A0A096NA93_PAPAN Loading...

Kinesin-like protein

Minus-end microtubule-dependent motor protein. Acts as a negative regulator of centrosome separation required to prevent premature centrosome separation during interphase. Required to maintain a centered nucleus to ensure that the spindle is stably oriented at the onset of mitosis. May also act as a negative regulator of amino acid starvation-induced autophagy.

AlphaFold DB , UniProt , Accession A0A096NA93, Species PAPAN (Papio anubis, Olive baboon), Gene KIF25, Length 383 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
1M40.3Very low32.9Very low238 Ų238168.5 Ų168.5100%1.17289%0.894SS**  078.30-69.5159.2147.800106.8
2K32.6Very low32.6Very low207 Ų207170.3 Ų170.390%0.989%0.894SS**  27.494.485.2-74.5-168.6-179.3-179.70114.2
3T33.9Very low32.2Very low141 Ų141164.6 Ų164.687%0.86589%0.886SS**  trans-136.3107.7146.5450000108.1
4S32.7Very low32Very low124 Ų124169.9 Ų169.987%0.86789%0.887SS**  trans-66.4138.6170.9-57.80000110.7
5G32.3Very low32.1Very low78 Ų78167.6 Ų167.680%0.80489%0.886SS**  trans-135.3107.6162.700000108.3
6Q32.3Very low31.7Very low193 Ų193161.7 Ų161.790%0.90288%0.878SS**PPolyproline II helixtrans-61.6134.6-178.9-85.1158.3-3200112.2
7L32.6Very low31.8Very low164 Ų164160.1 Ų160.186%0.85988%0.882SS**PPolyproline II helixtrans-68.6137.1159.6-76.3149.5000109.2
8P34.1Very low31.4Very low125 Ų125154.7 Ų154.781%0.81287%0.868SS**PPolyproline II helixtrans-77137.2171.330.5-29.7000110.5
9H30.1Very low31Very low186 Ų186151.9 Ų151.986%0.86187%0.868SS**PPolyproline II helixtrans-53.9131.6177.7-91.6-96.8000113.6K11H9-K11 PolarHBondContact O-N 3.45Å
10E29.4Very low30.5Very low190 Ų190150.6 Ų150.689%0.88886%0.862SS**  trans-61.9113.4166.3-154.4176.1151.400109.6Q12E10-Q12 PolarHBondContact O-N 3.23Å
11K31.4Very low30.1Very low207 Ų207150.6 Ų150.690%0.986%0.859SS**  trans-78.7104.7171.8-91.2-174.4177.5-179.30109H9 A13H9-K11 PolarHBondContact O-N 3.45Å; K11-A13 PolarHBondContact O-N 3.27Å
12Q29.2Very low29.3Very low191 Ų191142.7 Ų142.789%0.89383%0.831SS**  trans-63.8111.2170.4-157161.923.400110.1E10E10-Q12 PolarHBondContact O-N 3.23Å
13A28.3Very low29.2Very low96 Ų96140.1 Ų140.179%0.79382%0.82SS**PPolyproline II helixtrans-80.1127.4176.200000110.7K11K11-A13 PolarHBondContact O-N 3.27Å
14R29.4Very low29.1Very low238 Ų238138.6 Ų138.690%0.89881%0.813SS**PPolyproline II helixtrans-79.3150.5170.4-70.6-176.6178.7-169-0.5110.4
15P33.4Very low29.4Very low136 Ų136140.3 Ų140.388%0.88381%0.812SS**PPolyproline II helixtrans-81.1131.6179.533.1-30.7000110.2
16G25.9Very low29.9Very low73 Ų73144.2 Ų144.275%0.75381%0.809SS**  trans-172.695.7178.200000112.5
17S32.4Very low30.6Very low135 Ų135140.7 Ų140.794%0.94480%0.801SS**  trans17.4112.9152.3-179.80000118.7
18G24.1Very low31.7Very low62 Ų62140.2 Ų140.264%0.63980%0.8SS**  trans155.596.6162.400000110.1V20G18-V20 VanDerWaalsContact C-N 3.25Å; G18-V20 PolarHBondContact O-N 3.3Å
19A23.9Very low33.2Very low103 Ų103140.9 Ų140.985%0.85180%0.796SS**  trans-67.986.8174.500000109.4L21A19-L21 PolarHBondContact O-N 3.24Å
20V22.1Very low35.7Very low125 Ų125133.7 Ų133.776%0.75877%0.772SS**  trans-78.894162.3-1790000105.8G18 A22G18-V20 VanDerWaalsContact C-N 3.25Å; G18-V20 PolarHBondContact O-N 3.3Å; V20-A22 HydrophobicContact CG1-CB 4.12Å; V20-A22 PolarHBondContact O-N 2.82Å
21L22.7Very low38.6Very low151 Ų151130.6 Ų130.679%0.79177%0.765SS**  trans-72.474.8160.9-79.2165.4000107.3A19 F23A19-L21 PolarHBondContact O-N 3.24Å; L21-F23 PolarHBondContact O-N 3.06Å
22A22.1Very low41.4Very low72 Ų72124.3 Ų124.360%0.59574%0.737SS**  trans-66.2108.915800000105.7V20 P24V20-A22 HydrophobicContact CG1-CB 4.12Å; V20-A22 PolarHBondContact O-N 2.82Å; A22-P24 VanDerWaalsContact O-CD 3.27Å; A22-P24 WeakPolarHBondContact O-CD 3.27Å
23F30.6Very low44.3Very low153 Ų153117.1 Ų117.167%0.67171%0.714SS**  trans-62.5114.4156.3-67.5-82.2000104.9L21 D25L21-F23 PolarHBondContact O-N 3.06Å; F23-D25 PolarHBondContact O-N 3.24Å; F23-D25 VanDerWaalsContact O-N 3.1Å
24P32.9Very low47.1Very low109 Ų109119.5 Ų119.571%0.70872%0.721SS**  trans-60.8123179.125.5-30.5000107.5A22A22-P24 VanDerWaalsContact O-CD 3.27Å; A22-P24 WeakPolarHBondContact O-CD 3.27Å
25D38.7Very low49.8Very low160 Ų160113 Ų11386%0.85672%0.719SS**SBendtrans-56.9135.9161.7-135.8-10.9000107.6F23F23-D25 PolarHBondContact O-N 3.24Å; F23-D25 VanDerWaalsContact O-N 3.1Å
26E42.3Very low52.4Low159 Ų159111 Ų11174%0.74370%0.697SS**SBendtrans77.1129.3-178.7-51.9-143.4129.700118.7
27T47.4Very low55.5Low120 Ų120109.7 Ų109.774%0.73668%0.677SS**  trans73.7114-178.163.90000114.3
28D56.3Low58.3Low153 Ų153103.8 Ų103.882%0.81863%0.634SS**  -151.8115.872.1-80-37.4000112.6G30D28-G30 PolarHBondContact O-N 2.89Å
29L65.6Low61.5Low140 Ų140102.7 Ų102.773%0.73362%0.617SS**  trans-77.2100.1155.3177.868.5000106.6V31L29-V31 HydrophobicContact CD2-CG2 4.47Å; L29-V31 HydrophobicContact CG-CG2 4.32Å; L29-V31 PolarHBondContact O-N 3.22Å
30G81.2Confident64.7Low35 Ų35100.7 Ų100.736%0.36159%0.594SS.*  trans-66.1120.7172.400000110.6D28D28-G30 PolarHBondContact O-N 2.89Å
31V89.9Confident68Low124 Ų12495.4 Ų95.475%0.75256%0.562SS**  trans-111.9113.8172.8179.90000108.3L29L29-V31 HydrophobicContact CD2-CG2 4.47Å; L29-V31 HydrophobicContact CG-CG2 4.32Å; L29-V31 PolarHBondContact O-N 3.22Å
32Y91.9Very high71.4Confident75 Ų7588.5 Ų88.529%0.29453%0.525SS..  trans-100123.4-177.4-59.4-68.9000110.9E36 V40 V41 D44Y32-E36 HydrophobicContact CD1-CB 4.29Å; Y32-E36 HydrophobicContact CD1-CG 4.1Å; Y32-V40 HydrophobicContact CD1-CG1 4.23Å; Y32-V40 HydrophobicContact CE1-CG1 3.79Å; Y32-V41 HydrophobicContact CD1-CG2 4.06Å; Y32-V41 HydrophobicContact CD2-CG2 4.08Å; Y32-V41 HydrophobicContact CE1-CG2 4.33Å; Y32-V41 HydrophobicContact CE2-CG1 4.44Å; Y32-V41 HydrophobicContact CE2-CG2 4.34Å; Y32-V41 HydrophobicContact CG-CG2 3.92Å; Y32-D44 PolarHBondContact OH-OD1 3.01Å; Y32-D44 PolarHBondContact OH-OD2 3.14Å
33G89.9Confident74.8Confident40 Ų4086.2 Ų86.241%0.41251%0.509SS..  trans-74.1168.1172.700000112.3A35 E36G33-A35 PolarHBondContact O-N 3.26Å; G33-A35 VanDerWaalsContact O-N 3.12Å; G33-E36 WeakPolarHBondContact O-CB 3.41Å; G33-E36 PolarHBondContact O-N 2.74Å; G33-E36 VanDerWaalsContact O-N 3.08Å
34P85.6Confident77.7Confident147 Ų14782.4 Ų82.496%0.95550%0.496SS*.THydrogen-bonded Turntrans-67-13.1-178.828.4-36.2000114.5
35A86.4Confident80.6Confident102 Ų10277.2 Ų77.284%0.84346%0.462SS*.THydrogen-bonded Turntrans-95.3-4.2176.800000113G33G33-A35 PolarHBondContact O-N 3.26Å; G33-A35 VanDerWaalsContact O-N 3.12Å
36E89.4Confident83.2Confident93 Ų9374.7 Ų74.744%0.43544%0.44SS..  trans-70.2137.3179.6-73.3-70.3173.700110.9Y32 G33 V40Y32-E36 HydrophobicContact CD1-CB 4.29Å; Y32-E36 HydrophobicContact CD1-CG 4.1Å; G33-E36 WeakPolarHBondContact O-CB 3.41Å; G33-E36 PolarHBondContact O-N 2.74Å; G33-E36 VanDerWaalsContact O-N 3.08Å; E36-V40 WeakPolarHBondContact OE2-CG1 3.49Å
37S90.6Very high85.7Confident45 Ų4570.2 Ų70.232%0.31543%0.425SS..  trans-84.5158.3-180740000111.6S39 V40 V41S37-S39 PolarHBondContact O-N 3.35Å; S37-S39 VanDerWaalsContact O-N 3.14Å; S37-S39 PolarHBondContact OG-OG 2.8Å; S37-V40 PolarHBondContact O-N 2.61Å; S37-V41 PolarHBondContact O-N 3Å
38Q91Very high87.9Confident11 Ų1165.8 Ų65.85%0.05140%0.397CS..Hα-helixtrans-59.4-26.7174.9-62.6-84.451.300112.9V40 F42 Y72 D92 L93Q38-V40 VanDerWaalsContact C-N 3.32Å; Q38-F42 VanDerWaalsContact O-CB 3.28Å; Q38-F42 WeakPolarHBondContact O-CB 3.36Å; Q38-F42 PolarHBondContact O-N 2.83Å; Q38-Y72 HydrophobicContact CG-CE1 4.21Å; Q38-Y72 VanDerWaalsContact NE2-CE1 3.33Å; Q38-Y72 PolarHBondContact NE2-O 3.04Å; Q38-D92 WeakPolarHBondContact CG-O 3.4Å; Q38-D92 PolarHBondContact NE2-O 3.27Å; Q38-L93 VanDerWaalsContact CB-O 3.26Å; Q38-L93 WeakPolarHBondContact CB-O 3.36Å
39S91.1Very high89.7Confident39 Ų3958.5 Ų58.527%0.27336%0.358SS..Hα-helixtrans-66.8-34.6177.676.80000112.6S37 G43S37-S39 PolarHBondContact O-N 3.35Å; S37-S39 VanDerWaalsContact O-N 3.14Å; S37-S39 PolarHBondContact OG-OG 2.8Å; S39-G43 PolarHBondContact O-N 3.26Å
40V91.3Very high91Very high61 Ų6155 Ų5537%0.3734%0.342SS..Hα-helixtrans-72.4-48.5178.9176.90000109.4Y32 E36 S37 Q38 F42 G43Y32-V40 HydrophobicContact CD1-CG1 4.23Å; Y32-V40 HydrophobicContact CE1-CG1 3.79Å; E36-V40 WeakPolarHBondContact OE2-CG1 3.49Å; S37-V40 PolarHBondContact O-N 2.61Å; Q38-V40 VanDerWaalsContact C-N 3.32Å; V40-F42 VanDerWaalsContact C-N 3.25Å; V40-F42 PolarHBondContact O-N 3.09Å; V40-G43 WeakPolarHBondContact O-CA 3.28Å; V40-G43 PolarHBondContact O-N 3.1Å
41V91.8Very high91.5Very high15 Ų1553.6 Ų53.69%0.09133%0.327CS..Hα-helixtrans-58.1-39.3175.2-177.10000111.4Y32 S37 G43 D44 T73 I95 I336Y32-V41 HydrophobicContact CD1-CG2 4.06Å; Y32-V41 HydrophobicContact CD2-CG2 4.08Å; Y32-V41 HydrophobicContact CE1-CG2 4.33Å; Y32-V41 HydrophobicContact CE2-CG1 4.44Å; Y32-V41 HydrophobicContact CE2-CG2 4.34Å; Y32-V41 HydrophobicContact CG-CG2 3.92Å; S37-V41 PolarHBondContact O-N 3Å; V41-G43 PolarHBondContact O-N 2.97Å; V41-D44 PolarHBondContact O-N 3Å; V41-T73 HydrophobicContact CG1-CG2 4.3Å; V41-I95 HydrophobicContact CG1-CD1 4.4Å; V41-I336 HydrophobicContact CG1-CD1 4.39Å
42F94.3Very high91.7Very high5 Ų547.7 Ų47.72%0.02229%0.292CS..Hα-helixtrans-67.6-20.8175.5-176.4-107.2000113.6Q38 V40 D44 V45 R46 L49 R98 A99 E102Q38-F42 VanDerWaalsContact O-CB 3.28Å; Q38-F42 WeakPolarHBondContact O-CB 3.36Å; Q38-F42 PolarHBondContact O-N 2.83Å; V40-F42 VanDerWaalsContact C-N 3.25Å; V40-F42 PolarHBondContact O-N 3.09Å; F42-D44 PolarHBondContact O-N 3.39Å; F42-V45 HydrophobicContact CD2-CB 3.95Å; F42-V45 HydrophobicContact CD2-CG1 4.33Å; F42-V45 HydrophobicContact CD2-CG2 4.47Å; F42-V45 HydrophobicContact CE2-CB 4.13Å; F42-V45 HydrophobicContact CE2-CG1 4.08Å; F42-V45 PolarHBondContact O-N 3.28Å; F42-R46 HydrophobicContact CE1-CB 4.46Å; F42-R46 PolarHBondContact O-N 3.09Å; F42-R46 VanDerWaalsContact O-N 3.11Å; F42-L49 HydrophobicContact CE2-CD1 4.37Å; F42-L49 HydrophobicContact CZ-CD1 3.97Å; F42-R98 HydrophobicContact CD1-CB 4Å; F42-R98 HydrophobicContact CD2-CB 3.55Å; F42-R98 HydrophobicContact CE1-CB 4Å; F42-R98 HydrophobicContact CE2-CB 3.56Å; F42-R98 HydrophobicContact CG-CB 3.77Å; F42-R98 HydrophobicContact CG-CG 4.4Å; F42-R98 HydrophobicContact CZ-CB 3.79Å; F42-R98 WeakPolarHBondContact CZ-O 3.23Å; F42-A99 HydrophobicContact CE2-CB 4.02Å; F42-E102 HydrophobicContact CE1-CB 4.18Å; F42-E102 HydrophobicContact CE1-CG 4.31Å; F42-E102 HydrophobicContact CZ-CB 3.8Å; F42-E102 HydrophobicContact CZ-CG 4.12Å
43G92.8Very high91.6Very high25 Ų2545.8 Ų45.826%0.25829%0.286SS..Hα-helixtrans-52.6-40.717400000112.6S39 V40 V41 V45 P47S39-G43 PolarHBondContact O-N 3.26Å; V40-G43 WeakPolarHBondContact O-CA 3.28Å; V40-G43 PolarHBondContact O-N 3.1Å; V41-G43 PolarHBondContact O-N 2.97Å; G43-V45 VanDerWaalsContact C-N 3.32Å; G43-V45 PolarHBondContact O-N 3.27Å; G43-P47 WeakPolarHBondContact O-CD 3.49Å
44D91.4Very high91.5Very high72 Ų7246.9 Ų46.939%0.38528%0.283SS..Hα-helixtrans-71.4-25.7177.9-70.9-4.7000113.4Y32 V41 F42 L334Y32-D44 PolarHBondContact OH-OD1 3.01Å; Y32-D44 PolarHBondContact OH-OD2 3.14Å; V41-D44 PolarHBondContact O-N 3Å; F42-D44 PolarHBondContact O-N 3.39Å; D44-L334 HydrophobicContact CB-CD2 4.42Å
45V94.2Very high91.7Very high0 Ų040.2 Ų40.20%024%0.241CC..Hα-helixtrans-81.9-32.7-179.1-177.80000111.1F42 G43 L48 L49 V60 I95 L334F42-V45 HydrophobicContact CD2-CB 3.95Å; F42-V45 HydrophobicContact CD2-CG1 4.33Å; F42-V45 HydrophobicContact CD2-CG2 4.47Å; F42-V45 HydrophobicContact CE2-CB 4.13Å; F42-V45 HydrophobicContact CE2-CG1 4.08Å; F42-V45 PolarHBondContact O-N 3.28Å; G43-V45 VanDerWaalsContact C-N 3.32Å; G43-V45 PolarHBondContact O-N 3.27Å; V45-L48 WeakPolarHBondContact O-CA 3.42Å; V45-L48 VanDerWaalsContact O-CB 3.26Å; V45-L48 WeakPolarHBondContact O-CB 3.46Å; V45-L48 PolarHBondContact O-N 3.32Å; V45-L49 PolarHBondContact O-N 3.25Å; V45-V60 HydrophobicContact CG1-CG2 4.18Å; V45-V60 HydrophobicContact CG2-CG1 4.35Å; V45-I95 HydrophobicContact CG1-CG2 4.13Å; V45-I95 HydrophobicContact CG2-CD1 4.07Å; V45-I95 HydrophobicContact CG2-CG1 4.26Å; V45-I95 HydrophobicContact CG2-CG2 4.08Å; V45-L334 HydrophobicContact CG2-CD2 3.91Å
46R93.3Very high91.7Very high107 Ų10737.9 Ų37.940%0.40421%0.21SC..Hα-helixtrans-54.5-47-174.3-175.8-178.7-66.7114.7-1.8113.7F42 L48 L49 T50 E102F42-R46 HydrophobicContact CE1-CB 4.46Å; F42-R46 PolarHBondContact O-N 3.09Å; F42-R46 VanDerWaalsContact O-N 3.11Å; R46-L48 PolarHBondContact O-N 2.71Å; R46-L49 WeakPolarHBondContact O-CB 3.17Å; R46-L49 PolarHBondContact O-N 3.44Å; R46-T50 PolarHBondContact O-N 3.24Å; R46-E102 WeakPolarHBondContact CD-OE1 3.26Å; R46-E102 HydrophobicContact CG-CG 4.34Å; R46-E102 WeakPolarHBondContact CG-OE1 3.08Å; R46-E102 IonicContact NE-OE1 3.81Å; R46-E102 PolarHBondContact NE-OE1 2.76Å
47P93.9Very high91.7Very high66 Ų6634.4 Ų34.443%0.42920%0.195SC..Hα-helixtrans-62.3-25.9177-22.633.8000113.8G43 T50 S51G43-P47 WeakPolarHBondContact O-CD 3.49Å; P47-T50 PolarHBondContact O-N 3.01Å; P47-S51 PolarHBondContact O-N 3.4Å; P47-S51 VanDerWaalsContact O-N 3.1Å; P47-S51 PolarHBondContact O-OG 3.31Å
48L93.8Very high91.9Very high26 Ų2632.2 Ų32.214%0.13618%0.18CC..Hα-helixtrans-71.1-33.5176.2-53.2177.7000111.1V45 R46 S51 L52 V58 V60 K332 L334V45-L48 WeakPolarHBondContact O-CA 3.42Å; V45-L48 VanDerWaalsContact O-CB 3.26Å; V45-L48 WeakPolarHBondContact O-CB 3.46Å; V45-L48 PolarHBondContact O-N 3.32Å; R46-L48 PolarHBondContact O-N 2.71Å; L48-S51 CarbonylContact O-C 3.36Å; L48-S51 WeakPolarHBondContact O-CA 3.01Å; L48-S51 VanDerWaalsContact O-CB 3.3Å; L48-S51 WeakPolarHBondContact O-CB 3.21Å; L48-S51 PolarHBondContact O-N 2.96Å; L48-S51 VanDerWaalsContact O-N 3.15Å; L48-L52 PolarHBondContact O-N 3.06Å; L48-V58 HydrophobicContact CB-CG1 3.67Å; L48-V58 HydrophobicContact CB-CG2 4.31Å; L48-V58 HydrophobicContact CD1-CG1 4.13Å; L48-V58 HydrophobicContact CG-CG1 4.43Å; L48-V58 WeakPolarHBondContact O-CG2 3.26Å; L48-V60 HydrophobicContact CD1-CG2 4.01Å; L48-K332 HydrophobicContact CD2-CB 4.16Å; L48-K332 HydrophobicContact CD2-CD 4.12Å; L48-L334 HydrophobicContact CD1-CB 3.77Å; L48-L334 HydrophobicContact CD1-CD2 3.87Å; L48-L334 HydrophobicContact CD1-CG 4.46Å
49L95.1Very high92Very high0 Ų031.7 Ų31.70%018%0.177CC..Hα-helixtrans-67.1-36.6175.3-57.8179.9000112F42 V45 R46 S51 L52 L53 A99 E102 L106 L264F42-L49 HydrophobicContact CE2-CD1 4.37Å; F42-L49 HydrophobicContact CZ-CD1 3.97Å; V45-L49 PolarHBondContact O-N 3.25Å; R46-L49 WeakPolarHBondContact O-CB 3.17Å; R46-L49 PolarHBondContact O-N 3.44Å; L49-S51 VanDerWaalsContact C-N 3.32Å; L49-L52 WeakPolarHBondContact O-CB 3.48Å; L49-L52 PolarHBondContact O-N 2.91Å; L49-L53 PolarHBondContact O-N 3.48Å; L49-A99 HydrophobicContact CD1-CB 4.15Å; L49-A99 HydrophobicContact CD2-CB 4.31Å; L49-E102 HydrophobicContact CD1-CB 3.82Å; L49-E102 HydrophobicContact CD1-CG 3.66Å; L49-L106 HydrophobicContact CB-CD1 4.08Å; L49-L264 HydrophobicContact CD2-CD1 4.4Å; L49-L264 HydrophobicContact CD2-CD2 3.66Å
50T93Very high92.2Very high66 Ų6629.9 Ų29.941%0.40516%0.164SC..Hα-helixtrans-62-43.3169.7-48.20000110.9R46 P47 L52 L53 D54R46-T50 PolarHBondContact O-N 3.24Å; P47-T50 PolarHBondContact O-N 3.01Å; T50-L52 VanDerWaalsContact C-N 3.28Å; T50-L52 PolarHBondContact O-N 2.89Å; T50-L53 PolarHBondContact O-N 3.17Å; T50-L53 VanDerWaalsContact O-N 3.16Å; T50-D54 PolarHBondContact O-N 2.79Å; T50-D54 VanDerWaalsContact O-N 3.15Å
51S91.5Very high92.4Very high6 Ų627 Ų274%0.04215%0.147CC..Hα-helixtrans-61.5-37.4176.5-55.50000112.5P47 L48 L49 L53 D54 G55 Y56 K332P47-S51 PolarHBondContact O-N 3.4Å; P47-S51 VanDerWaalsContact O-N 3.1Å; P47-S51 PolarHBondContact O-OG 3.31Å; L48-S51 CarbonylContact O-C 3.36Å; L48-S51 WeakPolarHBondContact O-CA 3.01Å; L48-S51 VanDerWaalsContact O-CB 3.3Å; L48-S51 WeakPolarHBondContact O-CB 3.21Å; L48-S51 PolarHBondContact O-N 2.96Å; L48-S51 VanDerWaalsContact O-N 3.15Å; L49-S51 VanDerWaalsContact C-N 3.32Å; S51-L53 VanDerWaalsContact C-N 3.34Å; S51-L53 PolarHBondContact O-N 3.36Å; S51-D54 PolarHBondContact O-N 2.93Å; S51-G55 PolarHBondContact O-N 3.47Å; S51-Y56 WeakPolarHBondContact O-CB 3.42Å; S51-Y56 VanDerWaalsContact O-CD2 3.26Å; S51-Y56 WeakPolarHBondContact O-CD2 3.5Å; S51-Y56 PolarHBondContact O-N 3.42Å; S51-Y56 VanDerWaalsContact O-N 3.13Å; S51-K332 PolarHBondContact OG-NZ 2.7Å
52L92.6Very high92.6Very high1 Ų126.2 Ų26.21%0.00514%0.142CC..Hα-helixtrans-59.5-45.2175.1-179.573.8000111.4L48 L49 T50 D54 G55 Y56 V58 L103 L205 A262 L264L48-L52 PolarHBondContact O-N 3.06Å; L49-L52 WeakPolarHBondContact O-CB 3.48Å; L49-L52 PolarHBondContact O-N 2.91Å; T50-L52 VanDerWaalsContact C-N 3.28Å; T50-L52 PolarHBondContact O-N 2.89Å; L52-D54 PolarHBondContact O-N 2.51Å; L52-G55 PolarHBondContact O-N 3.19Å; L52-Y56 WeakPolarHBondContact CA-O 3.26Å; L52-V58 HydrophobicContact CB-CG2 4.11Å; L52-L103 HydrophobicContact CD2-CD1 4.02Å; L52-L205 HydrophobicContact CD2-CD1 3.74Å; L52-L205 HydrophobicContact CD2-CG 4.17Å; L52-L205 HydrophobicContact CG-CD1 3.69Å; L52-L205 HydrophobicContact CG-CG 4.29Å; L52-A262 HydrophobicContact CD1-CB 3.98Å; L52-A262 WeakPolarHBondContact O-CB 3.3Å; L52-L264 HydrophobicContact CD1-CB 3.81Å; L52-L264 HydrophobicContact CD2-CB 3.6Å; L52-L264 HydrophobicContact CD2-CD2 4.15Å; L52-L264 HydrophobicContact CD2-CG 4.43Å; L52-L264 HydrophobicContact CG-CB 4.31Å
53L91.1Very high92.7Very high35 Ų3526.8 Ų26.818%0.18314%0.144CC..Hα-helixtrans-67.5-21.3177.7-69.3168.3000113.5L49 T50 S51 G55 L103 L106 I107 R113 L205L49-L53 PolarHBondContact O-N 3.48Å; T50-L53 PolarHBondContact O-N 3.17Å; T50-L53 VanDerWaalsContact O-N 3.16Å; S51-L53 VanDerWaalsContact C-N 3.34Å; S51-L53 PolarHBondContact O-N 3.36Å; L53-G55 VanDerWaalsContact C-N 3.28Å; L53-L103 HydrophobicContact CD2-CD1 4.28Å; L53-L103 HydrophobicContact CG-CD1 4.48Å; L53-L106 HydrophobicContact CD1-CB 3.42Å; L53-L106 VanDerWaalsContact CD1-CB 3.42Å; L53-L106 HydrophobicContact CD1-CD1 3.98Å; L53-L106 HydrophobicContact CD1-CG 4.28Å; L53-I107 HydrophobicContact CD2-CG1 3.84Å; L53-R113 PolarHBondContact O-NH1 3.42Å; L53-L205 HydrophobicContact CD2-CD1 3.76Å; L53-L205 HydrophobicContact CG-CD1 4.47Å
54D88Confident92.6Very high63 Ų6325.7 Ų25.734%0.33713%0.133SC..THydrogen-bonded Turntrans-82.6-4.2172.7-72.6-28000113.9T50 S51 L52 Y56 R113 K369T50-D54 PolarHBondContact O-N 2.79Å; T50-D54 VanDerWaalsContact O-N 3.15Å; S51-D54 PolarHBondContact O-N 2.93Å; L52-D54 PolarHBondContact O-N 2.51Å; D54-Y56 HydrophobicContact CB-CD2 4.07Å; D54-Y56 HydrophobicContact CB-CE2 4.04Å; D54-R113 IonicContact OD1-NH1 3.55Å; D54-R113 PolarHBondContact OD1-NH1 3.32Å; D54-K369 VanDerWaalsContact O-CD 3.26Å; D54-K369 WeakPolarHBondContact O-CD 3.22Å; D54-K369 WeakPolarHBondContact O-CE 3.1Å; D54-K369 PolarHBondContact O-NZ 3.48Å
55G88.3Confident92.5Very high7 Ų723 Ų237%0.07212%0.118CC..THydrogen-bonded Turntrans103.210.9175.100000115S51 L52 L53S51-G55 PolarHBondContact O-N 3.47Å; L52-G55 PolarHBondContact O-N 3.19Å; L53-G55 VanDerWaalsContact C-N 3.28Å
56Y87.6Confident92.1Very high52 Ų5224.7 Ų24.720%0.20413%0.129CC..  trans-88.7143177.1-61.4-69.5000111.6S51 L52 D54 A367 K369S51-Y56 WeakPolarHBondContact O-CB 3.42Å; S51-Y56 VanDerWaalsContact O-CD2 3.26Å; S51-Y56 WeakPolarHBondContact O-CD2 3.5Å; S51-Y56 PolarHBondContact O-N 3.42Å; S51-Y56 VanDerWaalsContact O-N 3.13Å; L52-Y56 WeakPolarHBondContact CA-O 3.26Å; D54-Y56 HydrophobicContact CB-CD2 4.07Å; D54-Y56 HydrophobicContact CB-CE2 4.04Å; Y56-A367 HydrophobicContact CD1-CB 3.64Å; Y56-A367 HydrophobicContact CE1-CB 4.05Å; Y56-A367 WeakPolarHBondContact CE1-O 3.18Å; Y56-A367 HydrophobicContact CG-CB 4.44Å; Y56-K369 HydrophobicContact CD1-CG 4.37Å; Y56-K369 HydrophobicContact CE1-CG 3.8Å
57N90.1Very high91.7Very high20 Ų2023.3 Ų23.311%0.10715%0.147CC..EExtended strand (participates in β ladder)trans-72.5145.6166.3-58.1-51.2000109.8R263 D330 A331 K332N57-R263 CarbonylContact C-O 3.52Å; N57-R263 VanDerWaalsContact CA-O 3.32Å; N57-R263 WeakPolarHBondContact CA-O 3.49Å; N57-R263 PolarHBondContact OD1-N 2.84Å; N57-D330 WeakPolarHBondContact CB-O 3.31Å; N57-D330 PolarHBondContact ND2-O 2.81Å; N57-A331 HydrophobicContact CB-CB 3.72Å; N57-A331 CarbonylContact O-C 3.57Å; N57-A331 VanDerWaalsContact O-CA 3.29Å; N57-A331 WeakPolarHBondContact O-CA 3.48Å; N57-K332 PolarHBondContact O-N 2.99Å
58V93.3Very high91.5Very high0 Ų021 Ų210%013%0.133CC..EExtended strand (participates in β ladder)trans-133.6136.8-179.1176.30000108.5L48 L52 V60 R263 L264 Q265 K332L48-V58 HydrophobicContact CB-CG1 3.67Å; L48-V58 HydrophobicContact CB-CG2 4.31Å; L48-V58 HydrophobicContact CD1-CG1 4.13Å; L48-V58 HydrophobicContact CG-CG1 4.43Å; L48-V58 WeakPolarHBondContact O-CG2 3.26Å; L52-V58 HydrophobicContact CB-CG2 4.11Å; V58-V60 HydrophobicContact CG1-CG2 4.21Å; V58-R263 PolarHBondContact N-O 3.28Å; V58-L264 HydrophobicContact CB-CD1 3.87Å; V58-L264 HydrophobicContact CG1-CD1 3.58Å; V58-L264 CarbonylContact O-C 3.53Å; V58-L264 WeakPolarHBondContact O-CA 3.33Å; V58-Q265 PolarHBondContact O-N 2.89Å; V58-K332 CarbonylContact C-O 3.56Å; V58-K332 WeakPolarHBondContact CA-O 3.49Å; V58-K332 HydrophobicContact CG2-CB 4.49Å
59C93.9Very high91.3Very high0 Ų021 Ų210%014%0.14CC..EExtended strand (participates in β ladder)trans-130.5124.4172.4-171.40000109M61 Q265 C326 K332 L333 L334C59-M61 VanDerWaalsContact SG-CE 3.53Å; C59-Q265 CarbonylContact C-O 3.52Å; C59-Q265 WeakPolarHBondContact CA-O 2.97Å; C59-Q265 HydrophobicContact CB-CB 4.41Å; C59-C326 HydrophobicContact CB-CB 3.63Å; C59-K332 PolarHBondContact N-O 2.82Å; C59-L333 HydrophobicContact CB-CD1 3.9Å; C59-L333 CarbonylContact O-C 3.6Å; C59-L333 WeakPolarHBondContact O-CA 3.46Å; C59-L334 PolarHBondContact O-N 3.36Å
60V95.9Very high91.2Very high0 Ų021.5 Ų21.50%014%0.141CC..EExtended strand (participates in β ladder)trans-117.7121.4172-175.50000107V45 L48 V58 I95 Q265 L266 V267 L334 I336V45-V60 HydrophobicContact CG1-CG2 4.18Å; V45-V60 HydrophobicContact CG2-CG1 4.35Å; L48-V60 HydrophobicContact CD1-CG2 4.01Å; V58-V60 HydrophobicContact CG1-CG2 4.21Å; V60-I95 HydrophobicContact CG1-CD1 4.39Å; V60-Q265 PolarHBondContact N-O 3.47Å; V60-L266 HydrophobicContact CB-CD2 4.03Å; V60-L266 HydrophobicContact CG2-CD2 4.3Å; V60-L266 WeakPolarHBondContact O-CA 3.09Å; V60-V267 PolarHBondContact O-N 3.35Å; V60-L334 WeakPolarHBondContact CA-O 3.27Å; V60-L334 HydrophobicContact CG1-CD2 4.13Å; V60-L334 HydrophobicContact CG1-CG 4.42Å; V60-L334 HydrophobicContact CG2-CB 4.35Å; V60-L334 HydrophobicContact CG2-CD2 4.45Å; V60-I336 HydrophobicContact CG1-CD1 3.98Å
61M95.4Very high91.1Very high0 Ų019.2 Ų19.20%013%0.128CC..EExtended strand (participates in β ladder)trans-129.9135.8-178.664.8-178.959.200112.4C59 V267 L323 L327 L333 L334 V335 I336C59-M61 VanDerWaalsContact SG-CE 3.53Å; M61-V267 VanDerWaalsContact CA-O 3.32Å; M61-V267 WeakPolarHBondContact CA-O 3.47Å; M61-V267 HydrophobicContact CB-CB 3.73Å; M61-V267 HydrophobicContact CB-CG1 4.29Å; M61-V267 HydrophobicContact CB-CG2 4.39Å; M61-L323 HydrophobicContact CE-CD1 4.29Å; M61-L327 HydrophobicContact CE-CD2 4.06Å; M61-L333 HydrophobicContact CE-CD1 3.45Å; M61-L333 VanDerWaalsContact CE-CD1 3.45Å; M61-L333 HydrophobicContact CG-CD1 4.18Å; M61-L333 HydrophobicContact SD-CD1 4.06Å; M61-L334 PolarHBondContact N-O 2.95Å; M61-V335 HydrophobicContact CG-CB 4.27Å; M61-V335 HydrophobicContact CG-CG1 4.19Å; M61-V335 HydrophobicContact CG-CG2 3.9Å; M61-V335 WeakPolarHBondContact O-CA 3.18Å; M61-V335 HydrophobicContact SD-CG2 4.02Å; M61-I336 PolarHBondContact O-N 2.6Å
62A95.8Very high91.1Very high0 Ų023.6 Ų23.60%015%0.145CC..EExtended strand (participates in β ladder)trans-95.1128.5170.500000110.6K70 M74 V267 L269 I336A62-K70 HydrophobicContact CB-CB 4.06Å; A62-K70 HydrophobicContact CB-CG 4.36Å; A62-M74 HydrophobicContact CB-CG 3.61Å; A62-M74 HydrophobicContact CB-SD 4.02Å; A62-V267 PolarHBondContact N-O 2.97Å; A62-L269 WeakPolarHBondContact O-CB 3.43Å; A62-L269 WeakPolarHBondContact O-CG 3.39Å; A62-L269 PolarHBondContact O-N 3.01Å; A62-I336 WeakPolarHBondContact CA-O 3.45Å
63Y95Very high91.2Very high17 Ų1724.5 Ų24.57%0.06715%0.15CC..EExtended strand (participates in β ladder)trans-129.5142.7180179.6-85.4000111.1L269 S272 L295 I336 L337 C338 F355Y63-L269 HydrophobicContact CD2-CD1 3.75Å; Y63-L269 HydrophobicContact CG-CD1 4.44Å; Y63-S272 WeakPolarHBondContact OH-CB 3.28Å; Y63-L295 HydrophobicContact CD2-CD2 4.34Å; Y63-L295 HydrophobicContact CE2-CD2 4Å; Y63-I336 PolarHBondContact N-O 2.91Å; Y63-L337 HydrophobicContact CD1-CD2 4Å; Y63-L337 CarbonylContact O-C 3.55Å; Y63-L337 WeakPolarHBondContact O-CA 3.39Å; Y63-C338 PolarHBondContact O-N 2.82Å; Y63-F355 HydrophobicContact CD1-CB 4.35Å; Y63-F355 AromaticContact CD1-CD1 3.81Å; Y63-F355 HydrophobicContact CD1-CD1 3.81Å; Y63-F355 HydrophobicContact CD1-CE1 4.27Å; Y63-F355 HydrophobicContact CD1-CG 4.05Å; Y63-F355 HydrophobicContact CD2-CD1 4.26Å; Y63-F355 HydrophobicContact CD2-CD2 4.41Å; Y63-F355 HydrophobicContact CD2-CE1 4.02Å; Y63-F355 HydrophobicContact CD2-CE2 4.16Å; Y63-F355 HydrophobicContact CD2-CG 4.46Å; Y63-F355 AromaticContact CD2-CZ 3.96Å; Y63-F355 HydrophobicContact CD2-CZ 3.96Å; Y63-F355 HydrophobicContact CE1-CB 3.86Å; Y63-F355 HydrophobicContact CE1-CD1 4.08Å; Y63-F355 HydrophobicContact CE1-CD2 4.28Å; Y63-F355 AromaticContact CE1-CG 3.82Å; Y63-F355 HydrophobicContact CE1-CG 3.82Å; Y63-F355 HydrophobicContact CE2-CD1 4.48Å; Y63-F355 AromaticContact CE2-CD2 3.93Å; Y63-F355 HydrophobicContact CE2-CD2 3.93Å; Y63-F355 HydrophobicContact CE2-CE1 4.48Å; Y63-F355 AromaticContact CE2-CE2 3.93Å; Y63-F355 HydrophobicContact CE2-CE2 3.93Å; Y63-F355 HydrophobicContact CE2-CG 4.22Å; Y63-F355 HydrophobicContact CE2-CZ 4.22Å; Y63-F355 AromaticContact CG-CD1 3.92Å; Y63-F355 HydrophobicContact CG-CD1 3.92Å; Y63-F355 AromaticContact CG-CE1 3.9Å; Y63-F355 HydrophobicContact CG-CE1 3.9Å; Y63-F355 HydrophobicContact CG-CG 4.38Å; Y63-F355 HydrophobicContact CG-CZ 4.32Å; Y63-F355 AromaticContact CZ-CD2 3.88Å; Y63-F355 AromaticContact CZ-CG 3.9Å
64G92.3Very high91.3Very high2 Ų222.8 Ų22.82%0.02114%0.141CC..  trans157.3170.2-179.500000113.2K70 S272 C338G64-K70 WeakPolarHBondContact O-CD 3.47Å; G64-K70 WeakPolarHBondContact O-CE 3.46Å; G64-K70 PolarHBondContact O-NZ 3.15Å; G64-S272 PolarHBondContact O-N 3.1Å; G64-C338 WeakPolarHBondContact CA-O 3.47Å
65Q88.6Confident91.5Very high14 Ų1420.5 Ų20.57%0.06513%0.129CC..SBendtrans-61.7161.6178.164.8168.181.900112.5G67 S68 K70 S272 H345 Q348Q65-G67 PolarHBondContact O-N 3.43Å; Q65-S68 WeakPolarHBondContact O-CB 3.05Å; Q65-S68 PolarHBondContact O-N 3.06Å; Q65-S68 PolarHBondContact O-OG 3.21Å; Q65-K70 VanDerWaalsContact C-NZ 3.34Å; Q65-K70 PolarHBondContact O-NZ 3.21Å; Q65-S272 PolarHBondContact N-OG 2.94Å; Q65-H345 PolarHBondContact NE2-CE1 3.27Å; Q65-H345 PolarHBondContact NE2-ND1 3.15Å; Q65-H345 PolarHBondContact NE2-NE2 3.49Å; Q65-H345 VanDerWaalsContact OE1-CB 3.23Å; Q65-Q348 HydrophobicContact CB-CB 4.12Å; Q65-Q348 HydrophobicContact CB-CG 4.39Å; Q65-Q348 VanDerWaalsContact OE1-CB 3.28Å
66T86.8Confident91.5Very high37 Ų3720.2 Ų20.223%0.22713%0.126CC..THydrogen-bonded Turntrans-55138.1166.9-69.40000111.9S68 S195 G271 E273T66-S68 VanDerWaalsContact C-N 3.29Å; T66-S68 PolarHBondContact O-N 2.86Å; T66-S195 VanDerWaalsContact OG1-CB 3.31Å; T66-S195 WeakPolarHBondContact OG1-CB 3.24Å; T66-G271 WeakPolarHBondContact OG1-CA 3.44Å; T66-E273 WeakPolarHBondContact CB-OE2 3.46Å; T66-E273 PolarHBondContact N-OE2 2.93Å; T66-E273 PolarHBondContact OG1-OE1 3.01Å; T66-E273 PolarHBondContact OG1-OE2 3.05Å
67G84.4Confident91.1Very high77 Ų7720.7 Ų20.779%0.79414%0.135SC*.THydrogen-bonded Turntrans75.45.8-177.800000115.8Q65 G69Q65-G67 PolarHBondContact O-N 3.43Å; G67-G69 VanDerWaalsContact C-N 3.33Å
68S88.9Confident89.8Confident19 Ų1925.8 Ų25.813%0.13316%0.158CC..SBendtrans-80.5-7.7177.757.70000115.1Q65 T66 C338Q65-S68 WeakPolarHBondContact O-CB 3.05Å; Q65-S68 PolarHBondContact O-N 3.06Å; Q65-S68 PolarHBondContact O-OG 3.21Å; T66-S68 VanDerWaalsContact C-N 3.29Å; T66-S68 PolarHBondContact O-N 2.86Å; S68-C338 VanDerWaalsContact CB-O 3.24Å; S68-C338 WeakPolarHBondContact CB-O 3.28Å; S68-C338 WeakPolarHBondContact OG-CB 3.34Å; S68-C338 PolarHBondContact OG-O 3.4Å
69G89.9Confident87.8Confident26 Ų2629.8 Ų29.827%0.26819%0.186SC..SBendtrans101.316.1179.400000116.1G67 Y72 T73G67-G69 VanDerWaalsContact C-N 3.33Å; G69-Y72 PolarHBondContact O-N 3.32Å; G69-T73 WeakPolarHBondContact O-CB 3.48Å; G69-T73 PolarHBondContact O-N 3.18Å; G69-T73 PolarHBondContact O-OG1 3.39Å
70K92.8Very high85.6Confident9 Ų936.7 Ų36.74%0.03922%0.223CC..Hα-helixtrans-54-59.4176-62.4-176.2-62.9-64.90113.2A62 G64 Q65 Y72 T73 M74 D268 L269 C338A62-K70 HydrophobicContact CB-CB 4.06Å; A62-K70 HydrophobicContact CB-CG 4.36Å; G64-K70 WeakPolarHBondContact O-CD 3.47Å; G64-K70 WeakPolarHBondContact O-CE 3.46Å; G64-K70 PolarHBondContact O-NZ 3.15Å; Q65-K70 VanDerWaalsContact C-NZ 3.34Å; Q65-K70 PolarHBondContact O-NZ 3.21Å; K70-Y72 VanDerWaalsContact C-N 3.3Å; K70-Y72 PolarHBondContact O-N 3.15Å; K70-T73 WeakPolarHBondContact O-CB 3.04Å; K70-T73 PolarHBondContact O-N 3.49Å; K70-T73 VanDerWaalsContact O-N 3.1Å; K70-M74 PolarHBondContact O-N 3.16Å; K70-D268 WeakPolarHBondContact CB-OD1 3.4Å; K70-L269 WeakPolarHBondContact CD-O 3.5Å; K70-L269 WeakPolarHBondContact CE-O 3.24Å; K70-C338 HydrophobicContact CG-CB 3.92Å
71S90.8Very high83.2Confident18 Ų1844.4 Ų44.413%0.12626%0.264CS..Hα-helixtrans-66.8-32.8-179.4-480000111.8M74 L75 D268S71-M74 PolarHBondContact O-N 3.2Å; S71-L75 WeakPolarHBondContact O-CB 3.33Å; S71-L75 PolarHBondContact O-N 2.87Å; S71-D268 PolarHBondContact N-OD1 2.95Å; S71-D268 PolarHBondContact OG-OD1 3.27Å; S71-D268 PolarHBondContact OG-OD2 3.41Å
72Y91.4Very high80.8Confident99 Ų9946.3 Ų46.339%0.38828%0.284SS..Hα-helixtrans-61.7-44.7170.5-179.1-92.5000111.4Q38 G69 K70 M74 G76Q38-Y72 HydrophobicContact CG-CE1 4.21Å; Q38-Y72 VanDerWaalsContact NE2-CE1 3.33Å; Q38-Y72 PolarHBondContact NE2-O 3.04Å; G69-Y72 PolarHBondContact O-N 3.32Å; K70-Y72 VanDerWaalsContact C-N 3.3Å; K70-Y72 PolarHBondContact O-N 3.15Å; Y72-M74 PolarHBondContact O-N 3.36Å; Y72-G76 WeakPolarHBondContact O-CA 3.25Å; Y72-G76 PolarHBondContact O-N 3.3Å
73T94.2Very high78.5Confident19 Ų1951.5 Ų51.512%0.11732%0.317CS..Hα-helixtrans-63.1-42.8177.1-56.70000111.4V41 G69 K70 G94 I95 I336V41-T73 HydrophobicContact CG1-CG2 4.3Å; G69-T73 WeakPolarHBondContact O-CB 3.48Å; G69-T73 PolarHBondContact O-N 3.18Å; G69-T73 PolarHBondContact O-OG1 3.39Å; K70-T73 WeakPolarHBondContact O-CB 3.04Å; K70-T73 PolarHBondContact O-N 3.49Å; K70-T73 VanDerWaalsContact O-N 3.1Å; T73-G94 CarbonylContact O-C 3.58Å; T73-G94 VanDerWaalsContact O-CA 3.3Å; T73-G94 WeakPolarHBondContact O-CA 3.19Å; T73-I95 HydrophobicContact CG2-CD1 3.8Å; T73-I95 WeakPolarHBondContact O-CG1 3.44Å; T73-I95 PolarHBondContact O-N 3.37Å; T73-I336 HydrophobicContact CG2-CD1 4.22Å; T73-I336 HydrophobicContact CG2-CG2 4.08Å
74M95.1Very high76.4Confident0 Ų053.7 Ų53.70%033%0.332CS..Hα-helixtrans-78.5-41.5-175.8-67.5-60.2-68.700113.3A62 K70 S71 Y72 G94 I95 I96 L266 D268A62-M74 HydrophobicContact CB-CG 3.61Å; A62-M74 HydrophobicContact CB-SD 4.02Å; K70-M74 PolarHBondContact O-N 3.16Å; S71-M74 PolarHBondContact O-N 3.2Å; Y72-M74 PolarHBondContact O-N 3.36Å; M74-G94 CarbonylContact O-C 3.55Å; M74-I95 PolarHBondContact O-N 2.89Å; M74-I95 VanDerWaalsContact O-N 3.14Å; M74-I95 HydrophobicContact SD-CB 4.41Å; M74-I95 HydrophobicContact SD-CD1 4.16Å; M74-I96 HydrophobicContact CB-CD1 3.92Å; M74-I96 HydrophobicContact CE-CD1 4.17Å; M74-I96 HydrophobicContact CE-CG1 4.08Å; M74-I96 VanDerWaalsContact O-CB 3.27Å; M74-I96 WeakPolarHBondContact O-CB 3.48Å; M74-I96 WeakPolarHBondContact O-CD1 3.27Å; M74-I96 VanDerWaalsContact O-CG1 3.28Å; M74-I96 WeakPolarHBondContact O-CG1 3.46Å; M74-I96 PolarHBondContact O-N 3.49Å; M74-L266 HydrophobicContact CE-CB 3.83Å; M74-D268 HydrophobicContact CB-CB 4.24Å; M74-D268 HydrophobicContact CG-CB 4.08Å
75L90.8Very high74.4Confident15 Ų1559.7 Ų59.78%0.07936%0.363CS..Hα-helixtrans-110.6-32.5-173.9-68.6163.2000113.1S71 G94 I96 V176 L180S71-L75 WeakPolarHBondContact O-CB 3.33Å; S71-L75 PolarHBondContact O-N 2.87Å; L75-G94 PolarHBondContact O-N 3.11Å; L75-I96 HydrophobicContact CD2-CB 4.29Å; L75-I96 HydrophobicContact CD2-CD1 3.53Å; L75-I96 HydrophobicContact CD2-CG2 4.46Å; L75-I96 HydrophobicContact CG-CD1 3.9Å; L75-V176 HydrophobicContact CD2-CG1 4.01Å; L75-L180 HydrophobicContact CD1-CD1 3.76Å; L75-L180 HydrophobicContact CD1-CD2 3.82Å; L75-L180 HydrophobicContact CD1-CG 4.45Å; L75-L180 HydrophobicContact CD2-CD1 3.85Å; L75-L180 HydrophobicContact CG-CD1 4.45Å
76G87.9Confident72.6Confident1 Ų164.6 Ų64.61%0.0140%0.397CS..  trans90.5-170.1-167.600000111.9Y72 H78 D92Y72-G76 WeakPolarHBondContact O-CA 3.25Å; Y72-G76 PolarHBondContact O-N 3.3Å; G76-H78 PolarHBondContact O-N 2.72Å; G76-D92 VanDerWaalsContact CA-O 3.28Å; G76-D92 WeakPolarHBondContact CA-O 3.17Å
77P80.8Confident71.3Confident62 Ų6265.4 Ų65.440%0.40340%0.399SS..SBendtrans-63.7136.5175.326.5-31.4000110.2S79 D92P77-S79 PolarHBondContact O-N 3.44Å; P77-D92 WeakPolarHBondContact CD-O 3.29Å; P77-D92 HydrophobicContact CG-CB 3.69Å
78H61.6Low70.2Confident126 Ų12666.1 Ų66.158%0.58339%0.385SS*.  trans-70.689.8173.4-61.8-64.4000109.4G76 D80G76-H78 PolarHBondContact O-N 2.72Å; H78-D80 PolarHBondContact O-N 2.96Å
79S51.3Low68.7Low84 Ų8469.4 Ų69.459%0.58741%0.406SS*.  trans-84.396.6163.3530000108P77 D81P77-S79 PolarHBondContact O-N 3.44Å; S79-D81 PolarHBondContact O-N 2.98Å
80D48.4Very low67.4Low146 Ų14675.9 Ų75.978%0.78143%0.429SS*.SBendtrans-65.2-18.4176-97.2-26.2000112.9H78H78-D80 PolarHBondContact O-N 2.96Å
81D44.6Very low66.7Low162 Ų16277.2 Ų77.287%0.86644%0.44SS*.SBendtrans-129.298.1-179.1-84.9-40.8000111.4S79S79-D81 PolarHBondContact O-N 2.98Å
82G45.6Very low66.4Low39 Ų3980.2 Ų80.240%0.40245%0.454SS..  trans171.5138.3164.900000113.8V84G82-V84 PolarHBondContact O-N 3.17Å
83P47.1Very low66.3Low109 Ų10977 Ų7771%0.70844%0.444SS*.  trans-57.4140.3163.825.5-30.7000108.7L85P83-L85 VanDerWaalsContact C-N 3.26Å; P83-L85 HydrophobicContact CG-CD2 4.49Å; P83-L85 PolarHBondContact O-N 3.21Å
84V50.8Low66.2Low63 Ų6376.2 Ų76.238%0.38244%0.439SS..  trans-65.394.4171.5-177.10000106.3G82G82-V84 PolarHBondContact O-N 3.17Å
85L50.8Low66.3Low128 Ų12876.2 Ų76.267%0.6744%0.439SS*.  trans-68.3160.5170.8-68.2177.8000108.8P83 L87P83-L85 VanDerWaalsContact C-N 3.26Å; P83-L85 HydrophobicContact CG-CD2 4.49Å; P83-L85 PolarHBondContact O-N 3.21Å; L85-L87 PolarHBondContact O-N 3.46Å
86P51.6Low66.5Low118 Ų11875.6 Ų75.677%0.76644%0.436SS*.  trans-49.8137.6179-23.631.9000110.9D88P86-D88 PolarHBondContact O-N 3.39Å
87L58.5Low66.9Low54 Ų5475.8 Ų75.828%0.28344%0.437SS..  trans-52.6101.9177.2-86.8162.3000110.5L85 L93 R98 E101L85-L87 PolarHBondContact O-N 3.46Å; L87-L93 HydrophobicContact CD2-CB 4.08Å; L87-L93 HydrophobicContact CD2-CD1 3.59Å; L87-L93 HydrophobicContact CD2-CG 4.48Å; L87-L93 HydrophobicContact CG-CD1 4.4Å; L87-R98 HydrophobicContact CD1-CG 4.45Å; L87-R98 HydrophobicContact CD2-CG 3.78Å; L87-E101 HydrophobicContact CD1-CB 3.37Å; L87-E101 HydrophobicContact CD1-CG 3.42Å; L87-E101 VanDerWaalsContact CD1-CG 3.42Å; L87-E101 HydrophobicContact CG-CG 4.2Å
88D60.7Low67.5Low91 Ų9173.6 Ų73.649%0.48742%0.42SS..  trans-70.5132.1163.2-172.6-21.7000107.9P86 Q90 S91P86-D88 PolarHBondContact O-N 3.39Å; D88-Q90 PolarHBondContact O-N 3.29Å; D88-Q90 VanDerWaalsContact O-N 3.1Å; D88-Q90 WeakPolarHBondContact OD1-CB 2.93Å; D88-Q90 PolarHBondContact OD1-N 2.89Å; D88-S91 WeakPolarHBondContact O-CB 2.97Å; D88-S91 PolarHBondContact O-N 3.06Å
89P58.7Low69.2Low89 Ų8967.7 Ų67.758%0.57839%0.393SS*.THydrogen-bonded Turntrans-47.8-31.6168.3-29.435.2000114S91P89-S91 VanDerWaalsContact C-N 3.3Å
90Q61.5Low71.3Confident162 Ų16263.8 Ų63.876%0.75737%0.366SS*.THydrogen-bonded Turntrans-82.1-2.5176.8-61.1-62.9-28.900114.1D88D88-Q90 PolarHBondContact O-N 3.29Å; D88-Q90 VanDerWaalsContact O-N 3.1Å; D88-Q90 WeakPolarHBondContact OD1-CB 2.93Å; D88-Q90 PolarHBondContact OD1-N 2.89Å
91S78.8Confident73.5Confident37 Ų3760 Ų6026%0.25934%0.343SS..  trans-69.6138179.3-174.20000111.6D88 P89 L93 R98D88-S91 WeakPolarHBondContact O-CB 2.97Å; D88-S91 PolarHBondContact O-N 3.06Å; P89-S91 VanDerWaalsContact C-N 3.3Å; S91-L93 PolarHBondContact O-N 3.2Å; S91-L93 WeakPolarHBondContact OG-CD1 3.44Å; S91-L93 VanDerWaalsContact OG-CG 3.23Å; S91-L93 WeakPolarHBondContact OG-CG 3.32Å; S91-L93 PolarHBondContact OG-N 3.33Å; S91-R98 PolarHBondContact O-NH2 3.45Å
92D83.4Confident75.9Confident80 Ų8053.2 Ų53.243%0.42831%0.307SS..  trans-79.510.9175.8-73-29.1000113.9Q38 G76 P77 G94Q38-D92 WeakPolarHBondContact CG-O 3.4Å; Q38-D92 PolarHBondContact NE2-O 3.27Å; G76-D92 VanDerWaalsContact CA-O 3.28Å; G76-D92 WeakPolarHBondContact CA-O 3.17Å; P77-D92 WeakPolarHBondContact CD-O 3.29Å; P77-D92 HydrophobicContact CG-CB 3.69Å; D92-G94 PolarHBondContact O-N 2.78Å
93L89.8Confident78.3Confident33 Ų3351.4 Ų51.417%0.17329%0.288CS..  trans-55.6137.3176.3-74.4173.8000111.6Q38 L87 S91 P97 R98Q38-L93 VanDerWaalsContact CB-O 3.26Å; Q38-L93 WeakPolarHBondContact CB-O 3.36Å; L87-L93 HydrophobicContact CD2-CB 4.08Å; L87-L93 HydrophobicContact CD2-CD1 3.59Å; L87-L93 HydrophobicContact CD2-CG 4.48Å; L87-L93 HydrophobicContact CG-CD1 4.4Å; S91-L93 PolarHBondContact O-N 3.2Å; S91-L93 WeakPolarHBondContact OG-CD1 3.44Å; S91-L93 VanDerWaalsContact OG-CG 3.23Å; S91-L93 WeakPolarHBondContact OG-CG 3.32Å; S91-L93 PolarHBondContact OG-N 3.33Å; L93-P97 HydrophobicContact CB-CB 4.43Å; L93-P97 HydrophobicContact CB-CG 3.87Å; L93-P97 HydrophobicContact CD1-CB 4.5Å; L93-P97 HydrophobicContact CD2-CB 4.29Å; L93-P97 HydrophobicContact CD2-CG 3.97Å; L93-P97 HydrophobicContact CG-CG 4.39Å; L93-R98 WeakPolarHBondContact O-CD 3.43Å; L93-R98 PolarHBondContact O-NE 3.37Å
94G93.3Very high80.6Confident1 Ų147.6 Ų47.61%0.0126%0.26CS..  trans-82.3-167.9-176.500000114.3T73 M74 L75 D92 I96 P97 R98T73-G94 CarbonylContact O-C 3.58Å; T73-G94 VanDerWaalsContact O-CA 3.3Å; T73-G94 WeakPolarHBondContact O-CA 3.19Å; M74-G94 CarbonylContact O-C 3.55Å; L75-G94 PolarHBondContact O-N 3.11Å; D92-G94 PolarHBondContact O-N 2.78Å; G94-I96 PolarHBondContact O-N 3.14Å; G94-P97 WeakPolarHBondContact O-CD 3.26Å; G94-P97 WeakPolarHBondContact O-CG 3.36Å; G94-R98 WeakPolarHBondContact O-CB 3.35Å; G94-R98 WeakPolarHBondContact O-CD 3.49Å; G94-R98 VanDerWaalsContact O-CG 3.23Å; G94-R98 WeakPolarHBondContact O-CG 3.36Å; G94-R98 PolarHBondContact O-N 2.97Å
95I95.8Very high82.7Confident1 Ų149.1 Ų49.11%0.00526%0.259CS..Hα-helixtrans-62-42.3-176.1-68.9169.1000113V41 V45 V60 T73 M74 R98 A99 L266 I336V41-I95 HydrophobicContact CG1-CD1 4.4Å; V45-I95 HydrophobicContact CG1-CG2 4.13Å; V45-I95 HydrophobicContact CG2-CD1 4.07Å; V45-I95 HydrophobicContact CG2-CG1 4.26Å; V45-I95 HydrophobicContact CG2-CG2 4.08Å; V60-I95 HydrophobicContact CG1-CD1 4.39Å; T73-I95 HydrophobicContact CG2-CD1 3.8Å; T73-I95 WeakPolarHBondContact O-CG1 3.44Å; T73-I95 PolarHBondContact O-N 3.37Å; M74-I95 PolarHBondContact O-N 2.89Å; M74-I95 VanDerWaalsContact O-N 3.14Å; M74-I95 HydrophobicContact SD-CB 4.41Å; M74-I95 HydrophobicContact SD-CD1 4.16Å; I95-R98 PolarHBondContact O-N 3.45Å; I95-A99 WeakPolarHBondContact O-CB 3.5Å; I95-A99 PolarHBondContact O-N 2.85Å; I95-L266 HydrophobicContact CG2-CD2 4.23Å; I95-I336 HydrophobicContact CD1-CD1 3.16Å
96I96.1Very high84.7Confident2 Ų244 Ų441%0.0123%0.232CC..Hα-helixtrans-60.8-57-176.4-66.5159.4000111.9M74 L75 G94 R98 A99 A100 M173 V176 I201 L266M74-I96 HydrophobicContact CB-CD1 3.92Å; M74-I96 HydrophobicContact CE-CD1 4.17Å; M74-I96 HydrophobicContact CE-CG1 4.08Å; M74-I96 VanDerWaalsContact O-CB 3.27Å; M74-I96 WeakPolarHBondContact O-CB 3.48Å; M74-I96 WeakPolarHBondContact O-CD1 3.27Å; M74-I96 VanDerWaalsContact O-CG1 3.28Å; M74-I96 WeakPolarHBondContact O-CG1 3.46Å; M74-I96 PolarHBondContact O-N 3.49Å; L75-I96 HydrophobicContact CD2-CB 4.29Å; L75-I96 HydrophobicContact CD2-CD1 3.53Å; L75-I96 HydrophobicContact CD2-CG2 4.46Å; L75-I96 HydrophobicContact CG-CD1 3.9Å; G94-I96 PolarHBondContact O-N 3.14Å; I96-R98 VanDerWaalsContact C-N 3.31Å; I96-R98 PolarHBondContact O-N 3.49Å; I96-A99 PolarHBondContact O-N 2.89Å; I96-A100 WeakPolarHBondContact O-CB 3.26Å; I96-A100 PolarHBondContact O-N 3.38Å; I96-M173 HydrophobicContact CG2-SD 3.99Å; I96-V176 HydrophobicContact CG2-CG1 4.38Å; I96-V176 HydrophobicContact CG2-CG2 4.31Å; I96-I201 HydrophobicContact CD1-CD1 3.66Å; I96-I201 HydrophobicContact CG1-CD1 4.22Å; I96-I201 HydrophobicContact CG2-CD1 4.05Å; I96-L266 HydrophobicContact CB-CD1 4.32Å; I96-L266 HydrophobicContact CG1-CB 4.06Å; I96-L266 HydrophobicContact CG1-CD1 3.86Å; I96-L266 HydrophobicContact CG2-CD1 4.38Å
97P94.8Very high86.7Confident5 Ų539.6 Ų39.63%0.03220%0.202CC..Hα-helixtrans-62.3-37.1177.621.8-32.4000112.8L93 G94 A100 E101 M173L93-P97 HydrophobicContact CB-CB 4.43Å; L93-P97 HydrophobicContact CB-CG 3.87Å; L93-P97 HydrophobicContact CD1-CB 4.5Å; L93-P97 HydrophobicContact CD2-CB 4.29Å; L93-P97 HydrophobicContact CD2-CG 3.97Å; L93-P97 HydrophobicContact CG-CG 4.39Å; G94-P97 WeakPolarHBondContact O-CD 3.26Å; G94-P97 WeakPolarHBondContact O-CG 3.36Å; P97-A100 WeakPolarHBondContact O-CB 3.49Å; P97-A100 PolarHBondContact O-N 3.1Å; P97-E101 PolarHBondContact O-N 2.88Å; P97-M173 HydrophobicContact CB-CE 3.92Å; P97-M173 HydrophobicContact CB-SD 3.97Å; P97-M173 HydrophobicContact CG-CE 4.49Å
98R94.7Very high88.3Confident16 Ų1640.9 Ų40.96%0.0622%0.216CC..Hα-helixtrans-66.3-42.2176.4-70.3175.7179.8-79.82.7112.5F42 L87 S91 L93 G94 I95 I96 A100 E102F42-R98 HydrophobicContact CD1-CB 4Å; F42-R98 HydrophobicContact CD2-CB 3.55Å; F42-R98 HydrophobicContact CE1-CB 4Å; F42-R98 HydrophobicContact CE2-CB 3.56Å; F42-R98 HydrophobicContact CG-CB 3.77Å; F42-R98 HydrophobicContact CG-CG 4.4Å; F42-R98 HydrophobicContact CZ-CB 3.79Å; F42-R98 WeakPolarHBondContact CZ-O 3.23Å; L87-R98 HydrophobicContact CD1-CG 4.45Å; L87-R98 HydrophobicContact CD2-CG 3.78Å; S91-R98 PolarHBondContact O-NH2 3.45Å; L93-R98 WeakPolarHBondContact O-CD 3.43Å; L93-R98 PolarHBondContact O-NE 3.37Å; G94-R98 WeakPolarHBondContact O-CB 3.35Å; G94-R98 WeakPolarHBondContact O-CD 3.49Å; G94-R98 VanDerWaalsContact O-CG 3.23Å; G94-R98 WeakPolarHBondContact O-CG 3.36Å; G94-R98 PolarHBondContact O-N 2.97Å; I95-R98 PolarHBondContact O-N 3.45Å; I96-R98 VanDerWaalsContact C-N 3.31Å; I96-R98 PolarHBondContact O-N 3.49Å; R98-A100 VanDerWaalsContact C-N 3.33Å; R98-E102 VanDerWaalsContact O-CB 3.24Å; R98-E102 WeakPolarHBondContact O-CB 3.38Å; R98-E102 PolarHBondContact O-N 3.13Å
99A96.7Very high89.7Confident1 Ų141.6 Ų41.61%0.00822%0.216CC..Hα-helixtrans-66.7-36.6177.500000111.5F42 L49 I95 I96 L103 L266F42-A99 HydrophobicContact CE2-CB 4.02Å; L49-A99 HydrophobicContact CD1-CB 4.15Å; L49-A99 HydrophobicContact CD2-CB 4.31Å; I95-A99 WeakPolarHBondContact O-CB 3.5Å; I95-A99 PolarHBondContact O-N 2.85Å; I96-A99 PolarHBondContact O-N 2.89Å; A99-L103 WeakPolarHBondContact O-CB 3.28Å; A99-L103 PolarHBondContact O-N 3.34Å; A99-L266 HydrophobicContact CB-CD1 4.33Å
100A95.8Very high90.9Very high3 Ų341.5 Ų41.53%0.02521%0.211CC..Hα-helixtrans-58-57.3174.300000111I96 P97 R98 E102 L103 F104 A169 L172 M173I96-A100 WeakPolarHBondContact O-CB 3.26Å; I96-A100 PolarHBondContact O-N 3.38Å; P97-A100 WeakPolarHBondContact O-CB 3.49Å; P97-A100 PolarHBondContact O-N 3.1Å; R98-A100 VanDerWaalsContact C-N 3.33Å; A100-E102 PolarHBondContact O-N 2.64Å; A100-L103 PolarHBondContact O-N 2.72Å; A100-F104 VanDerWaalsContact O-CD2 3.28Å; A100-F104 WeakPolarHBondContact O-CD2 3.1Å; A100-F104 PolarHBondContact O-N 3.35Å; A100-F104 VanDerWaalsContact O-N 3.13Å; A100-A169 HydrophobicContact CB-CB 4.08Å; A100-L172 HydrophobicContact CB-CD2 3.5Å; A100-M173 HydrophobicContact CB-CG 4.28Å; A100-M173 HydrophobicContact CB-SD 4.29Å
101E94.4Very high91.5Very high65 Ų6538.2 Ų38.230%0.30420%0.203SC..Hα-helixtrans-62.2-45.8-178.6-68.2-66.2164.200111.9L87 P97 L103 F104 R105 A169L87-E101 HydrophobicContact CD1-CB 3.37Å; L87-E101 HydrophobicContact CD1-CG 3.42Å; L87-E101 VanDerWaalsContact CD1-CG 3.42Å; L87-E101 HydrophobicContact CG-CG 4.2Å; P97-E101 PolarHBondContact O-N 2.88Å; E101-L103 PolarHBondContact O-N 2.76Å; E101-F104 PolarHBondContact O-N 3.28Å; E101-R105 WeakPolarHBondContact O-CB 3.48Å; E101-R105 PolarHBondContact O-N 2.81Å; E101-A169 HydrophobicContact CB-CB 4.49Å; E101-A169 HydrophobicContact CG-CB 4.03Å; E101-A169 WeakPolarHBondContact OE1-CB 3.42Å
102E95.3Very high91.1Very high20 Ų2041.7 Ų41.79%0.09323%0.228CC..Hα-helixtrans-64.3-40.3179.6-177.467.1171.100112.4F42 R46 L49 R98 A100 R105 L106F42-E102 HydrophobicContact CE1-CB 4.18Å; F42-E102 HydrophobicContact CE1-CG 4.31Å; F42-E102 HydrophobicContact CZ-CB 3.8Å; F42-E102 HydrophobicContact CZ-CG 4.12Å; R46-E102 WeakPolarHBondContact CD-OE1 3.26Å; R46-E102 HydrophobicContact CG-CG 4.34Å; R46-E102 WeakPolarHBondContact CG-OE1 3.08Å; R46-E102 IonicContact NE-OE1 3.81Å; R46-E102 PolarHBondContact NE-OE1 2.76Å; L49-E102 HydrophobicContact CD1-CB 3.82Å; L49-E102 HydrophobicContact CD1-CG 3.66Å; R98-E102 VanDerWaalsContact O-CB 3.24Å; R98-E102 WeakPolarHBondContact O-CB 3.38Å; R98-E102 PolarHBondContact O-N 3.13Å; A100-E102 PolarHBondContact O-N 2.64Å; E102-R105 PolarHBondContact O-N 3.13Å; E102-R105 IonicContact OE1-CZ 3.14Å; E102-R105 IonicContact OE1-NE 2.69Å; E102-R105 IonicContact OE1-NH2 3.73Å; E102-R105 PolarHBondContact OE1-NH2 2.87Å; E102-R105 IonicContact OE2-CZ 3.04Å; E102-R105 IonicContact OE2-NE 2.72Å; E102-R105 PolarHBondContact OE2-NE 3.37Å; E102-R105 IonicContact OE2-NH2 2.62Å; E102-R105 PolarHBondContact OE2-NH2 3.18Å; E102-L106 HydrophobicContact CG-CD1 4.15Å; E102-L106 WeakPolarHBondContact O-CB 3.23Å; E102-L106 VanDerWaalsContact O-CG 3.28Å; E102-L106 WeakPolarHBondContact O-CG 3.47Å; E102-L106 PolarHBondContact O-N 2.8Å
103L95.6Very high90.6Very high2 Ų243.9 Ų43.91%0.0123%0.23CC..Hα-helixtrans-61.3-48.8177.1176.161.5000111.1L52 L53 A99 A100 E101 R105 L106 I107 V203 L205L52-L103 HydrophobicContact CD2-CD1 4.02Å; L53-L103 HydrophobicContact CD2-CD1 4.28Å; L53-L103 HydrophobicContact CG-CD1 4.48Å; A99-L103 WeakPolarHBondContact O-CB 3.28Å; A99-L103 PolarHBondContact O-N 3.34Å; A100-L103 PolarHBondContact O-N 2.72Å; E101-L103 PolarHBondContact O-N 2.76Å; L103-R105 VanDerWaalsContact C-N 3.33Å; L103-R105 PolarHBondContact O-N 3.42Å; L103-L106 PolarHBondContact O-N 2.83Å; L103-I107 HydrophobicContact CD1-CD1 3.97Å; L103-I107 HydrophobicContact CD1-CG1 4.37Å; L103-I107 HydrophobicContact CG-CD1 3.9Å; L103-I107 VanDerWaalsContact O-CG1 3.25Å; L103-I107 WeakPolarHBondContact O-CG1 3.5Å; L103-I107 PolarHBondContact O-N 2.89Å; L103-V203 HydrophobicContact CD2-CG1 3.89Å; L103-L205 HydrophobicContact CD1-CD1 4.25Å; L103-L205 HydrophobicContact CD2-CD2 4.5Å
104F95.2Very high90.1Very high28 Ų2846.6 Ų46.612%0.12325%0.252CS..Hα-helixtrans-70.3-29.3179.8-79.5-78.4000112.8A100 E101 I107 S108 V117 V166 G167 S168 A169 L172A100-F104 VanDerWaalsContact O-CD2 3.28Å; A100-F104 WeakPolarHBondContact O-CD2 3.1Å; A100-F104 PolarHBondContact O-N 3.35Å; A100-F104 VanDerWaalsContact O-N 3.13Å; E101-F104 PolarHBondContact O-N 3.28Å; F104-I107 HydrophobicContact CD1-CD1 4.48Å; F104-S108 WeakPolarHBondContact O-CB 3.49Å; F104-S108 PolarHBondContact O-N 3.1Å; F104-S108 PolarHBondContact O-OG 3.12Å; F104-V117 HydrophobicContact CE1-CG2 4.26Å; F104-V117 HydrophobicContact CZ-CB 4.41Å; F104-V117 HydrophobicContact CZ-CG1 4.2Å; F104-V117 HydrophobicContact CZ-CG2 4.41Å; F104-V166 HydrophobicContact CZ-CB 4.39Å; F104-V166 HydrophobicContact CZ-CG2 3.89Å; F104-G167 VanDerWaalsContact CE1-C 3.44Å; F104-S168 WeakPolarHBondContact CE2-O 3.37Å; F104-A169 HydrophobicContact CB-CB 4.41Å; F104-A169 VanDerWaalsContact CD2-CA 3.48Å; F104-A169 HydrophobicContact CD2-CB 3.82Å; F104-A169 HydrophobicContact CG-CB 4.42Å; F104-L172 HydrophobicContact CE2-CB 4.37Å; F104-L172 HydrophobicContact CE2-CD1 4.49Å
105R94.9Very high90Very high95 Ų9547.3 Ų47.336%0.35826%0.257SS..Hα-helixtrans-62.4-49.4168.6-172.1-169.368.272.24.7111.5E101 E102 L103 I107 S108 E109E101-R105 WeakPolarHBondContact O-CB 3.48Å; E101-R105 PolarHBondContact O-N 2.81Å; E102-R105 PolarHBondContact O-N 3.13Å; E102-R105 IonicContact OE1-CZ 3.14Å; E102-R105 IonicContact OE1-NE 2.69Å; E102-R105 IonicContact OE1-NH2 3.73Å; E102-R105 PolarHBondContact OE1-NH2 2.87Å; E102-R105 IonicContact OE2-CZ 3.04Å; E102-R105 IonicContact OE2-NE 2.72Å; E102-R105 PolarHBondContact OE2-NE 3.37Å; E102-R105 IonicContact OE2-NH2 2.62Å; E102-R105 PolarHBondContact OE2-NH2 3.18Å; L103-R105 VanDerWaalsContact C-N 3.33Å; L103-R105 PolarHBondContact O-N 3.42Å; R105-I107 VanDerWaalsContact C-N 3.3Å; R105-I107 PolarHBondContact O-N 3.43Å; R105-S108 PolarHBondContact O-N 3.02Å; R105-S108 PolarHBondContact O-OG 2.99Å; R105-E109 IonicContact CZ-OE1 2.85Å; R105-E109 IonicContact CZ-OE2 3.6Å; R105-E109 IonicContact NH1-OE1 2.87Å; R105-E109 PolarHBondContact NH1-OE1 2.85Å; R105-E109 IonicContact NH1-OE2 2.65Å; R105-E109 PolarHBondContact NH1-OE2 2.87Å; R105-E109 WeakPolarHBondContact O-CG 3.33Å; R105-E109 PolarHBondContact O-N 3.08Å
106L93.3Very high89.9Confident20 Ų2052.5 Ų52.511%0.10528%0.279CS..Hα-helixtrans-65.3-33.9179.5-69.8170.3000112.6L49 L53 E102 L103 N110L49-L106 HydrophobicContact CB-CD1 4.08Å; L53-L106 HydrophobicContact CD1-CB 3.42Å; L53-L106 VanDerWaalsContact CD1-CB 3.42Å; L53-L106 HydrophobicContact CD1-CD1 3.98Å; L53-L106 HydrophobicContact CD1-CG 4.28Å; E102-L106 HydrophobicContact CG-CD1 4.15Å; E102-L106 WeakPolarHBondContact O-CB 3.23Å; E102-L106 VanDerWaalsContact O-CG 3.28Å; E102-L106 WeakPolarHBondContact O-CG 3.47Å; E102-L106 PolarHBondContact O-N 2.8Å; L103-L106 PolarHBondContact O-N 2.83Å; L106-N110 PolarHBondContact O-N 2.94Å; L106-N110 PolarHBondContact O-ND2 3.3Å
107I92.9Very high89.9Confident26 Ų2652.7 Ų52.713%0.13328%0.28CS..Hα-helixtrans-66.6-43.8174-71.1167.2000110.8L53 L103 F104 R105 E109 N110 P115 V117 L205L53-I107 HydrophobicContact CD2-CG1 3.84Å; L103-I107 HydrophobicContact CD1-CD1 3.97Å; L103-I107 HydrophobicContact CD1-CG1 4.37Å; L103-I107 HydrophobicContact CG-CD1 3.9Å; L103-I107 VanDerWaalsContact O-CG1 3.25Å; L103-I107 WeakPolarHBondContact O-CG1 3.5Å; L103-I107 PolarHBondContact O-N 2.89Å; F104-I107 HydrophobicContact CD1-CD1 4.48Å; R105-I107 VanDerWaalsContact C-N 3.3Å; R105-I107 PolarHBondContact O-N 3.43Å; I107-E109 VanDerWaalsContact C-N 3.29Å; I107-E109 PolarHBondContact O-N 2.97Å; I107-N110 CarbonylContact O-C 3.53Å; I107-N110 PolarHBondContact O-N 2.75Å; I107-P115 HydrophobicContact CD1-CG 3.95Å; I107-P115 HydrophobicContact CG1-CG 3.85Å; I107-P115 HydrophobicContact CG2-CG 4.16Å; I107-V117 HydrophobicContact CD1-CG2 3.82Å; I107-L205 HydrophobicContact CD1-CD2 4.45Å
108S91.9Very high90Very high81 Ų8154.5 Ų54.557%0.56629%0.288SS*.Hα-helixtrans-69.2-27.8-179.570.10000112.8F104 R105 N110 P111F104-S108 WeakPolarHBondContact O-CB 3.49Å; F104-S108 PolarHBondContact O-N 3.1Å; F104-S108 PolarHBondContact O-OG 3.12Å; R105-S108 PolarHBondContact O-N 3.02Å; R105-S108 PolarHBondContact O-OG 2.99Å; S108-N110 VanDerWaalsContact C-N 3.29Å; S108-N110 PolarHBondContact O-N 3.45Å; S108-P111 WeakPolarHBondContact O-CG 3.43Å
109E90.4Very high90.1Very high106 Ų10653.7 Ų53.750%0.49529%0.285SS..Hα-helixtrans-70.5-21.7173-75.2175.5174.800113.7R105 I107R105-E109 IonicContact CZ-OE1 2.85Å; R105-E109 IonicContact CZ-OE2 3.6Å; R105-E109 IonicContact NH1-OE1 2.87Å; R105-E109 PolarHBondContact NH1-OE1 2.85Å; R105-E109 IonicContact NH1-OE2 2.65Å; R105-E109 PolarHBondContact NH1-OE2 2.87Å; R105-E109 WeakPolarHBondContact O-CG 3.33Å; R105-E109 PolarHBondContact O-N 3.08Å; I107-E109 VanDerWaalsContact C-N 3.29Å; I107-E109 PolarHBondContact O-N 2.97Å
110N83.3Confident90Very high87 Ų8754 Ų5447%0.46529%0.287SS..  trans-126.469.6178.7-64.3-74.8000112.5L106 I107 S108 S112 R113L106-N110 PolarHBondContact O-N 2.94Å; L106-N110 PolarHBondContact O-ND2 3.3Å; I107-N110 CarbonylContact O-C 3.53Å; I107-N110 PolarHBondContact O-N 2.75Å; S108-N110 VanDerWaalsContact C-N 3.29Å; S108-N110 PolarHBondContact O-N 3.45Å; N110-S112 PolarHBondContact O-N 3.32Å; N110-S112 VanDerWaalsContact O-N 3.09Å; N110-R113 PolarHBondContact O-N 2.75Å
111P74.2Confident90Very high93 Ų9353.9 Ų53.960%0.60429%0.286SS*.G310 helixtrans-61.8-23.4-176-21.432.5000114.1S108 R113 S114S108-P111 WeakPolarHBondContact O-CG 3.43Å; P111-R113 VanDerWaalsContact C-N 3.26Å; P111-R113 PolarHBondContact O-N 3.4Å; P111-S114 WeakPolarHBondContact O-CB 3.31Å; P111-S114 PolarHBondContact O-N 2.95Å
112S70.4Confident89.9Confident111 Ų11150.9 Ų50.978%0.77627%0.272SS*.G310 helixtrans-62.9-26.4-17848.30000114.1N110N110-S112 PolarHBondContact O-N 3.32Å; N110-S112 VanDerWaalsContact O-N 3.09Å
113R73.5Confident89.8Confident125 Ų12550.1 Ų50.147%0.47227%0.269SS..G310 helixtrans-89.9-21.7175.4-72.2-171.1179.5167.97.6113.5L53 D54 N110 P111L53-R113 PolarHBondContact O-NH1 3.42Å; D54-R113 IonicContact OD1-NH1 3.55Å; D54-R113 PolarHBondContact OD1-NH1 3.32Å; N110-R113 PolarHBondContact O-N 2.75Å; P111-R113 VanDerWaalsContact C-N 3.26Å; P111-R113 PolarHBondContact O-N 3.4Å
114S79.8Confident89.6Confident91 Ų9150.1 Ų50.164%0.63627%0.269SS*.  trans15.268.5-174.665.90000114.8P111P111-S114 WeakPolarHBondContact O-CB 3.31Å; P111-S114 PolarHBondContact O-N 2.95Å
115P90.3Very high89.2Confident16 Ų1650.3 Ų50.310%0.10427%0.269CS..  trans-63.1139.6-177.924.4-33.2000110.9I107 V117 L205 T206 T207I107-P115 HydrophobicContact CD1-CG 3.95Å; I107-P115 HydrophobicContact CG1-CG 3.85Å; I107-P115 HydrophobicContact CG2-CG 4.16Å; P115-V117 PolarHBondContact O-N 3.43Å; P115-L205 HydrophobicContact CB-CB 4.34Å; P115-L205 HydrophobicContact CB-CD2 4.45Å; P115-T206 WeakPolarHBondContact CA-O 3.36Å; P115-T207 HydrophobicContact CB-CG2 3.67Å
116K93.8Very high88.7Confident109 Ų10949.6 Ų49.647%0.47427%0.272SS..EExtended strand (participates in β ladder)trans-72.1124.3162.7-176.9-174174.6-157.30108E118 T206K116-E118 HydrophobicContact CD-CG 4.48Å; K116-E118 VanDerWaalsContact CE-CD 3.48Å; K116-E118 WeakPolarHBondContact CE-OE1 3.48Å; K116-E118 HydrophobicContact CG-CG 4.41Å; K116-E118 VanDerWaalsContact NZ-CD 3.25Å; K116-E118 IonicContact NZ-OE1 2.7Å; K116-E118 PolarHBondContact NZ-OE1 3.46Å; K116-E118 IonicContact NZ-OE2 3.08Å; K116-T206 PolarHBondContact N-O 2.94Å; K116-T206 PolarHBondContact O-N 2.88Å
117V96.1Very high88.4Confident7 Ų751.6 Ų51.64%0.04228%0.283CS..EExtended strand (participates in β ladder)trans-105.2123.8179.4-169.20000109.5F104 I107 P115 A165 V166 V203 T204 L205F104-V117 HydrophobicContact CE1-CG2 4.26Å; F104-V117 HydrophobicContact CZ-CB 4.41Å; F104-V117 HydrophobicContact CZ-CG1 4.2Å; F104-V117 HydrophobicContact CZ-CG2 4.41Å; I107-V117 HydrophobicContact CD1-CG2 3.82Å; P115-V117 PolarHBondContact O-N 3.43Å; V117-A165 WeakPolarHBondContact O-CA 3.43Å; V117-V166 HydrophobicContact CB-CG2 3.87Å; V117-V166 HydrophobicContact CG1-CG2 3.51Å; V117-V166 PolarHBondContact O-N 3.17Å; V117-V203 HydrophobicContact CG1-CG1 3.55Å; V117-T204 WeakPolarHBondContact CA-O 3.37Å; V117-L205 HydrophobicContact CB-CD2 4.24Å; V117-L205 HydrophobicContact CG1-CD2 3.98Å; V117-L205 HydrophobicContact CG2-CD2 3.7Å
118E96.6Very high88.1Confident42 Ų4252.8 Ų52.820%0.19629%0.29CS..EExtended strand (participates in β ladder)trans-124.5142.1176-67.3176.9125.800110.2K116 E164 A165 V203 T204K116-E118 HydrophobicContact CD-CG 4.48Å; K116-E118 VanDerWaalsContact CE-CD 3.48Å; K116-E118 WeakPolarHBondContact CE-OE1 3.48Å; K116-E118 HydrophobicContact CG-CG 4.41Å; K116-E118 VanDerWaalsContact NZ-CD 3.25Å; K116-E118 IonicContact NZ-OE1 2.7Å; K116-E118 PolarHBondContact NZ-OE1 3.46Å; K116-E118 IonicContact NZ-OE2 3.08Å; E118-E164 CarbonylContact C-O 3.51Å; E118-E164 WeakPolarHBondContact CA-O 3.12Å; E118-A165 HydrophobicContact CG-CB 4.46Å; E118-V203 CarbonylContact O-C 3.6Å; E118-V203 WeakPolarHBondContact O-CA 3.46Å; E118-T204 PolarHBondContact N-O 3.1Å; E118-T204 PolarHBondContact O-N 3.4Å
119V96.8Very high88Confident0 Ų049 Ų490%026%0.263CS..EExtended strand (participates in β ladder)trans-120.8135.5-178.4-175.40000109.8I121 L133 S163 E164 V166 L172 L175 I201 T202 V203V119-I121 HydrophobicContact CG1-CD1 4.48Å; V119-I121 HydrophobicContact CG1-CG1 4Å; V119-L133 VanDerWaalsContact O-CD1 3.27Å; V119-L133 WeakPolarHBondContact O-CD1 3.4Å; V119-S163 CarbonylContact O-C 3.56Å; V119-S163 VanDerWaalsContact O-CA 3.31Å; V119-S163 WeakPolarHBondContact O-CA 3.01Å; V119-E164 PolarHBondContact N-O 3.21Å; V119-E164 PolarHBondContact O-N 3.14Å; V119-V166 HydrophobicContact CG2-CB 4.37Å; V119-V166 HydrophobicContact CG2-CG1 3.84Å; V119-V166 HydrophobicContact CG2-CG2 3.54Å; V119-L172 HydrophobicContact CG2-CD1 3.36Å; V119-L172 HydrophobicContact CG2-CG 4.08Å; V119-L175 HydrophobicContact CB-CD1 4.34Å; V119-I201 HydrophobicContact CG1-CG2 4.19Å; V119-T202 WeakPolarHBondContact CA-O 3.32Å; V119-V203 HydrophobicContact CG2-CG2 4.48Å
120S95.9Very high87.9Confident6 Ų644.9 Ų44.94%0.04224%0.244CC..EExtended strand (participates in β ladder)trans-123.4145.2162.764.20000110.2A162 T202S120-A162 WeakPolarHBondContact CB-O 3.36Å; S120-T202 PolarHBondContact N-O 2.95Å; S120-T202 PolarHBondContact O-N 3.42Å
121I94.9Very high88.3Confident1 Ų140.8 Ų40.81%0.00522%0.222CC..EExtended strand (participates in β ladder)trans-128.8122180-51.6-175.4000108.4V119 L132 L133 L175 V176 L199 I201V119-I121 HydrophobicContact CG1-CD1 4.48Å; V119-I121 HydrophobicContact CG1-CG1 4Å; I121-L132 HydrophobicContact CB-CB 4.27Å; I121-L132 HydrophobicContact CG2-CB 4.16Å; I121-L132 HydrophobicContact CG2-CD1 3.83Å; I121-L132 HydrophobicContact CG2-CG 4.37Å; I121-L132 PolarHBondContact O-N 3.12Å; I121-L133 HydrophobicContact CB-CD2 4.32Å; I121-L133 HydrophobicContact CB-CG 4.13Å; I121-L133 HydrophobicContact CD1-CD2 3.96Å; I121-L133 HydrophobicContact CG1-CD1 4.15Å; I121-L133 HydrophobicContact CG1-CD2 4.11Å; I121-L133 HydrophobicContact CG1-CG 4.12Å; I121-L175 HydrophobicContact CD1-CB 4.2Å; I121-L175 WeakPolarHBondContact CD1-O 3.42Å; I121-V176 HydrophobicContact CD1-CB 4.43Å; I121-V176 HydrophobicContact CD1-CG2 3.99Å; I121-L199 HydrophobicContact CG2-CD1 3.68Å; I121-I201 HydrophobicContact CG1-CG1 4.26Å; I121-I201 HydrophobicContact CG1-CG2 4.46Å; I121-I201 HydrophobicContact CG2-CG1 4.06Å
122V93.3Very high89Confident3 Ų336.6 Ų36.62%0.01819%0.194CC..EExtended strand (participates in β ladder)trans-123.6136.2-176.3169.70000110V124 I129 F130 L161 I200 L322V122-V124 HydrophobicContact CG1-CG2 4.22Å; V122-I129 HydrophobicContact CG1-CG1 4.42Å; V122-I129 HydrophobicContact CG1-CG2 3.73Å; V122-F130 WeakPolarHBondContact CA-O 3.46Å; V122-L161 HydrophobicContact CG2-CD1 3.52Å; V122-L161 HydrophobicContact CG2-CD2 4.24Å; V122-I200 PolarHBondContact N-O 3.29Å; V122-I200 PolarHBondContact O-N 2.81Å; V122-L322 HydrophobicContact CB-CD2 4.41Å; V122-L322 HydrophobicContact CG1-CD2 3.84Å
123E92.1Very high89.9Confident4 Ų432 Ų322%0.01916%0.161CC..EExtended strand (participates in β ladder)trans-102.9131.6163172.2172.4-156.300109.7I129 F130 L132 S197 H198E123-I129 WeakPolarHBondContact O-CA 3.28Å; E123-F130 HydrophobicContact CB-CB 4.28Å; E123-F130 PolarHBondContact N-O 2.91Å; E123-F130 PolarHBondContact O-N 3.23Å; E123-L132 HydrophobicContact CB-CD1 3.98Å; E123-L132 HydrophobicContact CB-CD2 3.96Å; E123-L132 HydrophobicContact CB-CG 4.14Å; E123-S197 WeakPolarHBondContact OE1-CB 3.42Å; E123-S197 PolarHBondContact OE1-OG 3.36Å; E123-H198 CarbonylContact C-O 3.59Å; E123-H198 WeakPolarHBondContact CA-O 3.4Å
124V91.1Very high90.4Very high2 Ų226.8 Ų26.81%0.01215%0.145CC..EExtended strand (participates in β ladder)trans-105.4107.1167.6-171.40000108V122 D128 I129 H198 I200 R318 L319 L322V122-V124 HydrophobicContact CG1-CG2 4.22Å; V124-D128 WeakPolarHBondContact CA-O 3.37Å; V124-I129 HydrophobicContact CG2-CG1 4.05Å; V124-H198 HydrophobicContact CB-CB 4.16Å; V124-H198 PolarHBondContact N-O 3.35Å; V124-H198 PolarHBondContact O-CD2 2.92Å; V124-H198 PolarHBondContact O-N 2.93Å; V124-I200 HydrophobicContact CG2-CD1 3.94Å; V124-R318 HydrophobicContact CG1-CB 4.46Å; V124-L319 HydrophobicContact CG1-CB 4.42Å; V124-L322 HydrophobicContact CG2-CD2 4.26Å
125Y87.8Confident90.1Very high31 Ų3130.3 Ų30.312%0.12215%0.149CC..EExtended strand (participates in β ladder)trans-128131.1-179.6174.7-111.6000109.8N127 D128 F130 T188 R196 E287Y125-N127 PolarHBondContact O-N 3.25Å; Y125-N127 VanDerWaalsContact O-N 3.13Å; Y125-D128 PolarHBondContact N-O 3.4Å; Y125-D128 WeakPolarHBondContact O-CA 3.42Å; Y125-D128 WeakPolarHBondContact O-CB 3.32Å; Y125-D128 PolarHBondContact O-N 3.42Å; Y125-F130 HydrophobicContact CD1-CE2 4.25Å; Y125-T188 HydrophobicContact CE2-CG2 3.82Å; Y125-T188 WeakPolarHBondContact OH-CG2 3.33Å; Y125-R196 WeakPolarHBondContact CD2-O 3.37Å; Y125-E287 HydrophobicContact CE2-CG 3.84Å; Y125-E287 WeakPolarHBondContact CE2-OE1 3.5Å; Y125-E287 PolarHBondContact OH-OE1 3.28Å; Y125-E287 PolarHBondContact OH-OE2 3.09Å
126N84.5Confident88.9Confident80 Ų8033.6 Ų33.643%0.42817%0.165SC..THydrogen-bonded Turntrans49.938-177.9-166.133000114.4D128 C290N126-D128 PolarHBondContact O-N 3.13Å; N126-D128 VanDerWaalsContact O-N 3.17Å; N126-C290 VanDerWaalsContact CA-SG 3.52Å; N126-C290 WeakPolarHBondContact OD1-CB 3.43Å; N126-C290 PolarHBondContact OD1-SG 3.11Å
127N86.6Confident86.9Confident62 Ų6235 Ų3533%0.33218%0.183SC..THydrogen-bonded Turntrans62.213.1-176.1-163.659.9000114.8Y125 S317 R318Y125-N127 PolarHBondContact O-N 3.25Å; Y125-N127 VanDerWaalsContact O-N 3.13Å; N127-S317 WeakPolarHBondContact OD1-CA 3.15Å; N127-R318 WeakPolarHBondContact O-CG 3.36Å; N127-R318 PolarHBondContact OD1-N 3.03Å
128D87.1Confident84.8Confident52 Ų5241.6 Ų41.628%0.27822%0.223SC..EExtended strand (participates in β ladder)trans-100.3153.6166.2-73.3-36.4000109.9V124 Y125 N126 F130 K145V124-D128 WeakPolarHBondContact CA-O 3.37Å; Y125-D128 PolarHBondContact N-O 3.4Å; Y125-D128 WeakPolarHBondContact O-CA 3.42Å; Y125-D128 WeakPolarHBondContact O-CB 3.32Å; Y125-D128 PolarHBondContact O-N 3.42Å; N126-D128 PolarHBondContact O-N 3.13Å; N126-D128 VanDerWaalsContact O-N 3.17Å; D128-F130 HydrophobicContact CB-CD2 4.49Å; D128-F130 HydrophobicContact CB-CE2 3.66Å; D128-F130 HydrophobicContact CB-CZ 3.93Å; D128-K145 HydrophobicContact CB-CD 4.5Å; D128-K145 WeakPolarHBondContact OD1-CE 3.11Å; D128-K145 IonicContact OD1-NZ 3.79Å; D128-K145 PolarHBondContact OD1-NZ 2.7Å; D128-K145 IonicContact OD2-NZ 2.76Å; D128-K145 PolarHBondContact OD2-NZ 3.26Å
129I88.8Confident82.7Confident2 Ų241.3 Ų41.31%0.0123%0.228CC..EExtended strand (participates in β ladder)trans-109.4128.1178.5-80.2162.9000108.8V122 E123 V124 K145 R146 V148 V158 R318 L322V122-I129 HydrophobicContact CG1-CG1 4.42Å; V122-I129 HydrophobicContact CG1-CG2 3.73Å; E123-I129 WeakPolarHBondContact O-CA 3.28Å; V124-I129 HydrophobicContact CG2-CG1 4.05Å; I129-K145 CarbonylContact O-C 3.59Å; I129-K145 VanDerWaalsContact O-CA 3.27Å; I129-K145 WeakPolarHBondContact O-CA 3.39Å; I129-R146 HydrophobicContact CG2-CB 4.04Å; I129-R146 PolarHBondContact O-N 2.81Å; I129-V148 HydrophobicContact CD1-CB 4.42Å; I129-V148 HydrophobicContact CD1-CG2 2.96Å; I129-V148 HydrophobicContact CG1-CG2 4.42Å; I129-V158 HydrophobicContact CG2-CG1 4.18Å; I129-R318 HydrophobicContact CD1-CB 3.78Å; I129-R318 HydrophobicContact CD1-CG 4.35Å; I129-R318 HydrophobicContact CG1-CB 4.18Å; I129-L322 HydrophobicContact CD1-CD2 4.46Å
130F89.2Confident80.6Confident19 Ų1944.3 Ų44.38%0.08325%0.253CS..EExtended strand (participates in β ladder)trans-116.6122.8177.7-60.5-88.7000109.1V122 E123 Y125 D128 L132 V144 K145 H186V122-F130 WeakPolarHBondContact CA-O 3.46Å; E123-F130 HydrophobicContact CB-CB 4.28Å; E123-F130 PolarHBondContact N-O 2.91Å; E123-F130 PolarHBondContact O-N 3.23Å; Y125-F130 HydrophobicContact CD1-CE2 4.25Å; D128-F130 HydrophobicContact CB-CD2 4.49Å; D128-F130 HydrophobicContact CB-CE2 3.66Å; D128-F130 HydrophobicContact CB-CZ 3.93Å; F130-L132 HydrophobicContact CB-CD2 4.32Å; F130-V144 WeakPolarHBondContact CA-O 3.49Å; F130-K145 HydrophobicContact CD1-CB 4.39Å; F130-K145 HydrophobicContact CE1-CB 4.26Å; F130-H186 AromaticContact CD1-CE1 3.77Å; F130-H186 AromaticContact CE1-CE1 3.53Å; F130-H186 AromaticContact CZ-CE1 3.8Å; F130-H186 AromaticContact CZ-NE2 3.93Å
131D90.8Very high78.6Confident0 Ų049.5 Ų49.50%028%0.284CS..EExtended strand (participates in β ladder)trans-81.1113.9172.2179.4-11.4000108.8L133 A134 G143 V144 R146 L161 A162D131-L133 PolarHBondContact OD1-N 3.49Å; D131-A134 HydrophobicContact CB-CB 4.13Å; D131-A134 PolarHBondContact OD1-N 3.18Å; D131-A134 VanDerWaalsContact OD1-N 3.07Å; D131-G143 CarbonylContact O-C 3.4Å; D131-G143 VanDerWaalsContact O-CA 3.27Å; D131-G143 WeakPolarHBondContact O-CA 3.4Å; D131-V144 HydrophobicContact CB-CB 4.43Å; D131-V144 WeakPolarHBondContact CB-O 3.48Å; D131-V144 PolarHBondContact N-O 2.88Å; D131-V144 PolarHBondContact O-N 3Å; D131-R146 HydrophobicContact CB-CG 3.74Å; D131-R146 IonicContact OD2-CZ 3.25Å; D131-R146 IonicContact OD2-NE 3.64Å; D131-R146 PolarHBondContact OD2-NE 3.15Å; D131-R146 IonicContact OD2-NH2 2.76Å; D131-R146 PolarHBondContact OD2-NH2 2.81Å; D131-L161 HydrophobicContact CB-CD1 4.13Å; D131-A162 WeakPolarHBondContact OD2-CB 3.22Å; D131-A162 PolarHBondContact OD2-N 3.46Å
132L90.3Very high76.7Confident6 Ų651.2 Ų51.23%0.03130%0.296CS..SBendtrans-89-2.3-175.4-53.9-173.4000113.1I121 E123 F130 G179 L182 R183 L199I121-L132 HydrophobicContact CB-CB 4.27Å; I121-L132 HydrophobicContact CG2-CB 4.16Å; I121-L132 HydrophobicContact CG2-CD1 3.83Å; I121-L132 HydrophobicContact CG2-CG 4.37Å; I121-L132 PolarHBondContact O-N 3.12Å; E123-L132 HydrophobicContact CB-CD1 3.98Å; E123-L132 HydrophobicContact CB-CD2 3.96Å; E123-L132 HydrophobicContact CB-CG 4.14Å; F130-L132 HydrophobicContact CB-CD2 4.32Å; L132-G179 WeakPolarHBondContact CD1-O 3.36Å; L132-L182 HydrophobicContact CD2-CB 4.35Å; L132-L182 WeakPolarHBondContact O-CD1 3.4Å; L132-R183 HydrophobicContact CD1-CB 4.48Å; L132-L199 HydrophobicContact CD1-CD1 3.97Å
133L89.2Confident75.2Confident13 Ų1351.3 Ų51.37%0.06830%0.298CS..SBendtrans-108.7-10.3176.5-60.1-170.7000113.1V119 I121 D131 K135 A162 E164 L175V119-L133 VanDerWaalsContact O-CD1 3.27Å; V119-L133 WeakPolarHBondContact O-CD1 3.4Å; I121-L133 HydrophobicContact CB-CD2 4.32Å; I121-L133 HydrophobicContact CB-CG 4.13Å; I121-L133 HydrophobicContact CD1-CD2 3.96Å; I121-L133 HydrophobicContact CG1-CD1 4.15Å; I121-L133 HydrophobicContact CG1-CD2 4.11Å; I121-L133 HydrophobicContact CG1-CG 4.12Å; D131-L133 PolarHBondContact OD1-N 3.49Å; L133-K135 PolarHBondContact O-N 3.48Å; L133-A162 HydrophobicContact CB-CB 4.07Å; L133-E164 HydrophobicContact CD1-CB 4.41Å; L133-E164 HydrophobicContact CD1-CG 4.24Å; L133-L175 HydrophobicContact CD1-CD1 4.47Å; L133-L175 HydrophobicContact CD2-CB 4.13Å; L133-L175 HydrophobicContact CD2-CD2 4.2Å
134A84.5Confident74.3Confident17 Ų1751.9 Ų51.914%0.1430%0.301CS..  trans-63.6128.6179.700000112.5D131 D136 V144 A162D131-A134 HydrophobicContact CB-CB 4.13Å; D131-A134 PolarHBondContact OD1-N 3.18Å; D131-A134 VanDerWaalsContact OD1-N 3.07Å; A134-D136 PolarHBondContact O-N 2.83Å; A134-V144 HydrophobicContact CB-CB 3.68Å; A134-V144 HydrophobicContact CB-CG2 3.37Å; A134-A162 HydrophobicContact CB-CB 4.36Å
135K72.9Confident73.7Confident165 Ų16557.5 Ų57.572%0.71733%0.326SS*.  trans-97.333.2-178.3-63.2176.9-178.3158.30113.1L133 T137 E164L133-K135 PolarHBondContact O-N 3.48Å; K135-T137 PolarHBondContact O-N 3.39Å; K135-E164 WeakPolarHBondContact CE-OE1 3.28Å; K135-E164 IonicContact NZ-OE1 3.54Å; K135-E164 PolarHBondContact NZ-OE1 3.07Å; K135-E164 IonicContact NZ-OE2 3.87Å
136D64.2Low73.4Confident85 Ų8558.3 Ų58.346%0.45533%0.329SS..  trans-69.2122176.9-89.3-35.9000110.1A134 V138 A139 A140 V144A134-D136 PolarHBondContact O-N 2.83Å; D136-V138 PolarHBondContact O-N 3.28Å; D136-A139 PolarHBondContact O-N 3.37Å; D136-A139 VanDerWaalsContact O-N 3.09Å; D136-A140 PolarHBondContact O-N 2.92Å; D136-V144 HydrophobicContact CB-CG2 3.92Å
137T52Low73Confident139 Ų13959.5 Ų59.585%0.85333%0.332SS*.THydrogen-bonded Turntrans-60.1-8.7-173.331.60000114.8K135K135-T137 PolarHBondContact O-N 3.39Å
138V53.4Low72.4Confident144 Ų14456.9 Ų56.987%0.87332%0.318SS*.THydrogen-bonded Turntrans-108.8-19.5-179.5-166.40000112.8D136D136-V138 PolarHBondContact O-N 3.28Å
139A51.6Low71.4Confident36 Ų3658.8 Ų58.830%0.29833%0.326SS..THydrogen-bonded Turntrans-11811.9-172.600000114.4D136 V141 S142 V144D136-A139 PolarHBondContact O-N 3.37Å; D136-A139 VanDerWaalsContact O-N 3.09Å; A139-V141 PolarHBondContact O-N 3.44Å; A139-S142 PolarHBondContact O-N 3.29Å; A139-V144 HydrophobicContact CB-CG2 3.9Å
140A53.1Low70.5Confident64 Ų6461.3 Ų61.353%0.52934%0.342SS..THydrogen-bonded Turntrans-61.1-6.9-175.700000115.4D136 L182D136-A140 PolarHBondContact O-N 2.92Å; A140-L182 WeakPolarHBondContact O-CD2 3.4Å
141V53.8Low69.2Low114 Ų11461.2 Ų61.269%0.69135%0.345SS*.THydrogen-bonded Turntrans-89.8-21.1-176.5-170.50000112.6A139A139-V141 PolarHBondContact O-N 3.44Å
142S55.1Low67.3Low37 Ų3771.9 Ų71.926%0.25939%0.391SS..THydrogen-bonded Turntrans-146.216-174.592.30000116.4A139 H186A139-S142 PolarHBondContact O-N 3.29Å; S142-H186 WeakPolarHBondContact CB-ND1 3.24Å; S142-H186 PolarHBondContact O-CE1 2.85Å; S142-H186 VanDerWaalsContact O-CE1 3.3Å; S142-H186 PolarHBondContact O-ND1 2.93Å; S142-H186 VanDerWaalsContact O-ND1 3.13Å; S142-H186 PolarHBondContact OG-CE1 2.95Å
143G61.1Low65.8Low6 Ų675.9 Ų75.96%0.06241%0.412CS..  trans76.1156.5-172.700000113.2D131D131-G143 CarbonylContact O-C 3.4Å; D131-G143 VanDerWaalsContact O-CA 3.27Å; D131-G143 WeakPolarHBondContact O-CA 3.4Å
144V73.4Confident64.4Low15 Ų1577.1 Ų77.19%0.09143%0.428CS..EExtended strand (participates in β ladder)trans-91.6122.8-176.2178.10000110.3F130 D131 A134 D136 A139 R146F130-V144 WeakPolarHBondContact CA-O 3.49Å; D131-V144 HydrophobicContact CB-CB 4.43Å; D131-V144 WeakPolarHBondContact CB-O 3.48Å; D131-V144 PolarHBondContact N-O 2.88Å; D131-V144 PolarHBondContact O-N 3Å; A134-V144 HydrophobicContact CB-CB 3.68Å; A134-V144 HydrophobicContact CB-CG2 3.37Å; D136-V144 HydrophobicContact CB-CG2 3.92Å; A139-V144 HydrophobicContact CB-CG2 3.9Å; V144-R146 PolarHBondContact O-N 2.97Å
145K79.2Confident63.4Low121 Ų12179.7 Ų79.753%0.52643%0.434SS..EExtended strand (participates in β ladder)trans-63.1127.4175.5-175.9170.6176.2163.20110.7D128 I129 F130D128-K145 HydrophobicContact CB-CD 4.5Å; D128-K145 WeakPolarHBondContact OD1-CE 3.11Å; D128-K145 IonicContact OD1-NZ 3.79Å; D128-K145 PolarHBondContact OD1-NZ 2.7Å; D128-K145 IonicContact OD2-NZ 2.76Å; D128-K145 PolarHBondContact OD2-NZ 3.26Å; I129-K145 CarbonylContact O-C 3.59Å; I129-K145 VanDerWaalsContact O-CA 3.27Å; I129-K145 WeakPolarHBondContact O-CA 3.39Å; F130-K145 HydrophobicContact CD1-CB 4.39Å; F130-K145 HydrophobicContact CE1-CB 4.26Å
146R81.2Confident63Low47 Ų4772.3 Ų72.318%0.17740%0.403CS..EExtended strand (participates in β ladder)trans-120.5157.9178.4-57.8-60.3-168.8-172.2-1.9112I129 D131 V144 V158 A159 L160I129-R146 HydrophobicContact CG2-CB 4.04Å; I129-R146 PolarHBondContact O-N 2.81Å; D131-R146 HydrophobicContact CB-CG 3.74Å; D131-R146 IonicContact OD2-CZ 3.25Å; D131-R146 IonicContact OD2-NE 3.64Å; D131-R146 PolarHBondContact OD2-NE 3.15Å; D131-R146 IonicContact OD2-NH2 2.76Å; D131-R146 PolarHBondContact OD2-NH2 2.81Å; V144-R146 PolarHBondContact O-N 2.97Å; R146-V158 HydrophobicContact CB-CG1 3.49Å; R146-V158 VanDerWaalsContact CB-CG1 3.49Å; R146-V158 HydrophobicContact CG-CG1 4.08Å; R146-A159 WeakPolarHBondContact CD-O 3.37Å; R146-L160 PolarHBondContact NE-O 2.83Å; R146-L160 PolarHBondContact NH2-O 3.01Å
147E75.6Confident63.4Low106 Ų10672.4 Ų72.450%0.49540%0.401SS..  trans-103.5139173-171.6170.7-158.300110.8M149 A159 R318E147-M149 HydrophobicContact CB-CE 4.45Å; E147-M149 HydrophobicContact CG-CE 4.44Å; E147-M149 WeakPolarHBondContact OE2-CE 3.3Å; E147-A159 PolarHBondContact O-N 2.8Å; E147-R318 IonicContact OE1-NH2 2.71Å
148V73.3Confident64.4Low6 Ų666.6 Ų66.64%0.03637%0.365CS..EExtended strand (participates in β ladder)trans-87.9126.5170.8-176.20000109I129 T156 V158 R318 H321I129-V148 HydrophobicContact CD1-CB 4.42Å; I129-V148 HydrophobicContact CD1-CG2 2.96Å; I129-V148 HydrophobicContact CG1-CG2 4.42Å; V148-T156 HydrophobicContact CG1-CG2 3.22Å; V148-V158 HydrophobicContact CG2-CG2 4.04Å; V148-R318 PolarHBondContact O-NH1 2.95Å; V148-H321 HydrophobicContact CG1-CB 4.42Å; V148-H321 WeakPolarHBondContact CG1-CE1 3.2Å; V148-H321 VanDerWaalsContact CG1-ND1 3.31Å; V148-H321 WeakPolarHBondContact CG1-ND1 3.5Å
149M67Low64.9Low92 Ų9261.1 Ų61.145%0.45334%0.335SS..EExtended strand (participates in β ladder)trans-116155.3175.5-60.8-173.4178.100109.8E147 E157 A159E147-M149 HydrophobicContact CB-CE 4.45Å; E147-M149 HydrophobicContact CG-CE 4.44Å; E147-M149 WeakPolarHBondContact OE2-CE 3.3Å; M149-E157 CarbonylContact C-O 3.51Å; M149-E157 PolarHBondContact N-O 2.91Å; M149-E157 PolarHBondContact O-N 2.85Å; M149-A159 HydrophobicContact CE-CB 4.05Å; M149-A159 HydrophobicContact CG-CB 4.3Å; M149-A159 HydrophobicContact SD-CB 3.89Å
150T69.1Low65.9Low55 Ų5566.2 Ų66.234%0.33736%0.357SS..EExtended strand (participates in β ladder)trans-96.7120.3168-48.70000107R155 R315 H321T150-R155 CarbonylContact C-O 3.58Å; T150-R155 WeakPolarHBondContact CA-O 3.45Å; T150-R315 PolarHBondContact OG1-NH2 3.44Å; T150-R315 VanDerWaalsContact OG1-NH2 3.13Å; T150-H321 PolarHBondContact OG1-NE2 2.84Å
151A61.8Low67.3Low18 Ų1865.1 Ų65.115%0.14934%0.342CS..  trans-63.1163.6174.600000110.8D153 G154 R155 E157A151-D153 WeakPolarHBondContact CB-OD1 3.28Å; A151-D153 PolarHBondContact O-N 2.81Å; A151-G154 PolarHBondContact O-N 3.02Å; A151-R155 HydrophobicContact CB-CB 4.33Å; A151-R155 PolarHBondContact N-O 3.41Å; A151-E157 HydrophobicContact CB-CG 4.03Å
152K52.3Low68.9Low223 Ų22360.9 Ų60.997%0.9732%0.319SS*.THydrogen-bonded Turntrans-61.1-18.8-176-67.2-177.2179.7177.90113.9
153D58.7Low70.5Confident90 Ų9062.1 Ų62.148%0.48133%0.327SS..THydrogen-bonded Turntrans-96.910.6177.453.424.8000113.4A151 R155A151-D153 WeakPolarHBondContact CB-OD1 3.28Å; A151-D153 PolarHBondContact O-N 2.81Å; D153-R155 VanDerWaalsContact C-N 3.29Å; D153-R155 PolarHBondContact O-N 2.81Å; D153-R155 VanDerWaalsContact OD1-CB 3.24Å; D153-R155 WeakPolarHBondContact OD1-CB 3.27Å; D153-R155 VanDerWaalsContact OD1-CG 3.25Å; D153-R155 WeakPolarHBondContact OD1-CG 3.36Å; D153-R155 PolarHBondContact OD1-N 3.43Å; D153-R155 VanDerWaalsContact OD1-N 3.09Å; D153-R155 IonicContact OD1-NE 3.39Å; D153-R155 PolarHBondContact OD1-NE 3.2Å; D153-R155 VanDerWaalsContact OD1-NE 3.14Å; D153-R155 IonicContact OD2-CZ 3.8Å; D153-R155 IonicContact OD2-NE 3.26Å; D153-R155 PolarHBondContact OD2-NE 2.78Å; D153-R155 IonicContact OD2-NH2 2.61Å; D153-R155 PolarHBondContact OD2-NH2 2.85Å
154G58.8Low72.1Confident39 Ų3963.6 Ų63.640%0.40233%0.333SS..SBendtrans83.3-1178.700000114.7A151A151-G154 PolarHBondContact O-N 3.02Å
155R63.5Low73.1Confident71 Ų7166.1 Ų66.127%0.26836%0.355SS..  trans-73.4151.1176.9-64.8-175.6-72.61651.3111.6T150 A151 D153T150-R155 CarbonylContact C-O 3.58Å; T150-R155 WeakPolarHBondContact CA-O 3.45Å; A151-R155 HydrophobicContact CB-CB 4.33Å; A151-R155 PolarHBondContact N-O 3.41Å; D153-R155 VanDerWaalsContact C-N 3.29Å; D153-R155 PolarHBondContact O-N 2.81Å; D153-R155 VanDerWaalsContact OD1-CB 3.24Å; D153-R155 WeakPolarHBondContact OD1-CB 3.27Å; D153-R155 VanDerWaalsContact OD1-CG 3.25Å; D153-R155 WeakPolarHBondContact OD1-CG 3.36Å; D153-R155 PolarHBondContact OD1-N 3.43Å; D153-R155 VanDerWaalsContact OD1-N 3.09Å; D153-R155 IonicContact OD1-NE 3.39Å; D153-R155 PolarHBondContact OD1-NE 3.2Å; D153-R155 VanDerWaalsContact OD1-NE 3.14Å; D153-R155 IonicContact OD2-CZ 3.8Å; D153-R155 IonicContact OD2-NE 3.26Å; D153-R155 PolarHBondContact OD2-NE 2.78Å; D153-R155 IonicContact OD2-NH2 2.61Å; D153-R155 PolarHBondContact OD2-NH2 2.85Å
156T66.1Low73.9Confident11 Ų1160.8 Ų60.87%0.06733%0.333CS..EExtended strand (participates in β ladder)trans-84123.9171.5-56.10000109.8V148 H321V148-T156 HydrophobicContact CG1-CG2 3.22Å; T156-H321 WeakPolarHBondContact CG2-O 3.43Å; T156-H321 PolarHBondContact OG1-CD2 2.8Å; T156-H321 VanDerWaalsContact OG1-CD2 3.27Å; T156-H321 PolarHBondContact OG1-O 2.94Å
157E70.9Confident74.5Confident86 Ų8662 Ų6240%0.40236%0.36SS..EExtended strand (participates in β ladder)trans-126.8132.4174.1-71.9-173.9167.800109.4M149 A151M149-E157 CarbonylContact C-O 3.51Å; M149-E157 PolarHBondContact N-O 2.91Å; M149-E157 PolarHBondContact O-N 2.85Å; A151-E157 HydrophobicContact CB-CG 4.03Å
158V73.5Confident75.4Confident17 Ų1759.2 Ų59.210%0.10335%0.352CS..EExtended strand (participates in β ladder)trans-86.3118.2169.5-179.60000106.9I129 R146 V148 L160 L161 L322I129-V158 HydrophobicContact CG2-CG1 4.18Å; R146-V158 HydrophobicContact CB-CG1 3.49Å; R146-V158 VanDerWaalsContact CB-CG1 3.49Å; R146-V158 HydrophobicContact CG-CG1 4.08Å; V148-V158 HydrophobicContact CG2-CG2 4.04Å; V158-L160 PolarHBondContact O-N 2.75Å; V158-L161 HydrophobicContact CB-CB 3.98Å; V158-L161 HydrophobicContact CB-CD2 4.21Å; V158-L161 HydrophobicContact CG1-CB 4.07Å; V158-L161 HydrophobicContact CG1-CD1 4.39Å; V158-L161 PolarHBondContact O-N 2.78Å; V158-L322 HydrophobicContact CG2-CD1 3.53Å
159A65.1Low76.4Confident30 Ų3059.1 Ų59.125%0.24835%0.352CS..THydrogen-bonded Turntrans-62129.8-17700000110.1R146 E147 M149 L161R146-A159 WeakPolarHBondContact CD-O 3.37Å; E147-A159 PolarHBondContact O-N 2.8Å; M149-A159 HydrophobicContact CE-CB 4.05Å; M149-A159 HydrophobicContact CG-CB 4.3Å; M149-A159 HydrophobicContact SD-CB 3.89Å; A159-L161 PolarHBondContact O-N 2.79Å
160L71Confident77.6Confident142 Ų14258.4 Ų58.474%0.74336%0.356SS*.THydrogen-bonded Turntrans59.427.7176.6-52.6173.6000114.5R146 V158 A162R146-L160 PolarHBondContact NE-O 2.83Å; R146-L160 PolarHBondContact NH2-O 3.01Å; V158-L160 PolarHBondContact O-N 2.75Å; L160-A162 PolarHBondContact O-N 3.19Å
161L83.4Confident78.8Confident42 Ų4259 Ų5922%0.2235%0.354CS..  trans-63.2120.5175.5-177.363.1000110.6V122 D131 V158 A159 S163V122-L161 HydrophobicContact CG2-CD1 3.52Å; V122-L161 HydrophobicContact CG2-CD2 4.24Å; D131-L161 HydrophobicContact CB-CD1 4.13Å; V158-L161 HydrophobicContact CB-CB 3.98Å; V158-L161 HydrophobicContact CB-CD2 4.21Å; V158-L161 HydrophobicContact CG1-CB 4.07Å; V158-L161 HydrophobicContact CG1-CD1 4.39Å; V158-L161 PolarHBondContact O-N 2.78Å; A159-L161 PolarHBondContact O-N 2.79Å; L161-S163 PolarHBondContact O-N 2.9Å
162A86.4Confident80.4Confident25 Ų2558.3 Ų58.321%0.20735%0.348CS..  trans-63.2131.2174.500000109.9S120 D131 L133 A134 L160S120-A162 WeakPolarHBondContact CB-O 3.36Å; D131-A162 WeakPolarHBondContact OD2-CB 3.22Å; D131-A162 PolarHBondContact OD2-N 3.46Å; L133-A162 HydrophobicContact CB-CB 4.07Å; A134-A162 HydrophobicContact CB-CB 4.36Å; L160-A162 PolarHBondContact O-N 3.19Å
163S90.1Very high82.4Confident62 Ų6248.8 Ų48.843%0.43431%0.307SS..  trans-127127.7172.7-60.10000108.2V119 L161V119-S163 CarbonylContact O-C 3.56Å; V119-S163 VanDerWaalsContact O-CA 3.31Å; V119-S163 WeakPolarHBondContact O-CA 3.01Å; L161-S163 PolarHBondContact O-N 2.9Å
164E93.5Very high84Confident38 Ų3849.3 Ų49.318%0.17831%0.306CS..EExtended strand (participates in β ladder)trans-107.4130.5178.7-68.3-150.5-176.100110.9E118 V119 L133 K135 L175E118-E164 CarbonylContact C-O 3.51Å; E118-E164 WeakPolarHBondContact CA-O 3.12Å; V119-E164 PolarHBondContact N-O 3.21Å; V119-E164 PolarHBondContact O-N 3.14Å; L133-E164 HydrophobicContact CD1-CB 4.41Å; L133-E164 HydrophobicContact CD1-CG 4.24Å; K135-E164 WeakPolarHBondContact CE-OE1 3.28Å; K135-E164 IonicContact NZ-OE1 3.54Å; K135-E164 PolarHBondContact NZ-OE1 3.07Å; K135-E164 IonicContact NZ-OE2 3.87Å; E164-L175 HydrophobicContact CB-CD1 3.8Å; E164-L175 WeakPolarHBondContact OE2-CD2 3.31Å
165A95.1Very high85.6Confident67 Ų6748.2 Ų48.255%0.55429%0.291SS*.EExtended strand (participates in β ladder)trans-72133.5173.900000110.2V117 E118V117-A165 WeakPolarHBondContact O-CA 3.43Å; E118-A165 HydrophobicContact CG-CB 4.46Å
166V95.8Very high87Confident10 Ų1044.9 Ų44.96%0.06128%0.279CS..  trans-125.9136.6-177.4-66.80000110.8F104 V117 V119 K171 L172 L175F104-V166 HydrophobicContact CZ-CB 4.39Å; F104-V166 HydrophobicContact CZ-CG2 3.89Å; V117-V166 HydrophobicContact CB-CG2 3.87Å; V117-V166 HydrophobicContact CG1-CG2 3.51Å; V117-V166 PolarHBondContact O-N 3.17Å; V119-V166 HydrophobicContact CG2-CB 4.37Å; V119-V166 HydrophobicContact CG2-CG1 3.84Å; V119-V166 HydrophobicContact CG2-CG2 3.54Å; V166-K171 HydrophobicContact CB-CG 4.47Å; V166-K171 HydrophobicContact CG1-CG 4.05Å; V166-L172 HydrophobicContact CG2-CD1 4.36Å; V166-L175 HydrophobicContact CG1-CD1 3.63Å
167G93.6Very high88.1Confident72 Ų7249.4 Ų49.474%0.74230%0.295SS*.SBendtrans-106.8-5179.500000114.7F104F104-G167 VanDerWaalsContact CE1-C 3.44Å
168S94.4Very high88.9Confident48 Ų4846.7 Ų46.734%0.33629%0.29SS..SBendtrans-155.4159.1-177.366.70000112.4F104 S170 K171 L172F104-S168 WeakPolarHBondContact CE2-O 3.37Å; S168-S170 VanDerWaalsContact C-N 3.28Å; S168-S170 PolarHBondContact O-N 3.47Å; S168-K171 PolarHBondContact O-N 2.8Å; S168-K171 PolarHBondContact OG-N 2.65Å; S168-L172 PolarHBondContact O-N 3.39Å; S168-L172 VanDerWaalsContact O-N 3.13Å
169A93.9Very high89.6Confident4 Ų446 Ų463%0.03329%0.285CS..Hα-helixtrans-59.9-39.6174.400000111.6A100 E101 F104 K171 L172 M173A100-A169 HydrophobicContact CB-CB 4.08Å; E101-A169 HydrophobicContact CB-CB 4.49Å; E101-A169 HydrophobicContact CG-CB 4.03Å; E101-A169 WeakPolarHBondContact OE1-CB 3.42Å; F104-A169 HydrophobicContact CB-CB 4.41Å; F104-A169 VanDerWaalsContact CD2-CA 3.48Å; F104-A169 HydrophobicContact CD2-CB 3.82Å; F104-A169 HydrophobicContact CG-CB 4.42Å; A169-K171 VanDerWaalsContact C-N 3.35Å; A169-K171 PolarHBondContact O-N 2.78Å; A169-L172 WeakPolarHBondContact O-CB 3.12Å; A169-L172 PolarHBondContact O-N 2.84Å; A169-M173 WeakPolarHBondContact O-CG 3.42Å; A169-M173 PolarHBondContact O-N 2.96Å
170S92.4Very high90.6Very high77 Ų7746.3 Ų46.354%0.53828%0.283SS..Hα-helixtrans-60.8-41.5177.1-41.10000112.4S168 M173 E174S168-S170 VanDerWaalsContact C-N 3.28Å; S168-S170 PolarHBondContact O-N 3.47Å; S170-M173 PolarHBondContact O-N 2.94Å; S170-E174 PolarHBondContact O-N 3.31Å
171K94.4Very high91.2Very high67 Ų6744 Ų4429%0.29127%0.268SS..Hα-helixtrans-68.5-39.2177.5-175.456.2178.5176.10111.7V166 S168 A169 M173 E174 L175V166-K171 HydrophobicContact CB-CG 4.47Å; V166-K171 HydrophobicContact CG1-CG 4.05Å; S168-K171 PolarHBondContact O-N 2.8Å; S168-K171 PolarHBondContact OG-N 2.65Å; A169-K171 VanDerWaalsContact C-N 3.35Å; A169-K171 PolarHBondContact O-N 2.78Å; K171-M173 VanDerWaalsContact C-N 3.35Å; K171-E174 HydrophobicContact CD-CB 4.5Å; K171-E174 WeakPolarHBondContact CD-OE2 3.5Å; K171-E174 IonicContact NZ-OE1 2.8Å; K171-E174 PolarHBondContact NZ-OE1 3.39Å; K171-E174 IonicContact NZ-OE2 3.09Å; K171-E174 PolarHBondContact NZ-OE2 3.16Å; K171-E174 WeakPolarHBondContact O-CB 3.4Å; K171-E174 PolarHBondContact O-N 2.85Å; K171-L175 PolarHBondContact O-N 2.94Å; K171-L175 VanDerWaalsContact O-N 3.16Å
172L95.3Very high91.1Very high4 Ų443.6 Ų43.62%0.02127%0.266CS..Hα-helixtrans-59.8-46.2173.9-175.6133.4000111.1A100 F104 V119 V166 S168 A169 E174 L175 V176 V203A100-L172 HydrophobicContact CB-CD2 3.5Å; F104-L172 HydrophobicContact CE2-CB 4.37Å; F104-L172 HydrophobicContact CE2-CD1 4.49Å; V119-L172 HydrophobicContact CG2-CD1 3.36Å; V119-L172 HydrophobicContact CG2-CG 4.08Å; V166-L172 HydrophobicContact CG2-CD1 4.36Å; S168-L172 PolarHBondContact O-N 3.39Å; S168-L172 VanDerWaalsContact O-N 3.13Å; A169-L172 WeakPolarHBondContact O-CB 3.12Å; A169-L172 PolarHBondContact O-N 2.84Å; L172-E174 VanDerWaalsContact C-N 3.34Å; L172-E174 PolarHBondContact O-N 3.01Å; L172-L175 PolarHBondContact O-N 3.46Å; L172-V176 HydrophobicContact CD2-CG2 4.42Å; L172-V176 WeakPolarHBondContact O-CG2 3.44Å; L172-V176 PolarHBondContact O-N 3.25Å; L172-V203 HydrophobicContact CD1-CG1 4.49Å; L172-V203 HydrophobicContact CD1-CG2 3.78Å
173M94.3Very high90.9Very high23 Ų2343 Ų4311%0.11326%0.259CS..Hα-helixtrans-68.5-29.7177.9-70.6-52.5-56.600113.7I96 P97 A100 A169 S170 K171 V176 R177I96-M173 HydrophobicContact CG2-SD 3.99Å; P97-M173 HydrophobicContact CB-CE 3.92Å; P97-M173 HydrophobicContact CB-SD 3.97Å; P97-M173 HydrophobicContact CG-CE 4.49Å; A100-M173 HydrophobicContact CB-CG 4.28Å; A100-M173 HydrophobicContact CB-SD 4.29Å; A169-M173 WeakPolarHBondContact O-CG 3.42Å; A169-M173 PolarHBondContact O-N 2.96Å; S170-M173 PolarHBondContact O-N 2.94Å; K171-M173 VanDerWaalsContact C-N 3.35Å; M173-V176 HydrophobicContact CE-CB 4.38Å; M173-V176 HydrophobicContact CE-CG1 4.28Å; M173-V176 PolarHBondContact O-N 3.26Å; M173-R177 WeakPolarHBondContact O-CB 3.46Å; M173-R177 PolarHBondContact O-N 3.37Å
174E91.8Very high90Very high100 Ų10043.6 Ų43.647%0.46727%0.267SS..Hα-helixtrans-60.7-46.4170.5-170-162.114400111.2S170 K171 L172 R177 G178S170-E174 PolarHBondContact O-N 3.31Å; K171-E174 HydrophobicContact CD-CB 4.5Å; K171-E174 WeakPolarHBondContact CD-OE2 3.5Å; K171-E174 IonicContact NZ-OE1 2.8Å; K171-E174 PolarHBondContact NZ-OE1 3.39Å; K171-E174 IonicContact NZ-OE2 3.09Å; K171-E174 PolarHBondContact NZ-OE2 3.16Å; K171-E174 WeakPolarHBondContact O-CB 3.4Å; K171-E174 PolarHBondContact O-N 2.85Å; L172-E174 VanDerWaalsContact C-N 3.34Å; L172-E174 PolarHBondContact O-N 3.01Å; E174-R177 PolarHBondContact O-N 3.22Å; E174-G178 PolarHBondContact O-N 3.27Å
175L93.3Very high88.5Confident16 Ų1647.9 Ų47.98%0.08429%0.285CS..Hα-helixtrans-63.7-43176.1-64.6178.9000111.7V119 I121 L133 E164 V166 K171 L172 R177 G178 G179V119-L175 HydrophobicContact CB-CD1 4.34Å; I121-L175 HydrophobicContact CD1-CB 4.2Å; I121-L175 WeakPolarHBondContact CD1-O 3.42Å; L133-L175 HydrophobicContact CD1-CD1 4.47Å; L133-L175 HydrophobicContact CD2-CB 4.13Å; L133-L175 HydrophobicContact CD2-CD2 4.2Å; E164-L175 HydrophobicContact CB-CD1 3.8Å; E164-L175 WeakPolarHBondContact OE2-CD2 3.31Å; V166-L175 HydrophobicContact CG1-CD1 3.63Å; K171-L175 PolarHBondContact O-N 2.94Å; K171-L175 VanDerWaalsContact O-N 3.16Å; L172-L175 PolarHBondContact O-N 3.46Å; L175-R177 PolarHBondContact O-N 3.46Å; L175-G178 PolarHBondContact O-N 2.87Å; L175-G179 PolarHBondContact O-N 3.09Å
176V92.6Very high86.7Confident2 Ų246.1 Ų46.11%0.01227%0.265CS..Hα-helixtrans-59.6-46.4175.7173.60000110.8L75 I96 I121 L172 M173 G178 G179 L180 I201L75-V176 HydrophobicContact CD2-CG1 4.01Å; I96-V176 HydrophobicContact CG2-CG1 4.38Å; I96-V176 HydrophobicContact CG2-CG2 4.31Å; I121-V176 HydrophobicContact CD1-CB 4.43Å; I121-V176 HydrophobicContact CD1-CG2 3.99Å; L172-V176 HydrophobicContact CD2-CG2 4.42Å; L172-V176 WeakPolarHBondContact O-CG2 3.44Å; L172-V176 PolarHBondContact O-N 3.25Å; M173-V176 HydrophobicContact CE-CB 4.38Å; M173-V176 HydrophobicContact CE-CG1 4.28Å; M173-V176 PolarHBondContact O-N 3.26Å; V176-G178 PolarHBondContact O-N 3.21Å; V176-G179 PolarHBondContact O-N 3.34Å; V176-L180 HydrophobicContact CG1-CD1 3.94Å; V176-L180 HydrophobicContact CG1-CG 4.32Å; V176-L180 WeakPolarHBondContact O-CB 3.39Å; V176-L180 VanDerWaalsContact O-CG 3.25Å; V176-L180 WeakPolarHBondContact O-CG 3.44Å; V176-L180 PolarHBondContact O-N 2.99Å; V176-I201 HydrophobicContact CG1-CD1 4.01Å; V176-I201 HydrophobicContact CG2-CD1 3.81Å; V176-I201 HydrophobicContact CG2-CG1 4.44Å
177R89.9Confident84.3Confident106 Ų10650.8 Ų50.840%0.430%0.296SS..Hα-helixtrans-61-44.4176.7-171.1-175.2-64.7127.5-3.6111.8M173 E174 L175 L180 Q181M173-R177 WeakPolarHBondContact O-CB 3.46Å; M173-R177 PolarHBondContact O-N 3.37Å; E174-R177 PolarHBondContact O-N 3.22Å; L175-R177 PolarHBondContact O-N 3.46Å; R177-L180 PolarHBondContact O-N 2.89Å; R177-Q181 WeakPolarHBondContact O-CG 3.05Å; R177-Q181 PolarHBondContact O-N 3.09Å
178G87.4Confident82Confident29 Ų2948.6 Ų48.630%0.29927%0.268SS..Hα-helixtrans-59.3-46.3175.500000112.5E174 L175 V176 L180 Q181 L182E174-G178 PolarHBondContact O-N 3.27Å; L175-G178 PolarHBondContact O-N 2.87Å; V176-G178 PolarHBondContact O-N 3.21Å; G178-L180 PolarHBondContact O-N 3.35Å; G178-Q181 PolarHBondContact O-N 3Å; G178-L182 PolarHBondContact O-N 3.34Å; G178-L182 VanDerWaalsContact O-N 3.15Å
179G87.4Confident79.5Confident1 Ų153.4 Ų53.41%0.0129%0.289CS..Hα-helixtrans-62.9-41176.300000112.9L132 L175 V176 Q181 L182 R183L132-G179 WeakPolarHBondContact CD1-O 3.36Å; L175-G179 PolarHBondContact O-N 3.09Å; V176-G179 PolarHBondContact O-N 3.34Å; G179-Q181 VanDerWaalsContact C-N 3.34Å; G179-Q181 PolarHBondContact O-N 3.38Å; G179-L182 PolarHBondContact O-N 3.21Å; G179-R183 PolarHBondContact O-N 2.87Å
180L86.1Confident77.1Confident38 Ų3856.5 Ų56.520%0.19931%0.308CS..Hα-helixtrans-63.8-37.4175.5-71.1172.8000112.7L75 V176 R177 G178 L182 R183 A184 L199L75-L180 HydrophobicContact CD1-CD1 3.76Å; L75-L180 HydrophobicContact CD1-CD2 3.82Å; L75-L180 HydrophobicContact CD1-CG 4.45Å; L75-L180 HydrophobicContact CD2-CD1 3.85Å; L75-L180 HydrophobicContact CG-CD1 4.45Å; V176-L180 HydrophobicContact CG1-CD1 3.94Å; V176-L180 HydrophobicContact CG1-CG 4.32Å; V176-L180 WeakPolarHBondContact O-CB 3.39Å; V176-L180 VanDerWaalsContact O-CG 3.25Å; V176-L180 WeakPolarHBondContact O-CG 3.44Å; V176-L180 PolarHBondContact O-N 2.99Å; R177-L180 PolarHBondContact O-N 2.89Å; G178-L180 PolarHBondContact O-N 3.35Å; L180-L182 VanDerWaalsContact C-N 3.31Å; L180-L182 PolarHBondContact O-N 3.32Å; L180-R183 PolarHBondContact O-N 2.92Å; L180-A184 WeakPolarHBondContact O-CB 3.46Å; L180-A184 PolarHBondContact O-N 3.43Å; L180-L199 HydrophobicContact CD2-CD2 3.61Å
181Q83.3Confident74.9Confident94 Ų9456 Ų5644%0.43930%0.296SS..Hα-helixtrans-64.5-36.4174.1-72.41760.200112R177 G178 G179 K185R177-Q181 WeakPolarHBondContact O-CG 3.05Å; R177-Q181 PolarHBondContact O-N 3.09Å; G178-Q181 PolarHBondContact O-N 3Å; G179-Q181 VanDerWaalsContact C-N 3.34Å; G179-Q181 PolarHBondContact O-N 3.38Å; Q181-K185 WeakPolarHBondContact O-CB 3.28Å; Q181-K185 WeakPolarHBondContact O-CD 3.48Å; Q181-K185 WeakPolarHBondContact O-CG 3.25Å; Q181-K185 PolarHBondContact O-N 3.28Å
182L82Confident72.6Confident33 Ų3358 Ų5817%0.17333%0.326CS..Hα-helixtrans-69.8-43.8174.3-68.7176.9000111.7L132 A140 G178 G179 L180 A184 K185 H186L132-L182 HydrophobicContact CD2-CB 4.35Å; L132-L182 WeakPolarHBondContact O-CD1 3.4Å; A140-L182 WeakPolarHBondContact O-CD2 3.4Å; G178-L182 PolarHBondContact O-N 3.34Å; G178-L182 VanDerWaalsContact O-N 3.15Å; G179-L182 PolarHBondContact O-N 3.21Å; L180-L182 VanDerWaalsContact C-N 3.31Å; L180-L182 PolarHBondContact O-N 3.32Å; L182-A184 VanDerWaalsContact C-N 3.28Å; L182-A184 PolarHBondContact O-N 3.31Å; L182-K185 PolarHBondContact O-N 3.21Å; L182-K185 VanDerWaalsContact O-N 3.08Å; L182-H186 PolarHBondContact O-N 2.92Å
183R83.4Confident71Confident13 Ų1361.5 Ų61.55%0.04935%0.345CS..Hα-helixtrans-55-44.4173.5-176.4-176.8-177.8-165.85.8111.3L132 G179 L180 K185 H186 S194 S197 D268L132-R183 HydrophobicContact CD1-CB 4.48Å; G179-R183 PolarHBondContact O-N 2.87Å; L180-R183 PolarHBondContact O-N 2.92Å; R183-K185 VanDerWaalsContact C-N 3.31Å; R183-K185 PolarHBondContact O-N 3.38Å; R183-H186 PolarHBondContact O-N 3.41Å; R183-S194 PolarHBondContact NH2-O 2.89Å; R183-S197 PolarHBondContact NE-OG 2.92Å; R183-S197 VanDerWaalsContact NE-OG 3.12Å; R183-S197 PolarHBondContact NH2-O 2.89Å; R183-D268 IonicContact CZ-OD2 2.66Å; R183-D268 IonicContact NH1-OD2 3.4Å; R183-D268 PolarHBondContact NH1-OD2 3.1Å; R183-D268 VanDerWaalsContact NH1-OD2 3.15Å; R183-D268 IonicContact NH2-OD2 3.83Å
184A70.6Confident69.6Low73 Ų7361.8 Ų61.860%0.60335%0.349SS*.Hα-helixtrans-69.3-25.5178.700000113.8L180 L182L180-A184 WeakPolarHBondContact O-CB 3.46Å; L180-A184 PolarHBondContact O-N 3.43Å; L182-A184 VanDerWaalsContact C-N 3.28Å; L182-A184 PolarHBondContact O-N 3.31Å
185K61.6Low68.7Low129 Ų12957.5 Ų57.556%0.56133%0.33SS*.Hα-helixtrans-89-8.7-178.9-74.5171.4-173.9176.20113.7Q181 L182 R183 P187Q181-K185 WeakPolarHBondContact O-CB 3.28Å; Q181-K185 WeakPolarHBondContact O-CD 3.48Å; Q181-K185 WeakPolarHBondContact O-CG 3.25Å; Q181-K185 PolarHBondContact O-N 3.28Å; L182-K185 PolarHBondContact O-N 3.21Å; L182-K185 VanDerWaalsContact O-N 3.08Å; R183-K185 VanDerWaalsContact C-N 3.31Å; R183-K185 PolarHBondContact O-N 3.38Å; K185-P187 WeakPolarHBondContact O-CD 3.33Å; K185-P187 VanDerWaalsContact O-N 3.14Å
186H57Low68.1Low29 Ų2957.6 Ų57.613%0.13433%0.329CS..SBendtrans-65.6111.7173.4-138.4102.4000108.1F130 S142 L182 R183 T188F130-H186 AromaticContact CD1-CE1 3.77Å; F130-H186 AromaticContact CE1-CE1 3.53Å; F130-H186 AromaticContact CZ-CE1 3.8Å; F130-H186 AromaticContact CZ-NE2 3.93Å; S142-H186 WeakPolarHBondContact CB-ND1 3.24Å; S142-H186 PolarHBondContact O-CE1 2.85Å; S142-H186 VanDerWaalsContact O-CE1 3.3Å; S142-H186 PolarHBondContact O-ND1 2.93Å; S142-H186 VanDerWaalsContact O-ND1 3.13Å; S142-H186 PolarHBondContact OG-CE1 2.95Å; L182-H186 PolarHBondContact O-N 2.92Å; R183-H186 PolarHBondContact O-N 3.41Å; H186-T188 PolarHBondContact O-N 3.46Å
187P45.1Very low67.9Low109 Ų10957.7 Ų57.771%0.70833%0.33SS*.  trans-72.897-177.315.2-6.7000108.2K185K185-P187 WeakPolarHBondContact O-CD 3.33Å; K185-P187 VanDerWaalsContact O-N 3.14Å
188T45.3Very low68Low26 Ų2652.9 Ų52.916%0.1631%0.312CS..  trans-72.4135.7156.975.30000106Y125 H186 V190 H191Y125-T188 HydrophobicContact CE2-CG2 3.82Å; Y125-T188 WeakPolarHBondContact OH-CG2 3.33Å; H186-T188 PolarHBondContact O-N 3.46Å; T188-V190 PolarHBondContact O-N 2.94Å; T188-H191 WeakPolarHBondContact OG1-CA 3.39Å; T188-H191 PolarHBondContact OG1-N 3.24Å; T188-H191 PolarHBondContact OG1-O 2.62Å
189L42.5Very low68.3Low148 Ų14851.6 Ų51.678%0.77530%0.298SS*.SBendtrans-63.8-5-177-85.5160.5000113
190V42.8Very low68.7Low70 Ų7051.6 Ų51.642%0.42430%0.298SS..SBendtrans-144.1-18.9-170.7-1730000115.7T188 A284T188-V190 PolarHBondContact O-N 2.94Å; V190-A284 HydrophobicContact CB-CB 3.71Å; V190-A284 HydrophobicContact CG1-CB 3.81Å; V190-A284 HydrophobicContact CG2-CB 3.57Å
191H45.9Very low69.2Low65 Ų6549.8 Ų49.830%0.30129%0.288SS..  trans-147115.7-178.1-62.2-58.5000115.4T188 D193 R196T188-H191 WeakPolarHBondContact OG1-CA 3.39Å; T188-H191 PolarHBondContact OG1-N 3.24Å; T188-H191 PolarHBondContact OG1-O 2.62Å; H191-D193 PolarHBondContact O-N 2.72Å; H191-R196 HydrophobicContact CB-CG 4.23Å
192A47.7Very low69.9Low110 Ų11045.9 Ų45.991%0.90927%0.271SS*.  trans-7436176.400000114.5
193D61.3Low70.6Confident78 Ų7844.5 Ų44.542%0.41726%0.264SS..SBendtrans-128.3135.2-168.6-174.914.6000113.1H191 S195 R196H191-D193 PolarHBondContact O-N 2.72Å; D193-S195 PolarHBondContact O-N 3.22Å; D193-S195 PolarHBondContact OD1-N 3.14Å; D193-S195 VanDerWaalsContact OD2-CB 3.31Å; D193-S195 WeakPolarHBondContact OD2-CB 3.24Å; D193-S195 PolarHBondContact OD2-OG 3.45Å; D193-R196 PolarHBondContact O-N 3.26Å
194S65.5Low71.1Confident29 Ų2944.5 Ų44.520%0.20327%0.265CS..G310 helixtrans-45.3-22168.862.20000114.7R183 R196 S197R183-S194 PolarHBondContact NH2-O 2.89Å; S194-R196 PolarHBondContact O-N 2.8Å; S194-S197 PolarHBondContact O-N 3.49Å
195S72.8Confident72.2Confident9 Ų941.2 Ų41.26%0.06324%0.238CC..G310 helixtrans-59.5-14.7177.855.30000115.7T66 D193 A270 G271T66-S195 VanDerWaalsContact OG1-CB 3.31Å; T66-S195 WeakPolarHBondContact OG1-CB 3.24Å; D193-S195 PolarHBondContact O-N 3.22Å; D193-S195 PolarHBondContact OD1-N 3.14Å; D193-S195 VanDerWaalsContact OD2-CB 3.31Å; D193-S195 WeakPolarHBondContact OD2-CB 3.24Å; D193-S195 PolarHBondContact OD2-OG 3.45Å; S195-A270 WeakPolarHBondContact O-CA 3.36Å; S195-A270 WeakPolarHBondContact O-CB 3.4Å; S195-G271 PolarHBondContact O-N 3.38Å
196R79.6Confident73.7Confident19 Ų1936 Ų367%0.07222%0.216CC..G310 helixtrans-101.7-4.7-173.2-60.6-65.5169.5-149.7-13.4115.9Y125 H191 D193 S194 E273 E287 I291Y125-R196 WeakPolarHBondContact CD2-O 3.37Å; H191-R196 HydrophobicContact CB-CG 4.23Å; D193-R196 PolarHBondContact O-N 3.26Å; S194-R196 PolarHBondContact O-N 2.8Å; R196-E273 IonicContact CZ-OE1 3.32Å; R196-E273 IonicContact NH1-OE1 2.72Å; R196-E273 PolarHBondContact NH1-OE1 3.49Å; R196-E273 IonicContact NH2-OE1 3.95Å; R196-E273 PolarHBondContact NH2-OE1 3.09Å; R196-E287 VanDerWaalsContact CB-OE1 3.28Å; R196-E287 WeakPolarHBondContact CB-OE1 3.46Å; R196-E287 WeakPolarHBondContact CG-OE1 3.36Å; R196-I291 HydrophobicContact CB-CD1 3.87Å; R196-I291 HydrophobicContact CG-CD1 4.24Å; R196-I291 VanDerWaalsContact O-CD1 3.3Å; R196-I291 WeakPolarHBondContact O-CD1 3.38Å; R196-I291 WeakPolarHBondContact O-CG1 3.16Å
197S88.2Confident75.2Confident4 Ų436.2 Ų36.23%0.02822%0.22CC..SBendtrans-136155.4176660000111.5E123 R183 S194E123-S197 WeakPolarHBondContact OE1-CB 3.42Å; E123-S197 PolarHBondContact OE1-OG 3.36Å; R183-S197 PolarHBondContact NE-OG 2.92Å; R183-S197 VanDerWaalsContact NE-OG 3.12Å; R183-S197 PolarHBondContact NH2-O 2.89Å; S194-S197 PolarHBondContact O-N 3.49Å
198H92.9Very high76.9Confident4 Ų434.3 Ų34.32%0.01921%0.213CC..EExtended strand (participates in β ladder)trans-92131.3174-47-81.4000109E123 V124 D268 L269 A270 S294 L319E123-H198 CarbonylContact C-O 3.59Å; E123-H198 WeakPolarHBondContact CA-O 3.4Å; V124-H198 HydrophobicContact CB-CB 4.16Å; V124-H198 PolarHBondContact N-O 3.35Å; V124-H198 PolarHBondContact O-CD2 2.92Å; V124-H198 PolarHBondContact O-N 2.93Å; H198-D268 WeakPolarHBondContact CA-O 3.36Å; H198-L269 HydrophobicContact CB-CD2 4.3Å; H198-L269 WeakPolarHBondContact ND1-CA 3.34Å; H198-L269 WeakPolarHBondContact ND1-CD2 3.39Å; H198-A270 VanDerWaalsContact CE1-CB 3.43Å; H198-A270 WeakPolarHBondContact CE1-CB 3.47Å; H198-A270 PolarHBondContact ND1-N 3.38Å; H198-S294 PolarHBondContact NE2-OG 2.6Å; H198-L319 HydrophobicContact CB-CD1 4.09Å
199L94Very high78Confident2 Ų234.6 Ų34.61%0.0122%0.218CC..EExtended strand (participates in β ladder)trans-104.1129173.2177.471.1000109.7I121 L132 L180 I201 V267 D268I121-L199 HydrophobicContact CG2-CD1 3.68Å; L132-L199 HydrophobicContact CD1-CD1 3.97Å; L180-L199 HydrophobicContact CD2-CD2 3.61Å; L199-I201 HydrophobicContact CD2-CD1 4.27Å; L199-I201 HydrophobicContact CG-CG1 4.42Å; L199-V267 CarbonylContact O-C 3.27Å; L199-V267 WeakPolarHBondContact O-CA 3.29Å; L199-D268 HydrophobicContact CB-CB 4.29Å; L199-D268 PolarHBondContact N-O 3.47Å; L199-D268 PolarHBondContact O-N 3.01Å
200I95.9Very high78.6Confident1 Ų132.1 Ų32.11%0.00521%0.212CC..EExtended strand (participates in β ladder)trans-126.4113.3178.3-61.7160.5000107.9V122 V124 V267 L319 L322 L323V122-I200 PolarHBondContact N-O 3.29Å; V122-I200 PolarHBondContact O-N 2.81Å; V124-I200 HydrophobicContact CG2-CD1 3.94Å; I200-V267 HydrophobicContact CG1-CG1 3.92Å; I200-V267 HydrophobicContact CG1-CG2 4.22Å; I200-V267 HydrophobicContact CG2-CG2 4.37Å; I200-L319 HydrophobicContact CD1-CD1 3.97Å; I200-L322 HydrophobicContact CD1-CD2 3.42Å; I200-L322 VanDerWaalsContact CD1-CD2 3.42Å; I200-L322 HydrophobicContact CD1-CG 4.14Å; I200-L323 HydrophobicContact CD1-CD2 4.27Å
201I96.6Very high78.7Confident0 Ų033.6 Ų33.60%023%0.226CC..EExtended strand (participates in β ladder)trans-101.4121.2171.3-62.2158.2000107I96 V119 I121 V176 L199 V203 Q265 L266I96-I201 HydrophobicContact CD1-CD1 3.66Å; I96-I201 HydrophobicContact CG1-CD1 4.22Å; I96-I201 HydrophobicContact CG2-CD1 4.05Å; V119-I201 HydrophobicContact CG1-CG2 4.19Å; I121-I201 HydrophobicContact CG1-CG1 4.26Å; I121-I201 HydrophobicContact CG1-CG2 4.46Å; I121-I201 HydrophobicContact CG2-CG1 4.06Å; V176-I201 HydrophobicContact CG1-CD1 4.01Å; V176-I201 HydrophobicContact CG2-CD1 3.81Å; V176-I201 HydrophobicContact CG2-CG1 4.44Å; L199-I201 HydrophobicContact CD2-CD1 4.27Å; L199-I201 HydrophobicContact CG-CG1 4.42Å; I201-V203 HydrophobicContact CG2-CG2 4.46Å; I201-Q265 WeakPolarHBondContact O-CA 3.47Å; I201-L266 HydrophobicContact CB-CB 4.39Å; I201-L266 PolarHBondContact N-O 3.36Å; I201-L266 PolarHBondContact O-N 3.42Å
202T96.6Very high78.4Confident13 Ų1337.9 Ų37.98%0.0825%0.251CS..EExtended strand (participates in β ladder)trans-111.4117.3176.6-54.80000109.5V119 S120 R263 L264 Q265V119-T202 WeakPolarHBondContact CA-O 3.32Å; S120-T202 PolarHBondContact N-O 2.95Å; S120-T202 PolarHBondContact O-N 3.42Å; T202-R263 HydrophobicContact CG2-CB 4.34Å; T202-R263 HydrophobicContact CG2-CG 4.5Å; T202-L264 CarbonylContact C-O 3.57Å; T202-L264 WeakPolarHBondContact CA-O 3.46Å; T202-Q265 HydrophobicContact CG2-CG 4.06Å
203V96.8Very high78.1Confident3 Ų336.7 Ų36.72%0.01824%0.236CC..EExtended strand (participates in β ladder)trans-98.9122169.7-173.60000108.3L103 V117 E118 V119 L172 I201 L205 R263 L264L103-V203 HydrophobicContact CD2-CG1 3.89Å; V117-V203 HydrophobicContact CG1-CG1 3.55Å; E118-V203 CarbonylContact O-C 3.6Å; E118-V203 WeakPolarHBondContact O-CA 3.46Å; V119-V203 HydrophobicContact CG2-CG2 4.48Å; L172-V203 HydrophobicContact CD1-CG1 4.49Å; L172-V203 HydrophobicContact CD1-CG2 3.78Å; I201-V203 HydrophobicContact CG2-CG2 4.46Å; V203-L205 HydrophobicContact CG1-CD2 4.44Å; V203-R263 CarbonylContact O-C 3.56Å; V203-R263 WeakPolarHBondContact O-CA 3.48Å; V203-L264 HydrophobicContact CB-CB 4.27Å; V203-L264 PolarHBondContact N-O 3.45Å; V203-L264 PolarHBondContact O-N 3.49Å
204T95.2Very high77Confident13 Ų1339.9 Ų39.98%0.0826%0.259CS..EExtended strand (participates in β ladder)trans-109.7119.5-178.1-62.20000109V117 E118 Q261 R263V117-T204 WeakPolarHBondContact CA-O 3.37Å; E118-T204 PolarHBondContact N-O 3.1Å; E118-T204 PolarHBondContact O-N 3.4Å; T204-Q261 VanDerWaalsContact CG2-CD 3.48Å; T204-Q261 HydrophobicContact CG2-CG 3.52Å; T204-R263 HydrophobicContact CG2-CG 4.42Å
205L93.9Very high75.7Confident5 Ų542.8 Ų42.83%0.02628%0.284CS..EExtended strand (participates in β ladder)trans-97.5125.6172-57.7-171.7000109.1L52 L53 L103 I107 P115 V117 V203 Q261 A262L52-L205 HydrophobicContact CD2-CD1 3.74Å; L52-L205 HydrophobicContact CD2-CG 4.17Å; L52-L205 HydrophobicContact CG-CD1 3.69Å; L52-L205 HydrophobicContact CG-CG 4.29Å; L53-L205 HydrophobicContact CD2-CD1 3.76Å; L53-L205 HydrophobicContact CG-CD1 4.47Å; L103-L205 HydrophobicContact CD1-CD1 4.25Å; L103-L205 HydrophobicContact CD2-CD2 4.5Å; I107-L205 HydrophobicContact CD1-CD2 4.45Å; P115-L205 HydrophobicContact CB-CB 4.34Å; P115-L205 HydrophobicContact CB-CD2 4.45Å; V117-L205 HydrophobicContact CB-CD2 4.24Å; V117-L205 HydrophobicContact CG1-CD2 3.98Å; V117-L205 HydrophobicContact CG2-CD2 3.7Å; V203-L205 HydrophobicContact CG1-CD2 4.44Å; L205-Q261 CarbonylContact O-C 3.55Å; L205-Q261 VanDerWaalsContact O-CA 3.26Å; L205-Q261 WeakPolarHBondContact O-CA 3.25Å; L205-A262 PolarHBondContact N-O 3.36Å; L205-A262 PolarHBondContact O-N 2.94Å
206T92.6Very high73.8Confident18 Ų1850.3 Ų50.311%0.1132%0.324CS..EExtended strand (participates in β ladder)trans-116.8117.2173.1-56.20000108.7P115 K116 Q259P115-T206 WeakPolarHBondContact CA-O 3.36Å; K116-T206 PolarHBondContact N-O 2.94Å; K116-T206 PolarHBondContact O-N 2.88Å; T206-Q259 HydrophobicContact CG2-CB 4.12Å; T206-Q259 HydrophobicContact CG2-CG 4.27Å; T206-Q259 VanDerWaalsContact CG2-OE1 3.27Å
207T88.4Confident71.8Confident34 Ų3459 Ų5921%0.20937%0.365CS..EExtended strand (participates in β ladder)trans-112.3144.3177.151.30000109.5P115 A209 Q259 V260P115-T207 HydrophobicContact CB-CG2 3.67Å; T207-A209 PolarHBondContact O-N 2.88Å; T207-Q259 CarbonylContact O-C 3.58Å; T207-Q259 WeakPolarHBondContact O-CA 3.4Å; T207-V260 PolarHBondContact N-O 3.39Å; T207-V260 PolarHBondContact O-N 2.93Å; T207-V260 PolarHBondContact OG1-O 2.85Å
208A81.3Confident69.3Low69 Ų6963.4 Ų63.457%0.5740%0.402SS*.EExtended strand (participates in β ladder)trans-64.5131.7163.900000107.9C210A208-C210 PolarHBondContact O-N 2.89Å
209A68.3Low66.5Low32 Ų3269.8 Ų69.826%0.26445%0.445SS..  trans-60.8110.3173.400000107.6T207 S211 E258 V260 P372T207-A209 PolarHBondContact O-N 2.88Å; A209-S211 PolarHBondContact O-N 3.4Å; A209-E258 WeakPolarHBondContact CA-O 3.31Å; A209-E258 HydrophobicContact CB-CB 3.58Å; A209-E258 WeakPolarHBondContact CB-O 3.36Å; A209-E258 PolarHBondContact N-O 3.36Å; A209-V260 HydrophobicContact CB-CG2 4.13Å; A209-P372 HydrophobicContact CB-CB 4.39Å
210C54.5Low63.6Low96 Ų9674.7 Ų74.765%0.64948%0.48SS*.  trans-66.9119.4161.8-86.20000106.6A208 D212A208-C210 PolarHBondContact O-N 2.89Å; C210-D212 PolarHBondContact O-N 3.49Å
211S44.3Very low60.6Low102 Ų10279.5 Ų79.571%0.71352%0.52SS*.  trans-66.881.1163.557.10000107.9A209 S213A209-S211 PolarHBondContact O-N 3.4Å; S211-S213 PolarHBondContact O-N 3.35Å; S211-S213 PolarHBondContact O-OG 3.5Å
212D40.3Very low57.5Low154 Ų15485.5 Ų85.582%0.82456%0.557SS**  trans-67.876166.8-82.3-12.5000107.8C210C210-D212 PolarHBondContact O-N 3.49Å
213S41.4Very low54.3Low85 Ų8592.3 Ų92.359%0.59459%0.592SS**  trans-106.297.3168.8-2.60000105.4S211S211-S213 PolarHBondContact O-N 3.35Å; S211-S213 PolarHBondContact O-OG 3.5Å
214T38.1Very low51.1Low146 Ų14698.2 Ų98.290%0.89663%0.63SS**SBendtrans146.36315150.50000113.3
215A37.8Very low48.1Very low89 Ų89109 Ų10974%0.73667%0.669SS**SBendtrans-163.477.3153.600000109.3
216D32.8Very low44.8Very low168 Ų168118 Ų11890%0.89871%0.711SS**SBendtrans175.427.8153.2-92.3-11.8000114.5
217Q38.3Very low41.9Very low201 Ų201126.3 Ų126.394%0.93975%0.749SS**  trans-13270.7165-83.4-173.219.200111.1
218A36.4Very low39.1Very low96 Ų96130.3 Ų130.379%0.79377%0.773SS**  trans-155.360.1161.800000110.8
219C33.8Very low36.6Very low138 Ų138136 Ų13693%0.93279%0.788SS**  trans-154.260.3162.8-91.40000110.8
220S31.9Very low34.7Very low105 Ų105139 Ų13973%0.73481%0.813SS**  trans-14264.515280.70000109.7T222S220-T222 VanDerWaalsContact C-N 3.26Å; S220-T222 PolarHBondContact O-N 2.89Å
221A33.4Very low33.4Very low103 Ų103138.1 Ų138.185%0.85182%0.821SS**  trans-72.990.9159.600000107.3L223A221-L223 PolarHBondContact O-N 2.89Å
222T30.9Very low32.7Very low126 Ų126145.5 Ų145.577%0.77383%0.833SS**  trans-66.3113.4169.7-41.20000108S220S220-T222 VanDerWaalsContact C-N 3.26Å; S220-T222 PolarHBondContact O-N 2.89Å
223L30.1Very low32.3Very low156 Ų156143.1 Ų143.182%0.81783%0.834SS**PPolyproline II helixtrans-54.8131171.4-67.1159.5000110.4A221 R225A221-L223 PolarHBondContact O-N 2.89Å; L223-R225 PolarHBondContact O-N 3.3Å
224P29.4Very low31.7Very low126 Ų126142.9 Ų142.982%0.81885%0.845SS**PPolyproline II helixtrans-77.2120.8164-5.222.5000108.9
225R31.7Very low31.4Very low240 Ų240147.8 Ų147.891%0.90685%0.848SS**PPolyproline II helixtrans-65.8128.8167.1-81.7173.9125.1157.2-1.9109.7L223L223-R225 PolarHBondContact O-N 3.3Å
226E26.1Very low31Very low194 Ų194148.8 Ų148.891%0.90785%0.849SS**PPolyproline II helixtrans-61.6126.5161.2-70.6177.710200110.2
227Q31.2Very low30.9Very low193 Ų193152 Ų15290%0.90285%0.849SS**  trans-143.5142.8150.2-75.3-164.2-22.500110.3
228T28.6Very low30.6Very low118 Ų118154.1 Ų154.172%0.72485%0.848SS**  trans-87.8150-159.3-32.50000112.4
229E29.6Very low30.4Very low187 Ų187155.9 Ų155.987%0.87485%0.849SS**  trans60.4142150.5-84168.4-171.200119.4
230A28.4Very low30.4Very low95 Ų95154.7 Ų154.779%0.78584%0.842SS**  cis-166.5155.17.100000109.7
231G27.1Very low30.5Very low79 Ų79159 Ų15981%0.81485%0.85SS**  trans82.4110.1142.100000120
232R30.3Very low30.6Very low256 Ų256158.1 Ų158.197%0.96685%0.852SS**  160.6131.4105.1-167165.4-173.2171.31.2111.4
233A30.2Very low30.7Very low104 Ų104156.9 Ų156.986%0.8685%0.854SS**  trans-67.3147.4-177.800000114.4
234G30.3Very low30.7Very low80 Ų80155.2 Ų155.283%0.82586%0.856SS**  trans-163.4120.9170.300000112.4
235R30.8Very low31Very low250 Ų250153.5 Ų153.594%0.94385%0.852SS**  trans-65.2146.5-174.3-86.4163.4153.3172.7-7.1115.7
236S29.3Very low31.2Very low109 Ų109148 Ų14876%0.76285%0.848SS**  trans54.3117.8131.8-160.50000120.8
237R31.3Very low31.3Very low237 Ų237147.5 Ų147.589%0.89485%0.845SS**  -178.3135.3109.7-107.6174169.1159-4112.7
238R31.5Very low31.2Very low244 Ų244146.3 Ų146.392%0.92184%0.844SS**  trans-67.6134.4160.5-75.9173.8164.9173.6-5.2109.6
239T32.2Very low31.5Very low133 Ų133146.6 Ų146.682%0.81685%0.846SS**  trans-142.9114.4146.946.20000108.8
240S33.2Very low31.7Very low113 Ų113143.5 Ų143.579%0.7984%0.842SS**  trans-60.1130.5162.347.10000110.5
241Q34.8Very low31.9Very low195 Ų195150.5 Ų150.591%0.91185%0.848SS**  trans-156.1122.3149.4-107.4166.629.800108.9
242G35.1Very low32.1Very low85 Ų85153.6 Ų153.688%0.87685%0.846SS**  trans-67.3142.9178.200000111.5
243A33.8Very low32.4Very low100 Ų100147.8 Ų147.883%0.82684%0.841SS**  trans-125.6117.9165.900000107.5
244S30.7Very low32.7Very low121 Ų121146.2 Ų146.285%0.84683%0.828SS**PPolyproline II helixtrans-48.9138.8-173.5-450000113.7
245A35.7Very low33Very low90 Ų90145.8 Ų145.874%0.74482%0.823SS**PPolyproline II helixtrans-54.8136.7167.900000110.5Q247A245-Q247 PolarHBondContact O-N 3.43Å; A245-Q247 VanDerWaalsContact O-N 3.14Å
246P34.3Very low33.6Very low126 Ų126140.8 Ų140.882%0.81881%0.81SS**PPolyproline II helixtrans-66.9117.1172.426.4-29.8000108.6L248P246-L248 PolarHBondContact O-N 3.47Å
247Q29.5Very low34.9Very low183 Ų183138.9 Ų138.986%0.85580%0.801SS**  trans-64115.6177.5-163.4169.9-6.600108.8A245 V249A245-Q247 PolarHBondContact O-N 3.43Å; A245-Q247 VanDerWaalsContact O-N 3.14Å; Q247-V249 PolarHBondContact O-N 2.87Å
248L28.9Very low36.6Very low167 Ų167133.1 Ų133.187%0.87478%0.784SS**  trans-59.5103.9172.6-82.9149.8000108.9P246P246-L248 PolarHBondContact O-N 3.47Å
249V35.6Very low38.8Very low125 Ų125124.3 Ų124.376%0.75875%0.754SS**PPolyproline II helixtrans-66.9126.4166.9-143.40000107Q247 R251Q247-V249 PolarHBondContact O-N 2.87Å; V249-R251 PolarHBondContact O-N 3.29Å; V249-R251 VanDerWaalsContact O-N 3.09Å
250P33.6Very low41.3Very low121 Ų121119.2 Ų119.279%0.78672%0.723SS**PPolyproline II helixtrans-59.9117.1174.6-19.231000108.8D252P250-D252 PolarHBondContact O-N 2.69Å
251R32.2Very low43.9Very low243 Ų243115.7 Ų115.792%0.91769%0.694SS**PPolyproline II helixtrans-66.6128.1169.5-82.5-177.9170.8-179.7-3.3108.1V249V249-R251 PolarHBondContact O-N 3.29Å; V249-R251 VanDerWaalsContact O-N 3.09Å
252D31.5Very low46.6Very low144 Ų144106.6 Ų106.677%0.7765%0.652SS**PPolyproline II helixtrans-48.1136.4168.1-80.8-47.7000111P250 A254P250-D252 PolarHBondContact O-N 2.69Å; D252-A254 PolarHBondContact O-N 3.37Å
253P36.6Very low49.4Very low134 Ų134104.8 Ų104.887%0.8762%0.619SS**SBendtrans-799.9179.431.9-33.6000113.9G255P253-G255 VanDerWaalsContact C-N 3.28Å; P253-G255 PolarHBondContact O-N 3.33Å
254A35.9Very low52.3Low71 Ų71100.1 Ų100.159%0.58758%0.58SS**  trans-90.559176.300000111.5D252 H256D252-A254 PolarHBondContact O-N 3.37Å; A254-H256 PolarHBondContact O-N 2.95Å; A254-H256 PolarHBondContact O-ND1 3.08Å; A254-H256 VanDerWaalsContact O-ND1 3.1Å
255G36.9Very low55.4Low70 Ų7095 Ų9572%0.72254%0.542SS*.  trans-62.2106.2168.500000109.1P253 A257P253-G255 VanDerWaalsContact C-N 3.28Å; P253-G255 PolarHBondContact O-N 3.33Å; G255-A257 PolarHBondContact O-N 2.7Å
256H43.9Very low58.4Low146 Ų14691 Ų9168%0.67651%0.508SS*.  trans-65.6103.9170.7-69.258000106.4A254 E258A254-H256 PolarHBondContact O-N 2.95Å; A254-H256 PolarHBondContact O-ND1 3.08Å; A254-H256 VanDerWaalsContact O-ND1 3.1Å; H256-E258 PolarHBondContact O-N 2.69Å
257A56.4Low61.4Low69 Ų6985 Ų8557%0.5747%0.469SS*.  trans-62.7107.4173.900000107.5G255 Q259G255-A257 PolarHBondContact O-N 2.7Å; A257-Q259 PolarHBondContact O-N 2.96Å
258E67.3Low64.5Low115 Ų11576.3 Ų76.354%0.53743%0.429SS..  trans-51.4134.8168.5-90.8-174172.200108.5A209 H256 P372A209-E258 WeakPolarHBondContact CA-O 3.31Å; A209-E258 HydrophobicContact CB-CB 3.58Å; A209-E258 WeakPolarHBondContact CB-O 3.36Å; A209-E258 PolarHBondContact N-O 3.36Å; H256-E258 PolarHBondContact O-N 2.69Å; E258-P372 HydrophobicContact CB-CB 3.48Å; E258-P372 VanDerWaalsContact CB-CB 3.48Å; E258-P372 HydrophobicContact CB-CG 3.96Å; E258-P372 VanDerWaalsContact CD-CG 3.41Å; E258-P372 HydrophobicContact CG-CB 3.75Å; E258-P372 HydrophobicContact CG-CG 3.91Å; E258-P372 WeakPolarHBondContact OE2-CG 3.27Å
259Q77.6Confident67.6Low59 Ų5968.4 Ų68.428%0.27639%0.387SS..EExtended strand (participates in β ladder)trans-119.6130.7-178.4-76174.626.700109.9T206 T207 A257 P372 S373T206-Q259 HydrophobicContact CG2-CB 4.12Å; T206-Q259 HydrophobicContact CG2-CG 4.27Å; T206-Q259 VanDerWaalsContact CG2-OE1 3.27Å; T207-Q259 CarbonylContact O-C 3.58Å; T207-Q259 WeakPolarHBondContact O-CA 3.4Å; A257-Q259 PolarHBondContact O-N 2.96Å; Q259-P372 CarbonylContact O-C 3.57Å; Q259-P372 WeakPolarHBondContact O-CA 3.46Å; Q259-S373 PolarHBondContact O-N 2.72Å
260V83.8Confident70.3Confident27 Ų2762.4 Ų62.416%0.16435%0.351CS..EExtended strand (participates in β ladder)trans-99.7129174.2-179.80000108.7T207 A209 P372T207-V260 PolarHBondContact N-O 3.39Å; T207-V260 PolarHBondContact O-N 2.93Å; T207-V260 PolarHBondContact OG1-O 2.85Å; A209-V260 HydrophobicContact CB-CG2 4.13Å; V260-P372 HydrophobicContact CG2-CB 4.29Å
261Q88.4Confident72.9Confident39 Ų3956.7 Ų56.718%0.18231%0.314CS..EExtended strand (participates in β ladder)trans-118.1127.5-178.9-171.9-17966.100111.4T204 L205 R263 R370T204-Q261 VanDerWaalsContact CG2-CD 3.48Å; T204-Q261 HydrophobicContact CG2-CG 3.52Å; L205-Q261 CarbonylContact O-C 3.55Å; L205-Q261 VanDerWaalsContact O-CA 3.26Å; L205-Q261 WeakPolarHBondContact O-CA 3.25Å; Q261-R263 VanDerWaalsContact OE1-NH2 3.11Å; Q261-R370 VanDerWaalsContact O-CD 3.28Å; Q261-R370 WeakPolarHBondContact O-CD 3.47Å
262A91.1Very high75.4Confident4 Ų445.6 Ų45.63%0.03327%0.273CS..EExtended strand (participates in β ladder)trans-121.3146.8173.200000110.7L52 L205L52-A262 HydrophobicContact CD1-CB 3.98Å; L52-A262 WeakPolarHBondContact O-CB 3.3Å; L205-A262 PolarHBondContact N-O 3.36Å; L205-A262 PolarHBondContact O-N 2.94Å
263R93.3Very high77.4Confident47 Ų4739.7 Ų39.718%0.17724%0.241CC..EExtended strand (participates in β ladder)trans-124.6131.3-177.2-63.8178.8-177.6150.4-5.4111.6N57 V58 T202 V203 T204 Q261 D325N57-R263 CarbonylContact C-O 3.52Å; N57-R263 VanDerWaalsContact CA-O 3.32Å; N57-R263 WeakPolarHBondContact CA-O 3.49Å; N57-R263 PolarHBondContact OD1-N 2.84Å; V58-R263 PolarHBondContact N-O 3.28Å; T202-R263 HydrophobicContact CG2-CB 4.34Å; T202-R263 HydrophobicContact CG2-CG 4.5Å; V203-R263 CarbonylContact O-C 3.56Å; V203-R263 WeakPolarHBondContact O-CA 3.48Å; T204-R263 HydrophobicContact CG2-CG 4.42Å; Q261-R263 VanDerWaalsContact OE1-NH2 3.11Å; R263-D325 IonicContact NH1-OD2 2.69Å
264L95.7Very high78.8Confident2 Ų235.3 Ų35.31%0.0121%0.213CC..EExtended strand (participates in β ladder)trans-103117.7165.9170.365.4000108.6L49 L52 V58 T202 V203 L266L49-L264 HydrophobicContact CD2-CD1 4.4Å; L49-L264 HydrophobicContact CD2-CD2 3.66Å; L52-L264 HydrophobicContact CD1-CB 3.81Å; L52-L264 HydrophobicContact CD2-CB 3.6Å; L52-L264 HydrophobicContact CD2-CD2 4.15Å; L52-L264 HydrophobicContact CD2-CG 4.43Å; L52-L264 HydrophobicContact CG-CB 4.31Å; V58-L264 HydrophobicContact CB-CD1 3.87Å; V58-L264 HydrophobicContact CG1-CD1 3.58Å; V58-L264 CarbonylContact O-C 3.53Å; V58-L264 WeakPolarHBondContact O-CA 3.33Å; T202-L264 CarbonylContact C-O 3.57Å; T202-L264 WeakPolarHBondContact CA-O 3.46Å; V203-L264 HydrophobicContact CB-CB 4.27Å; V203-L264 PolarHBondContact N-O 3.45Å; V203-L264 PolarHBondContact O-N 3.49Å; L264-L266 HydrophobicContact CD1-CD2 3.92Å; L264-L266 HydrophobicContact CD1-CG 4.36Å; L264-L266 HydrophobicContact CD2-CD1 4.29Å; L264-L266 HydrophobicContact CD2-CD2 4.32Å; L264-L266 HydrophobicContact CD2-CG 4.27Å; L264-L266 HydrophobicContact CG-CD2 4.15Å; L264-L266 HydrophobicContact CG-CG 4.07Å
265Q96.3Very high79.9Confident14 Ų1434.8 Ų34.87%0.06520%0.2CC..EExtended strand (participates in β ladder)trans-104.4119.6171.8-69.5-168.9-32.300109.9V58 C59 V60 I201 T202 V267 C326V58-Q265 PolarHBondContact O-N 2.89Å; C59-Q265 CarbonylContact C-O 3.52Å; C59-Q265 WeakPolarHBondContact CA-O 2.97Å; C59-Q265 HydrophobicContact CB-CB 4.41Å; V60-Q265 PolarHBondContact N-O 3.47Å; I201-Q265 WeakPolarHBondContact O-CA 3.47Å; T202-Q265 HydrophobicContact CG2-CG 4.06Å; Q265-V267 HydrophobicContact CB-CG2 4.31Å; Q265-C326 PolarHBondContact OE1-SG 2.66Å
266L97.4Very high80.9Confident4 Ų435.2 Ų35.22%0.02120%0.204CC..EExtended strand (participates in β ladder)trans-106.8113.9173.5-59.6172.9000107.7V60 M74 I95 I96 A99 I201 L264V60-L266 HydrophobicContact CB-CD2 4.03Å; V60-L266 HydrophobicContact CG2-CD2 4.3Å; V60-L266 WeakPolarHBondContact O-CA 3.09Å; M74-L266 HydrophobicContact CE-CB 3.83Å; I95-L266 HydrophobicContact CG2-CD2 4.23Å; I96-L266 HydrophobicContact CB-CD1 4.32Å; I96-L266 HydrophobicContact CG1-CB 4.06Å; I96-L266 HydrophobicContact CG1-CD1 3.86Å; I96-L266 HydrophobicContact CG2-CD1 4.38Å; A99-L266 HydrophobicContact CB-CD1 4.33Å; I201-L266 HydrophobicContact CB-CB 4.39Å; I201-L266 PolarHBondContact N-O 3.36Å; I201-L266 PolarHBondContact O-N 3.42Å; L264-L266 HydrophobicContact CD1-CD2 3.92Å; L264-L266 HydrophobicContact CD1-CG 4.36Å; L264-L266 HydrophobicContact CD2-CD1 4.29Å; L264-L266 HydrophobicContact CD2-CD2 4.32Å; L264-L266 HydrophobicContact CD2-CG 4.27Å; L264-L266 HydrophobicContact CG-CD2 4.15Å; L264-L266 HydrophobicContact CG-CG 4.07Å
267V97Very high81.5Confident0 Ų033.7 Ų33.70%021%0.205CC..EExtended strand (participates in β ladder)trans-119.6120.5-168.1-173.10000111.2V60 M61 A62 L199 I200 Q265 L269 L323V60-V267 PolarHBondContact O-N 3.35Å; M61-V267 VanDerWaalsContact CA-O 3.32Å; M61-V267 WeakPolarHBondContact CA-O 3.47Å; M61-V267 HydrophobicContact CB-CB 3.73Å; M61-V267 HydrophobicContact CB-CG1 4.29Å; M61-V267 HydrophobicContact CB-CG2 4.39Å; A62-V267 PolarHBondContact N-O 2.97Å; L199-V267 CarbonylContact O-C 3.27Å; L199-V267 WeakPolarHBondContact O-CA 3.29Å; I200-V267 HydrophobicContact CG1-CG1 3.92Å; I200-V267 HydrophobicContact CG1-CG2 4.22Å; I200-V267 HydrophobicContact CG2-CG2 4.37Å; Q265-V267 HydrophobicContact CB-CG2 4.31Å; V267-L269 HydrophobicContact CG1-CD2 3.54Å; V267-L269 HydrophobicContact CG1-CG 3.94Å; V267-L323 HydrophobicContact CG2-CD2 3.97Å
268D95.4Very high81.7Confident1 Ų132.6 Ų32.61%0.00519%0.194CC..EExtended strand (participates in β ladder)trans-106101.6169.6176.135.6000108.4K70 S71 M74 R183 H198 L199K70-D268 WeakPolarHBondContact CB-OD1 3.4Å; S71-D268 PolarHBondContact N-OD1 2.95Å; S71-D268 PolarHBondContact OG-OD1 3.27Å; S71-D268 PolarHBondContact OG-OD2 3.41Å; M74-D268 HydrophobicContact CB-CB 4.24Å; M74-D268 HydrophobicContact CG-CB 4.08Å; R183-D268 IonicContact CZ-OD2 2.66Å; R183-D268 IonicContact NH1-OD2 3.4Å; R183-D268 PolarHBondContact NH1-OD2 3.1Å; R183-D268 VanDerWaalsContact NH1-OD2 3.15Å; R183-D268 IonicContact NH2-OD2 3.83Å; H198-D268 WeakPolarHBondContact CA-O 3.36Å; L199-D268 HydrophobicContact CB-CB 4.29Å; L199-D268 PolarHBondContact N-O 3.47Å; L199-D268 PolarHBondContact O-N 3.01Å
269L94.3Very high81.6Confident1 Ų130.4 Ų30.41%0.00520%0.201CC..PPolyproline II helixtrans-77.2154.8-176.4-63.2174.2000111.6A62 Y63 K70 H198 V267 L295 L298 L319A62-L269 WeakPolarHBondContact O-CB 3.43Å; A62-L269 WeakPolarHBondContact O-CG 3.39Å; A62-L269 PolarHBondContact O-N 3.01Å; Y63-L269 HydrophobicContact CD2-CD1 3.75Å; Y63-L269 HydrophobicContact CG-CD1 4.44Å; K70-L269 WeakPolarHBondContact CD-O 3.5Å; K70-L269 WeakPolarHBondContact CE-O 3.24Å; H198-L269 HydrophobicContact CB-CD2 4.3Å; H198-L269 WeakPolarHBondContact ND1-CA 3.34Å; H198-L269 WeakPolarHBondContact ND1-CD2 3.39Å; V267-L269 HydrophobicContact CG1-CD2 3.54Å; V267-L269 HydrophobicContact CG1-CG 3.94Å; L269-L295 HydrophobicContact CB-CD2 4.35Å; L269-L295 HydrophobicContact CD1-CD2 4.36Å; L269-L298 HydrophobicContact CD1-CD2 3.8Å; L269-L319 HydrophobicContact CD2-CD1 4Å; L269-L319 HydrophobicContact CD2-CD2 3.99Å
270A91.1Very high81.2Confident0 Ų028.6 Ų28.60%019%0.194CC..PPolyproline II helixtrans-61.9164.4167.600000111.6S195 H198 I291S195-A270 WeakPolarHBondContact O-CA 3.36Å; S195-A270 WeakPolarHBondContact O-CB 3.4Å; H198-A270 VanDerWaalsContact CE1-CB 3.43Å; H198-A270 WeakPolarHBondContact CE1-CB 3.47Å; H198-A270 PolarHBondContact ND1-N 3.38Å; A270-I291 HydrophobicContact CB-CG2 3.58Å
271G89Confident80.7Confident0 Ų032.7 Ų32.70%022%0.219CC..PPolyproline II helixtrans-70.3140.8178.600000114.2T66 S195 E273 I291 L295T66-G271 WeakPolarHBondContact OG1-CA 3.44Å; S195-G271 PolarHBondContact O-N 3.38Å; G271-E273 VanDerWaalsContact C-N 3.32Å; G271-E273 WeakPolarHBondContact CA-OE2 3.39Å; G271-E273 PolarHBondContact O-N 3.07Å; G271-I291 WeakPolarHBondContact O-CG2 3.41Å; G271-L295 WeakPolarHBondContact O-CD1 3.38Å
272S84.4Confident80.3Confident10 Ų1033.2 Ų33.27%0.0724%0.236CC..  trans-8818.3178.360.80000115Y63 G64 Q65Y63-S272 WeakPolarHBondContact OH-CB 3.28Å; G64-S272 PolarHBondContact O-N 3.1Å; Q65-S272 PolarHBondContact N-OG 2.94Å
273E73.9Confident79.5Confident21 Ų2135.7 Ų35.710%0.09825%0.253CS..  trans-63.4151.6-174.660.4-87.2-161.300115T66 R196 G271 N292T66-E273 WeakPolarHBondContact CB-OE2 3.46Å; T66-E273 PolarHBondContact N-OE2 2.93Å; T66-E273 PolarHBondContact OG1-OE1 3.01Å; T66-E273 PolarHBondContact OG1-OE2 3.05Å; R196-E273 IonicContact CZ-OE1 3.32Å; R196-E273 IonicContact NH1-OE1 2.72Å; R196-E273 PolarHBondContact NH1-OE1 3.49Å; R196-E273 IonicContact NH2-OE1 3.95Å; R196-E273 PolarHBondContact NH2-OE1 3.09Å; G271-E273 VanDerWaalsContact C-N 3.32Å; G271-E273 WeakPolarHBondContact CA-OE2 3.39Å; G271-E273 PolarHBondContact O-N 3.07Å; E273-N292 PolarHBondContact O-ND2 3.24Å; E273-N292 PolarHBondContact O-OD1 2.85Å
274C65Low78.5Confident41 Ų4133.5 Ų33.528%0.27724%0.244SC..  trans-80.1129.4177.6-600000111.8G276 V277C274-G276 PolarHBondContact O-N 2.91Å; C274-G276 VanDerWaalsContact O-N 3.13Å; C274-V277 HydrophobicContact CB-CG2 4.27Å; C274-V277 PolarHBondContact O-N 3.49Å
275I60.3Low77.7Confident60 Ų6036.6 Ų36.631%0.30826%0.261SS..Hα-helixtrans-51.6-36175.8-68.4162.5000112.7V277 S278 L285 T288 A289I275-V277 PolarHBondContact O-N 2.94Å; I275-S278 PolarHBondContact O-N 3.3Å; I275-S278 PolarHBondContact O-OG 3.36Å; I275-S278 VanDerWaalsContact O-OG 3.12Å; I275-L285 HydrophobicContact CG2-CD1 3.22Å; I275-T288 HydrophobicContact CD1-CG2 4.48Å; I275-T288 HydrophobicContact CG1-CG2 3.51Å; I275-A289 HydrophobicContact CD1-CB 4.15Å
276G56.7Low76.8Confident79 Ų7945.4 Ų45.481%0.81429%0.293SS*.Hα-helixtrans-65.9-18.5-178.600000114.8C274C274-G276 PolarHBondContact O-N 2.91Å; C274-G276 VanDerWaalsContact O-N 3.13Å
277V56.3Low75.9Confident114 Ų11445.7 Ų45.769%0.69130%0.295SS*.Hα-helixtrans-95.6-22.1-178.3-173.20000111.6C274 I275C274-V277 HydrophobicContact CB-CG2 4.27Å; C274-V277 PolarHBondContact O-N 3.49Å; I275-V277 PolarHBondContact O-N 2.94Å
278S61.9Low75Confident47 Ų4745.8 Ų45.833%0.32930%0.295SS..Hα-helixtrans-85.7-16.4-173.164.20000114.1I275 V280I275-S278 PolarHBondContact O-N 3.3Å; I275-S278 PolarHBondContact O-OG 3.36Å; I275-S278 VanDerWaalsContact O-OG 3.12Å; S278-V280 PolarHBondContact O-N 3.2Å; S278-V280 VanDerWaalsContact O-N 3.07Å; S278-V280 WeakPolarHBondContact OG-CG2 3.4Å
279G64.7Low74.4Confident68 Ų6847.2 Ų47.270%0.70131%0.307SS*.  trans62.912.9-179.700000114.3
280V69.6Low74Confident21 Ų2147.9 Ų47.913%0.12731%0.312CS..  trans-72138.9-175.8-63.50000111.4S278 A284 L285S278-V280 PolarHBondContact O-N 3.2Å; S278-V280 VanDerWaalsContact O-N 3.07Å; S278-V280 WeakPolarHBondContact OG-CG2 3.4Å; V280-A284 HydrophobicContact CB-CB 3.96Å; V280-A284 HydrophobicContact CG1-CB 4.3Å; V280-L285 HydrophobicContact CG2-CB 4.36Å; V280-L285 HydrophobicContact CG2-CD1 4.22Å
281T72.8Confident73.7Confident113 Ų11348.1 Ų48.169%0.69331%0.313SS*.  trans-125.4168.5178.960.70000110.9S283 A284T281-S283 PolarHBondContact O-N 3.31Å; T281-A284 PolarHBondContact O-N 3.41Å
282G80.3Confident73.7Confident51 Ų5149.9 Ų49.953%0.52632%0.322SS..Hα-helixtrans63.2-129.3172.900000114.6L285 R286G282-L285 WeakPolarHBondContact O-CB 3.4Å; G282-L285 PolarHBondContact O-N 3.27Å; G282-R286 PolarHBondContact O-N 3.19Å
283S73.6Confident74Confident55 Ų5557.3 Ų57.339%0.38535%0.349SS..Hα-helixtrans-65.2-39.8-178.146.80000113T281 L285 R286 E287T281-S283 PolarHBondContact O-N 3.31Å; S283-L285 VanDerWaalsContact C-N 3.26Å; S283-L285 PolarHBondContact O-N 2.9Å; S283-R286 WeakPolarHBondContact O-CB 3.41Å; S283-R286 PolarHBondContact O-N 3.48Å; S283-R286 VanDerWaalsContact O-N 3.11Å; S283-E287 PolarHBondContact O-N 2.88Å
284A72.5Confident75Confident1 Ų156.6 Ų56.61%0.00835%0.346CS..Hα-helixtrans-63.1-31.5176.800000113.4V190 V280 T281 E287 T288V190-A284 HydrophobicContact CB-CB 3.71Å; V190-A284 HydrophobicContact CG1-CB 3.81Å; V190-A284 HydrophobicContact CG2-CB 3.57Å; V280-A284 HydrophobicContact CB-CB 3.96Å; V280-A284 HydrophobicContact CG1-CB 4.3Å; T281-A284 PolarHBondContact O-N 3.41Å; A284-E287 PolarHBondContact O-N 3.06Å; A284-T288 WeakPolarHBondContact O-CB 3.14Å; A284-T288 PolarHBondContact O-N 3.31Å; A284-T288 PolarHBondContact O-OG1 3.16Å
285L78.1Confident76.3Confident68 Ų6854.9 Ų54.936%0.35633%0.334SS..Hα-helixtrans-64.7-42.8173.9179.463.4000111.3I275 V280 G282 S283 T288 A289I275-L285 HydrophobicContact CG2-CD1 3.22Å; V280-L285 HydrophobicContact CG2-CB 4.36Å; V280-L285 HydrophobicContact CG2-CD1 4.22Å; G282-L285 WeakPolarHBondContact O-CB 3.4Å; G282-L285 PolarHBondContact O-N 3.27Å; S283-L285 VanDerWaalsContact C-N 3.26Å; S283-L285 PolarHBondContact O-N 2.9Å; L285-T288 PolarHBondContact O-N 3.34Å; L285-A289 VanDerWaalsContact O-CB 3.29Å; L285-A289 WeakPolarHBondContact O-CB 3.35Å; L285-A289 PolarHBondContact O-N 3.27Å
286R78.9Confident77.9Confident198 Ų19854.3 Ų54.375%0.74734%0.339SS*.Hα-helixtrans-65-42177.4-64.4179-179.21660.4111.4G282 S283 A289 C290G282-R286 PolarHBondContact O-N 3.19Å; S283-R286 WeakPolarHBondContact O-CB 3.41Å; S283-R286 PolarHBondContact O-N 3.48Å; S283-R286 VanDerWaalsContact O-N 3.11Å; R286-A289 PolarHBondContact O-N 2.77Å; R286-C290 PolarHBondContact O-N 3.1Å
287E77.4Confident79.7Confident11 Ų1150.8 Ų50.85%0.05130%0.301CS..Hα-helixtrans-60.6-52.2175.5-175-17315800111.5Y125 R196 S283 A284 A289 C290 I291Y125-E287 HydrophobicContact CE2-CG 3.84Å; Y125-E287 WeakPolarHBondContact CE2-OE1 3.5Å; Y125-E287 PolarHBondContact OH-OE1 3.28Å; Y125-E287 PolarHBondContact OH-OE2 3.09Å; R196-E287 VanDerWaalsContact CB-OE1 3.28Å; R196-E287 WeakPolarHBondContact CB-OE1 3.46Å; R196-E287 WeakPolarHBondContact CG-OE1 3.36Å; S283-E287 PolarHBondContact O-N 2.88Å; A284-E287 PolarHBondContact O-N 3.06Å; E287-A289 VanDerWaalsContact C-N 3.26Å; E287-A289 PolarHBondContact O-N 3.36Å; E287-C290 WeakPolarHBondContact O-CA 3.43Å; E287-C290 WeakPolarHBondContact O-CB 3.46Å; E287-C290 PolarHBondContact O-N 2.97Å; E287-I291 HydrophobicContact CG-CD1 4.36Å; E287-I291 PolarHBondContact O-N 2.93Å
288T78.9Confident81.5Confident1 Ų145.3 Ų45.31%0.00627%0.269CS..Hα-helixtrans-58.6-40176.8-52.60000111.4I275 A284 L285 C290 I291 N292I275-T288 HydrophobicContact CD1-CG2 4.48Å; I275-T288 HydrophobicContact CG1-CG2 3.51Å; A284-T288 WeakPolarHBondContact O-CB 3.14Å; A284-T288 PolarHBondContact O-N 3.31Å; A284-T288 PolarHBondContact O-OG1 3.16Å; L285-T288 PolarHBondContact O-N 3.34Å; T288-C290 VanDerWaalsContact C-N 3.31Å; T288-C290 PolarHBondContact O-N 2.93Å; T288-I291 PolarHBondContact O-N 3.31Å; T288-N292 WeakPolarHBondContact O-CB 3.45Å; T288-N292 PolarHBondContact O-N 2.88Å
289A83.6Confident83Confident31 Ų3143.7 Ų43.726%0.25626%0.258SS..Hα-helixtrans-64.4-34.5174.600000112.7I275 L285 R286 E287 R293I275-A289 HydrophobicContact CD1-CB 4.15Å; L285-A289 VanDerWaalsContact O-CB 3.29Å; L285-A289 WeakPolarHBondContact O-CB 3.35Å; L285-A289 PolarHBondContact O-N 3.27Å; R286-A289 PolarHBondContact O-N 2.77Å; E287-A289 VanDerWaalsContact C-N 3.26Å; E287-A289 PolarHBondContact O-N 3.36Å; A289-R293 VanDerWaalsContact O-CB 3.28Å; A289-R293 WeakPolarHBondContact O-CB 3.37Å; A289-R293 PolarHBondContact O-N 3.23Å
290C85.5Confident84.4Confident16 Ų1644.6 Ų44.611%0.10825%0.247CC..Hα-helixtrans-70.6-43.3176.9-160.40000112.1N126 R286 E287 T288 N292 R293 S294N126-C290 VanDerWaalsContact CA-SG 3.52Å; N126-C290 WeakPolarHBondContact OD1-CB 3.43Å; N126-C290 PolarHBondContact OD1-SG 3.11Å; R286-C290 PolarHBondContact O-N 3.1Å; E287-C290 WeakPolarHBondContact O-CA 3.43Å; E287-C290 WeakPolarHBondContact O-CB 3.46Å; E287-C290 PolarHBondContact O-N 2.97Å; T288-C290 VanDerWaalsContact C-N 3.31Å; T288-C290 PolarHBondContact O-N 2.93Å; C290-N292 PolarHBondContact O-N 3.1Å; C290-R293 WeakPolarHBondContact O-CB 3.3Å; C290-R293 PolarHBondContact O-N 3.39Å; C290-S294 PolarHBondContact O-N 3.46Å
291I85.1Confident85.6Confident5 Ų543.6 Ų43.63%0.02624%0.241CC..Hα-helixtrans-55.8-53.7173.4-67.2159.2000110.1R196 A270 G271 E287 T288 R293 S294 L295R196-I291 HydrophobicContact CB-CD1 3.87Å; R196-I291 HydrophobicContact CG-CD1 4.24Å; R196-I291 VanDerWaalsContact O-CD1 3.3Å; R196-I291 WeakPolarHBondContact O-CD1 3.38Å; R196-I291 WeakPolarHBondContact O-CG1 3.16Å; A270-I291 HydrophobicContact CB-CG2 3.58Å; G271-I291 WeakPolarHBondContact O-CG2 3.41Å; E287-I291 HydrophobicContact CG-CD1 4.36Å; E287-I291 PolarHBondContact O-N 2.93Å; T288-I291 PolarHBondContact O-N 3.31Å; I291-R293 VanDerWaalsContact C-N 3.27Å; I291-R293 PolarHBondContact O-N 3.23Å; I291-S294 PolarHBondContact O-N 2.84Å; I291-S294 VanDerWaalsContact O-N 3.1Å; I291-S294 PolarHBondContact O-OG 3.33Å; I291-L295 HydrophobicContact CG2-CD1 4.14Å; I291-L295 PolarHBondContact O-N 3.45Å; I291-L295 VanDerWaalsContact O-N 3.09Å
292N88.2Confident86.4Confident36 Ų3638.2 Ų38.219%0.19321%0.208CC..Hα-helixtrans-62.5-34.3-179.5-76.9-23.8000112.8E273 T288 C290 L295 A296E273-N292 PolarHBondContact O-ND2 3.24Å; E273-N292 PolarHBondContact O-OD1 2.85Å; T288-N292 WeakPolarHBondContact O-CB 3.45Å; T288-N292 PolarHBondContact O-N 2.88Å; C290-N292 PolarHBondContact O-N 3.1Å; N292-L295 PolarHBondContact O-N 2.85Å; N292-A296 VanDerWaalsContact O-CB 3.23Å; N292-A296 WeakPolarHBondContact O-CB 3.34Å; N292-A296 PolarHBondContact O-N 2.83Å
293R91.7Very high86.9Confident167 Ų16736.1 Ų36.163%0.6319%0.186SC*.Hα-helixtrans-62.9-43.4174-170.3-172.4-48.5-114.1-2.6112.1A289 C290 I291 A296 A297A289-R293 VanDerWaalsContact O-CB 3.28Å; A289-R293 WeakPolarHBondContact O-CB 3.37Å; A289-R293 PolarHBondContact O-N 3.23Å; C290-R293 WeakPolarHBondContact O-CB 3.3Å; C290-R293 PolarHBondContact O-N 3.39Å; I291-R293 VanDerWaalsContact C-N 3.27Å; I291-R293 PolarHBondContact O-N 3.23Å; R293-A296 PolarHBondContact O-N 3.36Å; R293-A297 WeakPolarHBondContact O-CB 2.81Å; R293-A297 PolarHBondContact O-N 3.31Å
294S93.7Very high87.8Confident6 Ų633.5 Ų33.54%0.04217%0.168CC..Hα-helixtrans-66.2-38.717866.10000112.8H198 C290 I291 A297 L298H198-S294 PolarHBondContact NE2-OG 2.6Å; C290-S294 PolarHBondContact O-N 3.46Å; I291-S294 PolarHBondContact O-N 2.84Å; I291-S294 VanDerWaalsContact O-N 3.1Å; I291-S294 PolarHBondContact O-OG 3.33Å; S294-A297 PolarHBondContact O-N 2.84Å; S294-L298 PolarHBondContact O-N 2.83Å
295L93.3Very high88.6Confident5 Ų534.7 Ų34.73%0.02617%0.174CC..Hα-helixtrans-72.6-34.8176.3-65.2177.2000112.6Y63 L269 G271 I291 N292 L298 A299Y63-L295 HydrophobicContact CD2-CD2 4.34Å; Y63-L295 HydrophobicContact CE2-CD2 4Å; L269-L295 HydrophobicContact CB-CD2 4.35Å; L269-L295 HydrophobicContact CD1-CD2 4.36Å; G271-L295 WeakPolarHBondContact O-CD1 3.38Å; I291-L295 HydrophobicContact CG2-CD1 4.14Å; I291-L295 PolarHBondContact O-N 3.45Å; I291-L295 VanDerWaalsContact O-N 3.09Å; N292-L295 PolarHBondContact O-N 2.85Å; L295-L298 WeakPolarHBondContact O-CB 3.36Å; L295-L298 PolarHBondContact O-N 2.85Å; L295-A299 PolarHBondContact O-N 2.77Å
296A92.7Very high89Confident48 Ų4832.4 Ų32.440%0.39716%0.163SC..Hα-helixtrans-64.7-46171.900000111N292 R293 L298 A299 D300N292-A296 VanDerWaalsContact O-CB 3.23Å; N292-A296 WeakPolarHBondContact O-CB 3.34Å; N292-A296 PolarHBondContact O-N 2.83Å; R293-A296 PolarHBondContact O-N 3.36Å; A296-L298 PolarHBondContact O-N 3.25Å; A296-A299 CarbonylContact O-C 3.56Å; A296-A299 WeakPolarHBondContact O-CB 3.46Å; A296-A299 PolarHBondContact O-N 3.12Å; A296-D300 VanDerWaalsContact O-CG 3.28Å; A296-D300 PolarHBondContact O-N 2.98Å
297A94.9Very high89.5Confident4 Ų428.3 Ų28.33%0.03315%0.153CC..Hα-helixtrans-57.7-39.4174.100000111.9R293 S294 D300 V301 N316 T320R293-A297 WeakPolarHBondContact O-CB 2.81Å; R293-A297 PolarHBondContact O-N 3.31Å; S294-A297 PolarHBondContact O-N 2.84Å; A297-D300 PolarHBondContact O-N 2.83Å; A297-V301 WeakPolarHBondContact O-CG2 3.35Å; A297-V301 PolarHBondContact O-N 3.23Å; A297-N316 HydrophobicContact CB-CB 3.87Å; A297-T320 HydrophobicContact CB-CG2 4.09Å
298L94.8Very high90.1Very high0 Ų034 Ų340%018%0.179CC..Hα-helixtrans-62-45174.3-178.963.9000112L269 S294 L295 A296 D300 V301 L302 L319 T320 L327 F355L269-L298 HydrophobicContact CD1-CD2 3.8Å; S294-L298 PolarHBondContact O-N 2.83Å; L295-L298 WeakPolarHBondContact O-CB 3.36Å; L295-L298 PolarHBondContact O-N 2.85Å; A296-L298 PolarHBondContact O-N 3.25Å; L298-D300 VanDerWaalsContact C-N 3.33Å; L298-D300 PolarHBondContact O-N 3.15Å; L298-V301 PolarHBondContact O-N 3.07Å; L298-L302 WeakPolarHBondContact O-CG 3.46Å; L298-L302 PolarHBondContact O-N 2.99Å; L298-L302 VanDerWaalsContact O-N 3.1Å; L298-L319 HydrophobicContact CD2-CD2 4.49Å; L298-T320 VanDerWaalsContact CA-CG2 3.42Å; L298-T320 HydrophobicContact CB-CG2 3.98Å; L298-T320 HydrophobicContact CD1-CG2 4.2Å; L298-L327 HydrophobicContact CD1-CD1 3.39Å; L298-L327 HydrophobicContact CD1-CD2 3.85Å; L298-L327 HydrophobicContact CD1-CG 4.27Å; L298-F355 HydrophobicContact CD2-CE2 4.05Å; L298-F355 HydrophobicContact CD2-CZ 3.81Å; L298-F355 HydrophobicContact CG-CE2 3.98Å; L298-F355 HydrophobicContact CG-CZ 4.01Å
299A92.9Very high90.6Very high12 Ų1240.1 Ų40.110%0.09920%0.202CC..Hα-helixtrans-63.1-38.6175.100000112.4L295 A296 L302 G303 F355L295-A299 PolarHBondContact O-N 2.77Å; A296-A299 CarbonylContact O-C 3.56Å; A296-A299 WeakPolarHBondContact O-CB 3.46Å; A296-A299 PolarHBondContact O-N 3.12Å; A299-L302 PolarHBondContact O-N 2.91Å; A299-G303 PolarHBondContact O-N 3.49Å; A299-F355 HydrophobicContact CB-CD2 4.07Å; A299-F355 HydrophobicContact CB-CE2 4.31Å
300D94.1Very high91Very high88 Ų8845.1 Ų45.147%0.47124%0.235SC..Hα-helixtrans-65.6-40.3177.2-68.5-22.6000111.7A296 A297 L298 G303 A304 P313A296-D300 VanDerWaalsContact O-CG 3.28Å; A296-D300 PolarHBondContact O-N 2.98Å; A297-D300 PolarHBondContact O-N 2.83Å; L298-D300 VanDerWaalsContact C-N 3.33Å; L298-D300 PolarHBondContact O-N 3.15Å; D300-G303 PolarHBondContact O-N 3.49Å; D300-A304 VanDerWaalsContact O-CB 3.24Å; D300-A304 WeakPolarHBondContact O-CB 3.35Å; D300-A304 PolarHBondContact O-N 2.89Å; D300-P313 HydrophobicContact CB-CG 4.32Å
301V94.1Very high91.3Very high0 Ų050.7 Ų50.70%026%0.259CS..Hα-helixtrans-61.5-48.6174.2164.20000110.8A297 L298 G303 A304 L305 I312 P313 Y314 T320 L327A297-V301 WeakPolarHBondContact O-CG2 3.35Å; A297-V301 PolarHBondContact O-N 3.23Å; L298-V301 PolarHBondContact O-N 3.07Å; V301-G303 PolarHBondContact O-N 3.33Å; V301-A304 PolarHBondContact O-N 3.19Å; V301-L305 HydrophobicContact CG1-CD1 3.91Å; V301-L305 WeakPolarHBondContact O-CB 3.41Å; V301-L305 VanDerWaalsContact O-CG 3.31Å; V301-L305 WeakPolarHBondContact O-CG 3.38Å; V301-L305 PolarHBondContact O-N 3.46Å; V301-I312 HydrophobicContact CB-CG2 4.38Å; V301-I312 HydrophobicContact CG1-CG2 3.9Å; V301-I312 HydrophobicContact CG2-CG2 4.33Å; V301-P313 HydrophobicContact CG2-CG 4.1Å; V301-Y314 HydrophobicContact CG1-CD1 3.74Å; V301-Y314 HydrophobicContact CG1-CE1 3.4Å; V301-Y314 HydrophobicContact CG2-CD1 4.11Å; V301-T320 HydrophobicContact CB-CG2 4.47Å; V301-T320 HydrophobicContact CG2-CG2 3.91Å; V301-L327 HydrophobicContact CG1-CB 4.22Å; V301-L327 HydrophobicContact CG1-CD1 4.07Å
302L90.9Very high91.7Very high0 Ų051.9 Ų51.90%027%0.265CS..Hα-helixtrans-62.7-42.2177.8-68.4173.7000111.9L298 A299 L305 S306 L327 F355 R358 A359 V362L298-L302 WeakPolarHBondContact O-CG 3.46Å; L298-L302 PolarHBondContact O-N 2.99Å; L298-L302 VanDerWaalsContact O-N 3.1Å; A299-L302 PolarHBondContact O-N 2.91Å; L302-L305 WeakPolarHBondContact O-CB 3.38Å; L302-L305 PolarHBondContact O-N 3.37Å; L302-S306 PolarHBondContact O-N 3.28Å; L302-S306 PolarHBondContact O-OG 2.91Å; L302-L327 HydrophobicContact CD2-CD2 4.06Å; L302-F355 HydrophobicContact CD1-CD2 4.34Å; L302-F355 HydrophobicContact CD1-CE1 3.91Å; L302-F355 HydrophobicContact CD1-CE2 3.58Å; L302-F355 HydrophobicContact CD1-CZ 3.33Å; L302-R358 HydrophobicContact CB-CB 4.48Å; L302-A359 HydrophobicContact CD1-CB 4.01Å; L302-V362 HydrophobicContact CB-CG2 4.4Å; L302-V362 HydrophobicContact CD2-CG2 3.94Å; L302-V362 WeakPolarHBondContact O-CG2 3.28Å
303G90.9Very high92Very high6 Ų651 Ų516%0.06226%0.262CS..Hα-helixtrans-62.9-44.9175.800000112.6A299 D300 V301 L305 S306 E307A299-G303 PolarHBondContact O-N 3.49Å; D300-G303 PolarHBondContact O-N 3.49Å; V301-G303 PolarHBondContact O-N 3.33Å; G303-L305 VanDerWaalsContact C-N 3.28Å; G303-L305 PolarHBondContact O-N 3.37Å; G303-S306 WeakPolarHBondContact CA-OG 3.23Å; G303-S306 PolarHBondContact O-N 3Å; G303-S306 PolarHBondContact O-OG 3.32Å; G303-E307 WeakPolarHBondContact O-CB 3.42Å; G303-E307 VanDerWaalsContact O-CG 3.29Å; G303-E307 WeakPolarHBondContact O-CG 3.43Å; G303-E307 PolarHBondContact O-N 2.84Å
304A92.1Very high92Very high1 Ų144.4 Ų44.41%0.00824%0.237CC..Hα-helixtrans-62.4-37.2176.300000112.1D300 V301 H308 R309 I312D300-A304 VanDerWaalsContact O-CB 3.24Å; D300-A304 WeakPolarHBondContact O-CB 3.35Å; D300-A304 PolarHBondContact O-N 2.89Å; V301-A304 PolarHBondContact O-N 3.19Å; A304-H308 PolarHBondContact O-N 3.42Å; A304-R309 HydrophobicContact CB-CB 4.27Å; A304-R309 HydrophobicContact CB-CG 4.28Å; A304-R309 PolarHBondContact O-N 2.97Å; A304-I312 HydrophobicContact CB-CD1 3.74Å; A304-I312 HydrophobicContact CB-CG2 4.35Å; A304-I312 WeakPolarHBondContact O-CD1 3.39Å
305L89.4Confident91.9Very high26 Ų2652.6 Ų52.614%0.13627%0.267CS..Hα-helixtrans-67.7-47.1175.4-79.5168.5000112.2V301 L302 G303 E307 H308 I312 Y314 L327 V362V301-L305 HydrophobicContact CG1-CD1 3.91Å; V301-L305 WeakPolarHBondContact O-CB 3.41Å; V301-L305 VanDerWaalsContact O-CG 3.31Å; V301-L305 WeakPolarHBondContact O-CG 3.38Å; V301-L305 PolarHBondContact O-N 3.46Å; L302-L305 WeakPolarHBondContact O-CB 3.38Å; L302-L305 PolarHBondContact O-N 3.37Å; G303-L305 VanDerWaalsContact C-N 3.28Å; G303-L305 PolarHBondContact O-N 3.37Å; L305-E307 PolarHBondContact O-N 2.93Å; L305-H308 PolarHBondContact O-N 3.07Å; L305-H308 VanDerWaalsContact O-N 3.09Å; L305-I312 HydrophobicContact CD2-CD1 4.07Å; L305-I312 HydrophobicContact CD2-CG1 4.08Å; L305-I312 HydrophobicContact CD2-CG2 4.46Å; L305-I312 HydrophobicContact CG-CD1 4.2Å; L305-I312 HydrophobicContact CG-CG1 4.44Å; L305-I312 HydrophobicContact CG-CG2 4.08Å; L305-Y314 WeakPolarHBondContact CD2-OH 3.38Å; L305-L327 HydrophobicContact CD1-CB 4.45Å; L305-L327 VanDerWaalsContact CD1-O 3.28Å; L305-L327 WeakPolarHBondContact CD1-O 3.34Å; L305-V362 HydrophobicContact CB-CG1 3.99Å; L305-V362 HydrophobicContact CB-CG2 3.84Å; L305-V362 HydrophobicContact CD1-CG1 4.31Å
306S86.2Confident91.9Very high20 Ų2056.8 Ų56.814%0.1429%0.289CS..Hα-helixtrans-64.2-29.6178.157.90000112.8L302 G303 H308L302-S306 PolarHBondContact O-N 3.28Å; L302-S306 PolarHBondContact O-OG 2.91Å; G303-S306 WeakPolarHBondContact CA-OG 3.23Å; G303-S306 PolarHBondContact O-N 3Å; G303-S306 PolarHBondContact O-OG 3.32Å; S306-H308 VanDerWaalsContact C-N 3.32Å
307E89.7Confident92Very high112 Ų11254.7 Ų54.752%0.52327%0.272SS..THydrogen-bonded Turntrans-88.22.5176.9-68.1173.9-15100113.3G303 L305 R309G303-E307 WeakPolarHBondContact O-CB 3.42Å; G303-E307 VanDerWaalsContact O-CG 3.29Å; G303-E307 WeakPolarHBondContact O-CG 3.43Å; G303-E307 PolarHBondContact O-N 2.84Å; L305-E307 PolarHBondContact O-N 2.93Å; E307-R309 HydrophobicContact CB-CG 3.99Å; E307-R309 PolarHBondContact O-N 3.49Å; E307-R309 IonicContact OE1-NH2 3.15Å; E307-R309 PolarHBondContact OE1-NH2 3.3Å; E307-R309 VanDerWaalsContact OE1-NH2 3.08Å; E307-R309 IonicContact OE2-CZ 3.09Å; E307-R309 IonicContact OE2-NE 3.42Å; E307-R309 PolarHBondContact OE2-NE 3.13Å; E307-R309 IonicContact OE2-NH2 2.92Å; E307-R309 PolarHBondContact OE2-NH2 3.1Å
308H88.4Confident91.8Very high130 Ų13057.9 Ų57.960%0.60228%0.283SS*.THydrogen-bonded Turntrans51.139.7-176.7-55.8-65000113.6A304 L305 S306A304-H308 PolarHBondContact O-N 3.42Å; L305-H308 PolarHBondContact O-N 3.07Å; L305-H308 VanDerWaalsContact O-N 3.09Å; S306-H308 VanDerWaalsContact C-N 3.32Å
309R91.4Very high91.8Very high129 Ų12957.9 Ų57.949%0.48728%0.283SS..  trans-64.2144.5177.5-61.3-172.2-170.8171.44.1110.2A304 E307 H311 I312A304-R309 HydrophobicContact CB-CB 4.27Å; A304-R309 HydrophobicContact CB-CG 4.28Å; A304-R309 PolarHBondContact O-N 2.97Å; E307-R309 HydrophobicContact CB-CG 3.99Å; E307-R309 PolarHBondContact O-N 3.49Å; E307-R309 IonicContact OE1-NH2 3.15Å; E307-R309 PolarHBondContact OE1-NH2 3.3Å; E307-R309 VanDerWaalsContact OE1-NH2 3.08Å; E307-R309 IonicContact OE2-CZ 3.09Å; E307-R309 IonicContact OE2-NE 3.42Å; E307-R309 PolarHBondContact OE2-NE 3.13Å; E307-R309 IonicContact OE2-NH2 2.92Å; E307-R309 PolarHBondContact OE2-NH2 3.1Å; R309-H311 VanDerWaalsContact C-N 3.27Å; R309-H311 PolarHBondContact O-N 2.66Å; R309-I312 HydrophobicContact CB-CD1 4.38Å; R309-I312 WeakPolarHBondContact O-CD1 3.39Å
310S90.3Very high91.8Very high136 Ų13657.3 Ų57.395%0.95128%0.278SS*.SBendtrans-64.4-31.7178.757.10000113.4
311H93.4Very high91.6Very high134 Ų13453.6 Ų53.662%0.6226%0.258SS*.SBendtrans-116.1121.8176.6175-88.2000110.1R309R309-H311 VanDerWaalsContact C-N 3.27Å; R309-H311 PolarHBondContact O-N 2.66Å
312I93.1Very high91.4Very high30 Ų3054.6 Ų54.615%0.15426%0.263CS..  trans-103.6125.4175.1-47.8-58.8000109.4V301 A304 L305 R309 Y314V301-I312 HydrophobicContact CB-CG2 4.38Å; V301-I312 HydrophobicContact CG1-CG2 3.9Å; V301-I312 HydrophobicContact CG2-CG2 4.33Å; A304-I312 HydrophobicContact CB-CD1 3.74Å; A304-I312 HydrophobicContact CB-CG2 4.35Å; A304-I312 WeakPolarHBondContact O-CD1 3.39Å; L305-I312 HydrophobicContact CD2-CD1 4.07Å; L305-I312 HydrophobicContact CD2-CG1 4.08Å; L305-I312 HydrophobicContact CD2-CG2 4.46Å; L305-I312 HydrophobicContact CG-CD1 4.2Å; L305-I312 HydrophobicContact CG-CG1 4.44Å; L305-I312 HydrophobicContact CG-CG2 4.08Å; R309-I312 HydrophobicContact CB-CD1 4.38Å; R309-I312 WeakPolarHBondContact O-CD1 3.39Å; I312-Y314 VanDerWaalsContact C-N 3.25Å; I312-Y314 HydrophobicContact CB-CD2 3.98Å; I312-Y314 HydrophobicContact CB-CE2 3.44Å; I312-Y314 VanDerWaalsContact CB-CE2 3.44Å; I312-Y314 HydrophobicContact CG1-CE2 4.19Å; I312-Y314 HydrophobicContact CG2-CD1 4.25Å; I312-Y314 HydrophobicContact CG2-CD2 4Å; I312-Y314 HydrophobicContact CG2-CE1 3.75Å; I312-Y314 HydrophobicContact CG2-CE2 3.49Å; I312-Y314 VanDerWaalsContact CG2-CE2 3.49Å; I312-Y314 HydrophobicContact CG2-CG 4.34Å; I312-Y314 WeakPolarHBondContact CG2-OH 3.31Å; I312-Y314 PolarHBondContact O-N 3.46Å
313P94.3Very high91.4Very high17 Ų1754.6 Ų54.611%0.1126%0.263CS..  trans-82.551.2-169.234.8-38000114.1D300 V301 R315 N316D300-P313 HydrophobicContact CB-CG 4.32Å; V301-P313 HydrophobicContact CG2-CG 4.1Å; P313-R315 PolarHBondContact O-N 2.85Å; P313-N316 HydrophobicContact CB-CB 4.48Å; P313-N316 WeakPolarHBondContact O-CB 3.5Å; P313-N316 PolarHBondContact O-N 3.09Å; P313-N316 VanDerWaalsContact O-N 3.1Å
314Y91.9Very high91.3Very high29 Ų2956.2 Ų56.211%0.11427%0.269CS..G310 helixtrans-56.6-28.6-179.7-62.8-68.2000113.5V301 L305 I312 N316 T320 H321 Q324 L327 G328V301-Y314 HydrophobicContact CG1-CD1 3.74Å; V301-Y314 HydrophobicContact CG1-CE1 3.4Å; V301-Y314 HydrophobicContact CG2-CD1 4.11Å; L305-Y314 WeakPolarHBondContact CD2-OH 3.38Å; I312-Y314 VanDerWaalsContact C-N 3.25Å; I312-Y314 HydrophobicContact CB-CD2 3.98Å; I312-Y314 HydrophobicContact CB-CE2 3.44Å; I312-Y314 VanDerWaalsContact CB-CE2 3.44Å; I312-Y314 HydrophobicContact CG1-CE2 4.19Å; I312-Y314 HydrophobicContact CG2-CD1 4.25Å; I312-Y314 HydrophobicContact CG2-CD2 4Å; I312-Y314 HydrophobicContact CG2-CE1 3.75Å; I312-Y314 HydrophobicContact CG2-CE2 3.49Å; I312-Y314 VanDerWaalsContact CG2-CE2 3.49Å; I312-Y314 HydrophobicContact CG2-CG 4.34Å; I312-Y314 WeakPolarHBondContact CG2-OH 3.31Å; I312-Y314 PolarHBondContact O-N 3.46Å; Y314-N316 VanDerWaalsContact C-N 3.3Å; Y314-N316 PolarHBondContact O-N 2.78Å; Y314-T320 CarbonylContact O-C 3.57Å; Y314-T320 VanDerWaalsContact O-C 3.27Å; Y314-T320 VanDerWaalsContact O-CB 3.31Å; Y314-T320 WeakPolarHBondContact O-CB 3.43Å; Y314-T320 PolarHBondContact O-OG1 3.45Å; Y314-H321 WeakPolarHBondContact O-CA 3.31Å; Y314-H321 PolarHBondContact O-N 3.36Å; Y314-Q324 HydrophobicContact CD1-CB 3.82Å; Y314-Q324 HydrophobicContact CD1-CG 3.75Å; Y314-Q324 HydrophobicContact CD2-CG 3.68Å; Y314-Q324 HydrophobicContact CE1-CB 4.38Å; Y314-Q324 HydrophobicContact CE1-CG 4.08Å; Y314-Q324 HydrophobicContact CE2-CG 3.98Å; Y314-Q324 HydrophobicContact CG-CB 3.94Å; Y314-Q324 HydrophobicContact CG-CG 3.57Å; Y314-L327 HydrophobicContact CE1-CB 4.17Å; Y314-G328 WeakPolarHBondContact OH-CA 3.38Å
315R91.9Very high90.8Very high177 Ų17757.8 Ų57.867%0.66828%0.277SS*.G310 helixtrans-81.1-3.3-177.3-65.3-176173.1-176.3-3.2114.5T150 P313 S317T150-R315 PolarHBondContact OG1-NH2 3.44Å; T150-R315 VanDerWaalsContact OG1-NH2 3.13Å; P313-R315 PolarHBondContact O-N 2.85Å; R315-S317 PolarHBondContact O-N 3.05Å
316N92.9Very high90.4Very high94 Ų9456.8 Ų56.850%0.50327%0.272SS..G310 helixtrans-68.2-16.7-179.2-78.312.2000113.5A297 P313 Y314A297-N316 HydrophobicContact CB-CB 3.87Å; P313-N316 HydrophobicContact CB-CB 4.48Å; P313-N316 WeakPolarHBondContact O-CB 3.5Å; P313-N316 PolarHBondContact O-N 3.09Å; P313-N316 VanDerWaalsContact O-N 3.1Å; Y314-N316 VanDerWaalsContact C-N 3.3Å; Y314-N316 PolarHBondContact O-N 2.78Å
317S93.9Very high90.2Very high3 Ų355.9 Ų55.92%0.02127%0.266CS..SBendtrans-150157.9168.974.70000110.9N127 R315 L319 T320 H321N127-S317 WeakPolarHBondContact OD1-CA 3.15Å; R315-S317 PolarHBondContact O-N 3.05Å; S317-L319 PolarHBondContact O-N 2.97Å; S317-T320 PolarHBondContact N-OG1 3.06Å; S317-T320 PolarHBondContact O-N 3.06Å; S317-T320 PolarHBondContact O-OG1 3.47Å; S317-T320 WeakPolarHBondContact OG-CG2 3.38Å; S317-T320 PolarHBondContact OG-N 3.46Å; S317-T320 PolarHBondContact OG-OG1 2.67Å; S317-H321 WeakPolarHBondContact O-CB 3.46Å; S317-H321 PolarHBondContact O-N 3.21Å
318R91.8Very high89.3Confident72 Ų7252.4 Ų52.427%0.27226%0.26SS..Hα-helixtrans-65-31.1172.9-68.1-54.2-172.1169.25112.3V124 N127 I129 E147 V148 H321 L322V124-R318 HydrophobicContact CG1-CB 4.46Å; N127-R318 WeakPolarHBondContact O-CG 3.36Å; N127-R318 PolarHBondContact OD1-N 3.03Å; I129-R318 HydrophobicContact CD1-CB 3.78Å; I129-R318 HydrophobicContact CD1-CG 4.35Å; I129-R318 HydrophobicContact CG1-CB 4.18Å; E147-R318 IonicContact OE1-NH2 2.71Å; V148-R318 PolarHBondContact O-NH1 2.95Å; R318-H321 PolarHBondContact O-N 2.83Å; R318-L322 VanDerWaalsContact O-CB 3.3Å; R318-L322 WeakPolarHBondContact O-CB 3.31Å; R318-L322 PolarHBondContact O-N 3.48Å
319L93.3Very high88.4Confident0 Ų048 Ų480%025%0.25CC..Hα-helixtrans-59.8-55.3173.7175.966.2000111.3V124 H198 I200 L269 L298 S317 H321 L322 L323V124-L319 HydrophobicContact CG1-CB 4.42Å; H198-L319 HydrophobicContact CB-CD1 4.09Å; I200-L319 HydrophobicContact CD1-CD1 3.97Å; L269-L319 HydrophobicContact CD2-CD1 4Å; L269-L319 HydrophobicContact CD2-CD2 3.99Å; L298-L319 HydrophobicContact CD2-CD2 4.49Å; S317-L319 PolarHBondContact O-N 2.97Å; L319-H321 VanDerWaalsContact C-N 3.25Å; L319-H321 PolarHBondContact O-N 3.44Å; L319-L322 PolarHBondContact O-N 2.86Å; L319-L323 HydrophobicContact CD1-CD1 3.69Å; L319-L323 HydrophobicContact CD1-CG 4.26Å; L319-L323 HydrophobicContact CG-CD1 4.09Å; L319-L323 WeakPolarHBondContact O-CB 3.34Å; L319-L323 WeakPolarHBondContact O-CG 3.38Å; L319-L323 PolarHBondContact O-N 3.42Å
320T93.3Very high87.7Confident0 Ų044.4 Ų44.40%024%0.24CC..Hα-helixtrans-66.1-30.1-179.3470000112.8A297 L298 V301 Y314 S317 Q324A297-T320 HydrophobicContact CB-CG2 4.09Å; L298-T320 VanDerWaalsContact CA-CG2 3.42Å; L298-T320 HydrophobicContact CB-CG2 3.98Å; L298-T320 HydrophobicContact CD1-CG2 4.2Å; V301-T320 HydrophobicContact CB-CG2 4.47Å; V301-T320 HydrophobicContact CG2-CG2 3.91Å; Y314-T320 CarbonylContact O-C 3.57Å; Y314-T320 VanDerWaalsContact O-C 3.27Å; Y314-T320 VanDerWaalsContact O-CB 3.31Å; Y314-T320 WeakPolarHBondContact O-CB 3.43Å; Y314-T320 PolarHBondContact O-OG1 3.45Å; S317-T320 PolarHBondContact N-OG1 3.06Å; S317-T320 PolarHBondContact O-N 3.06Å; S317-T320 PolarHBondContact O-OG1 3.47Å; S317-T320 WeakPolarHBondContact OG-CG2 3.38Å; S317-T320 PolarHBondContact OG-N 3.46Å; S317-T320 PolarHBondContact OG-OG1 2.67Å; T320-Q324 PolarHBondContact O-N 2.93Å
321H90.9Very high87.3Confident10 Ų1038.1 Ų38.15%0.04620%0.197CC..Hα-helixtrans-68.5-49.3175.2-165.3-177000109.7V148 T150 T156 Y314 S317 R318 L319 L323 Q324V148-H321 HydrophobicContact CG1-CB 4.42Å; V148-H321 WeakPolarHBondContact CG1-CE1 3.2Å; V148-H321 VanDerWaalsContact CG1-ND1 3.31Å; V148-H321 WeakPolarHBondContact CG1-ND1 3.5Å; T150-H321 PolarHBondContact OG1-NE2 2.84Å; T156-H321 WeakPolarHBondContact CG2-O 3.43Å; T156-H321 PolarHBondContact OG1-CD2 2.8Å; T156-H321 VanDerWaalsContact OG1-CD2 3.27Å; T156-H321 PolarHBondContact OG1-O 2.94Å; Y314-H321 WeakPolarHBondContact O-CA 3.31Å; Y314-H321 PolarHBondContact O-N 3.36Å; S317-H321 WeakPolarHBondContact O-CB 3.46Å; S317-H321 PolarHBondContact O-N 3.21Å; R318-H321 PolarHBondContact O-N 2.83Å; L319-H321 VanDerWaalsContact C-N 3.25Å; L319-H321 PolarHBondContact O-N 3.44Å; H321-L323 VanDerWaalsContact C-N 3.27Å; H321-L323 PolarHBondContact O-N 2.82Å; H321-Q324 WeakPolarHBondContact O-CB 3.41Å; H321-Q324 PolarHBondContact O-N 3.01Å; H321-Q324 VanDerWaalsContact O-N 3.09Å
322L89.8Confident87.1Confident21 Ų2134.1 Ų34.111%0.1118%0.177CC..Hα-helixtrans-61.7-34.2178.2-17557.1000113.1V122 V124 I129 V158 I200 R318 L319V122-L322 HydrophobicContact CB-CD2 4.41Å; V122-L322 HydrophobicContact CG1-CD2 3.84Å; V124-L322 HydrophobicContact CG2-CD2 4.26Å; I129-L322 HydrophobicContact CD1-CD2 4.46Å; V158-L322 HydrophobicContact CG2-CD1 3.53Å; I200-L322 HydrophobicContact CD1-CD2 3.42Å; I200-L322 VanDerWaalsContact CD1-CD2 3.42Å; I200-L322 HydrophobicContact CD1-CG 4.14Å; R318-L322 VanDerWaalsContact O-CB 3.3Å; R318-L322 WeakPolarHBondContact O-CB 3.31Å; R318-L322 PolarHBondContact O-N 3.48Å; L319-L322 PolarHBondContact O-N 2.86Å
323L90Very high86.9Confident0 Ų034.6 Ų34.60%018%0.18CC..THydrogen-bonded Turntrans-90.12.8178.2-62.5179000113.6M61 I200 V267 L319 H321 D325 C326 L327M61-L323 HydrophobicContact CE-CD1 4.29Å; I200-L323 HydrophobicContact CD1-CD2 4.27Å; V267-L323 HydrophobicContact CG2-CD2 3.97Å; L319-L323 HydrophobicContact CD1-CD1 3.69Å; L319-L323 HydrophobicContact CD1-CG 4.26Å; L319-L323 HydrophobicContact CG-CD1 4.09Å; L319-L323 WeakPolarHBondContact O-CB 3.34Å; L319-L323 WeakPolarHBondContact O-CG 3.38Å; L319-L323 PolarHBondContact O-N 3.42Å; H321-L323 VanDerWaalsContact C-N 3.27Å; H321-L323 PolarHBondContact O-N 2.82Å; L323-D325 VanDerWaalsContact C-N 3.29Å; L323-D325 PolarHBondContact O-N 3.02Å; L323-C326 PolarHBondContact O-N 2.71Å; L323-L327 HydrophobicContact CB-CD1 3.63Å; L323-L327 HydrophobicContact CB-CG 3.92Å; L323-L327 WeakPolarHBondContact O-CB 2.99Å; L323-L327 WeakPolarHBondContact O-CG 3.49Å; L323-L327 PolarHBondContact O-N 2.98Å
324Q89Confident86.8Confident39 Ų3935.7 Ų35.718%0.18219%0.185CC..Hα-helixtrans-52.5-46.8-175.4173.6178.8-40.600112.2Y314 T320 H321 C326 L327 G328 G329Y314-Q324 HydrophobicContact CD1-CB 3.82Å; Y314-Q324 HydrophobicContact CD1-CG 3.75Å; Y314-Q324 HydrophobicContact CD2-CG 3.68Å; Y314-Q324 HydrophobicContact CE1-CB 4.38Å; Y314-Q324 HydrophobicContact CE1-CG 4.08Å; Y314-Q324 HydrophobicContact CE2-CG 3.98Å; Y314-Q324 HydrophobicContact CG-CB 3.94Å; Y314-Q324 HydrophobicContact CG-CG 3.57Å; T320-Q324 PolarHBondContact O-N 2.93Å; H321-Q324 WeakPolarHBondContact O-CB 3.41Å; H321-Q324 PolarHBondContact O-N 3.01Å; H321-Q324 VanDerWaalsContact O-N 3.09Å; Q324-C326 PolarHBondContact O-N 2.84Å; Q324-L327 PolarHBondContact O-N 2.92Å; Q324-G328 PolarHBondContact O-N 3.04Å; Q324-G329 PolarHBondContact O-N 3.27Å
325D82.1Confident86.9Confident35 Ų3535.9 Ų35.919%0.18719%0.189CC..Hα-helixtrans-62.2-27.1-178.8-69.14.6000112R263 L323 G329R263-D325 IonicContact NH1-OD2 2.69Å; L323-D325 VanDerWaalsContact C-N 3.29Å; L323-D325 PolarHBondContact O-N 3.02Å; D325-G329 CarbonylContact O-C 3.57Å; D325-G329 WeakPolarHBondContact O-CA 3.49Å; D325-G329 PolarHBondContact O-N 2.96Å
326C80.6Confident87Confident4 Ų428.6 Ų28.63%0.02716%0.163CC..Hα-helixtrans-95.5-29.7-178.7-73.20000113.9C59 Q265 L323 Q324 A331 R364C59-C326 HydrophobicContact CB-CB 3.63Å; Q265-C326 PolarHBondContact OE1-SG 2.66Å; L323-C326 PolarHBondContact O-N 2.71Å; Q324-C326 PolarHBondContact O-N 2.84Å; C326-A331 HydrophobicContact CB-CB 4.44Å; C326-R364 PolarHBondContact O-NH1 2.91Å; C326-R364 PolarHBondContact O-NH2 3.17Å
327L81.7Confident87.1Confident2 Ų226.5 Ų26.51%0.0115%0.152CC..Hα-helixtrans-82-47178.9-66.6171.1000111.4M61 L298 V301 L302 L305 Y314 L323 Q324 L333 R364M61-L327 HydrophobicContact CE-CD2 4.06Å; L298-L327 HydrophobicContact CD1-CD1 3.39Å; L298-L327 HydrophobicContact CD1-CD2 3.85Å; L298-L327 HydrophobicContact CD1-CG 4.27Å; V301-L327 HydrophobicContact CG1-CB 4.22Å; V301-L327 HydrophobicContact CG1-CD1 4.07Å; L302-L327 HydrophobicContact CD2-CD2 4.06Å; L305-L327 HydrophobicContact CD1-CB 4.45Å; L305-L327 VanDerWaalsContact CD1-O 3.28Å; L305-L327 WeakPolarHBondContact CD1-O 3.34Å; Y314-L327 HydrophobicContact CE1-CB 4.17Å; L323-L327 HydrophobicContact CB-CD1 3.63Å; L323-L327 HydrophobicContact CB-CG 3.92Å; L323-L327 WeakPolarHBondContact O-CB 2.99Å; L323-L327 WeakPolarHBondContact O-CG 3.49Å; L323-L327 PolarHBondContact O-N 2.98Å; Q324-L327 PolarHBondContact O-N 2.92Å; L327-L333 HydrophobicContact CD2-CD2 4.3Å; L327-R364 PolarHBondContact O-NH2 3.07Å
328G71.4Confident87.1Confident38 Ų3826.8 Ų26.839%0.39215%0.154SC..THydrogen-bonded Turntrans-111.4-17.2-175.500000116.2Y314 Q324Y314-G328 WeakPolarHBondContact OH-CA 3.38Å; Q324-G328 PolarHBondContact O-N 3.04Å
329G70.6Confident87.2Confident38 Ų3826.3 Ų26.339%0.39216%0.156SC..SBendtrans-89.2-165.5-178.900000112.8Q324 D325 A331Q324-G329 PolarHBondContact O-N 3.27Å; D325-G329 CarbonylContact O-C 3.57Å; D325-G329 WeakPolarHBondContact O-CA 3.49Å; D325-G329 PolarHBondContact O-N 2.96Å; G329-A331 PolarHBondContact O-N 3.45Å; G329-A331 VanDerWaalsContact O-N 3.15Å
330D75.2Confident87Confident53 Ų5327.2 Ų27.228%0.28316%0.162SC..SBendtrans-85.685.8-177.8-158.1-27.1000111.2N57 A367 R368N57-D330 WeakPolarHBondContact CB-O 3.31Å; N57-D330 PolarHBondContact ND2-O 2.81Å; D330-A367 VanDerWaalsContact OD1-C 3.26Å; D330-A367 WeakPolarHBondContact OD1-CA 3.44Å; D330-A367 WeakPolarHBondContact OD1-CB 3.45Å; D330-R368 PolarHBondContact OD1-N 3.4Å; D330-R368 WeakPolarHBondContact OD2-CA 3.37Å; D330-R368 WeakPolarHBondContact OD2-CB 3.29Å; D330-R368 VanDerWaalsContact OD2-CG 3.27Å; D330-R368 WeakPolarHBondContact OD2-CG 3.21Å; D330-R368 PolarHBondContact OD2-N 2.89Å
331A83.1Confident86.8Confident5 Ų533.6 Ų33.64%0.04120%0.203CC..EExtended strand (participates in β ladder)trans-145.6154.4-179.900000111.6N57 C326 G329 R364N57-A331 HydrophobicContact CB-CB 3.72Å; N57-A331 CarbonylContact O-C 3.57Å; N57-A331 VanDerWaalsContact O-CA 3.29Å; N57-A331 WeakPolarHBondContact O-CA 3.48Å; C326-A331 HydrophobicContact CB-CB 4.44Å; G329-A331 PolarHBondContact O-N 3.45Å; G329-A331 VanDerWaalsContact O-N 3.15Å; A331-R364 PolarHBondContact O-NH1 3.5Å
332K88.6Confident86.8Confident49 Ų4935.2 Ų35.221%0.21322%0.216CC..EExtended strand (participates in β ladder)trans-85.2122.1162.9-59.4-170.5179-1680108.4L48 S51 N57 V58 C59 A367L48-K332 HydrophobicContact CD2-CB 4.16Å; L48-K332 HydrophobicContact CD2-CD 4.12Å; S51-K332 PolarHBondContact OG-NZ 2.7Å; N57-K332 PolarHBondContact O-N 2.99Å; V58-K332 CarbonylContact C-O 3.56Å; V58-K332 WeakPolarHBondContact CA-O 3.49Å; V58-K332 HydrophobicContact CG2-CB 4.49Å; C59-K332 PolarHBondContact N-O 2.82Å; K332-A367 HydrophobicContact CG-CB 4.29Å
333L88.8Confident86.8Confident40 Ų4041.4 Ų41.421%0.20924%0.244CC..EExtended strand (participates in β ladder)trans-110.6126.6179.1172.565.7000110.2C59 M61 L327 V335C59-L333 HydrophobicContact CB-CD1 3.9Å; C59-L333 CarbonylContact O-C 3.6Å; C59-L333 WeakPolarHBondContact O-CA 3.46Å; M61-L333 HydrophobicContact CE-CD1 3.45Å; M61-L333 VanDerWaalsContact CE-CD1 3.45Å; M61-L333 HydrophobicContact CG-CD1 4.18Å; M61-L333 HydrophobicContact SD-CD1 4.06Å; L327-L333 HydrophobicContact CD2-CD2 4.3Å; L333-V335 HydrophobicContact CD1-CG2 4.08Å; L333-V335 HydrophobicContact CD2-CG2 3.96Å; L333-V335 HydrophobicContact CG-CG2 3.91Å
334L92.3Very high86.7Confident40 Ų4050.8 Ų50.821%0.20928%0.28CS..EExtended strand (participates in β ladder)trans-114.6123.6166.8176.462.6000108.9D44 V45 L48 C59 V60 M61 I336D44-L334 HydrophobicContact CB-CD2 4.42Å; V45-L334 HydrophobicContact CG2-CD2 3.91Å; L48-L334 HydrophobicContact CD1-CB 3.77Å; L48-L334 HydrophobicContact CD1-CD2 3.87Å; L48-L334 HydrophobicContact CD1-CG 4.46Å; C59-L334 PolarHBondContact O-N 3.36Å; V60-L334 WeakPolarHBondContact CA-O 3.27Å; V60-L334 HydrophobicContact CG1-CD2 4.13Å; V60-L334 HydrophobicContact CG1-CG 4.42Å; V60-L334 HydrophobicContact CG2-CB 4.35Å; V60-L334 HydrophobicContact CG2-CD2 4.45Å; M61-L334 PolarHBondContact N-O 2.95Å; L334-I336 HydrophobicContact CD2-CG1 4.47Å; L334-I336 HydrophobicContact CG-CG1 4.24Å
335V93Very high86.6Confident34 Ų3450.6 Ų50.621%0.20628%0.279CS..EExtended strand (participates in β ladder)trans-109.6122174.4-1760000108.6M61 L333 L337 F355 A359M61-V335 HydrophobicContact CG-CB 4.27Å; M61-V335 HydrophobicContact CG-CG1 4.19Å; M61-V335 HydrophobicContact CG-CG2 3.9Å; M61-V335 WeakPolarHBondContact O-CA 3.18Å; M61-V335 HydrophobicContact SD-CG2 4.02Å; L333-V335 HydrophobicContact CD1-CG2 4.08Å; L333-V335 HydrophobicContact CD2-CG2 3.96Å; L333-V335 HydrophobicContact CG-CG2 3.91Å; V335-L337 HydrophobicContact CG1-CD2 3.86Å; V335-L337 HydrophobicContact CG1-CG 4.49Å; V335-F355 HydrophobicContact CG1-CD1 4.49Å; V335-F355 HydrophobicContact CG1-CE1 3.93Å; V335-A359 HydrophobicContact CG2-CB 4.14Å
336I95.3Very high86.9Confident23 Ų2352.7 Ų52.712%0.11829%0.29CS..EExtended strand (participates in β ladder)trans-102.6112.6176.6-54.7173.7000108.6V41 V60 M61 A62 Y63 T73 I95 L334 C338V41-I336 HydrophobicContact CG1-CD1 4.39Å; V60-I336 HydrophobicContact CG1-CD1 3.98Å; M61-I336 PolarHBondContact O-N 2.6Å; A62-I336 WeakPolarHBondContact CA-O 3.45Å; Y63-I336 PolarHBondContact N-O 2.91Å; T73-I336 HydrophobicContact CG2-CD1 4.22Å; T73-I336 HydrophobicContact CG2-CG2 4.08Å; I95-I336 HydrophobicContact CD1-CD1 3.16Å; L334-I336 HydrophobicContact CD2-CG1 4.47Å; L334-I336 HydrophobicContact CG-CG1 4.24Å; I336-C338 PolarHBondContact O-N 2.94Å
337L95.3Very high87.3Confident50 Ų5055.2 Ų55.226%0.26231%0.311SS..EExtended strand (participates in β ladder)trans-88.3109.6-179.8-57.8174.3000109.9Y63 V335 I339 F355Y63-L337 HydrophobicContact CD1-CD2 4Å; Y63-L337 CarbonylContact O-C 3.55Å; Y63-L337 WeakPolarHBondContact O-CA 3.39Å; V335-L337 HydrophobicContact CG1-CD2 3.86Å; V335-L337 HydrophobicContact CG1-CG 4.49Å; L337-I339 HydrophobicContact CB-CD1 4.45Å; L337-I339 HydrophobicContact CB-CG1 4.47Å; L337-F355 HydrophobicContact CD2-CD1 4Å
338C93.9Very high87.6Confident10 Ų1056 Ų567%0.06831%0.314CS..  trans-88.2117.4174.2-610000109.1Y63 G64 S68 K70 I336Y63-C338 PolarHBondContact O-N 2.82Å; G64-C338 WeakPolarHBondContact CA-O 3.47Å; S68-C338 VanDerWaalsContact CB-O 3.24Å; S68-C338 WeakPolarHBondContact CB-O 3.28Å; S68-C338 WeakPolarHBondContact OG-CB 3.34Å; S68-C338 PolarHBondContact OG-O 3.4Å; K70-C338 HydrophobicContact CG-CB 3.92Å; I336-C338 PolarHBondContact O-N 2.94Å
339I92.6Very high88.5Confident62 Ų6255.2 Ų55.232%0.31830%0.302SS..  trans-126.1140.6-173-63.4-178.1000109.8L337 T349 L353L337-I339 HydrophobicContact CB-CD1 4.45Å; L337-I339 HydrophobicContact CB-CG1 4.47Å; I339-T349 HydrophobicContact CG2-CG2 3.38Å; I339-T349 WeakPolarHBondContact CG2-OG1 3.3Å; I339-L353 HydrophobicContact CD1-CD2 3.48Å; I339-L353 VanDerWaalsContact CD1-CD2 3.48Å; I339-L353 HydrophobicContact CD1-CG 3.77Å
340S89.9Confident89.5Confident19 Ų1958.6 Ų58.613%0.13331%0.31CS..  trans-87.4131.9173.1-175.10000110.7S342 H345 T349S340-S342 PolarHBondContact O-N 3.04Å; S340-S342 PolarHBondContact OG-N 3.32Å; S340-H345 WeakPolarHBondContact CB-ND1 3.45Å; S340-H345 PolarHBondContact OG-ND1 3.48Å; S340-T349 PolarHBondContact O-OG1 3.05Å
341P89.1Confident90.2Very high133 Ų13360.5 Ų60.586%0.86432%0.318SS*.  trans-75.3-2.2176.331.9-36.3000113.1
342S89.9Confident90.5Very high44 Ų4460.4 Ų60.431%0.30832%0.318SS..  trans-76.7133.4-175.2-1710000112.1S340 R344 H345S340-S342 PolarHBondContact O-N 3.04Å; S340-S342 PolarHBondContact OG-N 3.32Å; S342-R344 PolarHBondContact O-N 3.43Å; S342-R344 VanDerWaalsContact O-N 3.1Å; S342-R344 WeakPolarHBondContact OG-CG 3.5Å; S342-H345 WeakPolarHBondContact O-CB 3.37Å; S342-H345 PolarHBondContact O-N 3.2Å
343Q89.8Confident90.7Very high152 Ų15261.9 Ų61.971%0.7133%0.327SS*.G310 helixtrans-55.2-31.8177-16865.919.700113.2H345 L346Q343-H345 PolarHBondContact O-N 3.18Å; Q343-H345 VanDerWaalsContact O-N 3.11Å; Q343-L346 WeakPolarHBondContact O-CB 3.47Å; Q343-L346 PolarHBondContact O-N 3.24Å
344R87.6Confident90.7Very high196 Ų19661 Ų6174%0.7433%0.328SS*.G310 helixtrans-63.5-16.7178.581.3-164.6-173.4-171.7-3.1113.4S342S342-R344 PolarHBondContact O-N 3.43Å; S342-R344 VanDerWaalsContact O-N 3.1Å; S342-R344 WeakPolarHBondContact OG-CG 3.5Å
345H87Confident90.6Very high35 Ų3559.1 Ų59.116%0.16232%0.318CS..G310 helixtrans-109.915.3-176.7-65.9159000112.8Q65 S340 S342 Q343 A347 Q348 T349Q65-H345 PolarHBondContact NE2-CE1 3.27Å; Q65-H345 PolarHBondContact NE2-ND1 3.15Å; Q65-H345 PolarHBondContact NE2-NE2 3.49Å; Q65-H345 VanDerWaalsContact OE1-CB 3.23Å; S340-H345 WeakPolarHBondContact CB-ND1 3.45Å; S340-H345 PolarHBondContact OG-ND1 3.48Å; S342-H345 WeakPolarHBondContact O-CB 3.37Å; S342-H345 PolarHBondContact O-N 3.2Å; Q343-H345 PolarHBondContact O-N 3.18Å; Q343-H345 VanDerWaalsContact O-N 3.11Å; H345-A347 VanDerWaalsContact C-N 3.32Å; H345-A347 PolarHBondContact O-N 3.08Å; H345-Q348 PolarHBondContact O-N 3.37Å; H345-Q348 PolarHBondContact O-OE1 3.49Å; H345-T349 WeakPolarHBondContact O-CB 3.02Å; H345-T349 PolarHBondContact O-N 3.21Å; H345-T349 PolarHBondContact O-OG1 3.21Å
346L89.8Confident90.5Very high80 Ų8058.2 Ų58.242%0.41932%0.315SS..Hα-helixtrans-57.5-42.7-175.1179.362.6000112.6Q343 Q348 T349 L350Q343-L346 WeakPolarHBondContact O-CB 3.47Å; Q343-L346 PolarHBondContact O-N 3.24Å; L346-Q348 PolarHBondContact O-N 2.98Å; L346-T349 WeakPolarHBondContact O-CB 3.49Å; L346-T349 PolarHBondContact O-N 3.29Å; L346-L350 HydrophobicContact CD1-CD1 4.41Å; L346-L350 HydrophobicContact CD1-CG 4.31Å; L346-L350 HydrophobicContact CG-CD1 4.26Å; L346-L350 WeakPolarHBondContact O-CG 3.34Å; L346-L350 PolarHBondContact O-N 3.23Å
347A88.7Confident90.1Very high57 Ų5761.8 Ų61.847%0.47133%0.334SS..Hα-helixtrans-62.1-46.1-179.900000111.9H345 T349 L350 Q351H345-A347 VanDerWaalsContact C-N 3.32Å; H345-A347 PolarHBondContact O-N 3.08Å; A347-T349 VanDerWaalsContact C-N 3.32Å; A347-T349 PolarHBondContact O-N 3.1Å; A347-L350 PolarHBondContact O-N 3.13Å; A347-Q351 WeakPolarHBondContact O-CG 3.49Å; A347-Q351 PolarHBondContact O-N 2.92Å
348Q87.8Confident89.6Confident18 Ų1863.6 Ų63.68%0.08434%0.337CS..Hα-helixtrans-66.8-36.2178.2-65.376.716.400111.5Q65 H345 L346 Q351 G352Q65-Q348 HydrophobicContact CB-CB 4.12Å; Q65-Q348 HydrophobicContact CB-CG 4.39Å; Q65-Q348 VanDerWaalsContact OE1-CB 3.28Å; H345-Q348 PolarHBondContact O-N 3.37Å; H345-Q348 PolarHBondContact O-OE1 3.49Å; L346-Q348 PolarHBondContact O-N 2.98Å; Q348-Q351 PolarHBondContact O-N 3.03Å; Q348-G352 PolarHBondContact O-N 3.04Å
349T90.8Very high89.3Confident22 Ų2263.9 Ų63.914%0.13534%0.34CS..Hα-helixtrans-60.1-49.5173.6-64.40000111.2I339 S340 H345 L346 A347 Q351 G352 L353I339-T349 HydrophobicContact CG2-CG2 3.38Å; I339-T349 WeakPolarHBondContact CG2-OG1 3.3Å; S340-T349 PolarHBondContact O-OG1 3.05Å; H345-T349 WeakPolarHBondContact O-CB 3.02Å; H345-T349 PolarHBondContact O-N 3.21Å; H345-T349 PolarHBondContact O-OG1 3.21Å; L346-T349 WeakPolarHBondContact O-CB 3.49Å; L346-T349 PolarHBondContact O-N 3.29Å; A347-T349 VanDerWaalsContact C-N 3.32Å; A347-T349 PolarHBondContact O-N 3.1Å; T349-Q351 VanDerWaalsContact C-N 3.32Å; T349-Q351 PolarHBondContact O-N 3.48Å; T349-G352 PolarHBondContact O-N 3.34Å; T349-L353 HydrophobicContact CG2-CD1 4.15Å; T349-L353 WeakPolarHBondContact O-CG 3.46Å; T349-L353 PolarHBondContact O-N 3.45Å
350L91.3Very high88.9Confident108 Ų10870.6 Ų70.657%0.56536%0.361SS*.Hα-helixtrans-62.1-39.5177.1-69172.9000112L346 A347 L353 G354L346-L350 HydrophobicContact CD1-CD1 4.41Å; L346-L350 HydrophobicContact CD1-CG 4.31Å; L346-L350 HydrophobicContact CG-CD1 4.26Å; L346-L350 WeakPolarHBondContact O-CG 3.34Å; L346-L350 PolarHBondContact O-N 3.23Å; A347-L350 PolarHBondContact O-N 3.13Å; L350-L353 PolarHBondContact O-N 3.26Å; L350-G354 PolarHBondContact O-N 3.45Å
351Q89Confident88.5Confident93 Ų9374.7 Ų74.744%0.43538%0.378SS..Hα-helixtrans-63-42.8174.1-72.6177.5-47.400112.2A347 Q348 T349 G354 F355A347-Q351 WeakPolarHBondContact O-CG 3.49Å; A347-Q351 PolarHBondContact O-N 2.92Å; Q348-Q351 PolarHBondContact O-N 3.03Å; T349-Q351 VanDerWaalsContact C-N 3.32Å; T349-Q351 PolarHBondContact O-N 3.48Å; Q351-G354 PolarHBondContact O-N 2.96Å; Q351-F355 PolarHBondContact O-N 3.3Å
352G90.6Very high88.1Confident4 Ų469 Ų694%0.04134%0.341CS..Hα-helixtrans-62.3-44.5175.900000113Q348 T349 F355 G356Q348-G352 PolarHBondContact O-N 3.04Å; T349-G352 PolarHBondContact O-N 3.34Å; G352-F355 WeakPolarHBondContact O-CB 3.46Å; G352-F355 PolarHBondContact O-N 3.14Å; G352-G356 PolarHBondContact O-N 3.13Å
353L91.6Very high86.9Confident80 Ų8074.3 Ų74.342%0.41936%0.361SS..Hα-helixtrans-64-41.4174.6-67.9172.4000111.9I339 T349 L350 F355 G356 I357I339-L353 HydrophobicContact CD1-CD2 3.48Å; I339-L353 VanDerWaalsContact CD1-CD2 3.48Å; I339-L353 HydrophobicContact CD1-CG 3.77Å; T349-L353 HydrophobicContact CG2-CD1 4.15Å; T349-L353 WeakPolarHBondContact O-CG 3.46Å; T349-L353 PolarHBondContact O-N 3.45Å; L350-L353 PolarHBondContact O-N 3.26Å; L353-F355 VanDerWaalsContact C-N 3.3Å; L353-F355 PolarHBondContact O-N 2.98Å; L353-G356 WeakPolarHBondContact O-CA 3.49Å; L353-G356 PolarHBondContact O-N 2.88Å; L353-G356 VanDerWaalsContact O-N 3.09Å; L353-I357 WeakPolarHBondContact O-CG1 3.27Å; L353-I357 PolarHBondContact O-N 3.35Å
354G90.3Very high85.8Confident22 Ų2271.1 Ų71.123%0.22734%0.342CS..Hα-helixtrans-61.9-36.6174.900000113.1L350 Q351 R358L350-G354 PolarHBondContact O-N 3.45Å; Q351-G354 PolarHBondContact O-N 2.96Å; G354-R358 PolarHBondContact O-N 2.88Å
355F90.3Very high84.4Confident0 Ų064.6 Ų64.60%034%0.337CS..Hα-helixtrans-62.3-45.8170.1-179.3-85.7000111.4Y63 L298 A299 L302 V335 L337 Q351 G352 L353 I357 R358 A359Y63-F355 HydrophobicContact CD1-CB 4.35Å; Y63-F355 AromaticContact CD1-CD1 3.81Å; Y63-F355 HydrophobicContact CD1-CD1 3.81Å; Y63-F355 HydrophobicContact CD1-CE1 4.27Å; Y63-F355 HydrophobicContact CD1-CG 4.05Å; Y63-F355 HydrophobicContact CD2-CD1 4.26Å; Y63-F355 HydrophobicContact CD2-CD2 4.41Å; Y63-F355 HydrophobicContact CD2-CE1 4.02Å; Y63-F355 HydrophobicContact CD2-CE2 4.16Å; Y63-F355 HydrophobicContact CD2-CG 4.46Å; Y63-F355 AromaticContact CD2-CZ 3.96Å; Y63-F355 HydrophobicContact CD2-CZ 3.96Å; Y63-F355 HydrophobicContact CE1-CB 3.86Å; Y63-F355 HydrophobicContact CE1-CD1 4.08Å; Y63-F355 HydrophobicContact CE1-CD2 4.28Å; Y63-F355 AromaticContact CE1-CG 3.82Å; Y63-F355 HydrophobicContact CE1-CG 3.82Å; Y63-F355 HydrophobicContact CE2-CD1 4.48Å; Y63-F355 AromaticContact CE2-CD2 3.93Å; Y63-F355 HydrophobicContact CE2-CD2 3.93Å; Y63-F355 HydrophobicContact CE2-CE1 4.48Å; Y63-F355 AromaticContact CE2-CE2 3.93Å; Y63-F355 HydrophobicContact CE2-CE2 3.93Å; Y63-F355 HydrophobicContact CE2-CG 4.22Å; Y63-F355 HydrophobicContact CE2-CZ 4.22Å; Y63-F355 AromaticContact CG-CD1 3.92Å; Y63-F355 HydrophobicContact CG-CD1 3.92Å; Y63-F355 AromaticContact CG-CE1 3.9Å; Y63-F355 HydrophobicContact CG-CE1 3.9Å; Y63-F355 HydrophobicContact CG-CG 4.38Å; Y63-F355 HydrophobicContact CG-CZ 4.32Å; Y63-F355 AromaticContact CZ-CD2 3.88Å; Y63-F355 AromaticContact CZ-CG 3.9Å; L298-F355 HydrophobicContact CD2-CE2 4.05Å; L298-F355 HydrophobicContact CD2-CZ 3.81Å; L298-F355 HydrophobicContact CG-CE2 3.98Å; L298-F355 HydrophobicContact CG-CZ 4.01Å; A299-F355 HydrophobicContact CB-CD2 4.07Å; A299-F355 HydrophobicContact CB-CE2 4.31Å; L302-F355 HydrophobicContact CD1-CD2 4.34Å; L302-F355 HydrophobicContact CD1-CE1 3.91Å; L302-F355 HydrophobicContact CD1-CE2 3.58Å; L302-F355 HydrophobicContact CD1-CZ 3.33Å; V335-F355 HydrophobicContact CG1-CD1 4.49Å; V335-F355 HydrophobicContact CG1-CE1 3.93Å; L337-F355 HydrophobicContact CD2-CD1 4Å; Q351-F355 PolarHBondContact O-N 3.3Å; G352-F355 WeakPolarHBondContact O-CB 3.46Å; G352-F355 PolarHBondContact O-N 3.14Å; L353-F355 VanDerWaalsContact C-N 3.3Å; L353-F355 PolarHBondContact O-N 2.98Å; F355-I357 PolarHBondContact O-N 3.46Å; F355-R358 PolarHBondContact O-N 2.94Å; F355-A359 PolarHBondContact O-N 3.13Å
356G89.6Confident82.8Confident14 Ų1468.7 Ų68.714%0.14437%0.366CS..Hα-helixtrans-55.6-45.3175.300000114.2G352 L353 R358 A359 R360G352-G356 PolarHBondContact O-N 3.13Å; L353-G356 WeakPolarHBondContact O-CA 3.49Å; L353-G356 PolarHBondContact O-N 2.88Å; L353-G356 VanDerWaalsContact O-N 3.09Å; G356-R358 VanDerWaalsContact C-N 3.35Å; G356-R358 PolarHBondContact O-N 3.3Å; G356-A359 PolarHBondContact O-N 2.82Å; G356-R360 WeakPolarHBondContact O-CB 3.48Å; G356-R360 PolarHBondContact O-N 2.88Å
357I86.9Confident81.2Confident98 Ų9866 Ų6650%0.50336%0.356SS..Hα-helixtrans-59.2-46.6177.2-69167.2000110.6L353 F355 R360 Q361L353-I357 WeakPolarHBondContact O-CG1 3.27Å; L353-I357 PolarHBondContact O-N 3.35Å; F355-I357 PolarHBondContact O-N 3.46Å; I357-R360 PolarHBondContact O-N 2.6Å; I357-Q361 VanDerWaalsContact O-CG 3.31Å; I357-Q361 WeakPolarHBondContact O-CG 3.43Å; I357-Q361 PolarHBondContact O-N 2.91Å; I357-Q361 VanDerWaalsContact O-N 3.12Å
358R85.4Confident79.9Confident89 Ų8972.5 Ų72.534%0.33637%0.368SS..Hα-helixtrans-62.7-45.8176.6-72.1-171.3-66.4-88.9-1.1111.9L302 G354 F355 G356 R360 Q361 V362L302-R358 HydrophobicContact CB-CB 4.48Å; G354-R358 PolarHBondContact O-N 2.88Å; F355-R358 PolarHBondContact O-N 2.94Å; G356-R358 VanDerWaalsContact C-N 3.35Å; G356-R358 PolarHBondContact O-N 3.3Å; R358-R360 VanDerWaalsContact C-N 3.29Å; R358-R360 PolarHBondContact O-N 3.35Å; R358-Q361 PolarHBondContact O-N 3.42Å; R358-V362 PolarHBondContact O-N 2.92Å
359A86.9Confident78.6Confident15 Ų1576.9 Ų76.912%0.12439%0.387CS..Hα-helixtrans-58.3-42178.200000111.9L302 V335 F355 G356 Q361 V362L302-A359 HydrophobicContact CD1-CB 4.01Å; V335-A359 HydrophobicContact CG2-CB 4.14Å; F355-A359 PolarHBondContact O-N 3.13Å; G356-A359 PolarHBondContact O-N 2.82Å; A359-Q361 VanDerWaalsContact C-N 3.34Å; A359-Q361 PolarHBondContact O-N 3.09Å; A359-V362 PolarHBondContact O-N 3.12Å
360R84.6Confident77.2Confident204 Ų20478 Ų7877%0.7739%0.389SS*.Hα-helixtrans-65.7-34.7177.7-176.5179.7177.9-140.5-3.1113.1G356 I357 R358 V362G356-R360 WeakPolarHBondContact O-CB 3.48Å; G356-R360 PolarHBondContact O-N 2.88Å; I357-R360 PolarHBondContact O-N 2.6Å; R358-R360 VanDerWaalsContact C-N 3.29Å; R358-R360 PolarHBondContact O-N 3.35Å; R360-V362 PolarHBondContact O-N 3.32Å
361Q82Confident75.6Confident104 Ų10477.8 Ų77.849%0.48639%0.394SS..Hα-helixtrans-75.9-9.3-178.8-73.3174-700113.6I357 R358 A359 Q363I357-Q361 VanDerWaalsContact O-CG 3.31Å; I357-Q361 WeakPolarHBondContact O-CG 3.43Å; I357-Q361 PolarHBondContact O-N 2.91Å; I357-Q361 VanDerWaalsContact O-N 3.12Å; R358-Q361 PolarHBondContact O-N 3.42Å; A359-Q361 VanDerWaalsContact C-N 3.34Å; A359-Q361 PolarHBondContact O-N 3.09Å; Q361-Q363 VanDerWaalsContact C-N 3.26Å; Q361-Q363 PolarHBondContact O-N 3.37Å
362V80.4Confident73.9Confident15 Ų1575.5 Ų75.59%0.09139%0.387CS..  trans-68.690.1171.3179.30000108.2L302 L305 R358 A359 R360 R364L302-V362 HydrophobicContact CB-CG2 4.4Å; L302-V362 HydrophobicContact CD2-CG2 3.94Å; L302-V362 WeakPolarHBondContact O-CG2 3.28Å; L305-V362 HydrophobicContact CB-CG1 3.99Å; L305-V362 HydrophobicContact CB-CG2 3.84Å; L305-V362 HydrophobicContact CD1-CG1 4.31Å; R358-V362 PolarHBondContact O-N 2.92Å; A359-V362 PolarHBondContact O-N 3.12Å; R360-V362 PolarHBondContact O-N 3.32Å; V362-R364 HydrophobicContact CG1-CG 4.34Å; V362-R364 PolarHBondContact O-N 2.96Å
363Q65.4Low72Confident155 Ų15578 Ų7872%0.72440%0.403SS*.  trans-64.9121.6173.8-67.7-175.45.300108.9Q361Q361-Q363 VanDerWaalsContact C-N 3.26Å; Q361-Q363 PolarHBondContact O-N 3.37Å
364R66Low69.5Low84 Ų8478.5 Ų78.532%0.31741%0.414SS..  trans-105.4133.1174.9-62.7-177.7178.8-141.2-11.2107.7C326 L327 A331 V362C326-R364 PolarHBondContact O-NH1 2.91Å; C326-R364 PolarHBondContact O-NH2 3.17Å; L327-R364 PolarHBondContact O-NH2 3.07Å; A331-R364 PolarHBondContact O-NH1 3.5Å; V362-R364 HydrophobicContact CG1-CG 4.34Å; V362-R364 PolarHBondContact O-N 2.96Å
365G57.1Low67Low60 Ų6083.9 Ų83.962%0.61943%0.433SS*.PPolyproline II helixtrans-60.2169.4160.600000110.2A367G365-A367 PolarHBondContact O-N 2.77Å
366P53.7Low64.3Low120 Ų12092.7 Ų92.778%0.77948%0.477SS*.PPolyproline II helixtrans-53.6128.8173.821.7-30.9000109R368P366-R368 PolarHBondContact O-N 3.33Å
367A57.9Low61.5Low25 Ų25100.5 Ų100.521%0.20751%0.509CS..PPolyproline II helixtrans-56.5135.4174.300000108.3Y56 D330 K332 G365Y56-A367 HydrophobicContact CD1-CB 3.64Å; Y56-A367 HydrophobicContact CE1-CB 4.05Å; Y56-A367 WeakPolarHBondContact CE1-O 3.18Å; Y56-A367 HydrophobicContact CG-CB 4.44Å; D330-A367 VanDerWaalsContact OD1-C 3.26Å; D330-A367 WeakPolarHBondContact OD1-CA 3.44Å; D330-A367 WeakPolarHBondContact OD1-CB 3.45Å; K332-A367 HydrophobicContact CG-CB 4.29Å; G365-A367 PolarHBondContact O-N 2.77Å
368R59.8Low59.1Low192 Ų19299.3 Ų99.373%0.72552%0.521SS*.  trans-106.3145.9175.2-46.2174.5153.2-164.7-7.2109.7D330 P366D330-R368 PolarHBondContact OD1-N 3.4Å; D330-R368 WeakPolarHBondContact OD2-CA 3.37Å; D330-R368 WeakPolarHBondContact OD2-CB 3.29Å; D330-R368 VanDerWaalsContact OD2-CG 3.27Å; D330-R368 WeakPolarHBondContact OD2-CG 3.21Å; D330-R368 PolarHBondContact OD2-N 2.89Å; P366-R368 PolarHBondContact O-N 3.33Å
369K60.9Low56.4Low110 Ų110104.7 Ų104.748%0.47855%0.547SS..PPolyproline II helixtrans-68.2143.1172.8-60.7-174.9-178-1610109.2D54 Y56D54-K369 VanDerWaalsContact O-CD 3.26Å; D54-K369 WeakPolarHBondContact O-CD 3.22Å; D54-K369 WeakPolarHBondContact O-CE 3.1Å; D54-K369 PolarHBondContact O-NZ 3.48Å; Y56-K369 HydrophobicContact CD1-CG 4.37Å; Y56-K369 HydrophobicContact CE1-CG 3.8Å
370R60.8Low54.1Low46 Ų46115.2 Ų115.217%0.17458%0.584CS.*PPolyproline II helixtrans-67.2130.9177.3-147176.6-173.5-178.95.6109.5Q261Q261-R370 VanDerWaalsContact O-CD 3.28Å; Q261-R370 WeakPolarHBondContact O-CD 3.47Å
371P57.5Low51.6Low103 Ų103116.2 Ų116.267%0.66959%0.588SS**PPolyproline II helixtrans-62.7149.7171.327.1-33.4000109.4S373P371-S373 PolarHBondContact O-N 3.03Å
372P53.3Low49.7Very low46 Ų46117.1 Ų117.130%0.29960%0.602SS.*PPolyproline II helixtrans-61.1135.5179.720.6-28.4000111.2A209 E258 Q259 V260A209-P372 HydrophobicContact CB-CB 4.39Å; E258-P372 HydrophobicContact CB-CB 3.48Å; E258-P372 VanDerWaalsContact CB-CB 3.48Å; E258-P372 HydrophobicContact CB-CG 3.96Å; E258-P372 VanDerWaalsContact CD-CG 3.41Å; E258-P372 HydrophobicContact CG-CB 3.75Å; E258-P372 HydrophobicContact CG-CG 3.91Å; E258-P372 WeakPolarHBondContact OE2-CG 3.27Å; Q259-P372 CarbonylContact O-C 3.57Å; Q259-P372 WeakPolarHBondContact O-CA 3.46Å; V260-P372 HydrophobicContact CG2-CB 4.29Å
373S52.3Low47.9Very low55 Ų55127.5 Ų127.539%0.38566%0.657SS.*BIsolated β-bridgetrans-92.3122.8175.956.20000110.2Q259 P371 Q375Q259-S373 PolarHBondContact O-N 2.72Å; P371-S373 PolarHBondContact O-N 3.03Å; S373-Q375 PolarHBondContact O-N 2.76Å
374S39.1Very low47.1Very low92 Ų92126.2 Ų126.264%0.64365%0.654SS**PPolyproline II helixtrans-72.3117.6166.658.70000109.3M376S374-M376 PolarHBondContact O-N 3.48Å
375Q36.5Very low46.1Very low135 Ų135128.4 Ų128.463%0.63167%0.672SS**PPolyproline II helixtrans-65.3116.9169.6-69.5-166.99.700108.8S373 E377S373-Q375 PolarHBondContact O-N 2.76Å; Q375-E377 PolarHBondContact O-N 2.93Å
376M34.1Very low45.5Very low185 Ų185132.2 Ų132.291%0.91168%0.675SS**  trans-80107.3165-85.4-171.5171.400108S374 G378S374-M376 PolarHBondContact O-N 3.48Å; M376-G378 PolarHBondContact O-N 3.11Å
377E32Very low45Very low177 Ų177132.9 Ų132.983%0.82767%0.669SS**  trans-57.4129.8165.4-88.4-178.6133.900109.6Q375 K379Q375-E377 PolarHBondContact O-N 2.93Å; E377-K379 PolarHBondContact O-N 3.5Å
378G34.8Very low44.2Very low73 Ų73139.6 Ų139.675%0.75370%0.697SS**  trans-56.1105.9171.200000109.4M376 R380M376-G378 PolarHBondContact O-N 3.11Å; G378-R380 PolarHBondContact O-N 3.48Å
379K30.4Very low43.1Very low203 Ų203136.1 Ų136.188%0.88370%0.696SS**  trans-58.797.5173.6-156.4167.3-170.61730107.7E377 R381E377-K379 PolarHBondContact O-N 3.5Å; K379-R381 PolarHBondContact O-N 3.41Å; K379-R381 VanDerWaalsContact O-N 3.1Å
380R37.4Very low41.9Very low236 Ų236138 Ų13889%0.89171%0.711SS**PPolyproline II helixtrans-55.3118.6165.6-75.7-172.9-171.9-172.33.2106G378G378-R380 PolarHBondContact O-N 3.48Å
381R31.4Very low40.4Very low225 Ų225145.1 Ų145.185%0.84975%0.753SS**PPolyproline II helixtrans-63.4129.1169.2-70.5-175.8178.3-154.40106.9K379K379-R381 PolarHBondContact O-N 3.41Å; K379-R381 VanDerWaalsContact O-N 3.1Å
382P43.7Very low39Very low122 Ų122148.6 Ų148.679%0.79276%0.76SS**PPolyproline II helixtrans-73125.3165.329.9-27.7000107.2
383D42.8Very low37.7Very low234 Ų234157.9 Ų157.9100%1.25180%0.801SS**  trans-94.50154.2-75.1-20.1000108

Retrieved 383 of 383 residues in 88.1 ms (Link to these results)