D254-Q258 PolarHBondContact OD2-NE2 3.18Å; Q258-R260 PolarHBondContact O-N 3.41Å; Q258-A261 PolarHBondContact O-N 2.8Å
259N66.4Low72.1Confident108 Ų108125.4 Ų125.458%0.57868%0.682SS**THydrogen-bonded Turntrans-68.3-12.5174.7-78.4-12.7000114W255 S257W255-N259 VanDerWaalsContact CZ2-ND2 3.3Å; W255-N259 WeakPolarHBondContact CZ2-ND2 3.27Å; W255-N259 PolarHBondContact NE1-ND2 3.38Å; W255-N259 WeakPolarHBondContact O-CB 3.45Å; W255-N259 PolarHBondContact O-N 2.69Å; S257-N259 PolarHBondContact O-N 3.29Å
260R64.5Low70.9Confident199 Ų199129.3 Ų129.375%0.75170%0.695SS**THydrogen-bonded Turntrans-98.1-2.5176.2-78179.9178.2-176.1-0.5113.6R256 S257 Q258 P262R256-R260 WeakPolarHBondContact O-CB 3.19Å; R256-R260 VanDerWaalsContact O-CG 3.25Å; R256-R260 WeakPolarHBondContact O-CG 3.44Å; R256-R260 PolarHBondContact O-N 3.13Å; S257-R260 PolarHBondContact O-N 3.24Å; Q258-R260 PolarHBondContact O-N 3.41Å; R260-P262 WeakPolarHBondContact O-CD 3.38Å
261A57.3Low69.5Low73 Ų73130 Ų13060%0.60370%0.7SS**SBendtrans-72.1119172.800000110.2S257 Q258S257-A261 PolarHBondContact O-N 3.2Å; Q258-A261 PolarHBondContact O-N 2.8Å
262P55Low68.1Low123 Ų123131.7 Ų131.780%0.79970%0.704SS**  trans-73.3142.6177.3-8.524.4000111.2R260 G264R260-P262 WeakPolarHBondContact O-CD 3.38Å; P262-G264 PolarHBondContact O-N 3.15Å; P262-G264 VanDerWaalsContact O-N 3.11Å
263A54.8Low66.5Low105 Ų105135.2 Ų135.287%0.86872%0.719SS**  trans-56.7111.3173.300000111.5
264G50.3Low65Low79 Ų79133.9 Ų133.981%0.81472%0.722SS**  trans-82116166.400000110.9P262P262-G264 PolarHBondContact O-N 3.15Å; P262-G264 VanDerWaalsContact O-N 3.11Å
265I52.1Low63.2Low166 Ų166137.6 Ų137.685%0.85174%0.743SS**  trans-25.5131.4170.4-68.3149.3000116.3
266R43Very low61.4Low235 Ų235136.2 Ų136.289%0.88776%0.756SS**  trans-69.4147.6164-76.1-178.4-177.3173.10111.6
267P57.9Low59.4Low194 Ų194133.9 Ų133.9100%1.2677%0.769SS**  -89.20129.529.6-20.5000111.3

Retrieved 267 of 267 residues in 48.2 ms (Link to these results)