A0A087XIQ3_POEFO Loading...

Potassium channel tetramerization domain containing 16b

Auxiliary subunit of GABA-B receptors that determine the pharmacology and kinetics of the receptor response. Increases agonist potency and markedly alter the G-protein signaling of the receptors by accelerating onset and promoting desensitization.

AlphaFold DB , UniProt , Accession A0A087XIQ3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 429 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M39.1Very low38Very low246 Ų246146.1 Ų146.1100%1.21285%0.85SS**  0132.20-70.2178.9-158.100108.5
2A38.5Very low38.3Very low98 Ų98149.9 Ų149.981%0.8185%0.849SS**  trans56.889158.700000120.6
3L35.6Very low38.4Very low168 Ų168149.3 Ų149.388%0.8884%0.842SS**  trans0.6121130.4-54.8171000116.8
4S35.9Very low38.4Very low121 Ų121151.6 Ų151.685%0.84685%0.85SS**  71.6128.585.1-171.60000115.3
5G33.5Very low38.9Very low73 Ų73154.3 Ų154.375%0.75385%0.853SS**  trans165.780162.700000116.8
6N35.6Very low38.7Very low145 Ų145149.9 Ų149.978%0.77584%0.843SS**  trans-48143.9172.3-75.96.8000115.3R8N6-R8 PolarHBondContact O-N 3.18Å
7C40.9Very low38.8Very low137 Ų137147.9 Ų147.993%0.92684%0.841SS**  trans-53.5114.1154.8-60.40000110
8R34.9Very low39Very low223 Ų223147.4 Ų147.484%0.84284%0.841SS**  trans-119.4116.4162.3-79.3-175.5176.9177-0.1108.3N6N6-R8 PolarHBondContact O-N 3.18Å
9T47.9Very low39.4Very low130 Ų130147.4 Ų147.480%0.79883%0.833SS**  trans-58.4153.7152.846.80000109.7
10I35.9Very low39.8Very low156 Ų156145.2 Ų145.280%0.882%0.819SS**  trans148142.3160.4-80.6155.7000108.8
11P40.2Very low41.2Very low110 Ų110142.2 Ų142.271%0.71481%0.808SS**  cis-139.9175.1-25.937.2-16.9000114.5
12K41.6Very low43.1Very low192 Ų192131.9 Ų131.984%0.83576%0.756SS**SBendtrans-68.4151.7154.2-75.6176.7174177.30109.7
13D39.7Very low45.3Very low142 Ų142130.7 Ų130.776%0.75974%0.74SS**  trans82.990.9170.2-56.3-29.7000118.1
14L38.7Very low47.8Very low182 Ų182127.5 Ų127.595%0.95372%0.724SS**  trans-128.277.7140.9-127.186.8000108.2A16L14-A16 PolarHBondContact O-N 3.49Å
15Q45.2Very low50.6Low192 Ų192125.4 Ų125.490%0.89771%0.706SS**  trans-78.6106.8154.1-94.3-176.2-000107.7
16A36.1Very low53.4Low83 Ų83122 Ų12269%0.68667%0.67SS**SBendtrans-175.2117.2143.500000110.9L14L14-A16 PolarHBondContact O-N 3.49Å
17S40.2Very low56.3Low117 Ų117119 Ų11982%0.81865%0.651SS**  trans8044159.878.40000119.8Q19S17-Q19 PolarHBondContact O-N 3.13Å
18V43.5Very low58.9Low139 Ų139112.4 Ų112.484%0.84261%0.607SS**  trans-83.6100152.9-169.80000107.5N20V18-N20 PolarHBondContact O-N 3.27Å; V18-N20 VanDerWaalsContact O-N 3.13Å
19Q45.8Very low61.9Low147 Ų147102.5 Ų102.569%0.68757%0.571SS**  trans-43.4120.6172.2-65.8176.3-20.700109.1S17 S21S17-Q19 PolarHBondContact O-N 3.13Å; Q19-S21 PolarHBondContact O-N 3.22Å; Q19-S21 PolarHBondContact O-OG 2.88Å
20N48.2Very low64.2Low102 Ų10296.3 Ų96.355%0.54553%0.533SS..  trans-51.987.1170.3-90.75000109.2V18 K57V18-N20 PolarHBondContact O-N 3.27Å; V18-N20 VanDerWaalsContact O-N 3.13Å; N20-K57 HydrophobicContact CB-CD 4.23Å; N20-K57 VanDerWaalsContact CB-CE 3.48Å; N20-K57 HydrophobicContact CB-CG 3.74Å; N20-K57 WeakPolarHBondContact O-CD 3.42Å; N20-K57 WeakPolarHBondContact O-CE 3.32Å; N20-K57 VanDerWaalsContact O-CG 3.31Å; N20-K57 WeakPolarHBondContact O-CG 3.47Å
21S69.3Low67Low83 Ų8391 Ų9158%0.5852%0.517SS*.  trans-130133.2179.449.60000104.4Q19Q19-S21 PolarHBondContact O-N 3.22Å; Q19-S21 PolarHBondContact O-OG 2.88Å
22F77.4Confident69.5Low30 Ų3088.6 Ų88.613%0.13251%0.512CS..  trans-59.1141.3176.5-69.8-85.3000108.5H39 F54F22-H39 HydrophobicContact CB-CB 4.32Å; F22-H39 WeakPolarHBondContact CB-CD2 3.39Å; F22-H39 AromaticContact CD2-CD2 3.69Å; F22-H39 AromaticContact CD2-NE2 3.3Å; F22-H39 VanDerWaalsContact CD2-NE2 3.3Å; F22-H39 WeakPolarHBondContact CD2-NE2 3.3Å; F22-H39 AromaticContact CG-CD2 3.54Å; F22-H39 AromaticContact CG-NE2 3.68Å; F22-F54 AromaticContact CD1-CD1 3.71Å; F22-F54 HydrophobicContact CD1-CD1 3.71Å; F22-F54 HydrophobicContact CD1-CE1 4.23Å; F22-F54 VanDerWaalsContact CD2-O 3.3Å; F22-F54 WeakPolarHBondContact CD2-O 3.35Å; F22-F54 AromaticContact CE1-CD1 3.49Å; F22-F54 HydrophobicContact CE1-CD1 3.49Å; F22-F54 VanDerWaalsContact CE1-CD1 3.49Å; F22-F54 AromaticContact CE1-CE1 3.98Å; F22-F54 HydrophobicContact CE1-CE1 3.98Å; F22-F54 HydrophobicContact CE1-CG 4.44Å; F22-F54 WeakPolarHBondContact CE2-O 3.02Å; F22-F54 HydrophobicContact CG-CD1 4.39Å; F22-F54 HydrophobicContact CZ-CB 4.45Å; F22-F54 HydrophobicContact CZ-CD1 4.03Å
23P84.9Confident72.1Confident73 Ų7383.1 Ų83.147%0.47449%0.489SS..  trans-58.2150173.526.6-34.4000109.8V25 V26P23-V25 WeakPolarHBondContact CB-O 3.21Å; P23-V25 WeakPolarHBondContact CG-O 3.42Å; P23-V25 PolarHBondContact O-N 2.65Å; P23-V26 HydrophobicContact CG-CG2 4.48Å
24D88.5Confident74.9Confident101 Ų10178.1 Ų78.154%0.5446%0.464SS..SBendtrans-56-39179.7-177.139.7000111.1R38 H39D24-R38 CarbonylContact O-C 3.53Å; D24-R38 WeakPolarHBondContact O-CA 3.17Å; D24-R38 IonicContact OD2-NH1 3.99Å; D24-H39 PolarHBondContact O-N 3.39Å
25V93.9Very high77.7Confident77 Ų7771.1 Ų71.147%0.46743%0.425SS..EExtended strand (participates in β ladder)trans-103.7126.4171.4-177.80000109.9P23 Y36 T37P23-V25 WeakPolarHBondContact CB-O 3.21Å; P23-V25 WeakPolarHBondContact CG-O 3.42Å; P23-V25 PolarHBondContact O-N 2.65Å; V25-Y36 HydrophobicContact CG1-CD1 4.39Å; V25-T37 WeakPolarHBondContact CA-O 3.44Å
26V93.8Very high80.1Confident0 Ų068 Ų680%041%0.406CS..EExtended strand (participates in β ladder)trans-112.2131.6-179.5-178.20000109.6P23 L28 T37 H39 L42 F54 Y71P23-V26 HydrophobicContact CG-CG2 4.48Å; V26-L28 HydrophobicContact CG1-CD2 3.78Å; V26-L28 HydrophobicContact CG1-CG 4.4Å; V26-T37 PolarHBondContact N-O 3.29Å; V26-T37 PolarHBondContact O-N 3.44Å; V26-T37 VanDerWaalsContact O-N 3.12Å; V26-H39 HydrophobicContact CG2-CB 4.08Å; V26-L42 HydrophobicContact CB-CD1 4.08Å; V26-L42 HydrophobicContact CG1-CD1 3.98Å; V26-L42 HydrophobicContact CG2-CD1 4.33Å; V26-F54 HydrophobicContact CG1-CD1 4.47Å; V26-F54 HydrophobicContact CG1-CE1 3.76Å; V26-F54 HydrophobicContact CG1-CZ 4.32Å; V26-Y71 HydrophobicContact CG1-CD2 3.68Å; V26-Y71 HydrophobicContact CG1-CE2 3.9Å
27E95.4Very high83Confident82 Ų8264.4 Ų64.438%0.38338%0.375SS..EExtended strand (participates in β ladder)trans-96.2124.2174.2-55-166.7-167.300110.8Y36 R70 Y71E27-Y36 HydrophobicContact CB-CE1 4.42Å; E27-Y36 HydrophobicContact CG-CD1 3.77Å; E27-Y36 HydrophobicContact CG-CE1 3.46Å; E27-Y36 VanDerWaalsContact CG-CE1 3.46Å; E27-Y36 WeakPolarHBondContact OE1-CE1 3.36Å; E27-R70 HydrophobicContact CB-CB 4.28Å; E27-R70 HydrophobicContact CB-CG 3.91Å; E27-R70 WeakPolarHBondContact OE2-CD 3.46Å; E27-R70 WeakPolarHBondContact OE2-CG 3.31Å; E27-Y71 PolarHBondContact O-N 3.07Å
28L96.1Very high85.6Confident0 Ų065.9 Ų65.90%036%0.363CS..EExtended strand (participates in β ladder)trans-116.6134.8178.6-54.4179.5000109.8V26 V30 V34 Y35 T37 L42 F54 Y71 F80V26-L28 HydrophobicContact CG1-CD2 3.78Å; V26-L28 HydrophobicContact CG1-CG 4.4Å; L28-V30 HydrophobicContact CB-CG2 4.25Å; L28-V34 CarbonylContact O-C 3.58Å; L28-V34 VanDerWaalsContact O-CA 3.3Å; L28-V34 WeakPolarHBondContact O-CA 3.44Å; L28-Y35 PolarHBondContact N-O 2.93Å; L28-Y35 PolarHBondContact O-N 3.39Å; L28-T37 HydrophobicContact CD1-CG2 4.2Å; L28-L42 HydrophobicContact CD1-CD1 4.28Å; L28-L42 HydrophobicContact CD1-CD2 3.98Å; L28-L42 HydrophobicContact CD2-CD1 4.4Å; L28-F54 HydrophobicContact CD2-CE1 4.38Å; L28-F54 HydrophobicContact CD2-CE2 4.27Å; L28-F54 HydrophobicContact CD2-CZ 3.62Å; L28-Y71 CarbonylContact C-O 3.56Å; L28-Y71 WeakPolarHBondContact CA-O 3.35Å; L28-Y71 HydrophobicContact CD2-CD2 4.43Å; L28-Y71 HydrophobicContact CD2-CG 4.5Å; L28-F80 HydrophobicContact CD1-CE1 4.05Å; L28-F80 HydrophobicContact CD1-CZ 3.92Å
29N96.9Very high88Confident14 Ų1461.4 Ų61.48%0.07533%0.333CS..EExtended strand (participates in β ladder)trans-109.3105.9167.9-179.8-9.4000108.5G32 D66 R70 Y71 F72 I73N29-G32 WeakPolarHBondContact OD1-CA 3.43Å; N29-G32 PolarHBondContact OD1-N 2.99Å; N29-D66 PolarHBondContact ND2-OD2 3.09Å; N29-R70 HydrophobicContact CB-CB 4.46Å; N29-Y71 PolarHBondContact N-O 3.19Å; N29-F72 HydrophobicContact CB-CD2 4.15Å; N29-F72 CarbonylContact O-C 3.48Å; N29-F72 WeakPolarHBondContact O-CA 3.16Å; N29-F72 WeakPolarHBondContact O-CD2 3.43Å; N29-I73 PolarHBondContact O-N 2.93Å
30V97.3Very high90.2Very high0 Ų057.6 Ų57.60%032%0.323CS..EExtended strand (participates in β ladder)trans-107.2103-177.1-170.10000109.2L28 G32 Q33 Y35 I73 R75 G77 F80L28-V30 HydrophobicContact CB-CG2 4.25Å; V30-G32 PolarHBondContact O-N 2.88Å; V30-G32 VanDerWaalsContact O-N 3.1Å; V30-Q33 PolarHBondContact N-O 3.13Å; V30-Q33 WeakPolarHBondContact O-CB 3.38Å; V30-Q33 PolarHBondContact O-N 3.36Å; V30-Y35 HydrophobicContact CB-CD2 4.44Å; V30-Y35 HydrophobicContact CG2-CD2 4.13Å; V30-I73 CarbonylContact C-O 3.51Å; V30-I73 WeakPolarHBondContact CA-O 3.34Å; V30-I73 HydrophobicContact CB-CB 4.49Å; V30-I73 HydrophobicContact CG1-CB 4.24Å; V30-I73 HydrophobicContact CG1-CG2 4.18Å; V30-I73 HydrophobicContact CG2-CB 4.19Å; V30-I73 HydrophobicContact CG2-CD1 4.18Å; V30-R75 CarbonylContact C-O 3.59Å; V30-R75 HydrophobicContact CG1-CB 4Å; V30-G77 WeakPolarHBondContact O-CA 3.38Å; V30-F80 HydrophobicContact CB-CB 4.38Å; V30-F80 HydrophobicContact CB-CD1 4.44Å; V30-F80 HydrophobicContact CB-CG 4.27Å; V30-F80 HydrophobicContact CG1-CB 3.94Å; V30-F80 HydrophobicContact CG1-CD2 4.14Å; V30-F80 HydrophobicContact CG1-CG 3.99Å; V30-F80 HydrophobicContact CG2-CD1 3.75Å; V30-F80 HydrophobicContact CG2-CD2 4.22Å; V30-F80 HydrophobicContact CG2-CE1 3.92Å; V30-F80 HydrophobicContact CG2-CE2 4.38Å; V30-F80 HydrophobicContact CG2-CG 3.9Å; V30-F80 HydrophobicContact CG2-CZ 4.23Å
31G94.4Very high92.5Very high46 Ų4653.7 Ų53.747%0.47430%0.302SS..THydrogen-bonded Turntrans56.427.6-179.600000114.5I73 R75G31-I73 PolarHBondContact N-O 3.1Å; G31-R75 WeakPolarHBondContact CA-O 3.45Å; G31-R75 PolarHBondContact N-O 3.16Å
32G92.6Very high93.7Very high58 Ų5849.8 Ų49.860%0.59828%0.275SS*.THydrogen-bonded Turntrans99.9-15.3-175.500000114.7N29 V30N29-G32 WeakPolarHBondContact OD1-CA 3.43Å; N29-G32 PolarHBondContact OD1-N 2.99Å; V30-G32 PolarHBondContact O-N 2.88Å; V30-G32 VanDerWaalsContact O-N 3.1Å
33Q96.9Very high94.4Very high78 Ų7850 Ų5036%0.36428%0.279SS..EExtended strand (participates in β ladder)trans-88.9125.1176-174.757.860.800110.9V30 Y35V30-Q33 PolarHBondContact N-O 3.13Å; V30-Q33 WeakPolarHBondContact O-CB 3.38Å; V30-Q33 PolarHBondContact O-N 3.36Å; Q33-Y35 HydrophobicContact CB-CE2 3.91Å; Q33-Y35 HydrophobicContact CG-CD2 4.06Å; Q33-Y35 HydrophobicContact CG-CE2 3.32Å
34V97.1Very high94.6Very high36 Ų3648.5 Ų48.522%0.21828%0.276CS..EExtended strand (participates in β ladder)trans-90.2133.3-179.2-175.50000110.4L28 Y36L28-V34 CarbonylContact O-C 3.58Å; L28-V34 VanDerWaalsContact O-CA 3.3Å; L28-V34 WeakPolarHBondContact O-CA 3.44Å; V34-Y36 HydrophobicContact CG1-CD2 4.46Å; V34-Y36 HydrophobicContact CG1-CE2 3.79Å
35Y97.7Very high94.7Very high35 Ų3545 Ų4514%0.13726%0.258CS..EExtended strand (participates in β ladder)trans-127144.3176.1-72.6-84.5000111.1L28 V30 Q33 G77 F80 R81 L84L28-Y35 PolarHBondContact N-O 2.93Å; L28-Y35 PolarHBondContact O-N 3.39Å; V30-Y35 HydrophobicContact CB-CD2 4.44Å; V30-Y35 HydrophobicContact CG2-CD2 4.13Å; Q33-Y35 HydrophobicContact CB-CE2 3.91Å; Q33-Y35 HydrophobicContact CG-CD2 4.06Å; Q33-Y35 HydrophobicContact CG-CE2 3.32Å; Y35-G77 WeakPolarHBondContact CE2-O 3.4Å; Y35-G77 VanDerWaalsContact CZ-O 3.24Å; Y35-G77 PolarHBondContact OH-O 3.41Å; Y35-F80 HydrophobicContact CD1-CD1 4.39Å; Y35-F80 AromaticContact CD2-CD1 3.58Å; Y35-F80 HydrophobicContact CD2-CD1 3.58Å; Y35-F80 HydrophobicContact CD2-CE1 4.19Å; Y35-F80 HydrophobicContact CE2-CB 4.09Å; Y35-F80 AromaticContact CE2-CD1 3.7Å; Y35-F80 HydrophobicContact CE2-CD1 3.7Å; Y35-F80 HydrophobicContact CE2-CG 4.34Å; Y35-F80 AromaticContact CG-CD1 3.95Å; Y35-F80 HydrophobicContact CG-CD1 3.95Å; Y35-F80 HydrophobicContact CG-CE1 4.25Å; Y35-R81 HydrophobicContact CE1-CB 4.25Å; Y35-R81 PolarHBondContact OH-N 3.1Å; Y35-L84 HydrophobicContact CD1-CD2 3.92Å; Y35-L84 HydrophobicContact CG-CD2 4.43Å
36Y96.6Very high94.3Very high127 Ų12745.2 Ų45.250%0.49826%0.261SS..EExtended strand (participates in β ladder)trans-114.3129.8172.4-65-95.9000108.5V25 E27 V34 R88V25-Y36 HydrophobicContact CG1-CD1 4.39Å; E27-Y36 HydrophobicContact CB-CE1 4.42Å; E27-Y36 HydrophobicContact CG-CD1 3.77Å; E27-Y36 HydrophobicContact CG-CE1 3.46Å; E27-Y36 VanDerWaalsContact CG-CE1 3.46Å; E27-Y36 WeakPolarHBondContact OE1-CE1 3.36Å; V34-Y36 HydrophobicContact CG1-CD2 4.46Å; V34-Y36 HydrophobicContact CG1-CE2 3.79Å; Y36-R88 PolarHBondContact O-NH2 3.33Å
37T96.1Very high94Very high8 Ų851.2 Ų51.25%0.04929%0.294CS..EExtended strand (participates in β ladder)trans-150.2166.4177.9-1680000111.2V25 V26 L28 T41 L42 L84V25-T37 WeakPolarHBondContact CA-O 3.44Å; V26-T37 PolarHBondContact N-O 3.29Å; V26-T37 PolarHBondContact O-N 3.44Å; V26-T37 VanDerWaalsContact O-N 3.12Å; L28-T37 HydrophobicContact CD1-CG2 4.2Å; T37-T41 WeakPolarHBondContact OG1-CB 3.45Å; T37-L42 HydrophobicContact CG2-CD1 3.85Å; T37-L42 HydrophobicContact CG2-CD2 3.87Å; T37-L42 HydrophobicContact CG2-CG 3.75Å; T37-L84 HydrophobicContact CG2-CD1 4.2Å
38R94.9Very high93.8Very high147 Ų14747.3 Ų47.356%0.55528%0.276SS*.EExtended strand (participates in β ladder)trans-79.6148.1174-63.8-178.3-177.4-126.96.7111.2D24 S40 T41 L42D24-R38 CarbonylContact O-C 3.53Å; D24-R38 WeakPolarHBondContact O-CA 3.17Å; D24-R38 IonicContact OD2-NH1 3.99Å; R38-S40 WeakPolarHBondContact CB-OG 3.35Å; R38-S40 PolarHBondContact O-N 3.13Å; R38-T41 WeakPolarHBondContact O-CB 3.28Å; R38-T41 PolarHBondContact O-N 3.49Å; R38-T41 VanDerWaalsContact O-N 3.12Å; R38-L42 PolarHBondContact O-N 2.79Å
39H93.3Very high93.6Very high45 Ų4549 Ų4921%0.20828%0.284CS..Hα-helixtrans-54.9-42.9170.6175.4-104.5000111F22 D24 V26 T41 L42 V43 F54F22-H39 HydrophobicContact CB-CB 4.32Å; F22-H39 WeakPolarHBondContact CB-CD2 3.39Å; F22-H39 AromaticContact CD2-CD2 3.69Å; F22-H39 AromaticContact CD2-NE2 3.3Å; F22-H39 VanDerWaalsContact CD2-NE2 3.3Å; F22-H39 WeakPolarHBondContact CD2-NE2 3.3Å; F22-H39 AromaticContact CG-CD2 3.54Å; F22-H39 AromaticContact CG-NE2 3.68Å; D24-H39 PolarHBondContact O-N 3.39Å; V26-H39 HydrophobicContact CG2-CB 4.08Å; H39-T41 VanDerWaalsContact C-N 3.25Å; H39-T41 PolarHBondContact O-N 2.93Å; H39-L42 PolarHBondContact O-N 3.12Å; H39-V43 WeakPolarHBondContact NE2-CG1 3.22Å; H39-V43 WeakPolarHBondContact O-CG2 3.25Å; H39-V43 PolarHBondContact O-N 2.87Å; H39-V43 VanDerWaalsContact O-N 3.09Å; H39-F54 PolarHBondContact NE2-O 3.31Å
40S94Very high93.3Very high68 Ų6848.4 Ų48.448%0.47628%0.281SS..Hα-helixtrans-56-34.4177.2600000113.9R38 G44R38-S40 WeakPolarHBondContact CB-OG 3.35Å; R38-S40 PolarHBondContact O-N 3.13Å; S40-G44 WeakPolarHBondContact O-CA 3.18Å; S40-G44 PolarHBondContact O-N 2.89Å
41T95.1Very high93Very high20 Ų2048.4 Ų48.412%0.12328%0.281CS..Hα-helixtrans-68-40.5176.2-54.60000111.7T37 R38 H39 L84 L87 R88T37-T41 WeakPolarHBondContact OG1-CB 3.45Å; R38-T41 WeakPolarHBondContact O-CB 3.28Å; R38-T41 PolarHBondContact O-N 3.49Å; R38-T41 VanDerWaalsContact O-N 3.12Å; H39-T41 VanDerWaalsContact C-N 3.25Å; H39-T41 PolarHBondContact O-N 2.93Å; T41-L84 HydrophobicContact CG2-CD1 4.21Å; T41-L87 HydrophobicContact CG2-CB 3.83Å; T41-R88 HydrophobicContact CG2-CG 3.61Å
42L93.8Very high92.7Very high0 Ų051 Ų510%028%0.279CS..Hα-helixtrans-71.3-38-178.8-62.9174.9000111.9V26 L28 T37 R38 H39 L50 G51 F54V26-L42 HydrophobicContact CB-CD1 4.08Å; V26-L42 HydrophobicContact CG1-CD1 3.98Å; V26-L42 HydrophobicContact CG2-CD1 4.33Å; L28-L42 HydrophobicContact CD1-CD1 4.28Å; L28-L42 HydrophobicContact CD1-CD2 3.98Å; L28-L42 HydrophobicContact CD2-CD1 4.4Å; T37-L42 HydrophobicContact CG2-CD1 3.85Å; T37-L42 HydrophobicContact CG2-CD2 3.87Å; T37-L42 HydrophobicContact CG2-CG 3.75Å; R38-L42 PolarHBondContact O-N 2.79Å; H39-L42 PolarHBondContact O-N 3.12Å; L42-L50 HydrophobicContact CD2-CB 4.38Å; L42-L50 HydrophobicContact CD2-CD1 4.04Å; L42-L50 CarbonylContact O-C 3.58Å; L42-G51 VanDerWaalsContact O-CA 3.31Å; L42-G51 WeakPolarHBondContact O-CA 3.46Å; L42-G51 PolarHBondContact O-N 3.27Å; L42-F54 HydrophobicContact CB-CB 4.16Å; L42-F54 HydrophobicContact CB-CD2 4.19Å; L42-F54 HydrophobicContact CB-CG 4.19Å; L42-F54 HydrophobicContact CD1-CD1 3.98Å; L42-F54 HydrophobicContact CD1-CD2 3.9Å; L42-F54 HydrophobicContact CD1-CE1 4.05Å; L42-F54 HydrophobicContact CD1-CE2 3.98Å; L42-F54 HydrophobicContact CD1-CG 3.91Å; L42-F54 HydrophobicContact CD1-CZ 4.06Å
43V92.6Very high92.5Very high36 Ų3650.6 Ų50.622%0.21826%0.263CS..Hα-helixtrans-87-10.4178-58.10000114H39 T45 F54H39-V43 WeakPolarHBondContact NE2-CG1 3.22Å; H39-V43 WeakPolarHBondContact O-CG2 3.25Å; H39-V43 PolarHBondContact O-N 2.87Å; H39-V43 VanDerWaalsContact O-N 3.09Å; V43-T45 PolarHBondContact O-N 2.79Å; V43-F54 HydrophobicContact CG1-CB 3.94Å; V43-F54 WeakPolarHBondContact CG1-O 3.3Å
44G89.7Confident92Very high41 Ų4147 Ų4742%0.42325%0.246SC..SBendtrans-64.6-7.2-178.200000115.1S40 K90S40-G44 WeakPolarHBondContact O-CA 3.18Å; S40-G44 PolarHBondContact O-N 2.89Å; G44-K90 PolarHBondContact O-NZ 3.22Å; G44-K90 VanDerWaalsContact O-NZ 3.08Å
45T89.9Confident91.4Very high26 Ų2648.3 Ų48.316%0.1626%0.258CS..SBendtrans-128.788.3167-52.90000108.3V43 N47 S48 K90 L113V43-T45 PolarHBondContact O-N 2.79Å; T45-N47 PolarHBondContact O-N 2.88Å; T45-N47 VanDerWaalsContact O-N 3.16Å; T45-S48 WeakPolarHBondContact O-CB 3.15Å; T45-S48 PolarHBondContact O-N 2.84Å; T45-S48 PolarHBondContact O-OG 2.72Å; T45-K90 PolarHBondContact OG1-NZ 2.96Å; T45-L113 HydrophobicContact CG2-CD2 4.15Å
46P86.4Confident90.1Very high82 Ų8253.6 Ų53.653%0.53228%0.281SS..THydrogen-bonded Turntrans-64.5-26.6-169.324.5-34.6000113.4S48P46-S48 VanDerWaalsContact C-N 3.27Å; P46-S48 PolarHBondContact O-N 3.24Å
47N86.3Confident88.3Confident126 Ų12653 Ų5367%0.67428%0.281SS*.THydrogen-bonded Turntrans-77.7-12.3178.9-65.3-20.4000113.5T45 K52T45-N47 PolarHBondContact O-N 2.88Å; T45-N47 VanDerWaalsContact O-N 3.16Å; N47-K52 VanDerWaalsContact O-CE 3.31Å; N47-K52 WeakPolarHBondContact O-CE 3.37Å; N47-K52 PolarHBondContact O-NZ 2.75Å
48S92.3Very high86.4Confident1 Ų159.1 Ų59.11%0.00731%0.314CS..SBendtrans-76.1162177.673.40000112.1T45 P46 L50 G51 K52 F111 L113T45-S48 WeakPolarHBondContact O-CB 3.15Å; T45-S48 PolarHBondContact O-N 2.84Å; T45-S48 PolarHBondContact O-OG 2.72Å; P46-S48 VanDerWaalsContact C-N 3.27Å; P46-S48 PolarHBondContact O-N 3.24Å; S48-L50 PolarHBondContact O-N 2.84Å; S48-G51 PolarHBondContact O-N 3.39Å; S48-G51 PolarHBondContact OG-N 3.21Å; S48-K52 WeakPolarHBondContact O-CG 3.49Å; S48-K52 PolarHBondContact O-N 3.09Å; S48-F111 WeakPolarHBondContact CB-O 3.44Å; S48-L113 VanDerWaalsContact CB-CD2 3.5Å
49L90.9Very high84.5Confident34 Ų3453 Ų5318%0.17830%0.295CS..Hα-helixtrans-58.7-48.5175.3-178.966000110.8G51 K52 L53 Y110 F111 Q112L49-G51 VanDerWaalsContact C-N 3.31Å; L49-G51 PolarHBondContact O-N 3.11Å; L49-K52 PolarHBondContact O-N 3.08Å; L49-L53 HydrophobicContact CD1-CD1 4.23Å; L49-L53 HydrophobicContact CD1-CG 4.39Å; L49-L53 HydrophobicContact CG-CD1 3.9Å; L49-L53 HydrophobicContact CG-CG 4.43Å; L49-L53 VanDerWaalsContact O-CG 3.26Å; L49-L53 WeakPolarHBondContact O-CG 3.4Å; L49-L53 PolarHBondContact O-N 3.28Å; L49-Y110 HydrophobicContact CD2-CD1 4.19Å; L49-Y110 HydrophobicContact CD2-CE1 3.65Å; L49-F111 HydrophobicContact CD2-CD1 4.38Å; L49-F111 PolarHBondContact N-O 2.94Å; L49-Q112 HydrophobicContact CB-CG 4.35Å
50L91.7Very high82.8Confident2 Ų251.7 Ų51.71%0.0129%0.29CS..Hα-helixtrans-63.1-39.6178-66.7171.8000111.4L42 S48 K52 L53 F54 I73 F80 L87 F111L42-L50 HydrophobicContact CD2-CB 4.38Å; L42-L50 HydrophobicContact CD2-CD1 4.04Å; L42-L50 CarbonylContact O-C 3.58Å; S48-L50 PolarHBondContact O-N 2.84Å; L50-K52 VanDerWaalsContact C-N 3.34Å; L50-K52 PolarHBondContact O-N 3.38Å; L50-L53 PolarHBondContact O-N 2.95Å; L50-F54 HydrophobicContact CD2-CD2 4.35Å; L50-F54 HydrophobicContact CD2-CE2 3.97Å; L50-F54 WeakPolarHBondContact O-CB 3.3Å; L50-F54 WeakPolarHBondContact O-CD2 3.41Å; L50-F54 PolarHBondContact O-N 2.96Å; L50-I73 HydrophobicContact CD2-CD1 3.84Å; L50-F80 HydrophobicContact CD1-CE2 3.98Å; L50-F80 HydrophobicContact CD1-CZ 4.05Å; L50-L87 HydrophobicContact CD1-CD1 3.71Å; L50-F111 HydrophobicContact CD1-CD1 3.96Å; L50-F111 HydrophobicContact CD1-CE1 4.23Å; L50-F111 HydrophobicContact CD2-CD1 4.34Å; L50-F111 HydrophobicContact CD2-CE1 4.25Å; L50-F111 HydrophobicContact CG-CD1 3.87Å; L50-F111 HydrophobicContact CG-CE1 4.23Å
51G90Very high81Confident0 Ų054.9 Ų54.90%030%0.302CS..Hα-helixtrans-55.6-48.9172.800000111.7L42 S48 L49 S55L42-G51 VanDerWaalsContact O-CA 3.31Å; L42-G51 WeakPolarHBondContact O-CA 3.46Å; L42-G51 PolarHBondContact O-N 3.27Å; S48-G51 PolarHBondContact O-N 3.39Å; S48-G51 PolarHBondContact OG-N 3.21Å; L49-G51 VanDerWaalsContact C-N 3.31Å; L49-G51 PolarHBondContact O-N 3.11Å; G51-S55 WeakPolarHBondContact O-CB 3.47Å; G51-S55 PolarHBondContact O-N 3.42Å; G51-S55 PolarHBondContact O-OG 3.4Å
52K89.1Confident79.7Confident100 Ų10061 Ų6144%0.43533%0.334SS..Hα-helixtrans-64.8-42.6178.9-67.8167-171.1169.10112.8N47 S48 L49 L50N47-K52 VanDerWaalsContact O-CE 3.31Å; N47-K52 WeakPolarHBondContact O-CE 3.37Å; N47-K52 PolarHBondContact O-NZ 2.75Å; S48-K52 WeakPolarHBondContact O-CG 3.49Å; S48-K52 PolarHBondContact O-N 3.09Å; L49-K52 PolarHBondContact O-N 3.08Å; L50-K52 VanDerWaalsContact C-N 3.34Å; L50-K52 PolarHBondContact O-N 3.38Å
53L87.8Confident79Confident50 Ų5062.5 Ų62.526%0.26234%0.342SS..Hα-helixtrans-67.3-39.3-178.2-69.8174.2000112.3L49 L50 L63L49-L53 HydrophobicContact CD1-CD1 4.23Å; L49-L53 HydrophobicContact CD1-CG 4.39Å; L49-L53 HydrophobicContact CG-CD1 3.9Å; L49-L53 HydrophobicContact CG-CG 4.43Å; L49-L53 VanDerWaalsContact O-CG 3.26Å; L49-L53 WeakPolarHBondContact O-CG 3.4Å; L49-L53 PolarHBondContact O-N 3.28Å; L50-L53 PolarHBondContact O-N 2.95Å; L53-L63 HydrophobicContact CB-CD2 4.25Å; L53-L63 HydrophobicContact CD1-CD2 3.98Å; L53-L63 HydrophobicContact CD2-CD2 3.79Å; L53-L63 HydrophobicContact CG-CD2 4.2Å
54F87.8Confident78.8Confident2 Ų263.6 Ų63.61%0.00936%0.355CS..Hα-helixtrans-98.7-1.8-177-69.2-85.9000113.9F22 V26 L28 H39 L42 V43 L50 L63 Y71F22-F54 AromaticContact CD1-CD1 3.71Å; F22-F54 HydrophobicContact CD1-CD1 3.71Å; F22-F54 HydrophobicContact CD1-CE1 4.23Å; F22-F54 VanDerWaalsContact CD2-O 3.3Å; F22-F54 WeakPolarHBondContact CD2-O 3.35Å; F22-F54 AromaticContact CE1-CD1 3.49Å; F22-F54 HydrophobicContact CE1-CD1 3.49Å; F22-F54 VanDerWaalsContact CE1-CD1 3.49Å; F22-F54 AromaticContact CE1-CE1 3.98Å; F22-F54 HydrophobicContact CE1-CE1 3.98Å; F22-F54 HydrophobicContact CE1-CG 4.44Å; F22-F54 WeakPolarHBondContact CE2-O 3.02Å; F22-F54 HydrophobicContact CG-CD1 4.39Å; F22-F54 HydrophobicContact CZ-CB 4.45Å; F22-F54 HydrophobicContact CZ-CD1 4.03Å; V26-F54 HydrophobicContact CG1-CD1 4.47Å; V26-F54 HydrophobicContact CG1-CE1 3.76Å; V26-F54 HydrophobicContact CG1-CZ 4.32Å; L28-F54 HydrophobicContact CD2-CE1 4.38Å; L28-F54 HydrophobicContact CD2-CE2 4.27Å; L28-F54 HydrophobicContact CD2-CZ 3.62Å; H39-F54 PolarHBondContact NE2-O 3.31Å; L42-F54 HydrophobicContact CB-CB 4.16Å; L42-F54 HydrophobicContact CB-CD2 4.19Å; L42-F54 HydrophobicContact CB-CG 4.19Å; L42-F54 HydrophobicContact CD1-CD1 3.98Å; L42-F54 HydrophobicContact CD1-CD2 3.9Å; L42-F54 HydrophobicContact CD1-CE1 4.05Å; L42-F54 HydrophobicContact CD1-CE2 3.98Å; L42-F54 HydrophobicContact CD1-CG 3.91Å; L42-F54 HydrophobicContact CD1-CZ 4.06Å; V43-F54 HydrophobicContact CG1-CB 3.94Å; V43-F54 WeakPolarHBondContact CG1-O 3.3Å; L50-F54 HydrophobicContact CD2-CD2 4.35Å; L50-F54 HydrophobicContact CD2-CE2 3.97Å; L50-F54 WeakPolarHBondContact O-CB 3.3Å; L50-F54 WeakPolarHBondContact O-CD2 3.41Å; L50-F54 PolarHBondContact O-N 2.96Å; F54-L63 HydrophobicContact CE1-CD1 4.19Å; F54-L63 HydrophobicContact CE2-CD1 4.42Å; F54-L63 HydrophobicContact CZ-CD1 4.01Å; F54-Y71 HydrophobicContact CE1-CD1 4.39Å; F54-Y71 AromaticContact CE1-CD2 3.93Å; F54-Y71 HydrophobicContact CE1-CD2 3.93Å; F54-Y71 HydrophobicContact CE1-CE1 4.47Å; F54-Y71 HydrophobicContact CE1-CE2 4.02Å; F54-Y71 HydrophobicContact CE1-CG 4.11Å; F54-Y71 HydrophobicContact CZ-CD1 4.45Å; F54-Y71 HydrophobicContact CZ-CD2 4.24Å; F54-Y71 HydrophobicContact CZ-CG 4.08Å
55S83.3Confident78.9Confident65 Ų6567.8 Ų67.846%0.45536%0.358SS..Hα-helixtrans-90.7-30.3173.4-64.20000113.4G51G51-S55 WeakPolarHBondContact O-CB 3.47Å; G51-S55 PolarHBondContact O-N 3.42Å; G51-S55 PolarHBondContact O-OG 3.4Å
56K70.1Confident79Confident146 Ų14667.3 Ų67.364%0.63535%0.354SS*.  trans-87.2119.6-178-74.5-173.6178.3-175.70110.7D58 A59K56-D58 PolarHBondContact O-N 2.95Å; K56-A59 HydrophobicContact CB-CB 3.83Å; K56-A59 PolarHBondContact O-N 3.45Å
57K60.3Low79.2Confident114 Ų11470.2 Ų70.250%0.49637%0.373SS..THydrogen-bonded Turntrans-55-33.1178.3-166.8162.7177.2177.10113N20 S60N20-K57 HydrophobicContact CB-CD 4.23Å; N20-K57 VanDerWaalsContact CB-CE 3.48Å; N20-K57 HydrophobicContact CB-CG 3.74Å; N20-K57 WeakPolarHBondContact O-CD 3.42Å; N20-K57 WeakPolarHBondContact O-CE 3.32Å; N20-K57 VanDerWaalsContact O-CG 3.31Å; N20-K57 WeakPolarHBondContact O-CG 3.47Å; K57-S60 PolarHBondContact O-OG 3.48Å; K57-S60 VanDerWaalsContact O-OG 3.11Å
58D54.6Low79.4Confident137 Ų13771.9 Ų71.973%0.73337%0.374SS*.THydrogen-bonded Turntrans-86.2-17.8-179.4-53.1-41.5000113.8K56 S60K56-D58 PolarHBondContact O-N 2.95Å; D58-S60 VanDerWaalsContact C-N 3.27Å; D58-S60 PolarHBondContact O-N 3.46Å
59A55Low79.3Confident19 Ų1973.6 Ų73.616%0.15739%0.392CS..G310 helixtrans-77.1-12.7-179.400000113.3K56 N61 D62K56-A59 HydrophobicContact CB-CB 3.83Å; K56-A59 PolarHBondContact O-N 3.45Å; A59-N61 PolarHBondContact O-N 3.02Å; A59-D62 PolarHBondContact O-N 3Å
60S57.7Low79.4Confident17 Ų1773.9 Ų73.912%0.11939%0.391CS..G310 helixtrans-64.2-20179.264.50000114.1K57 D58 R65K57-S60 PolarHBondContact O-OG 3.48Å; K57-S60 VanDerWaalsContact O-OG 3.11Å; D58-S60 VanDerWaalsContact C-N 3.27Å; D58-S60 PolarHBondContact O-N 3.46Å; S60-R65 PolarHBondContact O-NH2 3.21Å
61N57.7Low79.4Confident134 Ų13475 Ų7572%0.71740%0.395SS*.G310 helixtrans-89.8-23.7176.2-84.7-11.9000113.8A59A59-N61 PolarHBondContact O-N 3.02Å
62D66.1Low79.7Confident149 Ų14978.5 Ų78.580%0.79741%0.41SS*.THydrogen-bonded Turntrans-88-9.6-178.8-81.2-12.4000113.2A59 A64A59-D62 PolarHBondContact O-N 3Å; D62-A64 PolarHBondContact O-N 3.12Å
63L79.8Confident80Confident31 Ų3174.6 Ų74.616%0.16239%0.394CS..SBendtrans-76.8124.1178.1-69.7174.1000110.8L53 F54 Y71L53-L63 HydrophobicContact CB-CD2 4.25Å; L53-L63 HydrophobicContact CD1-CD2 3.98Å; L53-L63 HydrophobicContact CD2-CD2 3.79Å; L53-L63 HydrophobicContact CG-CD2 4.2Å; F54-L63 HydrophobicContact CE1-CD1 4.19Å; F54-L63 HydrophobicContact CE2-CD1 4.42Å; F54-L63 HydrophobicContact CZ-CD1 4.01Å; L63-Y71 HydrophobicContact CB-CD1 3.67Å; L63-Y71 HydrophobicContact CB-CE1 4.06Å; L63-Y71 HydrophobicContact CD1-CD1 3.56Å; L63-Y71 HydrophobicContact CD1-CE1 3.7Å; L63-Y71 HydrophobicContact CD1-CG 4.47Å; L63-Y71 HydrophobicContact CG-CD1 4.26Å
64A88.6Confident80.3Confident59 Ų5978.4 Ų78.449%0.48842%0.415SS..  trans-52.4141.7171.300000110.4D62 F72D62-A64 PolarHBondContact O-N 3.12Å; A64-F72 HydrophobicContact CB-CB 4.3Å; A64-F72 HydrophobicContact CB-CD1 4.41Å; A64-F72 PolarHBondContact O-N 2.8Å
65R91.7Very high80.7Confident129 Ų12981.8 Ų81.849%0.48743%0.428SS..BIsolated β-bridgetrans-125147.2176.2-61.9-173.7-175.1-158.46.3110.5S60 R70S60-R65 PolarHBondContact O-NH2 3.21Å; R65-R70 CarbonylContact C-O 3.59Å; R65-R70 WeakPolarHBondContact CA-O 3.36Å
66D91.8Very high81.3Confident17 Ų1780.3 Ų80.39%0.09142%0.415CS..  trans-77.1173171.878.42.7000111.4N29 K68 G69 R70N29-D66 PolarHBondContact ND2-OD2 3.09Å; D66-K68 PolarHBondContact O-N 2.92Å; D66-K68 WeakPolarHBondContact OD1-CA 3.05Å; D66-K68 WeakPolarHBondContact OD1-CB 3.13Å; D66-K68 PolarHBondContact OD1-N 2.8Å; D66-G69 PolarHBondContact O-N 2.91Å; D66-G69 PolarHBondContact OD1-N 2.91Å; D66-G69 VanDerWaalsContact OD1-N 3.1Å; D66-R70 PolarHBondContact N-O 2.8Å; D66-R70 PolarHBondContact OD1-N 3.35Å; D66-R70 IonicContact OD1-NE 3.63Å; D66-R70 IonicContact OD2-CZ 3.16Å; D66-R70 IonicContact OD2-NE 2.75Å; D66-R70 PolarHBondContact OD2-NE 2.83Å; D66-R70 IonicContact OD2-NH2 2.72Å; D66-R70 PolarHBondContact OD2-NH2 2.76Å
67P91Very high82.6Confident142 Ų14273.7 Ų73.792%0.92239%0.387SS*.THydrogen-bonded Turntrans-60.1-14.3179.5-2635.6000114.9
68K91.3Very high84.3Confident162 Ų16275.7 Ų75.770%0.70440%0.397SS*.THydrogen-bonded Turntrans-96.64.7176.5-61.3-172.3178.2-1750112.2D66D66-K68 PolarHBondContact O-N 2.92Å; D66-K68 WeakPolarHBondContact OD1-CA 3.05Å; D66-K68 WeakPolarHBondContact OD1-CB 3.13Å; D66-K68 PolarHBondContact OD1-N 2.8Å
69G89.2Confident86.2Confident37 Ų3769.2 Ų69.238%0.38136%0.362SS..SBendtrans80.111.5177.600000114.8D66D66-G69 PolarHBondContact O-N 2.91Å; D66-G69 PolarHBondContact OD1-N 2.91Å; D66-G69 VanDerWaalsContact OD1-N 3.1Å
70R92.8Very high88.2Confident40 Ų4068.3 Ų68.315%0.15135%0.354CS..PPolyproline II helixtrans-84.2146.8179.2-57.9175.9-66.2-157.78110.5E27 N29 R65 D66 F72E27-R70 HydrophobicContact CB-CB 4.28Å; E27-R70 HydrophobicContact CB-CG 3.91Å; E27-R70 WeakPolarHBondContact OE2-CD 3.46Å; E27-R70 WeakPolarHBondContact OE2-CG 3.31Å; N29-R70 HydrophobicContact CB-CB 4.46Å; R65-R70 CarbonylContact C-O 3.59Å; R65-R70 WeakPolarHBondContact CA-O 3.36Å; D66-R70 PolarHBondContact N-O 2.8Å; D66-R70 PolarHBondContact OD1-N 3.35Å; D66-R70 IonicContact OD1-NE 3.63Å; D66-R70 IonicContact OD2-CZ 3.16Å; D66-R70 IonicContact OD2-NE 2.75Å; D66-R70 PolarHBondContact OD2-NE 2.83Å; D66-R70 IonicContact OD2-NH2 2.72Å; D66-R70 PolarHBondContact OD2-NH2 2.76Å; R70-F72 PolarHBondContact O-N 3Å
71Y93Very high90.1Very high25 Ų2573.3 Ų73.310%0.09837%0.37CS..EExtended strand (participates in β ladder)trans-64123.8178.6-65.7-76.2000110.2V26 E27 L28 N29 F54 L63V26-Y71 HydrophobicContact CG1-CD2 3.68Å; V26-Y71 HydrophobicContact CG1-CE2 3.9Å; E27-Y71 PolarHBondContact O-N 3.07Å; L28-Y71 CarbonylContact C-O 3.56Å; L28-Y71 WeakPolarHBondContact CA-O 3.35Å; L28-Y71 HydrophobicContact CD2-CD2 4.43Å; L28-Y71 HydrophobicContact CD2-CG 4.5Å; N29-Y71 PolarHBondContact N-O 3.19Å; F54-Y71 HydrophobicContact CE1-CD1 4.39Å; F54-Y71 AromaticContact CE1-CD2 3.93Å; F54-Y71 HydrophobicContact CE1-CD2 3.93Å; F54-Y71 HydrophobicContact CE1-CE1 4.47Å; F54-Y71 HydrophobicContact CE1-CE2 4.02Å; F54-Y71 HydrophobicContact CE1-CG 4.11Å; F54-Y71 HydrophobicContact CZ-CD1 4.45Å; F54-Y71 HydrophobicContact CZ-CD2 4.24Å; F54-Y71 HydrophobicContact CZ-CG 4.08Å; L63-Y71 HydrophobicContact CB-CD1 3.67Å; L63-Y71 HydrophobicContact CB-CE1 4.06Å; L63-Y71 HydrophobicContact CD1-CD1 3.56Å; L63-Y71 HydrophobicContact CD1-CE1 3.7Å; L63-Y71 HydrophobicContact CD1-CG 4.47Å; L63-Y71 HydrophobicContact CG-CD1 4.26Å
72F94.9Very high91.9Very high73 Ų7367.9 Ų67.932%0.3234%0.34SS..EExtended strand (participates in β ladder)trans-101133.4-174.8-178.1-106.5000111.5N29 A64 R70 D74N29-F72 HydrophobicContact CB-CD2 4.15Å; N29-F72 CarbonylContact O-C 3.48Å; N29-F72 WeakPolarHBondContact O-CA 3.16Å; N29-F72 WeakPolarHBondContact O-CD2 3.43Å; A64-F72 HydrophobicContact CB-CB 4.3Å; A64-F72 HydrophobicContact CB-CD1 4.41Å; A64-F72 PolarHBondContact O-N 2.8Å; R70-F72 PolarHBondContact O-N 3Å; F72-D74 HydrophobicContact CE1-CB 3.87Å; F72-D74 HydrophobicContact CZ-CB 4.28Å
73I94.9Very high93.3Very high19 Ų1960.8 Ų60.810%0.09730%0.302CS..EExtended strand (participates in β ladder)trans-127.1118.9176.5-59.3175.6000107.5N29 V30 G31 L50 R75 F111N29-I73 PolarHBondContact O-N 2.93Å; V30-I73 CarbonylContact C-O 3.51Å; V30-I73 WeakPolarHBondContact CA-O 3.34Å; V30-I73 HydrophobicContact CB-CB 4.49Å; V30-I73 HydrophobicContact CG1-CB 4.24Å; V30-I73 HydrophobicContact CG1-CG2 4.18Å; V30-I73 HydrophobicContact CG2-CB 4.19Å; V30-I73 HydrophobicContact CG2-CD1 4.18Å; G31-I73 PolarHBondContact N-O 3.1Å; L50-I73 HydrophobicContact CD2-CD1 3.84Å; I73-R75 HydrophobicContact CG2-CB 3.9Å; I73-R75 HydrophobicContact CG2-CG 3.61Å; I73-R75 PolarHBondContact O-N 3.46Å; I73-F111 HydrophobicContact CD1-CE1 4.47Å; I73-F111 HydrophobicContact CG2-CE1 4.17Å; I73-F111 HydrophobicContact CG2-CZ 4.11Å
74D95.6Very high94.1Very high130 Ų13059.4 Ų59.470%0.69530%0.295SS*.  trans-82.365.4-179.5-170.423.5000111.6F72F72-D74 HydrophobicContact CE1-CB 3.87Å; F72-D74 HydrophobicContact CZ-CB 4.28Å
75R96.4Very high94.5Very high73 Ų7358.8 Ų58.828%0.27528%0.284SS..SBendtrans-138.6174.8-178.1-63.3-57.1-62.6178.90.4111.8V30 G31 I73 G77 E107 Y110 F111V30-R75 CarbonylContact C-O 3.59Å; V30-R75 HydrophobicContact CG1-CB 4Å; G31-R75 WeakPolarHBondContact CA-O 3.45Å; G31-R75 PolarHBondContact N-O 3.16Å; I73-R75 HydrophobicContact CG2-CB 3.9Å; I73-R75 HydrophobicContact CG2-CG 3.61Å; I73-R75 PolarHBondContact O-N 3.46Å; R75-G77 PolarHBondContact O-N 3.2Å; R75-G77 VanDerWaalsContact O-N 3.12Å; R75-E107 IonicContact CZ-OE1 2.71Å; R75-E107 IonicContact CZ-OE2 2.98Å; R75-E107 IonicContact NE-OE1 3.5Å; R75-E107 IonicContact NE-OE2 3.84Å; R75-E107 PolarHBondContact NE-OE2 3.31Å; R75-E107 IonicContact NH2-OE1 2.89Å; R75-E107 PolarHBondContact NH2-OE1 3.44Å; R75-E107 IonicContact NH2-OE2 2.64Å; R75-E107 PolarHBondContact NH2-OE2 2.92Å; R75-E107 VanDerWaalsContact NH2-OE2 3.14Å; R75-Y110 HydrophobicContact CG-CD1 3.73Å; R75-Y110 HydrophobicContact CG-CE1 3.37Å; R75-Y110 HydrophobicContact CG-CE2 4.45Å; R75-Y110 HydrophobicContact CG-CG 4.43Å; R75-F111 HydrophobicContact CB-CZ 4.26Å; R75-F111 HydrophobicContact CG-CZ 4.08Å
76D96Very high94.7Very high34 Ų3453.4 Ų53.418%0.18226%0.263CS..  trans-68.2108.3179.3-168-49.9000111.9F78 L79 F80 R103D76-F78 VanDerWaalsContact C-N 3.33Å; D76-F78 PolarHBondContact O-N 3.46Å; D76-F78 PolarHBondContact OD1-N 3.17Å; D76-L79 HydrophobicContact CB-CB 4.19Å; D76-L79 HydrophobicContact CB-CD1 4.17Å; D76-L79 HydrophobicContact CB-CG 4.35Å; D76-L79 PolarHBondContact OD1-N 3.33Å; D76-F80 WeakPolarHBondContact O-CB 3.5Å; D76-F80 PolarHBondContact O-N 3.06Å; D76-F80 VanDerWaalsContact O-N 3.12Å; D76-R103 IonicContact OD2-CZ 3.1Å; D76-R103 IonicContact OD2-NH2 3.71Å; D76-R103 PolarHBondContact OD2-NH2 3.39Å
77G95.8Very high94.8Very high6 Ų652.8 Ų52.86%0.06226%0.26CS..THydrogen-bonded Turntrans-63.3-31.7179.800000114.4V30 Y35 R75V30-G77 WeakPolarHBondContact O-CA 3.38Å; Y35-G77 WeakPolarHBondContact CE2-O 3.4Å; Y35-G77 VanDerWaalsContact CZ-O 3.24Å; Y35-G77 PolarHBondContact OH-O 3.41Å; R75-G77 PolarHBondContact O-N 3.2Å; R75-G77 VanDerWaalsContact O-N 3.12Å
78F95.6Very high95Very high157 Ų15751.6 Ų51.669%0.68924%0.237SC*.THydrogen-bonded Turntrans-76.3-41.2-178.1-68.8-75.3000111.6D76 F80D76-F78 VanDerWaalsContact C-N 3.33Å; D76-F78 PolarHBondContact O-N 3.46Å; D76-F78 PolarHBondContact OD1-N 3.17Å; F78-F80 VanDerWaalsContact C-N 3.28Å; F78-F80 PolarHBondContact O-N 2.86Å
79L95.8Very high95Very high0 Ų049.3 Ų49.30%023%0.233CC..THydrogen-bonded Turntrans-70.9-27.3177.3-66.4178000112.5D76 R81 Y82 F98 E100 R103 L104 E107D76-L79 HydrophobicContact CB-CB 4.19Å; D76-L79 HydrophobicContact CB-CD1 4.17Å; D76-L79 HydrophobicContact CB-CG 4.35Å; D76-L79 PolarHBondContact OD1-N 3.33Å; L79-R81 PolarHBondContact O-N 3.36Å; L79-R81 VanDerWaalsContact O-N 3.13Å; L79-Y82 HydrophobicContact CD2-CD2 4.49Å; L79-Y82 PolarHBondContact O-N 3.45Å; L79-Y82 VanDerWaalsContact O-N 3.12Å; L79-F98 HydrophobicContact CD2-CE1 4.48Å; L79-F98 HydrophobicContact CD2-CZ 3.74Å; L79-E100 HydrophobicContact CD2-CB 3.96Å; L79-E100 WeakPolarHBondContact CD2-OE2 3.26Å; L79-R103 HydrophobicContact CD1-CB 3.5Å; L79-R103 VanDerWaalsContact CD1-CB 3.5Å; L79-L104 HydrophobicContact CB-CD1 4.36Å; L79-L104 HydrophobicContact CD2-CB 4.29Å; L79-E107 HydrophobicContact CB-CG 3.95Å; L79-E107 HydrophobicContact CD1-CG 4Å
80F97.4Very high95.1Very high1 Ų151.9 Ų51.90%0.00423%0.233CC..Hα-helixtrans-57.5-27.1178-170.7-103.2000113.6L28 V30 Y35 L50 D76 F78 Y82 V83 L84 F111L28-F80 HydrophobicContact CD1-CE1 4.05Å; L28-F80 HydrophobicContact CD1-CZ 3.92Å; V30-F80 HydrophobicContact CB-CB 4.38Å; V30-F80 HydrophobicContact CB-CD1 4.44Å; V30-F80 HydrophobicContact CB-CG 4.27Å; V30-F80 HydrophobicContact CG1-CB 3.94Å; V30-F80 HydrophobicContact CG1-CD2 4.14Å; V30-F80 HydrophobicContact CG1-CG 3.99Å; V30-F80 HydrophobicContact CG2-CD1 3.75Å; V30-F80 HydrophobicContact CG2-CD2 4.22Å; V30-F80 HydrophobicContact CG2-CE1 3.92Å; V30-F80 HydrophobicContact CG2-CE2 4.38Å; V30-F80 HydrophobicContact CG2-CG 3.9Å; V30-F80 HydrophobicContact CG2-CZ 4.23Å; Y35-F80 HydrophobicContact CD1-CD1 4.39Å; Y35-F80 AromaticContact CD2-CD1 3.58Å; Y35-F80 HydrophobicContact CD2-CD1 3.58Å; Y35-F80 HydrophobicContact CD2-CE1 4.19Å; Y35-F80 HydrophobicContact CE2-CB 4.09Å; Y35-F80 AromaticContact CE2-CD1 3.7Å; Y35-F80 HydrophobicContact CE2-CD1 3.7Å; Y35-F80 HydrophobicContact CE2-CG 4.34Å; Y35-F80 AromaticContact CG-CD1 3.95Å; Y35-F80 HydrophobicContact CG-CD1 3.95Å; Y35-F80 HydrophobicContact CG-CE1 4.25Å; L50-F80 HydrophobicContact CD1-CE2 3.98Å; L50-F80 HydrophobicContact CD1-CZ 4.05Å; D76-F80 WeakPolarHBondContact O-CB 3.5Å; D76-F80 PolarHBondContact O-N 3.06Å; D76-F80 VanDerWaalsContact O-N 3.12Å; F78-F80 VanDerWaalsContact C-N 3.28Å; F78-F80 PolarHBondContact O-N 2.86Å; F80-Y82 VanDerWaalsContact C-N 3.29Å; F80-Y82 PolarHBondContact O-N 2.89Å; F80-V83 HydrophobicContact CD2-CB 4.25Å; F80-V83 HydrophobicContact CD2-CG1 4.38Å; F80-V83 HydrophobicContact CE2-CG1 4.25Å; F80-V83 WeakPolarHBondContact O-CB 3.36Å; F80-V83 PolarHBondContact O-N 3.48Å; F80-V83 VanDerWaalsContact O-N 3.14Å; F80-L84 HydrophobicContact CD1-CB 4.47Å; F80-L84 HydrophobicContact CE1-CB 4.24Å; F80-L84 HydrophobicContact CE1-CD1 4.45Å; F80-L84 HydrophobicContact CE1-CD2 4.38Å; F80-L84 WeakPolarHBondContact O-CB 3.45Å; F80-L84 PolarHBondContact O-N 3.22Å; F80-F111 HydrophobicContact CD2-CE1 4.31Å; F80-F111 AromaticContact CD2-CE2 3.69Å; F80-F111 HydrophobicContact CD2-CE2 3.69Å; F80-F111 AromaticContact CD2-CZ 3.52Å; F80-F111 HydrophobicContact CD2-CZ 3.52Å; F80-F111 AromaticContact CE2-CE1 3.87Å; F80-F111 HydrophobicContact CE2-CE1 3.87Å; F80-F111 HydrophobicContact CE2-CE2 4Å; F80-F111 AromaticContact CE2-CZ 3.55Å; F80-F111 HydrophobicContact CE2-CZ 3.55Å
81R95.9Very high94.7Very high121 Ų12156.9 Ų56.946%0.45726%0.258SS..Hα-helixtrans-52.3-48.2174.2-177.217568.71622.5111.9Y35 L79 V83 L84 D85Y35-R81 HydrophobicContact CE1-CB 4.25Å; Y35-R81 PolarHBondContact OH-N 3.1Å; L79-R81 PolarHBondContact O-N 3.36Å; L79-R81 VanDerWaalsContact O-N 3.13Å; R81-V83 VanDerWaalsContact C-N 3.34Å; R81-V83 PolarHBondContact O-N 3.26Å; R81-L84 WeakPolarHBondContact O-CB 3.41Å; R81-L84 PolarHBondContact O-N 2.89Å; R81-D85 PolarHBondContact O-N 3.19Å
82Y96.3Very high94.5Very high21 Ų2157.1 Ų57.18%0.08226%0.262CS..Hα-helixtrans-70.5-31.4-178.5-57.1-70.8000112.7L79 F80 L84 Y86 V92 L94 F98 L104L79-Y82 HydrophobicContact CD2-CD2 4.49Å; L79-Y82 PolarHBondContact O-N 3.45Å; L79-Y82 VanDerWaalsContact O-N 3.12Å; F80-Y82 VanDerWaalsContact C-N 3.29Å; F80-Y82 PolarHBondContact O-N 2.89Å; Y82-L84 VanDerWaalsContact C-N 3.33Å; Y82-Y86 WeakPolarHBondContact O-CB 3.48Å; Y82-Y86 PolarHBondContact O-N 3.38Å; Y82-V92 HydrophobicContact CD1-CG2 4.26Å; Y82-L94 HydrophobicContact CD1-CD2 3.64Å; Y82-L94 HydrophobicContact CE1-CD2 3.97Å; Y82-L94 HydrophobicContact CG-CD2 4.02Å; Y82-F98 HydrophobicContact CD2-CE2 4.42Å; Y82-F98 AromaticContact CD2-CZ 3.95Å; Y82-F98 HydrophobicContact CD2-CZ 3.95Å; Y82-F98 AromaticContact CE2-CE2 3.53Å; Y82-F98 HydrophobicContact CE2-CE2 3.53Å; Y82-F98 AromaticContact CE2-CZ 3.48Å; Y82-F98 HydrophobicContact CE2-CZ 3.48Å; Y82-F98 VanDerWaalsContact CE2-CZ 3.48Å; Y82-F98 AromaticContact CZ-CE2 3.68Å; Y82-L104 HydrophobicContact CD2-CD1 4.3Å; Y82-L104 HydrophobicContact CD2-CD2 4.17Å; Y82-L104 HydrophobicContact CG-CD1 4.45Å; Y82-L104 HydrophobicContact CG-CD2 4.04Å
83V96.7Very high94.1Very high0 Ų060 Ų600%029%0.285CS..Hα-helixtrans-63.9-43.8171.4175.40000109.8F80 R81 Y86 L87 L104 E107 F111 L113F80-V83 HydrophobicContact CD2-CB 4.25Å; F80-V83 HydrophobicContact CD2-CG1 4.38Å; F80-V83 HydrophobicContact CE2-CG1 4.25Å; F80-V83 WeakPolarHBondContact O-CB 3.36Å; F80-V83 PolarHBondContact O-N 3.48Å; F80-V83 VanDerWaalsContact O-N 3.14Å; R81-V83 VanDerWaalsContact C-N 3.34Å; R81-V83 PolarHBondContact O-N 3.26Å; V83-Y86 PolarHBondContact O-N 3.13Å; V83-L87 HydrophobicContact CG1-CD1 4.43Å; V83-L87 WeakPolarHBondContact O-CG 3.47Å; V83-L87 PolarHBondContact O-N 2.88Å; V83-L104 HydrophobicContact CG2-CD1 4.15Å; V83-E107 HydrophobicContact CG2-CB 4.23Å; V83-F111 HydrophobicContact CB-CD2 4.46Å; V83-F111 HydrophobicContact CG1-CB 4.41Å; V83-F111 HydrophobicContact CG1-CD2 3.82Å; V83-F111 HydrophobicContact CG1-CE2 4.38Å; V83-F111 HydrophobicContact CG1-CG 4.15Å; V83-F111 HydrophobicContact CG2-CD2 4.02Å; V83-F111 HydrophobicContact CG2-CE2 4.34Å; V83-L113 HydrophobicContact CG1-CD1 3.69Å
84L96.5Very high93.7Very high2 Ų261 Ų611%0.0129%0.291CS..Hα-helixtrans-68.1-40.6179.9-169.460.4000112.1Y35 T37 T41 F80 R81 Y82 Y86 L87 R88Y35-L84 HydrophobicContact CD1-CD2 3.92Å; Y35-L84 HydrophobicContact CG-CD2 4.43Å; T37-L84 HydrophobicContact CG2-CD1 4.2Å; T41-L84 HydrophobicContact CG2-CD1 4.21Å; F80-L84 HydrophobicContact CD1-CB 4.47Å; F80-L84 HydrophobicContact CE1-CB 4.24Å; F80-L84 HydrophobicContact CE1-CD1 4.45Å; F80-L84 HydrophobicContact CE1-CD2 4.38Å; F80-L84 WeakPolarHBondContact O-CB 3.45Å; F80-L84 PolarHBondContact O-N 3.22Å; R81-L84 WeakPolarHBondContact O-CB 3.41Å; R81-L84 PolarHBondContact O-N 2.89Å; Y82-L84 VanDerWaalsContact C-N 3.33Å; L84-Y86 VanDerWaalsContact C-N 3.33Å; L84-Y86 PolarHBondContact O-N 3.31Å; L84-L87 PolarHBondContact O-N 3.42Å; L84-L87 VanDerWaalsContact O-N 3.16Å; L84-R88 WeakPolarHBondContact O-CG 3.37Å; L84-R88 PolarHBondContact O-N 3.11Å; L84-R88 VanDerWaalsContact O-N 3.13Å
85D95.6Very high93.1Very high46 Ų4658.1 Ų58.125%0.24628%0.279CS..Hα-helixtrans-60.3-44173.8-65.4-20.4000110.7R81 L87 R88 D89R81-D85 PolarHBondContact O-N 3.19Å; D85-L87 VanDerWaalsContact C-N 3.33Å; D85-L87 PolarHBondContact O-N 3.37Å; D85-R88 PolarHBondContact O-N 2.95Å; D85-R88 VanDerWaalsContact O-N 3.15Å; D85-R88 IonicContact OD1-NH1 3.65Å; D85-D89 PolarHBondContact O-N 3.15Å
86Y96.1Very high92Very high15 Ų1560.1 Ų60.16%0.05930%0.296CS..Hα-helixtrans-60-39.8173.2176.4-96.4000113Y82 V83 L84 R88 K90 Q91 L113 D115 L116 L119Y82-Y86 WeakPolarHBondContact O-CB 3.48Å; Y82-Y86 PolarHBondContact O-N 3.38Å; V83-Y86 PolarHBondContact O-N 3.13Å; L84-Y86 VanDerWaalsContact C-N 3.33Å; L84-Y86 PolarHBondContact O-N 3.31Å; Y86-R88 VanDerWaalsContact C-N 3.26Å; Y86-R88 PolarHBondContact O-N 3.08Å; Y86-K90 WeakPolarHBondContact CE2-O 3.47Å; Y86-K90 WeakPolarHBondContact O-CA 3.33Å; Y86-K90 PolarHBondContact O-N 2.83Å; Y86-Q91 WeakPolarHBondContact CA-O 3.18Å; Y86-L113 HydrophobicContact CD1-CD1 4.06Å; Y86-L113 HydrophobicContact CD1-CD2 4.38Å; Y86-L113 HydrophobicContact CE1-CB 4.39Å; Y86-L113 HydrophobicContact CE1-CD1 4.46Å; Y86-L113 HydrophobicContact CE1-CD2 4.08Å; Y86-D115 WeakPolarHBondContact OH-CB 3.42Å; Y86-L116 HydrophobicContact CD1-CB 4.01Å; Y86-L116 HydrophobicContact CD1-CD2 4.05Å; Y86-L116 HydrophobicContact CD1-CG 4.48Å; Y86-L116 HydrophobicContact CD2-CB 4.08Å; Y86-L116 HydrophobicContact CD2-CD1 3.83Å; Y86-L116 HydrophobicContact CD2-CG 4.36Å; Y86-L116 HydrophobicContact CE1-CB 3.98Å; Y86-L116 HydrophobicContact CE2-CB 4.04Å; Y86-L116 HydrophobicContact CE2-CD1 4.44Å; Y86-L116 HydrophobicContact CG-CB 4.07Å; Y86-L116 HydrophobicContact CG-CD1 3.98Å; Y86-L116 HydrophobicContact CG-CD2 3.92Å; Y86-L116 HydrophobicContact CG-CG 4.2Å; Y86-L119 HydrophobicContact CE2-CD1 4.15Å
87L94.6Very high90.9Very high5 Ų563.3 Ų63.33%0.02631%0.309CS..Hα-helixtrans-65.7-30.8178.4-71.5172.8000112.8T41 L50 V83 L84 D85 K90 L113T41-L87 HydrophobicContact CG2-CB 3.83Å; L50-L87 HydrophobicContact CD1-CD1 3.71Å; V83-L87 HydrophobicContact CG1-CD1 4.43Å; V83-L87 WeakPolarHBondContact O-CG 3.47Å; V83-L87 PolarHBondContact O-N 2.88Å; L84-L87 PolarHBondContact O-N 3.42Å; L84-L87 VanDerWaalsContact O-N 3.16Å; D85-L87 VanDerWaalsContact C-N 3.33Å; D85-L87 PolarHBondContact O-N 3.37Å; L87-K90 PolarHBondContact O-NZ 3.08Å; L87-L113 HydrophobicContact CD2-CD1 4.5Å; L87-L113 HydrophobicContact CD2-CD2 3.92Å
88R94.9Very high90.5Very high116 Ų11664.4 Ų64.444%0.43831%0.312SS..Hα-helixtrans-76.3-54.9177.7-68.2168.7178.1166.3-4111.9Y36 T41 L84 D85 Y86Y36-R88 PolarHBondContact O-NH2 3.33Å; T41-R88 HydrophobicContact CG2-CG 3.61Å; L84-R88 WeakPolarHBondContact O-CG 3.37Å; L84-R88 PolarHBondContact O-N 3.11Å; L84-R88 VanDerWaalsContact O-N 3.13Å; D85-R88 PolarHBondContact O-N 2.95Å; D85-R88 VanDerWaalsContact O-N 3.15Å; D85-R88 IonicContact OD1-NH1 3.65Å; Y86-R88 VanDerWaalsContact C-N 3.26Å; Y86-R88 PolarHBondContact O-N 3.08Å
89D92.1Very high89.6Confident114 Ų11462.6 Ų62.661%0.6132%0.316SS*.Hα-helixtrans-104.2-7.1-165.8-58-33.4000113.3D85 Q91D85-D89 PolarHBondContact O-N 3.15Å; D89-Q91 PolarHBondContact O-N 3.4Å; D89-Q91 VanDerWaalsContact O-N 3.09Å
90K89.6Confident89.3Confident92 Ų9265.5 Ų65.540%0.433%0.33SS..SBendtrans56.317.2-169.5-50.7-53.2-172.9-165.70113.5G44 T45 Y86 L87G44-K90 PolarHBondContact O-NZ 3.22Å; G44-K90 VanDerWaalsContact O-NZ 3.08Å; T45-K90 PolarHBondContact OG1-NZ 2.96Å; Y86-K90 WeakPolarHBondContact CE2-O 3.47Å; Y86-K90 WeakPolarHBondContact O-CA 3.33Å; Y86-K90 PolarHBondContact O-N 2.83Å; L87-K90 PolarHBondContact O-NZ 3.08Å
91Q85.7Confident88.9Confident144 Ų14469.2 Ų69.267%0.67335%0.346SS*.  trans-138.7157.6175.9-67.3-168.964.500109Y86 D89Y86-Q91 WeakPolarHBondContact CA-O 3.18Å; D89-Q91 PolarHBondContact O-N 3.4Å; D89-Q91 VanDerWaalsContact O-N 3.09Å
92V88.1Confident88.7Confident30 Ų3065.6 Ų65.618%0.18235%0.346CS..  trans-130.8123.4176.666.50000109.3Y82 L94 L116Y82-V92 HydrophobicContact CD1-CG2 4.26Å; V92-L94 HydrophobicContact CG2-CD2 3.69Å; V92-L94 HydrophobicContact CG2-CG 4.21Å; V92-L116 HydrophobicContact CB-CD1 4.17Å; V92-L116 HydrophobicContact CG1-CD1 3.66Å
93V86.6Confident88.6Confident133 Ų13370.6 Ų70.681%0.80637%0.365SS*.  trans-97.6113.1172.6-1780000107.6
94L87.4Confident88.6Confident41 Ų4170.6 Ų70.622%0.21537%0.365CS..PPolyproline II helixtrans-99.3141.7177.5-60.1178.5000109.7Y82 V92 F98 K101 L104 L120Y82-L94 HydrophobicContact CD1-CD2 3.64Å; Y82-L94 HydrophobicContact CE1-CD2 3.97Å; Y82-L94 HydrophobicContact CG-CD2 4.02Å; V92-L94 HydrophobicContact CG2-CD2 3.69Å; V92-L94 HydrophobicContact CG2-CG 4.21Å; L94-F98 HydrophobicContact CB-CB 4.19Å; L94-F98 HydrophobicContact CB-CG 4.43Å; L94-F98 HydrophobicContact CD1-CD1 4.03Å; L94-F98 HydrophobicContact CD2-CD1 4.13Å; L94-F98 HydrophobicContact CD2-CE1 4.26Å; L94-F98 HydrophobicContact CD2-CG 4.49Å; L94-K101 HydrophobicContact CD1-CG 4.41Å; L94-L104 HydrophobicContact CD1-CD2 4.37Å; L94-L104 HydrophobicContact CD2-CD2 3.61Å; L94-L120 HydrophobicContact CD1-CD2 3.72Å
95P82Confident88.5Confident69 Ų6974.7 Ų74.745%0.44838%0.381SS..PPolyproline II helixtrans-53.7150.4168.7-24.533.8000111.8H97 F98P95-H97 PolarHBondContact O-N 3.46Å; P95-F98 WeakPolarHBondContact O-CB 3.49Å; P95-F98 PolarHBondContact O-N 2.89Å
96D73.4Confident88.5Confident116 Ų11678.6 Ų78.662%0.6240%0.395SS*.THydrogen-bonded Turntrans-57.2135.4170.9-69.6-40.3000110F98 R280D96-F98 PolarHBondContact O-N 3.17Å; D96-R280 IonicContact OD1-NH1 2.63Å
97H73.2Confident88.6Confident100 Ų10078.6 Ų78.646%0.46340%0.396SS..THydrogen-bonded Turntrans57.139.7-174.7-52.6-50.9000115.4P95 P99 P278P95-H97 PolarHBondContact O-N 3.46Å; H97-P99 WeakPolarHBondContact O-CD 3.31Å; H97-P278 WeakPolarHBondContact CE1-CD 3.33Å
98F86.5Confident88.6Confident29 Ų2978.4 Ų78.413%0.12740%0.395CS..  trans-55.4101.7173.5-173-117.8000112.2L79 Y82 L94 P95 D96 E100 K101 L104L79-F98 HydrophobicContact CD2-CE1 4.48Å; L79-F98 HydrophobicContact CD2-CZ 3.74Å; Y82-F98 HydrophobicContact CD2-CE2 4.42Å; Y82-F98 AromaticContact CD2-CZ 3.95Å; Y82-F98 HydrophobicContact CD2-CZ 3.95Å; Y82-F98 AromaticContact CE2-CE2 3.53Å; Y82-F98 HydrophobicContact CE2-CE2 3.53Å; Y82-F98 AromaticContact CE2-CZ 3.48Å; Y82-F98 HydrophobicContact CE2-CZ 3.48Å; Y82-F98 VanDerWaalsContact CE2-CZ 3.48Å; Y82-F98 AromaticContact CZ-CE2 3.68Å; L94-F98 HydrophobicContact CB-CB 4.19Å; L94-F98 HydrophobicContact CB-CG 4.43Å; L94-F98 HydrophobicContact CD1-CD1 4.03Å; L94-F98 HydrophobicContact CD2-CD1 4.13Å; L94-F98 HydrophobicContact CD2-CE1 4.26Å; L94-F98 HydrophobicContact CD2-CG 4.49Å; P95-F98 WeakPolarHBondContact O-CB 3.49Å; P95-F98 PolarHBondContact O-N 2.89Å; D96-F98 PolarHBondContact O-N 3.17Å; F98-E100 VanDerWaalsContact CE1-C 3.43Å; F98-E100 HydrophobicContact CE1-CB 4.04Å; F98-E100 HydrophobicContact CE2-CB 4.23Å; F98-E100 HydrophobicContact CZ-CB 3.78Å; F98-E100 PolarHBondContact O-N 3.13Å; F98-K101 HydrophobicContact CD1-CB 3.91Å; F98-K101 VanDerWaalsContact CD1-N 3.32Å; F98-K101 PolarHBondContact O-N 3.16Å; F98-L104 HydrophobicContact CE1-CB 3.82Å; F98-L104 HydrophobicContact CE1-CD2 3.71Å; F98-L104 HydrophobicContact CE1-CG 4.41Å; F98-L104 HydrophobicContact CZ-CB 4.45Å; F98-L104 HydrophobicContact CZ-CD2 4.32Å
99P77.5Confident88.7Confident120 Ų12077.2 Ų77.278%0.77939%0.394SS*.THydrogen-bonded Turntrans-73.7-20.8-168.929.9-32000111.5H97 K101H97-P99 WeakPolarHBondContact O-CD 3.31Å; P99-K101 VanDerWaalsContact C-N 3.33Å; P99-K101 PolarHBondContact O-N 3.02Å
100E88.8Confident88.9Confident60 Ų6076.3 Ų76.328%0.2838%0.383SS..THydrogen-bonded Turntrans-92.714.4-178-52-161.7132.400112.9L79 F98 G102 R103 L104L79-E100 HydrophobicContact CD2-CB 3.96Å; L79-E100 WeakPolarHBondContact CD2-OE2 3.26Å; F98-E100 VanDerWaalsContact CE1-C 3.43Å; F98-E100 HydrophobicContact CE1-CB 4.04Å; F98-E100 HydrophobicContact CE2-CB 4.23Å; F98-E100 HydrophobicContact CZ-CB 3.78Å; F98-E100 PolarHBondContact O-N 3.13Å; E100-G102 PolarHBondContact O-N 3.46Å; E100-G102 VanDerWaalsContact O-N 3.17Å; E100-R103 HydrophobicContact CB-CB 4.35Å; E100-R103 WeakPolarHBondContact O-CA 3.13Å; E100-R103 WeakPolarHBondContact O-CB 3.33Å; E100-R103 PolarHBondContact O-N 3.32Å; E100-R103 IonicContact OE1-CZ 3.24Å; E100-R103 IonicContact OE1-NH1 3.88Å; E100-R103 PolarHBondContact OE1-NH1 2.87Å; E100-L104 PolarHBondContact O-N 3.14Å
101K90.2Very high89.2Confident80 Ų8072 Ų7235%0.34836%0.364SS..Hα-helixtrans-52.5-41.9-179.5-164.9-176.1-174.7-165.10112.4L94 F98 P99 L104 R105 L120L94-K101 HydrophobicContact CD1-CG 4.41Å; F98-K101 HydrophobicContact CD1-CB 3.91Å; F98-K101 VanDerWaalsContact CD1-N 3.32Å; F98-K101 PolarHBondContact O-N 3.16Å; P99-K101 VanDerWaalsContact C-N 3.33Å; P99-K101 PolarHBondContact O-N 3.02Å; K101-L104 PolarHBondContact O-N 2.67Å; K101-R105 PolarHBondContact O-N 3.03Å; K101-L120 WeakPolarHBondContact CE-O 3.43Å; K101-L120 HydrophobicContact CG-CD2 4.04Å; K101-L120 PolarHBondContact NZ-O 3.16Å
102G90.8Very high89.7Confident45 Ų4569 Ų6946%0.46435%0.35SS..Hα-helixtrans-66.7-33.8176.400000113.8E100 K106E100-G102 PolarHBondContact O-N 3.46Å; E100-G102 VanDerWaalsContact O-N 3.17Å; G102-K106 PolarHBondContact O-N 3Å
103R94.7Very high90Very high125 Ų12567.8 Ų67.847%0.47234%0.342SS..Hα-helixtrans-72.1-44.1174.1-64.6177.462.8179.26.4110.7D76 L79 E100 R105 K106 E107D76-R103 IonicContact OD2-CZ 3.1Å; D76-R103 IonicContact OD2-NH2 3.71Å; D76-R103 PolarHBondContact OD2-NH2 3.39Å; L79-R103 HydrophobicContact CD1-CB 3.5Å; L79-R103 VanDerWaalsContact CD1-CB 3.5Å; E100-R103 HydrophobicContact CB-CB 4.35Å; E100-R103 WeakPolarHBondContact O-CA 3.13Å; E100-R103 WeakPolarHBondContact O-CB 3.33Å; E100-R103 PolarHBondContact O-N 3.32Å; E100-R103 IonicContact OE1-CZ 3.24Å; E100-R103 IonicContact OE1-NH1 3.88Å; E100-R103 PolarHBondContact OE1-NH1 2.87Å; R103-R105 PolarHBondContact O-N 2.9Å; R103-K106 WeakPolarHBondContact O-CB 3.42Å; R103-K106 PolarHBondContact O-N 3.4Å; R103-E107 PolarHBondContact O-N 2.54Å; R103-E107 VanDerWaalsContact O-N 3.08Å
104L96.1Very high90.3Very high0 Ų065 Ų650%033%0.328CS..Hα-helixtrans-59.3-37.3175.8-179.959.7000111.8L79 Y82 V83 L94 F98 E100 K101 K106 E107 A108 L120L79-L104 HydrophobicContact CB-CD1 4.36Å; L79-L104 HydrophobicContact CD2-CB 4.29Å; Y82-L104 HydrophobicContact CD2-CD1 4.3Å; Y82-L104 HydrophobicContact CD2-CD2 4.17Å; Y82-L104 HydrophobicContact CG-CD1 4.45Å; Y82-L104 HydrophobicContact CG-CD2 4.04Å; V83-L104 HydrophobicContact CG2-CD1 4.15Å; L94-L104 HydrophobicContact CD1-CD2 4.37Å; L94-L104 HydrophobicContact CD2-CD2 3.61Å; F98-L104 HydrophobicContact CE1-CB 3.82Å; F98-L104 HydrophobicContact CE1-CD2 3.71Å; F98-L104 HydrophobicContact CE1-CG 4.41Å; F98-L104 HydrophobicContact CZ-CB 4.45Å; F98-L104 HydrophobicContact CZ-CD2 4.32Å; E100-L104 PolarHBondContact O-N 3.14Å; K101-L104 PolarHBondContact O-N 2.67Å; L104-K106 VanDerWaalsContact C-N 3.33Å; L104-K106 PolarHBondContact O-N 3.41Å; L104-E107 WeakPolarHBondContact O-CB 3.46Å; L104-E107 PolarHBondContact O-N 3.19Å; L104-A108 PolarHBondContact O-N 3.5Å; L104-L120 HydrophobicContact CB-CD1 4.48Å; L104-L120 HydrophobicContact CD2-CD1 4.21Å; L104-L120 HydrophobicContact CD2-CD2 4.07Å; L104-L120 HydrophobicContact CG-CD1 3.85Å
105R95Very high90.5Very high89 Ų8966.9 Ų66.934%0.33634%0.338SS..Hα-helixtrans-59.4-43.3173.3-164.8-170.574.8-173.5-6.6111.9K101 R103 E107 A108 E109 V117 L120K101-R105 PolarHBondContact O-N 3.03Å; R103-R105 PolarHBondContact O-N 2.9Å; R105-E107 VanDerWaalsContact C-N 3.31Å; R105-E107 PolarHBondContact O-N 2.58Å; R105-A108 WeakPolarHBondContact O-CB 3.3Å; R105-A108 PolarHBondContact O-N 3.12Å; R105-E109 IonicContact CZ-OE1 2.85Å; R105-E109 IonicContact NE-OE1 2.75Å; R105-E109 PolarHBondContact NE-OE1 3.1Å; R105-E109 IonicContact NH2-OE1 3.21Å; R105-E109 WeakPolarHBondContact O-CG 3.48Å; R105-E109 PolarHBondContact O-N 3.21Å; R105-V117 HydrophobicContact CG-CG1 4.12Å; R105-L120 HydrophobicContact CB-CB 4.21Å; R105-L120 HydrophobicContact CB-CD1 4.31Å; R105-L120 HydrophobicContact CG-CB 4.12Å
106K96.1Very high91Very high128 Ų12863.7 Ų63.756%0.55732%0.317SS*.Hα-helixtrans-63.5-35.5175.5-66.9-179.2178.7-177.10112.4G102 R103 L104 E109 Y110G102-K106 PolarHBondContact O-N 3Å; R103-K106 WeakPolarHBondContact O-CB 3.42Å; R103-K106 PolarHBondContact O-N 3.4Å; L104-K106 VanDerWaalsContact C-N 3.33Å; L104-K106 PolarHBondContact O-N 3.41Å; K106-E109 PolarHBondContact O-N 2.86Å; K106-Y110 WeakPolarHBondContact O-CB 3.38Å; K106-Y110 PolarHBondContact O-N 2.98Å
107E96.9Very high92Very high15 Ų1559.4 Ų59.47%0.0730%0.295CS..Hα-helixtrans-65.7-44171.8-61.4-50.1132.400111.3R75 L79 V83 R103 L104 R105 E109 Y110 F111R75-E107 IonicContact CZ-OE1 2.71Å; R75-E107 IonicContact CZ-OE2 2.98Å; R75-E107 IonicContact NE-OE1 3.5Å; R75-E107 IonicContact NE-OE2 3.84Å; R75-E107 PolarHBondContact NE-OE2 3.31Å; R75-E107 IonicContact NH2-OE1 2.89Å; R75-E107 PolarHBondContact NH2-OE1 3.44Å; R75-E107 IonicContact NH2-OE2 2.64Å; R75-E107 PolarHBondContact NH2-OE2 2.92Å; R75-E107 VanDerWaalsContact NH2-OE2 3.14Å; L79-E107 HydrophobicContact CB-CG 3.95Å; L79-E107 HydrophobicContact CD1-CG 4Å; V83-E107 HydrophobicContact CG2-CB 4.23Å; R103-E107 PolarHBondContact O-N 2.54Å; R103-E107 VanDerWaalsContact O-N 3.08Å; L104-E107 WeakPolarHBondContact O-CB 3.46Å; L104-E107 PolarHBondContact O-N 3.19Å; R105-E107 VanDerWaalsContact C-N 3.31Å; R105-E107 PolarHBondContact O-N 2.58Å; E107-E109 VanDerWaalsContact C-N 3.3Å; E107-E109 PolarHBondContact O-N 3.25Å; E107-Y110 WeakPolarHBondContact O-CB 3.13Å; E107-Y110 PolarHBondContact O-N 2.95Å; E107-Y110 VanDerWaalsContact O-N 3.15Å; E107-F111 HydrophobicContact CB-CD2 4.41Å; E107-F111 HydrophobicContact CB-CE2 4.41Å; E107-F111 WeakPolarHBondContact O-CD2 3.32Å; E107-F111 PolarHBondContact O-N 3.28Å
108A96.1Very high92.9Very high0 Ų060.2 Ų60.20%030%0.297CS..Hα-helixtrans-60.9-38.5176.100000112.5L104 R105 Q112 L113 L116 V117 L120L104-A108 PolarHBondContact O-N 3.5Å; R105-A108 WeakPolarHBondContact O-CB 3.3Å; R105-A108 PolarHBondContact O-N 3.12Å; A108-Q112 PolarHBondContact O-N 3.09Å; A108-L113 PolarHBondContact O-N 3.49Å; A108-L116 HydrophobicContact CB-CB 4.17Å; A108-L116 HydrophobicContact CB-CD2 3.65Å; A108-L116 HydrophobicContact CB-CG 3.72Å; A108-V117 HydrophobicContact CB-CG2 3.72Å; A108-L120 HydrophobicContact CB-CD1 4.14Å
109E96.1Very high93Very high91 Ų9163.6 Ų63.643%0.42532%0.316SS..Hα-helixtrans-62.2-47.7171.9-70.8163.9-158.300111R105 K106 E107 F111 Q112 V117R105-E109 IonicContact CZ-OE1 2.85Å; R105-E109 IonicContact NE-OE1 2.75Å; R105-E109 PolarHBondContact NE-OE1 3.1Å; R105-E109 IonicContact NH2-OE1 3.21Å; R105-E109 WeakPolarHBondContact O-CG 3.48Å; R105-E109 PolarHBondContact O-N 3.21Å; K106-E109 PolarHBondContact O-N 2.86Å; E107-E109 VanDerWaalsContact C-N 3.3Å; E107-E109 PolarHBondContact O-N 3.25Å; E109-F111 PolarHBondContact O-N 2.94Å; E109-Q112 PolarHBondContact O-N 3.37Å; E109-Q112 VanDerWaalsContact O-N 3.07Å; E109-V117 HydrophobicContact CB-CG2 4.49Å; E109-V117 HydrophobicContact CG-CG1 4.35Å; E109-V117 HydrophobicContact CG-CG2 3.74Å
110Y96.2Very high93.5Very high95 Ų9558.2 Ų58.237%0.37328%0.28SS..Hα-helixtrans-59.3-47178.1174.5-92.8000112.4L49 R75 K106 E107 Q112L49-Y110 HydrophobicContact CD2-CD1 4.19Å; L49-Y110 HydrophobicContact CD2-CE1 3.65Å; R75-Y110 HydrophobicContact CG-CD1 3.73Å; R75-Y110 HydrophobicContact CG-CE1 3.37Å; R75-Y110 HydrophobicContact CG-CE2 4.45Å; R75-Y110 HydrophobicContact CG-CG 4.43Å; K106-Y110 WeakPolarHBondContact O-CB 3.38Å; K106-Y110 PolarHBondContact O-N 2.98Å; E107-Y110 WeakPolarHBondContact O-CB 3.13Å; E107-Y110 PolarHBondContact O-N 2.95Å; E107-Y110 VanDerWaalsContact O-N 3.15Å; Y110-Q112 PolarHBondContact O-N 3.04Å
111F95.9Very high93.3Very high2 Ų257.3 Ų57.31%0.00928%0.279CS..THydrogen-bonded Turntrans-75.82.3178.1-68.2-67.4000113.6S48 L49 L50 I73 R75 F80 V83 E107 E109 L113S48-F111 WeakPolarHBondContact CB-O 3.44Å; L49-F111 HydrophobicContact CD2-CD1 4.38Å; L49-F111 PolarHBondContact N-O 2.94Å; L50-F111 HydrophobicContact CD1-CD1 3.96Å; L50-F111 HydrophobicContact CD1-CE1 4.23Å; L50-F111 HydrophobicContact CD2-CD1 4.34Å; L50-F111 HydrophobicContact CD2-CE1 4.25Å; L50-F111 HydrophobicContact CG-CD1 3.87Å; L50-F111 HydrophobicContact CG-CE1 4.23Å; I73-F111 HydrophobicContact CD1-CE1 4.47Å; I73-F111 HydrophobicContact CG2-CE1 4.17Å; I73-F111 HydrophobicContact CG2-CZ 4.11Å; R75-F111 HydrophobicContact CB-CZ 4.26Å; R75-F111 HydrophobicContact CG-CZ 4.08Å; F80-F111 HydrophobicContact CD2-CE1 4.31Å; F80-F111 AromaticContact CD2-CE2 3.69Å; F80-F111 HydrophobicContact CD2-CE2 3.69Å; F80-F111 AromaticContact CD2-CZ 3.52Å; F80-F111 HydrophobicContact CD2-CZ 3.52Å; F80-F111 AromaticContact CE2-CE1 3.87Å; F80-F111 HydrophobicContact CE2-CE1 3.87Å; F80-F111 HydrophobicContact CE2-CE2 4Å; F80-F111 AromaticContact CE2-CZ 3.55Å; F80-F111 HydrophobicContact CE2-CZ 3.55Å; V83-F111 HydrophobicContact CB-CD2 4.46Å; V83-F111 HydrophobicContact CG1-CB 4.41Å; V83-F111 HydrophobicContact CG1-CD2 3.82Å; V83-F111 HydrophobicContact CG1-CE2 4.38Å; V83-F111 HydrophobicContact CG1-CG 4.15Å; V83-F111 HydrophobicContact CG2-CD2 4.02Å; V83-F111 HydrophobicContact CG2-CE2 4.34Å; E107-F111 HydrophobicContact CB-CD2 4.41Å; E107-F111 HydrophobicContact CB-CE2 4.41Å; E107-F111 WeakPolarHBondContact O-CD2 3.32Å; E107-F111 PolarHBondContact O-N 3.28Å; E109-F111 PolarHBondContact O-N 2.94Å; F111-L113 HydrophobicContact CB-CD1 3.99Å; F111-L113 HydrophobicContact CB-CG 4.14Å
112Q95.6Very high92.1Very high82 Ų8258.3 Ų58.338%0.38329%0.294SS..THydrogen-bonded Turntrans58.350.5178.8-55.6175.31500112.4L49 A108 E109 Y110 P114L49-Q112 HydrophobicContact CB-CG 4.35Å; A108-Q112 PolarHBondContact O-N 3.09Å; E109-Q112 PolarHBondContact O-N 3.37Å; E109-Q112 VanDerWaalsContact O-N 3.07Å; Y110-Q112 PolarHBondContact O-N 3.04Å; Q112-P114 WeakPolarHBondContact O-CD 3.12Å
113L95.3Very high90.5Very high3 Ų363 Ų632%0.01630%0.303CS..  trans-109.979.3179.6-62.9171.6000110.4T45 S48 V83 Y86 L87 A108 F111 D115 L116 V117T45-L113 HydrophobicContact CG2-CD2 4.15Å; S48-L113 VanDerWaalsContact CB-CD2 3.5Å; V83-L113 HydrophobicContact CG1-CD1 3.69Å; Y86-L113 HydrophobicContact CD1-CD1 4.06Å; Y86-L113 HydrophobicContact CD1-CD2 4.38Å; Y86-L113 HydrophobicContact CE1-CB 4.39Å; Y86-L113 HydrophobicContact CE1-CD1 4.46Å; Y86-L113 HydrophobicContact CE1-CD2 4.08Å; L87-L113 HydrophobicContact CD2-CD1 4.5Å; L87-L113 HydrophobicContact CD2-CD2 3.92Å; A108-L113 PolarHBondContact O-N 3.49Å; F111-L113 HydrophobicContact CB-CD1 3.99Å; F111-L113 HydrophobicContact CB-CG 4.14Å; L113-D115 VanDerWaalsContact C-N 3.33Å; L113-D115 PolarHBondContact O-N 2.87Å; L113-L116 HydrophobicContact CB-CB 3.88Å; L113-L116 HydrophobicContact CB-CD2 4.41Å; L113-L116 HydrophobicContact CD1-CD2 3.95Å; L113-L116 PolarHBondContact O-N 3.36Å; L113-V117 WeakPolarHBondContact O-CG2 3.29Å; L113-V117 PolarHBondContact O-N 3.46Å
114P92.4Very high88.1Confident76 Ų7663.7 Ų63.749%0.49432%0.317SS..Hα-helixtrans-62.7-36.8-170.825-35000113.2Q112 V117 K118Q112-P114 WeakPolarHBondContact O-CD 3.12Å; P114-V117 WeakPolarHBondContact O-CB 3.47Å; P114-V117 PolarHBondContact O-N 3.47Å; P114-K118 WeakPolarHBondContact O-CG 3.31Å; P114-K118 PolarHBondContact O-N 2.87Å
115D92Very high85.7Confident80 Ų8070.4 Ų70.443%0.42835%0.351SS..Hα-helixtrans-72.9-33.1-179.6-57.1-41.7000111.7Y86 L113 V117 K118 L119Y86-D115 WeakPolarHBondContact OH-CB 3.42Å; L113-D115 VanDerWaalsContact C-N 3.33Å; L113-D115 PolarHBondContact O-N 2.87Å; D115-V117 VanDerWaalsContact C-N 3.35Å; D115-K118 PolarHBondContact O-N 2.88Å; D115-K118 IonicContact OD1-NZ 2.79Å; D115-K118 PolarHBondContact OD1-NZ 2.91Å; D115-K118 VanDerWaalsContact OD1-NZ 3.1Å; D115-L119 WeakPolarHBondContact O-CG 3.15Å; D115-L119 PolarHBondContact O-N 3.41Å
116L92.8Very high83Confident1 Ų175.8 Ų75.81%0.00538%0.377CS..Hα-helixtrans-65.6-39.3169.2-179.158.4000111.2Y86 V92 A108 L113 K118 L119 L120Y86-L116 HydrophobicContact CD1-CB 4.01Å; Y86-L116 HydrophobicContact CD1-CD2 4.05Å; Y86-L116 HydrophobicContact CD1-CG 4.48Å; Y86-L116 HydrophobicContact CD2-CB 4.08Å; Y86-L116 HydrophobicContact CD2-CD1 3.83Å; Y86-L116 HydrophobicContact CD2-CG 4.36Å; Y86-L116 HydrophobicContact CE1-CB 3.98Å; Y86-L116 HydrophobicContact CE2-CB 4.04Å; Y86-L116 HydrophobicContact CE2-CD1 4.44Å; Y86-L116 HydrophobicContact CG-CB 4.07Å; Y86-L116 HydrophobicContact CG-CD1 3.98Å; Y86-L116 HydrophobicContact CG-CD2 3.92Å; Y86-L116 HydrophobicContact CG-CG 4.2Å; V92-L116 HydrophobicContact CB-CD1 4.17Å; V92-L116 HydrophobicContact CG1-CD1 3.66Å; A108-L116 HydrophobicContact CB-CB 4.17Å; A108-L116 HydrophobicContact CB-CD2 3.65Å; A108-L116 HydrophobicContact CB-CG 3.72Å; L113-L116 HydrophobicContact CB-CB 3.88Å; L113-L116 HydrophobicContact CB-CD2 4.41Å; L113-L116 HydrophobicContact CD1-CD2 3.95Å; L113-L116 PolarHBondContact O-N 3.36Å; L116-K118 VanDerWaalsContact C-N 3.33Å; L116-K118 PolarHBondContact O-N 3.45Å; L116-L119 PolarHBondContact O-N 3.45Å; L116-L120 HydrophobicContact CD1-CD1 4Å; L116-L120 HydrophobicContact CD1-CG 4.19Å; L116-L120 HydrophobicContact CG-CD1 3.91Å; L116-L120 HydrophobicContact CG-CG 4.49Å; L116-L120 WeakPolarHBondContact O-CB 3.49Å; L116-L120 WeakPolarHBondContact O-CG 3.33Å; L116-L120 PolarHBondContact O-N 3.06Å
117V93.8Very high80.1Confident27 Ų2777.6 Ų77.616%0.16439%0.387CS..Hα-helixtrans-60.4-44.2174.11750000110.9R105 A108 E109 L113 P114 D115 L120 T121R105-V117 HydrophobicContact CG-CG1 4.12Å; A108-V117 HydrophobicContact CB-CG2 3.72Å; E109-V117 HydrophobicContact CB-CG2 4.49Å; E109-V117 HydrophobicContact CG-CG1 4.35Å; E109-V117 HydrophobicContact CG-CG2 3.74Å; L113-V117 WeakPolarHBondContact O-CG2 3.29Å; L113-V117 PolarHBondContact O-N 3.46Å; P114-V117 WeakPolarHBondContact O-CB 3.47Å; P114-V117 PolarHBondContact O-N 3.47Å; D115-V117 VanDerWaalsContact C-N 3.35Å; V117-L120 CarbonylContact O-C 3.54Å; V117-L120 PolarHBondContact O-N 3.48Å; V117-L120 VanDerWaalsContact O-N 3.08Å; V117-T121 HydrophobicContact CG1-CG2 4.41Å; V117-T121 PolarHBondContact O-N 2.88Å; V117-T121 PolarHBondContact O-OG1 2.88Å
118K91.2Very high76.9Confident116 Ų11681.7 Ų81.750%0.50442%0.417SS..Hα-helixtrans-59.9-44.7175.8-69.7173.1-168.3160.40112.5P114 D115 L116 L120 T121P114-K118 WeakPolarHBondContact O-CG 3.31Å; P114-K118 PolarHBondContact O-N 2.87Å; D115-K118 PolarHBondContact O-N 2.88Å; D115-K118 IonicContact OD1-NZ 2.79Å; D115-K118 PolarHBondContact OD1-NZ 2.91Å; D115-K118 VanDerWaalsContact OD1-NZ 3.1Å; L116-K118 VanDerWaalsContact C-N 3.33Å; L116-K118 PolarHBondContact O-N 3.45Å; K118-L120 PolarHBondContact O-N 3.12Å; K118-T121 VanDerWaalsContact CA-OG1 3.28Å; K118-T121 WeakPolarHBondContact CA-OG1 3.37Å; K118-T121 PolarHBondContact O-N 3.17Å; K118-T121 PolarHBondContact O-OG1 3.12Å
119L88.7Confident74.4Confident101 Ų10187.2 Ų87.253%0.52945%0.453SS..Hα-helixtrans-61.9-29175.1-69.3172.3000112.5Y86 D115 L116Y86-L119 HydrophobicContact CE2-CD1 4.15Å; D115-L119 WeakPolarHBondContact O-CG 3.15Å; D115-L119 PolarHBondContact O-N 3.41Å; L116-L119 PolarHBondContact O-N 3.45Å
120L89.2Confident71.7Confident6 Ų689.5 Ų89.53%0.03147%0.468CS..Hα-helixtrans-90-20.4-179.5-64.9172.6000113.2L94 K101 L104 R105 A108 L116 V117 K118L94-L120 HydrophobicContact CD1-CD2 3.72Å; K101-L120 WeakPolarHBondContact CE-O 3.43Å; K101-L120 HydrophobicContact CG-CD2 4.04Å; K101-L120 PolarHBondContact NZ-O 3.16Å; L104-L120 HydrophobicContact CB-CD1 4.48Å; L104-L120 HydrophobicContact CD2-CD1 4.21Å; L104-L120 HydrophobicContact CD2-CD2 4.07Å; L104-L120 HydrophobicContact CG-CD1 3.85Å; R105-L120 HydrophobicContact CB-CB 4.21Å; R105-L120 HydrophobicContact CB-CD1 4.31Å; R105-L120 HydrophobicContact CG-CB 4.12Å; A108-L120 HydrophobicContact CB-CD1 4.14Å; L116-L120 HydrophobicContact CD1-CD1 4Å; L116-L120 HydrophobicContact CD1-CG 4.19Å; L116-L120 HydrophobicContact CG-CD1 3.91Å; L116-L120 HydrophobicContact CG-CG 4.49Å; L116-L120 WeakPolarHBondContact O-CB 3.49Å; L116-L120 WeakPolarHBondContact O-CG 3.33Å; L116-L120 PolarHBondContact O-N 3.06Å; V117-L120 CarbonylContact O-C 3.54Å; V117-L120 PolarHBondContact O-N 3.48Å; V117-L120 VanDerWaalsContact O-N 3.08Å; K118-L120 PolarHBondContact O-N 3.12Å
121T84.5Confident68.7Low42 Ų4293 Ų9326%0.25849%0.493SS..SBendtrans-72.6138.6172.239.90000111V117 K118 E123V117-T121 HydrophobicContact CG1-CG2 4.41Å; V117-T121 PolarHBondContact O-N 2.88Å; V117-T121 PolarHBondContact O-OG1 2.88Å; K118-T121 VanDerWaalsContact CA-OG1 3.28Å; K118-T121 WeakPolarHBondContact CA-OG1 3.37Å; K118-T121 PolarHBondContact O-N 3.17Å; K118-T121 PolarHBondContact O-OG1 3.12Å; T121-E123 PolarHBondContact O-N 3.44Å
122P65.5Low65.8Low100 Ų100100.6 Ų100.665%0.64953%0.527SS*.  trans-66.3115.2163.7-3.519.2000107.4D124P122-D124 PolarHBondContact O-N 3.3Å
123E56.7Low62.8Low143 Ų143106.5 Ų106.567%0.66855%0.552SS**  trans-71.3108.6167.8-68.9-70.1169.600107.6T121 I125T121-E123 PolarHBondContact O-N 3.44Å; E123-I125 PolarHBondContact O-N 2.63Å
124D44.8Very low60.3Low141 Ų141113.5 Ų113.575%0.75458%0.584SS**  trans-64.4111.9164.1-70.6-44.6000107.1P122 K126P122-D124 PolarHBondContact O-N 3.3Å; D124-K126 PolarHBondContact O-N 2.79Å
125I44.3Very low57.5Low141 Ų141115.6 Ų115.672%0.72360%0.6SS**  trans-60.2101.7173.4-59.6171.3000107.3E123 H127E123-I125 PolarHBondContact O-N 2.63Å; I125-H127 VanDerWaalsContact C-N 3.35Å; I125-H127 PolarHBondContact O-N 3.48Å
126K40Very low55Low201 Ų201119.2 Ų119.287%0.87462%0.62SS**  trans-65.894.4168.4-67.5-179.2-178.8178.20108D124 S128D124-K126 PolarHBondContact O-N 2.79Å; K126-S128 PolarHBondContact O-N 3.14Å
127H34.4Very low52.2Low166 Ų166128.7 Ų128.777%0.76966%0.664SS**  trans-70.2111.4160.4-80.9-89.7000107.9I125I125-H127 VanDerWaalsContact C-N 3.35Å; I125-H127 PolarHBondContact O-N 3.48Å
128S29.7Very low50Low101 Ų101135.9 Ų135.971%0.70670%0.695SS**  trans-62.1133.1166.3-172.80000109.3K126 D130K126-S128 PolarHBondContact O-N 3.14Å; S128-D130 PolarHBondContact O-N 3.42Å
129P43.4Very low47.4Very low117 Ų117137.8 Ų137.876%0.7671%0.711SS**  trans-93.684.3179.135.2-26.9000109.2
130D39.4Very low44.7Very low138 Ų138136 Ų13674%0.73872%0.717SS**  trans-155.292.4162.4-86.8-37.3000106.9S128S128-D130 PolarHBondContact O-N 3.42Å
131D32.6Very low42.3Very low168 Ų168141.8 Ų141.890%0.89876%0.758SS**  -173.3114.9128.8-93.1-34.3000110
132F36Very low40.1Very low163 Ų163149 Ų14972%0.71579%0.789SS**  trans-107108.5-175.4-167.8-83.8000106H134F132-H134 AromaticContact CE1-CD2 3.72Å; F132-H134 AromaticContact CE1-NE2 3.39Å; F132-H134 WeakPolarHBondContact CE1-NE2 3.39Å; F132-H134 AromaticContact CZ-NE2 3.95Å
133F31.8Very low38.5Very low206 Ų206147.7 Ų147.790%0.90479%0.793SS**  trans-147.3128.7157.3-88.8-71.3000113.2
134H43Very low37.5Very low150 Ų150146.5 Ų146.569%0.69480%0.801SS**  trans-65.5149.3173.4-72.1-96.6000113.1F132F132-H134 AromaticContact CE1-CD2 3.72Å; F132-H134 AromaticContact CE1-NE2 3.39Å; F132-H134 WeakPolarHBondContact CE1-NE2 3.39Å; F132-H134 AromaticContact CZ-NE2 3.95Å
135S33.3Very low37.3Very low119 Ų119148.2 Ų148.283%0.83281%0.81SS**  -178.1130.5113.4330000111.5
136D40.5Very low36.9Very low157 Ų157149.5 Ų149.584%0.8481%0.812SS**  trans-61.7148.8162.3-82.4-42.5000111.2
137H34Very low37Very low200 Ų200151.7 Ų151.793%0.92682%0.815SS**  trans-157.7133.7139.4-113.1-74.3000111.2
138E46.9Very low36.9Very low178 Ų178152.5 Ų152.583%0.83282%0.819SS**  trans-75157.6-173.9-87.5-102.5111.400116
139D35.8Very low37.1Very low156 Ų156153.1 Ų153.183%0.83482%0.822SS**  trans78.6135.8137.5-15728.8000123
140G32.7Very low36.7Very low63 Ų63153 Ų15365%0.64982%0.821SS**  trans103.394.3147.200000118.8
141S38.6Very low36.4Very low127 Ų127151.4 Ų151.489%0.88882%0.819SS**  153.9134.1117.1-164.80000113.9
142Q39.5Very low37.1Very low194 Ų194148.3 Ų148.391%0.90781%0.808SS**  trans-81.4151.8-177.9-63.1-173.14.900113.2
143G31.8Very low37.6Very low73 Ų73145.1 Ų145.175%0.75381%0.806SS**  trans121.585.3140.900000116.9
144S35.1Very low38.2Very low117 Ų117143.2 Ų143.282%0.81880%0.804SS**  trans173.2121.213154.50000110.3H146S144-H146 PolarHBondContact O-N 3.2Å
145D41.4Very low38.3Very low178 Ų178139.5 Ų139.595%0.95279%0.792SS**  trans-62.198.7177.8-82.4-54.1000112.2
146H35.8Very low39.1Very low167 Ų167137.9 Ų137.977%0.77378%0.778SS**  trans-126.2116.3155.4-146.240.3000106.9S144 Q148S144-H146 PolarHBondContact O-N 3.2Å; H146-Q148 PolarHBondContact O-N 3.38Å
147R42.1Very low39.7Very low247 Ų247132.8 Ų132.893%0.93276%0.759SS**  trans-55.499.8178.5-76.4-177.3-170164.66.8109.1C149R147-C149 PolarHBondContact O-N 3.2Å
148Q30.6Very low40.7Very low183 Ų183128.9 Ų128.986%0.85574%0.744SS**  trans-80.5103.9171.8-77.1169.5-9.500107.8H146H146-Q148 PolarHBondContact O-N 3.38Å
149C34.7Very low41.7Very low114 Ų114126 Ų12677%0.7773%0.726SS**PPolyproline II helixtrans-57.4140.3155.2-63.50000108.4R147R147-C149 PolarHBondContact O-N 3.2Å
150P35.6Very low43.8Very low114 Ų114120.9 Ų120.974%0.7470%0.696SS**PPolyproline II helixtrans-61.8148.8175.725.2-31.4000110.5
151P33.4Very low46.6Very low105 Ų105118.3 Ų118.368%0.68267%0.669SS**PPolyproline II helixtrans-62.3147.9-172.724.6-32.8000111.8S153P151-S153 PolarHBondContact O-N 3Å
152P45.9Very low49.3Very low104 Ų104112.6 Ų112.668%0.67563%0.63SS**SBendtrans-73.33.6-167.4-15.529.9000116.5K160P152-K160 PolarHBondContact O-NZ 2.75Å
153S47.1Very low52.1Low95 Ų95108.3 Ų108.366%0.66461%0.608SS**SBendtrans-1038.5-149.4550000118.8P151P151-S153 PolarHBondContact O-N 3Å
154L43.5Very low55.2Low167 Ų167104.9 Ų104.987%0.87457%0.572SS**SBendtrans-13218.3-179.6-70.7173.5000116.2
155V46.3Very low58.3Low71 Ų71100.7 Ų100.743%0.4354%0.542SS..SBendtrans-114.8123.9174.9-153.40000109.2A157 R159V155-A157 PolarHBondContact O-N 3.31Å; V155-R159 HydrophobicContact CG1-CB 3.73Å; V155-R159 HydrophobicContact CG1-CG 4.38Å
156P50.6Low61Low85 Ų8592.2 Ų92.255%0.55250%0.497SS*.  trans-45129.8173.9-29.233000110.8D158 R159P156-D158 PolarHBondContact O-N 2.93Å; P156-R159 WeakPolarHBondContact O-CB 3.43Å; P156-R159 PolarHBondContact O-N 2.85Å
157A52.8Low63.8Low51 Ų5184.3 Ų84.342%0.42146%0.46SS..Hα-helixtrans-52.7-27.4-17200000113.6V155 R159 K160V155-A157 PolarHBondContact O-N 3.31Å; A157-R159 VanDerWaalsContact C-N 3.33Å; A157-R159 PolarHBondContact O-N 2.8Å; A157-K160 PolarHBondContact O-N 2.98Å
158D54.6Low66.3Low118 Ų11873.4 Ų73.463%0.63142%0.419SS*.Hα-helixtrans-67.3-28.7177.5-16436.9000113.6P156 K160 S161P156-D158 PolarHBondContact O-N 2.93Å; D158-K160 PolarHBondContact O-N 2.96Å; D158-S161 PolarHBondContact O-N 2.9Å; D158-S161 PolarHBondContact O-OG 2.84Å; D158-S161 VanDerWaalsContact O-OG 3.11Å
159R67.3Low69Low116 Ų11670.7 Ų70.744%0.43840%0.401SS..Hα-helixtrans-74.6-23.5-179.7-74.6-174.9155.1-139.1-5.2113.8V155 P156 A157 R195 E218V155-R159 HydrophobicContact CG1-CB 3.73Å; V155-R159 HydrophobicContact CG1-CG 4.38Å; P156-R159 WeakPolarHBondContact O-CB 3.43Å; P156-R159 PolarHBondContact O-N 2.85Å; A157-R159 VanDerWaalsContact C-N 3.33Å; A157-R159 PolarHBondContact O-N 2.8Å; R159-R195 PolarHBondContact O-NH1 3.5Å; R159-E218 IonicContact CZ-OE1 3.7Å; R159-E218 IonicContact NH1-OE1 2.7Å; R159-E218 PolarHBondContact NH1-OE1 3.02Å; R159-E218 VanDerWaalsContact NH2-CD 3.35Å; R159-E218 IonicContact NH2-OE1 2.92Å; R159-E218 PolarHBondContact NH2-OE1 2.97Å
160K80.5Confident71.1Confident49 Ų4965.8 Ų65.821%0.21337%0.37CS..Hα-helixtrans-84.1-18.3177.4-67.7-178177.6179.90112.4P152 A157 D158 R276P152-K160 PolarHBondContact O-NZ 2.75Å; A157-K160 PolarHBondContact O-N 2.98Å; D158-K160 PolarHBondContact O-N 2.96Å; K160-R276 PolarHBondContact O-NE 2.86Å; K160-R276 PolarHBondContact O-NH2 2.96Å
161S91.4Very high72.6Confident10 Ų1065.1 Ų65.17%0.0737%0.368CS..  trans-84.8150.6174.682.60000112.1D158 R195 R276 P278D158-S161 PolarHBondContact O-N 2.9Å; D158-S161 PolarHBondContact O-OG 2.84Å; D158-S161 VanDerWaalsContact O-OG 3.11Å; S161-R195 PolarHBondContact O-NH1 3.17Å; S161-R195 VanDerWaalsContact O-NH1 3.09Å; S161-R276 CarbonylContact C-O 3.59Å; S161-R276 WeakPolarHBondContact CA-O 3.26Å; S161-R276 WeakPolarHBondContact CB-O 3.32Å; S161-P278 VanDerWaalsContact CB-N 3.31Å
162G95.1Very high73.9Confident7 Ų763.2 Ų63.27%0.07236%0.356CS..EExtended strand (participates in β ladder)trans153.7-174.7172.900000114.3F243 Y275 R276G162-F243 WeakPolarHBondContact O-CE1 3.22Å; G162-Y275 WeakPolarHBondContact O-CD2 3.48Å; G162-R276 PolarHBondContact N-O 3.04Å; G162-R276 PolarHBondContact O-N 3.47Å
163F97.9Very high74.3Confident104 Ų10464.1 Ų64.146%0.45636%0.36SS..EExtended strand (participates in β ladder)trans-104.2141.4-179.7-67.8-92000111.6V246 V273 F274 Y275F163-V246 HydrophobicContact CE1-CG2 4.24Å; F163-V273 HydrophobicContact CD1-CG1 3.77Å; F163-V273 HydrophobicContact CE1-CG1 4.32Å; F163-F274 CarbonylContact C-O 3.5Å; F163-F274 VanDerWaalsContact CA-O 3.24Å; F163-F274 WeakPolarHBondContact CA-O 3.37Å; F163-Y275 AromaticContact CD1-CD2 3.88Å; F163-Y275 HydrophobicContact CD1-CD2 3.88Å; F163-Y275 HydrophobicContact CD1-CG 4.29Å; F163-Y275 AromaticContact CD2-CD2 3.81Å; F163-Y275 HydrophobicContact CD2-CD2 3.81Å; F163-Y275 HydrophobicContact CD2-CE2 4.25Å; F163-Y275 AromaticContact CE1-CD2 3.61Å; F163-Y275 HydrophobicContact CE1-CD2 3.61Å; F163-Y275 AromaticContact CE1-CG 3.88Å; F163-Y275 HydrophobicContact CE1-CG 3.88Å; F163-Y275 AromaticContact CE2-CD2 3.52Å; F163-Y275 HydrophobicContact CE2-CD2 3.52Å; F163-Y275 AromaticContact CE2-CE2 3.76Å; F163-Y275 HydrophobicContact CE2-CE2 3.76Å; F163-Y275 AromaticContact CG-CD2 3.98Å; F163-Y275 HydrophobicContact CG-CD2 3.98Å; F163-Y275 AromaticContact CZ-CD2 3.42Å; F163-Y275 HydrophobicContact CZ-CD2 3.42Å; F163-Y275 VanDerWaalsContact CZ-CD2 3.42Å; F163-Y275 AromaticContact CZ-CE2 3.94Å; F163-Y275 HydrophobicContact CZ-CE2 3.94Å; F163-Y275 AromaticContact CZ-CG 3.99Å; F163-Y275 HydrophobicContact CZ-CG 3.99Å
164I98.3Very high74.6Confident0 Ų068.7 Ų68.70%037%0.373CS..EExtended strand (participates in β ladder)trans-123.2134.9163.4-68.2177.3000107.2V166 I192 C193 L198 V202 F203 L238 F243 F274I164-V166 HydrophobicContact CG2-CG2 4.42Å; I164-I192 HydrophobicContact CG2-CG2 4.15Å; I164-C193 CarbonylContact C-O 3.59Å; I164-C193 WeakPolarHBondContact CA-O 3.19Å; I164-L198 HydrophobicContact CD1-CB 4.01Å; I164-L198 HydrophobicContact CG1-CB 4.28Å; I164-V202 HydrophobicContact CD1-CB 4.45Å; I164-V202 HydrophobicContact CD1-CG2 3.87Å; I164-F203 HydrophobicContact CG2-CE2 4.27Å; I164-L238 HydrophobicContact CB-CD2 4.09Å; I164-L238 HydrophobicContact CD1-CD2 3.74Å; I164-L238 HydrophobicContact CG1-CD2 4.49Å; I164-L238 HydrophobicContact CG2-CD2 4.01Å; I164-F243 HydrophobicContact CB-CE1 4.24Å; I164-F243 HydrophobicContact CD1-CE1 3.82Å; I164-F243 HydrophobicContact CD1-CE2 4.1Å; I164-F243 HydrophobicContact CD1-CZ 3.59Å; I164-F243 HydrophobicContact CG1-CE1 3.8Å; I164-F243 HydrophobicContact CG1-CZ 4.04Å; I164-F274 PolarHBondContact N-O 2.87Å; I164-F274 WeakPolarHBondContact O-CA 3.43Å; I164-F274 WeakPolarHBondContact O-CB 3.31Å; I164-F274 PolarHBondContact O-N 2.81Å
165T98.6Very high74.7Confident30 Ų3063.6 Ų63.618%0.18436%0.361CS..EExtended strand (participates in β ladder)trans-114.2126.1173.5-54.40000109.4C193 E271 Y272 V273T165-C193 PolarHBondContact N-O 3.32Å; T165-C193 PolarHBondContact O-N 2.9Å; T165-E271 HydrophobicContact CG2-CB 3.99Å; T165-Y272 CarbonylContact C-O 3.52Å; T165-Y272 WeakPolarHBondContact CA-O 3.38Å; T165-V273 HydrophobicContact CG2-CG2 4.29Å
166V98.1Very high74.6Confident0 Ų072.1 Ų72.10%039%0.386CS..EExtended strand (participates in β ladder)trans-103.1121.9176.7-176.60000107.9I164 I190 L191 I192 L231 F235 L238 E271 Y272 F274I164-V166 HydrophobicContact CG2-CG2 4.42Å; V166-I190 HydrophobicContact CG1-CG2 3.36Å; V166-L191 WeakPolarHBondContact CA-O 3.45Å; V166-I192 HydrophobicContact CB-CD1 4.42Å; V166-I192 HydrophobicContact CG1-CD1 4.2Å; V166-I192 HydrophobicContact CG2-CD1 3.9Å; V166-L231 HydrophobicContact CG1-CD2 4.09Å; V166-F235 HydrophobicContact CB-CE1 4.39Å; V166-F235 HydrophobicContact CG1-CE1 4.22Å; V166-L238 HydrophobicContact CG2-CD1 3.48Å; V166-L238 VanDerWaalsContact CG2-CD1 3.48Å; V166-E271 CarbonylContact O-C 3.49Å; V166-E271 WeakPolarHBondContact O-CA 3.45Å; V166-Y272 PolarHBondContact N-O 3.16Å; V166-Y272 WeakPolarHBondContact O-CD2 3.32Å; V166-Y272 PolarHBondContact O-N 3.37Å; V166-F274 HydrophobicContact CB-CE2 4.48Å; V166-F274 HydrophobicContact CG2-CD2 4.14Å; V166-F274 HydrophobicContact CG2-CE2 4.09Å
167G95.8Very high74.6Confident0 Ų075.7 Ų75.70%040%0.395CS..EExtended strand (participates in β ladder)trans-127.1157-178.400000112.9I190 L191 T270G167-I190 CarbonylContact O-C 3.52Å; G167-I190 WeakPolarHBondContact O-CA 3.33Å; G167-L191 PolarHBondContact N-O 3.07Å; G167-L191 PolarHBondContact O-N 3.03Å; G167-T270 CarbonylContact C-O 3.56Å; G167-T270 VanDerWaalsContact CA-O 3.25Å; G167-T270 WeakPolarHBondContact CA-O 3.32Å
168Y93.6Very high74.2Confident18 Ų1878.4 Ų78.47%0.07141%0.411CS..EExtended strand (participates in β ladder)trans-146.6151.6162.679.2-82.3000110.9R185 V187 R189 L231 T270 Y272Y168-R185 VanDerWaalsContact CE1-NH2 3.26Å; Y168-R185 VanDerWaalsContact CZ-NE 3.3Å; Y168-R185 PolarHBondContact OH-NE 3.21Å; Y168-R185 PolarHBondContact OH-NH2 3.08Å; Y168-V187 HydrophobicContact CD2-CB 4.48Å; Y168-V187 HydrophobicContact CD2-CG1 4.15Å; Y168-V187 HydrophobicContact CD2-CG2 4.27Å; Y168-V187 HydrophobicContact CE2-CG2 4.41Å; Y168-V187 HydrophobicContact CG-CG1 3.88Å; Y168-V187 HydrophobicContact CG-CG2 4.37Å; Y168-R189 WeakPolarHBondContact CB-O 3.36Å; Y168-L231 HydrophobicContact CD1-CD1 3.77Å; Y168-L231 HydrophobicContact CD1-CD2 4.29Å; Y168-L231 HydrophobicContact CE1-CD1 3.79Å; Y168-T270 HydrophobicContact CE1-CG2 4.21Å; Y168-T270 PolarHBondContact N-O 2.98Å; Y168-T270 PolarHBondContact O-N 3.02Å; Y168-Y272 HydrophobicContact CE1-CE2 4.42Å
169R87.8Confident73.5Confident127 Ų12780.5 Ų80.548%0.47942%0.417SS..EExtended strand (participates in β ladder)trans-96.6122.6176.6-163.6179.2-177.9127.1-2.5109.9P188 S267 S268 Y269R169-P188 WeakPolarHBondContact O-CD 3.45Å; R169-P188 WeakPolarHBondContact O-CG 3.33Å; R169-S267 PolarHBondContact NE-OG 3.21Å; R169-S267 PolarHBondContact NH2-OG 3.44Å; R169-S268 CarbonylContact C-O 3.57Å; R169-S268 VanDerWaalsContact CA-O 3.32Å; R169-S268 WeakPolarHBondContact CA-O 3.35Å; R169-S268 WeakPolarHBondContact CG-O 3.43Å; R169-Y269 HydrophobicContact CB-CD2 4.38Å
170G80.1Confident72.4Confident11 Ų1181.2 Ų81.211%0.11344%0.44CS..EExtended strand (participates in β ladder)trans-93.4140.5168.300000110.8S268G170-S268 WeakPolarHBondContact CA-OG 3.25Å; G170-S268 PolarHBondContact N-O 3.38Å; G170-S268 PolarHBondContact O-N 3.05Å; G170-S268 PolarHBondContact O-OG 2.8Å
171S66.9Low70.3Confident100 Ų10084.7 Ų84.770%0.69946%0.461SS*.EExtended strand (participates in β ladder)trans-98.2119.7170.2540000109.4
172C60.3Low68.3Low65 Ų6587.6 Ų87.644%0.43949%0.485SS..EExtended strand (participates in β ladder)trans-98.390.1170.5-620000107.7M174 W266C172-M174 PolarHBondContact O-N 3.17Å; C172-W266 HydrophobicContact CB-CB 4.12Å; C172-W266 PolarHBondContact N-O 2.9Å; C172-W266 VanDerWaalsContact N-O 3.11Å
173T54.2Low66.2Low123 Ų12396.9 Ų96.976%0.75552%0.524SS*.  trans-81.3108.4168.452.70000107.6G175T173-G175 PolarHBondContact O-N 3.15Å
174M52.6Low64.1Low190 Ų190100.8 Ų100.894%0.93654%0.54SS*.  trans-7177168.8-169.471.5127.600108.2C172C172-M174 PolarHBondContact O-N 3.17Å
175G45.6Very low62.3Low61 Ų61107 Ų10763%0.62956%0.564SS**  trans-118.1125.917900000109.6T173T173-G175 PolarHBondContact O-N 3.15Å
176R43.8Very low61Low250 Ų250116.5 Ų116.594%0.94360%0.596SS**  trans-23.4124.1-175.2-67.1177.9-168-150.70.9115.3S178R176-S178 PolarHBondContact O-N 2.9Å; R176-S178 VanDerWaalsContact O-N 3.11Å
177E52Low59.6Low159 Ų159117.1 Ų117.174%0.74360%0.6SS**  trans-36.3106.6164.4-170.2172-147.800113.2K389E177-K389 WeakPolarHBondContact OE2-CE 3.4Å; E177-K389 IonicContact OE2-NZ 3.39Å; E177-K389 PolarHBondContact OE2-NZ 2.83Å
178S44.1Very low58.6Low109 Ų109120.2 Ų120.276%0.76262%0.62SS**  trans-160.7139.7151.7-168.70000109.1R176R176-S178 PolarHBondContact O-N 2.9Å; R176-S178 VanDerWaalsContact O-N 3.11Å
179Q39.2Very low58.5Low162 Ų162123.7 Ų123.776%0.75763%0.633SS**  trans78.799.8-174.8-68.3-178.2-1.100117.4D181Q179-D181 VanDerWaalsContact C-N 3.28Å; Q179-D181 PolarHBondContact O-N 3.39Å
180S44.3Very low58.9Low130 Ų130117.6 Ų117.691%0.90961%0.61SS**  trans-55.190.5144.751.20000109.3
181D37.6Very low59.8Low123 Ų123118.8 Ų118.866%0.65861%0.614SS**  trans-128.6135.3164.8-147-7.1000108.2Q179 K183Q179-D181 VanDerWaalsContact C-N 3.28Å; Q179-D181 PolarHBondContact O-N 3.39Å; D181-K183 WeakPolarHBondContact O-CG 3.47Å; D181-K183 PolarHBondContact O-N 3.44Å
182A47.7Very low61.2Low70 Ų70114.1 Ų114.158%0.57958%0.581SS**  trans-50.4106.4-171.300000109.9F184A182-F184 HydrophobicContact CB-CD2 4.37Å; A182-F184 HydrophobicContact CB-CE2 4.02Å; A182-F184 VanDerWaalsContact O-CD2 3.3Å; A182-F184 WeakPolarHBondContact O-CD2 3.48Å; A182-F184 PolarHBondContact O-N 3.18Å
183K51.3Low63Low203 Ų203112.1 Ų112.188%0.88357%0.568SS**  trans-75.476.9-174-70-175.7-178.41750109.8D181 R185D181-K183 WeakPolarHBondContact O-CG 3.47Å; D181-K183 PolarHBondContact O-N 3.44Å; K183-R185 PolarHBondContact O-N 2.91Å
184F54.2Low65.1Low185 Ų185106.8 Ų106.881%0.81154%0.537SS*.  trans-55138.7164-70.6-81000109.1A182 R186A182-F184 HydrophobicContact CB-CD2 4.37Å; A182-F184 HydrophobicContact CB-CE2 4.02Å; A182-F184 VanDerWaalsContact O-CD2 3.3Å; A182-F184 WeakPolarHBondContact O-CD2 3.48Å; A182-F184 PolarHBondContact O-N 3.18Å; F184-R186 PolarHBondContact O-N 3.45Å
185R61.6Low67.2Low132 Ų13299.7 Ų99.750%0.49850%0.5SS..  trans-63.796178.5-167.3-178.8-166.21559109.2Y168 K183 V187 Y272Y168-R185 VanDerWaalsContact CE1-NH2 3.26Å; Y168-R185 VanDerWaalsContact CZ-NE 3.3Å; Y168-R185 PolarHBondContact OH-NE 3.21Å; Y168-R185 PolarHBondContact OH-NH2 3.08Å; K183-R185 PolarHBondContact O-N 2.91Å; R185-V187 HydrophobicContact CG-CG2 4.07Å; R185-V187 PolarHBondContact O-N 3.2Å; R185-Y272 PolarHBondContact NH1-OH 3.35Å; R185-Y272 PolarHBondContact NH2-OH 2.71Å
186R69.4Low69.6Low228 Ų22896.8 Ų96.886%0.8647%0.47SS*.  trans-74.196.4175.8-170.7176.2-178.9-174.80.8109.1F184 P188F184-R186 PolarHBondContact O-N 3.45Å; R186-P188 VanDerWaalsContact O-CD 3.25Å; R186-P188 WeakPolarHBondContact O-CD 3.31Å
187V69.8Low72Confident13 Ų1386.6 Ų86.68%0.07944%0.439CS..  trans-86.5106.1174.3179.40000108.3Y168 R185 I190 K229 L231Y168-V187 HydrophobicContact CD2-CB 4.48Å; Y168-V187 HydrophobicContact CD2-CG1 4.15Å; Y168-V187 HydrophobicContact CD2-CG2 4.27Å; Y168-V187 HydrophobicContact CE2-CG2 4.41Å; Y168-V187 HydrophobicContact CG-CG1 3.88Å; Y168-V187 HydrophobicContact CG-CG2 4.37Å; R185-V187 HydrophobicContact CG-CG2 4.07Å; R185-V187 PolarHBondContact O-N 3.2Å; V187-I190 HydrophobicContact CG1-CD1 4.46Å; V187-I190 HydrophobicContact CG1-CG1 3.65Å; V187-K229 WeakPolarHBondContact CB-O 3.43Å; V187-L231 HydrophobicContact CG1-CG 4.24Å; V187-L231 HydrophobicContact CG2-CD1 3.65Å; V187-L231 HydrophobicContact CG2-CG 3.96Å
188P75.5Confident74.2Confident65 Ų6579 Ų7942%0.42240%0.403SS..  trans-73.8-35.2-17327.9-32.8000112.2R169 R186 K229R169-P188 WeakPolarHBondContact O-CD 3.45Å; R169-P188 WeakPolarHBondContact O-CG 3.33Å; R186-P188 VanDerWaalsContact O-CD 3.25Å; R186-P188 WeakPolarHBondContact O-CD 3.31Å; P188-K229 WeakPolarHBondContact O-CE 3.33Å
189R91Very high76.7Confident91 Ų9173.8 Ų73.834%0.34337%0.367SS..  trans-162.3132.4-178.2-171.8174.6-62.4-1622.7109.4Y168 R211 Y225Y168-R189 WeakPolarHBondContact CB-O 3.36Å; R189-R211 VanDerWaalsContact NH1-CZ 3.34Å; R189-Y225 HydrophobicContact CG-CD2 3.86Å; R189-Y225 HydrophobicContact CG-CG 4.05Å
190I96.4Very high79.4Confident0 Ų069.8 Ų69.80%035%0.347CS..EExtended strand (participates in β ladder)trans-93118.1174.9-58.2171000107.8V166 G167 V187 I192 Y225 L226 F228 H230 L231V166-I190 HydrophobicContact CG1-CG2 3.36Å; G167-I190 CarbonylContact O-C 3.52Å; G167-I190 WeakPolarHBondContact O-CA 3.33Å; V187-I190 HydrophobicContact CG1-CD1 4.46Å; V187-I190 HydrophobicContact CG1-CG1 3.65Å; I190-I192 HydrophobicContact CG2-CD1 4.17Å; I190-Y225 CarbonylContact O-C 3.51Å; I190-Y225 WeakPolarHBondContact O-CA 3.3Å; I190-Y225 WeakPolarHBondContact O-CB 3.44Å; I190-L226 HydrophobicContact CB-CB 4.26Å; I190-L226 HydrophobicContact CB-CD1 4.13Å; I190-L226 HydrophobicContact CB-CG 4.29Å; I190-L226 HydrophobicContact CD1-CD1 4.28Å; I190-L226 HydrophobicContact CG2-CD1 3.8Å; I190-L226 HydrophobicContact CG2-CG 4.21Å; I190-L226 PolarHBondContact O-N 3.3Å; I190-F228 HydrophobicContact CD1-CD2 4.35Å; I190-F228 HydrophobicContact CD1-CE2 4.31Å; I190-H230 WeakPolarHBondContact CD1-O 2.99Å; I190-L231 HydrophobicContact CD1-CD2 4Å; I190-L231 HydrophobicContact CD1-CG 4.31Å; I190-L231 HydrophobicContact CG1-CD2 3.91Å; I190-L231 HydrophobicContact CG1-CG 4.46Å; I190-L231 HydrophobicContact CG2-CD2 4.23Å
191L97.5Very high81.8Confident36 Ų3668 Ų6819%0.18832%0.324CS..EExtended strand (participates in β ladder)trans-89.3143.3175.1-62.695.3000109.9V166 G167 F224 Y269V166-L191 WeakPolarHBondContact CA-O 3.45Å; G167-L191 PolarHBondContact N-O 3.07Å; G167-L191 PolarHBondContact O-N 3.03Å; L191-F224 WeakPolarHBondContact CA-O 3.39Å; L191-Y269 HydrophobicContact CD1-CE2 4.25Å
192I98.3Very high84.6Confident1 Ų162.7 Ų62.71%0.00530%0.296CS..EExtended strand (participates in β ladder)trans-121.8123.9177.6-56.6-61000108.8I164 V166 I190 A199 F203 L207 F224 L226I164-I192 HydrophobicContact CG2-CG2 4.15Å; V166-I192 HydrophobicContact CB-CD1 4.42Å; V166-I192 HydrophobicContact CG1-CD1 4.2Å; V166-I192 HydrophobicContact CG2-CD1 3.9Å; I190-I192 HydrophobicContact CG2-CD1 4.17Å; I192-A199 HydrophobicContact CG2-CB 4.04Å; I192-F203 HydrophobicContact CD1-CD2 4.41Å; I192-F203 HydrophobicContact CD1-CE1 4.47Å; I192-F203 HydrophobicContact CD1-CE2 3.72Å; I192-F203 HydrophobicContact CD1-CZ 3.75Å; I192-F203 HydrophobicContact CG1-CD2 4.35Å; I192-F203 HydrophobicContact CG1-CE2 4.11Å; I192-F203 HydrophobicContact CG2-CD2 4.18Å; I192-F203 HydrophobicContact CG2-CE2 3.88Å; I192-L207 HydrophobicContact CB-CD1 4.22Å; I192-L207 HydrophobicContact CG1-CD1 4.11Å; I192-L207 HydrophobicContact CG2-CD1 4.42Å; I192-F224 HydrophobicContact CB-CB 4.22Å; I192-F224 PolarHBondContact N-O 3.3Å; I192-L226 HydrophobicContact CD1-CD1 4.04Å; I192-L226 HydrophobicContact CD1-CD2 4.21Å; I192-L226 HydrophobicContact CD1-CG 4Å; I192-L226 HydrophobicContact CG1-CD1 4.41Å; I192-L226 HydrophobicContact CG1-CD2 3.79Å; I192-L226 HydrophobicContact CG1-CG 3.82Å
193C98.1Very high87Confident24 Ų2459.5 Ų59.516%0.16227%0.27CS..EExtended strand (participates in β ladder)trans-120140.1175.3-52.10000109.6I164 T165 T221 S222I164-C193 CarbonylContact C-O 3.59Å; I164-C193 WeakPolarHBondContact CA-O 3.19Å; T165-C193 PolarHBondContact N-O 3.32Å; T165-C193 PolarHBondContact O-N 2.9Å; C193-T221 CarbonylContact C-O 3.48Å; C193-T221 VanDerWaalsContact CA-O 3.25Å; C193-T221 WeakPolarHBondContact CA-O 3.46Å; C193-S222 VanDerWaalsContact SG-CA 3.57Å
194G97.3Very high89.1Confident10 Ų1051.8 Ų51.810%0.10325%0.247CC..EExtended strand (participates in β ladder)trans151.8-169.9-179.800000113Y220 T221G194-Y220 CarbonylContact O-C 3.22Å; G194-Y220 VanDerWaalsContact O-CA 3.29Å; G194-Y220 WeakPolarHBondContact O-CA 3.49Å; G194-T221 PolarHBondContact N-O 3.5Å; G194-T221 PolarHBondContact O-N 2.82Å
195R96.4Very high91.1Very high41 Ų4151.2 Ų51.216%0.15525%0.247CC..EExtended strand (participates in β ladder)trans-67.5133.7174.2-165.6-176.5-60.2162.3-0.2109.5R159 S161 A197 L198 A199 Y220R159-R195 PolarHBondContact O-NH1 3.5Å; S161-R195 PolarHBondContact O-NH1 3.17Å; S161-R195 VanDerWaalsContact O-NH1 3.09Å; R195-A197 VanDerWaalsContact C-N 3.35Å; R195-A197 PolarHBondContact O-N 2.92Å; R195-L198 HydrophobicContact CB-CB 4.44Å; R195-L198 HydrophobicContact CB-CD1 4.04Å; R195-L198 HydrophobicContact CB-CG 4.14Å; R195-L198 PolarHBondContact O-N 3.18Å; R195-A199 PolarHBondContact O-N 3.26Å; R195-Y220 HydrophobicContact CB-CD1 4.19Å; R195-Y220 HydrophobicContact CB-CE1 3.9Å; R195-Y220 PolarHBondContact NE-OH 2.72Å; R195-Y220 PolarHBondContact NH2-OH 2.98Å; R195-Y220 VanDerWaalsContact NH2-OH 3.11Å
196V95.9Very high92.8Very high0 Ų046.3 Ų46.30%023%0.232CC..Hα-helixtrans-58.8-45.2-175.2171.10000111.5L198 A199 K200 R215 R219 T221 F224V196-L198 VanDerWaalsContact C-N 3.33Å; V196-L198 PolarHBondContact O-N 3.08Å; V196-A199 PolarHBondContact O-N 3Å; V196-K200 HydrophobicContact CG1-CD 4.09Å; V196-K200 HydrophobicContact CG1-CG 4.35Å; V196-K200 WeakPolarHBondContact O-CG 3.03Å; V196-K200 PolarHBondContact O-N 3.33Å; V196-R215 HydrophobicContact CG2-CB 4.09Å; V196-R215 HydrophobicContact CG2-CG 4.05Å; V196-R219 VanDerWaalsContact CG2-O 3.26Å; V196-R219 WeakPolarHBondContact CG2-O 3.48Å; V196-R219 PolarHBondContact N-O 2.84Å; V196-T221 HydrophobicContact CG2-CG2 4.03Å; V196-F224 HydrophobicContact CG1-CE2 4.28Å; V196-F224 HydrophobicContact CG1-CZ 4.42Å; V196-F224 HydrophobicContact CG2-CE2 4.28Å; V196-F224 HydrophobicContact CG2-CZ 4.38Å
197A95.4Very high94.1Very high36 Ų3635.8 Ų35.830%0.29819%0.193SC..Hα-helixtrans-55.1-46.1177.800000112.3R195 K200 E201 P217R195-A197 VanDerWaalsContact C-N 3.35Å; R195-A197 PolarHBondContact O-N 2.92Å; A197-K200 PolarHBondContact O-N 2.79Å; A197-E201 WeakPolarHBondContact O-CB 3.14Å; A197-E201 PolarHBondContact O-N 3.33Å; A197-P217 HydrophobicContact CB-CB 3.94Å; A197-P217 VanDerWaalsContact CB-O 3.27Å; A197-P217 WeakPolarHBondContact CB-O 3.45Å; A197-P217 PolarHBondContact N-O 3.28Å
198L96.4Very high95.4Very high0 Ų037 Ų370%020%0.199CC..Hα-helixtrans-68.8-41.4-179.3-62177.9000111.8I164 R195 V196 K200 E201 V202 F243I164-L198 HydrophobicContact CD1-CB 4.01Å; I164-L198 HydrophobicContact CG1-CB 4.28Å; R195-L198 HydrophobicContact CB-CB 4.44Å; R195-L198 HydrophobicContact CB-CD1 4.04Å; R195-L198 HydrophobicContact CB-CG 4.14Å; R195-L198 PolarHBondContact O-N 3.18Å; V196-L198 VanDerWaalsContact C-N 3.33Å; V196-L198 PolarHBondContact O-N 3.08Å; L198-K200 VanDerWaalsContact C-N 3.33Å; L198-K200 PolarHBondContact O-N 3.28Å; L198-E201 PolarHBondContact O-N 3.03Å; L198-V202 WeakPolarHBondContact O-CG2 3.48Å; L198-V202 PolarHBondContact O-N 2.98Å; L198-F243 HydrophobicContact CB-CZ 4.41Å; L198-F243 HydrophobicContact CD1-CZ 4.38Å; L198-F243 HydrophobicContact CD2-CZ 4.47Å
199A96.8Very high96.4Very high0 Ų036.4 Ų36.40%019%0.19CC..Hα-helixtrans-63.3-40.6177.700000111.7I192 R195 V196 F203 L207 F224I192-A199 HydrophobicContact CG2-CB 4.04Å; R195-A199 PolarHBondContact O-N 3.26Å; V196-A199 PolarHBondContact O-N 3Å; A199-F203 WeakPolarHBondContact O-CB 3.17Å; A199-F203 WeakPolarHBondContact O-CD2 3.28Å; A199-F203 PolarHBondContact O-N 3.24Å; A199-L207 HydrophobicContact CB-CD2 4.06Å; A199-F224 HydrophobicContact CB-CD2 4.27Å
200K95.8Very high96.6Very high77 Ų7735.8 Ų35.834%0.33520%0.2SC..Hα-helixtrans-69.5-39.3176-69.2-170.6-176.6-146.30112.3V196 A197 L198 G204 L207 E209V196-K200 HydrophobicContact CG1-CD 4.09Å; V196-K200 HydrophobicContact CG1-CG 4.35Å; V196-K200 WeakPolarHBondContact O-CG 3.03Å; V196-K200 PolarHBondContact O-N 3.33Å; A197-K200 PolarHBondContact O-N 2.79Å; L198-K200 VanDerWaalsContact C-N 3.33Å; L198-K200 PolarHBondContact O-N 3.28Å; K200-G204 VanDerWaalsContact O-CA 3.26Å; K200-G204 WeakPolarHBondContact O-CA 3.25Å; K200-G204 PolarHBondContact O-N 3.27Å; K200-L207 HydrophobicContact CG-CD2 4.1Å; K200-E209 WeakPolarHBondContact CE-OE1 3.24Å; K200-E209 WeakPolarHBondContact CE-OE2 3.35Å; K200-E209 IonicContact NZ-OE1 2.78Å; K200-E209 PolarHBondContact NZ-OE1 3.41Å; K200-E209 IonicContact NZ-OE2 3.78Å; K200-E209 PolarHBondContact NZ-OE2 2.98Å
201E95.6Very high96.5Very high93 Ų9341.6 Ų41.644%0.43522%0.222SC..Hα-helixtrans-58.2-47.9175.3-175.5-167.9149.700111.6A197 L198 R276A197-E201 WeakPolarHBondContact O-CB 3.14Å; A197-E201 PolarHBondContact O-N 3.33Å; L198-E201 PolarHBondContact O-N 3.03Å; E201-R276 IonicContact OE1-CZ 3.14Å; E201-R276 VanDerWaalsContact OE1-CZ 3.24Å; E201-R276 IonicContact OE1-NH1 3.7Å; E201-R276 PolarHBondContact OE1-NH1 2.95Å; E201-R276 IonicContact OE1-NH2 2.81Å; E201-R276 PolarHBondContact OE1-NH2 3.1Å; E201-R276 IonicContact OE2-CZ 3.61Å; E201-R276 IonicContact OE2-NH2 2.75Å; E201-R276 PolarHBondContact OE2-NH2 3.28Å
202V97.2Very high96.3Very high11 Ų1141.3 Ų41.37%0.06722%0.22CC..Hα-helixtrans-76-47.8-176.8176.30000112I164 L198 M237 L238 C241 F243I164-V202 HydrophobicContact CD1-CB 4.45Å; I164-V202 HydrophobicContact CD1-CG2 3.87Å; L198-V202 WeakPolarHBondContact O-CG2 3.48Å; L198-V202 PolarHBondContact O-N 2.98Å; V202-M237 HydrophobicContact CG1-CB 4.28Å; V202-M237 VanDerWaalsContact O-CE 3.31Å; V202-M237 WeakPolarHBondContact O-CE 3.48Å; V202-L238 HydrophobicContact CG1-CD2 3.83Å; V202-L238 HydrophobicContact CG1-CG 4.01Å; V202-L238 HydrophobicContact CG2-CD2 4.22Å; V202-C241 HydrophobicContact CG2-CB 3.87Å; V202-F243 HydrophobicContact CG2-CD2 4.11Å; V202-F243 HydrophobicContact CG2-CE2 3.6Å; V202-F243 HydrophobicContact CG2-CZ 4.36Å
203F97.4Very high96Very high4 Ų444.9 Ų44.92%0.01824%0.243CC..Hα-helixtrans-100.4-17.4-167-61.4-68000114.2I164 I192 A199 E205 T206 L207 L226 A234 M237 L238I164-F203 HydrophobicContact CG2-CE2 4.27Å; I192-F203 HydrophobicContact CD1-CD2 4.41Å; I192-F203 HydrophobicContact CD1-CE1 4.47Å; I192-F203 HydrophobicContact CD1-CE2 3.72Å; I192-F203 HydrophobicContact CD1-CZ 3.75Å; I192-F203 HydrophobicContact CG1-CD2 4.35Å; I192-F203 HydrophobicContact CG1-CE2 4.11Å; I192-F203 HydrophobicContact CG2-CD2 4.18Å; I192-F203 HydrophobicContact CG2-CE2 3.88Å; A199-F203 WeakPolarHBondContact O-CB 3.17Å; A199-F203 WeakPolarHBondContact O-CD2 3.28Å; A199-F203 PolarHBondContact O-N 3.24Å; F203-E205 PolarHBondContact O-N 3.5Å; F203-T206 WeakPolarHBondContact O-CA 3.44Å; F203-T206 WeakPolarHBondContact O-CB 3.4Å; F203-T206 PolarHBondContact O-N 3.33Å; F203-T206 PolarHBondContact O-OG1 3.47Å; F203-L207 HydrophobicContact CB-CB 3.93Å; F203-L207 HydrophobicContact CB-CD1 4.14Å; F203-L207 HydrophobicContact CB-CG 4.48Å; F203-L207 HydrophobicContact CD2-CD1 4.32Å; F203-L207 HydrophobicContact CG-CD1 4.5Å; F203-L226 HydrophobicContact CB-CD2 3.9Å; F203-L226 HydrophobicContact CD1-CD1 4.13Å; F203-L226 HydrophobicContact CD1-CD2 3.55Å; F203-L226 HydrophobicContact CD2-CD2 4.21Å; F203-L226 HydrophobicContact CE1-CD1 3.97Å; F203-L226 HydrophobicContact CE1-CD2 4.11Å; F203-L226 HydrophobicContact CG-CD2 3.61Å; F203-A234 HydrophobicContact CE1-CB 4.18Å; F203-M237 HydrophobicContact CD1-CE 3.85Å; F203-M237 HydrophobicContact CD1-SD 4.22Å; F203-M237 HydrophobicContact CE1-CB 4.35Å; F203-L238 HydrophobicContact CE1-CG 4.44Å; F203-L238 HydrophobicContact CE2-CD2 4.39Å; F203-L238 HydrophobicContact CZ-CD1 3.94Å; F203-L238 HydrophobicContact CZ-CD2 4.1Å; F203-L238 HydrophobicContact CZ-CG 3.79Å
204G95.1Very high95.5Very high40 Ų4051.3 Ų51.341%0.41228%0.276SS..G310 helixtrans43.7-126.5177.600000113K200 T206 L207K200-G204 VanDerWaalsContact O-CA 3.26Å; K200-G204 WeakPolarHBondContact O-CA 3.25Å; K200-G204 PolarHBondContact O-N 3.27Å; G204-T206 PolarHBondContact O-N 3.25Å; G204-L207 VanDerWaalsContact O-CB 3.3Å; G204-L207 WeakPolarHBondContact O-CB 3.45Å; G204-L207 PolarHBondContact O-N 2.95Å
205E95.8Very high95.1Very high174 Ų17454.2 Ų54.281%0.81328%0.284SS*.G310 helixtrans-66.7-17-179.5-58.8-175.2170.900114.6F203 L207 K227F203-E205 PolarHBondContact O-N 3.5Å; E205-L207 PolarHBondContact O-N 3.43Å; E205-K227 WeakPolarHBondContact O-CD 3.35Å; E205-K227 WeakPolarHBondContact O-CE 3.49Å; E205-K227 PolarHBondContact O-NZ 2.85Å
206T97.4Very high94.8Very high28 Ų2856 Ų5617%0.17230%0.299CS..G310 helixtrans-77.9-13.7178.174.60000112.5F203 G204 L226 K227 F228 M237F203-T206 WeakPolarHBondContact O-CA 3.44Å; F203-T206 WeakPolarHBondContact O-CB 3.4Å; F203-T206 PolarHBondContact O-N 3.33Å; F203-T206 PolarHBondContact O-OG1 3.47Å; G204-T206 PolarHBondContact O-N 3.25Å; T206-L226 WeakPolarHBondContact O-CA 3.44Å; T206-K227 WeakPolarHBondContact O-CG 3.41Å; T206-K227 PolarHBondContact O-N 2.77Å; T206-F228 HydrophobicContact CG2-CD1 4.34Å; T206-F228 HydrophobicContact CG2-CE1 4.08Å; T206-M237 HydrophobicContact CG2-CE 4.36Å
207L97.6Very high94.5Very high8 Ų859 Ų594%0.04232%0.319CS..EExtended strand (participates in β ladder)trans-77139174-16263.3000110.5I192 A199 K200 F203 G204 E205 F224 L226 K227I192-L207 HydrophobicContact CB-CD1 4.22Å; I192-L207 HydrophobicContact CG1-CD1 4.11Å; I192-L207 HydrophobicContact CG2-CD1 4.42Å; A199-L207 HydrophobicContact CB-CD2 4.06Å; K200-L207 HydrophobicContact CG-CD2 4.1Å; F203-L207 HydrophobicContact CB-CB 3.93Å; F203-L207 HydrophobicContact CB-CD1 4.14Å; F203-L207 HydrophobicContact CB-CG 4.48Å; F203-L207 HydrophobicContact CD2-CD1 4.32Å; F203-L207 HydrophobicContact CG-CD1 4.5Å; G204-L207 VanDerWaalsContact O-CB 3.3Å; G204-L207 WeakPolarHBondContact O-CB 3.45Å; G204-L207 PolarHBondContact O-N 2.95Å; E205-L207 PolarHBondContact O-N 3.43Å; L207-F224 HydrophobicContact CD1-CB 3.87Å; L207-F224 HydrophobicContact CD1-CD2 4.14Å; L207-F224 HydrophobicContact CD1-CG 4.33Å; L207-F224 HydrophobicContact CD2-CD2 3.61Å; L207-F224 HydrophobicContact CD2-CE2 3.86Å; L207-F224 HydrophobicContact CD2-CG 4.37Å; L207-F224 HydrophobicContact CG-CB 4.36Å; L207-F224 HydrophobicContact CG-CD2 4.05Å; L207-F224 HydrophobicContact CG-CG 4.35Å; L207-L226 HydrophobicContact CD1-CD2 3.97Å; L207-K227 WeakPolarHBondContact O-CE 3.46Å
208N97.1Very high94.2Very high38 Ų3861.4 Ų61.420%0.20332%0.324CS..EExtended strand (participates in β ladder)trans-113.1116.3173.4-169.1-46.8000110.1S210 Y225 K227N208-S210 WeakPolarHBondContact OD1-CB 3.41Å; N208-S210 PolarHBondContact OD1-N 3.44Å; N208-S210 PolarHBondContact OD1-OG 3.34Å; N208-Y225 WeakPolarHBondContact CA-O 3.32Å; N208-Y225 HydrophobicContact CB-CD1 4.26Å; N208-Y225 HydrophobicContact CB-CD2 3.93Å; N208-Y225 HydrophobicContact CB-CE1 4.01Å; N208-Y225 HydrophobicContact CB-CE2 3.69Å; N208-Y225 HydrophobicContact CB-CG 4.23Å; N208-Y225 VanDerWaalsContact CB-O 3.22Å; N208-Y225 WeakPolarHBondContact CB-O 3.37Å; N208-Y225 VanDerWaalsContact CG-OH 3.27Å; N208-Y225 PolarHBondContact N-O 2.86Å; N208-Y225 PolarHBondContact ND2-OH 2.95Å; N208-Y225 PolarHBondContact O-N 3.12Å; N208-Y225 PolarHBondContact OD1-OH 3.44Å; N208-K227 HydrophobicContact CB-CG 4.18Å
209E96.4Very high94.1Very high53 Ų5369.3 Ų69.325%0.24835%0.354CS..  trans-97.9-0.4-175.1-56-175.5-137.500113.4K200 R211 D212 P213 F224K200-E209 WeakPolarHBondContact CE-OE1 3.24Å; K200-E209 WeakPolarHBondContact CE-OE2 3.35Å; K200-E209 IonicContact NZ-OE1 2.78Å; K200-E209 PolarHBondContact NZ-OE1 3.41Å; K200-E209 IonicContact NZ-OE2 3.78Å; K200-E209 PolarHBondContact NZ-OE2 2.98Å; E209-R211 PolarHBondContact O-N 3.23Å; E209-D212 CarbonylContact O-C 3.55Å; E209-D212 VanDerWaalsContact O-C 3.22Å; E209-D212 PolarHBondContact O-N 3.34Å; E209-P213 VanDerWaalsContact O-N 3.16Å; E209-F224 HydrophobicContact CB-CD1 4.27Å; E209-F224 HydrophobicContact CB-CE1 3.74Å; E209-F224 HydrophobicContact CB-CZ 4.23Å; E209-F224 HydrophobicContact CG-CD1 4.24Å; E209-F224 HydrophobicContact CG-CE1 3.73Å; E209-F224 HydrophobicContact CG-CE2 4.33Å; E209-F224 HydrophobicContact CG-CZ 3.77Å
210S95.6Very high94.1Very high77 Ų7775.8 Ų75.854%0.53838%0.379SS..THydrogen-bonded Turntrans-54.6-21.5-171.956.10000116N208 Y225N208-S210 WeakPolarHBondContact OD1-CB 3.41Å; N208-S210 PolarHBondContact OD1-N 3.44Å; N208-S210 PolarHBondContact OD1-OG 3.34Å; S210-Y225 PolarHBondContact OG-OH 2.95Å
211R93.4Very high94.1Very high123 Ų12372.4 Ų72.446%0.46437%0.365SS..THydrogen-bonded Turntrans-89.8-12.4179.3-76.3-177.8168.4-166.7-5.2113.9R189 E209 R223 Y225R189-R211 VanDerWaalsContact NH1-CZ 3.34Å; E209-R211 PolarHBondContact O-N 3.23Å; R211-R223 HydrophobicContact CB-CB 4.3Å; R211-R223 PolarHBondContact O-NE 3.39Å; R211-R223 PolarHBondContact O-NH1 2.89Å; R211-R223 PolarHBondContact O-NH2 2.84Å; R211-Y225 HydrophobicContact CG-CE1 4Å
212D93.1Very high94.1Very high30 Ų3071.6 Ų71.616%0.1637%0.37CS..SBendtrans-156.759.4-177.2-161.328.5000110.4E209 R215 T221 R223 F224E209-D212 CarbonylContact O-C 3.55Å; E209-D212 VanDerWaalsContact O-C 3.22Å; E209-D212 PolarHBondContact O-N 3.34Å; D212-R215 IonicContact OD1-NE 3.7Å; D212-R215 WeakPolarHBondContact OD2-CD 3.41Å; D212-R215 IonicContact OD2-CZ 3.51Å; D212-R215 IonicContact OD2-NE 2.72Å; D212-R215 PolarHBondContact OD2-NE 2.86Å; D212-R215 IonicContact OD2-NH2 3.93Å; D212-T221 WeakPolarHBondContact OD2-CB 3.4Å; D212-T221 PolarHBondContact OD2-OG1 3.04Å; D212-R223 HydrophobicContact CB-CB 3.76Å; D212-R223 HydrophobicContact CB-CG 4.49Å; D212-F224 HydrophobicContact CB-CD1 4.43Å; D212-F224 HydrophobicContact CB-CE1 4.17Å; D212-F224 WeakPolarHBondContact O-CE1 3.36Å
213P91.8Very high94.1Very high75 Ų7577.6 Ų77.649%0.48739%0.391SS..  trans-68165.6-177.631.1-36.3000112.2E209 R215E209-P213 VanDerWaalsContact O-N 3.16Å; P213-R215 PolarHBondContact O-N 3.38Å
214D88.1Confident94.1Very high159 Ų15977.4 Ų77.485%0.8539%0.39SS*.SBendtrans6125.6169.5-50.1-44.2000115.8
215R89.1Confident94.2Very high72 Ų7277.1 Ų77.127%0.27238%0.377SS..  trans-82.7132.4-179.7-146.5178.3-150-93.310.9111.6V196 D212 P213 R219 Y220V196-R215 HydrophobicContact CG2-CB 4.09Å; V196-R215 HydrophobicContact CG2-CG 4.05Å; D212-R215 IonicContact OD1-NE 3.7Å; D212-R215 WeakPolarHBondContact OD2-CD 3.41Å; D212-R215 IonicContact OD2-CZ 3.51Å; D212-R215 IonicContact OD2-NE 2.72Å; D212-R215 PolarHBondContact OD2-NE 2.86Å; D212-R215 IonicContact OD2-NH2 3.93Å; P213-R215 PolarHBondContact O-N 3.38Å; R215-R219 HydrophobicContact CG-CB 4.44Å; R215-Y220 VanDerWaalsContact CZ-C 3.45Å; R215-Y220 PolarHBondContact NH1-O 3.24Å; R215-Y220 PolarHBondContact NH2-O 2.64Å
216T90.3Very high94.3Very high77 Ų7769.1 Ų69.147%0.47234%0.34SS..  trans-64.7145179.766.10000111.9E218 R219T216-E218 PolarHBondContact O-N 3.36Å; T216-E218 VanDerWaalsContact O-N 3.14Å; T216-R219 PolarHBondContact O-N 2.85Å; T216-R219 VanDerWaalsContact O-N 3.1Å; T216-R219 WeakPolarHBondContact OG1-CG 3.37Å
217P89.8Confident94.3Very high64 Ų6474.3 Ų74.342%0.41636%0.36SS..THydrogen-bonded Turntrans-57.6-29.9-174.1-26.335.4000114.8A197 R219A197-P217 HydrophobicContact CB-CB 3.94Å; A197-P217 VanDerWaalsContact CB-O 3.27Å; A197-P217 WeakPolarHBondContact CB-O 3.45Å; A197-P217 PolarHBondContact N-O 3.28Å; P217-R219 VanDerWaalsContact C-N 3.33Å; P217-R219 PolarHBondContact O-N 2.86Å
218E88.3Confident94.2Very high87 Ų8775 Ų7541%0.40736%0.363SS..THydrogen-bonded Turntrans-76.6-16.4-178.5-66.174.5-163.100113.9R159 T216R159-E218 IonicContact CZ-OE1 3.7Å; R159-E218 IonicContact NH1-OE1 2.7Å; R159-E218 PolarHBondContact NH1-OE1 3.02Å; R159-E218 VanDerWaalsContact NH2-CD 3.35Å; R159-E218 IonicContact NH2-OE1 2.92Å; R159-E218 PolarHBondContact NH2-OE1 2.97Å; T216-E218 PolarHBondContact O-N 3.36Å; T216-E218 VanDerWaalsContact O-N 3.14Å
219R94.3Very high94Very high165 Ų16579.3 Ų79.362%0.62338%0.38SS*.SBendtrans-87.1162.3-173.6-60.7-78.4-91.8-164.9-6111.3V196 R215 T216 P217V196-R219 VanDerWaalsContact CG2-O 3.26Å; V196-R219 WeakPolarHBondContact CG2-O 3.48Å; V196-R219 PolarHBondContact N-O 2.84Å; R215-R219 HydrophobicContact CG-CB 4.44Å; T216-R219 PolarHBondContact O-N 2.85Å; T216-R219 VanDerWaalsContact O-N 3.1Å; T216-R219 WeakPolarHBondContact OG1-CG 3.37Å; P217-R219 VanDerWaalsContact C-N 3.33Å; P217-R219 PolarHBondContact O-N 2.86Å
220Y96.5Very high93.9Very high136 Ų13682.8 Ų82.853%0.53340%0.396SS..EExtended strand (participates in β ladder)trans-105.5123.3-179-74.8-96.9000114G194 R195 R215G194-Y220 CarbonylContact O-C 3.22Å; G194-Y220 VanDerWaalsContact O-CA 3.29Å; G194-Y220 WeakPolarHBondContact O-CA 3.49Å; R195-Y220 HydrophobicContact CB-CD1 4.19Å; R195-Y220 HydrophobicContact CB-CE1 3.9Å; R195-Y220 PolarHBondContact NE-OH 2.72Å; R195-Y220 PolarHBondContact NH2-OH 2.98Å; R195-Y220 VanDerWaalsContact NH2-OH 3.11Å; R215-Y220 VanDerWaalsContact CZ-C 3.45Å; R215-Y220 PolarHBondContact NH1-O 3.24Å; R215-Y220 PolarHBondContact NH2-O 2.64Å
221T96.6Very high93.8Very high6 Ų679.2 Ų79.24%0.03737%0.371CS..EExtended strand (participates in β ladder)trans-110.6160178.4-173.50000112.2C193 G194 V196 D212 R223 F224C193-T221 CarbonylContact C-O 3.48Å; C193-T221 VanDerWaalsContact CA-O 3.25Å; C193-T221 WeakPolarHBondContact CA-O 3.46Å; G194-T221 PolarHBondContact N-O 3.5Å; G194-T221 PolarHBondContact O-N 2.82Å; V196-T221 HydrophobicContact CG2-CG2 4.03Å; D212-T221 WeakPolarHBondContact OD2-CB 3.4Å; D212-T221 PolarHBondContact OD2-OG1 3.04Å; T221-R223 PolarHBondContact OG1-N 2.87Å; T221-F224 HydrophobicContact CG2-CB 4.49Å; T221-F224 HydrophobicContact CG2-CD1 4.11Å; T221-F224 HydrophobicContact CG2-CD2 3.44Å; T221-F224 VanDerWaalsContact CG2-CD2 3.44Å; T221-F224 HydrophobicContact CG2-CE1 4.22Å; T221-F224 HydrophobicContact CG2-CE2 3.59Å; T221-F224 HydrophobicContact CG2-CG 3.74Å; T221-F224 HydrophobicContact CG2-CZ 3.99Å
222S96.6Very high93.8Very high76 Ų7678.7 Ų78.753%0.53137%0.374SS..EExtended strand (participates in β ladder)trans-129.715.1171.758.40000112.6C193C193-S222 VanDerWaalsContact SG-CA 3.57Å
223R96.1Very high94Very high137 Ų13783 Ų8352%0.51739%0.387SS..EExtended strand (participates in β ladder)trans-117.2-7-167.2-62.3-17373-177.90.7114.1R211 D212 T221R211-R223 HydrophobicContact CB-CB 4.3Å; R211-R223 PolarHBondContact O-NE 3.39Å; R211-R223 PolarHBondContact O-NH1 2.89Å; R211-R223 PolarHBondContact O-NH2 2.84Å; D212-R223 HydrophobicContact CB-CB 3.76Å; D212-R223 HydrophobicContact CB-CG 4.49Å; T221-R223 PolarHBondContact OG1-N 2.87Å
224F97.9Very high94.2Very high0 Ų079.4 Ų79.40%036%0.364CS..EExtended strand (participates in β ladder)trans-70.8155.8175.3-69.1-12.4000111.6L191 I192 V196 A199 L207 E209 D212 T221L191-F224 WeakPolarHBondContact CA-O 3.39Å; I192-F224 HydrophobicContact CB-CB 4.22Å; I192-F224 PolarHBondContact N-O 3.3Å; V196-F224 HydrophobicContact CG1-CE2 4.28Å; V196-F224 HydrophobicContact CG1-CZ 4.42Å; V196-F224 HydrophobicContact CG2-CE2 4.28Å; V196-F224 HydrophobicContact CG2-CZ 4.38Å; A199-F224 HydrophobicContact CB-CD2 4.27Å; L207-F224 HydrophobicContact CD1-CB 3.87Å; L207-F224 HydrophobicContact CD1-CD2 4.14Å; L207-F224 HydrophobicContact CD1-CG 4.33Å; L207-F224 HydrophobicContact CD2-CD2 3.61Å; L207-F224 HydrophobicContact CD2-CE2 3.86Å; L207-F224 HydrophobicContact CD2-CG 4.37Å; L207-F224 HydrophobicContact CG-CB 4.36Å; L207-F224 HydrophobicContact CG-CD2 4.05Å; L207-F224 HydrophobicContact CG-CG 4.35Å; E209-F224 HydrophobicContact CB-CD1 4.27Å; E209-F224 HydrophobicContact CB-CE1 3.74Å; E209-F224 HydrophobicContact CB-CZ 4.23Å; E209-F224 HydrophobicContact CG-CD1 4.24Å; E209-F224 HydrophobicContact CG-CE1 3.73Å; E209-F224 HydrophobicContact CG-CE2 4.33Å; E209-F224 HydrophobicContact CG-CZ 3.77Å; D212-F224 HydrophobicContact CB-CD1 4.43Å; D212-F224 HydrophobicContact CB-CE1 4.17Å; D212-F224 WeakPolarHBondContact O-CE1 3.36Å; T221-F224 HydrophobicContact CG2-CB 4.49Å; T221-F224 HydrophobicContact CG2-CD1 4.11Å; T221-F224 HydrophobicContact CG2-CD2 3.44Å; T221-F224 VanDerWaalsContact CG2-CD2 3.44Å; T221-F224 HydrophobicContact CG2-CE1 4.22Å; T221-F224 HydrophobicContact CG2-CE2 3.59Å; T221-F224 HydrophobicContact CG2-CG 3.74Å; T221-F224 HydrophobicContact CG2-CZ 3.99Å
225Y97.8Very high94.7Very high34 Ų3473.7 Ų73.713%0.13333%0.332CS..EExtended strand (participates in β ladder)trans-149.1156174.961.9-81.4000111.2R189 I190 N208 S210 R211R189-Y225 HydrophobicContact CG-CD2 3.86Å; R189-Y225 HydrophobicContact CG-CG 4.05Å; I190-Y225 CarbonylContact O-C 3.51Å; I190-Y225 WeakPolarHBondContact O-CA 3.3Å; I190-Y225 WeakPolarHBondContact O-CB 3.44Å; N208-Y225 WeakPolarHBondContact CA-O 3.32Å; N208-Y225 HydrophobicContact CB-CD1 4.26Å; N208-Y225 HydrophobicContact CB-CD2 3.93Å; N208-Y225 HydrophobicContact CB-CE1 4.01Å; N208-Y225 HydrophobicContact CB-CE2 3.69Å; N208-Y225 HydrophobicContact CB-CG 4.23Å; N208-Y225 VanDerWaalsContact CB-O 3.22Å; N208-Y225 WeakPolarHBondContact CB-O 3.37Å; N208-Y225 VanDerWaalsContact CG-OH 3.27Å; N208-Y225 PolarHBondContact N-O 2.86Å; N208-Y225 PolarHBondContact ND2-OH 2.95Å; N208-Y225 PolarHBondContact O-N 3.12Å; N208-Y225 PolarHBondContact OD1-OH 3.44Å; S210-Y225 PolarHBondContact OG-OH 2.95Å; R211-Y225 HydrophobicContact CG-CE1 4Å
226L97.9Very high95.1Very high6 Ų674.7 Ų74.73%0.03134%0.342CS..EExtended strand (participates in β ladder)trans-84.7147.8179.9-57.6179.3000111.7I190 I192 F203 T206 L207 F228 A234I190-L226 HydrophobicContact CB-CB 4.26Å; I190-L226 HydrophobicContact CB-CD1 4.13Å; I190-L226 HydrophobicContact CB-CG 4.29Å; I190-L226 HydrophobicContact CD1-CD1 4.28Å; I190-L226 HydrophobicContact CG2-CD1 3.8Å; I190-L226 HydrophobicContact CG2-CG 4.21Å; I190-L226 PolarHBondContact O-N 3.3Å; I192-L226 HydrophobicContact CD1-CD1 4.04Å; I192-L226 HydrophobicContact CD1-CD2 4.21Å; I192-L226 HydrophobicContact CD1-CG 4Å; I192-L226 HydrophobicContact CG1-CD1 4.41Å; I192-L226 HydrophobicContact CG1-CD2 3.79Å; I192-L226 HydrophobicContact CG1-CG 3.82Å; F203-L226 HydrophobicContact CB-CD2 3.9Å; F203-L226 HydrophobicContact CD1-CD1 4.13Å; F203-L226 HydrophobicContact CD1-CD2 3.55Å; F203-L226 HydrophobicContact CD2-CD2 4.21Å; F203-L226 HydrophobicContact CE1-CD1 3.97Å; F203-L226 HydrophobicContact CE1-CD2 4.11Å; F203-L226 HydrophobicContact CG-CD2 3.61Å; T206-L226 WeakPolarHBondContact O-CA 3.44Å; L207-L226 HydrophobicContact CD1-CD2 3.97Å; L226-F228 VanDerWaalsContact C-N 3.26Å; L226-F228 HydrophobicContact CB-CD1 4.43Å; L226-F228 HydrophobicContact CB-CE1 4.36Å; L226-F228 HydrophobicContact CB-CZ 4.46Å; L226-F228 HydrophobicContact CD1-CE1 4.15Å; L226-F228 HydrophobicContact CD1-CE2 3.76Å; L226-F228 HydrophobicContact CD1-CZ 3.55Å; L226-F228 HydrophobicContact CG-CZ 4.47Å; L226-F228 PolarHBondContact O-N 2.98Å; L226-A234 HydrophobicContact CD1-CB 3.57Å
227K96.4Very high95.5Very high138 Ų13872.6 Ų72.660%0.633%0.328SS*.SBendtrans-70.9-21.5175.3-66.5177.4-175.5170.90112.5E205 T206 L207 N208E205-K227 WeakPolarHBondContact O-CD 3.35Å; E205-K227 WeakPolarHBondContact O-CE 3.49Å; E205-K227 PolarHBondContact O-NZ 2.85Å; T206-K227 WeakPolarHBondContact O-CG 3.41Å; T206-K227 PolarHBondContact O-N 2.77Å; L207-K227 WeakPolarHBondContact O-CE 3.46Å; N208-K227 HydrophobicContact CB-CG 4.18Å
228F95.3Very high95.8Very high21 Ų2169.6 Ų69.69%0.09231%0.308CS..SBendtrans-105.2171.7174.863.4-98.8000112.2I190 T206 L226 H230 R233 A234 M237I190-F228 HydrophobicContact CD1-CD2 4.35Å; I190-F228 HydrophobicContact CD1-CE2 4.31Å; T206-F228 HydrophobicContact CG2-CD1 4.34Å; T206-F228 HydrophobicContact CG2-CE1 4.08Å; L226-F228 VanDerWaalsContact C-N 3.26Å; L226-F228 HydrophobicContact CB-CD1 4.43Å; L226-F228 HydrophobicContact CB-CE1 4.36Å; L226-F228 HydrophobicContact CB-CZ 4.46Å; L226-F228 HydrophobicContact CD1-CE1 4.15Å; L226-F228 HydrophobicContact CD1-CE2 3.76Å; L226-F228 HydrophobicContact CD1-CZ 3.55Å; L226-F228 HydrophobicContact CG-CZ 4.47Å; L226-F228 PolarHBondContact O-N 2.98Å; F228-H230 VanDerWaalsContact CE2-O 3.32Å; F228-H230 WeakPolarHBondContact CE2-O 3.48Å; F228-R233 HydrophobicContact CD2-CB 4.33Å; F228-R233 HydrophobicContact CD2-CG 4.31Å; F228-R233 HydrophobicContact CE1-CG 4.45Å; F228-R233 HydrophobicContact CE2-CB 3.82Å; F228-R233 HydrophobicContact CE2-CG 3.77Å; F228-R233 HydrophobicContact CZ-CB 4.35Å; F228-R233 HydrophobicContact CZ-CG 3.83Å; F228-A234 HydrophobicContact CE2-CB 4.02Å; F228-A234 HydrophobicContact CZ-CB 4.2Å; F228-M237 HydrophobicContact CE1-SD 3.85Å; F228-M237 HydrophobicContact CZ-SD 3.69Å
229K93.6Very high96.2Very high129 Ų12969.2 Ų69.256%0.56132%0.315SS*.  trans-122.8-4.9-170.6-64.2179.2-175.91730115.8V187 P188V187-K229 WeakPolarHBondContact CB-O 3.43Å; P188-K229 WeakPolarHBondContact O-CE 3.33Å
230H93.1Very high96.2Very high126 Ų12669 Ų6958%0.58332%0.321SS*.  trans-80.7121.5176.9-55.6103.9000109.7I190 F228 R233I190-H230 WeakPolarHBondContact CD1-O 2.99Å; F228-H230 VanDerWaalsContact CE2-O 3.32Å; F228-H230 WeakPolarHBondContact CE2-O 3.48Å; H230-R233 HydrophobicContact CB-CB 4.12Å
231L93.9Very high96.1Very high2 Ų264.3 Ų64.31%0.0131%0.308CS..Hα-helixtrans-71.4-40.3-176.7-83.4169.4000111.2V166 Y168 V187 I190 R233 A234 F235 Y272V166-L231 HydrophobicContact CG1-CD2 4.09Å; Y168-L231 HydrophobicContact CD1-CD1 3.77Å; Y168-L231 HydrophobicContact CD1-CD2 4.29Å; Y168-L231 HydrophobicContact CE1-CD1 3.79Å; V187-L231 HydrophobicContact CG1-CG 4.24Å; V187-L231 HydrophobicContact CG2-CD1 3.65Å; V187-L231 HydrophobicContact CG2-CG 3.96Å; I190-L231 HydrophobicContact CD1-CD2 4Å; I190-L231 HydrophobicContact CD1-CG 4.31Å; I190-L231 HydrophobicContact CG1-CD2 3.91Å; I190-L231 HydrophobicContact CG1-CG 4.46Å; I190-L231 HydrophobicContact CG2-CD2 4.23Å; L231-R233 VanDerWaalsContact C-N 3.28Å; L231-R233 PolarHBondContact O-N 3.22Å; L231-A234 WeakPolarHBondContact O-CA 3.2Å; L231-A234 WeakPolarHBondContact O-CB 3.42Å; L231-A234 PolarHBondContact O-N 3.3Å; L231-F235 HydrophobicContact CB-CE2 4.11Å; L231-F235 HydrophobicContact CB-CZ 4.02Å; L231-F235 HydrophobicContact CD2-CE1 4.39Å; L231-F235 HydrophobicContact CD2-CZ 4.26Å; L231-F235 WeakPolarHBondContact O-CD1 3.47Å; L231-F235 VanDerWaalsContact O-CG 3.32Å; L231-F235 WeakPolarHBondContact O-CG 3.34Å; L231-F235 PolarHBondContact O-N 3.18Å; L231-Y272 HydrophobicContact CD1-CE2 4.25Å; L231-Y272 HydrophobicContact CD2-CE2 4.45Å
232E94.4Very high96Very high113 Ų11366.2 Ų66.253%0.52833%0.329SS..Hα-helixtrans-57.4-45.1-178.9-60.374.6-164.700109.7A234 F235 D236E232-A234 VanDerWaalsContact C-N 3.28Å; E232-A234 PolarHBondContact O-N 3.25Å; E232-F235 CarbonylContact O-C 3.56Å; E232-F235 WeakPolarHBondContact O-CA 3.46Å; E232-F235 WeakPolarHBondContact O-CB 3.25Å; E232-F235 PolarHBondContact O-N 2.83Å; E232-D236 PolarHBondContact O-N 2.86Å
233R96.1Very high96.1Very high120 Ų12062.8 Ų62.845%0.45330%0.304SS..Hα-helixtrans-57-39172.9-178.8178.5175.1-178.10.1113F228 H230 L231 F235 M237F228-R233 HydrophobicContact CD2-CB 4.33Å; F228-R233 HydrophobicContact CD2-CG 4.31Å; F228-R233 HydrophobicContact CE1-CG 4.45Å; F228-R233 HydrophobicContact CE2-CB 3.82Å; F228-R233 HydrophobicContact CE2-CG 3.77Å; F228-R233 HydrophobicContact CZ-CB 4.35Å; F228-R233 HydrophobicContact CZ-CG 3.83Å; H230-R233 HydrophobicContact CB-CB 4.12Å; L231-R233 VanDerWaalsContact C-N 3.28Å; L231-R233 PolarHBondContact O-N 3.22Å; R233-F235 VanDerWaalsContact C-N 3.33Å; R233-M237 HydrophobicContact CG-SD 4.37Å; R233-M237 VanDerWaalsContact O-CG 3.22Å; R233-M237 WeakPolarHBondContact O-CG 3.37Å; R233-M237 PolarHBondContact O-N 2.96Å; R233-M237 VanDerWaalsContact O-N 3.16Å
234A97.3Very high96.1Very high0 Ų063.1 Ų63.10%031%0.312CS..Hα-helixtrans-70.2-33.9177.100000111.6F203 L226 F228 L231 E232 L238F203-A234 HydrophobicContact CE1-CB 4.18Å; L226-A234 HydrophobicContact CD1-CB 3.57Å; F228-A234 HydrophobicContact CE2-CB 4.02Å; F228-A234 HydrophobicContact CZ-CB 4.2Å; L231-A234 WeakPolarHBondContact O-CA 3.2Å; L231-A234 WeakPolarHBondContact O-CB 3.42Å; L231-A234 PolarHBondContact O-N 3.3Å; E232-A234 VanDerWaalsContact C-N 3.28Å; E232-A234 PolarHBondContact O-N 3.25Å; A234-L238 WeakPolarHBondContact O-CD1 3.35Å; A234-L238 WeakPolarHBondContact O-CG 3.49Å; A234-L238 PolarHBondContact O-N 3.04Å; A234-L238 VanDerWaalsContact O-N 3.16Å
235F97.8Very high96.1Very high38 Ų3867.5 Ų67.517%0.16733%0.333CS..Hα-helixtrans-69.4-42175.8-56.3-22.1000111.7V166 L231 E232 R233 L238 S239 M245 Y272 F274V166-F235 HydrophobicContact CB-CE1 4.39Å; V166-F235 HydrophobicContact CG1-CE1 4.22Å; L231-F235 HydrophobicContact CB-CE2 4.11Å; L231-F235 HydrophobicContact CB-CZ 4.02Å; L231-F235 HydrophobicContact CD2-CE1 4.39Å; L231-F235 HydrophobicContact CD2-CZ 4.26Å; L231-F235 WeakPolarHBondContact O-CD1 3.47Å; L231-F235 VanDerWaalsContact O-CG 3.32Å; L231-F235 WeakPolarHBondContact O-CG 3.34Å; L231-F235 PolarHBondContact O-N 3.18Å; E232-F235 CarbonylContact O-C 3.56Å; E232-F235 WeakPolarHBondContact O-CA 3.46Å; E232-F235 WeakPolarHBondContact O-CB 3.25Å; E232-F235 PolarHBondContact O-N 2.83Å; R233-F235 VanDerWaalsContact C-N 3.33Å; F235-L238 PolarHBondContact O-N 3.31Å; F235-S239 WeakPolarHBondContact O-CB 3.29Å; F235-S239 PolarHBondContact O-N 2.9Å; F235-M245 HydrophobicContact CD1-CE 4.49Å; F235-M245 HydrophobicContact CD2-CE 4.32Å; F235-M245 HydrophobicContact CE1-CE 4.36Å; F235-M245 HydrophobicContact CE2-CE 4.19Å; F235-M245 HydrophobicContact CG-CE 4.47Å; F235-M245 HydrophobicContact CZ-CE 4.21Å; F235-Y272 AromaticContact CE1-CD2 3.91Å; F235-Y272 HydrophobicContact CE1-CD2 3.91Å; F235-Y272 HydrophobicContact CE1-CE2 4.44Å; F235-Y272 HydrophobicContact CE1-CG 4.05Å; F235-Y272 HydrophobicContact CZ-CD1 4.14Å; F235-Y272 AromaticContact CZ-CD2 3.64Å; F235-Y272 HydrophobicContact CZ-CD2 3.64Å; F235-Y272 HydrophobicContact CZ-CE1 4.25Å; F235-Y272 AromaticContact CZ-CE2 3.76Å; F235-Y272 HydrophobicContact CZ-CE2 3.76Å; F235-Y272 AromaticContact CZ-CG 3.82Å; F235-Y272 HydrophobicContact CZ-CG 3.82Å; F235-F274 HydrophobicContact CB-CZ 4.19Å; F235-F274 HydrophobicContact CD1-CE1 4.48Å; F235-F274 AromaticContact CD1-CE2 3.71Å; F235-F274 HydrophobicContact CD1-CE2 3.71Å; F235-F274 AromaticContact CD1-CZ 3.36Å; F235-F274 HydrophobicContact CD1-CZ 3.36Å; F235-F274 AromaticContact CE1-CE2 3.85Å; F235-F274 HydrophobicContact CE1-CE2 3.85Å; F235-F274 AromaticContact CE1-CZ 3.89Å; F235-F274 HydrophobicContact CE1-CZ 3.89Å; F235-F274 AromaticContact CG-CZ 3.91Å; F235-F274 HydrophobicContact CG-CZ 3.91Å
236D97.1Very high96.1Very high93 Ų9369.7 Ų69.750%0.49735%0.35SS..Hα-helixtrans-59.5-48.7175.9-61.8-27000110.3E232 L238 S239 E240E232-D236 PolarHBondContact O-N 2.86Å; D236-L238 VanDerWaalsContact C-N 3.3Å; D236-L238 PolarHBondContact O-N 2.88Å; D236-S239 PolarHBondContact O-N 3.15Å; D236-S239 VanDerWaalsContact O-N 3.12Å; D236-E240 WeakPolarHBondContact O-CG 3.24Å; D236-E240 PolarHBondContact O-N 2.93Å
237M97.9Very high96Very high34 Ų3471.8 Ų71.817%0.16737%0.368CS..Hα-helixtrans-58.2-39.8176.4-69.4175.670.400112.7V202 F203 T206 F228 R233 C241V202-M237 HydrophobicContact CG1-CB 4.28Å; V202-M237 VanDerWaalsContact O-CE 3.31Å; V202-M237 WeakPolarHBondContact O-CE 3.48Å; F203-M237 HydrophobicContact CD1-CE 3.85Å; F203-M237 HydrophobicContact CD1-SD 4.22Å; F203-M237 HydrophobicContact CE1-CB 4.35Å; T206-M237 HydrophobicContact CG2-CE 4.36Å; F228-M237 HydrophobicContact CE1-SD 3.85Å; F228-M237 HydrophobicContact CZ-SD 3.69Å; R233-M237 HydrophobicContact CG-SD 4.37Å; R233-M237 VanDerWaalsContact O-CG 3.22Å; R233-M237 WeakPolarHBondContact O-CG 3.37Å; R233-M237 PolarHBondContact O-N 2.96Å; R233-M237 VanDerWaalsContact O-N 3.16Å; M237-C241 PolarHBondContact O-N 2.78Å; M237-C241 PolarHBondContact O-SG 2.98Å; M237-C241 VanDerWaalsContact O-SG 3.35Å
238L97.6Very high96Very high0 Ų069.5 Ų69.50%037%0.369CS..Hα-helixtrans-67.3-43.8175.7-80.3162.7000111.8I164 V166 V202 F203 A234 F235 D236 C241 G242 F243 F274I164-L238 HydrophobicContact CB-CD2 4.09Å; I164-L238 HydrophobicContact CD1-CD2 3.74Å; I164-L238 HydrophobicContact CG1-CD2 4.49Å; I164-L238 HydrophobicContact CG2-CD2 4.01Å; V166-L238 HydrophobicContact CG2-CD1 3.48Å; V166-L238 VanDerWaalsContact CG2-CD1 3.48Å; V202-L238 HydrophobicContact CG1-CD2 3.83Å; V202-L238 HydrophobicContact CG1-CG 4.01Å; V202-L238 HydrophobicContact CG2-CD2 4.22Å; F203-L238 HydrophobicContact CE1-CG 4.44Å; F203-L238 HydrophobicContact CE2-CD2 4.39Å; F203-L238 HydrophobicContact CZ-CD1 3.94Å; F203-L238 HydrophobicContact CZ-CD2 4.1Å; F203-L238 HydrophobicContact CZ-CG 3.79Å; A234-L238 WeakPolarHBondContact O-CD1 3.35Å; A234-L238 WeakPolarHBondContact O-CG 3.49Å; A234-L238 PolarHBondContact O-N 3.04Å; A234-L238 VanDerWaalsContact O-N 3.16Å; F235-L238 PolarHBondContact O-N 3.31Å; D236-L238 VanDerWaalsContact C-N 3.3Å; D236-L238 PolarHBondContact O-N 2.88Å; L238-C241 CarbonylContact O-C 3.55Å; L238-C241 PolarHBondContact O-N 2.78Å; L238-G242 PolarHBondContact O-N 3.42Å; L238-F243 HydrophobicContact CB-CB 4.08Å; L238-F243 HydrophobicContact CD2-CB 4.11Å; L238-F243 HydrophobicContact CD2-CD1 4.27Å; L238-F243 HydrophobicContact CD2-CD2 3.98Å; L238-F243 HydrophobicContact CD2-CE2 4.5Å; L238-F243 HydrophobicContact CD2-CG 3.86Å; L238-F243 WeakPolarHBondContact O-CB 3.35Å; L238-F243 PolarHBondContact O-N 2.81Å; L238-F274 HydrophobicContact CB-CD1 4.06Å; L238-F274 HydrophobicContact CB-CE1 4.21Å; L238-F274 HydrophobicContact CD1-CB 4.41Å; L238-F274 HydrophobicContact CD1-CD1 4.04Å; L238-F274 HydrophobicContact CD1-CD2 3.69Å; L238-F274 HydrophobicContact CD1-CE1 4.17Å; L238-F274 HydrophobicContact CD1-CE2 3.83Å; L238-F274 HydrophobicContact CD1-CG 3.79Å; L238-F274 HydrophobicContact CD1-CZ 4.07Å
239S95.7Very high95.9Very high80 Ų8072.5 Ų72.556%0.55939%0.386SS*.Hα-helixtrans-63.6-43.3179.5-173.10000111.9F235 D236 C241 G242F235-S239 WeakPolarHBondContact O-CB 3.29Å; F235-S239 PolarHBondContact O-N 2.9Å; D236-S239 PolarHBondContact O-N 3.15Å; D236-S239 VanDerWaalsContact O-N 3.12Å; S239-C241 PolarHBondContact O-N 3.49Å; S239-G242 PolarHBondContact O-N 2.81Å
240E94.9Very high95.8Very high159 Ų15969.8 Ų69.874%0.74338%0.383SS*.Hα-helixtrans-59-33.5174.2-73.5173.8-172.900111.8D236 G242D236-E240 WeakPolarHBondContact O-CG 3.24Å; D236-E240 PolarHBondContact O-N 2.93Å; E240-G242 VanDerWaalsContact C-N 3.28Å; E240-G242 PolarHBondContact O-N 2.95Å
241C94.6Very high95.6Very high39 Ų3966 Ų6626%0.26437%0.371SS..THydrogen-bonded Turntrans-84.26.9175-65.70000114.2V202 M237 L238 S239 F243 R276V202-C241 HydrophobicContact CG2-CB 3.87Å; M237-C241 PolarHBondContact O-N 2.78Å; M237-C241 PolarHBondContact O-SG 2.98Å; M237-C241 VanDerWaalsContact O-SG 3.35Å; L238-C241 CarbonylContact O-C 3.55Å; L238-C241 PolarHBondContact O-N 2.78Å; S239-C241 PolarHBondContact O-N 3.49Å; C241-F243 HydrophobicContact CB-CD2 4.06Å; C241-F243 HydrophobicContact CB-CE2 4.33Å; C241-R276 WeakPolarHBondContact O-CD 3.49Å; C241-R276 PolarHBondContact O-NH1 2.94Å
242G95.1Very high95.4Very high45 Ų4570.1 Ų70.146%0.46440%0.396SS..THydrogen-bonded Turntrans82.516.4176.300000115.1L238 S239 E240 R276L238-G242 PolarHBondContact O-N 3.42Å; S239-G242 PolarHBondContact O-N 2.81Å; E240-G242 VanDerWaalsContact C-N 3.28Å; E240-G242 PolarHBondContact O-N 2.95Å; G242-R276 WeakPolarHBondContact O-CG 3.45Å
243F97.2Very high94.8Very high5 Ų568 Ų682%0.02239%0.391CS..  trans-84.7138.7172.3-73.7-100.2000111.3G162 I164 L198 V202 L238 C241 F274 Y275 R276G162-F243 WeakPolarHBondContact O-CE1 3.22Å; I164-F243 HydrophobicContact CB-CE1 4.24Å; I164-F243 HydrophobicContact CD1-CE1 3.82Å; I164-F243 HydrophobicContact CD1-CE2 4.1Å; I164-F243 HydrophobicContact CD1-CZ 3.59Å; I164-F243 HydrophobicContact CG1-CE1 3.8Å; I164-F243 HydrophobicContact CG1-CZ 4.04Å; L198-F243 HydrophobicContact CB-CZ 4.41Å; L198-F243 HydrophobicContact CD1-CZ 4.38Å; L198-F243 HydrophobicContact CD2-CZ 4.47Å; V202-F243 HydrophobicContact CG2-CD2 4.11Å; V202-F243 HydrophobicContact CG2-CE2 3.6Å; V202-F243 HydrophobicContact CG2-CZ 4.36Å; L238-F243 HydrophobicContact CB-CB 4.08Å; L238-F243 HydrophobicContact CD2-CB 4.11Å; L238-F243 HydrophobicContact CD2-CD1 4.27Å; L238-F243 HydrophobicContact CD2-CD2 3.98Å; L238-F243 HydrophobicContact CD2-CE2 4.5Å; L238-F243 HydrophobicContact CD2-CG 3.86Å; L238-F243 WeakPolarHBondContact O-CB 3.35Å; L238-F243 PolarHBondContact O-N 2.81Å; C241-F243 HydrophobicContact CB-CD2 4.06Å; C241-F243 HydrophobicContact CB-CE2 4.33Å; F243-F274 HydrophobicContact CB-CB 4.1Å; F243-F274 HydrophobicContact CB-CD1 4.22Å; F243-F274 HydrophobicContact CD1-CB 4.09Å; F243-Y275 WeakPolarHBondContact CA-O 3.42Å; F243-R276 HydrophobicContact CD1-CB 3.63Å; F243-R276 HydrophobicContact CD2-CB 3.95Å; F243-R276 HydrophobicContact CE1-CB 3.62Å; F243-R276 HydrophobicContact CE2-CB 3.94Å; F243-R276 HydrophobicContact CG-CB 3.79Å; F243-R276 HydrophobicContact CZ-CB 3.77Å
244Q96.9Very high94.1Very high144 Ų14464.6 Ų64.667%0.67339%0.388SS*.EExtended strand (participates in β ladder)trans-110.7139174.1-64.9179.9-10.400110.3V246 F274 Y275Q244-V246 PolarHBondContact O-N 2.94Å; Q244-F274 CarbonylContact O-C 3.52Å; Q244-F274 VanDerWaalsContact O-CA 3.24Å; Q244-F274 WeakPolarHBondContact O-CA 3.33Å; Q244-Y275 PolarHBondContact N-O 2.85Å; Q244-Y275 PolarHBondContact O-N 3.02Å
245M96.8Very high93.1Very high91 Ų9167.2 Ų67.245%0.44841%0.406SS..EExtended strand (participates in β ladder)trans-71.9120.7172.5-170.1-175.1-64.400109.2F235 Y272 V273 F274F235-M245 HydrophobicContact CD1-CE 4.49Å; F235-M245 HydrophobicContact CD2-CE 4.32Å; F235-M245 HydrophobicContact CE1-CE 4.36Å; F235-M245 HydrophobicContact CE2-CE 4.19Å; F235-M245 HydrophobicContact CG-CE 4.47Å; F235-M245 HydrophobicContact CZ-CE 4.21Å; M245-Y272 HydrophobicContact CE-CD1 3.95Å; M245-Y272 HydrophobicContact CE-CG 4.38Å; M245-Y272 HydrophobicContact SD-CD1 4.01Å; M245-V273 WeakPolarHBondContact CA-O 3.44Å; M245-F274 HydrophobicContact CB-CD1 4.1Å; M245-F274 HydrophobicContact CB-CE1 3.77Å; M245-F274 HydrophobicContact CB-CZ 4.06Å; M245-F274 HydrophobicContact CE-CE1 4.17Å; M245-F274 HydrophobicContact CE-CE2 4Å; M245-F274 HydrophobicContact CE-CZ 3.43Å; M245-F274 VanDerWaalsContact CE-CZ 3.43Å; M245-F274 HydrophobicContact CG-CE1 4.42Å; M245-F274 HydrophobicContact CG-CE2 4.46Å; M245-F274 HydrophobicContact CG-CZ 4.25Å
246V97.8Very high91.9Very high81 Ų8172.1 Ų72.149%0.49143%0.428SS..EExtended strand (participates in β ladder)trans-109.4-22.4-175.8-65.40000113.4F163 Q244 V273F163-V246 HydrophobicContact CE1-CG2 4.24Å; Q244-V246 PolarHBondContact O-N 2.94Å; V246-V273 HydrophobicContact CG2-CB 4.07Å; V246-V273 HydrophobicContact CG2-CG1 3.76Å; V246-V273 WeakPolarHBondContact CG2-O 3.25Å; V246-V273 PolarHBondContact N-O 3.45Å
247A96.1Very high90.6Very high50 Ų5071.1 Ų71.141%0.41343%0.425SS..EExtended strand (participates in β ladder)trans-157.5156.3177.500000111.4V273A247-V273 HydrophobicContact CB-CB 4.2Å; A247-V273 HydrophobicContact CB-CG2 4.34Å; A247-V273 PolarHBondContact O-N 2.89Å
248C96.2Very high89.3Confident90 Ų9074.2 Ų74.261%0.60844%0.442SS*.EExtended strand (participates in β ladder)trans-138.7143.316867.50000110.1E271 Y272C248-E271 WeakPolarHBondContact CA-O 3.47Å; C248-Y272 HydrophobicContact CB-CD1 3.76Å; C248-Y272 HydrophobicContact CB-CE1 4.14Å
249N93.7Very high87.8Confident84 Ų8483.5 Ų83.545%0.44949%0.485SS..EExtended strand (participates in β ladder)trans-142.2150.6178.4176.542.9000110.3T270 E271N249-T270 WeakPolarHBondContact O-CA 3.32Å; N249-E271 HydrophobicContact CB-CG 3.98Å; N249-E271 PolarHBondContact N-O 3.16Å; N249-E271 PolarHBondContact ND2-OE1 3.26Å; N249-E271 PolarHBondContact O-N 3.47Å
250S92.2Very high86.2Confident71 Ų7188.1 Ų88.150%0.49750%0.498SS..EExtended strand (participates in β ladder)trans-135.1121.9173.6-167.70000109.8Y269 T270S250-Y269 CarbonylContact C-O 3.53Å; S250-Y269 WeakPolarHBondContact CA-O 3.34Å; S250-T270 PolarHBondContact OG-OG1 2.91Å
251S89.3Confident84.6Confident47 Ų4783.3 Ų83.333%0.32948%0.479SS..EExtended strand (participates in β ladder)trans-111.2154.3178.159.10000110.7S268 Y269S251-S268 CarbonylContact O-C 3.45Å; S251-S268 VanDerWaalsContact O-CA 3.29Å; S251-S268 WeakPolarHBondContact O-CA 3.45Å; S251-Y269 PolarHBondContact N-O 3.2Å; S251-Y269 PolarHBondContact O-N 2.82Å; S251-Y269 PolarHBondContact OG-O 3.31Å
252V87.9Confident83.3Confident89 Ų8990.1 Ų90.154%0.53951%0.507SS..EExtended strand (participates in β ladder)trans-127.6131.5175.7-179.20000108.3W266 S267V252-W266 HydrophobicContact CG1-CE3 3.78Å; V252-W266 HydrophobicContact CG1-CZ3 4.43Å; V252-S267 WeakPolarHBondContact CA-O 3.46Å
253T82.9Confident82.2Confident69 Ų6993 Ų9342%0.42351%0.512SS..EExtended strand (participates in β ladder)trans-126.2137-179.355.20000109.8S267T253-S267 PolarHBondContact N-O 3.11Å; T253-S267 PolarHBondContact O-N 2.93Å; T253-S267 PolarHBondContact OG1-O 3.09Å
254A81.1Confident80.9Confident48 Ų4897.8 Ų97.840%0.39753%0.533SS..EExtended strand (participates in β ladder)trans-100.8140.5173.400000110K264 I265 W266A254-K264 HydrophobicContact CB-CD 4.5Å; A254-I265 CarbonylContact C-O 3.57Å; A254-I265 WeakPolarHBondContact CA-O 3.41Å; A254-W266 HydrophobicContact CB-CD2 4Å; A254-W266 HydrophobicContact CB-CE3 3.73Å; A254-W266 HydrophobicContact CB-CH2 3.99Å; A254-W266 HydrophobicContact CB-CZ2 4.21Å; A254-W266 HydrophobicContact CB-CZ3 3.74Å
255S75.7Confident79.9Confident54 Ų5495.2 Ų95.238%0.37852%0.523SS..EExtended strand (participates in β ladder)trans-131.1136.5174-49.60000109.2I265S255-I265 PolarHBondContact N-O 2.8Å; S255-I265 PolarHBondContact O-N 2.86Å
256F73.8Confident79Confident142 Ų14296.3 Ų96.362%0.62352%0.522SS*.EExtended strand (participates in β ladder)trans-75.1134.3175.2-66-83000109.9K264F256-K264 HydrophobicContact CD1-CG 4.07Å; F256-K264 HydrophobicContact CE1-CD 4.28Å; F256-K264 HydrophobicContact CE1-CG 3.94Å
257V68.7Low78.2Confident72 Ų7293 Ų9344%0.43650%0.503SS..SBendtrans-77.1-39.5-179.5-172.40000111.5D263 I265V257-D263 HydrophobicContact CG2-CB 4.35Å; V257-D263 PolarHBondContact N-O 2.8Å; V257-I265 HydrophobicContact CB-CD1 4.44Å; V257-I265 HydrophobicContact CG1-CD1 4.41Å; V257-I265 HydrophobicContact CG2-CB 4.31Å; V257-I265 HydrophobicContact CG2-CD1 3.33Å; V257-I265 HydrophobicContact CG2-CG1 3.37Å
258N70.8Confident77.8Confident98 Ų9891.6 Ų91.652%0.52449%0.489SS..  trans-139.6153.4179.6-80.2-37.9000110.2H260N258-H260 PolarHBondContact O-N 2.77Å
259Q67.1Low77.5Confident195 Ų19590 Ų9091%0.91147%0.471SS*.THydrogen-bonded Turntrans-67-12.9171.8-87.2176400113.4
260H62.1Low77.5Confident178 Ų17886.5 Ų86.582%0.82445%0.453SS*.THydrogen-bonded Turntrans-115.7-1.4-171.5-59.7-62.5000114.6N258N258-H260 PolarHBondContact O-N 2.77Å
261T61.8Low77.7Confident58 Ų5885.9 Ų85.936%0.35644%0.442SS..SBendtrans-129.2144.5175.364.90000110.4D263T261-D263 PolarHBondContact O-N 3.02Å; T261-D263 VanDerWaalsContact O-N 3.17Å; T261-D263 PolarHBondContact OG1-OD2 2.93Å
262E65.9Low78.1Confident181 Ų18184.7 Ų84.785%0.84643%0.43SS*.  trans-77.611.1178.7-63.3-166.3153.600113.5K264E262-K264 PolarHBondContact O-N 2.8Å
263D72.3Confident78.6Confident105 Ų10582 Ų8256%0.56142%0.415SS*.  trans-69.2119-179.7-61.6-46.7000110.5V257 T261V257-D263 HydrophobicContact CG2-CB 4.35Å; V257-D263 PolarHBondContact N-O 2.8Å; T261-D263 PolarHBondContact O-N 3.02Å; T261-D263 VanDerWaalsContact O-N 3.17Å; T261-D263 PolarHBondContact OG1-OD2 2.93Å
264K70.2Confident79.4Confident106 Ų10679.1 Ų79.146%0.46140%0.396SS..EExtended strand (participates in β ladder)trans-105124176.6-67.6175.8-175.8173.10110.1A254 F256 E262 W266A254-K264 HydrophobicContact CB-CD 4.5Å; F256-K264 HydrophobicContact CD1-CG 4.07Å; F256-K264 HydrophobicContact CE1-CD 4.28Å; F256-K264 HydrophobicContact CE1-CG 3.94Å; E262-K264 PolarHBondContact O-N 2.8Å; K264-W266 HydrophobicContact CD-CZ2 4.33Å
265I76.7Confident80.1Confident91 Ų9179.7 Ų79.747%0.46739%0.388SS..EExtended strand (participates in β ladder)trans-86.2126.2165.6-69.7168.1000108.4A254 S255 V257A254-I265 CarbonylContact C-O 3.57Å; A254-I265 WeakPolarHBondContact CA-O 3.41Å; S255-I265 PolarHBondContact N-O 2.8Å; S255-I265 PolarHBondContact O-N 2.86Å; V257-I265 HydrophobicContact CB-CD1 4.44Å; V257-I265 HydrophobicContact CG1-CD1 4.41Å; V257-I265 HydrophobicContact CG2-CB 4.31Å; V257-I265 HydrophobicContact CG2-CD1 3.33Å; V257-I265 HydrophobicContact CG2-CG1 3.37Å
266W77.4Confident81.1Confident114 Ų11478.4 Ų78.443%0.43238%0.375SS..EExtended strand (participates in β ladder)trans-99126176.4-61.686.1000110.1C172 V252 A254 K264C172-W266 HydrophobicContact CB-CB 4.12Å; C172-W266 PolarHBondContact N-O 2.9Å; C172-W266 VanDerWaalsContact N-O 3.11Å; V252-W266 HydrophobicContact CG1-CE3 3.78Å; V252-W266 HydrophobicContact CG1-CZ3 4.43Å; A254-W266 HydrophobicContact CB-CD2 4Å; A254-W266 HydrophobicContact CB-CE3 3.73Å; A254-W266 HydrophobicContact CB-CH2 3.99Å; A254-W266 HydrophobicContact CB-CZ2 4.21Å; A254-W266 HydrophobicContact CB-CZ3 3.74Å; K264-W266 HydrophobicContact CD-CZ2 4.33Å
267S81.4Confident81.8Confident12 Ų1273 Ų738%0.08436%0.359CS..EExtended strand (participates in β ladder)trans-116.8124.7175.1-68.50000109.5R169 V252 T253R169-S267 PolarHBondContact NE-OG 3.21Å; R169-S267 PolarHBondContact NH2-OG 3.44Å; V252-S267 WeakPolarHBondContact CA-O 3.46Å; T253-S267 PolarHBondContact N-O 3.11Å; T253-S267 PolarHBondContact O-N 2.93Å; T253-S267 PolarHBondContact OG1-O 3.09Å
268S87.4Confident82.4Confident19 Ų1971.3 Ų71.313%0.13335%0.35CS..EExtended strand (participates in β ladder)trans-91.2147.1167.266.60000110.2R169 G170 S251R169-S268 CarbonylContact C-O 3.57Å; R169-S268 VanDerWaalsContact CA-O 3.32Å; R169-S268 WeakPolarHBondContact CA-O 3.35Å; R169-S268 WeakPolarHBondContact CG-O 3.43Å; G170-S268 WeakPolarHBondContact CA-OG 3.25Å; G170-S268 PolarHBondContact N-O 3.38Å; G170-S268 PolarHBondContact O-N 3.05Å; G170-S268 PolarHBondContact O-OG 2.8Å; S251-S268 CarbonylContact O-C 3.45Å; S251-S268 VanDerWaalsContact O-CA 3.29Å; S251-S268 WeakPolarHBondContact O-CA 3.45Å
269Y90.4Very high82Confident57 Ų5770.5 Ų70.522%0.22435%0.352CS..EExtended strand (participates in β ladder)trans-131.8117.7171.9-174.3-100.8000108.4R169 L191 S250 S251 E271R169-Y269 HydrophobicContact CB-CD2 4.38Å; L191-Y269 HydrophobicContact CD1-CE2 4.25Å; S250-Y269 CarbonylContact C-O 3.53Å; S250-Y269 WeakPolarHBondContact CA-O 3.34Å; S251-Y269 PolarHBondContact N-O 3.2Å; S251-Y269 PolarHBondContact O-N 2.82Å; S251-Y269 PolarHBondContact OG-O 3.31Å; Y269-E271 HydrophobicContact CE1-CB 3.95Å
270T93.3Very high81.3Confident11 Ų1169.6 Ų69.67%0.06734%0.34CS..EExtended strand (participates in β ladder)trans-110.8132.9177.5-51.30000108.8G167 Y168 N249 S250 Y272G167-T270 CarbonylContact C-O 3.56Å; G167-T270 VanDerWaalsContact CA-O 3.25Å; G167-T270 WeakPolarHBondContact CA-O 3.32Å; Y168-T270 HydrophobicContact CE1-CG2 4.21Å; Y168-T270 PolarHBondContact N-O 2.98Å; Y168-T270 PolarHBondContact O-N 3.02Å; N249-T270 WeakPolarHBondContact O-CA 3.32Å; S250-T270 PolarHBondContact OG-OG1 2.91Å; T270-Y272 HydrophobicContact CG2-CE1 4.41Å; T270-Y272 HydrophobicContact CG2-CE2 4Å
271E95.9Very high80.2Confident57 Ų5772.8 Ų72.827%0.26635%0.345SS..EExtended strand (participates in β ladder)trans-129146.3-178.767-165.6171.900111.6T165 V166 C248 N249 Y269T165-E271 HydrophobicContact CG2-CB 3.99Å; V166-E271 CarbonylContact O-C 3.49Å; V166-E271 WeakPolarHBondContact O-CA 3.45Å; C248-E271 WeakPolarHBondContact CA-O 3.47Å; N249-E271 HydrophobicContact CB-CG 3.98Å; N249-E271 PolarHBondContact N-O 3.16Å; N249-E271 PolarHBondContact ND2-OE1 3.26Å; N249-E271 PolarHBondContact O-N 3.47Å; Y269-E271 HydrophobicContact CE1-CB 3.95Å
272Y98.1Very high78.9Confident22 Ų2275.3 Ų75.39%0.08637%0.365CS..EExtended strand (participates in β ladder)trans-127.6122.6178.8-54.3-84.6000108T165 V166 Y168 R185 L231 F235 M245 C248 T270T165-Y272 CarbonylContact C-O 3.52Å; T165-Y272 WeakPolarHBondContact CA-O 3.38Å; V166-Y272 PolarHBondContact N-O 3.16Å; V166-Y272 WeakPolarHBondContact O-CD2 3.32Å; V166-Y272 PolarHBondContact O-N 3.37Å; Y168-Y272 HydrophobicContact CE1-CE2 4.42Å; R185-Y272 PolarHBondContact NH1-OH 3.35Å; R185-Y272 PolarHBondContact NH2-OH 2.71Å; L231-Y272 HydrophobicContact CD1-CE2 4.25Å; L231-Y272 HydrophobicContact CD2-CE2 4.45Å; F235-Y272 AromaticContact CE1-CD2 3.91Å; F235-Y272 HydrophobicContact CE1-CD2 3.91Å; F235-Y272 HydrophobicContact CE1-CE2 4.44Å; F235-Y272 HydrophobicContact CE1-CG 4.05Å; F235-Y272 HydrophobicContact CZ-CD1 4.14Å; F235-Y272 AromaticContact CZ-CD2 3.64Å; F235-Y272 HydrophobicContact CZ-CD2 3.64Å; F235-Y272 HydrophobicContact CZ-CE1 4.25Å; F235-Y272 AromaticContact CZ-CE2 3.76Å; F235-Y272 HydrophobicContact CZ-CE2 3.76Å; F235-Y272 AromaticContact CZ-CG 3.82Å; F235-Y272 HydrophobicContact CZ-CG 3.82Å; M245-Y272 HydrophobicContact CE-CD1 3.95Å; M245-Y272 HydrophobicContact CE-CG 4.38Å; M245-Y272 HydrophobicContact SD-CD1 4.01Å; C248-Y272 HydrophobicContact CB-CD1 3.76Å; C248-Y272 HydrophobicContact CB-CE1 4.14Å; T270-Y272 HydrophobicContact CG2-CE1 4.41Å; T270-Y272 HydrophobicContact CG2-CE2 4Å
273V98.4Very high77.3Confident34 Ų3471.8 Ų71.821%0.20636%0.36CS..EExtended strand (participates in β ladder)trans-99.4125.1-176.9-174.50000108.4F163 T165 M245 V246 A247F163-V273 HydrophobicContact CD1-CG1 3.77Å; F163-V273 HydrophobicContact CE1-CG1 4.32Å; T165-V273 HydrophobicContact CG2-CG2 4.29Å; M245-V273 WeakPolarHBondContact CA-O 3.44Å; V246-V273 HydrophobicContact CG2-CB 4.07Å; V246-V273 HydrophobicContact CG2-CG1 3.76Å; V246-V273 WeakPolarHBondContact CG2-O 3.25Å; V246-V273 PolarHBondContact N-O 3.45Å; A247-V273 HydrophobicContact CB-CB 4.2Å; A247-V273 HydrophobicContact CB-CG2 4.34Å; A247-V273 PolarHBondContact O-N 2.89Å
274F98.5Very high75.5Confident7 Ų772 Ų723%0.03137%0.368CS..EExtended strand (participates in β ladder)trans-115.6140.1178.6-73.9-97.2000110.1F163 I164 V166 F235 L238 F243 Q244 M245F163-F274 CarbonylContact C-O 3.5Å; F163-F274 VanDerWaalsContact CA-O 3.24Å; F163-F274 WeakPolarHBondContact CA-O 3.37Å; I164-F274 PolarHBondContact N-O 2.87Å; I164-F274 WeakPolarHBondContact O-CA 3.43Å; I164-F274 WeakPolarHBondContact O-CB 3.31Å; I164-F274 PolarHBondContact O-N 2.81Å; V166-F274 HydrophobicContact CB-CE2 4.48Å; V166-F274 HydrophobicContact CG2-CD2 4.14Å; V166-F274 HydrophobicContact CG2-CE2 4.09Å; F235-F274 HydrophobicContact CB-CZ 4.19Å; F235-F274 HydrophobicContact CD1-CE1 4.48Å; F235-F274 AromaticContact CD1-CE2 3.71Å; F235-F274 HydrophobicContact CD1-CE2 3.71Å; F235-F274 AromaticContact CD1-CZ 3.36Å; F235-F274 HydrophobicContact CD1-CZ 3.36Å; F235-F274 AromaticContact CE1-CE2 3.85Å; F235-F274 HydrophobicContact CE1-CE2 3.85Å; F235-F274 AromaticContact CE1-CZ 3.89Å; F235-F274 HydrophobicContact CE1-CZ 3.89Å; F235-F274 AromaticContact CG-CZ 3.91Å; F235-F274 HydrophobicContact CG-CZ 3.91Å; L238-F274 HydrophobicContact CB-CD1 4.06Å; L238-F274 HydrophobicContact CB-CE1 4.21Å; L238-F274 HydrophobicContact CD1-CB 4.41Å; L238-F274 HydrophobicContact CD1-CD1 4.04Å; L238-F274 HydrophobicContact CD1-CD2 3.69Å; L238-F274 HydrophobicContact CD1-CE1 4.17Å; L238-F274 HydrophobicContact CD1-CE2 3.83Å; L238-F274 HydrophobicContact CD1-CG 3.79Å; L238-F274 HydrophobicContact CD1-CZ 4.07Å; F243-F274 HydrophobicContact CB-CB 4.1Å; F243-F274 HydrophobicContact CB-CD1 4.22Å; F243-F274 HydrophobicContact CD1-CB 4.09Å; Q244-F274 CarbonylContact O-C 3.52Å; Q244-F274 VanDerWaalsContact O-CA 3.24Å; Q244-F274 WeakPolarHBondContact O-CA 3.33Å; M245-F274 HydrophobicContact CB-CD1 4.1Å; M245-F274 HydrophobicContact CB-CE1 3.77Å; M245-F274 HydrophobicContact CB-CZ 4.06Å; M245-F274 HydrophobicContact CE-CE1 4.17Å; M245-F274 HydrophobicContact CE-CE2 4Å; M245-F274 HydrophobicContact CE-CZ 3.43Å; M245-F274 VanDerWaalsContact CE-CZ 3.43Å; M245-F274 HydrophobicContact CG-CE1 4.42Å; M245-F274 HydrophobicContact CG-CE2 4.46Å; M245-F274 HydrophobicContact CG-CZ 4.25Å
275Y97.4Very high73.8Confident60 Ų6072.3 Ų72.324%0.23538%0.38CS..EExtended strand (participates in β ladder)trans-128.9137.2178.3178.4-112.6000111G162 F163 F243 Q244G162-Y275 WeakPolarHBondContact O-CD2 3.48Å; F163-Y275 AromaticContact CD1-CD2 3.88Å; F163-Y275 HydrophobicContact CD1-CD2 3.88Å; F163-Y275 HydrophobicContact CD1-CG 4.29Å; F163-Y275 AromaticContact CD2-CD2 3.81Å; F163-Y275 HydrophobicContact CD2-CD2 3.81Å; F163-Y275 HydrophobicContact CD2-CE2 4.25Å; F163-Y275 AromaticContact CE1-CD2 3.61Å; F163-Y275 HydrophobicContact CE1-CD2 3.61Å; F163-Y275 AromaticContact CE1-CG 3.88Å; F163-Y275 HydrophobicContact CE1-CG 3.88Å; F163-Y275 AromaticContact CE2-CD2 3.52Å; F163-Y275 HydrophobicContact CE2-CD2 3.52Å; F163-Y275 AromaticContact CE2-CE2 3.76Å; F163-Y275 HydrophobicContact CE2-CE2 3.76Å; F163-Y275 AromaticContact CG-CD2 3.98Å; F163-Y275 HydrophobicContact CG-CD2 3.98Å; F163-Y275 AromaticContact CZ-CD2 3.42Å; F163-Y275 HydrophobicContact CZ-CD2 3.42Å; F163-Y275 VanDerWaalsContact CZ-CD2 3.42Å; F163-Y275 AromaticContact CZ-CE2 3.94Å; F163-Y275 HydrophobicContact CZ-CE2 3.94Å; F163-Y275 AromaticContact CZ-CG 3.99Å; F163-Y275 HydrophobicContact CZ-CG 3.99Å; F243-Y275 WeakPolarHBondContact CA-O 3.42Å; Q244-Y275 PolarHBondContact N-O 2.85Å; Q244-Y275 PolarHBondContact O-N 3.02Å
276R95.8Very high71.5Confident28 Ų2873.5 Ų73.511%0.10640%0.396CS..EExtended strand (participates in β ladder)trans-118.7121.5167.1-176.216873.1178.62.7109K160 S161 G162 E201 C241 G242 F243K160-R276 PolarHBondContact O-NE 2.86Å; K160-R276 PolarHBondContact O-NH2 2.96Å; S161-R276 CarbonylContact C-O 3.59Å; S161-R276 WeakPolarHBondContact CA-O 3.26Å; S161-R276 WeakPolarHBondContact CB-O 3.32Å; G162-R276 PolarHBondContact N-O 3.04Å; G162-R276 PolarHBondContact O-N 3.47Å; E201-R276 IonicContact OE1-CZ 3.14Å; E201-R276 VanDerWaalsContact OE1-CZ 3.24Å; E201-R276 IonicContact OE1-NH1 3.7Å; E201-R276 PolarHBondContact OE1-NH1 2.95Å; E201-R276 IonicContact OE1-NH2 2.81Å; E201-R276 PolarHBondContact OE1-NH2 3.1Å; E201-R276 IonicContact OE2-CZ 3.61Å; E201-R276 IonicContact OE2-NH2 2.75Å; E201-R276 PolarHBondContact OE2-NH2 3.28Å; C241-R276 WeakPolarHBondContact O-CD 3.49Å; C241-R276 PolarHBondContact O-NH1 2.94Å; G242-R276 WeakPolarHBondContact O-CG 3.45Å; F243-R276 HydrophobicContact CD1-CB 3.63Å; F243-R276 HydrophobicContact CD2-CB 3.95Å; F243-R276 HydrophobicContact CE1-CB 3.62Å; F243-R276 HydrophobicContact CE2-CB 3.94Å; F243-R276 HydrophobicContact CG-CB 3.79Å; F243-R276 HydrophobicContact CZ-CB 3.77Å
277G88.4Confident69.5Low28 Ų2875.6 Ų75.629%0.28942%0.415SS..  trans-69.7160.7176.600000112.8S279G277-S279 PolarHBondContact O-N 2.84Å
278P80.4Confident67.1Low36 Ų3680.1 Ų80.123%0.23445%0.445CS..  trans-52.8129.3163.1-17.426.3000109.9H97 S161 R280H97-P278 WeakPolarHBondContact CE1-CD 3.33Å; S161-P278 VanDerWaalsContact CB-N 3.31Å; P278-R280 PolarHBondContact O-N 3.11Å
279S63.6Low64.5Low82 Ų8284.9 Ų84.957%0.57348%0.478SS*.  trans-63.999.1176.658.30000109.9G277G277-S279 PolarHBondContact O-N 2.84Å
280R51.9Low61.8Low175 Ų17588.7 Ų88.766%0.6651%0.511SS*.SBendtrans-105.596157.6-68.9-170-161.2-1636.3106.2D96 P278D96-R280 IonicContact OD1-NH1 2.63Å; P278-R280 PolarHBondContact O-N 3.11Å
281W38.2Very low58.9Low246 Ų24697.7 Ų97.793%0.93255%0.549SS*.SBendtrans64.6129.7-178.7-95.1-77.7000116.6S283W281-S283 PolarHBondContact O-N 2.88Å
282S36.5Very low55.9Low111 Ų111102.7 Ų102.778%0.77658%0.578SS**PPolyproline II helixtrans-53.1125.4158.3-38.90000108.3
283S32.2Very low52.8Low106 Ų106110.4 Ų110.474%0.74161%0.614SS**PPolyproline II helixtrans-53.8142.2160.4-50.70000108.2W281W281-S283 PolarHBondContact O-N 2.88Å
284P32.8Very low49.9Very low111 Ų111119 Ų11972%0.72165%0.649SS**PPolyproline II helixtrans-58.3146.3167.926-30.2000108.1C286P284-C286 PolarHBondContact O-N 2.73Å
285P34.3Very low46.8Very low111 Ų111122.2 Ų122.272%0.72168%0.684SS**PPolyproline II helixtrans-55.1134.9176.623.6-30.1000108.2D287P285-D287 PolarHBondContact O-N 2.89Å
286C30Very low43.9Very low117 Ų117127.9 Ų127.979%0.79172%0.718SS**  trans-60.8104.2168.452.40000107.6P284 C288P284-C286 PolarHBondContact O-N 2.73Å; C286-C288 PolarHBondContact O-N 3.11Å
287D33.9Very low40.9Very low157 Ų157130.2 Ų130.284%0.8475%0.751SS**  trans-72.173.9163.2-85.5-30.6000107.9P285P285-D287 PolarHBondContact O-N 2.89Å
288C31.7Very low38.2Very low107 Ų107138.9 Ų138.972%0.72378%0.784SS**  trans-127.886.4163-840000108.6C286C286-C288 PolarHBondContact O-N 3.11Å
289C33.5Very low35.9Very low120 Ų120140.8 Ų140.881%0.81181%0.81SS**  trans75.770.4142.5-57.60000118.5
290C33.4Very low34.4Very low136 Ų136145.8 Ų145.892%0.91983%0.825SS**  trans-127.877.4143.6-71.10000109.7
291K32.1Very low33.4Very low201 Ų201143.2 Ų143.287%0.87483%0.834SS**  trans-121.5100.4158.3-81.7-171.3176.9177.90108.9H293K291-H293 PolarHBondContact O-N 3.42Å
292N33.3Very low33Very low161 Ų161135 Ų13586%0.86183%0.826SS**  trans-65.4118.8153.3-85.8-28.9000107.8
293H32.4Very low32.7Very low185 Ų185137.1 Ų137.186%0.85683%0.834SS**  trans-148.9125.8144.6-97.2-72.6000109.3K291K291-H293 PolarHBondContact O-N 3.42Å
294K38.4Very low32.7Very low214 Ų214137.8 Ų137.893%0.9384%0.838SS**  trans-51.7140.3160.3-84.8176.9165.5-1790110.1
295G31.9Very low32.7Very low74 Ų74140.2 Ų140.276%0.76384%0.838SS**  trans165.2104.7164.100000110.9
296D37Very low32.5Very low179 Ų179141.8 Ų141.896%0.95784%0.84SS**  trans-57.9147.8169.7-62-57.7000111.4
297G32.2Very low32.7Very low77 Ų77142.4 Ų142.479%0.79483%0.831SS**  trans160.1102169.400000113.6
298E32.9Very low32.6Very low210 Ų210142 Ų14298%0.98183%0.829SS**  trans-54.5147.8166.6-62.5167.5130.400111.9
299G31.7Very low32.5Very low77 Ų77141.9 Ų141.979%0.79483%0.829SS**  trans173.4112.9173.300000113.8
300E31.3Very low32.4Very low187 Ų187143 Ų14387%0.87483%0.832SS**  trans-72.4161.6-170.4-60.7167.4112.400115.5
301S32.3Very low32.1Very low121 Ų121142.1 Ų142.185%0.84683%0.828SS**  trans77.5132.5141.3-63.10000121.3
302G29.2Very low32Very low74 Ų74137.9 Ų137.976%0.76382%0.823SS**  trans136.659.8141.400000117.1S304G302-S304 PolarHBondContact O-N 2.85Å
303T29.8Very low31.8Very low155 Ų155135.9 Ų135.995%0.95182%0.822SS**  trans-84.9101.1162.555.70000109.5
304S32.5Very low31.7Very low120 Ų120135.7 Ų135.784%0.83982%0.821SS**  trans-96.3141.3166.859.90000111.4G302G302-S304 PolarHBondContact O-N 2.85Å
305F32.1Very low31.3Very low162 Ų162131.4 Ų131.471%0.71182%0.818SS**  trans-75.4148.2-172-157.3-104.8000113.7E307F305-E307 HydrophobicContact CD1-CG 3.81Å; F305-E307 HydrophobicContact CE1-CG 3.36Å; F305-E307 WeakPolarHBondContact CE1-OE1 3.37Å; F305-E307 HydrophobicContact CZ-CG 4.23Å
306N30.5Very low31.2Very low143 Ų143136.1 Ų136.177%0.76582%0.821SS**  trans165.4114.6135-94.610.1000108.7
307E35.5Very low31Very low130 Ų130133.5 Ų133.561%0.60782%0.816SS**  97.5136.861.9-85.3-87.4143.800112.1F305F305-E307 HydrophobicContact CD1-CG 3.81Å; F305-E307 HydrophobicContact CE1-CG 3.36Å; F305-E307 WeakPolarHBondContact CE1-OE1 3.37Å; F305-E307 HydrophobicContact CZ-CG 4.23Å
308L30.9Very low30.9Very low150 Ų150137.9 Ų137.979%0.78582%0.816SS**  trans82.5133.9169.3-46.5-179.9000117.3
309S30.6Very low30.7Very low103 Ų103134.1 Ų134.172%0.7281%0.807SS**  cis-169.4137-6.4-85.10000107.1
310T30Very low30.5Very low143 Ų143135.6 Ų135.688%0.87781%0.805SS**  trans-116.1108.1165.146.90000109
311S28.4Very low30.6Very low119 Ų119131.7 Ų131.783%0.83280%0.799SS**  trans-86.6124.1172.3660000110.5
312S29.9Very low31Very low111 Ų111131.4 Ų131.478%0.77679%0.794SS**  trans-85.2145.3167.5-560000110.7
313S28.8Very low31.1Very low119 Ų119136.5 Ų136.583%0.83280%0.798SS**  trans-130.3110.6161.6-62.20000109.2
314E29.4Very low31.1Very low181 Ų181132.7 Ų132.785%0.84679%0.79SS**  trans-84.3142.1166.7-66.5178.510100109.6
315S30.6Very low31Very low124 Ų124133.9 Ų133.987%0.86779%0.792SS**  trans-126.5112.7165.1-66.40000108.7
316Q30Very low31Very low174 Ų174132.1 Ų132.181%0.81379%0.794SS**  trans-81.8143169.1-63.9-176.2-6.300110.1
317S32.2Very low31Very low123 Ų123133.2 Ų133.286%0.8680%0.798SS**  trans-145.8121.5152.644.20000110.2
318E30Very low30.7Very low170 Ų170138 Ų13879%0.79481%0.811SS**  trans-92.8165173.3-70.4-163.811200112
319T29.3Very low30.5Very low130 Ų130134.2 Ų134.280%0.79881%0.809SS**  trans80.2143.9162.782.30000115.4
320S28.3Very low31.1Very low108 Ų108135.1 Ų135.176%0.75581%0.812SS**  cis-167.5157.25.831.50000108.7
321S32.6Very low30.9Very low106 Ų106134.7 Ų134.774%0.74181%0.809SS**  trans-76.7155.7171.4-171.20000111.3
322P41.2Very low30.9Very low114 Ų114134.5 Ų134.574%0.7481%0.808SS**  -140.6136.5116.131.3-14.6000115.4
323Q30.3Very low30.8Very low182 Ų182140.4 Ų140.485%0.8581%0.813SS**  trans25.5133.1130.4-66.6155.5-5.800120.2
324G30.3Very low30.6Very low75 Ų75143.6 Ų143.677%0.77381%0.814SS**  trans-78.7174.4-170.900000116.4
325T31.2Very low30.4Very low144 Ų144138.9 Ų138.988%0.88380%0.802SS**  trans-152.4132.9161.8-31.70000109.7
326V31.6Very low30.3Very low125 Ų125141.2 Ų141.276%0.75880%0.798SS**  trans-70.9137.9-179.7171.50000110.6
327I29.8Very low30.5Very low166 Ų166137.5 Ų137.585%0.85179%0.79SS**  trans-136.8118.5159-61.9-173.2000111.1
328R28.7Very low30.2Very low230 Ų230140.2 Ų140.287%0.86879%0.788SS**  trans-67.5146.1163.7-76.7-178.8161.9-178.1-4.2110.3
329G27.3Very low30.2Very low72 Ų72137 Ų13774%0.74279%0.791SS**  trans-73.5-155.816700000112.8
330P43.5Very low30.1Very low122 Ų122140.2 Ų140.279%0.79279%0.793SS**  cis-119-174-24.835.2-17.3000111
331V26.5Very low30.3Very low134 Ų134141.6 Ų141.681%0.81280%0.797SS**  trans159.5128.6134.81640000113.6
332S27.7Very low30.2Very low115 Ų115145.1 Ų145.180%0.80480%0.802SS**  trans58.9126.9150-142.90000124.9
333R27.3Very low29.9Very low235 Ų235145.7 Ų145.789%0.88780%0.804SS**  trans-72.7156160-71.1172.3164.5175.9-5.1112.4
334Q25.9Very low29.9Very low185 Ų185145.8 Ų145.886%0.86481%0.809SS**  trans-161.6106.6136.1-98.7175.8-3.500106.6
335S25Very low29.8Very low83 Ų83149.8 Ų149.858%0.5881%0.812SS**  62.8105.683.670.60000113.1
336H28.4Very low29.8Very low172 Ų172154.2 Ų154.280%0.79681%0.813SS**  171.2-17678-90.9-57.9000109.8
337P33.4Very low30.1Very low97 Ų97153.8 Ų153.863%0.6381%0.813SS**  -132.1-172.7-83.333.7-9.6000114
338H26.8Very low30.3Very low180 Ų180151.9 Ų151.983%0.83381%0.811SS**  trans97.193.9166.9-62.6-79.4000118.4
339A28.1Very low30.5Very low102 Ų102150.6 Ų150.684%0.84381%0.812SS**  -174.5135.5104.100000110.4
340K28.7Very low30.6Very low197 Ų197157.2 Ų157.286%0.85782%0.82SS**  trans-75.8136.6-171-68.4166.5173.6175.30111.7
341V31.7Very low30.1Very low138 Ų138154.9 Ų154.984%0.83682%0.818SS**  trans-120.2118.4150.5176.90000107.3
342Q31Very low30.7Very low180 Ų180154.4 Ų154.484%0.84182%0.818SS**  trans-76.6118.7176.4-77.6166.9-22.600109.8
343T33.7Very low30.6Very low126 Ų126155.5 Ų155.577%0.77382%0.82SS**  trans-115.7121.3154.341.50000107.7D345T343-D345 PolarHBondContact O-N 3.11Å
344L30.4Very low30.6Very low183 Ų183149.2 Ų149.296%0.95881%0.811SS**PPolyproline II helixtrans-58.1127.1-177.3-79.7157.3000111.9
345D28.9Very low30.8Very low159 Ų159149.4 Ų149.485%0.8582%0.815SS**PPolyproline II helixtrans-62.6142.8173.7-81.5-63.6000113.2T343T343-D345 PolarHBondContact O-N 3.11Å
346R32.1Very low31Very low237 Ų237152.9 Ų152.989%0.89483%0.825SS**PPolyproline II helixtrans-103.9123.1163.3-166.5179-164167.45107.1
347P37.5Very low31.1Very low116 Ų116153.4 Ų153.475%0.75383%0.828SS**PPolyproline II helixtrans-78.3150-17828.4-31000112.5
348P33.7Very low30.8Very low127 Ų127157.4 Ų157.483%0.82584%0.838SS**PPolyproline II helixtrans-87.4161.8-177.334.7-34.6000114.1
349K32.5Very low30.8Very low203 Ų203153.3 Ų153.388%0.88383%0.83SS**PPolyproline II helixtrans-68.5138.9175-67177.5174.5-179.60112.9
350K30.8Very low30.8Very low211 Ų211154.4 Ų154.492%0.91782%0.822SS**  trans-147.7120.4147.5-69.6-170.5179.8178.80107.4
351G31.7Very low30.8Very low72 Ų72151.8 Ų151.874%0.74281%0.812SS**  119.9157.7101.400000110.1
352P39.4Very low30.6Very low125 Ų125155.5 Ų155.581%0.81281%0.811SS**  trans-101.7173.8-144.535.9-29.9000116.6
353V26.7Very low30.7Very low138 Ų138158.5 Ų158.584%0.83682%0.815SS**  trans96.7112158.5-166.50000117.5
354S27.3Very low30.5Very low102 Ų102161.9 Ų161.971%0.71382%0.819SS**  -176.3138.3102.570.70000111.9
355M29.6Very low30.5Very low189 Ų189158.9 Ų158.993%0.93181%0.813SS**  trans-67.9132.8163.7-77.7-147.3-76.800108.9
356I28.8Very low30.6Very low157 Ų157158.8 Ų158.881%0.80581%0.813SS**  trans-142.2125.8150.2-109.3156.4000109.4
357Q29.6Very low30.5Very low182 Ų182155 Ų15585%0.8581%0.81SS**  trans-86.4129.9177.4178.5163.21500108.1
358Q28.2Very low30.2Very low182 Ų182156.5 Ų156.585%0.8581%0.81SS**  trans-151.2110.3155.4-109.6169.618.700110.3
359S27.3Very low30.1Very low93 Ų93162.5 Ų162.565%0.6582%0.817SS**  trans-45.7156.7148.248.20000110.7
360D27.4Very low30Very low126 Ų126158 Ų15867%0.67481%0.806SS**  cis-172.5152.637.8-128.4-37.9000109.4
361Q27.6Very low29.8Very low141 Ų141155.3 Ų155.366%0.65980%0.801SS**  trans69.3121.7140.2-83.417056.500125
362R27.6Very low29.6Very low216 Ų216159 Ų15982%0.81581%0.809SS**  85.2110.2128.1-110.3171.6174.4176-0.9119.3
363R33.3Very low29.2Very low244 Ų244157.5 Ų157.592%0.92181%0.808SS**  -172.4138.887.9-97.9176.5179.8166.30.9112.2
364K31.1Very low29.3Very low196 Ų196156.6 Ų156.685%0.85281%0.808SS**  trans-66.4154.1-176.9-67.7173.8168.1-179.70113.3
365S30.3Very low29.4Very low121 Ų121156.8 Ų156.885%0.84681%0.809SS**  -160.997.5115.341.80000110.7
366D29.4Very low29.7Very low156 Ų156159 Ų15983%0.83481%0.807SS**  trans-72.5131.9152.3-77.6-60.2000108.2
367L29.9Very low29.8Very low159 Ų159159 Ų15983%0.83281%0.808SS**  trans-144.4128.2155.8-15278.4000109.1
368L31.1Very low30.1Very low147 Ų147156.8 Ų156.877%0.7781%0.808SS**  trans88.775.4167.6-61.6154.9000117.9
369R32.5Very low30.3Very low253 Ų253153.9 Ų153.996%0.95581%0.807SS**  trans-111.7110.4133-105.9-172.4-168.41453.4108.2
370T29.6Very low31Very low107 Ų107153.5 Ų153.566%0.65682%0.818SS**  trans-139.9109.2166.4-51.40000108.9
371L27.2Very low31.2Very low155 Ų155153.4 Ų153.481%0.81283%0.825SS**  trans57.4102.5143.8-53.7171000118.5
372T28.1Very low31.9Very low149 Ų149156.3 Ų156.391%0.91484%0.836SS**  trans-10988.8145.642.70000108.7
373A31.2Very low32.5Very low95 Ų95155.9 Ų155.979%0.78584%0.84SS**  trans-103.9112152.600000106
374S28.7Very low33.2Very low119 Ų119155 Ų15583%0.83284%0.837SS**  trans-144.7132.6159.255.20000111.3
375S30.1Very low33.8Very low106 Ų106151.4 Ų151.474%0.74183%0.833SS**  trans-17.7137.6172-148.40000118.4
376R35.2Very low34.7Very low236 Ų236151.9 Ų151.989%0.89183%0.831SS**  trans-66.5133153.2-70.4172.8-177.6162.41.1108.1
377D30.7Very low35.9Very low156 Ų156153.8 Ų153.883%0.83483%0.832SS**  trans-137.1123.8148.4-91.7-41.9000109.7
378T36.2Very low37.4Very low136 Ų136154.6 Ų154.683%0.83483%0.831SS**  trans-82.9120.6173.739.40000109.7
379S31Very low38.9Very low121 Ų121155 Ų15585%0.84683%0.827SS**  trans-157.3143.3149.758.50000111.1
380G43.4Very low40.4Very low84 Ų84146 Ų14687%0.86680%0.801SS**  trans-69.6148.3-153.500000116.7
381C30.7Very low42.9Very low124 Ų124144.7 Ų144.784%0.83879%0.793SS**  trans-138.9122.6155.7-161.40000108.1K383C381-K383 PolarHBondContact O-N 2.88Å; C381-K383 VanDerWaalsContact O-N 3.15Å
382K43.1Very low45.2Very low202 Ų202143 Ų14388%0.87879%0.789SS**  trans-52.3119.5178-66.1178.1178178.60108.5R384K382-R384 PolarHBondContact O-N 2.8Å
383K39.2Very low47.7Very low207 Ų207143.2 Ų143.290%0.978%0.78SS**  trans-56106.7173.1-73.4-176.5178.2178.40108.2C381C381-K383 PolarHBondContact O-N 2.88Å; C381-K383 VanDerWaalsContact O-N 3.15Å
384R48.3Very low50.3Low226 Ų226143.6 Ų143.685%0.85377%0.765SS**  trans-63.9137.9160.1-71.7-177175.9-179-1.1106.9K382 V386K382-R384 PolarHBondContact O-N 2.8Å; R384-V386 PolarHBondContact O-N 2.89Å
385P44.8Very low52.7Low120 Ų120143.1 Ų143.178%0.77975%0.75SS**  trans-58.1137.3177.224.5-31.4000108.7K387P385-K387 PolarHBondContact O-N 3.38Å
386V47.7Very low55.2Low131 Ų131143.2 Ų143.279%0.79474%0.741SS**  trans-55.9111.9173.1175.90000106.3R384 E388R384-V386 PolarHBondContact O-N 2.89Å; V386-E388 VanDerWaalsContact C-N 3.33Å; V386-E388 PolarHBondContact O-N 2.87Å
387K56.1Low57.5Low196 Ų196137.1 Ų137.185%0.85272%0.723SS**  trans-66.4102.7166.3-83.9-174.7174.3-176.80105.8P385 K389P385-K387 PolarHBondContact O-N 3.38Å; K387-K389 PolarHBondContact O-N 3.2Å
388E61.3Low60.1Low176 Ų176136 Ų13682%0.82271%0.711SS**PPolyproline II helixtrans-50.9126.5166.4-71.4-178.7158.300107.4V386 P390V386-E388 VanDerWaalsContact C-N 3.33Å; V386-E388 PolarHBondContact O-N 2.87Å; E388-P390 WeakPolarHBondContact O-CD 3.37Å
389K61.7Low62.1Low155 Ų155133.6 Ų133.667%0.67470%0.698SS**PPolyproline II helixtrans-63.8122.1173.2-77.4-176.5169.4-169.80106.1E177 K387 T391E177-K389 WeakPolarHBondContact OE2-CE 3.4Å; E177-K389 IonicContact OE2-NZ 3.39Å; E177-K389 PolarHBondContact OE2-NZ 2.83Å; K387-K389 PolarHBondContact O-N 3.2Å; K389-T391 PolarHBondContact O-N 3.26Å
390P63.5Low64.6Low64 Ų64132 Ų13242%0.41668%0.679SS.*PPolyproline II helixtrans-55.7136.317822.9-31.4000108.3E388 E394 E395E388-P390 WeakPolarHBondContact O-CD 3.37Å; P390-E394 WeakPolarHBondContact CA-OE2 3.26Å; P390-E394 HydrophobicContact CB-CB 3.83Å; P390-E395 HydrophobicContact CB-CG 3.96Å; P390-E395 HydrophobicContact CG-CG 3.62Å
391T82.6Confident66.6Low81 Ų81132.9 Ų132.950%0.49766%0.661SS.*PPolyproline II helixtrans-58.2154.417456.90000109.3K389 Q393 E394 E395K389-T391 PolarHBondContact O-N 3.26Å; T391-Q393 PolarHBondContact O-N 2.88Å; T391-E394 PolarHBondContact N-OE2 2.63Å; T391-E394 WeakPolarHBondContact O-CA 3.08Å; T391-E394 WeakPolarHBondContact O-CB 3.44Å; T391-E394 PolarHBondContact O-N 3.17Å; T391-E394 WeakPolarHBondContact OG1-CG 3.2Å; T391-E394 PolarHBondContact OG1-N 3.28Å; T391-E394 PolarHBondContact OG1-OE2 2.89Å; T391-E395 PolarHBondContact O-N 3.28Å
392V76.1Confident69Low120 Ų120130 Ų13073%0.72764%0.638SS**Hα-helixtrans-52-30.4178.9176.40000111.7L396V392-L396 VanDerWaalsContact O-CB 3.31Å; V392-L396 WeakPolarHBondContact O-CB 3.12Å; V392-L396 PolarHBondContact O-N 2.85Å
393Q80.3Confident70.8Confident152 Ų152126.6 Ų126.671%0.7162%0.623SS**Hα-helixtrans-69.9-41.5175.7-173.4161.2-9.100113T391 L396 Q397T391-Q393 PolarHBondContact O-N 2.88Å; Q393-L396 PolarHBondContact O-N 3.2Å; Q393-Q397 VanDerWaalsContact O-CB 3.32Å; Q393-Q397 WeakPolarHBondContact O-CB 3.27Å; Q393-Q397 PolarHBondContact O-N 2.9Å
394E85.1Confident72.6Confident103 Ų103124 Ų12448%0.48161%0.614SS.*Hα-helixtrans-69.7-37174.8-70.3166.3144.700111.8P390 T391 Q397 K398P390-E394 WeakPolarHBondContact CA-OE2 3.26Å; P390-E394 HydrophobicContact CB-CB 3.83Å; T391-E394 PolarHBondContact N-OE2 2.63Å; T391-E394 WeakPolarHBondContact O-CA 3.08Å; T391-E394 WeakPolarHBondContact O-CB 3.44Å; T391-E394 PolarHBondContact O-N 3.17Å; T391-E394 WeakPolarHBondContact OG1-CG 3.2Å; T391-E394 PolarHBondContact OG1-N 3.28Å; T391-E394 PolarHBondContact OG1-OE2 2.89Å; E394-Q397 PolarHBondContact O-N 2.97Å; E394-K398 VanDerWaalsContact O-CB 3.3Å; E394-K398 WeakPolarHBondContact O-CB 3.4Å; E394-K398 PolarHBondContact O-N 2.89Å
395E79.9Confident74.1Confident109 Ų109119.6 Ų119.651%0.50960%0.601SS.*Hα-helixtrans-63.1-44.8172.6-69.9-170.2158.500111.4P390 T391 K398 C399P390-E395 HydrophobicContact CB-CG 3.96Å; P390-E395 HydrophobicContact CG-CG 3.62Å; T391-E395 PolarHBondContact O-N 3.28Å; E395-K398 PolarHBondContact O-N 3.46Å; E395-C399 WeakPolarHBondContact O-CB 3.29Å; E395-C399 PolarHBondContact O-N 3.28Å
396L82.1Confident75.8Confident108 Ų108119.2 Ų119.257%0.56559%0.591SS**Hα-helixtrans-62.8-44175.8-178.863000111.4V392 Q393 K398 C399 I400V392-L396 VanDerWaalsContact O-CB 3.31Å; V392-L396 WeakPolarHBondContact O-CB 3.12Å; V392-L396 PolarHBondContact O-N 2.85Å; Q393-L396 PolarHBondContact O-N 3.2Å; L396-K398 VanDerWaalsContact C-N 3.32Å; L396-K398 PolarHBondContact O-N 2.97Å; L396-C399 WeakPolarHBondContact O-CB 3.02Å; L396-C399 PolarHBondContact O-N 3.06Å; L396-I400 HydrophobicContact CD1-CD1 4.43Å; L396-I400 HydrophobicContact CG-CD1 4.09Å; L396-I400 VanDerWaalsContact O-CG1 3.29Å; L396-I400 WeakPolarHBondContact O-CG1 3.35Å; L396-I400 PolarHBondContact O-N 3.36Å
397Q84.1Confident77.3Confident109 Ų109122.2 Ų122.251%0.50959%0.593SS.*Hα-helixtrans-64.6-38.3179-166.5173.8-4.500111.6Q393 E394 I400 Q401Q393-Q397 VanDerWaalsContact O-CB 3.32Å; Q393-Q397 WeakPolarHBondContact O-CB 3.27Å; Q393-Q397 PolarHBondContact O-N 2.9Å; E394-Q397 PolarHBondContact O-N 2.97Å; Q397-I400 PolarHBondContact O-N 3.02Å; Q397-Q401 WeakPolarHBondContact O-CG 3.3Å; Q397-Q401 PolarHBondContact O-N 2.92Å
398K85.1Confident78.2Confident132 Ų132114.7 Ų114.757%0.57456%0.562SS**Hα-helixtrans-65.7-41.6172.4-169.9-173.9174.6-143.20111.7E394 E395 L396 I400 Q401 D402E394-K398 VanDerWaalsContact O-CB 3.3Å; E394-K398 WeakPolarHBondContact O-CB 3.4Å; E394-K398 PolarHBondContact O-N 2.89Å; E395-K398 PolarHBondContact O-N 3.46Å; L396-K398 VanDerWaalsContact C-N 3.32Å; L396-K398 PolarHBondContact O-N 2.97Å; K398-I400 VanDerWaalsContact C-N 3.33Å; K398-I400 PolarHBondContact O-N 3.45Å; K398-Q401 PolarHBondContact O-N 3.36Å; K398-D402 WeakPolarHBondContact O-CB 3.32Å; K398-D402 PolarHBondContact O-N 2.92Å
399C77.9Confident78.7Confident85 Ų85109.4 Ų109.457%0.57454%0.543SS*.Hα-helixtrans-62.6-40.5177.1-139.30000111.6E395 L396 D402 F403E395-C399 WeakPolarHBondContact O-CB 3.29Å; E395-C399 PolarHBondContact O-N 3.28Å; L396-C399 WeakPolarHBondContact O-CB 3.02Å; L396-C399 PolarHBondContact O-N 3.06Å; C399-D402 PolarHBondContact O-N 3.38Å; C399-F403 WeakPolarHBondContact O-CB 3.42Å; C399-F403 PolarHBondContact O-N 3.14Å
400I83.2Confident79.1Confident87 Ų87109.6 Ų109.645%0.44655%0.546SS..Hα-helixtrans-62.8-48.9172.8-67164.7000110L396 Q397 K398 D402 F403 H404L396-I400 HydrophobicContact CD1-CD1 4.43Å; L396-I400 HydrophobicContact CG-CD1 4.09Å; L396-I400 VanDerWaalsContact O-CG1 3.29Å; L396-I400 WeakPolarHBondContact O-CG1 3.35Å; L396-I400 PolarHBondContact O-N 3.36Å; Q397-I400 PolarHBondContact O-N 3.02Å; K398-I400 VanDerWaalsContact C-N 3.33Å; K398-I400 PolarHBondContact O-N 3.45Å; I400-D402 VanDerWaalsContact C-N 3.28Å; I400-D402 PolarHBondContact O-N 2.84Å; I400-F403 WeakPolarHBondContact O-CB 3.16Å; I400-F403 PolarHBondContact O-N 3.47Å; I400-H404 PolarHBondContact O-CD2 2.81Å; I400-H404 PolarHBondContact O-N 2.75Å; I400-H404 VanDerWaalsContact O-N 3.08Å
401Q85.1Confident79.4Confident103 Ų103116.2 Ų116.248%0.48156%0.563SS.*Hα-helixtrans-60-38.7177.6-74.5178.815.700112.8Q397 K398 H404 K405Q397-Q401 WeakPolarHBondContact O-CG 3.3Å; Q397-Q401 PolarHBondContact O-N 2.92Å; K398-Q401 PolarHBondContact O-N 3.36Å; Q401-H404 PolarHBondContact O-N 3.2Å; Q401-K405 WeakPolarHBondContact O-CG 3.41Å; Q401-K405 PolarHBondContact O-N 3.19Å
402D81.3Confident79.2Confident65 Ų65114.6 Ų114.635%0.34855%0.549SS..Hα-helixtrans-72.7-33.5178.7-70.6-17.5000111.6K398 C399 I400 H404 K405 I406K398-D402 WeakPolarHBondContact O-CB 3.32Å; K398-D402 PolarHBondContact O-N 2.92Å; C399-D402 PolarHBondContact O-N 3.38Å; I400-D402 VanDerWaalsContact C-N 3.28Å; I400-D402 PolarHBondContact O-N 2.84Å; D402-H404 VanDerWaalsContact C-N 3.33Å; D402-H404 PolarHBondContact O-N 2.87Å; D402-K405 WeakPolarHBondContact O-CB 3.22Å; D402-K405 PolarHBondContact O-N 2.62Å; D402-K405 VanDerWaalsContact O-N 3.1Å; D402-K405 IonicContact OD1-NZ 2.89Å; D402-K405 PolarHBondContact OD1-NZ 2.7Å; D402-I406 PolarHBondContact O-N 2.64Å
403F81.4Confident78.8Confident130 Ų130115 Ų11557%0.5755%0.554SS**Hα-helixtrans-60.9-41.3171.2-171.3-97.7000111.9C399 I400 K405 I406C399-F403 WeakPolarHBondContact O-CB 3.42Å; C399-F403 PolarHBondContact O-N 3.14Å; I400-F403 WeakPolarHBondContact O-CB 3.16Å; I400-F403 PolarHBondContact O-N 3.47Å; F403-K405 PolarHBondContact O-N 2.85Å; F403-I406 HydrophobicContact CD2-CD1 4.1Å; F403-I406 PolarHBondContact O-N 3.1Å
404H75.9Confident78.1Confident152 Ų152110.6 Ų110.670%0.70455%0.55SS*.THydrogen-bonded Turntrans-68.3-16.3176.2-78.2-115.7000113.7I400 Q401 D402I400-H404 PolarHBondContact O-CD2 2.81Å; I400-H404 PolarHBondContact O-N 2.75Å; I400-H404 VanDerWaalsContact O-N 3.08Å; Q401-H404 PolarHBondContact O-N 3.2Å; D402-H404 VanDerWaalsContact C-N 3.33Å; D402-H404 PolarHBondContact O-N 2.87Å
405K80.9Confident76.9Confident134 Ų134116.1 Ų116.158%0.58357%0.566SS**THydrogen-bonded Turntrans-88.6-10.1176.3-68.3170.8-161.71580113.3Q401 D402 F403 K407Q401-K405 WeakPolarHBondContact O-CG 3.41Å; Q401-K405 PolarHBondContact O-N 3.19Å; D402-K405 WeakPolarHBondContact O-CB 3.22Å; D402-K405 PolarHBondContact O-N 2.62Å; D402-K405 VanDerWaalsContact O-N 3.1Å; D402-K405 IonicContact OD1-NZ 2.89Å; D402-K405 PolarHBondContact OD1-NZ 2.7Å; F403-K405 PolarHBondContact O-N 2.85Å; K405-K407 PolarHBondContact O-N 3.26Å; K405-K407 VanDerWaalsContact O-N 3.09Å
406I80.7Confident76.3Confident112 Ų112117.5 Ų117.557%0.57457%0.572SS**  trans-69.1109.9178.5-59.7174.7000108.2D402 F403D402-I406 PolarHBondContact O-N 2.64Å; F403-I406 HydrophobicContact CD2-CD1 4.1Å; F403-I406 PolarHBondContact O-N 3.1Å
407K78Confident76Confident194 Ų194119 Ų11984%0.84357%0.572SS**  trans-88.4115.5170.9-67.1-170.4177.7-1730108.9K405K405-K407 PolarHBondContact O-N 3.26Å; K405-K407 VanDerWaalsContact O-N 3.09Å
408I75.8Confident75.6Confident38 Ų38119.1 Ų119.120%0.19558%0.579CS.*  trans-75.3125.5170.6-59.1170.2000106.8F412 L423 L424 Y427 L429I408-F412 HydrophobicContact CG2-CE2 4.3Å; I408-F412 HydrophobicContact CG2-CZ 4.11Å; I408-L423 HydrophobicContact CD1-CD2 4.07Å; I408-L423 HydrophobicContact CD1-CG 4.11Å; I408-L423 HydrophobicContact CG1-CD2 4.28Å; I408-L423 HydrophobicContact CG2-CD2 3.98Å; I408-L424 HydrophobicContact CG2-CD2 3.99Å; I408-Y427 HydrophobicContact CD1-CD2 3.57Å; I408-Y427 HydrophobicContact CD1-CE2 4Å; I408-Y427 HydrophobicContact CD1-CG 3.93Å; I408-L429 HydrophobicContact CB-CD1 3.75Å; I408-L429 HydrophobicContact CD1-CD1 4.38Å; I408-L429 HydrophobicContact CG2-CD1 4.07Å
409P72.4Confident75.5Confident64 Ų64120 Ų12042%0.41658%0.579SS.*  trans-61140.5174.5-20.531.8000110.9R411 F412 L424P409-R411 PolarHBondContact O-N 3.23Å; P409-R411 VanDerWaalsContact O-N 3.16Å; P409-F412 HydrophobicContact CG-CD1 4.44Å; P409-F412 HydrophobicContact CG-CE1 3.99Å; P409-F412 HydrophobicContact CG-CZ 4.42Å; P409-L424 WeakPolarHBondContact O-CD2 3.21Å
410E68.8Low75.7Confident159 Ų159117.1 Ų117.174%0.74356%0.557SS**SBendtrans-61.7-21.5175-66.1180177.800112.4
411R70.6Confident75.3Confident204 Ų204115.3 Ų115.377%0.7755%0.55SS**SBendtrans-149.1134.6174.6-155.8177.5-158-168.95.1111.1P409P409-R411 PolarHBondContact O-N 3.23Å; P409-R411 VanDerWaalsContact O-N 3.16Å
412F78.6Confident75.1Confident46 Ų46113.8 Ų113.820%0.20255%0.546CS..  trans-90.1122.3169.5-65.7-81.7000109.7I408 P409 Q420 L423 L424I408-F412 HydrophobicContact CG2-CE2 4.3Å; I408-F412 HydrophobicContact CG2-CZ 4.11Å; P409-F412 HydrophobicContact CG-CD1 4.44Å; P409-F412 HydrophobicContact CG-CE1 3.99Å; P409-F412 HydrophobicContact CG-CZ 4.42Å; F412-Q420 HydrophobicContact CD2-CB 3.93Å; F412-Q420 HydrophobicContact CD2-CG 4.29Å; F412-Q420 HydrophobicContact CE2-CB 4.26Å; F412-Q420 HydrophobicContact CG-CB 4.46Å; F412-Q420 HydrophobicContact CG-CG 4.42Å; F412-L423 HydrophobicContact CZ-CD2 4.29Å; F412-L424 HydrophobicContact CD2-CD1 4.14Å; F412-L424 HydrophobicContact CD2-CG 4.41Å; F412-L424 HydrophobicContact CE2-CD1 4.37Å; F412-L424 HydrophobicContact CE2-CD2 4.18Å; F412-L424 HydrophobicContact CE2-CG 4.14Å
413P66.9Low75Confident130 Ų130113.2 Ų113.284%0.84454%0.542SS*.  trans-79.2124.7177.828.5-30.6000111.6
414G67.3Low74.9Confident59 Ų59108.3 Ų108.361%0.60852%0.522SS*.SBendtrans89.1152.3176.600000114.8Q416G414-Q416 PolarHBondContact O-N 3.46Å
415R59.2Low75Confident218 Ų218109.4 Ų109.482%0.82352%0.52SS*.SBendtrans4.5100.5-176.1-68.4-171.2-171.6-160.12.8115Y417 Q420R415-Y417 WeakPolarHBondContact O-CD2 3.5Å; R415-Y417 PolarHBondContact O-N 2.81Å; R415-Q420 PolarHBondContact O-OE1 3.18Å
416Q66.4Low74.9Confident138 Ų138110.7 Ų110.765%0.64553%0.525SS*.  trans-68.5110.3177.7-71.2-173.8-7.400110.7G414G414-Q416 PolarHBondContact O-N 3.46Å
417Y76.2Confident74.6Confident141 Ų141110.5 Ų110.555%0.55352%0.518SS*.  trans-79.2144.1165.2-64.7-85.3000109.2R415 W419 Q420R415-Y417 WeakPolarHBondContact O-CD2 3.5Å; R415-Y417 PolarHBondContact O-N 2.81Å; Y417-W419 VanDerWaalsContact CB-CD1 3.49Å; Y417-W419 VanDerWaalsContact CB-NE1 3.35Å; Y417-W419 AromaticContact CG-NE1 3.91Å; Y417-W419 PolarHBondContact O-N 3.01Å; Y417-Q420 WeakPolarHBondContact O-CB 3.11Å; Y417-Q420 PolarHBondContact O-N 3.48Å
418V76.9Confident74.3Confident111 Ų111112.7 Ų112.767%0.67352%0.521SS*.Hα-helixtrans-51-38.7-175.7-179.10000112.6Q420 T421 D422V418-Q420 VanDerWaalsContact C-N 3.3Å; V418-Q420 PolarHBondContact O-N 3.2Å; V418-T421 PolarHBondContact O-N 3.35Å; V418-D422 PolarHBondContact O-N 2.85Å
419W83Confident73.7Confident151 Ų151116.2 Ų116.257%0.57254%0.54SS*.Hα-helixtrans-65.7-28.5178.970.7-96.2000113.8Y417 L423Y417-W419 VanDerWaalsContact CB-CD1 3.49Å; Y417-W419 VanDerWaalsContact CB-NE1 3.35Å; Y417-W419 AromaticContact CG-NE1 3.91Å; Y417-W419 PolarHBondContact O-N 3.01Å; W419-L423 HydrophobicContact CZ3-CD2 4.46Å; W419-L423 VanDerWaalsContact O-CB 3.25Å; W419-L423 WeakPolarHBondContact O-CB 3.46Å; W419-L423 PolarHBondContact O-N 2.76Å
420Q80.3Confident73.8Confident24 Ų24118.9 Ų118.911%0.11255%0.546CS..Hα-helixtrans-70.2-41.7177.5-65.6171.5-37.800110.3F412 R415 Y417 V418 L423 L424F412-Q420 HydrophobicContact CD2-CB 3.93Å; F412-Q420 HydrophobicContact CD2-CG 4.29Å; F412-Q420 HydrophobicContact CE2-CB 4.26Å; F412-Q420 HydrophobicContact CG-CB 4.46Å; F412-Q420 HydrophobicContact CG-CG 4.42Å; R415-Q420 PolarHBondContact O-OE1 3.18Å; Y417-Q420 WeakPolarHBondContact O-CB 3.11Å; Y417-Q420 PolarHBondContact O-N 3.48Å; V418-Q420 VanDerWaalsContact C-N 3.3Å; V418-Q420 PolarHBondContact O-N 3.2Å; Q420-L423 PolarHBondContact O-N 2.71Å; Q420-L424 WeakPolarHBondContact O-CG 3.07Å; Q420-L424 PolarHBondContact O-N 3.47Å; Q420-L424 VanDerWaalsContact O-N 3.08Å
421T76Confident74Confident49 Ų49116.7 Ų116.730%0.30154%0.536SS..Hα-helixtrans-67-42.4176.1-49.90000111.4V418 L423 L424 R425V418-T421 PolarHBondContact O-N 3.35Å; T421-L423 VanDerWaalsContact C-N 3.3Å; T421-L423 PolarHBondContact O-N 2.92Å; T421-L424 PolarHBondContact O-N 3.35Å; T421-R425 WeakPolarHBondContact O-CB 3.21Å; T421-R425 PolarHBondContact O-N 2.7Å
422D80.1Confident74.2Confident71 Ų71111.9 Ų111.938%0.3852%0.523SS..Hα-helixtrans-66.4-33.6176.4-72.4-21.9000112.2V418 R425 K426V418-D422 PolarHBondContact O-N 2.85Å; D422-R425 IonicContact OD1-CZ 3.67Å; D422-R425 IonicContact OD1-NH1 2.79Å; D422-R425 PolarHBondContact OD1-NH1 3.21Å; D422-K426 WeakPolarHBondContact O-CB 3.43Å; D422-K426 PolarHBondContact O-N 2.86Å
423L79.5Confident74Confident52 Ų52115.8 Ų115.827%0.27254%0.542SS..Hα-helixtrans-65.2-49.8175-165.879.9000111I408 F412 W419 Q420 T421 R425 K426 Y427I408-L423 HydrophobicContact CD1-CD2 4.07Å; I408-L423 HydrophobicContact CD1-CG 4.11Å; I408-L423 HydrophobicContact CG1-CD2 4.28Å; I408-L423 HydrophobicContact CG2-CD2 3.98Å; F412-L423 HydrophobicContact CZ-CD2 4.29Å; W419-L423 HydrophobicContact CZ3-CD2 4.46Å; W419-L423 VanDerWaalsContact O-CB 3.25Å; W419-L423 WeakPolarHBondContact O-CB 3.46Å; W419-L423 PolarHBondContact O-N 2.76Å; Q420-L423 PolarHBondContact O-N 2.71Å; T421-L423 VanDerWaalsContact C-N 3.3Å; T421-L423 PolarHBondContact O-N 2.92Å; L423-R425 PolarHBondContact O-N 2.78Å; L423-K426 PolarHBondContact O-N 3.18Å; L423-Y427 HydrophobicContact CD1-CD2 4.17Å; L423-Y427 HydrophobicContact CD1-CE2 3.83Å; L423-Y427 HydrophobicContact CG-CD2 4.24Å; L423-Y427 HydrophobicContact CG-CE2 4.4Å; L423-Y427 VanDerWaalsContact O-CD2 3.28Å; L423-Y427 WeakPolarHBondContact O-CD2 3.39Å; L423-Y427 PolarHBondContact O-N 3Å; L423-Y427 VanDerWaalsContact O-N 3.13Å
424L78.8Confident74.4Confident28 Ų28114.9 Ų114.915%0.14752%0.523CS..Hα-helixtrans-60-46.1176.3-68.5174.7000111.4I408 P409 F412 Q420 T421 K426 Y427 R428 L429I408-L424 HydrophobicContact CG2-CD2 3.99Å; P409-L424 WeakPolarHBondContact O-CD2 3.21Å; F412-L424 HydrophobicContact CD2-CD1 4.14Å; F412-L424 HydrophobicContact CD2-CG 4.41Å; F412-L424 HydrophobicContact CE2-CD1 4.37Å; F412-L424 HydrophobicContact CE2-CD2 4.18Å; F412-L424 HydrophobicContact CE2-CG 4.14Å; Q420-L424 WeakPolarHBondContact O-CG 3.07Å; Q420-L424 PolarHBondContact O-N 3.47Å; Q420-L424 VanDerWaalsContact O-N 3.08Å; T421-L424 PolarHBondContact O-N 3.35Å; L424-K426 PolarHBondContact O-N 2.58Å; L424-Y427 CarbonylContact O-C 3.53Å; L424-Y427 PolarHBondContact O-N 2.88Å; L424-R428 PolarHBondContact O-N 3.25Å; L424-L429 HydrophobicContact CD2-CB 4Å; L424-L429 PolarHBondContact O-N 3.26Å; L424-L429 VanDerWaalsContact O-N 3.13Å
425R78.1Confident74.9Confident174 Ų174118.6 Ų118.666%0.65752%0.517SS*.Hα-helixtrans-58.9-44.6176.6-169.8-170.5-64.1135.11.6112.2T421 D422 L423 Y427 R428T421-R425 WeakPolarHBondContact O-CB 3.21Å; T421-R425 PolarHBondContact O-N 2.7Å; D422-R425 IonicContact OD1-CZ 3.67Å; D422-R425 IonicContact OD1-NH1 2.79Å; D422-R425 PolarHBondContact OD1-NH1 3.21Å; L423-R425 PolarHBondContact O-N 2.78Å; R425-Y427 VanDerWaalsContact C-N 3.32Å; R425-Y427 PolarHBondContact O-N 2.89Å; R425-R428 PolarHBondContact O-N 3.39Å
426K79.2Confident76Confident161 Ų161111.5 Ų111.570%0.750%0.495SS*.Hα-helixtrans-65.7-34.7-177.7-175.8173.3-178.5176.90112.4D422 L423 L424D422-K426 WeakPolarHBondContact O-CB 3.43Å; D422-K426 PolarHBondContact O-N 2.86Å; L423-K426 PolarHBondContact O-N 3.18Å; L424-K426 PolarHBondContact O-N 2.58Å
427Y74.7Confident76.8Confident109 Ų109109.5 Ų109.543%0.42748%0.484SS..Hα-helixtrans-98.83.8-179.6-68.8-77.6000114.1I408 L423 L424 R425 L429I408-Y427 HydrophobicContact CD1-CD2 3.57Å; I408-Y427 HydrophobicContact CD1-CE2 4Å; I408-Y427 HydrophobicContact CD1-CG 3.93Å; L423-Y427 HydrophobicContact CD1-CD2 4.17Å; L423-Y427 HydrophobicContact CD1-CE2 3.83Å; L423-Y427 HydrophobicContact CG-CD2 4.24Å; L423-Y427 HydrophobicContact CG-CE2 4.4Å; L423-Y427 VanDerWaalsContact O-CD2 3.28Å; L423-Y427 WeakPolarHBondContact O-CD2 3.39Å; L423-Y427 PolarHBondContact O-N 3Å; L423-Y427 VanDerWaalsContact O-N 3.13Å; L424-Y427 CarbonylContact O-C 3.53Å; L424-Y427 PolarHBondContact O-N 2.88Å; R425-Y427 VanDerWaalsContact C-N 3.32Å; R425-Y427 PolarHBondContact O-N 2.89Å; Y427-L429 PolarHBondContact O-N 3.17Å
428R71.5Confident76.8Confident239 Ų239106.8 Ų106.890%0.90248%0.478SS*.THydrogen-bonded Turntrans54.139.1-179.5-55.9-175179.5-175.5-0.6113.2L424 R425L424-R428 PolarHBondContact O-N 3.25Å; R425-R428 PolarHBondContact O-N 3.39Å
429L63.6Low76.8Confident113 Ų113106.5 Ų106.559%0.59246%0.46SS*.  trans-101.60177-66.8172000111.1I408 L424 Y427I408-L429 HydrophobicContact CB-CD1 3.75Å; I408-L429 HydrophobicContact CD1-CD1 4.38Å; I408-L429 HydrophobicContact CG2-CD1 4.07Å; L424-L429 HydrophobicContact CD2-CB 4Å; L424-L429 PolarHBondContact O-N 3.26Å; L424-L429 VanDerWaalsContact O-N 3.13Å; Y427-L429 PolarHBondContact O-N 3.17Å

Retrieved 429 of 429 residues in 584.5 ms (Link to these results)