A0A087XT99_POEFO Loading...

Nuclear envelope integral membrane protein 1

AlphaFold DB , UniProt , Accession A0A087XT99, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 434 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
1M36.8Very low32Very low246 Ų246149.5 Ų149.5100%1.21284%0.844SS**  0140.70-70.8175.4-167.800108
2A36.8Very low32.2Very low109 Ų109148.3 Ų148.390%0.90183%0.832SS**  trans-22.1147.1179.500000117.3
3G33.5Very low31.9Very low79 Ų79145.6 Ų145.681%0.81483%0.829SS**  cis-178.6166.414.400000111.8
4C32.2Very low31.8Very low118 Ų118142.1 Ų142.180%0.79783%0.827SS**  trans-71.8151.4-171.1-165.60000114.4
5M28.8Very low32.4Very low181 Ų181140.9 Ų140.989%0.89283%0.829SS**  -175.4123.3120.2-106.7168.369.100116.1
6K32.3Very low32.4Very low176 Ų176138.5 Ų138.577%0.76582%0.822SS**  trans-0.5128.8153.8-84.6170.3164.2173.40119.8
7I33.3Very low32.4Very low143 Ų143142.7 Ų142.773%0.73383%0.827SS**  6111977.8-53.4171.1000113.2
8I33Very low32.8Very low150 Ų150144.5 Ų144.577%0.76983%0.832SS**  177.2125.5114.6-82165.7000111.4
9N29.4Very low33Very low159 Ų159146 Ų14685%0.8583%0.833SS**  trans11141.8150.5-65.8-10.1000121.5
10G27.5Very low33.2Very low69 Ų69145.2 Ų145.271%0.71183%0.831SS**  155.4108.3122.100000116.8
11Y28.2Very low33.1Very low215 Ų215147.5 Ų147.584%0.84383%0.832SS**  trans98118.6131.6-108.1-130.2000120.6
12I34Very low33.1Very low135 Ų135141.7 Ų141.769%0.69281%0.811SS**  trans81.497.2143.4-61.7174.8000115.3
13S28.4Very low33.1Very low113 Ų113143.2 Ų143.279%0.7981%0.808SS**  99.4115.577.8-176.50000110.6
14A30.9Very low33.1Very low97 Ų97147 Ų14780%0.80281%0.809SS**  trans142.755.6144.700000111.7
15S40.6Very low33.1Very low123 Ų123150.8 Ų150.886%0.8681%0.812SS**  trans-13270.9161.1174.60000108.3
16S31.9Very low33.5Very low103 Ų103150.4 Ų150.472%0.7281%0.81SS**  trans-163.685172.448.40000109.3
17K32.4Very low33.4Very low210 Ų210147.8 Ų147.891%0.91381%0.813SS**  trans179.665.4153.3-99.1166.6-166.4-166.50109.9
18L39.5Very low33Very low175 Ų175148.8 Ų148.892%0.91682%0.819SS**SBendtrans-134.718.1169.2-139.5108.2000114.5
19M37.6Very low32.7Very low173 Ų173149.1 Ų149.185%0.85282%0.817SS**SBendtrans-15459.1-177.8-139.9-173.7-17300113.7
20V35.9Very low33Very low129 Ų129150.1 Ų150.178%0.78282%0.816SS**SBendtrans-138.7-0.4170.2-174.70000114.7
21F32.6Very low32.9Very low194 Ų194151.5 Ų151.585%0.85181%0.811SS**SBendtrans-120.642.5-175.5-92.6-77.6000115.7
22T36.1Very low32.9Very low125 Ų125146.4 Ų146.477%0.76781%0.807SS**SBendtrans-125.86.317542.50000115.8
23V36.5Very low32.5Very low140 Ų140147.1 Ų147.185%0.84881%0.807SS**SBendtrans-13119.9-176.6-169.60000114.3
24L34.1Very low32.6Very low159 Ų159149.9 Ų149.983%0.83281%0.808SS**SBendtrans-132.544.6177.6-128.7147000113.1
25F32.6Very low32.3Very low198 Ų198155.4 Ų155.487%0.86881%0.809SS**SBendtrans-138.229.9170.1-108.7-75.5000113.8
26M35.7Very low31.9Very low173 Ų173155.9 Ų155.985%0.85281%0.807SS**SBendtrans-132.7120.1164.6-67.4-63.6-87.400108.7
27C30.4Very low31.7Very low121 Ų121153.1 Ų153.182%0.81880%0.795SS**SBendtrans86.386.3176.8-56.30000116.8
28L25.6Very low31.7Very low164 Ų164147.6 Ų147.686%0.85980%0.798SS**  150.4104.4117.3-81.2156.2000109.7
29H27.3Very low31.6Very low156 Ų156144 Ų14472%0.72278%0.783SS**  158.7118.897.9-156.656.5000109T31H29-T31 PolarHBondContact O-N 2.9Å; H29-T31 VanDerWaalsContact O-N 3.14Å
30Q35.1Very low32.3Very low180 Ų180142.2 Ų142.284%0.84177%0.767SS**  trans-58.6108.6166.7-172.3167.6-0.900108.3
31T24.8Very low33.6Very low98 Ų98141.2 Ų141.260%0.60176%0.763SS**  trans-109.495.1162.347.60000107.8H29 H33H29-T31 PolarHBondContact O-N 2.9Å; H29-T31 VanDerWaalsContact O-N 3.14Å; T31-H33 VanDerWaalsContact C-N 3.29Å; T31-H33 PolarHBondContact O-N 3.16Å
32S29.7Very low35.1Very low108 Ų108135.7 Ų135.776%0.75574%0.741SS**  trans-66.994.2158.359.20000107.5Q34S32-Q34 PolarHBondContact O-N 3.33Å
33H24.6Very low37Very low150 Ų150131.4 Ų131.469%0.69472%0.715SS**  trans-90.292.1162.4-92-73.6000108.7T31 Y35T31-H33 VanDerWaalsContact C-N 3.29Å; T31-H33 PolarHBondContact O-N 3.16Å; H33-Y35 PolarHBondContact O-N 3.45Å; H33-Y35 VanDerWaalsContact O-N 3.16Å
34Q31Very low38.9Very low172 Ų172128.1 Ų128.180%0.80469%0.693SS**  trans-59108.3149.7-91.6178.8-28.900107.5S32 T36S32-Q34 PolarHBondContact O-N 3.33Å; Q34-T36 PolarHBondContact O-N 3.31Å
35Y24.8Very low40.9Very low213 Ų213120.9 Ų120.984%0.83566%0.655SS**  trans-84.199.7157.1-111.8-86.7000108H33H33-Y35 PolarHBondContact O-N 3.45Å; H33-Y35 VanDerWaalsContact O-N 3.16Å
36T32.1Very low42.8Very low133 Ų133117.3 Ų117.382%0.81664%0.64SS**  trans-85.2103.3159.638.90000107.8Q34Q34-T36 PolarHBondContact O-N 3.31Å
37G26.9Very low44.5Very low45 Ų45112.3 Ų112.346%0.46462%0.617SS.*SBendtrans-153.4110.5166.200000106.3T39G37-T39 PolarHBondContact O-N 3.21Å; G37-T39 PolarHBondContact O-OG1 3.45Å
38G32.8Very low46.2Very low94 Ų94109 Ų10997%0.96960%0.603SS**  trans-4495.3-167.100000113.4
39T37.8Very low48.6Very low99 Ų99105.5 Ų105.561%0.60758%0.583SS**PPolyproline II helixtrans-98.4121.1176.731.10000107G37G37-T39 PolarHBondContact O-N 3.21Å; G37-T39 PolarHBondContact O-OG1 3.45Å
40R51.6Low50.8Low136 Ų136103.9 Ų103.951%0.51358%0.575SS.*PPolyproline II helixtrans-53.3141.5170.8-63.6178.2-178.5-163.2-5108.7I42 P56R40-I42 PolarHBondContact O-N 2.94Å; R40-P56 WeakPolarHBondContact CD-O 3.33Å; R40-P56 VanDerWaalsContact NH1-CD 3.26Å; R40-P56 VanDerWaalsContact NH1-CG 3.32Å; R40-P56 PolarHBondContact NH1-O 2.87Å
41P62.7Low52.8Low107 Ų10796.9 Ų96.970%0.69554%0.542SS*.PPolyproline II helixtrans-57.2134.8-177.423.3-32.9000110.7V43P41-V43 PolarHBondContact O-N 3.03Å
42I65.1Low55.3Low79 Ų7997.4 Ų97.441%0.40554%0.54SS..PPolyproline II helixtrans-72.1124.2173.5-62.8171.3000107.5R40 R58 C60R40-I42 PolarHBondContact O-N 2.94Å; I42-R58 HydrophobicContact CG1-CB 4.49Å; I42-C60 HydrophobicContact CG2-CB 3.91Å; I42-C60 WeakPolarHBondContact CG2-SG 3.26Å
43V75.1Confident57.5Low35 Ų3594.4 Ų94.421%0.21252%0.515CS..EExtended strand (participates in β ladder)trans-90.9116.6177.8-178.30000108.8P41 R58 F59 C60P41-V43 PolarHBondContact O-N 3.03Å; V43-R58 PolarHBondContact N-O 3Å; V43-F59 HydrophobicContact CB-CD1 3.9Å; V43-F59 HydrophobicContact CB-CE1 4.11Å; V43-F59 HydrophobicContact CG1-CD1 4.21Å; V43-F59 HydrophobicContact CG1-CE1 4.3Å; V43-F59 WeakPolarHBondContact O-CA 3.38Å; V43-C60 PolarHBondContact O-N 2.75Å
44D76.2Confident59.7Low71 Ų7192.6 Ų92.638%0.3851%0.509SS..EExtended strand (participates in β ladder)trans-76.8123.1171.7-77.5-34.1000109.7C60 K62D44-C60 CarbonylContact C-O 3.39Å; D44-C60 WeakPolarHBondContact CA-O 3.41Å; D44-K62 VanDerWaalsContact CG-NZ 3.34Å; D44-K62 WeakPolarHBondContact OD1-CE 3.08Å; D44-K62 IonicContact OD1-NZ 3.76Å; D44-K62 PolarHBondContact OD1-NZ 3.42Å; D44-K62 WeakPolarHBondContact OD2-CE 3.4Å; D44-K62 IonicContact OD2-NZ 2.87Å; D44-K62 PolarHBondContact OD2-NZ 3.25Å
45L76.6Confident61.5Low7 Ų785 Ų854%0.03748%0.477CS..EExtended strand (participates in β ladder)trans-86.9130.1-179.7-67.9173.4000111.3Y51 F59 C60 Y61 V78 F133 V145 P147L45-Y51 HydrophobicContact CB-CE2 4.46Å; L45-Y51 HydrophobicContact CD2-CD2 3.29Å; L45-Y51 HydrophobicContact CD2-CE2 3.42Å; L45-Y51 VanDerWaalsContact CD2-CE2 3.42Å; L45-Y51 HydrophobicContact CD2-CG 4.12Å; L45-F59 HydrophobicContact CD1-CB 3.79Å; L45-F59 HydrophobicContact CD1-CD1 4.32Å; L45-F59 HydrophobicContact CD1-CG 4.28Å; L45-F59 HydrophobicContact CD2-CD1 3.72Å; L45-F59 HydrophobicContact CD2-CE1 4.34Å; L45-F59 HydrophobicContact CD2-CG 4.46Å; L45-F59 HydrophobicContact CG-CB 4.11Å; L45-F59 HydrophobicContact CG-CD1 4.06Å; L45-F59 HydrophobicContact CG-CG 4.45Å; L45-C60 PolarHBondContact N-O 3.49Å; L45-Y61 HydrophobicContact CB-CD2 4.09Å; L45-V78 HydrophobicContact CD1-CG1 4.37Å; L45-V78 HydrophobicContact CD1-CG2 4.46Å; L45-F133 HydrophobicContact CD1-CE1 3.66Å; L45-F133 HydrophobicContact CD1-CZ 3.57Å; L45-V145 HydrophobicContact CD1-CG1 3.94Å; L45-V145 HydrophobicContact CD2-CG1 3.9Å; L45-P147 HydrophobicContact CB-CG 4.33Å
46Q72.9Confident63.7Low122 Ų12277.1 Ų77.157%0.5745%0.452SS*.PPolyproline II helixtrans-103.7146.8172.1-59.8-169.514.400112.2G48 E49 Y51 P147Q46-G48 PolarHBondContact O-N 3.17Å; Q46-E49 HydrophobicContact CB-CG 4.29Å; Q46-E49 PolarHBondContact O-N 3Å; Q46-Y51 PolarHBondContact N-OH 2.93Å; Q46-Y51 VanDerWaalsContact N-OH 3.15Å; Q46-P147 WeakPolarHBondContact O-CG 3.19Å
47D71.6Confident65.7Low69 Ų6972 Ų7237%0.36942%0.419SS..THydrogen-bonded Turntrans-60128.8-178.5-81.8-28.2000112.2E49 Y61 R149D47-E49 VanDerWaalsContact C-N 3.29Å; D47-E49 PolarHBondContact O-N 2.85Å; D47-Y61 WeakPolarHBondContact OD1-CE2 3.49Å; D47-Y61 VanDerWaalsContact OD1-CZ 3.3Å; D47-Y61 PolarHBondContact OD1-OH 3.36Å; D47-Y61 PolarHBondContact OD2-OH 3.14Å; D47-Y61 VanDerWaalsContact OD2-OH 3.07Å; D47-R149 IonicContact OD2-CZ 2.88Å; D47-R149 VanDerWaalsContact OD2-CZ 3.23Å; D47-R149 IonicContact OD2-NE 2.95Å; D47-R149 PolarHBondContact OD2-NE 2.87Å; D47-R149 IonicContact OD2-NH2 2.98Å; D47-R149 PolarHBondContact OD2-NH2 3.05Å
48G66.4Low68.1Low50 Ų5075.3 Ų75.352%0.51542%0.418SS..THydrogen-bonded Turntrans86.7-19.217500000115.6Q46 P147Q46-G48 PolarHBondContact O-N 3.17Å; G48-P147 PolarHBondContact N-O 2.89Å
49E74.8Confident70.3Confident92 Ų9270.9 Ų70.943%0.4337%0.372SS..  trans-73.7150.4177.1-66.1-155.8149.600112.5Q46 D47 Y51 P147Q46-E49 HydrophobicContact CB-CG 4.29Å; Q46-E49 PolarHBondContact O-N 3Å; D47-E49 VanDerWaalsContact C-N 3.29Å; D47-E49 PolarHBondContact O-N 2.85Å; E49-Y51 HydrophobicContact CB-CE2 3.83Å; E49-Y51 PolarHBondContact OE2-OH 3.25Å; E49-P147 WeakPolarHBondContact O-CD 3.28Å
50Q74.3Confident72.2Confident122 Ų12266.6 Ų66.657%0.5735%0.346SS*.  trans-112.5122.7177.2-74.6-179.7-19.500109.5T144 K146Q50-T144 HydrophobicContact CB-CG2 4.45Å; Q50-K146 HydrophobicContact CG-CB 4.28Å; Q50-K146 HydrophobicContact CG-CD 3.78Å; Q50-K146 HydrophobicContact CG-CG 4.01Å
51Y76.4Confident73.4Confident33 Ų3360.2 Ų60.213%0.12932%0.322CS..EExtended strand (participates in β ladder)trans-108.7117.6177.6-56.3-84.6000109.6L45 Q46 E49 M53 T144 V145L45-Y51 HydrophobicContact CB-CE2 4.46Å; L45-Y51 HydrophobicContact CD2-CD2 3.29Å; L45-Y51 HydrophobicContact CD2-CE2 3.42Å; L45-Y51 VanDerWaalsContact CD2-CE2 3.42Å; L45-Y51 HydrophobicContact CD2-CG 4.12Å; Q46-Y51 PolarHBondContact N-OH 2.93Å; Q46-Y51 VanDerWaalsContact N-OH 3.15Å; E49-Y51 HydrophobicContact CB-CE2 3.83Å; E49-Y51 PolarHBondContact OE2-OH 3.25Å; Y51-M53 HydrophobicContact CD1-CE 4.34Å; Y51-T144 WeakPolarHBondContact O-CA 3.44Å; Y51-V145 PolarHBondContact N-O 3.43Å; Y51-V145 PolarHBondContact O-N 3.35Å
52L78Confident74Confident108 Ų10859.2 Ų59.257%0.56531%0.307SS*.EExtended strand (participates in β ladder)trans-93.7121.5171.4-177.370.2000108.8Q142L52-Q142 HydrophobicContact CD1-CB 4.36Å
53M75.9Confident74.2Confident46 Ų4656.7 Ų56.723%0.22729%0.294CS..EExtended strand (participates in β ladder)trans-133.7150.5-172.6-67.1-68.2165.400112.3Y51 F59 Y143Y51-M53 HydrophobicContact CD1-CE 4.34Å; M53-F59 HydrophobicContact CB-CZ 4.35Å; M53-F59 HydrophobicContact CG-CE1 4.18Å; M53-F59 HydrophobicContact CG-CZ 3.91Å; M53-Y143 HydrophobicContact CB-CE1 4.01Å; M53-Y143 HydrophobicContact CB-CE2 3.87Å; M53-Y143 PolarHBondContact N-O 3.38Å; M53-Y143 WeakPolarHBondContact O-CD1 3.46Å; M53-Y143 PolarHBondContact O-N 2.92Å; M53-Y143 VanDerWaalsContact O-N 3.14Å
54L71.1Confident73.7Confident111 Ų11160.9 Ų60.958%0.58132%0.32SS*.EExtended strand (participates in β ladder)trans-120.2124.2179.7-79.3148.4000109.4Q142L54-Q142 HydrophobicContact CD1-CG 4.49Å; L54-Q142 HydrophobicContact CD2-CB 4.5Å; L54-Q142 HydrophobicContact CD2-CG 3.35Å; L54-Q142 HydrophobicContact CG-CG 3.81Å
55G68.1Low73.1Confident12 Ų1260 Ų6012%0.12432%0.317CS..SBendtrans78.6-179.4178.300000115.2N57 Y143G55-N57 PolarHBondContact O-N 2.95Å; G55-Y143 WeakPolarHBondContact O-CE1 3.44Å; G55-Y143 PolarHBondContact O-OH 3.07Å
56P71Confident72.5Confident48 Ų4865.3 Ų65.331%0.31235%0.35SS..  trans-73.4116.5-170.825.8-32.5000112.5R40 V135 D136R40-P56 WeakPolarHBondContact CD-O 3.33Å; R40-P56 VanDerWaalsContact NH1-CD 3.26Å; R40-P56 VanDerWaalsContact NH1-CG 3.32Å; R40-P56 PolarHBondContact NH1-O 2.87Å; P56-V135 WeakPolarHBondContact CA-O 3.45Å; P56-D136 WeakPolarHBondContact CB-OD1 3.38Å
57N74.2Confident72Confident25 Ų2561.8 Ų61.813%0.13434%0.337CS..EExtended strand (participates in β ladder)trans-125.1155.2178.3-64.7-30.4000111.5G55 F59 V135 Y143G55-N57 PolarHBondContact O-N 2.95Å; N57-F59 HydrophobicContact CB-CE2 3.98Å; N57-F59 HydrophobicContact CB-CZ 3.93Å; N57-V135 PolarHBondContact N-O 3.35Å; N57-V135 PolarHBondContact O-N 3.31Å; N57-Y143 WeakPolarHBondContact CB-OH 3.17Å; N57-Y143 PolarHBondContact ND2-OH 2.91Å
58R76.9Confident71.7Confident116 Ų11662.1 Ų62.144%0.43834%0.342SS..EExtended strand (participates in β ladder)trans-103.7125.5176-61.3179.9-177.1-169.3-0.5108.1I42 V43 K134I42-R58 HydrophobicContact CG1-CB 4.49Å; V43-R58 PolarHBondContact N-O 3Å; R58-K134 HydrophobicContact CG-CG 4.46Å
59F79.1Confident71.7Confident0 Ų068.9 Ų68.90%035%0.352CS..EExtended strand (participates in β ladder)trans-112.4142.6177.1-61.1-80.7000109.5V43 L45 M53 N57 C132 F133 V135 Y143 V145V43-F59 HydrophobicContact CB-CD1 3.9Å; V43-F59 HydrophobicContact CB-CE1 4.11Å; V43-F59 HydrophobicContact CG1-CD1 4.21Å; V43-F59 HydrophobicContact CG1-CE1 4.3Å; V43-F59 WeakPolarHBondContact O-CA 3.38Å; L45-F59 HydrophobicContact CD1-CB 3.79Å; L45-F59 HydrophobicContact CD1-CD1 4.32Å; L45-F59 HydrophobicContact CD1-CG 4.28Å; L45-F59 HydrophobicContact CD2-CD1 3.72Å; L45-F59 HydrophobicContact CD2-CE1 4.34Å; L45-F59 HydrophobicContact CD2-CG 4.46Å; L45-F59 HydrophobicContact CG-CB 4.11Å; L45-F59 HydrophobicContact CG-CD1 4.06Å; L45-F59 HydrophobicContact CG-CG 4.45Å; M53-F59 HydrophobicContact CB-CZ 4.35Å; M53-F59 HydrophobicContact CG-CE1 4.18Å; M53-F59 HydrophobicContact CG-CZ 3.91Å; N57-F59 HydrophobicContact CB-CE2 3.98Å; N57-F59 HydrophobicContact CB-CZ 3.93Å; F59-C132 CarbonylContact O-C 3.54Å; F59-C132 WeakPolarHBondContact O-CA 3.33Å; F59-F133 HydrophobicContact CB-CD1 4.28Å; F59-F133 HydrophobicContact CB-CD2 4.33Å; F59-F133 HydrophobicContact CB-CE1 3.76Å; F59-F133 HydrophobicContact CB-CE2 3.83Å; F59-F133 HydrophobicContact CB-CZ 3.51Å; F59-F133 HydrophobicContact CD2-CD2 4.22Å; F59-F133 AromaticContact CD2-CE2 3.62Å; F59-F133 HydrophobicContact CD2-CE2 3.62Å; F59-F133 HydrophobicContact CD2-CZ 4.06Å; F59-F133 AromaticContact CG-CE2 4Å; F59-F133 HydrophobicContact CG-CE2 4Å; F59-F133 AromaticContact CG-CZ 3.95Å; F59-F133 HydrophobicContact CG-CZ 3.95Å; F59-F133 PolarHBondContact N-O 3.14Å; F59-F133 PolarHBondContact O-N 3.36Å; F59-V135 HydrophobicContact CD2-CG2 3.97Å; F59-V135 HydrophobicContact CE2-CB 4.21Å; F59-V135 HydrophobicContact CE2-CG2 3.95Å; F59-Y143 AromaticContact CE2-CE2 3.66Å; F59-Y143 HydrophobicContact CE2-CE2 3.66Å; F59-Y143 AromaticContact CZ-CE2 3.71Å; F59-Y143 HydrophobicContact CZ-CE2 3.71Å; F59-V145 HydrophobicContact CE1-CG2 4.24Å; F59-V145 HydrophobicContact CE2-CG2 3.95Å; F59-V145 HydrophobicContact CZ-CG2 3.79Å
60C78.6Confident71.2Confident10 Ų1073.4 Ų73.47%0.06837%0.365CS..EExtended strand (participates in β ladder)trans-125.7131.7167.6-69.10000109.1I42 V43 D44 L45 T131 C132I42-C60 HydrophobicContact CG2-CB 3.91Å; I42-C60 WeakPolarHBondContact CG2-SG 3.26Å; V43-C60 PolarHBondContact O-N 2.75Å; D44-C60 CarbonylContact C-O 3.39Å; D44-C60 WeakPolarHBondContact CA-O 3.41Å; L45-C60 PolarHBondContact N-O 3.49Å; C60-T131 WeakPolarHBondContact CA-O 3.46Å; C60-C132 HydrophobicContact CB-CB 4.21Å; C60-C132 WeakPolarHBondContact CB-SG 3.34Å; C60-C132 WeakPolarHBondContact SG-CB 3.34Å; C60-C132 CovalentContact SG-SG 2.05Å; C60-C132 PolarHBondContact SG-SG 3.01Å
61Y77.3Confident71Confident2 Ų269.9 Ų69.91%0.00835%0.349CS..EExtended strand (participates in β ladder)trans-102.1124.6171.7-179.4-95000108.6L45 D47 N63 I76 I124 K130 T131 P147 R149L45-Y61 HydrophobicContact CB-CD2 4.09Å; D47-Y61 WeakPolarHBondContact OD1-CE2 3.49Å; D47-Y61 VanDerWaalsContact OD1-CZ 3.3Å; D47-Y61 PolarHBondContact OD1-OH 3.36Å; D47-Y61 PolarHBondContact OD2-OH 3.14Å; D47-Y61 VanDerWaalsContact OD2-OH 3.07Å; Y61-N63 HydrophobicContact CE1-CB 4.17Å; Y61-I76 HydrophobicContact CE1-CD1 4.33Å; Y61-I76 HydrophobicContact CE1-CG2 3.79Å; Y61-I124 HydrophobicContact CD1-CD1 3.59Å; Y61-I124 HydrophobicContact CD1-CG2 4.01Å; Y61-I124 HydrophobicContact CD2-CD1 4.29Å; Y61-I124 HydrophobicContact CE1-CD1 4.3Å; Y61-I124 HydrophobicContact CE1-CG2 4.34Å; Y61-I124 HydrophobicContact CG-CD1 3.57Å; Y61-K130 WeakPolarHBondContact O-CA 3.43Å; Y61-T131 PolarHBondContact N-O 3.28Å; Y61-T131 PolarHBondContact O-N 3.35Å; Y61-P147 HydrophobicContact CD2-CB 4.08Å; Y61-P147 HydrophobicContact CE2-CB 3.91Å; Y61-R149 PolarHBondContact OH-NH2 3.36Å; Y61-R149 VanDerWaalsContact OH-NH2 3.1Å
62K73.8Confident70.7Confident85 Ų8568.8 Ų68.837%0.3735%0.345SS..EExtended strand (participates in β ladder)trans-103.6115.3177.2-67.9176.5179.7162.30108.5D44 T64 K129 K130D44-K62 VanDerWaalsContact CG-NZ 3.34Å; D44-K62 WeakPolarHBondContact OD1-CE 3.08Å; D44-K62 IonicContact OD1-NZ 3.76Å; D44-K62 PolarHBondContact OD1-NZ 3.42Å; D44-K62 WeakPolarHBondContact OD2-CE 3.4Å; D44-K62 IonicContact OD2-NZ 2.87Å; D44-K62 PolarHBondContact OD2-NZ 3.25Å; K62-T64 PolarHBondContact O-N 3.43Å; K62-K129 WeakPolarHBondContact CA-O 3.4Å; K62-K130 HydrophobicContact CG-CG 4.21Å
63N70.3Confident70.7Confident27 Ų2765.4 Ų65.414%0.14433%0.325CS..  trans-81.2105.2173.6-1708.5000109.4Y61 V65 L126 K129 R149Y61-N63 HydrophobicContact CE1-CB 4.17Å; N63-V65 PolarHBondContact OD1-N 2.75Å; N63-L126 PolarHBondContact ND2-O 3.49Å; N63-K129 PolarHBondContact N-O 3.04Å; N63-K129 VanDerWaalsContact N-O 3.13Å; N63-R149 PolarHBondContact OD1-NH2 3.23Å
64T63.5Low70.7Confident122 Ų12264.1 Ų64.175%0.74832%0.32SS*.  trans-90-10-179.151.90000113.5K62K62-T64 PolarHBondContact O-N 3.43Å
65V65.2Low70.8Confident54 Ų5462.4 Ų62.433%0.32731%0.306SS..SBendtrans-100.3124.4-173.2-177.50000110.5N63N63-V65 PolarHBondContact OD1-N 2.75Å
66V62.7Low71.1Confident118 Ų11861.9 Ų61.972%0.71530%0.3SS*.PPolyproline II helixtrans-67.8125.6173-176.50000108.9T68V66-T68 PolarHBondContact O-N 3.5Å; V66-T68 VanDerWaalsContact O-N 3.14Å
67P63.4Low71.3Confident47 Ų4761.9 Ų61.931%0.30529%0.294SS..PPolyproline II helixtrans-64.2117.5-176.223.9-31.8000110.6F127P67-F127 HydrophobicContact CG-CE1 4.27Å; P67-F127 HydrophobicContact CG-CE2 4.1Å; P67-F127 HydrophobicContact CG-CZ 3.77Å
68T65.2Low71.5Confident77 Ų7760.7 Ų60.747%0.47229%0.288SS..PPolyproline II helixtrans-91.9158.9170.4-53.30000110V66 R70 Q71V66-T68 PolarHBondContact O-N 3.5Å; V66-T68 VanDerWaalsContact O-N 3.14Å; T68-R70 PolarHBondContact O-N 2.92Å; T68-Q71 WeakPolarHBondContact O-CA 3.5Å; T68-Q71 WeakPolarHBondContact O-CB 3.34Å; T68-Q71 PolarHBondContact O-N 3.31Å
69W65.2Low71.6Confident191 Ų19157.7 Ų57.772%0.72328%0.278SS*.G310 helixtrans-52.6-32.5-179.771.6-93.9000114.3Q71 T72W69-Q71 PolarHBondContact O-N 3.39Å; W69-T72 WeakPolarHBondContact O-CB 3.3Å; W69-T72 PolarHBondContact O-N 3.33Å; W69-T72 PolarHBondContact O-OG1 2.77Å
70R64.9Low71.4Confident188 Ų18857.7 Ų57.771%0.70928%0.278SS*.G310 helixtrans-66.1-18.6176.5-173.2176.9-105.1-101.23.3112.8T68T68-R70 PolarHBondContact O-N 2.92Å
71Q69.4Low71.2Confident47 Ų4760.7 Ų60.722%0.2229%0.288CS..G310 helixtrans-98.12.7-178-66172.3-13.600113.3T68 W69 W73 T74T68-Q71 WeakPolarHBondContact O-CA 3.5Å; T68-Q71 WeakPolarHBondContact O-CB 3.34Å; T68-Q71 PolarHBondContact O-N 3.31Å; W69-Q71 PolarHBondContact O-N 3.39Å; Q71-W73 PolarHBondContact O-N 2.96Å; Q71-W73 VanDerWaalsContact O-N 3.14Å; Q71-T74 HydrophobicContact CB-CG2 4.21Å; Q71-T74 WeakPolarHBondContact CB-OG1 3.35Å; Q71-T74 HydrophobicContact CG-CG2 4.31Å; Q71-T74 PolarHBondContact O-N 3.41Å; Q71-T74 PolarHBondContact O-OG1 3.35Å
72T70.7Confident70.9Confident10 Ų1061.2 Ų61.26%0.06129%0.292CS..THydrogen-bonded Turntrans-56.8-32.4-178.5-49.10000113.2W69 I288 I290 V293W69-T72 WeakPolarHBondContact O-CB 3.3Å; W69-T72 PolarHBondContact O-N 3.33Å; W69-T72 PolarHBondContact O-OG1 2.77Å; T72-I288 HydrophobicContact CG2-CG2 4.02Å; T72-I290 HydrophobicContact CG2-CD1 4.27Å; T72-V293 HydrophobicContact CG2-CG1 4.09Å
73W77.5Confident70.2Confident38 Ų3862.4 Ų62.414%0.14431%0.311CS..THydrogen-bonded Turntrans-109.219.5177.1-54.1-84.5000113.1Q71 F151 D152 F156 F159Q71-W73 PolarHBondContact O-N 2.96Å; Q71-W73 VanDerWaalsContact O-N 3.14Å; W73-F151 HydrophobicContact CB-CD2 4.21Å; W73-F151 HydrophobicContact CB-CE2 3.64Å; W73-F151 HydrophobicContact CB-CZ 3.95Å; W73-F151 HydrophobicContact CE3-CE2 4.29Å; W73-F151 HydrophobicContact CG-CE2 4.44Å; W73-D152 PolarHBondContact O-N 3.15Å; W73-F156 HydrophobicContact CB-CB 4.4Å; W73-F156 AromaticContact CD2-CD2 3.85Å; W73-F156 HydrophobicContact CD2-CD2 3.85Å; W73-F156 AromaticContact CE2-CD2 3.83Å; W73-F156 HydrophobicContact CE3-CD2 4.21Å; W73-F156 HydrophobicContact CG-CB 4.11Å; W73-F156 HydrophobicContact CG-CD2 4.22Å; W73-F156 HydrophobicContact CZ2-CD2 4.19Å; W73-F156 HydrophobicContact CZ2-CE2 4.45Å; W73-F159 HydrophobicContact CH2-CE1 4.45Å; W73-F159 AromaticContact CZ2-CD1 3.6Å; W73-F159 HydrophobicContact CZ2-CD1 3.6Å; W73-F159 AromaticContact CZ2-CE1 3.68Å; W73-F159 HydrophobicContact CZ2-CE1 3.68Å; W73-F159 HydrophobicContact CZ2-CG 4.14Å; W73-F159 HydrophobicContact CZ2-CZ 4.26Å; W73-F159 AromaticContact NE1-CD1 3.96Å; W73-F159 AromaticContact NE1-CG 3.8Å
74T76.6Confident69.7Low18 Ų1866.8 Ų66.811%0.1133%0.328CS..EExtended strand (participates in β ladder)trans-85.1126171.4590000109.3Q71 L126 Q289Q71-T74 HydrophobicContact CB-CG2 4.21Å; Q71-T74 WeakPolarHBondContact CB-OG1 3.35Å; Q71-T74 HydrophobicContact CG-CG2 4.31Å; Q71-T74 PolarHBondContact O-N 3.41Å; Q71-T74 PolarHBondContact O-OG1 3.35Å; T74-L126 VanDerWaalsContact O-CD1 3.32Å; T74-L126 WeakPolarHBondContact O-CD1 3.42Å; T74-Q289 PolarHBondContact O-OE1 3.47Å
75R74.3Confident69.4Low76 Ų7663.5 Ų63.529%0.28731%0.308SS..EExtended strand (participates in β ladder)trans-100.5124.9175.8-172.4174.3175169.50108.7Y77 N123 K150 D152R75-Y77 HydrophobicContact CG-CD1 4.18Å; R75-N123 VanDerWaalsContact CZ-OD1 3.23Å; R75-N123 PolarHBondContact NE-OD1 3.37Å; R75-N123 VanDerWaalsContact NH2-CG 3.3Å; R75-N123 PolarHBondContact NH2-ND2 2.79Å; R75-N123 PolarHBondContact NH2-OD1 3.34Å; R75-K150 PolarHBondContact N-O 3.42Å; R75-K150 PolarHBondContact O-N 2.62Å; R75-K150 VanDerWaalsContact O-N 3.15Å; R75-D152 HydrophobicContact CB-CB 3.98Å; R75-D152 WeakPolarHBondContact CD-OD2 3.27Å; R75-D152 IonicContact CZ-OD2 3.24Å; R75-D152 IonicContact NE-OD2 2.68Å; R75-D152 IonicContact NH1-OD2 2.97Å; R75-D152 PolarHBondContact NH1-OD2 3.14Å
76I74.1Confident69.1Low1 Ų161.4 Ų61.41%0.00530%0.295CS..EExtended strand (participates in β ladder)trans-95.9120170.7-55.3174.9000106.7Y61 I124 L126 R149Y61-I76 HydrophobicContact CE1-CD1 4.33Å; Y61-I76 HydrophobicContact CE1-CG2 3.79Å; I76-I124 HydrophobicContact CB-CB 4.24Å; I76-I124 HydrophobicContact CG2-CB 4.02Å; I76-I124 HydrophobicContact CG2-CD1 4.19Å; I76-I124 HydrophobicContact CG2-CG2 4.31Å; I76-I124 PolarHBondContact O-N 3.24Å; I76-L126 HydrophobicContact CD1-CG 4.14Å; I76-L126 HydrophobicContact CG1-CG 4.43Å; I76-R149 HydrophobicContact CG1-CG 4.22Å
77Y75.1Confident68.7Low48 Ų4861.6 Ų61.619%0.18829%0.286CS..EExtended strand (participates in β ladder)trans-138.4147.3174.162.5-90.4000111.1R75 K79 V121 I122 I148 K150R75-Y77 HydrophobicContact CG-CD1 4.18Å; Y77-K79 HydrophobicContact CD2-CB 4.44Å; Y77-K79 HydrophobicContact CE2-CB 4.38Å; Y77-V121 HydrophobicContact CD2-CG1 3.62Å; Y77-V121 HydrophobicContact CE2-CG1 4.5Å; Y77-V121 HydrophobicContact CG-CG1 3.77Å; Y77-I122 CarbonylContact C-O 3.49Å; Y77-I122 WeakPolarHBondContact CA-O 3.16Å; Y77-I122 WeakPolarHBondContact CB-O 3.31Å; Y77-I148 HydrophobicContact CD2-CB 4.46Å; Y77-I148 HydrophobicContact CE1-CB 4.44Å; Y77-I148 HydrophobicContact CE1-CG2 4.43Å; Y77-I148 HydrophobicContact CE2-CB 3.95Å; Y77-I148 HydrophobicContact CE2-CD1 4.03Å; Y77-I148 HydrophobicContact CE2-CG1 4.39Å; Y77-I148 HydrophobicContact CE2-CG2 4.47Å; Y77-I148 PolarHBondContact N-O 3.28Å; Y77-I148 PolarHBondContact O-N 2.92Å; Y77-K150 HydrophobicContact CE1-CB 4.42Å
78V77.1Confident68.3Low0 Ų060 Ų600%028%0.276CS..EExtended strand (participates in β ladder)trans-99.4116.2172.7-170.40000107.8L45 V80 I122 I124 F133 V145 P147L45-V78 HydrophobicContact CD1-CG1 4.37Å; L45-V78 HydrophobicContact CD1-CG2 4.46Å; V78-V80 HydrophobicContact CG1-CG2 4.18Å; V78-I122 HydrophobicContact CB-CB 4.33Å; V78-I122 PolarHBondContact N-O 3.06Å; V78-I122 PolarHBondContact O-N 2.86Å; V78-I124 HydrophobicContact CG2-CD1 3.41Å; V78-I124 VanDerWaalsContact CG2-CD1 3.41Å; V78-I124 HydrophobicContact CG2-CG1 4.25Å; V78-F133 HydrophobicContact CB-CE1 4.43Å; V78-F133 HydrophobicContact CB-CZ 4.26Å; V78-F133 HydrophobicContact CG1-CE1 4.39Å; V78-F133 HydrophobicContact CG1-CZ 3.8Å; V78-F133 HydrophobicContact CG2-CE1 4.03Å; V78-F133 HydrophobicContact CG2-CZ 4.28Å; V78-V145 HydrophobicContact CG1-CG1 3.34Å; V78-P147 HydrophobicContact CG2-CB 4.38Å
79K79.6Confident67.7Low52 Ų5260 Ų6023%0.22627%0.27CS..EExtended strand (participates in β ladder)trans-87.6118.7173-163.6-173.1173174.80107.7Y77 W81 E119 K146 I148Y77-K79 HydrophobicContact CD2-CB 4.44Å; Y77-K79 HydrophobicContact CE2-CB 4.38Å; K79-W81 HydrophobicContact CB-CE3 4.09Å; K79-W81 HydrophobicContact CB-CZ3 3.91Å; K79-W81 HydrophobicContact CD-CE3 3.7Å; K79-W81 HydrophobicContact CD-CZ3 3.79Å; K79-W81 HydrophobicContact CG-CE3 3.7Å; K79-W81 HydrophobicContact CG-CZ3 3.94Å; K79-E119 VanDerWaalsContact CE-CD 3.41Å; K79-E119 WeakPolarHBondContact CE-OE1 3.47Å; K79-E119 WeakPolarHBondContact CE-OE2 3.34Å; K79-E119 IonicContact NZ-OE1 3.91Å; K79-E119 PolarHBondContact NZ-OE1 3.41Å; K79-E119 IonicContact NZ-OE2 2.82Å; K79-E119 PolarHBondContact NZ-OE2 3.24Å; K79-K146 PolarHBondContact N-O 3.45Å; K79-K146 PolarHBondContact O-N 3.37Å; K79-I148 HydrophobicContact CB-CD1 4.37Å
80V75.9Confident66.8Low0 Ų054.4 Ų54.40%026%0.257CS..EExtended strand (participates in β ladder)trans-111.6124.5172.5-1730000108V78 F86 T120 I122 F133 V135 Y143 T144 V145V78-V80 HydrophobicContact CG1-CG2 4.18Å; V80-F86 HydrophobicContact CB-CE2 3.87Å; V80-F86 HydrophobicContact CB-CZ 4.12Å; V80-F86 HydrophobicContact CG1-CD2 4.21Å; V80-F86 HydrophobicContact CG1-CE2 3.47Å; V80-F86 VanDerWaalsContact CG1-CE2 3.47Å; V80-F86 HydrophobicContact CG1-CZ 3.91Å; V80-F86 WeakPolarHBondContact O-CZ 3.33Å; V80-T120 PolarHBondContact N-O 3.45Å; V80-T120 VanDerWaalsContact N-O 3.09Å; V80-T120 PolarHBondContact O-N 2.85Å; V80-T120 VanDerWaalsContact O-N 3.13Å; V80-I122 HydrophobicContact CG2-CD1 4.26Å; V80-F133 HydrophobicContact CG2-CE2 4.44Å; V80-V135 HydrophobicContact CG1-CG1 4.33Å; V80-Y143 HydrophobicContact CG1-CD2 4.03Å; V80-T144 WeakPolarHBondContact CA-O 3.32Å; V80-V145 HydrophobicContact CG1-CG2 4.33Å; V80-V145 HydrophobicContact CG2-CG1 4.34Å; V80-V145 HydrophobicContact CG2-CG2 4.24Å
81W73.4Confident66Low74 Ų7448.1 Ų48.128%0.2824%0.239SC..EExtended strand (participates in β ladder)trans-129.4141.4176.560.585.3000111.1K79 E119 Y143 T144 K146K79-W81 HydrophobicContact CB-CE3 4.09Å; K79-W81 HydrophobicContact CB-CZ3 3.91Å; K79-W81 HydrophobicContact CD-CE3 3.7Å; K79-W81 HydrophobicContact CD-CZ3 3.79Å; K79-W81 HydrophobicContact CG-CE3 3.7Å; K79-W81 HydrophobicContact CG-CZ3 3.94Å; W81-E119 HydrophobicContact CB-CG 4.42Å; W81-Y143 WeakPolarHBondContact O-CA 3.42Å; W81-T144 HydrophobicContact CH2-CG2 4.01Å; W81-T144 HydrophobicContact CZ2-CG2 3.37Å; W81-T144 PolarHBondContact N-O 2.82Å; W81-T144 VanDerWaalsContact N-O 3.09Å; W81-T144 VanDerWaalsContact NE1-CB 3.26Å; W81-T144 PolarHBondContact NE1-OG1 2.94Å; W81-T144 PolarHBondContact O-N 3.33Å; W81-K146 HydrophobicContact CH2-CB 3.61Å; W81-K146 HydrophobicContact CH2-CD 4.1Å; W81-K146 HydrophobicContact CH2-CG 4.49Å; W81-K146 HydrophobicContact CZ3-CB 3.72Å
82S70.3Confident64.8Low13 Ų1352.3 Ų52.39%0.09126%0.259CS..EExtended strand (participates in β ladder)trans-143.9148.5-179167.70000109.2K84 Q142S82-K84 WeakPolarHBondContact CB-O 3.41Å; S82-K84 PolarHBondContact O-N 2.89Å; S82-K84 PolarHBondContact OG-N 3.23Å; S82-K84 VanDerWaalsContact OG-N 3.16Å; S82-K84 PolarHBondContact OG-O 2.93Å; S82-Q142 PolarHBondContact OG-O 2.93Å
83S60.5Low63.6Low109 Ų10953 Ų5376%0.76227%0.269SS*.SBendtrans-70.1-14.5174.660.40000113.4
84K59.8Low62.1Low119 Ų11958.6 Ų58.652%0.51730%0.296SS..SBendtrans-130.8155.2179.2-62.7-175.3-179178.50110.8S82 F86 A141S82-K84 WeakPolarHBondContact CB-O 3.41Å; S82-K84 PolarHBondContact O-N 2.89Å; S82-K84 PolarHBondContact OG-N 3.23Å; S82-K84 VanDerWaalsContact OG-N 3.16Å; S82-K84 PolarHBondContact OG-O 2.93Å; K84-F86 PolarHBondContact O-N 3.04Å; K84-A141 HydrophobicContact CB-CB 3.91Å; K84-A141 HydrophobicContact CD-CB 4.2Å; K84-A141 HydrophobicContact CG-CB 4.28Å
85V57.5Low60.5Low54 Ų5466.9 Ų66.933%0.32733%0.333SS..  trans-55131.2-179.1-162.40000111Q116 T138V85-Q116 HydrophobicContact CG1-CB 3.94Å; V85-Q116 HydrophobicContact CG1-CG 4.12Å; V85-T138 WeakPolarHBondContact O-CB 3.48Å; V85-T138 PolarHBondContact O-OG1 3.3Å
86F57.8Low58.9Low10 Ų1068.6 Ų68.64%0.04435%0.345CS..EExtended strand (participates in β ladder)trans-133.1154-178.362.5-75.6000111V80 K84 V88 N118 T120 V135 P137V80-F86 HydrophobicContact CB-CE2 3.87Å; V80-F86 HydrophobicContact CB-CZ 4.12Å; V80-F86 HydrophobicContact CG1-CD2 4.21Å; V80-F86 HydrophobicContact CG1-CE2 3.47Å; V80-F86 VanDerWaalsContact CG1-CE2 3.47Å; V80-F86 HydrophobicContact CG1-CZ 3.91Å; V80-F86 WeakPolarHBondContact O-CZ 3.33Å; K84-F86 PolarHBondContact O-N 3.04Å; F86-V88 HydrophobicContact CD2-CG2 3.41Å; F86-V88 VanDerWaalsContact CD2-CG2 3.41Å; F86-V88 HydrophobicContact CE2-CG2 3.21Å; F86-V88 HydrophobicContact CZ-CG2 4.4Å; F86-N118 WeakPolarHBondContact CE1-O 3.22Å; F86-T120 HydrophobicContact CE2-CG2 4Å; F86-T120 WeakPolarHBondContact CE2-OG1 3.33Å; F86-T120 HydrophobicContact CZ-CG2 3.8Å; F86-T120 VanDerWaalsContact CZ-OG1 3.28Å; F86-T120 WeakPolarHBondContact CZ-OG1 3.33Å; F86-V135 HydrophobicContact CD2-CG1 4.16Å; F86-P137 HydrophobicContact CB-CB 4.49Å
87K54.5Low57.3Low121 Ų12175.5 Ų75.553%0.52638%0.381SS..EExtended strand (participates in β ladder)trans-104.7115.7178.2-170.5179-180-175.70108.7Q89 D136K87-Q89 HydrophobicContact CG-CG 4.46Å; K87-D136 PolarHBondContact N-O 3.4Å; K87-D136 PolarHBondContact O-N 2.92Å
88V54Low55.4Low15 Ų1582 Ų829%0.09141%0.413CS..EExtended strand (participates in β ladder)trans-97.6127.4171.6-178.60000109.5F86 T90 T120 I122F86-V88 HydrophobicContact CD2-CG2 3.41Å; F86-V88 VanDerWaalsContact CD2-CG2 3.41Å; F86-V88 HydrophobicContact CE2-CG2 3.21Å; F86-V88 HydrophobicContact CZ-CG2 4.4Å; V88-T90 HydrophobicContact CG1-CG2 4Å; V88-T120 HydrophobicContact CG2-CG2 4.28Å; V88-T120 WeakPolarHBondContact CG2-OG1 3.28Å; V88-I122 HydrophobicContact CG1-CD1 3.47Å; V88-I122 VanDerWaalsContact CG1-CD1 3.47Å; V88-I122 HydrophobicContact CG1-CG1 3.9Å
89Q53.5Low53.4Low77 Ų7789.5 Ų89.536%0.3645%0.448SS..EExtended strand (participates in β ladder)trans-115.4109.3169.6-62.6-174.343.500108K87 K134K87-Q89 HydrophobicContact CG-CG 4.46Å; Q89-K134 PolarHBondContact N-O 3.38Å; Q89-K134 PolarHBondContact O-N 2.84Å; Q89-K134 VanDerWaalsContact O-O 3.13Å
90T47.1Very low51.3Low72 Ų7294 Ų9444%0.44247%0.474SS..EExtended strand (participates in β ladder)trans-88.2128.7175.751.20000108.9V88 I122 F133V88-T90 HydrophobicContact CG1-CG2 4Å; T90-I122 HydrophobicContact CG2-CB 4.14Å; T90-I122 HydrophobicContact CG2-CD1 3.9Å; T90-I122 HydrophobicContact CG2-CG1 3.7Å; T90-I122 HydrophobicContact CG2-CG2 3.45Å; T90-I122 VanDerWaalsContact CG2-CG2 3.45Å; T90-F133 HydrophobicContact CG2-CB 4.31Å
91V48.3Very low49.5Very low56 Ų56102.5 Ų102.534%0.33951%0.514SS..EExtended strand (participates in β ladder)trans-128.6115.9-179.2-175.90000108.7G93 C132V91-G93 VanDerWaalsContact C-N 3.3Å; V91-G93 PolarHBondContact O-N 3.19Å; V91-C132 CarbonylContact C-O 3.5Å; V91-C132 PolarHBondContact N-O 2.92Å
92E43.4Very low47.5Very low135 Ų135110 Ų11063%0.63154%0.542SS*.SBendtrans-81.775.8-175.2-152.9166.2-165.700110.3C128E92-C128 PolarHBondContact OE1-SG 2.95Å
93G46.2Very low46Very low26 Ų26117.2 Ų117.227%0.26857%0.572SS.*SBendtrans110.9157.6174.800000115V91 E95V91-G93 VanDerWaalsContact C-N 3.3Å; V91-G93 PolarHBondContact O-N 3.19Å; G93-E95 VanDerWaalsContact C-N 3.33Å; G93-E95 PolarHBondContact O-N 3.3Å
94E44.7Very low45.2Very low155 Ų155118.3 Ų118.372%0.72457%0.569SS**SBendtrans-81.4-6-172.5-165.1161.6-168.800113.6
95E42.6Very low44.2Very low191 Ų191117.8 Ų117.889%0.89358%0.576SS**SBendtrans-105.3-7.7-170-68.4-175.9168.500116G93G93-E95 VanDerWaalsContact C-N 3.33Å; G93-E95 PolarHBondContact O-N 3.3Å
96E42.3Very low43.2Very low113 Ų113123.4 Ų123.453%0.52859%0.591SS.*  trans-113.947.1179.8-69.4-166.5-178.800113.6
97L39.5Very low42.1Very low145 Ų145126.2 Ų126.276%0.75961%0.612SS**SBendtrans-81.2-0.2168.6-104162.9000113.6
98Q35.8Very low41.3Very low185 Ų185127.7 Ų127.786%0.86461%0.614SS**SBendtrans-128.5-9.4-176-112.6175.3-18.100116.4
99E35.1Very low40.4Very low157 Ų157130.1 Ų130.173%0.73462%0.624SS**SBendtrans-111.2-9.1-176.8-69-151.8154.300116E101E99-E101 PolarHBondContact O-N 3.31Å; E99-E101 VanDerWaalsContact O-N 3.15Å
100L35.3Very low39.8Very low148 Ų148130.6 Ų130.678%0.77563%0.628SS**THydrogen-bonded Turntrans-84.725.2174.8-118.686.7000114.5R102L100-R102 VanDerWaalsContact C-N 3.31Å
101E38.9Very low39.4Very low178 Ų178134.9 Ų134.983%0.83264%0.641SS**THydrogen-bonded Turntrans-93.919169.4-118.1-178-165.900112.9E99 F103E99-E101 PolarHBondContact O-N 3.31Å; E99-E101 VanDerWaalsContact O-N 3.15Å; E101-F103 PolarHBondContact O-N 2.89Å
102R31Very low38.9Very low232 Ų232138 Ų13888%0.87565%0.65SS**  trans-96.385.1165.2-135.8173.3-154.1-166.55.2110.6L100 N104L100-R102 VanDerWaalsContact C-N 3.31Å; R102-N104 PolarHBondContact O-N 3.43Å; R102-N104 VanDerWaalsContact O-N 3.15Å
103F38.3Very low38.7Very low164 Ų164135.1 Ų135.172%0.71964%0.639SS**  trans-50.6117.2164.6-87.4-87.4000110.2E101E101-F103 PolarHBondContact O-N 2.89Å
104N43.9Very low38.5Very low131 Ų131141.3 Ų141.370%0.70165%0.654SS**  trans-145.990.5163.9-157.317000110.3R102 W106R102-N104 PolarHBondContact O-N 3.43Å; R102-N104 VanDerWaalsContact O-N 3.15Å; N104-W106 PolarHBondContact O-N 3.42Å
105V39Very low38.5Very low109 Ų109138.1 Ų138.166%0.66164%0.639SS**SBendtrans61.3-42.6164-171.30000117.7W108 F109V105-W108 PolarHBondContact O-N 2.89Å; V105-F109 PolarHBondContact O-N 3.03Å; V105-F109 VanDerWaalsContact O-N 3.13Å
106W36.5Very low38.7Very low172 Ų172136.3 Ų136.365%0.65263%0.631SS**Hα-helixtrans-70.1-37.4-178.5-163.7-111.9000113.3N104 W108 F109 L110N104-W106 PolarHBondContact O-N 3.42Å; W106-W108 VanDerWaalsContact C-N 3.34Å; W106-W108 PolarHBondContact O-N 2.91Å; W106-F109 HydrophobicContact CE3-CD1 4.3Å; W106-F109 HydrophobicContact CZ3-CD1 4.18Å; W106-F109 HydrophobicContact CZ3-CE1 4.44Å; W106-F109 PolarHBondContact O-N 2.92Å; W106-L110 VanDerWaalsContact CD1-CD1 3.42Å; W106-L110 HydrophobicContact CG-CD1 4.26Å; W106-L110 WeakPolarHBondContact O-CB 3.33Å; W106-L110 WeakPolarHBondContact O-CG 3.34Å; W106-L110 PolarHBondContact O-N 3.09Å
107S34.9Very low39Very low68 Ų68136.2 Ų136.248%0.47663%0.63SS.*Hα-helixtrans-66.7-35.2177-1700000112.1F111S107-F111 WeakPolarHBondContact O-CB 3.09Å; S107-F111 PolarHBondContact O-N 3.43Å
108W38.1Very low39.6Very low152 Ų152134.2 Ų134.258%0.57662%0.62SS**Hα-helixtrans-70.8-41.3173.8-178.677000111.9V105 W106 F111 F112V105-W108 PolarHBondContact O-N 2.89Å; W106-W108 VanDerWaalsContact C-N 3.34Å; W106-W108 PolarHBondContact O-N 2.91Å; W108-F111 PolarHBondContact O-N 2.94Å; W108-F112 PolarHBondContact O-N 3.13Å
109F33.6Very low40.5Very low67 Ų67130.3 Ų130.329%0.29460%0.602SS.*Hα-helixtrans-63-44.6175-177-110.7000112.6V105 W106 F112 L113 L221V105-F109 PolarHBondContact O-N 3.03Å; V105-F109 VanDerWaalsContact O-N 3.13Å; W106-F109 HydrophobicContact CE3-CD1 4.3Å; W106-F109 HydrophobicContact CZ3-CD1 4.18Å; W106-F109 HydrophobicContact CZ3-CE1 4.44Å; W106-F109 PolarHBondContact O-N 2.92Å; F109-F112 PolarHBondContact O-N 2.95Å; F109-L113 HydrophobicContact CD1-CD1 3.83Å; F109-L113 HydrophobicContact CD2-CD1 4.44Å; F109-L113 HydrophobicContact CE1-CD1 3.37Å; F109-L113 HydrophobicContact CE2-CD1 4.02Å; F109-L113 HydrophobicContact CG-CD1 4.35Å; F109-L113 HydrophobicContact CZ-CD1 3.48Å; F109-L113 VanDerWaalsContact CZ-CD1 3.48Å; F109-L113 PolarHBondContact O-N 3.38Å; F109-L113 VanDerWaalsContact O-N 3.11Å; F109-L221 HydrophobicContact CE2-CD1 3.67Å; F109-L221 HydrophobicContact CZ-CD1 4.14Å
110L41.1Very low41.8Very low86 Ų86124.4 Ų124.445%0.4558%0.577SS.*Hα-helixtrans-67.8-33.5174.8-75.2170.4000112.7W106 L113 R114W106-L110 VanDerWaalsContact CD1-CD1 3.42Å; W106-L110 HydrophobicContact CG-CD1 4.26Å; W106-L110 WeakPolarHBondContact O-CB 3.33Å; W106-L110 WeakPolarHBondContact O-CG 3.34Å; W106-L110 PolarHBondContact O-N 3.09Å; L110-L113 PolarHBondContact O-N 3.09Å; L110-R114 VanDerWaalsContact O-CB 3.24Å; L110-R114 WeakPolarHBondContact O-CB 3.32Å; L110-R114 PolarHBondContact O-N 2.78Å
111F39.3Very low43.2Very low162 Ų162120.9 Ų120.971%0.71156%0.561SS**Hα-helixtrans-65.8-38.8174.2-178-96.7000111.8S107 W108 R114S107-F111 WeakPolarHBondContact O-CB 3.09Å; S107-F111 PolarHBondContact O-N 3.43Å; W108-F111 PolarHBondContact O-N 2.94Å; F111-R114 PolarHBondContact O-N 3.27Å
112F37.7Very low44.5Very low121 Ų121113.1 Ų113.153%0.53153%0.525SS..Hα-helixtrans-72-29.9177.7-158.4-96.3000113W108 F109 Y222W108-F112 PolarHBondContact O-N 3.13Å; F109-F112 PolarHBondContact O-N 2.95Å; F112-Y222 AromaticContact CE1-CD2 3.95Å; F112-Y222 HydrophobicContact CE1-CD2 3.95Å; F112-Y222 HydrophobicContact CZ-CD2 4.38Å
113L40.1Very low45.9Very low76 Ų76106.1 Ų106.140%0.39851%0.505SS..Hα-helixtrans-83.9-13.5174.7-77.7164.7000114.1F109 L110 E115F109-L113 HydrophobicContact CD1-CD1 3.83Å; F109-L113 HydrophobicContact CD2-CD1 4.44Å; F109-L113 HydrophobicContact CE1-CD1 3.37Å; F109-L113 HydrophobicContact CE2-CD1 4.02Å; F109-L113 HydrophobicContact CG-CD1 4.35Å; F109-L113 HydrophobicContact CZ-CD1 3.48Å; F109-L113 VanDerWaalsContact CZ-CD1 3.48Å; F109-L113 PolarHBondContact O-N 3.38Å; F109-L113 VanDerWaalsContact O-N 3.11Å; L110-L113 PolarHBondContact O-N 3.09Å; L113-E115 PolarHBondContact O-N 3.08Å
114R40.9Very low47.2Very low156 Ų15698.4 Ų98.459%0.58947%0.471SS*.  trans-87.177.4-176.2-166.8140.884.51757.1111L110 F111L110-R114 VanDerWaalsContact O-CB 3.24Å; L110-R114 WeakPolarHBondContact O-CB 3.32Å; L110-R114 PolarHBondContact O-N 2.78Å; F111-R114 PolarHBondContact O-N 3.27Å
115E44.2Very low48Very low87 Ų8794.9 Ų94.941%0.40745%0.452SS..  trans-63134.5171.4-153.9147.9-163.500109.4L113 H117 R229L113-E115 PolarHBondContact O-N 3.08Å; E115-H117 PolarHBondContact O-CD2 2.92Å; E115-H117 PolarHBondContact O-N 3.01Å; E115-R229 IonicContact OE1-NH1 2.99Å; E115-R229 PolarHBondContact OE1-NH1 3Å; E115-R229 IonicContact OE2-NH1 3.99Å
116Q46.4Very low48.9Very low154 Ų15490 Ų9072%0.7242%0.423SS*.  trans-68.6102.5-180-79.4-173.4-32.800109.5V85V85-Q116 HydrophobicContact CG1-CB 3.94Å; V85-Q116 HydrophobicContact CG1-CG 4.12Å
117H49.9Very low49.8Very low110 Ų11086.2 Ų86.251%0.50941%0.411SS..  trans-95.9145.1177.8-65.7-70000112E115 E119E115-H117 PolarHBondContact O-CD2 2.92Å; E115-H117 PolarHBondContact O-N 3.01Å; H117-E119 WeakPolarHBondContact CB-O 3.47Å; H117-E119 PolarHBondContact O-N 2.91Å
118N51.7Low50.9Low104 Ų10484.5 Ų84.556%0.55640%0.398SS*.SBendtrans-68.8-16.5170.8-65.5-21.4000112.5F86F86-N118 WeakPolarHBondContact CE1-O 3.22Å
119E54.9Low51.9Low103 Ų10385.7 Ų85.748%0.48141%0.408SS..EExtended strand (participates in β ladder)trans-128.2124.7172.3-58.4-165.8150.100108.3K79 W81 H117K79-E119 VanDerWaalsContact CE-CD 3.41Å; K79-E119 WeakPolarHBondContact CE-OE1 3.47Å; K79-E119 WeakPolarHBondContact CE-OE2 3.34Å; K79-E119 IonicContact NZ-OE1 3.91Å; K79-E119 PolarHBondContact NZ-OE1 3.41Å; K79-E119 IonicContact NZ-OE2 2.82Å; K79-E119 PolarHBondContact NZ-OE2 3.24Å; W81-E119 HydrophobicContact CB-CG 4.42Å; H117-E119 WeakPolarHBondContact CB-O 3.47Å; H117-E119 PolarHBondContact O-N 2.91Å
120T62.8Low53.5Low33 Ų3388.5 Ų88.520%0.20242%0.42CS..EExtended strand (participates in β ladder)trans-115.7128.9173.660.80000109.1V80 F86 V88V80-T120 PolarHBondContact N-O 3.45Å; V80-T120 VanDerWaalsContact N-O 3.09Å; V80-T120 PolarHBondContact O-N 2.85Å; V80-T120 VanDerWaalsContact O-N 3.13Å; F86-T120 HydrophobicContact CE2-CG2 4Å; F86-T120 WeakPolarHBondContact CE2-OG1 3.33Å; F86-T120 HydrophobicContact CZ-CG2 3.8Å; F86-T120 VanDerWaalsContact CZ-OG1 3.28Å; F86-T120 WeakPolarHBondContact CZ-OG1 3.33Å; V88-T120 HydrophobicContact CG2-CG2 4.28Å; V88-T120 WeakPolarHBondContact CG2-OG1 3.28Å
121V63.5Low54.9Low73 Ų7385 Ų8544%0.44240%0.402SS..EExtended strand (participates in β ladder)trans-102.8113.6176178.60000107.9Y77Y77-V121 HydrophobicContact CD2-CG1 3.62Å; Y77-V121 HydrophobicContact CE2-CG1 4.5Å; Y77-V121 HydrophobicContact CG-CG1 3.77Å
122I67.6Low56.5Low16 Ų1678.7 Ų78.78%0.08238%0.378CS..EExtended strand (participates in β ladder)trans-91.9117.7175.5-58.6167.2000107.4Y77 V78 V80 V88 T90 F133Y77-I122 CarbonylContact C-O 3.49Å; Y77-I122 WeakPolarHBondContact CA-O 3.16Å; Y77-I122 WeakPolarHBondContact CB-O 3.31Å; V78-I122 HydrophobicContact CB-CB 4.33Å; V78-I122 PolarHBondContact N-O 3.06Å; V78-I122 PolarHBondContact O-N 2.86Å; V80-I122 HydrophobicContact CG2-CD1 4.26Å; V88-I122 HydrophobicContact CG1-CD1 3.47Å; V88-I122 VanDerWaalsContact CG1-CD1 3.47Å; V88-I122 HydrophobicContact CG1-CG1 3.9Å; T90-I122 HydrophobicContact CG2-CB 4.14Å; T90-I122 HydrophobicContact CG2-CD1 3.9Å; T90-I122 HydrophobicContact CG2-CG1 3.7Å; T90-I122 HydrophobicContact CG2-CG2 3.45Å; T90-I122 VanDerWaalsContact CG2-CG2 3.45Å; I122-F133 HydrophobicContact CD1-CB 4.37Å; I122-F133 HydrophobicContact CD1-CD1 4.25Å; I122-F133 HydrophobicContact CD1-CD2 3.47Å; I122-F133 VanDerWaalsContact CD1-CD2 3.47Å; I122-F133 HydrophobicContact CD1-CE1 4.44Å; I122-F133 HydrophobicContact CD1-CE2 3.7Å; I122-F133 HydrophobicContact CD1-CG 3.77Å; I122-F133 HydrophobicContact CD1-CZ 4.19Å
123N60.6Low58.2Low84 Ų8473.2 Ų73.245%0.44935%0.354SS..EExtended strand (participates in β ladder)trans-82.3127.6174.8-59.1-55.8000109.4R75R75-N123 VanDerWaalsContact CZ-OD1 3.23Å; R75-N123 PolarHBondContact NE-OD1 3.37Å; R75-N123 VanDerWaalsContact NH2-CG 3.3Å; R75-N123 PolarHBondContact NH2-ND2 2.79Å; R75-N123 PolarHBondContact NH2-OD1 3.34Å
124I65.5Low59.7Low2 Ų273.4 Ų73.41%0.0135%0.351CS..EExtended strand (participates in β ladder)trans-99.5130.2174.9-67.6176.5000107.8Y61 I76 V78 T131 Q289Y61-I124 HydrophobicContact CD1-CD1 3.59Å; Y61-I124 HydrophobicContact CD1-CG2 4.01Å; Y61-I124 HydrophobicContact CD2-CD1 4.29Å; Y61-I124 HydrophobicContact CE1-CD1 4.3Å; Y61-I124 HydrophobicContact CE1-CG2 4.34Å; Y61-I124 HydrophobicContact CG-CD1 3.57Å; I76-I124 HydrophobicContact CB-CB 4.24Å; I76-I124 HydrophobicContact CG2-CB 4.02Å; I76-I124 HydrophobicContact CG2-CD1 4.19Å; I76-I124 HydrophobicContact CG2-CG2 4.31Å; I76-I124 PolarHBondContact O-N 3.24Å; V78-I124 HydrophobicContact CG2-CD1 3.41Å; V78-I124 VanDerWaalsContact CG2-CD1 3.41Å; V78-I124 HydrophobicContact CG2-CG1 4.25Å; I124-T131 WeakPolarHBondContact CD1-OG1 3.19Å; I124-T131 WeakPolarHBondContact CG1-OG1 3.16Å; I124-T131 HydrophobicContact CG2-CG2 3.84Å; I124-T131 WeakPolarHBondContact CG2-OG1 3.38Å; I124-Q289 PolarHBondContact O-NE2 3.16Å
125N60.5Low61.2Low57 Ų5766 Ų6631%0.30532%0.323SS..PPolyproline II helixtrans-70.6130173.2-170-6.7000109.9F127 C128N125-F127 PolarHBondContact O-N 3.46Å; N125-F127 VanDerWaalsContact O-N 3.17Å; N125-C128 HydrophobicContact CB-CB 4.33Å; N125-C128 PolarHBondContact O-N 2.92Å
126L57.8Low62.4Low7 Ų763.4 Ų63.44%0.03731%0.312CS..THydrogen-bonded Turntrans-63.2-24.6-174.4-83.382.6000113.2N63 T74 I76 Q289N63-L126 PolarHBondContact ND2-O 3.49Å; T74-L126 VanDerWaalsContact O-CD1 3.32Å; T74-L126 WeakPolarHBondContact O-CD1 3.42Å; I76-L126 HydrophobicContact CD1-CG 4.14Å; I76-L126 HydrophobicContact CG1-CG 4.43Å; L126-Q289 HydrophobicContact CD1-CB 4.44Å; L126-Q289 HydrophobicContact CD1-CG 3.91Å; L126-Q289 VanDerWaalsContact CD1-NE2 3.32Å
127F54.8Low63.3Low92 Ų9256.9 Ų56.940%0.40428%0.283SS..THydrogen-bonded Turntrans-92-14-179-82.4-98.1000114.3P67 N125 K129 I290P67-F127 HydrophobicContact CG-CE1 4.27Å; P67-F127 HydrophobicContact CG-CE2 4.1Å; P67-F127 HydrophobicContact CG-CZ 3.77Å; N125-F127 PolarHBondContact O-N 3.46Å; N125-F127 VanDerWaalsContact O-N 3.17Å; F127-K129 PolarHBondContact O-N 3.07Å; F127-K129 VanDerWaalsContact O-N 3.11Å; F127-I290 HydrophobicContact CD2-CG1 4.27Å; F127-I290 HydrophobicContact CD2-CG2 3.94Å; F127-I290 HydrophobicContact CE2-CB 3.9Å; F127-I290 HydrophobicContact CE2-CD1 3.79Å; F127-I290 HydrophobicContact CE2-CG1 3.63Å; F127-I290 HydrophobicContact CE2-CG2 3.13Å; F127-I290 HydrophobicContact CZ-CD1 4.49Å; F127-I290 HydrophobicContact CZ-CG2 3.6Å
128C57.8Low64Low32 Ų3255.4 Ų55.422%0.21628%0.282CS..  trans-72.4109.2174.3-72.20000108.3E92 N125 K130 T131E92-C128 PolarHBondContact OE1-SG 2.95Å; N125-C128 HydrophobicContact CB-CB 4.33Å; N125-C128 PolarHBondContact O-N 2.92Å; C128-K130 PolarHBondContact O-N 3.44Å; C128-K130 VanDerWaalsContact O-N 3.16Å; C128-T131 HydrophobicContact CB-CG2 3.54Å
129K60.3Low64.4Low178 Ų17854.7 Ų54.777%0.77429%0.29SS*.SBendtrans-57.2-30.6178.9-67.8-177.7179.21780112K62 N63 F127K62-K129 WeakPolarHBondContact CA-O 3.4Å; N63-K129 PolarHBondContact N-O 3.04Å; N63-K129 VanDerWaalsContact N-O 3.13Å; F127-K129 PolarHBondContact O-N 3.07Å; F127-K129 VanDerWaalsContact O-N 3.11Å
130K66.9Low64.7Low126 Ų12652 Ų5255%0.54829%0.29SS..EExtended strand (participates in β ladder)trans-141.4128176.7-57.1-172.6-177.9171.20109.4Y61 K62 C128Y61-K130 WeakPolarHBondContact O-CA 3.43Å; K62-K130 HydrophobicContact CG-CG 4.21Å; C128-K130 PolarHBondContact O-N 3.44Å; C128-K130 VanDerWaalsContact O-N 3.16Å
131T69.4Low65Low13 Ų1350.8 Ų50.88%0.0828%0.284CS..EExtended strand (participates in β ladder)trans-121.8121.3168.352.30000108.8C60 Y61 I124 C128C60-T131 WeakPolarHBondContact CA-O 3.46Å; Y61-T131 PolarHBondContact N-O 3.28Å; Y61-T131 PolarHBondContact O-N 3.35Å; I124-T131 WeakPolarHBondContact CD1-OG1 3.19Å; I124-T131 WeakPolarHBondContact CG1-OG1 3.16Å; I124-T131 HydrophobicContact CG2-CG2 3.84Å; I124-T131 WeakPolarHBondContact CG2-OG1 3.38Å; C128-T131 HydrophobicContact CB-CG2 3.54Å
132C72.9Confident65.5Low28 Ų2852.4 Ų52.419%0.18929%0.286CS..EExtended strand (participates in β ladder)trans-108.5145-179.4-60.70000110.3F59 C60 V91F59-C132 CarbonylContact O-C 3.54Å; F59-C132 WeakPolarHBondContact O-CA 3.33Å; C60-C132 HydrophobicContact CB-CB 4.21Å; C60-C132 WeakPolarHBondContact CB-SG 3.34Å; C60-C132 WeakPolarHBondContact SG-CB 3.34Å; C60-C132 CovalentContact SG-SG 2.05Å; C60-C132 PolarHBondContact SG-SG 3.01Å; V91-C132 CarbonylContact C-O 3.5Å; V91-C132 PolarHBondContact N-O 2.92Å
133F73.9Confident65.8Low7 Ų751.7 Ų51.73%0.03128%0.283CS..EExtended strand (participates in β ladder)trans-146.5149.8176.661.2-87.1000110.2L45 F59 V78 V80 T90 I122 V135 V145L45-F133 HydrophobicContact CD1-CE1 3.66Å; L45-F133 HydrophobicContact CD1-CZ 3.57Å; F59-F133 HydrophobicContact CB-CD1 4.28Å; F59-F133 HydrophobicContact CB-CD2 4.33Å; F59-F133 HydrophobicContact CB-CE1 3.76Å; F59-F133 HydrophobicContact CB-CE2 3.83Å; F59-F133 HydrophobicContact CB-CZ 3.51Å; F59-F133 HydrophobicContact CD2-CD2 4.22Å; F59-F133 AromaticContact CD2-CE2 3.62Å; F59-F133 HydrophobicContact CD2-CE2 3.62Å; F59-F133 HydrophobicContact CD2-CZ 4.06Å; F59-F133 AromaticContact CG-CE2 4Å; F59-F133 HydrophobicContact CG-CE2 4Å; F59-F133 AromaticContact CG-CZ 3.95Å; F59-F133 HydrophobicContact CG-CZ 3.95Å; F59-F133 PolarHBondContact N-O 3.14Å; F59-F133 PolarHBondContact O-N 3.36Å; V78-F133 HydrophobicContact CB-CE1 4.43Å; V78-F133 HydrophobicContact CB-CZ 4.26Å; V78-F133 HydrophobicContact CG1-CE1 4.39Å; V78-F133 HydrophobicContact CG1-CZ 3.8Å; V78-F133 HydrophobicContact CG2-CE1 4.03Å; V78-F133 HydrophobicContact CG2-CZ 4.28Å; V80-F133 HydrophobicContact CG2-CE2 4.44Å; T90-F133 HydrophobicContact CG2-CB 4.31Å; I122-F133 HydrophobicContact CD1-CB 4.37Å; I122-F133 HydrophobicContact CD1-CD1 4.25Å; I122-F133 HydrophobicContact CD1-CD2 3.47Å; I122-F133 VanDerWaalsContact CD1-CD2 3.47Å; I122-F133 HydrophobicContact CD1-CE1 4.44Å; I122-F133 HydrophobicContact CD1-CE2 3.7Å; I122-F133 HydrophobicContact CD1-CG 3.77Å; I122-F133 HydrophobicContact CD1-CZ 4.19Å; F133-V135 HydrophobicContact CD2-CG2 3.62Å; F133-V135 HydrophobicContact CE2-CG2 3.57Å; F133-V145 HydrophobicContact CZ-CG1 4.08Å
134K71.5Confident66.7Low79 Ų7948.8 Ų48.834%0.34327%0.268SS..EExtended strand (participates in β ladder)trans-106.9125.3177.9-169.3-173.8-178.8-1380108.6R58 Q89 D136R58-K134 HydrophobicContact CG-CG 4.46Å; Q89-K134 PolarHBondContact N-O 3.38Å; Q89-K134 PolarHBondContact O-N 2.84Å; Q89-K134 VanDerWaalsContact O-O 3.13Å; K134-D136 WeakPolarHBondContact CE-OD1 3.07Å; K134-D136 WeakPolarHBondContact CE-OD2 3.22Å; K134-D136 VanDerWaalsContact NZ-CG 3.28Å; K134-D136 IonicContact NZ-OD1 2.68Å; K134-D136 PolarHBondContact NZ-OD1 3.46Å; K134-D136 IonicContact NZ-OD2 3.32Å; K134-D136 PolarHBondContact NZ-OD2 3.16Å
135V72Confident67.4Low0 Ų048.7 Ų48.70%027%0.268CS..EExtended strand (participates in β ladder)trans-104.9116.9173.2-176.50000107.6P56 N57 F59 V80 F86 F133 P137 Y143P56-V135 WeakPolarHBondContact CA-O 3.45Å; N57-V135 PolarHBondContact N-O 3.35Å; N57-V135 PolarHBondContact O-N 3.31Å; F59-V135 HydrophobicContact CD2-CG2 3.97Å; F59-V135 HydrophobicContact CE2-CB 4.21Å; F59-V135 HydrophobicContact CE2-CG2 3.95Å; V80-V135 HydrophobicContact CG1-CG1 4.33Å; F86-V135 HydrophobicContact CD2-CG1 4.16Å; F133-V135 HydrophobicContact CD2-CG2 3.62Å; F133-V135 HydrophobicContact CE2-CG2 3.57Å; V135-P137 WeakPolarHBondContact O-CD 3.22Å; V135-Y143 HydrophobicContact CB-CE2 4.03Å; V135-Y143 HydrophobicContact CG1-CD2 3.95Å; V135-Y143 HydrophobicContact CG1-CE1 4.47Å; V135-Y143 HydrophobicContact CG1-CE2 3.81Å; V135-Y143 HydrophobicContact CG1-CG 4.33Å; V135-Y143 HydrophobicContact CG2-CE2 4.45Å
136D69Low68.4Low33 Ų3348.6 Ų48.618%0.17627%0.265CS..EExtended strand (participates in β ladder)trans-109.999.3174.7-71.8-35.4000108.8P56 K87 K134P56-D136 WeakPolarHBondContact CB-OD1 3.38Å; K87-D136 PolarHBondContact N-O 3.4Å; K87-D136 PolarHBondContact O-N 2.92Å; K134-D136 WeakPolarHBondContact CE-OD1 3.07Å; K134-D136 WeakPolarHBondContact CE-OD2 3.22Å; K134-D136 VanDerWaalsContact NZ-CG 3.28Å; K134-D136 IonicContact NZ-OD1 2.68Å; K134-D136 PolarHBondContact NZ-OD1 3.46Å; K134-D136 IonicContact NZ-OD2 3.32Å; K134-D136 PolarHBondContact NZ-OD2 3.16Å
137P66.9Low69.4Low17 Ų1748.3 Ų48.311%0.1126%0.263CS..EExtended strand (participates in β ladder)trans-74.5136.5177.329.8-33.9000111.4F86 V135 A139 Y143F86-P137 HydrophobicContact CB-CB 4.49Å; V135-P137 WeakPolarHBondContact O-CD 3.22Å; P137-A139 PolarHBondContact O-N 3.43Å; P137-Y143 HydrophobicContact CB-CD1 4.08Å; P137-Y143 HydrophobicContact CB-CE1 4.41Å; P137-Y143 HydrophobicContact CG-CD1 4.01Å; P137-Y143 HydrophobicContact CG-CE1 3.85Å
138T63.7Low70.6Confident80 Ų8045.9 Ų45.949%0.49125%0.254SS..G310 helixtrans-72.1130.2173.7-43.70000109.3V85 G140V85-T138 WeakPolarHBondContact O-CB 3.48Å; V85-T138 PolarHBondContact O-OG1 3.3Å; T138-G140 VanDerWaalsContact C-N 3.33Å; T138-G140 PolarHBondContact O-N 2.85Å
139A60.7Low71.6Confident88 Ų8847.8 Ų47.873%0.72726%0.256SS*.G310 helixtrans59.931.7175.700000115.8P137 A141P137-A139 PolarHBondContact O-N 3.43Å; A139-A141 VanDerWaalsContact C-N 3.29Å; A139-A141 PolarHBondContact O-N 3.46Å
140G61.3Low72.6Confident46 Ų4645.9 Ų45.947%0.47425%0.248SC..G310 helixtrans6921.8171.100000115.2T138T138-G140 VanDerWaalsContact C-N 3.33Å; T138-G140 PolarHBondContact O-N 2.85Å
141A67.3Low73.2Confident9 Ų944.5 Ų44.57%0.07424%0.243CC..  trans-62.6147.617900000112.7K84 A139K84-A141 HydrophobicContact CB-CB 3.91Å; K84-A141 HydrophobicContact CD-CB 4.2Å; K84-A141 HydrophobicContact CG-CB 4.28Å; A139-A141 VanDerWaalsContact C-N 3.29Å; A139-A141 PolarHBondContact O-N 3.46Å
142Q74.7Confident73.7Confident106 Ų10644.9 Ų44.950%0.49524%0.244SC..EExtended strand (participates in β ladder)trans-69.5133.9169.4-71.2-176.46.300109.7L52 L54 S82L52-Q142 HydrophobicContact CD1-CB 4.36Å; L54-Q142 HydrophobicContact CD1-CG 4.49Å; L54-Q142 HydrophobicContact CD2-CB 4.5Å; L54-Q142 HydrophobicContact CD2-CG 3.35Å; L54-Q142 HydrophobicContact CG-CG 3.81Å; S82-Q142 PolarHBondContact OG-O 2.93Å
143Y74.8Confident74.2Confident1 Ų148.1 Ų48.10%0.00426%0.258CS..EExtended strand (participates in β ladder)trans-131.7149.2173.263-81.9000109.9M53 G55 N57 F59 V80 W81 V135 P137 V145M53-Y143 HydrophobicContact CB-CE1 4.01Å; M53-Y143 HydrophobicContact CB-CE2 3.87Å; M53-Y143 PolarHBondContact N-O 3.38Å; M53-Y143 WeakPolarHBondContact O-CD1 3.46Å; M53-Y143 PolarHBondContact O-N 2.92Å; M53-Y143 VanDerWaalsContact O-N 3.14Å; G55-Y143 WeakPolarHBondContact O-CE1 3.44Å; G55-Y143 PolarHBondContact O-OH 3.07Å; N57-Y143 WeakPolarHBondContact CB-OH 3.17Å; N57-Y143 PolarHBondContact ND2-OH 2.91Å; F59-Y143 AromaticContact CE2-CE2 3.66Å; F59-Y143 HydrophobicContact CE2-CE2 3.66Å; F59-Y143 AromaticContact CZ-CE2 3.71Å; F59-Y143 HydrophobicContact CZ-CE2 3.71Å; V80-Y143 HydrophobicContact CG1-CD2 4.03Å; W81-Y143 WeakPolarHBondContact O-CA 3.42Å; V135-Y143 HydrophobicContact CB-CE2 4.03Å; V135-Y143 HydrophobicContact CG1-CD2 3.95Å; V135-Y143 HydrophobicContact CG1-CE1 4.47Å; V135-Y143 HydrophobicContact CG1-CE2 3.81Å; V135-Y143 HydrophobicContact CG1-CG 4.33Å; V135-Y143 HydrophobicContact CG2-CE2 4.45Å; P137-Y143 HydrophobicContact CB-CD1 4.08Å; P137-Y143 HydrophobicContact CB-CE1 4.41Å; P137-Y143 HydrophobicContact CG-CD1 4.01Å; P137-Y143 HydrophobicContact CG-CE1 3.85Å; Y143-V145 HydrophobicContact CD2-CG2 3.62Å; Y143-V145 HydrophobicContact CE2-CG2 3.6Å
144T78.8Confident74.5Confident23 Ų2356 Ų5614%0.14129%0.289CS..EExtended strand (participates in β ladder)trans-109.1136.9174.9-48.80000109.3Q50 Y51 V80 W81Q50-T144 HydrophobicContact CB-CG2 4.45Å; Y51-T144 WeakPolarHBondContact O-CA 3.44Å; V80-T144 WeakPolarHBondContact CA-O 3.32Å; W81-T144 HydrophobicContact CH2-CG2 4.01Å; W81-T144 HydrophobicContact CZ2-CG2 3.37Å; W81-T144 PolarHBondContact N-O 2.82Å; W81-T144 VanDerWaalsContact N-O 3.09Å; W81-T144 VanDerWaalsContact NE1-CB 3.26Å; W81-T144 PolarHBondContact NE1-OG1 2.94Å; W81-T144 PolarHBondContact O-N 3.33Å
145V80.1Confident74.9Confident0 Ų054 Ų540%028%0.282CS..EExtended strand (participates in β ladder)trans-115.6122.4176.2-175.80000107.9L45 Y51 F59 V78 V80 F133 Y143L45-V145 HydrophobicContact CD1-CG1 3.94Å; L45-V145 HydrophobicContact CD2-CG1 3.9Å; Y51-V145 PolarHBondContact N-O 3.43Å; Y51-V145 PolarHBondContact O-N 3.35Å; F59-V145 HydrophobicContact CE1-CG2 4.24Å; F59-V145 HydrophobicContact CE2-CG2 3.95Å; F59-V145 HydrophobicContact CZ-CG2 3.79Å; V78-V145 HydrophobicContact CG1-CG1 3.34Å; V80-V145 HydrophobicContact CG1-CG2 4.33Å; V80-V145 HydrophobicContact CG2-CG1 4.34Å; V80-V145 HydrophobicContact CG2-CG2 4.24Å; F133-V145 HydrophobicContact CZ-CG1 4.08Å; Y143-V145 HydrophobicContact CD2-CG2 3.62Å; Y143-V145 HydrophobicContact CE2-CG2 3.6Å
146K81.8Confident75.6Confident56 Ų5657.2 Ų57.224%0.24330%0.296CS..EExtended strand (participates in β ladder)trans-130.1113.6173.7-169.9178.2-171.4164.90110.8Q50 K79 W81 I148Q50-K146 HydrophobicContact CG-CB 4.28Å; Q50-K146 HydrophobicContact CG-CD 3.78Å; Q50-K146 HydrophobicContact CG-CG 4.01Å; K79-K146 PolarHBondContact N-O 3.45Å; K79-K146 PolarHBondContact O-N 3.37Å; W81-K146 HydrophobicContact CH2-CB 3.61Å; W81-K146 HydrophobicContact CH2-CD 4.1Å; W81-K146 HydrophobicContact CH2-CG 4.49Å; W81-K146 HydrophobicContact CZ3-CB 3.72Å; K146-I148 HydrophobicContact CB-CG1 4.49Å; K146-I148 HydrophobicContact CD-CD1 4.1Å; K146-I148 HydrophobicContact CD-CG1 4Å; K146-I148 HydrophobicContact CG-CD1 4.4Å; K146-I148 HydrophobicContact CG-CG1 3.89Å
147P79.8Confident76.3Confident0 Ų059.9 Ų59.90%031%0.31CS..EExtended strand (participates in β ladder)trans-72.3126.6165.230.7-33.4000109.9L45 Q46 G48 E49 Y61 V78L45-P147 HydrophobicContact CB-CG 4.33Å; Q46-P147 WeakPolarHBondContact O-CG 3.19Å; G48-P147 PolarHBondContact N-O 2.89Å; E49-P147 WeakPolarHBondContact O-CD 3.28Å; Y61-P147 HydrophobicContact CD2-CB 4.08Å; Y61-P147 HydrophobicContact CE2-CB 3.91Å; V78-P147 HydrophobicContact CG2-CB 4.38Å
148I79.1Confident77.3Confident42 Ų4261.5 Ų61.522%0.21532%0.319CS..EExtended strand (participates in β ladder)trans-124.4128.9179.5-54.1178.4000108.3Y77 K79 K146 K150Y77-I148 HydrophobicContact CD2-CB 4.46Å; Y77-I148 HydrophobicContact CE1-CB 4.44Å; Y77-I148 HydrophobicContact CE1-CG2 4.43Å; Y77-I148 HydrophobicContact CE2-CB 3.95Å; Y77-I148 HydrophobicContact CE2-CD1 4.03Å; Y77-I148 HydrophobicContact CE2-CG1 4.39Å; Y77-I148 HydrophobicContact CE2-CG2 4.47Å; Y77-I148 PolarHBondContact N-O 3.28Å; Y77-I148 PolarHBondContact O-N 2.92Å; K79-I148 HydrophobicContact CB-CD1 4.37Å; K146-I148 HydrophobicContact CB-CG1 4.49Å; K146-I148 HydrophobicContact CD-CD1 4.1Å; K146-I148 HydrophobicContact CD-CG1 4Å; K146-I148 HydrophobicContact CG-CD1 4.4Å; K146-I148 HydrophobicContact CG-CG1 3.89Å; I148-K150 HydrophobicContact CG2-CB 4.4Å
149R78.8Confident78.5Confident71 Ų7159.2 Ų59.227%0.26830%0.303SS..EExtended strand (participates in β ladder)trans-106112.9171-173179.6-61.6-152.3-3.4108.1D47 Y61 N63 I76D47-R149 IonicContact OD2-CZ 2.88Å; D47-R149 VanDerWaalsContact OD2-CZ 3.23Å; D47-R149 IonicContact OD2-NE 2.95Å; D47-R149 PolarHBondContact OD2-NE 2.87Å; D47-R149 IonicContact OD2-NH2 2.98Å; D47-R149 PolarHBondContact OD2-NH2 3.05Å; Y61-R149 PolarHBondContact OH-NH2 3.36Å; Y61-R149 VanDerWaalsContact OH-NH2 3.1Å; N63-R149 PolarHBondContact OD1-NH2 3.23Å; I76-R149 HydrophobicContact CG1-CG 4.22Å
150K81.4Confident79.9Confident138 Ų13858.4 Ų58.460%0.629%0.285SS*.EExtended strand (participates in β ladder)trans-136.3148.3-179.3-143.3179.3-177.4-176.70110.8R75 Y77 I148 D152R75-K150 PolarHBondContact N-O 3.42Å; R75-K150 PolarHBondContact O-N 2.62Å; R75-K150 VanDerWaalsContact O-N 3.15Å; Y77-K150 HydrophobicContact CE1-CB 4.42Å; I148-K150 HydrophobicContact CG2-CB 4.4Å; K150-D152 PolarHBondContact O-N 2.86Å
151F79.4Confident81.3Confident98 Ų9858.6 Ų58.643%0.4328%0.28SS..EExtended strand (participates in β ladder)trans-68.4123.3170.6-173.3-93.7000109.1W73 I153 F156W73-F151 HydrophobicContact CB-CD2 4.21Å; W73-F151 HydrophobicContact CB-CE2 3.64Å; W73-F151 HydrophobicContact CB-CZ 3.95Å; W73-F151 HydrophobicContact CE3-CE2 4.29Å; W73-F151 HydrophobicContact CG-CE2 4.44Å; F151-I153 HydrophobicContact CE1-CG1 4.48Å; F151-I153 PolarHBondContact O-N 3.39Å; F151-F156 HydrophobicContact CE1-CB 3.97Å; F151-F156 HydrophobicContact CE1-CG 4.32Å; F151-F156 HydrophobicContact CZ-CB 3.83Å; F151-F156 HydrophobicContact CZ-CD2 4.22Å; F151-F156 AromaticContact CZ-CG 3.97Å; F151-F156 HydrophobicContact CZ-CG 3.97Å
152D79.4Confident82.4Confident20 Ų2058.2 Ų58.211%0.10728%0.276CS..  trans-90.798.3178.4-164.8-28.7000108.9W73 R75 K150 Y154 L155 F156W73-D152 PolarHBondContact O-N 3.15Å; R75-D152 HydrophobicContact CB-CB 3.98Å; R75-D152 WeakPolarHBondContact CD-OD2 3.27Å; R75-D152 IonicContact CZ-OD2 3.24Å; R75-D152 IonicContact NE-OD2 2.68Å; R75-D152 IonicContact NH1-OD2 2.97Å; R75-D152 PolarHBondContact NH1-OD2 3.14Å; K150-D152 PolarHBondContact O-N 2.86Å; D152-Y154 PolarHBondContact O-N 3.35Å; D152-Y154 WeakPolarHBondContact OD1-CB 3.22Å; D152-Y154 PolarHBondContact OD1-N 3.31Å; D152-Y154 VanDerWaalsContact OD1-N 3.1Å; D152-L155 HydrophobicContact CB-CB 4.18Å; D152-L155 HydrophobicContact CB-CD1 3.89Å; D152-L155 HydrophobicContact CB-CG 4.12Å; D152-L155 PolarHBondContact O-N 3.43Å; D152-L155 PolarHBondContact OD1-N 3.45Å; D152-F156 PolarHBondContact O-N 3.01Å
153I83.6Confident83.2Confident96 Ų9654.5 Ų54.549%0.49226%0.264SS..Hα-helixtrans-62.7-28.1-178.2-150.6163.4000111.6F151 F156 L157F151-I153 HydrophobicContact CE1-CG1 4.48Å; F151-I153 PolarHBondContact O-N 3.39Å; I153-F156 PolarHBondContact O-N 3.39Å; I153-L157 WeakPolarHBondContact O-CB 3.4Å; I153-L157 VanDerWaalsContact O-CG 3.24Å; I153-L157 WeakPolarHBondContact O-CG 3.02Å; I153-L157 PolarHBondContact O-N 3.42Å
154Y80.3Confident84Confident174 Ų17458.4 Ų58.468%0.68228%0.284SS*.Hα-helixtrans-73-42.1-179-62.3-75.8000111.3D152 F156 L157 V158D152-Y154 PolarHBondContact O-N 3.35Å; D152-Y154 WeakPolarHBondContact OD1-CB 3.22Å; D152-Y154 PolarHBondContact OD1-N 3.31Å; D152-Y154 VanDerWaalsContact OD1-N 3.1Å; Y154-F156 VanDerWaalsContact C-N 3.28Å; Y154-F156 PolarHBondContact O-N 3.4Å; Y154-L157 PolarHBondContact O-N 2.64Å; Y154-V158 VanDerWaalsContact O-CG2 3.29Å; Y154-V158 WeakPolarHBondContact O-CG2 3.42Å; Y154-V158 PolarHBondContact O-N 3.36Å
155L80.5Confident84.6Confident35 Ų3559 Ų5918%0.18329%0.286CS..Hα-helixtrans-60.5-41.4174-73.1176.1000111.3D152 V158 F159D152-L155 HydrophobicContact CB-CB 4.18Å; D152-L155 HydrophobicContact CB-CD1 3.89Å; D152-L155 HydrophobicContact CB-CG 4.12Å; D152-L155 PolarHBondContact O-N 3.43Å; D152-L155 PolarHBondContact OD1-N 3.45Å; L155-V158 PolarHBondContact O-N 2.86Å; L155-F159 WeakPolarHBondContact O-CB 3.36Å; L155-F159 PolarHBondContact O-N 3.07Å
156F85.3Confident85.2Confident68 Ų6859.3 Ų59.330%0.29829%0.288SS..Hα-helixtrans-62.8-44.8174.3178.2-103.3000112.6W73 F151 D152 I153 Y154 V158 F159 L160W73-F156 HydrophobicContact CB-CB 4.4Å; W73-F156 AromaticContact CD2-CD2 3.85Å; W73-F156 HydrophobicContact CD2-CD2 3.85Å; W73-F156 AromaticContact CE2-CD2 3.83Å; W73-F156 HydrophobicContact CE3-CD2 4.21Å; W73-F156 HydrophobicContact CG-CB 4.11Å; W73-F156 HydrophobicContact CG-CD2 4.22Å; W73-F156 HydrophobicContact CZ2-CD2 4.19Å; W73-F156 HydrophobicContact CZ2-CE2 4.45Å; F151-F156 HydrophobicContact CE1-CB 3.97Å; F151-F156 HydrophobicContact CE1-CG 4.32Å; F151-F156 HydrophobicContact CZ-CB 3.83Å; F151-F156 HydrophobicContact CZ-CD2 4.22Å; F151-F156 AromaticContact CZ-CG 3.97Å; F151-F156 HydrophobicContact CZ-CG 3.97Å; D152-F156 PolarHBondContact O-N 3.01Å; I153-F156 PolarHBondContact O-N 3.39Å; Y154-F156 VanDerWaalsContact C-N 3.28Å; Y154-F156 PolarHBondContact O-N 3.4Å; F156-V158 PolarHBondContact O-N 2.88Å; F156-F159 PolarHBondContact O-N 3.49Å; F156-L160 HydrophobicContact CE1-CD2 4.39Å; F156-L160 WeakPolarHBondContact O-CB 3.2Å; F156-L160 PolarHBondContact O-N 3Å
157L85.1Confident85.5Confident90 Ų9061.1 Ų61.147%0.47130%0.303SS..Hα-helixtrans-63.6-39.6176.9-72.9172.9000112.3I153 Y154 L160 S161I153-L157 WeakPolarHBondContact O-CB 3.4Å; I153-L157 VanDerWaalsContact O-CG 3.24Å; I153-L157 WeakPolarHBondContact O-CG 3.02Å; I153-L157 PolarHBondContact O-N 3.42Å; Y154-L157 PolarHBondContact O-N 2.64Å; L157-L160 PolarHBondContact O-N 2.77Å; L157-S161 WeakPolarHBondContact O-CB 3.36Å; L157-S161 PolarHBondContact O-N 3.44Å; L157-S161 PolarHBondContact O-OG 3.15Å
158V87.2Confident85.9Confident50 Ų5066 Ų6630%0.30333%0.325SS..Hα-helixtrans-62.3-47.9174.8170.70000110.3Y154 L155 F156 L160 S161 G162 L283Y154-V158 VanDerWaalsContact O-CG2 3.29Å; Y154-V158 WeakPolarHBondContact O-CG2 3.42Å; Y154-V158 PolarHBondContact O-N 3.36Å; L155-V158 PolarHBondContact O-N 2.86Å; F156-V158 PolarHBondContact O-N 2.88Å; V158-L160 PolarHBondContact O-N 2.97Å; V158-S161 PolarHBondContact O-N 2.88Å; V158-S161 PolarHBondContact O-OG 2.97Å; V158-G162 PolarHBondContact O-N 2.87Å; V158-L283 HydrophobicContact CG1-CB 4.48Å; V158-L283 HydrophobicContact CG1-CD2 4.26Å
159F88.5Confident86.4Confident33 Ų3364 Ų6415%0.14532%0.315CS..Hα-helixtrans-57.7-48.8174.8168.3-99.1000112.1W73 L155 F156 S161 G162 A163 I284 I288 I297W73-F159 HydrophobicContact CH2-CE1 4.45Å; W73-F159 AromaticContact CZ2-CD1 3.6Å; W73-F159 HydrophobicContact CZ2-CD1 3.6Å; W73-F159 AromaticContact CZ2-CE1 3.68Å; W73-F159 HydrophobicContact CZ2-CE1 3.68Å; W73-F159 HydrophobicContact CZ2-CG 4.14Å; W73-F159 HydrophobicContact CZ2-CZ 4.26Å; W73-F159 AromaticContact NE1-CD1 3.96Å; W73-F159 AromaticContact NE1-CG 3.8Å; L155-F159 WeakPolarHBondContact O-CB 3.36Å; L155-F159 PolarHBondContact O-N 3.07Å; F156-F159 PolarHBondContact O-N 3.49Å; F159-S161 VanDerWaalsContact C-N 3.33Å; F159-S161 PolarHBondContact O-N 3.04Å; F159-G162 PolarHBondContact O-N 3.18Å; F159-A163 WeakPolarHBondContact O-CB 3.3Å; F159-A163 PolarHBondContact O-N 3.41Å; F159-I284 HydrophobicContact CD2-CB 4.45Å; F159-I284 HydrophobicContact CD2-CG1 4.3Å; F159-I284 HydrophobicContact CD2-CG2 4.07Å; F159-I284 HydrophobicContact CE2-CG1 4.38Å; F159-I284 HydrophobicContact CE2-CG2 3.98Å; F159-I288 HydrophobicContact CD2-CD1 3.73Å; F159-I288 HydrophobicContact CD2-CG1 3.77Å; F159-I288 HydrophobicContact CE2-CD1 3.78Å; F159-I288 HydrophobicContact CE2-CG1 4.28Å; F159-I288 HydrophobicContact CG-CG1 4.5Å; F159-I297 HydrophobicContact CE2-CD1 4.35Å; F159-I297 HydrophobicContact CE2-CG2 4.23Å
160L90.4Very high86.9Confident70 Ų7065.1 Ų65.137%0.36632%0.323SS..Hα-helixtrans-60.6-43.9179-178.963.7000111.2F156 L157 V158 G162 A163 L164F156-L160 HydrophobicContact CE1-CD2 4.39Å; F156-L160 WeakPolarHBondContact O-CB 3.2Å; F156-L160 PolarHBondContact O-N 3Å; L157-L160 PolarHBondContact O-N 2.77Å; V158-L160 PolarHBondContact O-N 2.97Å; L160-G162 VanDerWaalsContact C-N 3.35Å; L160-G162 PolarHBondContact O-N 2.83Å; L160-A163 PolarHBondContact O-N 3.36Å; L160-L164 HydrophobicContact CD1-CD1 4.33Å; L160-L164 HydrophobicContact CD1-CG 4.36Å; L160-L164 HydrophobicContact CG-CD1 4.07Å; L160-L164 WeakPolarHBondContact O-CB 3.46Å; L160-L164 VanDerWaalsContact O-CG 3.27Å; L160-L164 WeakPolarHBondContact O-CG 3.36Å; L160-L164 PolarHBondContact O-N 3.31Å
161S90.1Very high87.2Confident51 Ų5162.3 Ų62.336%0.35732%0.32SS..Hα-helixtrans-62.6-40.8176.973.40000112L157 V158 F159 L165L157-S161 WeakPolarHBondContact O-CB 3.36Å; L157-S161 PolarHBondContact O-N 3.44Å; L157-S161 PolarHBondContact O-OG 3.15Å; V158-S161 PolarHBondContact O-N 2.88Å; V158-S161 PolarHBondContact O-OG 2.97Å; F159-S161 VanDerWaalsContact C-N 3.33Å; F159-S161 PolarHBondContact O-N 3.04Å; S161-L165 WeakPolarHBondContact O-CB 3.47Å; S161-L165 PolarHBondContact O-N 3.34Å
162G91.9Very high87.6Confident0 Ų060.1 Ų60.10%031%0.313CS..Hα-helixtrans-65.4-41.7175.800000112.9V158 F159 L160 L165 F166V158-G162 PolarHBondContact O-N 2.87Å; F159-G162 PolarHBondContact O-N 3.18Å; L160-G162 VanDerWaalsContact C-N 3.35Å; L160-G162 PolarHBondContact O-N 2.83Å; G162-L165 PolarHBondContact O-N 2.85Å; G162-F166 WeakPolarHBondContact O-CB 3.4Å; G162-F166 PolarHBondContact O-N 3.25Å
163A90.4Very high88.1Confident28 Ų2859.5 Ų59.523%0.23131%0.31CS..Hα-helixtrans-63.8-47.7175.900000112F159 L160 L165 F166 V167F159-A163 WeakPolarHBondContact O-CB 3.3Å; F159-A163 PolarHBondContact O-N 3.41Å; L160-A163 PolarHBondContact O-N 3.36Å; A163-L165 VanDerWaalsContact C-N 3.33Å; A163-L165 PolarHBondContact O-N 2.99Å; A163-F166 PolarHBondContact O-N 3.46Å; A163-V167 WeakPolarHBondContact O-CG2 3.31Å; A163-V167 PolarHBondContact O-N 3.26Å
164L91.9Very high88.4Confident84 Ų8463.5 Ų63.544%0.4432%0.319SS..Hα-helixtrans-60.5-44.1175.9-69.6170.8000111.1L160 F166 V167 F168L160-L164 HydrophobicContact CD1-CD1 4.33Å; L160-L164 HydrophobicContact CD1-CG 4.36Å; L160-L164 HydrophobicContact CG-CD1 4.07Å; L160-L164 WeakPolarHBondContact O-CB 3.46Å; L160-L164 VanDerWaalsContact O-CG 3.27Å; L160-L164 WeakPolarHBondContact O-CG 3.36Å; L160-L164 PolarHBondContact O-N 3.31Å; L164-F166 PolarHBondContact O-N 2.89Å; L164-V167 PolarHBondContact O-N 3.43Å; L164-F168 HydrophobicContact CB-CD2 4.36Å; L164-F168 HydrophobicContact CD2-CD2 4.31Å; L164-F168 HydrophobicContact CD2-CE2 3.81Å; L164-F168 WeakPolarHBondContact O-CB 3.3Å; L164-F168 WeakPolarHBondContact O-CD2 3.48Å; L164-F168 PolarHBondContact O-N 2.89Å
165L92.3Very high88.9Confident34 Ų3457.3 Ų57.318%0.17830%0.301CS..Hα-helixtrans-63.4-41.9179.3-163.8161000111.3S161 G162 A163 A169 L276 F279 L283S161-L165 WeakPolarHBondContact O-CB 3.47Å; S161-L165 PolarHBondContact O-N 3.34Å; G162-L165 PolarHBondContact O-N 2.85Å; A163-L165 VanDerWaalsContact C-N 3.33Å; A163-L165 PolarHBondContact O-N 2.99Å; L165-A169 WeakPolarHBondContact O-CA 3.4Å; L165-A169 VanDerWaalsContact O-CB 3.29Å; L165-A169 WeakPolarHBondContact O-CB 3.3Å; L165-A169 PolarHBondContact O-N 2.74Å; L165-L276 VanDerWaalsContact CD2-C 3.5Å; L165-L276 HydrophobicContact CD2-CB 3.82Å; L165-L276 HydrophobicContact CD2-CD2 4.09Å; L165-L276 WeakPolarHBondContact CD2-O 3.45Å; L165-F279 HydrophobicContact CD1-CD1 3.81Å; L165-F279 HydrophobicContact CD1-CE1 4.26Å; L165-L283 HydrophobicContact CD1-CD1 4.37Å
166F91.4Very high89.3Confident8 Ų861.6 Ų61.64%0.03532%0.32CS..Hα-helixtrans-62.8-43.6176.7-178.8-96.5000112.8G162 A163 L164 Q277 L281 K305G162-F166 WeakPolarHBondContact O-CB 3.4Å; G162-F166 PolarHBondContact O-N 3.25Å; A163-F166 PolarHBondContact O-N 3.46Å; L164-F166 PolarHBondContact O-N 2.89Å; F166-Q277 HydrophobicContact CD2-CB 4.01Å; F166-Q277 HydrophobicContact CD2-CG 4.2Å; F166-Q277 HydrophobicContact CE2-CB 4.1Å; F166-Q277 HydrophobicContact CE2-CG 4.29Å; F166-L281 HydrophobicContact CD2-CD2 3.81Å; F166-L281 HydrophobicContact CD2-CG 3.84Å; F166-L281 HydrophobicContact CE2-CD1 4.13Å; F166-L281 HydrophobicContact CE2-CD2 3.78Å; F166-L281 HydrophobicContact CE2-CG 3.9Å; F166-L281 HydrophobicContact CZ-CD2 4.45Å; F166-K305 HydrophobicContact CE1-CD 4Å; F166-K305 HydrophobicContact CE1-CG 3.96Å; F166-K305 HydrophobicContact CZ-CD 3.81Å; F166-K305 HydrophobicContact CZ-CG 4.02Å
167V88.1Confident89.6Confident94 Ų9464.9 Ų64.957%0.5734%0.34SS*.Hα-helixtrans-67.6-49.7178.8172.10000110.8A163 L164 A169A163-V167 WeakPolarHBondContact O-CG2 3.31Å; A163-V167 PolarHBondContact O-N 3.26Å; L164-V167 PolarHBondContact O-N 3.43Å; V167-A169 VanDerWaalsContact C-N 3.31Å; V167-A169 PolarHBondContact O-N 3.21Å
168F88.8Confident89.8Confident103 Ų10362.9 Ų62.945%0.45233%0.327SS..Hα-helixtrans-85.84-175.6-65.5-66.1000114.2L164 E170 S171 L172L164-F168 HydrophobicContact CB-CD2 4.36Å; L164-F168 HydrophobicContact CD2-CD2 4.31Å; L164-F168 HydrophobicContact CD2-CE2 3.81Å; L164-F168 WeakPolarHBondContact O-CB 3.3Å; L164-F168 WeakPolarHBondContact O-CD2 3.48Å; L164-F168 PolarHBondContact O-N 2.89Å; F168-E170 VanDerWaalsContact C-N 3.28Å; F168-E170 PolarHBondContact O-N 2.65Å; F168-E170 VanDerWaalsContact O-N 3.17Å; F168-S171 PolarHBondContact O-N 3.43Å; F168-L172 HydrophobicContact CB-CD1 3.99Å; F168-L172 HydrophobicContact CB-CG 4.15Å; F168-L172 WeakPolarHBondContact O-CB 3.47Å; F168-L172 WeakPolarHBondContact O-CG 2.98Å; F168-L172 PolarHBondContact O-N 3.11Å
169A90.3Very high90Very high0 Ų063 Ų630%032%0.323CS..Hα-helixtrans-52.3-42-174.800000113.9L165 V167 S173 L276 Q277L165-A169 WeakPolarHBondContact O-CA 3.4Å; L165-A169 VanDerWaalsContact O-CB 3.29Å; L165-A169 WeakPolarHBondContact O-CB 3.3Å; L165-A169 PolarHBondContact O-N 2.74Å; V167-A169 VanDerWaalsContact C-N 3.31Å; V167-A169 PolarHBondContact O-N 3.21Å; A169-S173 WeakPolarHBondContact O-CB 3.47Å; A169-S173 PolarHBondContact O-N 2.86Å; A169-S173 PolarHBondContact O-OG 3.29Å; A169-L276 HydrophobicContact CB-CB 3.94Å; A169-Q277 HydrophobicContact CB-CG 3.52Å
170E88.1Confident90.1Very high93 Ų9363.6 Ų63.644%0.43533%0.325SS..Hα-helixtrans-75.1-33.7-179.8-71.3167-138.900113F168 S173 R174 S273 Q277 K305F168-E170 VanDerWaalsContact C-N 3.28Å; F168-E170 PolarHBondContact O-N 2.65Å; F168-E170 VanDerWaalsContact O-N 3.17Å; E170-S173 PolarHBondContact O-OG 3.48Å; E170-R174 WeakPolarHBondContact O-CG 3.32Å; E170-S273 VanDerWaalsContact CG-OG 3.26Å; E170-S273 WeakPolarHBondContact CG-OG 3.45Å; E170-Q277 PolarHBondContact OE1-NE2 2.92Å; E170-K305 IonicContact OE1-NZ 2.75Å; E170-K305 PolarHBondContact OE1-NZ 3.1Å
171S88.8Confident90.2Very high79 Ų7962.6 Ų62.655%0.55232%0.324SS*.Hα-helixtrans-71-42.5174.8-178.60000110.7F168 R174 S175F168-S171 PolarHBondContact O-N 3.43Å; S171-R174 PolarHBondContact O-N 3.45Å; S171-S175 PolarHBondContact O-N 3.39Å
172L88.2Confident90.3Very high53 Ų5361.6 Ų61.628%0.27732%0.319SS..Hα-helixtrans-67.3-40.9178-72.5169.7000112F168 R174 S175 F178 L276F168-L172 HydrophobicContact CB-CD1 3.99Å; F168-L172 HydrophobicContact CB-CG 4.15Å; F168-L172 WeakPolarHBondContact O-CB 3.47Å; F168-L172 WeakPolarHBondContact O-CG 2.98Å; F168-L172 PolarHBondContact O-N 3.11Å; L172-R174 PolarHBondContact O-N 3.35Å; L172-S175 WeakPolarHBondContact O-CB 3.37Å; L172-S175 PolarHBondContact O-N 3.02Å; L172-S175 VanDerWaalsContact O-N 3.1Å; L172-F178 HydrophobicContact CB-CD1 4.29Å; L172-F178 HydrophobicContact CB-CD2 4.34Å; L172-F178 HydrophobicContact CB-CG 4.15Å; L172-F178 HydrophobicContact CD2-CB 4.39Å; L172-F178 HydrophobicContact CD2-CD2 3.93Å; L172-F178 HydrophobicContact CD2-CG 4.25Å; L172-F178 VanDerWaalsContact O-CB 3.3Å; L172-F178 WeakPolarHBondContact O-CB 3.02Å; L172-F178 VanDerWaalsContact O-CD1 3.3Å; L172-F178 WeakPolarHBondContact O-CD1 3.47Å; L172-L276 HydrophobicContact CB-CD1 4.36Å
173S89.4Confident90.3Very high7 Ų762.5 Ų62.55%0.04933%0.329CS..Hα-helixtrans-65.3-25.3179.768.30000113.5A169 E170A169-S173 WeakPolarHBondContact O-CB 3.47Å; A169-S173 PolarHBondContact O-N 2.86Å; A169-S173 PolarHBondContact O-OG 3.29Å; E170-S173 PolarHBondContact O-OG 3.48Å
174R89.6Confident90.4Very high180 Ų18064 Ų6468%0.67933%0.331SS*.Hα-helixtrans-89-14.7175.2-67.1177-178.5-177.71.8113.4E170 S171 L172 Q176 I269E170-R174 WeakPolarHBondContact O-CG 3.32Å; S171-R174 PolarHBondContact O-N 3.45Å; L172-R174 PolarHBondContact O-N 3.35Å; R174-Q176 PolarHBondContact O-N 2.97Å; R174-I269 HydrophobicContact CG-CG2 3.79Å
175S90.6Very high90.4Very high43 Ų4362.8 Ų62.830%0.30133%0.33SS..  trans-76.2122.4-178.9178.60000111.2S171 L172 I177 F178 F179S171-S175 PolarHBondContact O-N 3.39Å; L172-S175 WeakPolarHBondContact O-CB 3.37Å; L172-S175 PolarHBondContact O-N 3.02Å; L172-S175 VanDerWaalsContact O-N 3.1Å; S175-I177 VanDerWaalsContact C-N 3.26Å; S175-I177 PolarHBondContact O-N 2.93Å; S175-I177 PolarHBondContact OG-N 3.32Å; S175-F178 PolarHBondContact O-N 3.39Å; S175-F178 PolarHBondContact OG-N 2.94Å; S175-F179 PolarHBondContact O-N 2.91Å
176Q89.5Confident90.3Very high126 Ų12665.4 Ų65.459%0.58935%0.348SS*.Hα-helixtrans-62.3-36.2175.1-64.6176.2-31.900111.7R174 F178 F179 Y180 P262R174-Q176 PolarHBondContact O-N 2.97Å; Q176-F178 VanDerWaalsContact C-N 3.33Å; Q176-F178 PolarHBondContact O-N 3.08Å; Q176-F179 PolarHBondContact O-N 3.24Å; Q176-Y180 HydrophobicContact CB-CE2 4.31Å; Q176-Y180 WeakPolarHBondContact O-CD2 3.35Å; Q176-Y180 PolarHBondContact O-N 3.23Å; Q176-Y180 VanDerWaalsContact O-N 3.11Å; Q176-P262 HydrophobicContact CG-CB 4.35Å
177I90.1Very high90.3Very high137 Ų13766 Ų6670%0.70336%0.356SS*.Hα-helixtrans-63.8-42.2179-57.9168.4000110.1S175 Y180 S181S175-I177 VanDerWaalsContact C-N 3.26Å; S175-I177 PolarHBondContact O-N 2.93Å; S175-I177 PolarHBondContact OG-N 3.32Å; I177-Y180 PolarHBondContact O-N 3.3Å; I177-S181 WeakPolarHBondContact O-CB 3.43Å; I177-S181 PolarHBondContact O-N 3.23Å; I177-S181 PolarHBondContact O-OG 3.02Å
178F90.8Very high90.4Very high48 Ų4863.1 Ų63.121%0.21134%0.337CS..Hα-helixtrans-62-45177.1-178-103.4000111.1L172 S175 Q176 Y180 S181 A182 L276L172-F178 HydrophobicContact CB-CD1 4.29Å; L172-F178 HydrophobicContact CB-CD2 4.34Å; L172-F178 HydrophobicContact CB-CG 4.15Å; L172-F178 HydrophobicContact CD2-CB 4.39Å; L172-F178 HydrophobicContact CD2-CD2 3.93Å; L172-F178 HydrophobicContact CD2-CG 4.25Å; L172-F178 VanDerWaalsContact O-CB 3.3Å; L172-F178 WeakPolarHBondContact O-CB 3.02Å; L172-F178 VanDerWaalsContact O-CD1 3.3Å; L172-F178 WeakPolarHBondContact O-CD1 3.47Å; S175-F178 PolarHBondContact O-N 3.39Å; S175-F178 PolarHBondContact OG-N 2.94Å; Q176-F178 VanDerWaalsContact C-N 3.33Å; Q176-F178 PolarHBondContact O-N 3.08Å; F178-Y180 PolarHBondContact O-N 3.31Å; F178-S181 WeakPolarHBondContact CA-OG 3.19Å; F178-S181 PolarHBondContact O-N 2.82Å; F178-S181 PolarHBondContact O-OG 2.58Å; F178-A182 HydrophobicContact CE1-CB 4.38Å; F178-A182 HydrophobicContact CZ-CB 4.29Å; F178-A182 VanDerWaalsContact O-CB 3.24Å; F178-A182 WeakPolarHBondContact O-CB 3.33Å; F178-A182 PolarHBondContact O-N 3.07Å; F178-L276 HydrophobicContact CE1-CD1 3.77Å; F178-L276 HydrophobicContact CE1-CD2 4.07Å; F178-L276 HydrophobicContact CE1-CG 4.48Å; F178-L276 HydrophobicContact CZ-CD1 4.12Å; F178-L276 HydrophobicContact CZ-CD2 3.69Å
179F90.2Very high90.4Very high51 Ų5163.2 Ų63.222%0.22434%0.341CS..Hα-helixtrans-58.1-50177.6-178.9-101.5000113.1S175 Q176 G183 G261 P262 L263S175-F179 PolarHBondContact O-N 2.91Å; Q176-F179 PolarHBondContact O-N 3.24Å; F179-G183 PolarHBondContact O-N 3.27Å; F179-G261 WeakPolarHBondContact CE1-O 3.26Å; F179-G261 VanDerWaalsContact CZ-O 3.27Å; F179-G261 WeakPolarHBondContact CZ-O 3.29Å; F179-P262 HydrophobicContact CD1-CB 4.29Å; F179-L263 HydrophobicContact CD2-CD1 3.23Å; F179-L263 HydrophobicContact CD2-CG 4.08Å; F179-L263 HydrophobicContact CE2-CD1 3.46Å; F179-L263 VanDerWaalsContact CE2-CD1 3.46Å; F179-L263 HydrophobicContact CE2-CG 3.85Å; F179-L263 HydrophobicContact CG-CD1 4.22Å
180Y91.6Very high90.2Very high46 Ų4665.2 Ų65.218%0.1836%0.358CS..Hα-helixtrans-66.6-40.5179.4-66.1-60.2000112.2Q176 I177 F178 G183 M184 C257Q176-Y180 HydrophobicContact CB-CE2 4.31Å; Q176-Y180 WeakPolarHBondContact O-CD2 3.35Å; Q176-Y180 PolarHBondContact O-N 3.23Å; Q176-Y180 VanDerWaalsContact O-N 3.11Å; I177-Y180 PolarHBondContact O-N 3.3Å; F178-Y180 PolarHBondContact O-N 3.31Å; Y180-G183 PolarHBondContact O-N 3.43Å; Y180-M184 WeakPolarHBondContact O-CB 3.49Å; Y180-M184 WeakPolarHBondContact O-CE 3.46Å; Y180-M184 VanDerWaalsContact O-CG 3.26Å; Y180-M184 WeakPolarHBondContact O-CG 3.24Å; Y180-M184 PolarHBondContact O-N 3.07Å; Y180-C257 HydrophobicContact CD1-CB 4.13Å
181S92.2Very high90.3Very high50 Ų5062.1 Ų62.135%0.3535%0.346SS..Hα-helixtrans-66.3-46.1178.9650000112.9I177 F178 G183 M184 S185I177-S181 WeakPolarHBondContact O-CB 3.43Å; I177-S181 PolarHBondContact O-N 3.23Å; I177-S181 PolarHBondContact O-OG 3.02Å; F178-S181 WeakPolarHBondContact CA-OG 3.19Å; F178-S181 PolarHBondContact O-N 2.82Å; F178-S181 PolarHBondContact O-OG 2.58Å; S181-G183 VanDerWaalsContact C-N 3.34Å; S181-M184 PolarHBondContact O-N 3.34Å; S181-S185 PolarHBondContact O-N 2.86Å; S181-S185 PolarHBondContact O-OG 3.07Å
182A92.1Very high90.1Very high29 Ų2962.4 Ų62.424%0.2434%0.341CS..Hα-helixtrans-66.3-37.2176.800000111.8F178 S185 T186F178-A182 HydrophobicContact CE1-CB 4.38Å; F178-A182 HydrophobicContact CZ-CB 4.29Å; F178-A182 VanDerWaalsContact O-CB 3.24Å; F178-A182 WeakPolarHBondContact O-CB 3.33Å; F178-A182 PolarHBondContact O-N 3.07Å; A182-S185 WeakPolarHBondContact CA-OG 3.38Å; A182-S185 PolarHBondContact O-OG 2.93Å; A182-T186 VanDerWaalsContact O-CB 3.29Å; A182-T186 WeakPolarHBondContact O-CB 3.39Å; A182-T186 PolarHBondContact O-N 3.47Å; A182-T186 PolarHBondContact O-OG1 3.41Å
183G91.6Very high89.8Confident20 Ų2064.6 Ų64.621%0.20635%0.352CS..Hα-helixtrans-63.1-47.2173.300000112.2F179 Y180 S181 T186 G187F179-G183 PolarHBondContact O-N 3.27Å; Y180-G183 PolarHBondContact O-N 3.43Å; S181-G183 VanDerWaalsContact C-N 3.34Å; G183-T186 PolarHBondContact O-N 2.87Å; G183-G187 PolarHBondContact O-N 3.23Å
184M93Very high89.5Confident59 Ų5969 Ų6929%0.29137%0.374SS..Hα-helixtrans-60.8-46.6174.4-75.4-174-68.400112Y180 S181 T186 G187 M188 F254Y180-M184 WeakPolarHBondContact O-CB 3.49Å; Y180-M184 WeakPolarHBondContact O-CE 3.46Å; Y180-M184 VanDerWaalsContact O-CG 3.26Å; Y180-M184 WeakPolarHBondContact O-CG 3.24Å; Y180-M184 PolarHBondContact O-N 3.07Å; S181-M184 PolarHBondContact O-N 3.34Å; M184-T186 VanDerWaalsContact C-N 3.33Å; M184-T186 PolarHBondContact O-N 3.26Å; M184-G187 PolarHBondContact O-N 3.4Å; M184-M188 WeakPolarHBondContact O-CB 3.3Å; M184-M188 WeakPolarHBondContact O-CG 3.31Å; M184-M188 PolarHBondContact O-N 2.92Å; M184-F254 HydrophobicContact CE-CD2 4.32Å; M184-F254 HydrophobicContact CG-CB 4.04Å; M184-F254 HydrophobicContact CG-CD2 4.42Å; M184-F254 HydrophobicContact SD-CB 3.77Å; M184-F254 HydrophobicContact SD-CD2 3.76Å; M184-F254 HydrophobicContact SD-CG 4.18Å
185S91.6Very high89Confident59 Ų5964.4 Ų64.441%0.41336%0.362SS..Hα-helixtrans-63.9-39.517961.30000112.2S181 A182 M188 I189S181-S185 PolarHBondContact O-N 2.86Å; S181-S185 PolarHBondContact O-OG 3.07Å; A182-S185 WeakPolarHBondContact CA-OG 3.38Å; A182-S185 PolarHBondContact O-OG 2.93Å; S185-M188 WeakPolarHBondContact O-CB 3.41Å; S185-M188 PolarHBondContact O-N 3.15Å; S185-I189 VanDerWaalsContact O-CG1 3.3Å; S185-I189 WeakPolarHBondContact O-CG1 3.18Å; S185-I189 PolarHBondContact O-N 3.07Å
186T90.8Very high88.2Confident89 Ų8964.8 Ų64.855%0.54636%0.359SS..Hα-helixtrans-67.6-42.1177-54.40000110.9A182 G183 M184 M188 I189 A190A182-T186 VanDerWaalsContact O-CB 3.29Å; A182-T186 WeakPolarHBondContact O-CB 3.39Å; A182-T186 PolarHBondContact O-N 3.47Å; A182-T186 PolarHBondContact O-OG1 3.41Å; G183-T186 PolarHBondContact O-N 2.87Å; M184-T186 VanDerWaalsContact C-N 3.33Å; M184-T186 PolarHBondContact O-N 3.26Å; T186-M188 VanDerWaalsContact C-N 3.35Å; T186-M188 PolarHBondContact O-N 3.42Å; T186-I189 PolarHBondContact O-N 3.1Å; T186-A190 VanDerWaalsContact O-CB 3.31Å; T186-A190 WeakPolarHBondContact O-CB 3.3Å; T186-A190 PolarHBondContact O-N 2.95Å
187G92.2Very high87.4Confident21 Ų2165 Ų6522%0.21636%0.358CS..Hα-helixtrans-61.7-40.4174.700000112.7G183 M184 A190 S191G183-G187 PolarHBondContact O-N 3.23Å; M184-G187 PolarHBondContact O-N 3.4Å; G187-A190 PolarHBondContact O-N 2.84Å; G187-S191 VanDerWaalsContact O-CB 3.31Å; G187-S191 WeakPolarHBondContact O-CB 3.27Å; G187-S191 PolarHBondContact O-N 2.87Å; G187-S191 PolarHBondContact O-OG 2.74Å
188M89.4Confident86.7Confident32 Ų3262.2 Ų62.216%0.15834%0.344CS..Hα-helixtrans-61.6-42.2174.2-77-65.4-61.800112.9M184 S185 T186 S191 L192 Y245 V246 V249 G250M184-M188 WeakPolarHBondContact O-CB 3.3Å; M184-M188 WeakPolarHBondContact O-CG 3.31Å; M184-M188 PolarHBondContact O-N 2.92Å; S185-M188 WeakPolarHBondContact O-CB 3.41Å; S185-M188 PolarHBondContact O-N 3.15Å; T186-M188 VanDerWaalsContact C-N 3.35Å; T186-M188 PolarHBondContact O-N 3.42Å; M188-S191 WeakPolarHBondContact CA-OG 3.47Å; M188-S191 PolarHBondContact O-OG 3.25Å; M188-L192 WeakPolarHBondContact O-CG 3.19Å; M188-L192 PolarHBondContact O-N 3.27Å; M188-Y245 HydrophobicContact CE-CD1 3.69Å; M188-Y245 HydrophobicContact CE-CE1 3.42Å; M188-Y245 VanDerWaalsContact CE-CE1 3.42Å; M188-Y245 PolarHBondContact O-OH 3.47Å; M188-Y245 HydrophobicContact SD-CE1 4.32Å; M188-V246 HydrophobicContact CE-CB 4.11Å; M188-V246 HydrophobicContact CE-CG1 4.36Å; M188-V246 HydrophobicContact CE-CG2 3.77Å; M188-V249 HydrophobicContact SD-CB 3.61Å; M188-V249 HydrophobicContact SD-CG1 3.44Å; M188-V249 WeakPolarHBondContact SD-CG1 3.39Å; M188-G250 PolarHBondContact SD-N 3.41Å; M188-G250 VanDerWaalsContact SD-N 3.41Å
189I87.7Confident85.7Confident105 Ų10564.8 Ų64.854%0.53836%0.359SS..Hα-helixtrans-71-44.9176.9-65.5163.8000110.6S185 T186 S191 L192 I193S185-I189 VanDerWaalsContact O-CG1 3.3Å; S185-I189 WeakPolarHBondContact O-CG1 3.18Å; S185-I189 PolarHBondContact O-N 3.07Å; T186-I189 PolarHBondContact O-N 3.1Å; I189-S191 PolarHBondContact O-N 2.99Å; I189-L192 WeakPolarHBondContact O-CB 3.47Å; I189-L192 PolarHBondContact O-N 2.93Å; I189-I193 HydrophobicContact CG2-CD1 4.13Å; I189-I193 WeakPolarHBondContact O-CG1 3.34Å; I189-I193 PolarHBondContact O-N 2.86Å; I189-I193 VanDerWaalsContact O-N 3.1Å
190A87.9Confident84.4Confident43 Ų4362.7 Ų62.736%0.35535%0.351SS..Hα-helixtrans-62.4-42.5-179.200000112.3T186 G187 I193 I194T186-A190 VanDerWaalsContact O-CB 3.31Å; T186-A190 WeakPolarHBondContact O-CB 3.3Å; T186-A190 PolarHBondContact O-N 2.95Å; G187-A190 PolarHBondContact O-N 2.84Å; A190-I193 WeakPolarHBondContact O-CB 3.19Å; A190-I193 PolarHBondContact O-N 2.99Å; A190-I194 WeakPolarHBondContact O-CG1 3.34Å; A190-I194 PolarHBondContact O-N 2.82Å
191S89.8Confident83.3Confident28 Ų2870.1 Ų70.120%0.19638%0.379CS..Hα-helixtrans-65.4-34.5175.249.10000113G187 M188 I189 I193 I194 L195 Y245 V249G187-S191 VanDerWaalsContact O-CB 3.31Å; G187-S191 WeakPolarHBondContact O-CB 3.27Å; G187-S191 PolarHBondContact O-N 2.87Å; G187-S191 PolarHBondContact O-OG 2.74Å; M188-S191 WeakPolarHBondContact CA-OG 3.47Å; M188-S191 PolarHBondContact O-OG 3.25Å; I189-S191 PolarHBondContact O-N 2.99Å; S191-I193 VanDerWaalsContact C-N 3.33Å; S191-I194 PolarHBondContact O-N 2.93Å; S191-L195 VanDerWaalsContact O-CB 3.31Å; S191-L195 WeakPolarHBondContact O-CB 3.34Å; S191-L195 PolarHBondContact O-N 3.4Å; S191-Y245 WeakPolarHBondContact CB-OH 3.21Å; S191-Y245 PolarHBondContact OG-OH 3.23Å; S191-V249 WeakPolarHBondContact OG-CG1 3.42Å
192L83.4Confident81.9Confident85 Ų8575.5 Ų75.545%0.44540%0.396SS..Hα-helixtrans-63.5-41.2172.4-78.1175.1000111M188 I189 L195 F196 Y245M188-L192 WeakPolarHBondContact O-CG 3.19Å; M188-L192 PolarHBondContact O-N 3.27Å; I189-L192 WeakPolarHBondContact O-CB 3.47Å; I189-L192 PolarHBondContact O-N 2.93Å; L192-L195 PolarHBondContact O-N 2.78Å; L192-F196 WeakPolarHBondContact O-CB 3.44Å; L192-F196 PolarHBondContact O-N 2.95Å; L192-Y245 WeakPolarHBondContact CA-OH 3.43Å; L192-Y245 HydrophobicContact CD1-CE1 4.4Å; L192-Y245 HydrophobicContact CD2-CD1 4.29Å; L192-Y245 HydrophobicContact CD2-CE1 3.47Å; L192-Y245 VanDerWaalsContact CD2-CE1 3.47Å; L192-Y245 HydrophobicContact CD2-CE2 4.06Å; L192-Y245 WeakPolarHBondContact CD2-OH 3.3Å; L192-Y245 HydrophobicContact CG-CE1 3.73Å; L192-Y245 WeakPolarHBondContact CG-OH 3.02Å; L192-Y245 PolarHBondContact N-OH 2.82Å
193I82.7Confident80.4Confident99 Ų9978.4 Ų78.451%0.50841%0.407SS..Hα-helixtrans-63.5-43.2176.5-64.2166.1000110.5I189 A190 S191 F196 F197I189-I193 HydrophobicContact CG2-CD1 4.13Å; I189-I193 WeakPolarHBondContact O-CG1 3.34Å; I189-I193 PolarHBondContact O-N 2.86Å; I189-I193 VanDerWaalsContact O-N 3.1Å; A190-I193 WeakPolarHBondContact O-CB 3.19Å; A190-I193 PolarHBondContact O-N 2.99Å; S191-I193 VanDerWaalsContact C-N 3.33Å; I193-F196 PolarHBondContact O-N 3.36Å; I193-F197 WeakPolarHBondContact O-CB 3.24Å; I193-F197 PolarHBondContact O-N 3.45Å
194I83.4Confident78.7Confident100 Ų10082.1 Ų82.151%0.51343%0.427SS..Hα-helixtrans-65.3-46.8177.2-66.5164.7000111A190 S191 F196 F197 I198A190-I194 WeakPolarHBondContact O-CG1 3.34Å; A190-I194 PolarHBondContact O-N 2.82Å; S191-I194 PolarHBondContact O-N 2.93Å; I194-F196 VanDerWaalsContact C-N 3.27Å; I194-F196 PolarHBondContact O-N 3.48Å; I194-F197 WeakPolarHBondContact O-CB 3.48Å; I194-F197 PolarHBondContact O-N 2.97Å; I194-F197 VanDerWaalsContact O-N 3.15Å; I194-I198 HydrophobicContact CG2-CD1 3.77Å; I194-I198 HydrophobicContact CG2-CG1 4.36Å; I194-I198 VanDerWaalsContact O-CG1 3.3Å; I194-I198 WeakPolarHBondContact O-CG1 3.17Å; I194-I198 PolarHBondContact O-N 2.9Å
195L79.6Confident77Confident82 Ų8286.7 Ų86.743%0.42945%0.446SS..Hα-helixtrans-56.1-45.8176.6-176.978.4000110.4S191 L192 I198 L199 Y245S191-L195 VanDerWaalsContact O-CB 3.31Å; S191-L195 WeakPolarHBondContact O-CB 3.34Å; S191-L195 PolarHBondContact O-N 3.4Å; L192-L195 PolarHBondContact O-N 2.78Å; L195-I198 PolarHBondContact O-N 3.36Å; L195-L199 HydrophobicContact CG-CD1 4.21Å; L195-L199 WeakPolarHBondContact O-CG 3.46Å; L195-L199 PolarHBondContact O-N 3.29Å; L195-Y245 HydrophobicContact CD2-CE2 4.37Å
196F74Confident75.2Confident52 Ų5293.8 Ų93.823%0.22847%0.469CS..Hα-helixtrans-62.2-45.6176.7177.3-96.7000112.2L192 I193 I194 I198 L199 S200 F219 A223L192-F196 WeakPolarHBondContact O-CB 3.44Å; L192-F196 PolarHBondContact O-N 2.95Å; I193-F196 PolarHBondContact O-N 3.36Å; I194-F196 VanDerWaalsContact C-N 3.27Å; I194-F196 PolarHBondContact O-N 3.48Å; F196-I198 VanDerWaalsContact C-N 3.27Å; F196-I198 PolarHBondContact O-N 2.92Å; F196-L199 PolarHBondContact O-N 3.39Å; F196-S200 WeakPolarHBondContact O-CB 3.49Å; F196-S200 PolarHBondContact O-N 3.05Å; F196-F219 HydrophobicContact CD1-CE1 4.36Å; F196-F219 AromaticContact CE1-CD1 3.79Å; F196-F219 HydrophobicContact CE1-CD1 3.79Å; F196-F219 AromaticContact CE1-CE1 3.17Å; F196-F219 HydrophobicContact CE1-CE1 3.17Å; F196-F219 AromaticContact CE1-CZ 3.7Å; F196-F219 HydrophobicContact CE1-CZ 3.7Å; F196-F219 HydrophobicContact CE2-CZ 4.41Å; F196-F219 HydrophobicContact CZ-CD1 4.18Å; F196-F219 AromaticContact CZ-CE1 3.34Å; F196-F219 HydrophobicContact CZ-CE1 3.34Å; F196-F219 HydrophobicContact CZ-CE2 4.13Å; F196-F219 AromaticContact CZ-CZ 3.3Å; F196-F219 HydrophobicContact CZ-CZ 3.3Å; F196-A223 HydrophobicContact CD1-CB 3.58Å; F196-A223 HydrophobicContact CD2-CB 3.81Å; F196-A223 HydrophobicContact CE1-CB 3.04Å; F196-A223 HydrophobicContact CE2-CB 3.33Å; F196-A223 HydrophobicContact CG-CB 3.94Å; F196-A223 HydrophobicContact CZ-CB 2.94Å
197F71.9Confident73.6Confident131 Ų13191.8 Ų91.858%0.57546%0.459SS*.Hα-helixtrans-59.1-40.5176.1-176.9-99.7000111.7I193 I194 S200 R201I193-F197 WeakPolarHBondContact O-CB 3.24Å; I193-F197 PolarHBondContact O-N 3.45Å; I194-F197 WeakPolarHBondContact O-CB 3.48Å; I194-F197 PolarHBondContact O-N 2.97Å; I194-F197 VanDerWaalsContact O-N 3.15Å; F197-S200 PolarHBondContact O-N 2.93Å; F197-S200 PolarHBondContact O-OG 2.89Å; F197-R201 PolarHBondContact O-N 3.49Å
198I75.6Confident71.9Confident77 Ų7796 Ų9640%0.39548%0.483SS..Hα-helixtrans-64.7-49.2175.5-69169.8000110.8I194 L195 F196 S200 R201 F202I194-I198 HydrophobicContact CG2-CD1 3.77Å; I194-I198 HydrophobicContact CG2-CG1 4.36Å; I194-I198 VanDerWaalsContact O-CG1 3.3Å; I194-I198 WeakPolarHBondContact O-CG1 3.17Å; I194-I198 PolarHBondContact O-N 2.9Å; L195-I198 PolarHBondContact O-N 3.36Å; F196-I198 VanDerWaalsContact C-N 3.27Å; F196-I198 PolarHBondContact O-N 2.92Å; I198-S200 VanDerWaalsContact C-N 3.25Å; I198-S200 PolarHBondContact O-N 2.7Å; I198-R201 WeakPolarHBondContact O-CB 3.29Å; I198-R201 PolarHBondContact O-N 2.93Å; I198-F202 HydrophobicContact CG2-CD2 3.97Å; I198-F202 HydrophobicContact CG2-CE2 3.42Å; I198-F202 VanDerWaalsContact CG2-CE2 3.42Å; I198-F202 HydrophobicContact CG2-CZ 4.48Å; I198-F202 WeakPolarHBondContact O-CD2 3.43Å; I198-F202 PolarHBondContact O-N 2.93Å
199L69.2Low70.3Confident102 Ų102101 Ų10153%0.53450%0.504SS..Hα-helixtrans-58.7-37.7177.3-71.8171.2000112.1L195 F196 R201 F202L195-L199 HydrophobicContact CG-CD1 4.21Å; L195-L199 WeakPolarHBondContact O-CG 3.46Å; L195-L199 PolarHBondContact O-N 3.29Å; F196-L199 PolarHBondContact O-N 3.39Å; L199-R201 VanDerWaalsContact C-N 3.27Å; L199-R201 PolarHBondContact O-N 3.07Å; L199-F202 PolarHBondContact O-N 3.43Å
200S62.7Low68.9Low8 Ų8100.9 Ų100.96%0.05650%0.497CS..Hα-helixtrans-63.8-32.5176.177.70000113.6F196 F197 I198 F202 L203F196-S200 WeakPolarHBondContact O-CB 3.49Å; F196-S200 PolarHBondContact O-N 3.05Å; F197-S200 PolarHBondContact O-N 2.93Å; F197-S200 PolarHBondContact O-OG 2.89Å; I198-S200 VanDerWaalsContact C-N 3.25Å; I198-S200 PolarHBondContact O-N 2.7Å; S200-F202 VanDerWaalsContact C-N 3.26Å; S200-F202 PolarHBondContact O-N 3.16Å; S200-L203 WeakPolarHBondContact O-CB 3.15Å; S200-L203 PolarHBondContact O-N 2.78Å
201R68.8Low67.5Low201 Ų201106.8 Ų106.876%0.75852%0.519SS*.Hα-helixtrans-71.6-23.2178.1-172.3175.8178.3129.8-1.9112.3F197 I198 L199 L203F197-R201 PolarHBondContact O-N 3.49Å; I198-R201 WeakPolarHBondContact O-CB 3.29Å; I198-R201 PolarHBondContact O-N 2.93Å; L199-R201 VanDerWaalsContact C-N 3.27Å; L199-R201 PolarHBondContact O-N 3.07Å; R201-L203 VanDerWaalsContact C-N 3.33Å
202F62.7Low66Low163 Ų163110.4 Ų110.472%0.71554%0.536SS*.THydrogen-bonded Turntrans-85.7-2.4177.1-69-66.8000113.7I198 L199 S200I198-F202 HydrophobicContact CG2-CD2 3.97Å; I198-F202 HydrophobicContact CG2-CE2 3.42Å; I198-F202 VanDerWaalsContact CG2-CE2 3.42Å; I198-F202 HydrophobicContact CG2-CZ 4.48Å; I198-F202 WeakPolarHBondContact O-CD2 3.43Å; I198-F202 PolarHBondContact O-N 2.93Å; L199-F202 PolarHBondContact O-N 3.43Å; S200-F202 VanDerWaalsContact C-N 3.26Å; S200-F202 PolarHBondContact O-N 3.16Å
203L61.1Low64.8Low90 Ų90108.6 Ų108.647%0.47153%0.526SS..SBendtrans-71.3139.6174.5-67.6172.2000111.4S200 R201 K205 I213S200-L203 WeakPolarHBondContact O-CB 3.15Å; S200-L203 PolarHBondContact O-N 2.78Å; R201-L203 VanDerWaalsContact C-N 3.33Å; L203-K205 PolarHBondContact O-N 3.36Å; L203-I213 HydrophobicContact CD1-CD1 4.33Å
204P56.2Low63.7Low98 Ų98109.3 Ų109.364%0.63654%0.535SS*.  trans-64.2124.1-170.922.5-32.2000112.8K206 S207P204-K206 PolarHBondContact O-N 3.26Å; P204-S207 PolarHBondContact O-N 3.37Å
205K56Low62.5Low156 Ų156106.7 Ų106.768%0.67853%0.533SS*.THydrogen-bonded Turntrans-58.1-6.1-177-65.7-176.1174178.30116.4L203 Y210L203-K205 PolarHBondContact O-N 3.36Å; K205-Y210 HydrophobicContact CB-CD2 4.34Å; K205-Y210 HydrophobicContact CB-CE2 4.4Å; K205-Y210 HydrophobicContact CD-CE2 4.47Å; K205-Y210 HydrophobicContact CG-CD2 4.1Å; K205-Y210 HydrophobicContact CG-CE2 3.75Å
206K55Low62Low208 Ų208104.9 Ų104.990%0.90453%0.534SS*.THydrogen-bonded Turntrans-93.9-6.9-172.1-64.6-103179.7171.10113.5P204P204-K206 PolarHBondContact O-N 3.26Å
207S57Low61.4Low47 Ų47113.2 Ų113.233%0.32956%0.564SS.*SBendtrans-91141.7-177.4-170.70000110.9P204 F209 Y210P204-S207 PolarHBondContact O-N 3.37Å; S207-F209 PolarHBondContact O-N 2.92Å; S207-F209 WeakPolarHBondContact OG-CD2 3.17Å; S207-Y210 WeakPolarHBondContact O-CB 3.48Å; S207-Y210 PolarHBondContact O-N 3.28Å
208P55.1Low61.1Low110 Ų110109.7 Ų109.771%0.71456%0.556SS**THydrogen-bonded Turntrans-55.8-15.4175.323.5-34.6000113.4Y210 M211P208-Y210 VanDerWaalsContact C-N 3.29Å; P208-Y210 PolarHBondContact O-N 3.12Å; P208-M211 PolarHBondContact O-N 2.86Å
209F56.6Low60.7Low136 Ų136107.4 Ų107.460%0.59654%0.543SS*.Hα-helixtrans-63.3-25.4170.5-72.5-96.7000114.3S207 M211 L212 I213S207-F209 PolarHBondContact O-N 2.92Å; S207-F209 WeakPolarHBondContact OG-CD2 3.17Å; F209-M211 VanDerWaalsContact C-N 3.28Å; F209-M211 PolarHBondContact O-N 3.34Å; F209-L212 WeakPolarHBondContact O-CB 3.38Å; F209-L212 PolarHBondContact O-N 3.13Å; F209-L212 VanDerWaalsContact O-N 3.14Å; F209-I213 WeakPolarHBondContact O-CG1 3.44Å; F209-I213 PolarHBondContact O-N 3.48Å
210Y58Low60.6Low103 Ų103105.4 Ų105.440%0.40454%0.538SS..Hα-helixtrans-65.7-31.3177.1-171.1-95.2000112.4K205 S207 P208 L212 I213 V214K205-Y210 HydrophobicContact CB-CD2 4.34Å; K205-Y210 HydrophobicContact CB-CE2 4.4Å; K205-Y210 HydrophobicContact CD-CE2 4.47Å; K205-Y210 HydrophobicContact CG-CD2 4.1Å; K205-Y210 HydrophobicContact CG-CE2 3.75Å; S207-Y210 WeakPolarHBondContact O-CB 3.48Å; S207-Y210 PolarHBondContact O-N 3.28Å; P208-Y210 VanDerWaalsContact C-N 3.29Å; P208-Y210 PolarHBondContact O-N 3.12Å; Y210-L212 VanDerWaalsContact C-N 3.31Å; Y210-I213 PolarHBondContact O-N 3.41Å; Y210-V214 PolarHBondContact O-N 2.86Å
211M58.5Low60.9Low167 Ų167108.7 Ų108.782%0.82355%0.554SS**Hα-helixtrans-72.6-27175.2-155.8178.3179.500112P208 F209P208-M211 PolarHBondContact O-N 2.86Å; F209-M211 VanDerWaalsContact C-N 3.28Å; F209-M211 PolarHBondContact O-N 3.34Å
212L59.4Low60.9Low104 Ų104104 Ų10455%0.54554%0.537SS..Hα-helixtrans-80.1-28.8175.4-155.6131.8000112.2F209 Y210 G215F209-L212 WeakPolarHBondContact O-CB 3.38Å; F209-L212 PolarHBondContact O-N 3.13Å; F209-L212 VanDerWaalsContact O-N 3.14Å; Y210-L212 VanDerWaalsContact C-N 3.31Å; L212-G215 WeakPolarHBondContact O-CA 3.32Å; L212-G215 PolarHBondContact O-N 3.43Å; L212-G215 VanDerWaalsContact O-N 3.07Å
213I56.5Low61.1Low46 Ų4696.3 Ų96.324%0.23650%0.504CS..Hα-helixtrans-68.6-31.5173.2-71.1166000112.1L203 F209 Y210 G215 F219L203-I213 HydrophobicContact CD1-CD1 4.33Å; F209-I213 WeakPolarHBondContact O-CG1 3.44Å; F209-I213 PolarHBondContact O-N 3.48Å; Y210-I213 PolarHBondContact O-N 3.41Å; I213-G215 PolarHBondContact O-N 3.47Å; I213-F219 HydrophobicContact CD1-CE2 4.27Å; I213-F219 HydrophobicContact CD1-CZ 4.48Å; I213-F219 HydrophobicContact CG1-CD2 3.85Å; I213-F219 HydrophobicContact CG1-CE2 3.78Å; I213-F219 HydrophobicContact CG1-CG 4.33Å; I213-F219 HydrophobicContact CG1-CZ 4.18Å
214V60.6Low61.4Low114 Ų11496.5 Ų96.569%0.69151%0.505SS*.SBendtrans-70.8-19170.3175.40000111.5Y210 G216Y210-V214 PolarHBondContact O-N 2.86Å; V214-G216 PolarHBondContact O-N 3.34Å
215G58.3Low61.9Low46 Ų4694.4 Ų94.447%0.47449%0.486SS..SBendtrans-86.541.2-177.100000116.5L212 I213L212-G215 WeakPolarHBondContact O-CA 3.32Å; L212-G215 PolarHBondContact O-N 3.43Å; L212-G215 VanDerWaalsContact O-N 3.07Å; I213-G215 PolarHBondContact O-N 3.47Å
216G69.1Low62.5Low44 Ų4489.8 Ų89.845%0.45447%0.468SS..THydrogen-bonded Turntrans64.7-153.3158.600000118.1V214 S218 F219V214-G216 PolarHBondContact O-N 3.34Å; G216-S218 PolarHBondContact O-N 3.1Å; G216-F219 PolarHBondContact O-N 2.95Å; G216-F219 VanDerWaalsContact O-N 3.07Å
217W61.1Low63Low226 Ų22682.9 Ų82.986%0.85644%0.444SS*.Hα-helixtrans-49.6-25.5-164.6-76.336.8000115.5F219 S220 L221W217-F219 VanDerWaalsContact C-N 3.28Å; W217-F219 PolarHBondContact O-N 3.26Å; W217-S220 PolarHBondContact O-N 3.14Å; W217-L221 WeakPolarHBondContact O-CG 3.44Å; W217-L221 PolarHBondContact O-N 2.71Å; W217-L221 VanDerWaalsContact O-N 3.08Å
218S65.8Low63.3Low58 Ų5884.9 Ų84.941%0.40646%0.457SS..Hα-helixtrans-59.9-34.7178.1-56.30000113.3G216 Y222G216-S218 PolarHBondContact O-N 3.1Å; S218-Y222 WeakPolarHBondContact O-CB 3.29Å; S218-Y222 PolarHBondContact O-N 3.32Å
219F68.1Low63.9Low28 Ų2885.8 Ų85.812%0.12345%0.446CS..Hα-helixtrans-71.7-43.6178.3-179.8-106000111.9F196 I213 G216 W217 L221 Y222 A223F196-F219 HydrophobicContact CD1-CE1 4.36Å; F196-F219 AromaticContact CE1-CD1 3.79Å; F196-F219 HydrophobicContact CE1-CD1 3.79Å; F196-F219 AromaticContact CE1-CE1 3.17Å; F196-F219 HydrophobicContact CE1-CE1 3.17Å; F196-F219 AromaticContact CE1-CZ 3.7Å; F196-F219 HydrophobicContact CE1-CZ 3.7Å; F196-F219 HydrophobicContact CE2-CZ 4.41Å; F196-F219 HydrophobicContact CZ-CD1 4.18Å; F196-F219 AromaticContact CZ-CE1 3.34Å; F196-F219 HydrophobicContact CZ-CE1 3.34Å; F196-F219 HydrophobicContact CZ-CE2 4.13Å; F196-F219 AromaticContact CZ-CZ 3.3Å; F196-F219 HydrophobicContact CZ-CZ 3.3Å; I213-F219 HydrophobicContact CD1-CE2 4.27Å; I213-F219 HydrophobicContact CD1-CZ 4.48Å; I213-F219 HydrophobicContact CG1-CD2 3.85Å; I213-F219 HydrophobicContact CG1-CE2 3.78Å; I213-F219 HydrophobicContact CG1-CG 4.33Å; I213-F219 HydrophobicContact CG1-CZ 4.18Å; G216-F219 PolarHBondContact O-N 2.95Å; G216-F219 VanDerWaalsContact O-N 3.07Å; W217-F219 VanDerWaalsContact C-N 3.28Å; W217-F219 PolarHBondContact O-N 3.26Å; F219-L221 VanDerWaalsContact C-N 3.28Å; F219-L221 PolarHBondContact O-N 3.44Å; F219-Y222 PolarHBondContact O-N 2.68Å; F219-A223 VanDerWaalsContact O-CB 3.3Å; F219-A223 WeakPolarHBondContact O-CB 3.37Å; F219-A223 PolarHBondContact O-N 3.44Å
220S66.6Low64.6Low61 Ų6182.1 Ų82.143%0.42743%0.433SS..Hα-helixtrans-61.5-36.8175.1-57.60000111.9W217 A223 I224W217-S220 PolarHBondContact O-N 3.14Å; S220-A223 WeakPolarHBondContact O-CB 3.36Å; S220-I224 WeakPolarHBondContact O-CD1 3.27Å; S220-I224 WeakPolarHBondContact O-CG1 3.36Å; S220-I224 PolarHBondContact O-N 3.31Å; S220-I224 VanDerWaalsContact O-N 3.07Å
221L68.5Low65.1Low76 Ų7681.4 Ų81.440%0.39844%0.435SS..Hα-helixtrans-70.4-42.9175.8-68.7174.1000112.3F109 W217 F219 A223 I224 Q225F109-L221 HydrophobicContact CE2-CD1 3.67Å; F109-L221 HydrophobicContact CZ-CD1 4.14Å; W217-L221 WeakPolarHBondContact O-CG 3.44Å; W217-L221 PolarHBondContact O-N 2.71Å; W217-L221 VanDerWaalsContact O-N 3.08Å; F219-L221 VanDerWaalsContact C-N 3.28Å; F219-L221 PolarHBondContact O-N 3.44Å; L221-A223 VanDerWaalsContact C-N 3.27Å; L221-A223 PolarHBondContact O-N 3.13Å; L221-I224 PolarHBondContact O-N 2.84Å; L221-Q225 VanDerWaalsContact O-CB 3.3Å; L221-Q225 WeakPolarHBondContact O-CB 3.49Å; L221-Q225 PolarHBondContact O-N 2.93Å
222Y69.8Low65.6Low103 Ų10376 Ų7640%0.40442%0.423SS..Hα-helixtrans-61-38.8175179.8-105.1000112.1F112 S218 F219 Q225 L226F112-Y222 AromaticContact CE1-CD2 3.95Å; F112-Y222 HydrophobicContact CE1-CD2 3.95Å; F112-Y222 HydrophobicContact CZ-CD2 4.38Å; S218-Y222 WeakPolarHBondContact O-CB 3.29Å; S218-Y222 PolarHBondContact O-N 3.32Å; F219-Y222 PolarHBondContact O-N 2.68Å; Y222-Q225 PolarHBondContact O-N 3.35Å; Y222-L226 WeakPolarHBondContact O-CB 3.44Å; Y222-L226 PolarHBondContact O-N 3.47Å
223A65.8Low66.3Low2 Ų275.8 Ų75.82%0.01743%0.425CS..Hα-helixtrans-62.3-51.3175.700000113.6F196 F219 S220 L221 Q225 L226 V227F196-A223 HydrophobicContact CD1-CB 3.58Å; F196-A223 HydrophobicContact CD2-CB 3.81Å; F196-A223 HydrophobicContact CE1-CB 3.04Å; F196-A223 HydrophobicContact CE2-CB 3.33Å; F196-A223 HydrophobicContact CG-CB 3.94Å; F196-A223 HydrophobicContact CZ-CB 2.94Å; F219-A223 VanDerWaalsContact O-CB 3.3Å; F219-A223 WeakPolarHBondContact O-CB 3.37Å; F219-A223 PolarHBondContact O-N 3.44Å; S220-A223 WeakPolarHBondContact O-CB 3.36Å; L221-A223 VanDerWaalsContact C-N 3.27Å; L221-A223 PolarHBondContact O-N 3.13Å; A223-Q225 VanDerWaalsContact C-N 3.26Å; A223-Q225 PolarHBondContact O-N 3.48Å; A223-L226 WeakPolarHBondContact O-CB 3.18Å; A223-L226 PolarHBondContact O-N 3.4Å; A223-L226 VanDerWaalsContact O-N 3.16Å; A223-V227 WeakPolarHBondContact O-CG2 3.31Å; A223-V227 PolarHBondContact O-N 3.33Å
224I67.5Low67.1Low94 Ų9477 Ų7748%0.48243%0.432SS..Hα-helixtrans-60.5-43.5178-68.8164000108.8S220 L221 L226 V227 C228S220-I224 WeakPolarHBondContact O-CD1 3.27Å; S220-I224 WeakPolarHBondContact O-CG1 3.36Å; S220-I224 PolarHBondContact O-N 3.31Å; S220-I224 VanDerWaalsContact O-N 3.07Å; L221-I224 PolarHBondContact O-N 2.84Å; I224-L226 PolarHBondContact O-N 2.86Å; I224-V227 PolarHBondContact O-N 2.95Å; I224-C228 WeakPolarHBondContact O-CB 3.45Å; I224-C228 PolarHBondContact O-N 3.49Å; I224-C228 PolarHBondContact O-SG 3.32Å
225Q66.8Low67.7Low53 Ų5376.5 Ų76.525%0.24842%0.424CS..Hα-helixtrans-60.1-43.7175.2-175.4179.6-400112.2L221 Y222 A223 C228 R229L221-Q225 VanDerWaalsContact O-CB 3.3Å; L221-Q225 WeakPolarHBondContact O-CB 3.49Å; L221-Q225 PolarHBondContact O-N 2.93Å; Y222-Q225 PolarHBondContact O-N 3.35Å; A223-Q225 VanDerWaalsContact C-N 3.26Å; A223-Q225 PolarHBondContact O-N 3.48Å; Q225-C228 PolarHBondContact O-N 3.41Å; Q225-R229 VanDerWaalsContact O-CB 3.31Å; Q225-R229 WeakPolarHBondContact O-CB 3.44Å; Q225-R229 PolarHBondContact O-N 3.18Å
226L67.8Low68.6Low59 Ų5984.6 Ų84.631%0.30944%0.441SS..Hα-helixtrans-63.2-43.7178-177.565.6000111.9Y222 A223 I224 R229 N230Y222-L226 WeakPolarHBondContact O-CB 3.44Å; Y222-L226 PolarHBondContact O-N 3.47Å; A223-L226 WeakPolarHBondContact O-CB 3.18Å; A223-L226 PolarHBondContact O-N 3.4Å; A223-L226 VanDerWaalsContact O-N 3.16Å; I224-L226 PolarHBondContact O-N 2.86Å; L226-R229 PolarHBondContact O-N 3.21Å; L226-N230 WeakPolarHBondContact O-CB 3.45Å; L226-N230 PolarHBondContact O-N 3.17Å
227V66.3Low69.3Low64 Ų6489.2 Ų89.239%0.38845%0.451SS..Hα-helixtrans-66.4-47.5176.9174.30000110.4A223 I224 R229 N230 L231A223-V227 WeakPolarHBondContact O-CG2 3.31Å; A223-V227 PolarHBondContact O-N 3.33Å; I224-V227 PolarHBondContact O-N 2.95Å; V227-R229 VanDerWaalsContact C-N 3.29Å; V227-R229 PolarHBondContact O-N 2.93Å; V227-N230 CarbonylContact O-C 3.45Å; V227-N230 PolarHBondContact O-N 2.73Å; V227-L231 HydrophobicContact CG1-CD1 4.15Å; V227-L231 WeakPolarHBondContact O-CA 3.35Å; V227-L231 WeakPolarHBondContact O-CB 3.37Å; V227-L231 PolarHBondContact O-N 2.99Å
228C63.7Low70.4Confident89 Ų8984 Ų8460%0.60144%0.435SS*.Hα-helixtrans-58.9-39.7177.4-72.80000112.1I224 Q225I224-C228 WeakPolarHBondContact O-CB 3.45Å; I224-C228 PolarHBondContact O-N 3.49Å; I224-C228 PolarHBondContact O-SG 3.32Å; Q225-C228 PolarHBondContact O-N 3.41Å
229R66.7Low71.3Confident129 Ų12987.7 Ų87.749%0.48744%0.44SS..Hα-helixtrans-67.6-41178.2-173.1174.367.3178.9-0.4112.4E115 Q225 L226 V227E115-R229 IonicContact OE1-NH1 2.99Å; E115-R229 PolarHBondContact OE1-NH1 3Å; E115-R229 IonicContact OE2-NH1 3.99Å; Q225-R229 VanDerWaalsContact O-CB 3.31Å; Q225-R229 WeakPolarHBondContact O-CB 3.44Å; Q225-R229 PolarHBondContact O-N 3.18Å; L226-R229 PolarHBondContact O-N 3.21Å; V227-R229 VanDerWaalsContact C-N 3.29Å; V227-R229 PolarHBondContact O-N 2.93Å
230N70.9Confident72.2Confident59 Ų5992.5 Ų92.532%0.31646%0.463SS..Hα-helixtrans-95.31.3-175.7-64.9-16.7000113.3L226 V227 G232 V233 I234L226-N230 WeakPolarHBondContact O-CB 3.45Å; L226-N230 PolarHBondContact O-N 3.17Å; V227-N230 CarbonylContact O-C 3.45Å; V227-N230 PolarHBondContact O-N 2.73Å; N230-G232 VanDerWaalsContact C-N 3.28Å; N230-G232 PolarHBondContact O-N 2.05Å; N230-V233 PolarHBondContact O-N 3.5Å; N230-I234 HydrophobicContact CB-CD1 4.11Å; N230-I234 WeakPolarHBondContact O-CG1 3.32Å; N230-I234 PolarHBondContact O-N 3.34Å
231L68.6Low73.1Confident87 Ų8792.8 Ų92.846%0.45547%0.469SS..Hα-helixtrans-55.5-44-174.9-164.284.8000111.5V227 V233 I234 L235V227-L231 HydrophobicContact CG1-CD1 4.15Å; V227-L231 WeakPolarHBondContact O-CA 3.35Å; V227-L231 WeakPolarHBondContact O-CB 3.37Å; V227-L231 PolarHBondContact O-N 2.99Å; L231-V233 VanDerWaalsContact C-N 3.34Å; L231-V233 PolarHBondContact O-N 3.47Å; L231-I234 PolarHBondContact O-N 2.8Å; L231-L235 HydrophobicContact CG-CD1 4.42Å; L231-L235 WeakPolarHBondContact O-CB 3.48Å; L231-L235 PolarHBondContact O-N 2.93Å
232G70.7Confident73.9Confident55 Ų5590.5 Ų90.557%0.56746%0.461SS*.Hα-helixtrans-66.4-32.9179.300000113.7N230 R236N230-G232 VanDerWaalsContact C-N 3.28Å; N230-G232 PolarHBondContact O-N 2.05Å; G232-R236 VanDerWaalsContact O-CB 3.28Å; G232-R236 WeakPolarHBondContact O-CB 3.22Å; G232-R236 PolarHBondContact O-N 3.43Å
233V74.1Confident74.7Confident98 Ų9890.2 Ų90.259%0.59447%0.466SS*.Hα-helixtrans-72.9-44.1175.5179.70000109.9N230 L231 R236 E237N230-V233 PolarHBondContact O-N 3.5Å; L231-V233 VanDerWaalsContact C-N 3.34Å; L231-V233 PolarHBondContact O-N 3.47Å; V233-R236 PolarHBondContact O-N 3.28Å; V233-E237 VanDerWaalsContact O-CB 3.26Å; V233-E237 WeakPolarHBondContact O-CB 3.48Å; V233-E237 PolarHBondContact O-N 3.47Å
234I72.6Confident75.9Confident73 Ų7391.8 Ų91.837%0.37448%0.483SS..Hα-helixtrans-63.6-43.6178.5-64.5164.3000111N230 L231 R236 H238N230-I234 HydrophobicContact CB-CD1 4.11Å; N230-I234 WeakPolarHBondContact O-CG1 3.32Å; N230-I234 PolarHBondContact O-N 3.34Å; L231-I234 PolarHBondContact O-N 2.8Å; I234-R236 VanDerWaalsContact C-N 3.32Å; I234-R236 PolarHBondContact O-N 3.22Å; I234-H238 CarbonylContact O-C 3.57Å; I234-H238 WeakPolarHBondContact O-CA 3.27Å; I234-H238 WeakPolarHBondContact O-CB 3.33Å; I234-H238 PolarHBondContact O-N 3.27Å
235L72.4Confident77Confident102 Ų10289.9 Ų89.953%0.53447%0.47SS..Hα-helixtrans-67.8-30.4178.8-113.171.2000113L231 W239 A242L231-L235 HydrophobicContact CG-CD1 4.42Å; L231-L235 WeakPolarHBondContact O-CB 3.48Å; L231-L235 PolarHBondContact O-N 2.93Å; L235-W239 WeakPolarHBondContact O-CA 3.47Å; L235-W239 WeakPolarHBondContact O-CB 3.46Å; L235-A242 HydrophobicContact CD1-CB 4.44Å
236R77.9Confident78.1Confident217 Ų21791.2 Ų91.282%0.81948%0.481SS*.Hα-helixtrans-87.6-44.4-176.8-168175-176.2171.70.8112.5G232 V233 I234G232-R236 VanDerWaalsContact O-CB 3.28Å; G232-R236 WeakPolarHBondContact O-CB 3.22Å; G232-R236 PolarHBondContact O-N 3.43Å; V233-R236 PolarHBondContact O-N 3.28Å; I234-R236 VanDerWaalsContact C-N 3.32Å; I234-R236 PolarHBondContact O-N 3.22Å
237E84.5Confident79.3Confident141 Ų14192.5 Ų92.566%0.65949%0.492SS*.Hα-helixtrans-82.7-32.3-176.5-160.466.6-157.100112.1V233V233-E237 VanDerWaalsContact O-CB 3.26Å; V233-E237 WeakPolarHBondContact O-CB 3.48Å; V233-E237 PolarHBondContact O-N 3.47Å
238H83.2Confident80.6Confident115 Ų11593.6 Ų93.653%0.53250%0.499SS..SBendtrans-126.438.9-173.9-60.5-51.2000113.1I234 H240 A241 A242I234-H238 CarbonylContact O-C 3.57Å; I234-H238 WeakPolarHBondContact O-CA 3.27Å; I234-H238 WeakPolarHBondContact O-CB 3.33Å; I234-H238 PolarHBondContact O-N 3.27Å; H238-H240 PolarHBondContact O-N 3.11Å; H238-A241 HydrophobicContact CB-CB 4.37Å; H238-A241 PolarHBondContact O-N 3.47Å; H238-A242 PolarHBondContact O-N 3.49Å; H238-A242 VanDerWaalsContact O-N 3.14Å
239W84.1Confident82Confident136 Ų13690.4 Ų90.452%0.51548%0.476SS..Hα-helixtrans-56-35.3-177.479-92000113.6L235 A242 L243L235-W239 WeakPolarHBondContact O-CA 3.47Å; L235-W239 WeakPolarHBondContact O-CB 3.46Å; W239-A242 PolarHBondContact O-N 3.4Å; W239-L243 HydrophobicContact CZ3-CD2 4.02Å; W239-L243 WeakPolarHBondContact O-CB 3.13Å; W239-L243 PolarHBondContact O-N 3.38Å
240H87.9Confident83.3Confident129 Ų12985 Ų8560%0.59746%0.46SS*.Hα-helixtrans-63.2-40.9176.6-64.3-73.7000112.9H238 L243 G244H238-H240 PolarHBondContact O-N 3.11Å; H240-L243 PolarHBondContact O-N 3.45Å; H240-G244 PolarHBondContact O-N 2.88Å
241A85.3Confident84.4Confident68 Ų6889.2 Ų89.256%0.56248%0.476SS*.Hα-helixtrans-69.7-3917800000110.9H238 G244 Y245H238-A241 HydrophobicContact CB-CB 4.37Å; H238-A241 PolarHBondContact O-N 3.47Å; A241-G244 PolarHBondContact O-N 2.67Å; A241-Y245 WeakPolarHBondContact O-CB 3.09Å; A241-Y245 PolarHBondContact O-N 3.15Å
242A84.5Confident85.6Confident28 Ų2889.8 Ų89.823%0.23148%0.478CS..Hα-helixtrans-62.1-43.2173.400000111.7L235 H238 W239 Y245 V246L235-A242 HydrophobicContact CD1-CB 4.44Å; H238-A242 PolarHBondContact O-N 3.49Å; H238-A242 VanDerWaalsContact O-N 3.14Å; W239-A242 PolarHBondContact O-N 3.4Å; A242-Y245 WeakPolarHBondContact O-CB 3.46Å; A242-Y245 PolarHBondContact O-N 3.12Å; A242-V246 VanDerWaalsContact O-CG2 3.3Å; A242-V246 WeakPolarHBondContact O-CG2 3.34Å; A242-V246 PolarHBondContact O-N 3.05Å
243L88.2Confident86.7Confident96 Ų9687.8 Ų87.850%0.50346%0.456SS..Hα-helixtrans-64.1-44.3176.5-173.272.1000111.9W239 H240 Y245 V246 T247W239-L243 HydrophobicContact CZ3-CD2 4.02Å; W239-L243 WeakPolarHBondContact O-CB 3.13Å; W239-L243 PolarHBondContact O-N 3.38Å; H240-L243 PolarHBondContact O-N 3.45Å; L243-Y245 VanDerWaalsContact C-N 3.33Å; L243-Y245 PolarHBondContact O-N 3.46Å; L243-V246 PolarHBondContact O-N 2.64Å; L243-T247 WeakPolarHBondContact O-CB 3.24Å; L243-T247 PolarHBondContact O-N 3.14Å; L243-T247 PolarHBondContact O-OG1 3.42Å
244G91.1Very high87.6Confident35 Ų3587 Ų8736%0.36144%0.444SS..Hα-helixtrans-59.9-43.5175.800000112H240 A241 T247 V248H240-G244 PolarHBondContact O-N 2.88Å; A241-G244 PolarHBondContact O-N 2.67Å; G244-T247 PolarHBondContact O-N 3.3Å; G244-V248 WeakPolarHBondContact O-CB 3.32Å; G244-V248 WeakPolarHBondContact O-CG2 3.27Å; G244-V248 PolarHBondContact O-N 2.93Å
245Y89.5Confident88.6Confident54 Ų5485.7 Ų85.721%0.21245%0.445CS..Hα-helixtrans-59-53.2174.5179.4-94.9000111.8M188 S191 L192 L195 A241 A242 L243 T247 V248 V249M188-Y245 HydrophobicContact CE-CD1 3.69Å; M188-Y245 HydrophobicContact CE-CE1 3.42Å; M188-Y245 VanDerWaalsContact CE-CE1 3.42Å; M188-Y245 PolarHBondContact O-OH 3.47Å; M188-Y245 HydrophobicContact SD-CE1 4.32Å; S191-Y245 WeakPolarHBondContact CB-OH 3.21Å; S191-Y245 PolarHBondContact OG-OH 3.23Å; L192-Y245 WeakPolarHBondContact CA-OH 3.43Å; L192-Y245 HydrophobicContact CD1-CE1 4.4Å; L192-Y245 HydrophobicContact CD2-CD1 4.29Å; L192-Y245 HydrophobicContact CD2-CE1 3.47Å; L192-Y245 VanDerWaalsContact CD2-CE1 3.47Å; L192-Y245 HydrophobicContact CD2-CE2 4.06Å; L192-Y245 WeakPolarHBondContact CD2-OH 3.3Å; L192-Y245 HydrophobicContact CG-CE1 3.73Å; L192-Y245 WeakPolarHBondContact CG-OH 3.02Å; L192-Y245 PolarHBondContact N-OH 2.82Å; L195-Y245 HydrophobicContact CD2-CE2 4.37Å; A241-Y245 WeakPolarHBondContact O-CB 3.09Å; A241-Y245 PolarHBondContact O-N 3.15Å; A242-Y245 WeakPolarHBondContact O-CB 3.46Å; A242-Y245 PolarHBondContact O-N 3.12Å; L243-Y245 VanDerWaalsContact C-N 3.33Å; L243-Y245 PolarHBondContact O-N 3.46Å; Y245-T247 VanDerWaalsContact C-N 3.26Å; Y245-T247 PolarHBondContact O-N 2.87Å; Y245-V248 PolarHBondContact O-N 3.45Å; Y245-V249 HydrophobicContact CD2-CG2 3.8Å; Y245-V249 HydrophobicContact CE1-CB 4.48Å; Y245-V249 HydrophobicContact CE1-CG2 4.43Å; Y245-V249 HydrophobicContact CE2-CB 4.42Å; Y245-V249 HydrophobicContact CE2-CG2 3.55Å; Y245-V249 HydrophobicContact CG-CG2 4.34Å; Y245-V249 VanDerWaalsContact O-CB 3.22Å; Y245-V249 WeakPolarHBondContact O-CB 3.45Å; Y245-V249 WeakPolarHBondContact O-CG2 3.21Å; Y245-V249 PolarHBondContact O-N 3.36Å
246V90.4Very high89.6Confident81 Ų8184.2 Ų84.249%0.49144%0.44SS..Hα-helixtrans-58.5-39.9179.6173.50000111.8M188 A242 L243 G250M188-V246 HydrophobicContact CE-CB 4.11Å; M188-V246 HydrophobicContact CE-CG1 4.36Å; M188-V246 HydrophobicContact CE-CG2 3.77Å; A242-V246 VanDerWaalsContact O-CG2 3.3Å; A242-V246 WeakPolarHBondContact O-CG2 3.34Å; A242-V246 PolarHBondContact O-N 3.05Å; L243-V246 PolarHBondContact O-N 2.64Å; V246-G250 WeakPolarHBondContact O-CA 3.36Å; V246-G250 PolarHBondContact O-N 3.29Å
247T92.2Very high90.2Very high87 Ų8774.8 Ų74.853%0.53441%0.407SS..Hα-helixtrans-71.2-51.7-178.7-52.20000111.6L243 G244 Y245 F251L243-T247 WeakPolarHBondContact O-CB 3.24Å; L243-T247 PolarHBondContact O-N 3.14Å; L243-T247 PolarHBondContact O-OG1 3.42Å; G244-T247 PolarHBondContact O-N 3.3Å; Y245-T247 VanDerWaalsContact C-N 3.26Å; Y245-T247 PolarHBondContact O-N 2.87Å; T247-F251 VanDerWaalsContact O-CB 3.22Å; T247-F251 WeakPolarHBondContact O-CB 3.3Å; T247-F251 PolarHBondContact O-N 2.88Å
248V93.5Very high90.5Very high87 Ų8775.6 Ų75.653%0.52741%0.405SS..Hα-helixtrans-67.7-50-175.9173.30000110.8G244 Y245 F251 I252G244-V248 WeakPolarHBondContact O-CB 3.32Å; G244-V248 WeakPolarHBondContact O-CG2 3.27Å; G244-V248 PolarHBondContact O-N 2.93Å; Y245-V248 PolarHBondContact O-N 3.45Å; V248-F251 PolarHBondContact O-N 3.04Å; V248-I252 HydrophobicContact CG1-CD1 3.86Å; V248-I252 VanDerWaalsContact O-CG1 3.27Å; V248-I252 WeakPolarHBondContact O-CG1 3.08Å; V248-I252 PolarHBondContact O-N 2.9Å
249V93.9Very high91Very high22 Ų2280.8 Ų80.813%0.13342%0.42CS..Hα-helixtrans-72.4-35.9-178177.50000111.2M188 S191 Y245 F251 I252 S253M188-V249 HydrophobicContact SD-CB 3.61Å; M188-V249 HydrophobicContact SD-CG1 3.44Å; M188-V249 WeakPolarHBondContact SD-CG1 3.39Å; S191-V249 WeakPolarHBondContact OG-CG1 3.42Å; Y245-V249 HydrophobicContact CD2-CG2 3.8Å; Y245-V249 HydrophobicContact CE1-CB 4.48Å; Y245-V249 HydrophobicContact CE1-CG2 4.43Å; Y245-V249 HydrophobicContact CE2-CB 4.42Å; Y245-V249 HydrophobicContact CE2-CG2 3.55Å; Y245-V249 HydrophobicContact CG-CG2 4.34Å; Y245-V249 VanDerWaalsContact O-CB 3.22Å; Y245-V249 WeakPolarHBondContact O-CB 3.45Å; Y245-V249 WeakPolarHBondContact O-CG2 3.21Å; Y245-V249 PolarHBondContact O-N 3.36Å; V249-F251 VanDerWaalsContact C-N 3.34Å; V249-I252 PolarHBondContact O-N 3.21Å; V249-S253 VanDerWaalsContact O-CB 3.27Å; V249-S253 WeakPolarHBondContact O-CB 3.32Å; V249-S253 PolarHBondContact O-N 3.33Å; V249-S253 PolarHBondContact O-OG 3.11Å
250G93.1Very high91.1Very high14 Ų1483.4 Ų83.414%0.14443%0.431CS..Hα-helixtrans-59.9-45.6171.900000111.2M188 V246 S253 F254M188-G250 PolarHBondContact SD-N 3.41Å; M188-G250 VanDerWaalsContact SD-N 3.41Å; V246-G250 WeakPolarHBondContact O-CA 3.36Å; V246-G250 PolarHBondContact O-N 3.29Å; G250-S253 PolarHBondContact O-N 3.47Å; G250-F254 WeakPolarHBondContact O-CB 3.44Å; G250-F254 PolarHBondContact O-N 3.32Å
251F93.9Very high91Very high149 Ų14978.1 Ų78.165%0.65441%0.412SS*.Hα-helixtrans-65-43.6177.4-173.5-97.7000112.8T247 V248 V249 F254 A255T247-F251 VanDerWaalsContact O-CB 3.22Å; T247-F251 WeakPolarHBondContact O-CB 3.3Å; T247-F251 PolarHBondContact O-N 2.88Å; V248-F251 PolarHBondContact O-N 3.04Å; V249-F251 VanDerWaalsContact C-N 3.34Å; F251-F254 PolarHBondContact O-N 3.16Å; F251-A255 WeakPolarHBondContact O-CB 3.27Å; F251-A255 PolarHBondContact O-N 3.05Å
252I94.1Very high90.9Very high98 Ų9876.8 Ų76.850%0.50340%0.398SS..Hα-helixtrans-61.7-46.3175.3-67.1164.9000110.2V248 V249 F254 A255 V256V248-I252 HydrophobicContact CG1-CD1 3.86Å; V248-I252 VanDerWaalsContact O-CG1 3.27Å; V248-I252 WeakPolarHBondContact O-CG1 3.08Å; V248-I252 PolarHBondContact O-N 2.9Å; V249-I252 PolarHBondContact O-N 3.21Å; I252-F254 VanDerWaalsContact C-N 3.31Å; I252-F254 PolarHBondContact O-N 3.21Å; I252-A255 PolarHBondContact O-N 3.17Å; I252-V256 VanDerWaalsContact O-CG2 3.3Å; I252-V256 WeakPolarHBondContact O-CG2 3.49Å; I252-V256 PolarHBondContact O-N 3.28Å
253S94.5Very high90.7Very high14 Ų1478.2 Ų78.210%0.09840%0.401CS..Hα-helixtrans-62.2-41.1178.7-56.70000111V249 G250 V256 C257V249-S253 VanDerWaalsContact O-CB 3.27Å; V249-S253 WeakPolarHBondContact O-CB 3.32Å; V249-S253 PolarHBondContact O-N 3.33Å; V249-S253 PolarHBondContact O-OG 3.11Å; G250-S253 PolarHBondContact O-N 3.47Å; S253-V256 PolarHBondContact O-N 2.92Å; S253-C257 WeakPolarHBondContact O-CB 3.39Å; S253-C257 PolarHBondContact O-N 2.92Å; S253-C257 PolarHBondContact O-SG 3.36Å
254F93.3Very high90.3Very high80 Ų8079.5 Ų79.535%0.35141%0.412SS..Hα-helixtrans-61.3-47.7174.4-179.5-103.1000112M184 G250 F251 I252 V256 C257 Y258M184-F254 HydrophobicContact CE-CD2 4.32Å; M184-F254 HydrophobicContact CG-CB 4.04Å; M184-F254 HydrophobicContact CG-CD2 4.42Å; M184-F254 HydrophobicContact SD-CB 3.77Å; M184-F254 HydrophobicContact SD-CD2 3.76Å; M184-F254 HydrophobicContact SD-CG 4.18Å; G250-F254 WeakPolarHBondContact O-CB 3.44Å; G250-F254 PolarHBondContact O-N 3.32Å; F251-F254 PolarHBondContact O-N 3.16Å; I252-F254 VanDerWaalsContact C-N 3.31Å; I252-F254 PolarHBondContact O-N 3.21Å; F254-V256 VanDerWaalsContact C-N 3.29Å; F254-V256 PolarHBondContact O-N 3.43Å; F254-C257 PolarHBondContact O-N 2.81Å; F254-Y258 HydrophobicContact CZ-CD2 4.41Å; F254-Y258 VanDerWaalsContact O-CB 3.27Å; F254-Y258 WeakPolarHBondContact O-CB 2.89Å; F254-Y258 PolarHBondContact O-N 3.31Å
255A93Very high90.1Very high47 Ų4783.3 Ų83.339%0.38843%0.425SS..Hα-helixtrans-60.9-39.7179.100000112.1F251 I252 R259F251-A255 WeakPolarHBondContact O-CB 3.27Å; F251-A255 PolarHBondContact O-N 3.05Å; I252-A255 PolarHBondContact O-N 3.17Å; A255-R259 WeakPolarHBondContact O-CB 3.49Å; A255-R259 PolarHBondContact O-N 3.27Å
256V92.9Very high90Very high70 Ų7088.2 Ų88.242%0.42445%0.45SS..Hα-helixtrans-65.1-50.9175174.80000110.4I252 S253 F254 Y258 R259 Y260I252-V256 VanDerWaalsContact O-CG2 3.3Å; I252-V256 WeakPolarHBondContact O-CG2 3.49Å; I252-V256 PolarHBondContact O-N 3.28Å; S253-V256 PolarHBondContact O-N 2.92Å; F254-V256 VanDerWaalsContact C-N 3.29Å; F254-V256 PolarHBondContact O-N 3.43Å; V256-Y258 VanDerWaalsContact C-N 3.29Å; V256-Y258 PolarHBondContact O-N 3.48Å; V256-R259 PolarHBondContact O-N 2.92Å; V256-R259 VanDerWaalsContact O-N 3.16Å; V256-Y260 HydrophobicContact CG1-CD2 3.78Å; V256-Y260 HydrophobicContact CG1-CE2 3.54Å; V256-Y260 WeakPolarHBondContact O-CD2 3.37Å; V256-Y260 PolarHBondContact O-N 2.93Å; V256-Y260 VanDerWaalsContact O-N 3.12Å
257C90.9Very high89.9Confident19 Ų1992.2 Ų92.213%0.12846%0.46CS..Hα-helixtrans-61.1-36.4177.5-69.20000112.8Y180 S253 F254 Y260 G261Y180-C257 HydrophobicContact CD1-CB 4.13Å; S253-C257 WeakPolarHBondContact O-CB 3.39Å; S253-C257 PolarHBondContact O-N 2.92Å; S253-C257 PolarHBondContact O-SG 3.36Å; F254-C257 PolarHBondContact O-N 2.81Å; C257-Y260 PolarHBondContact O-N 3.48Å; C257-G261 PolarHBondContact O-N 3.5Å; C257-G261 VanDerWaalsContact O-N 3.12Å
258Y91.4Very high89.7Confident158 Ų15889.3 Ų89.362%0.6244%0.443SS*.Hα-helixtrans-65.3-39.1175.9-171.9-96.5000111.9F254 V256 G261F254-Y258 HydrophobicContact CZ-CD2 4.41Å; F254-Y258 VanDerWaalsContact O-CB 3.27Å; F254-Y258 WeakPolarHBondContact O-CB 2.89Å; F254-Y258 PolarHBondContact O-N 3.31Å; V256-Y258 VanDerWaalsContact C-N 3.29Å; V256-Y258 PolarHBondContact O-N 3.48Å; Y258-G261 PolarHBondContact O-N 2.94Å
259R92.4Very high89.5Confident224 Ų22486.3 Ų86.385%0.84542%0.424SS*.Hα-helixtrans-67.2-38.5176.8-174.8179.1179.4111.51112.9A255 V256 G261A255-R259 WeakPolarHBondContact O-CB 3.49Å; A255-R259 PolarHBondContact O-N 3.27Å; V256-R259 PolarHBondContact O-N 2.92Å; V256-R259 VanDerWaalsContact O-N 3.16Å; R259-G261 VanDerWaalsContact C-N 3.33Å
260Y87.3Confident89.3Confident191 Ų19189.3 Ų89.375%0.74944%0.439SS*.Hα-helixtrans-72.3-28.5177.3-77.2-71.7000112.6V256 C257V256-Y260 HydrophobicContact CG1-CD2 3.78Å; V256-Y260 HydrophobicContact CG1-CE2 3.54Å; V256-Y260 WeakPolarHBondContact O-CD2 3.37Å; V256-Y260 PolarHBondContact O-N 2.93Å; V256-Y260 VanDerWaalsContact O-N 3.12Å; C257-Y260 PolarHBondContact O-N 3.48Å
261G84.6Confident89.2Confident19 Ų1993 Ų9320%0.19646%0.455CS..  trans77.8162.6-179.900000113.2F179 C257 Y258 R259F179-G261 WeakPolarHBondContact CE1-O 3.26Å; F179-G261 VanDerWaalsContact CZ-O 3.27Å; F179-G261 WeakPolarHBondContact CZ-O 3.29Å; C257-G261 PolarHBondContact O-N 3.5Å; C257-G261 VanDerWaalsContact O-N 3.12Å; Y258-G261 PolarHBondContact O-N 2.94Å; R259-G261 VanDerWaalsContact C-N 3.33Å
262P84.6Confident89Confident40 Ų4087.9 Ų87.926%0.2643%0.434SS..  trans-70.3157.9178.630.9-33.1000111.3Q176 F179 V264Q176-P262 HydrophobicContact CG-CB 4.35Å; F179-P262 HydrophobicContact CD1-CB 4.29Å; P262-V264 PolarHBondContact O-N 2.95Å
263L79Confident88.8Confident57 Ų5783.5 Ų83.530%0.29841%0.412SS..  trans-62.9116.8177.6-61.5120.6000110.4F179 S268 I269 L272F179-L263 HydrophobicContact CD2-CD1 3.23Å; F179-L263 HydrophobicContact CD2-CG 4.08Å; F179-L263 HydrophobicContact CE2-CD1 3.46Å; F179-L263 VanDerWaalsContact CE2-CD1 3.46Å; F179-L263 HydrophobicContact CE2-CG 3.85Å; F179-L263 HydrophobicContact CG-CD1 4.22Å; L263-S268 VanDerWaalsContact CD2-OG 3.28Å; L263-S268 WeakPolarHBondContact CD2-OG 3.34Å; L263-I269 HydrophobicContact CB-CG1 4.11Å; L263-L272 HydrophobicContact CD1-CD2 3.71Å
264V81.4Confident88.7Confident123 Ų12391 Ų9175%0.74544%0.439SS*.  trans-97.6-33.6177-1760000111.3P262 E266P262-V264 PolarHBondContact O-N 2.95Å; V264-E266 PolarHBondContact O-N 3.23Å
265D85.6Confident88.7Confident115 Ų11590.6 Ų90.662%0.61544%0.443SS*.  trans-72.2125.5-175.4-59.5-37.6000111.5K267 S268 I269D265-K267 PolarHBondContact O-N 3.26Å; D265-K267 VanDerWaalsContact O-N 3.16Å; D265-S268 WeakPolarHBondContact O-CB 3.4Å; D265-S268 PolarHBondContact O-N 3.16Å; D265-S268 PolarHBondContact O-OG 3.41Å; D265-I269 PolarHBondContact O-N 3.2Å; D265-I269 VanDerWaalsContact O-N 3.08Å
266E88.1Confident88.6Confident158 Ų15889.2 Ų89.274%0.73843%0.429SS*.Hα-helixtrans-55.1-36.8177-68.9-172.5162.100112.7V264 S268 I269 N270V264-E266 PolarHBondContact O-N 3.23Å; E266-S268 VanDerWaalsContact C-N 3.3Å; E266-S268 PolarHBondContact O-N 3.1Å; E266-I269 PolarHBondContact O-N 3.18Å; E266-N270 WeakPolarHBondContact O-CB 3.43Å; E266-N270 PolarHBondContact O-N 3.27Å
267K89.1Confident88.6Confident164 Ų16486.8 Ų86.871%0.71341%0.413SS*.Hα-helixtrans-59.5-42175.9-175.6178.8179-178.80111.6D265 N270 I271D265-K267 PolarHBondContact O-N 3.26Å; D265-K267 VanDerWaalsContact O-N 3.16Å; K267-N270 PolarHBondContact O-N 2.91Å; K267-I271 HydrophobicContact CG-CD1 4.13Å; K267-I271 VanDerWaalsContact O-CG1 3.26Å; K267-I271 WeakPolarHBondContact O-CG1 3.24Å; K267-I271 PolarHBondContact O-N 3.4Å
268S87Confident88.7Confident26 Ų2691.8 Ų91.818%0.18244%0.437CS..Hα-helixtrans-72.5-38-178.873.90000112L263 D265 E266 N270 I271 L272L263-S268 VanDerWaalsContact CD2-OG 3.28Å; L263-S268 WeakPolarHBondContact CD2-OG 3.34Å; D265-S268 WeakPolarHBondContact O-CB 3.4Å; D265-S268 PolarHBondContact O-N 3.16Å; D265-S268 PolarHBondContact O-OG 3.41Å; E266-S268 VanDerWaalsContact C-N 3.3Å; E266-S268 PolarHBondContact O-N 3.1Å; S268-N270 VanDerWaalsContact C-N 3.34Å; S268-I271 PolarHBondContact O-N 2.79Å; S268-L272 WeakPolarHBondContact O-CB 3.38Å; S268-L272 PolarHBondContact O-N 3.43Å
269I88.6Confident88.8Confident25 Ų2589.2 Ų89.213%0.12843%0.43CS..Hα-helixtrans-63.1-42173-64.2171.1000110.6R174 L263 D265 E266 L272 S273R174-I269 HydrophobicContact CG-CG2 3.79Å; L263-I269 HydrophobicContact CB-CG1 4.11Å; D265-I269 PolarHBondContact O-N 3.2Å; D265-I269 VanDerWaalsContact O-N 3.08Å; E266-I269 PolarHBondContact O-N 3.18Å; I269-L272 PolarHBondContact O-N 3.43Å; I269-S273 WeakPolarHBondContact O-CB 3.45Å; I269-S273 PolarHBondContact O-N 3.31Å
270N89.8Confident88.8Confident84 Ų8478.6 Ų78.645%0.44939%0.39SS..Hα-helixtrans-63.8-50.6175.7-78.2-7.9000110.6E266 K267 S268 L272 S273 W274E266-N270 WeakPolarHBondContact O-CB 3.43Å; E266-N270 PolarHBondContact O-N 3.27Å; K267-N270 PolarHBondContact O-N 2.91Å; S268-N270 VanDerWaalsContact C-N 3.34Å; N270-L272 VanDerWaalsContact C-N 3.25Å; N270-L272 PolarHBondContact O-N 3.26Å; N270-S273 WeakPolarHBondContact O-CA 3.33Å; N270-S273 WeakPolarHBondContact O-CB 3.28Å; N270-S273 PolarHBondContact O-N 3.15Å; N270-W274 PolarHBondContact O-N 3.41Å
271I90.9Very high89Confident93 Ų9370.7 Ų70.748%0.47736%0.36SS..Hα-helixtrans-53.9-44.8177-68.9163.8000110.9K267 S268 W274 T275K267-I271 HydrophobicContact CG-CD1 4.13Å; K267-I271 VanDerWaalsContact O-CG1 3.26Å; K267-I271 WeakPolarHBondContact O-CG1 3.24Å; K267-I271 PolarHBondContact O-N 3.4Å; S268-I271 PolarHBondContact O-N 2.79Å; I271-W274 PolarHBondContact O-N 2.7Å; I271-T275 HydrophobicContact CG2-CG2 4.44Å; I271-T275 WeakPolarHBondContact O-CG2 3.33Å; I271-T275 PolarHBondContact O-N 2.89Å; I271-T275 PolarHBondContact O-OG1 3.49Å
272L90.1Very high89.3Confident41 Ų4173.8 Ų73.822%0.21537%0.372CS..Hα-helixtrans-63.7-39.7176.8-176.963.4000112.5L263 S268 I269 N270 T275 L276L263-L272 HydrophobicContact CD1-CD2 3.71Å; S268-L272 WeakPolarHBondContact O-CB 3.38Å; S268-L272 PolarHBondContact O-N 3.43Å; I269-L272 PolarHBondContact O-N 3.43Å; N270-L272 VanDerWaalsContact C-N 3.25Å; N270-L272 PolarHBondContact O-N 3.26Å; L272-T275 WeakPolarHBondContact CA-OG1 3.48Å; L272-T275 PolarHBondContact O-N 2.97Å; L272-T275 PolarHBondContact O-OG1 3.19Å; L272-L276 HydrophobicContact CD1-CD1 4.44Å; L272-L276 HydrophobicContact CD1-CG 4.41Å; L272-L276 HydrophobicContact CG-CD1 4.12Å; L272-L276 WeakPolarHBondContact O-CB 3.42Å; L272-L276 VanDerWaalsContact O-CG 3.24Å; L272-L276 WeakPolarHBondContact O-CG 3.43Å; L272-L276 PolarHBondContact O-N 2.9Å
273S91.1Very high89.5Confident6 Ų673.4 Ų73.44%0.04237%0.367CS..Hα-helixtrans-60.8-47.8173.6175.40000111.2E170 I269 N270 T275 L276 Q277E170-S273 VanDerWaalsContact CG-OG 3.26Å; E170-S273 WeakPolarHBondContact CG-OG 3.45Å; I269-S273 WeakPolarHBondContact O-CB 3.45Å; I269-S273 PolarHBondContact O-N 3.31Å; N270-S273 WeakPolarHBondContact O-CA 3.33Å; N270-S273 WeakPolarHBondContact O-CB 3.28Å; N270-S273 PolarHBondContact O-N 3.15Å; S273-T275 PolarHBondContact O-N 3.4Å; S273-L276 PolarHBondContact O-N 3.29Å; S273-Q277 WeakPolarHBondContact O-CB 3.41Å; S273-Q277 WeakPolarHBondContact O-CG 3.19Å; S273-Q277 PolarHBondContact O-N 2.94Å; S273-Q277 PolarHBondContact OG-NE2 3.27Å; S273-Q277 VanDerWaalsContact OG-NE2 3.11Å
274W92Very high90Very high172 Ų17270.8 Ų70.865%0.65235%0.354SS*.Hα-helixtrans-61.9-40.7177.9-72.6101.2000112.3N270 I271 Q277 L278N270-W274 PolarHBondContact O-N 3.41Å; I271-W274 PolarHBondContact O-N 2.7Å; W274-Q277 PolarHBondContact O-N 3.28Å; W274-L278 WeakPolarHBondContact O-CB 3.45Å; W274-L278 PolarHBondContact O-N 3.46Å
275T93.1Very high90.3Very high70 Ų7068.8 Ų68.843%0.42933%0.333SS..Hα-helixtrans-68.4-40.3177.857.40000111.9I271 L272 S273 L278 F279I271-T275 HydrophobicContact CG2-CG2 4.44Å; I271-T275 WeakPolarHBondContact O-CG2 3.33Å; I271-T275 PolarHBondContact O-N 2.89Å; I271-T275 PolarHBondContact O-OG1 3.49Å; L272-T275 WeakPolarHBondContact CA-OG1 3.48Å; L272-T275 PolarHBondContact O-N 2.97Å; L272-T275 PolarHBondContact O-OG1 3.19Å; S273-T275 PolarHBondContact O-N 3.4Å; T275-L278 PolarHBondContact O-N 3.33Å; T275-F279 WeakPolarHBondContact O-CB 3.44Å; T275-F279 PolarHBondContact O-N 3.29Å
276L91.7Very high90.2Very high18 Ų1868.1 Ų68.19%0.09433%0.329CS..Hα-helixtrans-62-46.6172.6-72.9170.8000110.8L165 A169 L172 F178 L272 S273 L278 F279 G280L165-L276 VanDerWaalsContact CD2-C 3.5Å; L165-L276 HydrophobicContact CD2-CB 3.82Å; L165-L276 HydrophobicContact CD2-CD2 4.09Å; L165-L276 WeakPolarHBondContact CD2-O 3.45Å; A169-L276 HydrophobicContact CB-CB 3.94Å; L172-L276 HydrophobicContact CB-CD1 4.36Å; F178-L276 HydrophobicContact CE1-CD1 3.77Å; F178-L276 HydrophobicContact CE1-CD2 4.07Å; F178-L276 HydrophobicContact CE1-CG 4.48Å; F178-L276 HydrophobicContact CZ-CD1 4.12Å; F178-L276 HydrophobicContact CZ-CD2 3.69Å; L272-L276 HydrophobicContact CD1-CD1 4.44Å; L272-L276 HydrophobicContact CD1-CG 4.41Å; L272-L276 HydrophobicContact CG-CD1 4.12Å; L272-L276 WeakPolarHBondContact O-CB 3.42Å; L272-L276 VanDerWaalsContact O-CG 3.24Å; L272-L276 WeakPolarHBondContact O-CG 3.43Å; L272-L276 PolarHBondContact O-N 2.9Å; S273-L276 PolarHBondContact O-N 3.29Å; L276-L278 PolarHBondContact O-N 3.49Å; L276-F279 CarbonylContact O-C 3.6Å; L276-F279 PolarHBondContact O-N 3.16Å; L276-G280 PolarHBondContact O-N 2.95Å
277Q92.6Very high89.9Confident20 Ų2060.6 Ų60.69%0.09329%0.294CS..Hα-helixtrans-59.4-46.5176.9-71.7173.717.900111.8F166 A169 E170 S273 W274 F279 G280 L281F166-Q277 HydrophobicContact CD2-CB 4.01Å; F166-Q277 HydrophobicContact CD2-CG 4.2Å; F166-Q277 HydrophobicContact CE2-CB 4.1Å; F166-Q277 HydrophobicContact CE2-CG 4.29Å; A169-Q277 HydrophobicContact CB-CG 3.52Å; E170-Q277 PolarHBondContact OE1-NE2 2.92Å; S273-Q277 WeakPolarHBondContact O-CB 3.41Å; S273-Q277 WeakPolarHBondContact O-CG 3.19Å; S273-Q277 PolarHBondContact O-N 2.94Å; S273-Q277 PolarHBondContact OG-NE2 3.27Å; S273-Q277 VanDerWaalsContact OG-NE2 3.11Å; W274-Q277 PolarHBondContact O-N 3.28Å; Q277-F279 VanDerWaalsContact C-N 3.29Å; Q277-F279 PolarHBondContact O-N 3.31Å; Q277-G280 PolarHBondContact O-N 3.4Å; Q277-L281 WeakPolarHBondContact O-CG 3.35Å; Q277-L281 PolarHBondContact O-N 2.96Å
278L93.3Very high89.5Confident123 Ų12353.2 Ų53.264%0.64426%0.262SS*.Hα-helixtrans-59.4-42.4176.4-17865.8000111.4W274 T275 L276 L281 L282W274-L278 WeakPolarHBondContact O-CB 3.45Å; W274-L278 PolarHBondContact O-N 3.46Å; T275-L278 PolarHBondContact O-N 3.33Å; L276-L278 PolarHBondContact O-N 3.49Å; L278-L281 PolarHBondContact O-N 3.03Å; L278-L282 PolarHBondContact O-N 3.01Å
279F92.4Very high88.8Confident105 Ų10554.1 Ų54.146%0.46126%0.264SS..Hα-helixtrans-66.8-39.2176.8-171.2-107.5000112.2L165 T275 L276 Q277 L282 L283L165-F279 HydrophobicContact CD1-CD1 3.81Å; L165-F279 HydrophobicContact CD1-CE1 4.26Å; T275-F279 WeakPolarHBondContact O-CB 3.44Å; T275-F279 PolarHBondContact O-N 3.29Å; L276-F279 CarbonylContact O-C 3.6Å; L276-F279 PolarHBondContact O-N 3.16Å; Q277-F279 VanDerWaalsContact C-N 3.29Å; Q277-F279 PolarHBondContact O-N 3.31Å; F279-L282 HydrophobicContact CD2-CD2 4.45Å; F279-L282 WeakPolarHBondContact O-CB 3.21Å; F279-L282 PolarHBondContact O-N 2.89Å; F279-L283 HydrophobicContact CD1-CD1 3.98Å; F279-L283 HydrophobicContact CD1-CG 4.35Å; F279-L283 HydrophobicContact CE1-CD1 3.63Å; F279-L283 HydrophobicContact CE1-CD2 4.43Å; F279-L283 HydrophobicContact CE1-CG 4.05Å; F279-L283 HydrophobicContact CZ-CD1 4.29Å; F279-L283 HydrophobicContact CZ-CD2 4.27Å; F279-L283 HydrophobicContact CZ-CG 4.3Å; F279-L283 WeakPolarHBondContact O-CG 3.36Å; F279-L283 PolarHBondContact O-N 2.84Å
280G92.6Very high88.1Confident0 Ų053.2 Ų53.20%026%0.259CS..Hα-helixtrans-60.9-44173.200000112.3L276 Q277 L282 L283 I284L276-G280 PolarHBondContact O-N 2.95Å; Q277-G280 PolarHBondContact O-N 3.4Å; G280-L282 VanDerWaalsContact C-N 3.34Å; G280-L282 PolarHBondContact O-N 2.91Å; G280-L283 PolarHBondContact O-N 3.41Å; G280-I284 VanDerWaalsContact O-CG1 3.32Å; G280-I284 WeakPolarHBondContact O-CG1 3.45Å; G280-I284 PolarHBondContact O-N 3.31Å
281L92.2Very high87.5Confident25 Ų2554.9 Ų54.913%0.13126%0.264CS..Hα-helixtrans-63.4-39.1174.6-67.1176.4000112.1F166 Q277 L278 I284 Y285 I298 L302F166-L281 HydrophobicContact CD2-CD2 3.81Å; F166-L281 HydrophobicContact CD2-CG 3.84Å; F166-L281 HydrophobicContact CE2-CD1 4.13Å; F166-L281 HydrophobicContact CE2-CD2 3.78Å; F166-L281 HydrophobicContact CE2-CG 3.9Å; F166-L281 HydrophobicContact CZ-CD2 4.45Å; Q277-L281 WeakPolarHBondContact O-CG 3.35Å; Q277-L281 PolarHBondContact O-N 2.96Å; L278-L281 PolarHBondContact O-N 3.03Å; L281-I284 HydrophobicContact CD2-CD1 4.43Å; L281-I284 PolarHBondContact O-N 2.9Å; L281-Y285 PolarHBondContact O-N 3.43Å; L281-I298 HydrophobicContact CD2-CB 4.46Å; L281-I298 HydrophobicContact CD2-CG1 4.23Å; L281-I298 HydrophobicContact CD2-CG2 4.14Å; L281-L302 HydrophobicContact CD1-CD2 4.05Å; L281-L302 HydrophobicContact CD1-CG 4.46Å
282L91.1Very high87Confident85 Ų8557.2 Ų57.245%0.44527%0.273SS..Hα-helixtrans-62.9-44.2174.3-178.766.7000111.5L278 F279 G280 Y285 L286L278-L282 PolarHBondContact O-N 3.01Å; F279-L282 HydrophobicContact CD2-CD2 4.45Å; F279-L282 WeakPolarHBondContact O-CB 3.21Å; F279-L282 PolarHBondContact O-N 2.89Å; G280-L282 VanDerWaalsContact C-N 3.34Å; G280-L282 PolarHBondContact O-N 2.91Å; L282-Y285 WeakPolarHBondContact O-CB 3.02Å; L282-Y285 PolarHBondContact O-N 3.44Å; L282-L286 HydrophobicContact CG-CD1 4.2Å; L282-L286 WeakPolarHBondContact O-CG 3.35Å; L282-L286 PolarHBondContact O-N 2.92Å
283L88Confident86.6Confident31 Ų3157.6 Ų57.616%0.16228%0.277CS..Hα-helixtrans-63.9-39.4175.7-71.3178.2000112.1V158 L165 F279 G280 Y285 L286 G287V158-L283 HydrophobicContact CG1-CB 4.48Å; V158-L283 HydrophobicContact CG1-CD2 4.26Å; L165-L283 HydrophobicContact CD1-CD1 4.37Å; F279-L283 HydrophobicContact CD1-CD1 3.98Å; F279-L283 HydrophobicContact CD1-CG 4.35Å; F279-L283 HydrophobicContact CE1-CD1 3.63Å; F279-L283 HydrophobicContact CE1-CD2 4.43Å; F279-L283 HydrophobicContact CE1-CG 4.05Å; F279-L283 HydrophobicContact CZ-CD1 4.29Å; F279-L283 HydrophobicContact CZ-CD2 4.27Å; F279-L283 HydrophobicContact CZ-CG 4.3Å; F279-L283 WeakPolarHBondContact O-CG 3.36Å; F279-L283 PolarHBondContact O-N 2.84Å; G280-L283 PolarHBondContact O-N 3.41Å; L283-Y285 VanDerWaalsContact C-N 3.32Å; L283-Y285 PolarHBondContact O-N 3.32Å; L283-L286 PolarHBondContact O-N 2.95Å; L283-G287 PolarHBondContact O-N 3.41Å
284I89.6Confident86.2Confident2 Ų257.3 Ų57.31%0.0128%0.275CS..Hα-helixtrans-59.8-44.9173.2-71.7165.5000110.5F159 G280 L281 L286 G287 I288 I297 I298F159-I284 HydrophobicContact CD2-CB 4.45Å; F159-I284 HydrophobicContact CD2-CG1 4.3Å; F159-I284 HydrophobicContact CD2-CG2 4.07Å; F159-I284 HydrophobicContact CE2-CG1 4.38Å; F159-I284 HydrophobicContact CE2-CG2 3.98Å; G280-I284 VanDerWaalsContact O-CG1 3.32Å; G280-I284 WeakPolarHBondContact O-CG1 3.45Å; G280-I284 PolarHBondContact O-N 3.31Å; L281-I284 HydrophobicContact CD2-CD1 4.43Å; L281-I284 PolarHBondContact O-N 2.9Å; I284-L286 PolarHBondContact O-N 2.88Å; I284-G287 PolarHBondContact O-N 3.08Å; I284-I288 HydrophobicContact CG2-CD1 3.87Å; I284-I288 WeakPolarHBondContact O-CG1 3.47Å; I284-I288 PolarHBondContact O-N 3.36Å; I284-I297 HydrophobicContact CG2-CG2 4.08Å; I284-I298 HydrophobicContact CG2-CG1 4.22Å
285Y87.7Confident85.9Confident81 Ų8154.9 Ų54.932%0.31827%0.269SS..Hα-helixtrans-61-43.8176.9-179.1-99.7000112.2L281 L282 L283 A294 F295 I298L281-Y285 PolarHBondContact O-N 3.43Å; L282-Y285 WeakPolarHBondContact O-CB 3.02Å; L282-Y285 PolarHBondContact O-N 3.44Å; L283-Y285 VanDerWaalsContact C-N 3.32Å; L283-Y285 PolarHBondContact O-N 3.32Å; Y285-A294 HydrophobicContact CD2-CB 4.08Å; Y285-F295 HydrophobicContact CE2-CE2 4.36Å; Y285-F295 HydrophobicContact CE2-CZ 4.06Å; Y285-I298 HydrophobicContact CD2-CD1 4.34Å
286L84.1Confident85.7Confident102 Ų10254.3 Ų54.353%0.53427%0.272SS..Hα-helixtrans-73.3-28.6178.7-65.1173.7000113.2L282 L283 I284 I288L282-L286 HydrophobicContact CG-CD1 4.2Å; L282-L286 WeakPolarHBondContact O-CG 3.35Å; L282-L286 PolarHBondContact O-N 2.92Å; L283-L286 PolarHBondContact O-N 2.95Å; I284-L286 PolarHBondContact O-N 2.88Å; L286-I288 VanDerWaalsContact C-N 3.32Å
287G81.3Confident85.4Confident0 Ų055.8 Ų55.80%028%0.279CS..Hα-helixtrans-78.1-13.8179.800000114.1L283 I284L283-G287 PolarHBondContact O-N 3.41Å; I284-G287 PolarHBondContact O-N 3.08Å
288I80.8Confident85.2Confident8 Ų856.1 Ų56.14%0.04128%0.281CS..  trans-111.3120.4179.9-62.8164.7000109.3T72 F159 I284 L286 I290 V293 A294 I297T72-I288 HydrophobicContact CG2-CG2 4.02Å; F159-I288 HydrophobicContact CD2-CD1 3.73Å; F159-I288 HydrophobicContact CD2-CG1 3.77Å; F159-I288 HydrophobicContact CE2-CD1 3.78Å; F159-I288 HydrophobicContact CE2-CG1 4.28Å; F159-I288 HydrophobicContact CG-CG1 4.5Å; I284-I288 HydrophobicContact CG2-CD1 3.87Å; I284-I288 WeakPolarHBondContact O-CG1 3.47Å; I284-I288 PolarHBondContact O-N 3.36Å; L286-I288 VanDerWaalsContact C-N 3.32Å; I288-I290 HydrophobicContact CG2-CB 4.1Å; I288-I290 VanDerWaalsContact CG2-O 3.27Å; I288-I290 WeakPolarHBondContact CG2-O 3.43Å; I288-I290 PolarHBondContact O-N 2.92Å; I288-V293 HydrophobicContact CG2-CB 4.38Å; I288-V293 HydrophobicContact CG2-CG1 4.43Å; I288-A294 HydrophobicContact CB-CB 3.97Å; I288-A294 HydrophobicContact CD1-CB 4.11Å; I288-A294 HydrophobicContact CG2-CB 3.99Å; I288-I297 HydrophobicContact CD1-CD1 3.7Å
289Q72.5Confident84.9Confident45 Ų4555.2 Ų55.221%0.2128%0.276CS..SBendtrans-70.9-21.3178.3-166.4169.9-5.800112.6T74 I124 L126T74-Q289 PolarHBondContact O-OE1 3.47Å; I124-Q289 PolarHBondContact O-NE2 3.16Å; L126-Q289 HydrophobicContact CD1-CB 4.44Å; L126-Q289 HydrophobicContact CD1-CG 3.91Å; L126-Q289 VanDerWaalsContact CD1-NE2 3.32Å
290I72.4Confident84.6Confident6 Ų652.8 Ų52.83%0.03128%0.276CS..  trans-95.2106.2-177.3-53.4175.9000110.8T72 F127 I288 Q292 V293 A294T72-I290 HydrophobicContact CG2-CD1 4.27Å; F127-I290 HydrophobicContact CD2-CG1 4.27Å; F127-I290 HydrophobicContact CD2-CG2 3.94Å; F127-I290 HydrophobicContact CE2-CB 3.9Å; F127-I290 HydrophobicContact CE2-CD1 3.79Å; F127-I290 HydrophobicContact CE2-CG1 3.63Å; F127-I290 HydrophobicContact CE2-CG2 3.13Å; F127-I290 HydrophobicContact CZ-CD1 4.49Å; F127-I290 HydrophobicContact CZ-CG2 3.6Å; I288-I290 HydrophobicContact CG2-CB 4.1Å; I288-I290 VanDerWaalsContact CG2-O 3.27Å; I288-I290 WeakPolarHBondContact CG2-O 3.43Å; I288-I290 PolarHBondContact O-N 2.92Å; I290-Q292 VanDerWaalsContact C-N 3.35Å; I290-Q292 HydrophobicContact CG2-CB 4.47Å; I290-Q292 PolarHBondContact O-N 2.67Å; I290-V293 HydrophobicContact CB-CB 4.02Å; I290-V293 HydrophobicContact CB-CG2 4.09Å; I290-V293 HydrophobicContact CD1-CG2 4.34Å; I290-V293 HydrophobicContact CG2-CB 3.84Å; I290-V293 HydrophobicContact CG2-CG2 3.54Å; I290-V293 PolarHBondContact O-N 2.96Å; I290-A294 WeakPolarHBondContact O-CB 3.47Å; I290-A294 PolarHBondContact O-N 2.71Å
291Q77.9Confident84.2Confident120 Ų12053.8 Ų53.856%0.56128%0.283SS*.Hα-helixtrans-56.6-44.1-178.1-67.7179.6-19.800113.1V293 A294 F295Q291-V293 PolarHBondContact O-N 3.26Å; Q291-A294 WeakPolarHBondContact O-CB 3.48Å; Q291-A294 PolarHBondContact O-N 3.31Å; Q291-F295 HydrophobicContact CB-CE2 4.34Å; Q291-F295 WeakPolarHBondContact O-CD2 3.34Å; Q291-F295 PolarHBondContact O-N 2.83Å
292Q80Confident83.7Confident142 Ų14256 Ų5666%0.66429%0.294SS*.Hα-helixtrans-63.2-42.5-178.6-65.4-178.7-12.500112.8I290 F295 A296I290-Q292 VanDerWaalsContact C-N 3.35Å; I290-Q292 HydrophobicContact CG2-CB 4.47Å; I290-Q292 PolarHBondContact O-N 2.67Å; Q292-F295 PolarHBondContact O-N 3.41Å; Q292-A296 WeakPolarHBondContact O-CB 3.31Å; Q292-A296 PolarHBondContact O-N 3.39Å
293V81.6Confident83.2Confident48 Ų4856.2 Ų56.229%0.29130%0.296SS..Hα-helixtrans-69.7-39.1177.61750000110.1T72 I288 I290 Q291 F295 A296 I297T72-V293 HydrophobicContact CG2-CG1 4.09Å; I288-V293 HydrophobicContact CG2-CB 4.38Å; I288-V293 HydrophobicContact CG2-CG1 4.43Å; I290-V293 HydrophobicContact CB-CB 4.02Å; I290-V293 HydrophobicContact CB-CG2 4.09Å; I290-V293 HydrophobicContact CD1-CG2 4.34Å; I290-V293 HydrophobicContact CG2-CB 3.84Å; I290-V293 HydrophobicContact CG2-CG2 3.54Å; I290-V293 PolarHBondContact O-N 2.96Å; Q291-V293 PolarHBondContact O-N 3.26Å; V293-F295 PolarHBondContact O-N 3.38Å; V293-A296 PolarHBondContact O-N 2.95Å; V293-I297 HydrophobicContact CG1-CD1 3.7Å; V293-I297 HydrophobicContact CG1-CG1 4.33Å; V293-I297 WeakPolarHBondContact O-CB 3.27Å; V293-I297 WeakPolarHBondContact O-CG1 3.3Å; V293-I297 PolarHBondContact O-N 3.32Å
294A83.8Confident82.7Confident0 Ų057.8 Ų57.80%031%0.309CS..Hα-helixtrans-58.2-48.6174.200000111.3Y285 I288 I290 Q291 A296 I297 I298Y285-A294 HydrophobicContact CD2-CB 4.08Å; I288-A294 HydrophobicContact CB-CB 3.97Å; I288-A294 HydrophobicContact CD1-CB 4.11Å; I288-A294 HydrophobicContact CG2-CB 3.99Å; I290-A294 WeakPolarHBondContact O-CB 3.47Å; I290-A294 PolarHBondContact O-N 2.71Å; Q291-A294 WeakPolarHBondContact O-CB 3.48Å; Q291-A294 PolarHBondContact O-N 3.31Å; A294-A296 PolarHBondContact O-N 3.37Å; A294-I297 PolarHBondContact O-N 3.3Å; A294-I298 WeakPolarHBondContact O-CB 3.46Å; A294-I298 WeakPolarHBondContact O-CD1 3.39Å; A294-I298 WeakPolarHBondContact O-CG1 3.35Å; A294-I298 PolarHBondContact O-N 2.91Å
295F85.8Confident81.9Confident121 Ų12160.2 Ų60.253%0.53132%0.32SS..Hα-helixtrans-63-41.4176.2-73.6-61.8000112.8Y285 Q291 Q292 V293 I297 I298 L299Y285-F295 HydrophobicContact CE2-CE2 4.36Å; Y285-F295 HydrophobicContact CE2-CZ 4.06Å; Q291-F295 HydrophobicContact CB-CE2 4.34Å; Q291-F295 WeakPolarHBondContact O-CD2 3.34Å; Q291-F295 PolarHBondContact O-N 2.83Å; Q292-F295 PolarHBondContact O-N 3.41Å; V293-F295 PolarHBondContact O-N 3.38Å; F295-I297 PolarHBondContact O-N 3.23Å; F295-I298 PolarHBondContact O-N 3.44Å; F295-L299 VanDerWaalsContact O-CB 3.3Å; F295-L299 WeakPolarHBondContact O-CB 3.47Å; F295-L299 PolarHBondContact O-N 2.82Å
296A87.7Confident81.1Confident59 Ų5962.1 Ų62.149%0.48834%0.335SS..Hα-helixtrans-61.9-42.7176.700000112Q292 V293 A294 L299 A300Q292-A296 WeakPolarHBondContact O-CB 3.31Å; Q292-A296 PolarHBondContact O-N 3.39Å; V293-A296 PolarHBondContact O-N 2.95Å; A294-A296 PolarHBondContact O-N 3.37Å; A296-L299 PolarHBondContact O-N 3.4Å; A296-A300 VanDerWaalsContact O-CB 3.27Å; A296-A300 WeakPolarHBondContact O-CB 3.26Å; A296-A300 PolarHBondContact O-N 2.85Å
297I86Confident80.1Confident49 Ų4961.4 Ų61.425%0.25133%0.332SS..Hα-helixtrans-69.2-40.4177.8-68.9171000111.2F159 I284 I288 V293 A294 F295 A300 S301F159-I297 HydrophobicContact CE2-CD1 4.35Å; F159-I297 HydrophobicContact CE2-CG2 4.23Å; I284-I297 HydrophobicContact CG2-CG2 4.08Å; I288-I297 HydrophobicContact CD1-CD1 3.7Å; V293-I297 HydrophobicContact CG1-CD1 3.7Å; V293-I297 HydrophobicContact CG1-CG1 4.33Å; V293-I297 WeakPolarHBondContact O-CB 3.27Å; V293-I297 WeakPolarHBondContact O-CG1 3.3Å; V293-I297 PolarHBondContact O-N 3.32Å; A294-I297 PolarHBondContact O-N 3.3Å; F295-I297 PolarHBondContact O-N 3.23Å; I297-A300 PolarHBondContact O-N 3.47Å; I297-S301 VanDerWaalsContact O-CB 3.31Å; I297-S301 WeakPolarHBondContact O-CB 3.38Å; I297-S301 PolarHBondContact O-N 3.49Å; I297-S301 PolarHBondContact O-OG 3.11Å
298I88.2Confident79.3Confident27 Ų2767.7 Ų67.714%0.13836%0.361CS..Hα-helixtrans-61.2-47.3174.8-71.8164.4000110.2L281 I284 Y285 A294 F295 S301 L302L281-I298 HydrophobicContact CD2-CB 4.46Å; L281-I298 HydrophobicContact CD2-CG1 4.23Å; L281-I298 HydrophobicContact CD2-CG2 4.14Å; I284-I298 HydrophobicContact CG2-CG1 4.22Å; Y285-I298 HydrophobicContact CD2-CD1 4.34Å; A294-I298 WeakPolarHBondContact O-CB 3.46Å; A294-I298 WeakPolarHBondContact O-CD1 3.39Å; A294-I298 WeakPolarHBondContact O-CG1 3.35Å; A294-I298 PolarHBondContact O-N 2.91Å; F295-I298 PolarHBondContact O-N 3.44Å; I298-S301 PolarHBondContact O-N 2.99Å; I298-L302 HydrophobicContact CG2-CD1 4.1Å; I298-L302 WeakPolarHBondContact O-CG 3.4Å; I298-L302 PolarHBondContact O-N 3.14Å
299L87.9Confident78.4Confident103 Ų10376.2 Ų76.254%0.53939%0.394SS..Hα-helixtrans-62.6-45.7177.7-176.862.6000111.1F295 A296 S301 L302 L303F295-L299 VanDerWaalsContact O-CB 3.3Å; F295-L299 WeakPolarHBondContact O-CB 3.47Å; F295-L299 PolarHBondContact O-N 2.82Å; A296-L299 PolarHBondContact O-N 3.4Å; L299-S301 VanDerWaalsContact C-N 3.29Å; L299-S301 PolarHBondContact O-N 3.46Å; L299-L302 PolarHBondContact O-N 3.39Å; L299-L303 HydrophobicContact CD1-CD1 4.38Å; L299-L303 HydrophobicContact CD1-CG 4.4Å; L299-L303 HydrophobicContact CG-CD1 3.99Å; L299-L303 HydrophobicContact CG-CG 4.45Å; L299-L303 WeakPolarHBondContact O-CB 3.26Å; L299-L303 WeakPolarHBondContact O-CG 3.21Å; L299-L303 PolarHBondContact O-N 2.88Å
300A85.9Confident78.4Confident54 Ų5476.9 Ų76.945%0.44640%0.402SS..Hα-helixtrans-60.1-39.1175.200000112A296 I297 L303 S304A296-A300 VanDerWaalsContact O-CB 3.27Å; A296-A300 WeakPolarHBondContact O-CB 3.26Å; A296-A300 PolarHBondContact O-N 2.85Å; I297-A300 PolarHBondContact O-N 3.47Å; A300-L303 PolarHBondContact O-N 2.86Å; A300-S304 WeakPolarHBondContact O-CB 3.36Å; A300-S304 PolarHBondContact O-N 3.38Å
301S83.4Confident78.3Confident21 Ų2179.5 Ų79.515%0.14742%0.418CS..Hα-helixtrans-66.9-43.6177.6-57.60000111.5I297 I298 L299 S304 K305I297-S301 VanDerWaalsContact O-CB 3.31Å; I297-S301 WeakPolarHBondContact O-CB 3.38Å; I297-S301 PolarHBondContact O-N 3.49Å; I297-S301 PolarHBondContact O-OG 3.11Å; I298-S301 PolarHBondContact O-N 2.99Å; L299-S301 VanDerWaalsContact C-N 3.29Å; L299-S301 PolarHBondContact O-N 3.46Å; S301-S304 PolarHBondContact O-N 2.88Å; S301-S304 PolarHBondContact O-OG 2.97Å; S301-K305 PolarHBondContact O-N 3.46Å
302L82.7Confident78.2Confident72 Ų7278.9 Ų78.938%0.37742%0.418SS..Hα-helixtrans-65.7-39.2175.1-71.9172.4000112.6L281 I298 L299 N306L281-L302 HydrophobicContact CD1-CD2 4.05Å; L281-L302 HydrophobicContact CD1-CG 4.46Å; I298-L302 HydrophobicContact CG2-CD1 4.1Å; I298-L302 WeakPolarHBondContact O-CG 3.4Å; I298-L302 PolarHBondContact O-N 3.14Å; L299-L302 PolarHBondContact O-N 3.39Å; L302-N306 PolarHBondContact O-N 2.76Å; L302-N306 PolarHBondContact O-ND2 3.27Å
303L80.6Confident78.2Confident90 Ų9076.7 Ų76.747%0.47141%0.41SS..Hα-helixtrans-64-49.3173.9-72.1170.1000109.6L299 A300 K305 N306 L307L299-L303 HydrophobicContact CD1-CD1 4.38Å; L299-L303 HydrophobicContact CD1-CG 4.4Å; L299-L303 HydrophobicContact CG-CD1 3.99Å; L299-L303 HydrophobicContact CG-CG 4.45Å; L299-L303 WeakPolarHBondContact O-CB 3.26Å; L299-L303 WeakPolarHBondContact O-CG 3.21Å; L299-L303 PolarHBondContact O-N 2.88Å; A300-L303 PolarHBondContact O-N 2.86Å; L303-K305 VanDerWaalsContact C-N 3.29Å; L303-K305 PolarHBondContact O-N 3.47Å; L303-N306 CarbonylContact O-C 3.58Å; L303-N306 PolarHBondContact O-N 3.04Å; L303-L307 WeakPolarHBondContact O-CA 2.94Å; L303-L307 WeakPolarHBondContact O-CB 3.46Å; L303-L307 PolarHBondContact O-N 3.18Å
304S77.3Confident78.2Confident64 Ų6477.3 Ų77.345%0.44842%0.42SS..Hα-helixtrans-53.1-43.8-17869.80000113A300 S301A300-S304 WeakPolarHBondContact O-CB 3.36Å; A300-S304 PolarHBondContact O-N 3.38Å; S301-S304 PolarHBondContact O-N 2.88Å; S301-S304 PolarHBondContact O-OG 2.97Å
305K72.6Confident78Confident52 Ų5281.7 Ų81.723%0.22644%0.443CS..Hα-helixtrans-69.4-37.4177.2-77.9-153.2169.7-153.20114.2F166 E170 S301 L303F166-K305 HydrophobicContact CE1-CD 4Å; F166-K305 HydrophobicContact CE1-CG 3.96Å; F166-K305 HydrophobicContact CZ-CD 3.81Å; F166-K305 HydrophobicContact CZ-CG 4.02Å; E170-K305 IonicContact OE1-NZ 2.75Å; E170-K305 PolarHBondContact OE1-NZ 3.1Å; S301-K305 PolarHBondContact O-N 3.46Å; L303-K305 VanDerWaalsContact C-N 3.29Å; L303-K305 PolarHBondContact O-N 3.47Å
306N69.8Low77.8Confident121 Ų12178.8 Ų78.865%0.64744%0.435SS*.Hα-helixtrans-87.4-15-178.4-70.3-59.8000113.3L302 L303 P310L302-N306 PolarHBondContact O-N 2.76Å; L302-N306 PolarHBondContact O-ND2 3.27Å; L303-N306 CarbonylContact O-C 3.58Å; L303-N306 PolarHBondContact O-N 3.04Å; N306-P310 VanDerWaalsContact O-CD 3.22Å; N306-P310 WeakPolarHBondContact O-CD 3.36Å
307L64.1Low77.7Confident87 Ų8779.7 Ų79.746%0.45543%0.434SS..Hα-helixtrans-91.4-15.7-172.2-164.977.5000112.9L303 Y309 P310 V311L303-L307 WeakPolarHBondContact O-CA 2.94Å; L303-L307 WeakPolarHBondContact O-CB 3.46Å; L303-L307 PolarHBondContact O-N 3.18Å; L307-Y309 VanDerWaalsContact C-N 3.35Å; L307-Y309 PolarHBondContact O-N 2.85Å; L307-P310 HydrophobicContact CD1-CG 4.19Å; L307-P310 VanDerWaalsContact O-CD 3.27Å; L307-P310 WeakPolarHBondContact O-CD 3.2Å; L307-P310 WeakPolarHBondContact O-CG 3.27Å; L307-V311 HydrophobicContact CD1-CG2 4.25Å; L307-V311 HydrophobicContact CD2-CG2 3.97Å; L307-V311 HydrophobicContact CG-CG2 3.6Å; L307-V311 VanDerWaalsContact O-CB 3.27Å; L307-V311 WeakPolarHBondContact O-CB 3.27Å; L307-V311 VanDerWaalsContact O-CG2 3.26Å; L307-V311 WeakPolarHBondContact O-CG2 3.26Å; L307-V311 PolarHBondContact O-N 2.91Å
308E64.6Low77.5Confident133 Ų13386 Ų8662%0.62146%0.455SS*.Hα-helixtrans-54.8-48.1177.3-72.7178.8-173.500112.1I312E308-I312 WeakPolarHBondContact O-CD1 3.22Å; E308-I312 WeakPolarHBondContact O-CG1 3.27Å; E308-I312 PolarHBondContact O-N 3.43Å; E308-I312 VanDerWaalsContact O-N 3.07Å
309Y62.6Low77.3Confident187 Ų18792.7 Ų92.773%0.73348%0.479SS*.Hα-helixtrans-65.8-52.5-179.2-171.1-97.9000114.2L307 V311 I312 L313L307-Y309 VanDerWaalsContact C-N 3.35Å; L307-Y309 PolarHBondContact O-N 2.85Å; Y309-V311 VanDerWaalsContact C-N 3.31Å; Y309-V311 PolarHBondContact O-N 3.07Å; Y309-I312 PolarHBondContact O-N 3.39Å; Y309-L313 PolarHBondContact O-N 3.02Å; Y309-L313 VanDerWaalsContact O-N 3.07Å
310P71.3Confident77Confident59 Ų5996 Ų9638%0.38349%0.489SS..Hα-helixtrans-67.6-27.5178.426.9-35.9000113.2N306 L307 A314N306-P310 VanDerWaalsContact O-CD 3.22Å; N306-P310 WeakPolarHBondContact O-CD 3.36Å; L307-P310 HydrophobicContact CD1-CG 4.19Å; L307-P310 VanDerWaalsContact O-CD 3.27Å; L307-P310 WeakPolarHBondContact O-CD 3.2Å; L307-P310 WeakPolarHBondContact O-CG 3.27Å; P310-A314 VanDerWaalsContact O-CB 3.24Å; P310-A314 WeakPolarHBondContact O-CB 3.24Å; P310-A314 PolarHBondContact O-N 2.98Å
311V70.6Confident76.8Confident61 Ų6197.1 Ų97.137%0.3749%0.49SS..Hα-helixtrans-73.1-41.1176.2167.90000111.6L307 Y309 L313 A314 L315L307-V311 HydrophobicContact CD1-CG2 4.25Å; L307-V311 HydrophobicContact CD2-CG2 3.97Å; L307-V311 HydrophobicContact CG-CG2 3.6Å; L307-V311 VanDerWaalsContact O-CB 3.27Å; L307-V311 WeakPolarHBondContact O-CB 3.27Å; L307-V311 VanDerWaalsContact O-CG2 3.26Å; L307-V311 WeakPolarHBondContact O-CG2 3.26Å; L307-V311 PolarHBondContact O-N 2.91Å; Y309-V311 VanDerWaalsContact C-N 3.31Å; Y309-V311 PolarHBondContact O-N 3.07Å; V311-L313 VanDerWaalsContact C-N 3.29Å; V311-L313 PolarHBondContact O-N 3.37Å; V311-A314 PolarHBondContact O-N 2.94Å; V311-L315 HydrophobicContact CG1-CD1 3.89Å; V311-L315 HydrophobicContact CG1-CG 4.29Å; V311-L315 WeakPolarHBondContact O-CB 3.33Å; V311-L315 VanDerWaalsContact O-CG 3.27Å; V311-L315 WeakPolarHBondContact O-CG 3.45Å; V311-L315 PolarHBondContact O-N 2.94Å
312I74.7Confident76.5Confident106 Ų106102.8 Ų102.854%0.54451%0.508SS..Hα-helixtrans-62.9-40.6173.7-67164000110.2E308 Y309 L315 T316E308-I312 WeakPolarHBondContact O-CD1 3.22Å; E308-I312 WeakPolarHBondContact O-CG1 3.27Å; E308-I312 PolarHBondContact O-N 3.43Å; E308-I312 VanDerWaalsContact O-N 3.07Å; Y309-I312 PolarHBondContact O-N 3.39Å; I312-L315 PolarHBondContact O-N 3.48Å; I312-T316 WeakPolarHBondContact O-CB 3.24Å; I312-T316 WeakPolarHBondContact O-CG2 3.24Å; I312-T316 PolarHBondContact O-N 2.8Å; I312-T316 PolarHBondContact O-OG1 2.85Å
313L80.4Confident76.1Confident97 Ų97101.4 Ų101.451%0.50851%0.511SS..Hα-helixtrans-64-44.4174.1-171.968.6000111.7Y309 V311 L315 T316 V317Y309-L313 PolarHBondContact O-N 3.02Å; Y309-L313 VanDerWaalsContact O-N 3.07Å; V311-L313 VanDerWaalsContact C-N 3.29Å; V311-L313 PolarHBondContact O-N 3.37Å; L313-L315 PolarHBondContact O-N 2.82Å; L313-T316 WeakPolarHBondContact CA-OG1 3.43Å; L313-T316 PolarHBondContact O-N 2.84Å; L313-T316 PolarHBondContact O-OG1 3.07Å; L313-V317 WeakPolarHBondContact O-CB 3.37Å; L313-V317 VanDerWaalsContact O-CG2 3.24Å; L313-V317 WeakPolarHBondContact O-CG2 3.34Å; L313-V317 PolarHBondContact O-N 3.46Å
314A82Confident75.6Confident60 Ų60105.7 Ų105.750%0.49652%0.522SS..Hα-helixtrans-64.8-40.1177.900000112.2P310 V311 W318P310-A314 VanDerWaalsContact O-CB 3.24Å; P310-A314 WeakPolarHBondContact O-CB 3.24Å; P310-A314 PolarHBondContact O-N 2.98Å; V311-A314 PolarHBondContact O-N 2.94Å; A314-W318 VanDerWaalsContact O-CB 3.24Å; A314-W318 WeakPolarHBondContact O-CB 3.33Å; A314-W318 PolarHBondContact O-N 3.36Å
315L80.8Confident75.2Confident92 Ų92108.3 Ų108.348%0.48253%0.53SS..Hα-helixtrans-68.5-36.2176.4-74.6171.6000112.7V311 I312 L313 R319V311-L315 HydrophobicContact CG1-CD1 3.89Å; V311-L315 HydrophobicContact CG1-CG 4.29Å; V311-L315 WeakPolarHBondContact O-CB 3.33Å; V311-L315 VanDerWaalsContact O-CG 3.27Å; V311-L315 WeakPolarHBondContact O-CG 3.45Å; V311-L315 PolarHBondContact O-N 2.94Å; I312-L315 PolarHBondContact O-N 3.48Å; L313-L315 PolarHBondContact O-N 2.82Å; L315-R319 WeakPolarHBondContact O-CB 3.39Å; L315-R319 PolarHBondContact O-N 3.48Å
316T79.7Confident74.9Confident61 Ų61113.6 Ų113.637%0.37455%0.55SS..Hα-helixtrans-70.6-42.2175.3470000111.1I312 L313 R319 K320I312-T316 WeakPolarHBondContact O-CB 3.24Å; I312-T316 WeakPolarHBondContact O-CG2 3.24Å; I312-T316 PolarHBondContact O-N 2.8Å; I312-T316 PolarHBondContact O-OG1 2.85Å; L313-T316 WeakPolarHBondContact CA-OG1 3.43Å; L313-T316 PolarHBondContact O-N 2.84Å; L313-T316 PolarHBondContact O-OG1 3.07Å; T316-R319 PolarHBondContact O-N 2.81Å; T316-K320 WeakPolarHBondContact O-CB 3.27Å; T316-K320 PolarHBondContact O-N 3Å
317V85.8Confident74.2Confident77 Ų77116.6 Ų116.647%0.46755%0.552SS.*Hα-helixtrans-61.5-46.4172172.30000110.9L313 R319 K320 V321L313-V317 WeakPolarHBondContact O-CB 3.37Å; L313-V317 VanDerWaalsContact O-CG2 3.24Å; L313-V317 WeakPolarHBondContact O-CG2 3.34Å; L313-V317 PolarHBondContact O-N 3.46Å; V317-R319 PolarHBondContact O-N 3.39Å; V317-K320 PolarHBondContact O-N 3.46Å; V317-V321 HydrophobicContact CG1-CG2 4.19Å; V317-V321 WeakPolarHBondContact O-CB 3.39Å; V317-V321 VanDerWaalsContact O-CG2 3.27Å; V317-V321 WeakPolarHBondContact O-CG2 3.2Å; V317-V321 PolarHBondContact O-N 3.27Å
318W82.9Confident74.1Confident182 Ų182121.3 Ų121.369%0.68957%0.569SS**Hα-helixtrans-59-47.1176.6-176.4-66.1000111.8A314 K320 V321 R322A314-W318 VanDerWaalsContact O-CB 3.24Å; A314-W318 WeakPolarHBondContact O-CB 3.33Å; A314-W318 PolarHBondContact O-N 3.36Å; W318-K320 VanDerWaalsContact C-N 3.29Å; W318-K320 PolarHBondContact O-N 2.83Å; W318-V321 PolarHBondContact O-N 2.86Å; W318-R322 WeakPolarHBondContact O-CB 3.43Å; W318-R322 PolarHBondContact O-N 3.5Å
319R84.4Confident74.2Confident168 Ų168120.6 Ų120.663%0.63458%0.576SS**Hα-helixtrans-60.1-40.1176.8-89.4-175.3-89.4165-10.3111.9L315 T316 V317 R322 G323L315-R319 WeakPolarHBondContact O-CB 3.39Å; L315-R319 PolarHBondContact O-N 3.48Å; T316-R319 PolarHBondContact O-N 2.81Å; V317-R319 PolarHBondContact O-N 3.39Å; R319-R322 PolarHBondContact O-N 3.4Å; R319-G323 PolarHBondContact O-N 3.19Å
320K79.9Confident74.2Confident173 Ų173119.8 Ų119.875%0.75258%0.579SS**Hα-helixtrans-69.8-42.2179.4-159171.3-174.2177.80112.2T316 V317 W318 G323 Y324T316-K320 WeakPolarHBondContact O-CB 3.27Å; T316-K320 PolarHBondContact O-N 3Å; V317-K320 PolarHBondContact O-N 3.46Å; W318-K320 VanDerWaalsContact C-N 3.29Å; W318-K320 PolarHBondContact O-N 2.83Å; K320-G323 PolarHBondContact O-N 3.41Å; K320-Y324 WeakPolarHBondContact O-CB 3.4Å; K320-Y324 PolarHBondContact O-N 2.84Å
321V82.9Confident74Confident76 Ų76122.9 Ų122.946%0.46160%0.599SS.*Hα-helixtrans-65.4-41.6174.6170.80000110.8V317 W318 Y324 I325V317-V321 HydrophobicContact CG1-CG2 4.19Å; V317-V321 WeakPolarHBondContact O-CB 3.39Å; V317-V321 VanDerWaalsContact O-CG2 3.27Å; V317-V321 WeakPolarHBondContact O-CG2 3.2Å; V317-V321 PolarHBondContact O-N 3.27Å; W318-V321 PolarHBondContact O-N 2.86Å; V321-Y324 PolarHBondContact O-N 2.92Å; V321-I325 HydrophobicContact CG1-CD1 3.67Å; V321-I325 HydrophobicContact CG1-CG1 4.46Å; V321-I325 WeakPolarHBondContact O-CB 3.18Å; V321-I325 WeakPolarHBondContact O-CD1 3.46Å; V321-I325 VanDerWaalsContact O-CG1 3.23Å; V321-I325 WeakPolarHBondContact O-CG1 3.44Å; V321-I325 PolarHBondContact O-N 3.12Å
322R77.4Confident73.9Confident140 Ų140131.4 Ų131.453%0.52862%0.624SS.*Hα-helixtrans-62-47.4174-165.7175.4-178.2-176.80.9110.8W318 R319 Y324 I325 Y326W318-R322 WeakPolarHBondContact O-CB 3.43Å; W318-R322 PolarHBondContact O-N 3.5Å; R319-R322 PolarHBondContact O-N 3.4Å; R322-Y324 VanDerWaalsContact C-N 3.27Å; R322-Y324 PolarHBondContact O-N 3.41Å; R322-I325 PolarHBondContact O-N 2.99Å; R322-I325 VanDerWaalsContact O-N 3.16Å; R322-Y326 HydrophobicContact CG-CD2 3.63Å; R322-Y326 HydrophobicContact CG-CE2 3.53Å; R322-Y326 WeakPolarHBondContact O-CD2 3.23Å; R322-Y326 PolarHBondContact O-N 3.16Å
323G74.6Confident74.2Confident43 Ų43135.8 Ų135.844%0.44363%0.634SS.*Hα-helixtrans-59.9-35.1175.200000113.6R319 K320 W327R319-G323 PolarHBondContact O-N 3.19Å; K320-G323 PolarHBondContact O-N 3.41Å; G323-W327 PolarHBondContact O-N 3.34Å
324Y69.9Low74.3Confident180 Ų180138.5 Ų138.571%0.70665%0.648SS**Hα-helixtrans-70.9-37.1174.5-172.7-98.4000112.8K320 V321 R322 W327K320-Y324 WeakPolarHBondContact O-CB 3.4Å; K320-Y324 PolarHBondContact O-N 2.84Å; V321-Y324 PolarHBondContact O-N 2.92Å; R322-Y324 VanDerWaalsContact C-N 3.27Å; R322-Y324 PolarHBondContact O-N 3.41Å; Y324-W327 WeakPolarHBondContact O-CB 3.48Å; Y324-W327 PolarHBondContact O-N 2.93Å
325I68.5Low74.5Confident119 Ų119139.8 Ų139.861%0.6165%0.646SS**Hα-helixtrans-71.8-31.3177.8-70.4164.6000111.9V321 R322V321-I325 HydrophobicContact CG1-CD1 3.67Å; V321-I325 HydrophobicContact CG1-CG1 4.46Å; V321-I325 WeakPolarHBondContact O-CB 3.18Å; V321-I325 WeakPolarHBondContact O-CD1 3.46Å; V321-I325 VanDerWaalsContact O-CG1 3.23Å; V321-I325 WeakPolarHBondContact O-CG1 3.44Å; V321-I325 PolarHBondContact O-N 3.12Å; R322-I325 PolarHBondContact O-N 2.99Å; R322-I325 VanDerWaalsContact O-N 3.16Å
326Y65.2Low74.9Confident163 Ų163138 Ų13864%0.63964%0.639SS**THydrogen-bonded Turntrans-95.620.9177-68.7-75000113.6R322 K328R322-Y326 HydrophobicContact CG-CD2 3.63Å; R322-Y326 HydrophobicContact CG-CE2 3.53Å; R322-Y326 WeakPolarHBondContact O-CD2 3.23Å; R322-Y326 PolarHBondContact O-N 3.16Å; Y326-K328 PolarHBondContact O-N 2.93Å; Y326-K328 VanDerWaalsContact O-N 3.12Å
327W56.5Low75.1Confident184 Ų184140.8 Ų140.870%0.69765%0.648SS**  trans-70.4105.3177.9-164.7-65.4000110.3G323 Y324G323-W327 PolarHBondContact O-N 3.34Å; Y324-W327 WeakPolarHBondContact O-CB 3.48Å; Y324-W327 PolarHBondContact O-N 2.93Å
328K61.2Low75.3Confident186 Ų186144.7 Ų144.781%0.80966%0.661SS**PPolyproline II helixtrans-63.5130.4169.6-77.5-174.5177.5-1780108.9Y326 Q330Y326-K328 PolarHBondContact O-N 2.93Å; Y326-K328 VanDerWaalsContact O-N 3.12Å; K328-Q330 PolarHBondContact O-N 3.27Å
329P66.6Low75.7Confident118 Ų118140.4 Ų140.477%0.76665%0.649SS**PPolyproline II helixtrans-57.3138.7173.123.9-31.2000109.2
330Q63.1Low76Confident171 Ų171139.1 Ų139.180%0.79965%0.645SS**PPolyproline II helixtrans-53.5134.5-179.1-82.2-177.8-27.800109.9K328 R332K328-Q330 PolarHBondContact O-N 3.27Å; Q330-R332 PolarHBondContact O-N 3.26Å
331P66.1Low76.4Confident123 Ų123135.6 Ų135.680%0.79963%0.631SS**PPolyproline II helixtrans-56.8139.1175.123.5-31.1000109R333P331-R333 PolarHBondContact O-N 3.38Å
332R70.3Confident76.9Confident240 Ų240138 Ų13891%0.90664%0.635SS**PPolyproline II helixtrans-58.5135.7177.6-66.6-176.4-178-170.80.8108.1Q330 L334Q330-R332 PolarHBondContact O-N 3.26Å; R332-L334 PolarHBondContact O-N 3.39Å
333R79.8Confident77.7Confident198 Ų198136.5 Ų136.575%0.74763%0.634SS**PPolyproline II helixtrans-55.7128.1176.2-177.2-178168.3-177.4-4.2108.8P331P331-R333 PolarHBondContact O-N 3.38Å
334L82.8Confident78.5Confident155 Ų155136.4 Ų136.481%0.81263%0.63SS**PPolyproline II helixtrans-61.9143.6170.3-62.9175000108.9R332 T336R332-L334 PolarHBondContact O-N 3.39Å; L334-T336 PolarHBondContact O-N 3.1Å
335L86.3Confident79.6Confident87 Ų87134.5 Ų134.546%0.45563%0.627SS.*PPolyproline II helixtrans-59.2141.7172.8-94.866.4000108.8E339 E343L335-E339 HydrophobicContact CB-CB 4.14Å; L335-E339 HydrophobicContact CD2-CB 4.03Å; L335-E339 HydrophobicContact CG-CB 3.93Å; L335-E343 WeakPolarHBondContact CD2-OE2 3.45Å
336T88.7Confident80.9Confident53 Ų53133.9 Ų133.933%0.32562%0.621SS.*PPolyproline II helixtrans-67.6154.7166.555.80000109.6L334 E338 E339 Y340L334-T336 PolarHBondContact O-N 3.1Å; T336-E338 PolarHBondContact O-N 3.41Å; T336-E339 PolarHBondContact N-OE2 3.19Å; T336-E339 WeakPolarHBondContact O-CA 3.41Å; T336-E339 WeakPolarHBondContact O-CB 3.45Å; T336-E339 PolarHBondContact O-N 3.42Å; T336-E339 WeakPolarHBondContact OG1-CG 3.27Å; T336-E339 PolarHBondContact OG1-OE2 3.31Å; T336-Y340 PolarHBondContact O-N 3.43Å
337E85.3Confident82.4Confident120 Ų120130.7 Ų130.756%0.56161%0.612SS**Hα-helixtrans-54.1-39.8-179.6-175.555.4-146.600111.9Y340 Q341E337-Y340 PolarHBondContact O-N 3.43Å; E337-Q341 WeakPolarHBondContact O-CB 3.39Å; E337-Q341 VanDerWaalsContact O-CG 3.27Å; E337-Q341 WeakPolarHBondContact O-CG 3.48Å; E337-Q341 PolarHBondContact O-N 3.37Å; E337-Q341 PolarHBondContact OE1-NE2 3.5Å
338E88.1Confident84.2Confident159 Ų159125.3 Ų125.374%0.74360%0.6SS**Hα-helixtrans-64.2-41.1175.6-61.2-177.6-176.700112.8T336 K342T336-E338 PolarHBondContact O-N 3.41Å; E338-K342 VanDerWaalsContact O-CB 3.3Å; E338-K342 WeakPolarHBondContact O-CB 3.37Å; E338-K342 PolarHBondContact O-N 2.86Å
339E91.7Very high85.7Confident92 Ų92122.9 Ų122.943%0.4359%0.586SS.*Hα-helixtrans-66.4-40.5176.5-73.5165.7155.100110.9L335 T336 K342 E343L335-E339 HydrophobicContact CB-CB 4.14Å; L335-E339 HydrophobicContact CD2-CB 4.03Å; L335-E339 HydrophobicContact CG-CB 3.93Å; T336-E339 PolarHBondContact N-OE2 3.19Å; T336-E339 WeakPolarHBondContact O-CA 3.41Å; T336-E339 WeakPolarHBondContact O-CB 3.45Å; T336-E339 PolarHBondContact O-N 3.42Å; T336-E339 WeakPolarHBondContact OG1-CG 3.27Å; T336-E339 PolarHBondContact OG1-OE2 3.31Å; E339-K342 PolarHBondContact O-N 3.41Å; E339-E343 WeakPolarHBondContact O-CB 3.27Å; E339-E343 PolarHBondContact O-N 3.5Å
340Y90.4Very high87.1Confident141 Ų141124.4 Ų124.455%0.55358%0.576SS**Hα-helixtrans-63.5-49.5177.2175.7-103.9000111.6T336 E337 K342 E343 A344T336-Y340 PolarHBondContact O-N 3.43Å; E337-Y340 PolarHBondContact O-N 3.43Å; Y340-K342 VanDerWaalsContact C-N 3.31Å; Y340-K342 PolarHBondContact O-N 2.99Å; Y340-E343 PolarHBondContact O-N 3.13Å; Y340-A344 WeakPolarHBondContact O-CB 3.18Å; Y340-A344 PolarHBondContact O-N 3.43Å
341Q88.4Confident88.7Confident99 Ų99118.9 Ų118.946%0.46356%0.56SS.*Hα-helixtrans-59.7-43.5177.9-73.21777.600111.4E337 A344 E345E337-Q341 WeakPolarHBondContact O-CB 3.39Å; E337-Q341 VanDerWaalsContact O-CG 3.27Å; E337-Q341 WeakPolarHBondContact O-CG 3.48Å; E337-Q341 PolarHBondContact O-N 3.37Å; E337-Q341 PolarHBondContact OE1-NE2 3.5Å; Q341-A344 PolarHBondContact O-N 2.8Å; Q341-E345 WeakPolarHBondContact O-CG 3.33Å; Q341-E345 PolarHBondContact O-N 2.91Å
342K93.4Very high90Very high127 Ų127114.8 Ų114.855%0.55253%0.531SS*.Hα-helixtrans-63.8-44.3178.5-172.6179.3177.9-175.10112.5E338 E339 Y340 A344 E345 E346E338-K342 VanDerWaalsContact O-CB 3.3Å; E338-K342 WeakPolarHBondContact O-CB 3.37Å; E338-K342 PolarHBondContact O-N 2.86Å; E339-K342 PolarHBondContact O-N 3.41Å; Y340-K342 VanDerWaalsContact C-N 3.31Å; Y340-K342 PolarHBondContact O-N 2.99Å; K342-A344 VanDerWaalsContact C-N 3.33Å; K342-E345 PolarHBondContact O-N 2.88Å; K342-E346 WeakPolarHBondContact CE-OE1 3.29Å; K342-E346 WeakPolarHBondContact O-CB 3.09Å; K342-E346 WeakPolarHBondContact O-CG 3.43Å; K342-E346 PolarHBondContact O-N 2.83Å
343E94.6Very high91.1Very high109 Ų109106.9 Ų106.951%0.50950%0.504SS..Hα-helixtrans-65-39.8177.1-170.5169-165.700111.1L335 E339 Y340 E346 E347L335-E343 WeakPolarHBondContact CD2-OE2 3.45Å; E339-E343 WeakPolarHBondContact O-CB 3.27Å; E339-E343 PolarHBondContact O-N 3.5Å; Y340-E343 PolarHBondContact O-N 3.13Å; E343-E346 PolarHBondContact O-N 2.89Å; E343-E347 WeakPolarHBondContact O-CB 3.39Å; E343-E347 PolarHBondContact O-N 3.1Å
344A92.7Very high91.8Very high41 Ų41103.6 Ų103.634%0.33950%0.498SS..Hα-helixtrans-61.6-44175.200000112.1Y340 Q341 K342 T348Y340-A344 WeakPolarHBondContact O-CB 3.18Å; Y340-A344 PolarHBondContact O-N 3.43Å; Q341-A344 PolarHBondContact O-N 2.8Å; K342-A344 VanDerWaalsContact C-N 3.33Å; A344-T348 WeakPolarHBondContact O-CB 3.45Å; A344-T348 PolarHBondContact O-N 3.29Å; A344-T348 PolarHBondContact O-OG1 3.32Å
345E92.4Very high92.3Very high140 Ų140100.1 Ų100.165%0.65448%0.479SS*.Hα-helixtrans-63.6-46.1176.2-75.1-178.1-177.200112.1Q341 K342 R349Q341-E345 WeakPolarHBondContact O-CG 3.33Å; Q341-E345 PolarHBondContact O-N 2.91Å; K342-E345 PolarHBondContact O-N 2.88Å; E345-R349 VanDerWaalsContact O-CB 3.28Å; E345-R349 WeakPolarHBondContact O-CB 3.5Å; E345-R349 PolarHBondContact O-N 2.85Å
346E96.2Very high92.6Very high105 Ų10599 Ų9949%0.49147%0.469SS..Hα-helixtrans-65.1-46.5-178.4-75.3-176.7-169.300112K342 E343 R350K342-E346 WeakPolarHBondContact CE-OE1 3.29Å; K342-E346 WeakPolarHBondContact O-CB 3.09Å; K342-E346 WeakPolarHBondContact O-CG 3.43Å; K342-E346 PolarHBondContact O-N 2.83Å; E343-E346 PolarHBondContact O-N 2.89Å; E346-R350 WeakPolarHBondContact O-CB 3.45Å; E346-R350 PolarHBondContact O-N 3.44Å
347E95.9Very high92.8Very high96 Ų96103.6 Ų103.645%0.44948%0.484SS..Hα-helixtrans-70.8-38.1177.9-78.9-62.4164.500112E343 R349 R350 A351E343-E347 WeakPolarHBondContact O-CB 3.39Å; E343-E347 PolarHBondContact O-N 3.1Å; E347-R349 PolarHBondContact O-N 3.49Å; E347-R350 PolarHBondContact O-N 2.97Å; E347-R350 IonicContact OE1-NH1 2.72Å; E347-A351 VanDerWaalsContact O-CB 3.3Å; E347-A351 WeakPolarHBondContact O-CB 3.12Å; E347-A351 PolarHBondContact O-N 3.33Å
348T93.9Very high93.1Very high71 Ų71103.8 Ų103.844%0.43648%0.481SS..Hα-helixtrans-61.7-45.8174.5-61.50000110.7A344 R350 A351 L352A344-T348 WeakPolarHBondContact O-CB 3.45Å; A344-T348 PolarHBondContact O-N 3.29Å; A344-T348 PolarHBondContact O-OG1 3.32Å; T348-R350 VanDerWaalsContact C-N 3.34Å; T348-R350 PolarHBondContact O-N 3.35Å; T348-A351 PolarHBondContact O-N 3.06Å; T348-L352 HydrophobicContact CG2-CD1 3.89Å; T348-L352 HydrophobicContact CG2-CG 4.38Å; T348-L352 WeakPolarHBondContact O-CB 3.49Å; T348-L352 WeakPolarHBondContact O-CG 3.35Å; T348-L352 PolarHBondContact O-N 2.82Å
349R93.1Very high93.2Very high136 Ų13696.7 Ų96.751%0.51345%0.449SS..Hα-helixtrans-59.2-46.8175.8-175.9-17363.479.31.9111E345 E347 L352 E353E345-R349 VanDerWaalsContact O-CB 3.28Å; E345-R349 WeakPolarHBondContact O-CB 3.5Å; E345-R349 PolarHBondContact O-N 2.85Å; E347-R349 PolarHBondContact O-N 3.49Å; R349-L352 PolarHBondContact O-N 2.89Å; R349-E353 IonicContact CZ-OE1 3.83Å; R349-E353 IonicContact NH1-OE1 3.23Å; R349-E353 PolarHBondContact NH1-OE1 2.89Å; R349-E353 IonicContact NH1-OE2 3.23Å; R349-E353 WeakPolarHBondContact O-CG 3.22Å; R349-E353 PolarHBondContact O-N 2.97Å
350R96.4Very high92.9Very high149 Ų14997.6 Ų97.656%0.56246%0.457SS*.Hα-helixtrans-61.6-46.9179.9-172.7-178.2-177.6179.10.8111.9E346 E347 T348 L352 E353 E354E346-R350 WeakPolarHBondContact O-CB 3.45Å; E346-R350 PolarHBondContact O-N 3.44Å; E347-R350 PolarHBondContact O-N 2.97Å; E347-R350 IonicContact OE1-NH1 2.72Å; T348-R350 VanDerWaalsContact C-N 3.34Å; T348-R350 PolarHBondContact O-N 3.35Å; R350-L352 PolarHBondContact O-N 3.3Å; R350-E353 PolarHBondContact O-N 3.2Å; R350-E354 PolarHBondContact O-N 2.89Å
351A95.8Very high92.9Very high55 Ų5592.4 Ų92.446%0.45544%0.441SS..Hα-helixtrans-63.9-39.417900000112.1E347 T348 E354 L355E347-A351 VanDerWaalsContact O-CB 3.3Å; E347-A351 WeakPolarHBondContact O-CB 3.12Å; E347-A351 PolarHBondContact O-N 3.33Å; T348-A351 PolarHBondContact O-N 3.06Å; A351-E354 PolarHBondContact O-N 2.83Å; A351-L355 WeakPolarHBondContact O-CB 3.45Å; A351-L355 PolarHBondContact O-N 3.36Å
352L94.6Very high92.8Very high37 Ų3793.8 Ų93.819%0.19446%0.459CS..Hα-helixtrans-67.2-38.1176.2-70.6170.6000112.5T348 R349 R350 L355 R356 F382 H388T348-L352 HydrophobicContact CG2-CD1 3.89Å; T348-L352 HydrophobicContact CG2-CG 4.38Å; T348-L352 WeakPolarHBondContact O-CB 3.49Å; T348-L352 WeakPolarHBondContact O-CG 3.35Å; T348-L352 PolarHBondContact O-N 2.82Å; R349-L352 PolarHBondContact O-N 2.89Å; R350-L352 PolarHBondContact O-N 3.3Å; L352-L355 PolarHBondContact O-N 3.4Å; L352-R356 WeakPolarHBondContact O-CG 3.39Å; L352-R356 PolarHBondContact O-N 3.03Å; L352-F382 HydrophobicContact CD2-CE2 4.15Å; L352-F382 HydrophobicContact CD2-CZ 3.98Å; L352-H388 WeakPolarHBondContact CD1-CE1 3.49Å; L352-H388 VanDerWaalsContact CD1-ND1 3.32Å; L352-H388 WeakPolarHBondContact CD1-ND1 3.44Å; L352-H388 HydrophobicContact CD2-CB 4.43Å
353E93.6Very high92.4Very high75 Ų7594.2 Ų94.235%0.3547%0.467SS..Hα-helixtrans-64.8-42173.5-75.8174.9-163.100111.9R349 R350 R356 K357R349-E353 IonicContact CZ-OE1 3.83Å; R349-E353 IonicContact NH1-OE1 3.23Å; R349-E353 PolarHBondContact NH1-OE1 2.89Å; R349-E353 IonicContact NH1-OE2 3.23Å; R349-E353 WeakPolarHBondContact O-CG 3.22Å; R349-E353 PolarHBondContact O-N 2.97Å; R350-E353 PolarHBondContact O-N 3.2Å; E353-R356 PolarHBondContact O-N 3.44Å; E353-K357 WeakPolarHBondContact O-CG 3.46Å; E353-K357 PolarHBondContact O-N 3.39Å
354E94.9Very high92.1Very high129 Ų12990.8 Ų90.860%0.60345%0.45SS*.Hα-helixtrans-63.2-43.1174.5-173.3169.1-172.200111.4R350 A351 R356 K357 Y358R350-E354 PolarHBondContact O-N 2.89Å; A351-E354 PolarHBondContact O-N 2.83Å; E354-R356 PolarHBondContact O-N 3.24Å; E354-K357 PolarHBondContact O-N 2.91Å; E354-Y358 WeakPolarHBondContact O-CB 3.41Å; E354-Y358 PolarHBondContact O-N 2.91Å
355L93.3Very high91.9Very high81 Ų8191.8 Ų91.842%0.42446%0.455SS..Hα-helixtrans-59.7-44.4175.5-175.565.9000111.6A351 L352 K357 Y358 C359 F382A351-L355 WeakPolarHBondContact O-CB 3.45Å; A351-L355 PolarHBondContact O-N 3.36Å; L352-L355 PolarHBondContact O-N 3.4Å; L355-K357 PolarHBondContact O-N 2.72Å; L355-Y358 PolarHBondContact O-N 3.32Å; L355-C359 PolarHBondContact O-N 2.87Å; L355-C359 PolarHBondContact O-SG 3.32Å; L355-C359 VanDerWaalsContact O-SG 3.34Å; L355-F382 HydrophobicContact CD2-CE1 4.07Å; L355-F382 HydrophobicContact CD2-CZ 4.25Å; L355-F382 HydrophobicContact CG-CE1 4.43Å
356R92.1Very high91.5Very high63 Ų6388.3 Ų88.324%0.23845%0.445CS..Hα-helixtrans-61.5-43.4175.8-74.6172.1176.6-176.1-3.6112.1L352 E353 E354 Y358 C359 N360 F382 G385 S386L352-R356 WeakPolarHBondContact O-CG 3.39Å; L352-R356 PolarHBondContact O-N 3.03Å; E353-R356 PolarHBondContact O-N 3.44Å; E354-R356 PolarHBondContact O-N 3.24Å; R356-Y358 VanDerWaalsContact C-N 3.32Å; R356-C359 PolarHBondContact O-N 3.48Å; R356-N360 PolarHBondContact O-N 3.38Å; R356-N360 VanDerWaalsContact O-N 3.11Å; R356-N360 PolarHBondContact O-ND2 2.66Å; R356-N360 VanDerWaalsContact O-ND2 3.12Å; R356-F382 HydrophobicContact CG-CD1 4.44Å; R356-F382 HydrophobicContact CG-CE1 3.75Å; R356-F382 HydrophobicContact CG-CE2 4.16Å; R356-F382 HydrophobicContact CG-CZ 3.6Å; R356-F382 VanDerWaalsContact NE-CE2 3.34Å; R356-F382 PolarHBondContact NE-O 3.26Å; R356-G385 PolarHBondContact NH1-O 3.43Å; R356-G385 VanDerWaalsContact NH2-C 3.34Å; R356-G385 PolarHBondContact NH2-O 2.96Å; R356-S386 PolarHBondContact NH2-O 3.27Å
357K92.2Very high91Very high150 Ų15093.4 Ų93.465%0.65246%0.459SS*.Hα-helixtrans-61.7-43.2175.9-72.7172.3-174.5170.80111E353 E354 L355 N360 S361E353-K357 WeakPolarHBondContact O-CG 3.46Å; E353-K357 PolarHBondContact O-N 3.39Å; E354-K357 PolarHBondContact O-N 2.91Å; L355-K357 PolarHBondContact O-N 2.72Å; K357-N360 PolarHBondContact O-N 2.99Å; K357-S361 PolarHBondContact O-N 3.41Å; K357-S361 VanDerWaalsContact O-N 3.14Å
358Y92.8Very high90.6Very high124 Ų12494.6 Ų94.649%0.48646%0.463SS..Hα-helixtrans-63-45.1177.1-177.7-108.1000111.8E354 L355 R356 N360 S361 F364E354-Y358 WeakPolarHBondContact O-CB 3.41Å; E354-Y358 PolarHBondContact O-N 2.91Å; L355-Y358 PolarHBondContact O-N 3.32Å; R356-Y358 VanDerWaalsContact C-N 3.32Å; Y358-N360 PolarHBondContact O-N 3Å; Y358-S361 VanDerWaalsContact O-CB 3.27Å; Y358-S361 WeakPolarHBondContact O-CB 3.49Å; Y358-S361 PolarHBondContact O-N 3.04Å; Y358-S361 PolarHBondContact O-OG 3.45Å; Y358-F364 HydrophobicContact CD1-CD2 4.04Å; Y358-F364 AromaticContact CE1-CD2 3.65Å; Y358-F364 HydrophobicContact CE1-CD2 3.65Å; Y358-F364 HydrophobicContact CE1-CE2 4.39Å; Y358-F364 WeakPolarHBondContact O-CB 3.18Å
359C89.2Confident90.3Very high11 Ų1192.3 Ų92.37%0.07445%0.451CS..Hα-helixtrans-64.5-25.9177.6-69.30000113.9L355 R356 F364 I383L355-C359 PolarHBondContact O-N 2.87Å; L355-C359 PolarHBondContact O-SG 3.32Å; L355-C359 VanDerWaalsContact O-SG 3.34Å; R356-C359 PolarHBondContact O-N 3.48Å; C359-F364 HydrophobicContact CB-CD1 4.17Å; C359-F364 HydrophobicContact CB-CE1 4.18Å; C359-F364 WeakPolarHBondContact O-CD1 3.3Å; C359-I383 HydrophobicContact CB-CD1 3.88Å; C359-I383 HydrophobicContact CB-CG1 3.94Å
360N86.3Confident90Very high111 Ų11188 Ų8859%0.59444%0.44SS*.THydrogen-bonded Turntrans-86.9-5.6173.5-75.6-44.3000113.7R356 K357 Y358 I383R356-N360 PolarHBondContact O-N 3.38Å; R356-N360 VanDerWaalsContact O-N 3.11Å; R356-N360 PolarHBondContact O-ND2 2.66Å; R356-N360 VanDerWaalsContact O-ND2 3.12Å; K357-N360 PolarHBondContact O-N 2.99Å; Y358-N360 PolarHBondContact O-N 3Å; N360-I383 WeakPolarHBondContact OD1-CG2 3.28Å
361S90.3Very high89.6Confident31 Ų3185.3 Ų85.322%0.21744%0.444CS..SBendtrans-77.6150.8178.778.50000111.3K357 Y358 D363 F364K357-S361 PolarHBondContact O-N 3.41Å; K357-S361 VanDerWaalsContact O-N 3.14Å; Y358-S361 VanDerWaalsContact O-CB 3.27Å; Y358-S361 WeakPolarHBondContact O-CB 3.49Å; Y358-S361 PolarHBondContact O-N 3.04Å; Y358-S361 PolarHBondContact O-OG 3.45Å; S361-D363 PolarHBondContact O-N 3.21Å; S361-D363 VanDerWaalsContact O-N 3.16Å; S361-F364 PolarHBondContact O-N 3.31Å
362P84.9Confident89.4Confident129 Ų12991.8 Ų91.884%0.83846%0.457SS*.THydrogen-bonded Turntrans-66.1-14.4177.928.4-35.6000113.4
363D86Confident89.2Confident136 Ų13693.4 Ų93.473%0.72747%0.465SS*.THydrogen-bonded Turntrans-83.6-13.6-179.9-61.5-33.7000112.9S361S361-D363 PolarHBondContact O-N 3.21Å; S361-D363 VanDerWaalsContact O-N 3.16Å
364F87.8Confident88.9Confident36 Ų3699.7 Ų99.716%0.15849%0.494CS..SBendtrans-80.5143.5174.9-176.9-111.7000110.8Y358 C359 S361 P366 A369 F379Y358-F364 HydrophobicContact CD1-CD2 4.04Å; Y358-F364 AromaticContact CE1-CD2 3.65Å; Y358-F364 HydrophobicContact CE1-CD2 3.65Å; Y358-F364 HydrophobicContact CE1-CE2 4.39Å; Y358-F364 WeakPolarHBondContact O-CB 3.18Å; C359-F364 HydrophobicContact CB-CD1 4.17Å; C359-F364 HydrophobicContact CB-CE1 4.18Å; C359-F364 WeakPolarHBondContact O-CD1 3.3Å; S361-F364 PolarHBondContact O-N 3.31Å; F364-P366 HydrophobicContact CD1-CB 4.5Å; F364-P366 HydrophobicContact CD1-CG 4.12Å; F364-P366 HydrophobicContact CE1-CB 4.41Å; F364-P366 VanDerWaalsContact O-CD 3.27Å; F364-P366 WeakPolarHBondContact O-CD 3.48Å; F364-A369 HydrophobicContact CE1-CB 4.21Å; F364-A369 HydrophobicContact CE2-CB 4.31Å; F364-A369 HydrophobicContact CZ-CB 3.52Å; F364-F379 HydrophobicContact CE1-CE1 4.19Å; F364-F379 AromaticContact CE1-CZ 3.91Å; F364-F379 HydrophobicContact CE1-CZ 3.91Å; F364-F379 HydrophobicContact CZ-CE1 4.33Å; F364-F379 AromaticContact CZ-CZ 3.76Å; F364-F379 HydrophobicContact CZ-CZ 3.76Å
365S87.6Confident88.5Confident63 Ų6396 Ų9644%0.44148%0.483SS..  trans-10692.4-179.951.40000111.5W367 K368 A369S365-W367 PolarHBondContact O-N 2.98Å; S365-K368 PolarHBondContact O-N 2.97Å; S365-A369 PolarHBondContact O-N 2.75Å
366P85.9Confident88.3Confident67 Ų6794.7 Ų94.744%0.43548%0.48SS..Hα-helixtrans-66.6-41.9-165.8-21.835.4000112.9F364 K368 A369 V370F364-P366 HydrophobicContact CD1-CB 4.5Å; F364-P366 HydrophobicContact CD1-CG 4.12Å; F364-P366 HydrophobicContact CE1-CB 4.41Å; F364-P366 VanDerWaalsContact O-CD 3.27Å; F364-P366 WeakPolarHBondContact O-CD 3.48Å; P366-K368 VanDerWaalsContact C-N 3.31Å; P366-K368 PolarHBondContact O-N 2.68Å; P366-A369 PolarHBondContact O-N 3.06Å; P366-V370 WeakPolarHBondContact O-CB 3.33Å; P366-V370 VanDerWaalsContact O-CG2 3.3Å; P366-V370 WeakPolarHBondContact O-CG2 3.31Å; P366-V370 PolarHBondContact O-N 3.21Å
367W84.6Confident88.1Confident212 Ų212100 Ų10080%0.80350%0.504SS*.Hα-helixtrans-68.3-28.4-178.2-60.8112.4000113.5S365 S371S365-W367 PolarHBondContact O-N 2.98Å; W367-S371 WeakPolarHBondContact O-CB 3.04Å; W367-S371 PolarHBondContact O-N 2.98Å; W367-S371 VanDerWaalsContact O-N 3.16Å; W367-S371 PolarHBondContact O-OG 3.46Å
368K87.5Confident87.9Confident120 Ų12096.4 Ų96.452%0.52249%0.487SS..Hα-helixtrans-74.6-34.5175.3-170.8178.5-179.7-178.70111.6S365 P366 S371 R372S365-K368 PolarHBondContact O-N 2.97Å; P366-K368 VanDerWaalsContact C-N 3.31Å; P366-K368 PolarHBondContact O-N 2.68Å; K368-S371 PolarHBondContact O-OG 2.97Å; K368-S371 VanDerWaalsContact O-OG 3.04Å; K368-R372 WeakPolarHBondContact O-CG 3.47Å
369A87.4Confident87.8Confident23 Ų2392.4 Ų92.419%0.1947%0.472CS..Hα-helixtrans-71.2-49.4173.100000111.1F364 S365 P366 S371 R372 L373F364-A369 HydrophobicContact CE1-CB 4.21Å; F364-A369 HydrophobicContact CE2-CB 4.31Å; F364-A369 HydrophobicContact CZ-CB 3.52Å; S365-A369 PolarHBondContact O-N 2.75Å; P366-A369 PolarHBondContact O-N 3.06Å; A369-S371 VanDerWaalsContact C-N 3.28Å; A369-S371 PolarHBondContact O-N 2.97Å; A369-R372 PolarHBondContact O-N 3.45Å; A369-L373 VanDerWaalsContact O-CG 3.31Å; A369-L373 WeakPolarHBondContact O-CG 3.33Å; A369-L373 PolarHBondContact O-N 2.93Å
370V87.7Confident87.7Confident45 Ų4593.9 Ų93.927%0.27349%0.485SS..Hα-helixtrans-55.6-39.7179.7163.80000112.7P366 R372 L373 P376P366-V370 WeakPolarHBondContact O-CB 3.33Å; P366-V370 VanDerWaalsContact O-CG2 3.3Å; P366-V370 WeakPolarHBondContact O-CG2 3.31Å; P366-V370 PolarHBondContact O-N 3.21Å; V370-R372 PolarHBondContact O-N 3.42Å; V370-L373 PolarHBondContact O-N 3.47Å; V370-P376 HydrophobicContact CG1-CB 3.89Å; V370-P376 HydrophobicContact CG1-CG 4.08Å
371S87.9Confident87.9Confident93 Ų9392.4 Ų92.465%0.6548%0.477SS*.THydrogen-bonded Turntrans-68.4-19.2178.652.20000114.5W367 K368 A369W367-S371 WeakPolarHBondContact O-CB 3.04Å; W367-S371 PolarHBondContact O-N 2.98Å; W367-S371 VanDerWaalsContact O-N 3.16Å; W367-S371 PolarHBondContact O-OG 3.46Å; K368-S371 PolarHBondContact O-OG 2.97Å; K368-S371 VanDerWaalsContact O-OG 3.04Å; A369-S371 VanDerWaalsContact C-N 3.28Å; A369-S371 PolarHBondContact O-N 2.97Å
372R91.3Very high88Confident191 Ų19191.7 Ų91.772%0.72147%0.47SS*.THydrogen-bonded Turntrans-98.6-16.8-179.6-67.1178.4174.5-163.1-5.7113.4K368 A369 V370K368-R372 WeakPolarHBondContact O-CG 3.47Å; A369-R372 PolarHBondContact O-N 3.45Å; V370-R372 PolarHBondContact O-N 3.42Å
373L89.7Confident88.2Confident71 Ų7187.2 Ų87.237%0.37244%0.439SS..  trans-85.4137.2-175-70.4167.8000111.2A369 V370 S375 F379A369-L373 VanDerWaalsContact O-CG 3.31Å; A369-L373 WeakPolarHBondContact O-CG 3.33Å; A369-L373 PolarHBondContact O-N 2.93Å; V370-L373 PolarHBondContact O-N 3.47Å; L373-S375 VanDerWaalsContact C-N 3.28Å; L373-S375 PolarHBondContact O-N 2.93Å; L373-F379 HydrophobicContact CD1-CB 3.75Å; L373-F379 HydrophobicContact CD1-CD1 3.74Å; L373-F379 HydrophobicContact CD1-CD2 3.86Å; L373-F379 HydrophobicContact CD1-CE1 4.27Å; L373-F379 HydrophobicContact CD1-CE2 4.39Å; L373-F379 HydrophobicContact CD1-CG 3.5Å; L373-F379 VanDerWaalsContact CD1-CG 3.5Å
374Q86.8Confident88.3Confident207 Ų20788.5 Ų88.597%0.96744%0.44SS*.SBendtrans-65.2-32.5175.9-67.9-171.8-6.300112.5
375S87.6Confident88.2Confident52 Ų5288.7 Ų88.736%0.36445%0.452SS..  trans-133.384.7-178.160.80000112L373 K377 R378L373-S375 VanDerWaalsContact C-N 3.28Å; L373-S375 PolarHBondContact O-N 2.93Å; S375-K377 VanDerWaalsContact C-N 3.28Å; S375-K377 PolarHBondContact O-N 3.25Å; S375-R378 PolarHBondContact O-N 3.04Å; S375-R378 WeakPolarHBondContact OG-CD 3.32Å
376P89.1Confident88.2Confident54 Ų5488.3 Ų88.335%0.35145%0.45SS..Hα-helixtrans-60.8-32.5-178.5-2837.1000114.5V370 F379 A380V370-P376 HydrophobicContact CG1-CB 3.89Å; V370-P376 HydrophobicContact CG1-CG 4.08Å; P376-F379 WeakPolarHBondContact O-CB 3.21Å; P376-F379 PolarHBondContact O-N 2.99Å; P376-A380 PolarHBondContact O-N 2.82Å; P376-A380 VanDerWaalsContact O-N 3.09Å
377K87.2Confident88.3Confident175 Ų17590 Ų9076%0.76146%0.461SS*.Hα-helixtrans-61.6-46.9179.1-66.2-173.9177.6-176.50112.2S375 F379 A380 D381S375-K377 VanDerWaalsContact C-N 3.28Å; S375-K377 PolarHBondContact O-N 3.25Å; K377-F379 PolarHBondContact O-N 3.24Å; K377-A380 WeakPolarHBondContact O-CB 3.3Å; K377-A380 PolarHBondContact O-N 3.16Å; K377-A380 VanDerWaalsContact O-N 3.15Å; K377-D381 VanDerWaalsContact O-CG 3.23Å; K377-D381 PolarHBondContact O-N 2.88Å
378R88.8Confident88.4Confident74 Ų7484 Ų8428%0.27944%0.441SS..Hα-helixtrans-58.8-36.3176.9-68.8-17766.4165.44.1112.6S375 F382 K390 E393S375-R378 PolarHBondContact O-N 3.04Å; S375-R378 WeakPolarHBondContact OG-CD 3.32Å; R378-F382 WeakPolarHBondContact O-CB 3.43Å; R378-F382 PolarHBondContact O-N 3Å; R378-K390 VanDerWaalsContact CD-CE 3.47Å; R378-E393 IonicContact CZ-OE1 3.94Å; R378-E393 VanDerWaalsContact CZ-OE1 3.24Å; R378-E393 IonicContact CZ-OE2 3.67Å; R378-E393 IonicContact NH1-OE1 3.52Å; R378-E393 PolarHBondContact NH1-OE1 3.38Å; R378-E393 IonicContact NH1-OE2 2.97Å; R378-E393 VanDerWaalsContact NH2-CD 3.27Å; R378-E393 IonicContact NH2-OE1 3.56Å; R378-E393 PolarHBondContact NH2-OE1 2.98Å; R378-E393 IonicContact NH2-OE2 2.77Å; R378-E393 PolarHBondContact NH2-OE2 3.36Å
379F89.7Confident88.5Confident39 Ų3982.3 Ų82.317%0.17144%0.438CS..Hα-helixtrans-70-41179.4177.1-108.6000111.6F364 L373 P376 K377 F382 I383F364-F379 HydrophobicContact CE1-CE1 4.19Å; F364-F379 AromaticContact CE1-CZ 3.91Å; F364-F379 HydrophobicContact CE1-CZ 3.91Å; F364-F379 HydrophobicContact CZ-CE1 4.33Å; F364-F379 AromaticContact CZ-CZ 3.76Å; F364-F379 HydrophobicContact CZ-CZ 3.76Å; L373-F379 HydrophobicContact CD1-CB 3.75Å; L373-F379 HydrophobicContact CD1-CD1 3.74Å; L373-F379 HydrophobicContact CD1-CD2 3.86Å; L373-F379 HydrophobicContact CD1-CE1 4.27Å; L373-F379 HydrophobicContact CD1-CE2 4.39Å; L373-F379 HydrophobicContact CD1-CG 3.5Å; L373-F379 VanDerWaalsContact CD1-CG 3.5Å; P376-F379 WeakPolarHBondContact O-CB 3.21Å; P376-F379 PolarHBondContact O-N 2.99Å; K377-F379 PolarHBondContact O-N 3.24Å; F379-F382 PolarHBondContact O-N 3.28Å; F379-I383 HydrophobicContact CD1-CD1 3.9Å; F379-I383 HydrophobicContact CE1-CD1 3.36Å; F379-I383 HydrophobicContact CE1-CG1 4.42Å; F379-I383 HydrophobicContact CE2-CD1 4.11Å; F379-I383 HydrophobicContact CE2-CG1 4.41Å; F379-I383 HydrophobicContact CG-CD1 4.49Å; F379-I383 HydrophobicContact CZ-CD1 3.48Å; F379-I383 VanDerWaalsContact CZ-CD1 3.48Å; F379-I383 HydrophobicContact CZ-CG1 4.24Å; F379-I383 WeakPolarHBondContact O-CG1 3.35Å; F379-I383 PolarHBondContact O-N 3.27Å; F379-I383 VanDerWaalsContact O-N 3.08Å
380A88.8Confident88.5Confident43 Ų4385.7 Ų85.736%0.35545%0.448SS..Hα-helixtrans-61.1-48.9172.800000111.3P376 K377 F382 I383 E384P376-A380 PolarHBondContact O-N 2.82Å; P376-A380 VanDerWaalsContact O-N 3.09Å; K377-A380 WeakPolarHBondContact O-CB 3.3Å; K377-A380 PolarHBondContact O-N 3.16Å; K377-A380 VanDerWaalsContact O-N 3.15Å; A380-F382 PolarHBondContact O-N 3.09Å; A380-I383 PolarHBondContact O-N 3.29Å; A380-I383 VanDerWaalsContact O-N 3.1Å; A380-E384 PolarHBondContact O-N 3.35Å
381D89.7Confident88.5Confident79 Ų7988.7 Ų88.742%0.42247%0.471SS..Hα-helixtrans-58-37.1178.3-58.3-27.2000111.9K377 E384 G385 S386K377-D381 VanDerWaalsContact O-CG 3.23Å; K377-D381 PolarHBondContact O-N 2.88Å; D381-E384 PolarHBondContact O-N 3.22Å; D381-G385 PolarHBondContact O-N 3.34Å; D381-S386 WeakPolarHBondContact O-CB 3.2Å; D381-S386 PolarHBondContact O-N 2.89Å; D381-S386 PolarHBondContact O-OG 3.49Å; D381-S386 VanDerWaalsContact O-OG 3.06Å
382F91.9Very high88.6Confident17 Ų1788.5 Ų88.58%0.07546%0.463CS..Hα-helixtrans-66.8-42.9176.2168.5-103.6000113.1L352 L355 R356 R378 F379 A380 E384 G385 H388L352-F382 HydrophobicContact CD2-CE2 4.15Å; L352-F382 HydrophobicContact CD2-CZ 3.98Å; L355-F382 HydrophobicContact CD2-CE1 4.07Å; L355-F382 HydrophobicContact CD2-CZ 4.25Å; L355-F382 HydrophobicContact CG-CE1 4.43Å; R356-F382 HydrophobicContact CG-CD1 4.44Å; R356-F382 HydrophobicContact CG-CE1 3.75Å; R356-F382 HydrophobicContact CG-CE2 4.16Å; R356-F382 HydrophobicContact CG-CZ 3.6Å; R356-F382 VanDerWaalsContact NE-CE2 3.34Å; R356-F382 PolarHBondContact NE-O 3.26Å; R378-F382 WeakPolarHBondContact O-CB 3.43Å; R378-F382 PolarHBondContact O-N 3Å; F379-F382 PolarHBondContact O-N 3.28Å; A380-F382 PolarHBondContact O-N 3.09Å; F382-E384 VanDerWaalsContact C-N 3.27Å; F382-E384 PolarHBondContact O-N 3.04Å; F382-G385 PolarHBondContact O-N 2.73Å; F382-G385 VanDerWaalsContact O-N 3.13Å; F382-H388 HydrophobicContact CD2-CB 3.74Å; F382-H388 HydrophobicContact CE2-CB 3.75Å
383I89.6Confident88.4Confident34 Ų3482.5 Ų82.517%0.17444%0.443CS..Hα-helixtrans-62.9-38.3176.3-69.7170.1000110.5C359 N360 F379 A380 G385C359-I383 HydrophobicContact CB-CD1 3.88Å; C359-I383 HydrophobicContact CB-CG1 3.94Å; N360-I383 WeakPolarHBondContact OD1-CG2 3.28Å; F379-I383 HydrophobicContact CD1-CD1 3.9Å; F379-I383 HydrophobicContact CE1-CD1 3.36Å; F379-I383 HydrophobicContact CE1-CG1 4.42Å; F379-I383 HydrophobicContact CE2-CD1 4.11Å; F379-I383 HydrophobicContact CE2-CG1 4.41Å; F379-I383 HydrophobicContact CG-CD1 4.49Å; F379-I383 HydrophobicContact CZ-CD1 3.48Å; F379-I383 VanDerWaalsContact CZ-CD1 3.48Å; F379-I383 HydrophobicContact CZ-CG1 4.24Å; F379-I383 WeakPolarHBondContact O-CG1 3.35Å; F379-I383 PolarHBondContact O-N 3.27Å; F379-I383 VanDerWaalsContact O-N 3.08Å; A380-I383 PolarHBondContact O-N 3.29Å; A380-I383 VanDerWaalsContact O-N 3.1Å; I383-G385 PolarHBondContact O-N 3.38Å
384E87.6Confident88.4Confident164 Ų16482.7 Ų82.777%0.76645%0.447SS*.THydrogen-bonded Turntrans-70.1-8.9177.1-70.1-178.4-17600113.5A380 D381 F382A380-E384 PolarHBondContact O-N 3.35Å; D381-E384 PolarHBondContact O-N 3.22Å; F382-E384 VanDerWaalsContact C-N 3.27Å; F382-E384 PolarHBondContact O-N 3.04Å
385G85.8Confident88.3Confident39 Ų3976 Ų7640%0.40242%0.423SS..THydrogen-bonded Turntrans117.9-4.1171.200000114.8R356 D381 F382 I383R356-G385 PolarHBondContact NH1-O 3.43Å; R356-G385 VanDerWaalsContact NH2-C 3.34Å; R356-G385 PolarHBondContact NH2-O 2.96Å; D381-G385 PolarHBondContact O-N 3.34Å; F382-G385 PolarHBondContact O-N 2.73Å; F382-G385 VanDerWaalsContact O-N 3.13Å; I383-G385 PolarHBondContact O-N 3.38Å
386S88.4Confident88.4Confident56 Ų5677.2 Ų77.239%0.39243%0.428SS..  trans-65.6149.6177.6-53.90000111.7R356 D381R356-S386 PolarHBondContact NH2-O 3.27Å; D381-S386 WeakPolarHBondContact O-CB 3.2Å; D381-S386 PolarHBondContact O-N 2.89Å; D381-S386 PolarHBondContact O-OG 3.49Å; D381-S386 VanDerWaalsContact O-OG 3.06Å
387P87.7Confident88.2Confident103 Ų10380.1 Ų80.167%0.66944%0.437SS*.  trans-54.2145.4177.2-25.434.5000112.9L389P387-L389 VanDerWaalsContact C-N 3.28Å; P387-L389 PolarHBondContact O-N 3.04Å
388H87.1Confident88Confident84 Ų8474.6 Ų74.639%0.38942%0.424SS..SBendtrans-69-28.3179.263-70.5000112.5L352 F382L352-H388 WeakPolarHBondContact CD1-CE1 3.49Å; L352-H388 VanDerWaalsContact CD1-ND1 3.32Å; L352-H388 WeakPolarHBondContact CD1-ND1 3.44Å; L352-H388 HydrophobicContact CD2-CB 4.43Å; F382-H388 HydrophobicContact CD2-CB 3.74Å; F382-H388 HydrophobicContact CE2-CB 3.75Å
389L89Confident87.7Confident86 Ų8678.8 Ų78.845%0.4545%0.447SS..SBendtrans-98.1141.4175.7-55.4175.9000110.6P387 V394P387-L389 VanDerWaalsContact C-N 3.28Å; P387-L389 PolarHBondContact O-N 3.04Å; L389-V394 HydrophobicContact CB-CG2 3.7Å; L389-V394 HydrophobicContact CD1-CG2 4.04Å
390K87.7Confident87.1Confident93 Ų9382.8 Ų82.840%0.40447%0.466SS..  trans-79.2152.6169.8-71.7171.8172.1173.90110.5R378 N392 E393 V394R378-K390 VanDerWaalsContact CD-CE 3.47Å; K390-N392 WeakPolarHBondContact CB-OD1 3.42Å; K390-N392 PolarHBondContact O-N 3.42Å; K390-E393 HydrophobicContact CB-CB 4.46Å; K390-E393 HydrophobicContact CB-CG 4.19Å; K390-E393 PolarHBondContact N-OE2 2.72Å; K390-E393 WeakPolarHBondContact O-CB 3.33Å; K390-E393 PolarHBondContact O-N 3.49Å; K390-V394 WeakPolarHBondContact O-CG2 3.48Å; K390-V394 PolarHBondContact O-N 3.39Å
391S87.3Confident86.3Confident109 Ų10986.1 Ų86.176%0.76247%0.47SS*.Hα-helixtrans-57.2-34.7176.853.30000113.2S395S391-S395 WeakPolarHBondContact O-CB 3.44Å; S391-S395 PolarHBondContact O-N 3.31Å; S391-S395 PolarHBondContact O-OG 2.99Å
392N89Confident85.3Confident89 Ų8983.5 Ų83.548%0.47646%0.461SS..Hα-helixtrans-68.5-40.3175.873.2-32.1000112.4K390 S395 V396K390-N392 WeakPolarHBondContact CB-OD1 3.42Å; K390-N392 PolarHBondContact O-N 3.42Å; N392-S395 WeakPolarHBondContact CA-OG 3.49Å; N392-S395 PolarHBondContact O-N 3.4Å; N392-S395 PolarHBondContact O-OG 3.15Å; N392-V396 VanDerWaalsContact O-CG2 3.29Å; N392-V396 WeakPolarHBondContact O-CG2 3.27Å; N392-V396 PolarHBondContact O-N 3.24Å
393E88.9Confident83.8Confident65 Ų6592.6 Ų92.630%0.30450%0.501SS..Hα-helixtrans-64.2-44177.1-69.2165.8175.400110.6R378 K390 S395 V396 H397R378-E393 IonicContact CZ-OE1 3.94Å; R378-E393 VanDerWaalsContact CZ-OE1 3.24Å; R378-E393 IonicContact CZ-OE2 3.67Å; R378-E393 IonicContact NH1-OE1 3.52Å; R378-E393 PolarHBondContact NH1-OE1 3.38Å; R378-E393 IonicContact NH1-OE2 2.97Å; R378-E393 VanDerWaalsContact NH2-CD 3.27Å; R378-E393 IonicContact NH2-OE1 3.56Å; R378-E393 PolarHBondContact NH2-OE1 2.98Å; R378-E393 IonicContact NH2-OE2 2.77Å; R378-E393 PolarHBondContact NH2-OE2 3.36Å; K390-E393 HydrophobicContact CB-CB 4.46Å; K390-E393 HydrophobicContact CB-CG 4.19Å; K390-E393 PolarHBondContact N-OE2 2.72Å; K390-E393 WeakPolarHBondContact O-CB 3.33Å; K390-E393 PolarHBondContact O-N 3.49Å; E393-S395 VanDerWaalsContact C-N 3.31Å; E393-S395 PolarHBondContact O-N 2.84Å; E393-V396 PolarHBondContact O-N 3.23Å; E393-H397 WeakPolarHBondContact O-CB 3.49Å; E393-H397 PolarHBondContact O-N 3.08Å
394V88.2Confident82.4Confident74 Ų7493.7 Ų93.745%0.44852%0.521SS..Hα-helixtrans-61.5-41.3174.2179.50000110.8L389 K390 A398L389-V394 HydrophobicContact CB-CG2 3.7Å; L389-V394 HydrophobicContact CD1-CG2 4.04Å; K390-V394 WeakPolarHBondContact O-CG2 3.48Å; K390-V394 PolarHBondContact O-N 3.39Å; V394-A398 VanDerWaalsContact O-CB 3.22Å; V394-A398 WeakPolarHBondContact O-CB 3.17Å; V394-A398 PolarHBondContact O-N 3.29Å
395S86.1Confident81Confident67 Ų6786.4 Ų86.447%0.46949%0.49SS..Hα-helixtrans-68.4-36.8178.367.90000113.5S391 N392 E393 A398 Q399S391-S395 WeakPolarHBondContact O-CB 3.44Å; S391-S395 PolarHBondContact O-N 3.31Å; S391-S395 PolarHBondContact O-OG 2.99Å; N392-S395 WeakPolarHBondContact CA-OG 3.49Å; N392-S395 PolarHBondContact O-N 3.4Å; N392-S395 PolarHBondContact O-OG 3.15Å; E393-S395 VanDerWaalsContact C-N 3.31Å; E393-S395 PolarHBondContact O-N 2.84Å; S395-A398 PolarHBondContact O-N 3.11Å; S395-Q399 WeakPolarHBondContact O-CB 3.36Å; S395-Q399 PolarHBondContact O-N 3.24Å
396V88.3Confident79.6Confident77 Ų7787.4 Ų87.447%0.46749%0.491SS..Hα-helixtrans-67.9-46176.1170.50000109.7N392 E393 A398 Q399 E400N392-V396 VanDerWaalsContact O-CG2 3.29Å; N392-V396 WeakPolarHBondContact O-CG2 3.27Å; N392-V396 PolarHBondContact O-N 3.24Å; E393-V396 PolarHBondContact O-N 3.23Å; V396-A398 VanDerWaalsContact C-N 3.34Å; V396-A398 PolarHBondContact O-N 3.36Å; V396-Q399 WeakPolarHBondContact O-CB 3.3Å; V396-Q399 PolarHBondContact O-N 3.04Å; V396-Q399 VanDerWaalsContact O-N 3.1Å; V396-E400 WeakPolarHBondContact O-CB 3.35Å; V396-E400 PolarHBondContact O-N 3.1Å
397H84.8Confident78.1Confident115 Ų11592.3 Ų92.353%0.53251%0.505SS..Hα-helixtrans-60.6-43.3174.9-175.8-74.5000111.9E393 Q399 E400 Y401E393-H397 WeakPolarHBondContact O-CB 3.49Å; E393-H397 PolarHBondContact O-N 3.08Å; H397-Q399 PolarHBondContact O-N 3.16Å; H397-E400 PolarHBondContact O-N 2.65Å; H397-Y401 AromaticContact CD2-CD2 3.83Å; H397-Y401 AromaticContact NE2-CD2 3.85Å; H397-Y401 WeakPolarHBondContact O-CB 3.27Å; H397-Y401 PolarHBondContact O-N 2.99Å
398A83.6Confident76.5Confident59 Ų5994.6 Ų94.649%0.48851%0.505SS..Hα-helixtrans-66.9-25.3176.700000112.9V394 S395 V396 G402V394-A398 VanDerWaalsContact O-CB 3.22Å; V394-A398 WeakPolarHBondContact O-CB 3.17Å; V394-A398 PolarHBondContact O-N 3.29Å; S395-A398 PolarHBondContact O-N 3.11Å; V396-A398 VanDerWaalsContact C-N 3.34Å; V396-A398 PolarHBondContact O-N 3.36Å; A398-G402 WeakPolarHBondContact O-CA 3.44Å; A398-G402 PolarHBondContact O-N 3.26Å
399Q82.1Confident75.2Confident163 Ų16394.9 Ų94.976%0.76251%0.506SS*.Hα-helixtrans-79.2-39.6173.9-177177.4-2.500111.7S395 V396 H397S395-Q399 WeakPolarHBondContact O-CB 3.36Å; S395-Q399 PolarHBondContact O-N 3.24Å; V396-Q399 WeakPolarHBondContact O-CB 3.3Å; V396-Q399 PolarHBondContact O-N 3.04Å; V396-Q399 VanDerWaalsContact O-N 3.1Å; H397-Q399 PolarHBondContact O-N 3.16Å
400E78.4Confident73.7Confident122 Ų12296.3 Ų96.357%0.5751%0.514SS*.Hα-helixtrans-78.3-37.3-176.9-168.3164.3-153.800112.5V396 H397 G405V396-E400 WeakPolarHBondContact O-CB 3.35Å; V396-E400 PolarHBondContact O-N 3.1Å; H397-E400 PolarHBondContact O-N 2.65Å; E400-G405 VanDerWaalsContact O-CA 3.27Å; E400-G405 WeakPolarHBondContact O-CA 3.09Å
401Y70.5Confident72.2Confident114 Ų11498.3 Ų98.345%0.44753%0.525SS..SBendtrans-11711.6-177-61.7-86.2000113.3H397H397-Y401 AromaticContact CD2-CD2 3.83Å; H397-Y401 AromaticContact NE2-CD2 3.85Å; H397-Y401 WeakPolarHBondContact O-CB 3.27Å; H397-Y401 PolarHBondContact O-N 2.99Å
402G69.8Low70.7Confident23 Ų23101 Ų10124%0.23752%0.524CS..SBendtrans-74.9-164.8174.200000113A398 G404 G405 S406A398-G402 WeakPolarHBondContact O-CA 3.44Å; A398-G402 PolarHBondContact O-N 3.26Å; G402-G404 PolarHBondContact O-N 3.06Å; G402-G405 PolarHBondContact O-N 2.94Å; G402-S406 PolarHBondContact O-N 3.13Å
403F59.8Low69.1Low209 Ų209104.4 Ų104.492%0.91753%0.534SS*.THydrogen-bonded Turntrans-53.7-17.2-176.6-171-100.6000115.6
404G59.8Low67.4Low57 Ų57107.7 Ų107.759%0.58855%0.554SS**THydrogen-bonded Turntrans-100.1-10.7173.900000115.6G402G402-G404 PolarHBondContact O-N 3.06Å
405G58.1Low65.6Low11 Ų11109.3 Ų109.311%0.11356%0.564CS.*THydrogen-bonded Turntrans-93.3-33.3-178.600000113.9E400 G402 F407 F408 E409E400-G405 VanDerWaalsContact O-CA 3.27Å; E400-G405 WeakPolarHBondContact O-CA 3.09Å; G402-G405 PolarHBondContact O-N 2.94Å; G405-F407 PolarHBondContact O-N 3.35Å; G405-F407 VanDerWaalsContact O-N 3.13Å; G405-F408 PolarHBondContact O-N 3.24Å; G405-E409 PolarHBondContact O-N 3.47Å
406S57.7Low63.9Low60 Ų60113.3 Ų113.342%0.4258%0.58SS.*Hα-helixtrans-59.1-2717865.50000113.3G402 F408G402-S406 PolarHBondContact O-N 3.13Å; S406-F408 VanDerWaalsContact C-N 3.29Å; S406-F408 PolarHBondContact O-N 3.47Å
407F55.9Low62.1Low158 Ų158117.1 Ų117.169%0.69360%0.598SS**Hα-helixtrans-70.7-22177.4-161.2-94.6000113.4G405G405-F407 PolarHBondContact O-N 3.35Å; G405-F407 VanDerWaalsContact O-N 3.13Å
408F55.5Low60.5Low152 Ų152119.2 Ų119.267%0.66761%0.613SS**Hα-helixtrans-94.2-21.7178.2-82.8-82.9000113.1G405 S406G405-F408 PolarHBondContact O-N 3.24Å; S406-F408 VanDerWaalsContact C-N 3.29Å; S406-F408 PolarHBondContact O-N 3.47Å
409E58.1Low58.7Low89 Ų89125.2 Ų125.242%0.41663%0.631SS.*Hα-helixtrans-73.3-42.6176-114.3178.8166.500111.6G405 E411 F412 F413G405-E409 PolarHBondContact O-N 3.47Å; E409-E411 VanDerWaalsContact C-N 3.27Å; E409-E411 PolarHBondContact O-N 3.22Å; E409-F412 PolarHBondContact O-N 3.39Å; E409-F412 VanDerWaalsContact O-N 3.1Å; E409-F413 HydrophobicContact CG-CE2 4.39Å; E409-F413 WeakPolarHBondContact O-CD2 3.33Å; E409-F413 PolarHBondContact O-N 3.02Å
410D57.6Low57.1Low116 Ų116125 Ų12562%0.6263%0.63SS**Hα-helixtrans-57.5-39.8176.8-72-23.5000111.6F412 D414D410-F412 VanDerWaalsContact C-N 3.32Å; D410-F412 PolarHBondContact O-N 2.87Å; D410-D414 WeakPolarHBondContact O-CB 3.37Å; D410-D414 PolarHBondContact O-N 3.21Å
411E56.8Low55.4Low136 Ų136128.3 Ų128.364%0.63665%0.646SS**Hα-helixtrans-73.3-19.1-179.8-164.2171.4-16900113.6E409E409-E411 VanDerWaalsContact C-N 3.27Å; E409-E411 PolarHBondContact O-N 3.22Å
412F56.4Low54Low166 Ų166131 Ų13173%0.72867%0.668SS**Hα-helixtrans-91.4-24.7-179.9-154.3-92.9000113E409 D410E409-F412 PolarHBondContact O-N 3.39Å; E409-F412 VanDerWaalsContact O-N 3.1Å; D410-F412 VanDerWaalsContact C-N 3.32Å; D410-F412 PolarHBondContact O-N 2.87Å
413F54.6Low52.6Low159 Ų159139.3 Ų139.370%0.69769%0.692SS**Hα-helixtrans-100-13179.3-75.2-80.4000114.1E409 T415E409-F413 HydrophobicContact CG-CE2 4.39Å; E409-F413 WeakPolarHBondContact O-CD2 3.33Å; E409-F413 PolarHBondContact O-N 3.02Å; F413-T415 VanDerWaalsContact C-N 3.29Å; F413-T415 PolarHBondContact O-N 3.12Å
414D53.8Low51.8Low134 Ų134138.6 Ų138.672%0.71769%0.691SS**THydrogen-bonded Turntrans-76.9-5.8176.7-112.7-4000114.5D410D410-D414 WeakPolarHBondContact O-CB 3.37Å; D410-D414 PolarHBondContact O-N 3.21Å
415T49.2Very low50.9Low109 Ų109145.4 Ų145.467%0.66971%0.708SS**THydrogen-bonded Turntrans-91.3-1.9-172.226.90000117.3F413F413-T415 VanDerWaalsContact C-N 3.29Å; F413-T415 PolarHBondContact O-N 3.12Å
416D52Low49.9Very low150 Ų150154 Ų15480%0.80275%0.745SS**SBendtrans-120.97.6-169.5-81.4-17.2000117
417D50.5Low48.9Very low158 Ų158159.1 Ų159.185%0.84577%0.767SS**SBendtrans-118.213.9-175.2-90.8-17.7000116.9
418D49.8Very low48.1Very low159 Ų159161 Ų16185%0.8578%0.775SS**SBendtrans-10422.2-174.4-83.3-18.7000116.7
419E46.7Very low47.5Very low185 Ų185159.3 Ų159.386%0.86478%0.779SS**SBendtrans-124.99.2-179-74-157.817700118.6
420E47.2Very low46.4Very low157 Ų157164.1 Ų164.173%0.73480%0.804SS**SBendtrans-126.318.2-176.1-81.3-95.3133.600117.4R423E420-R423 IonicContact OE1-NH2 2.86Å; E420-R423 PolarHBondContact OE1-NH2 2.96Å
421E43Very low45.6Very low193 Ų193166.3 Ų166.390%0.90281%0.814SS**SBendtrans-116.37.3175.9-94.8-169173.600117.8
422D41Very low44.7Very low170 Ų170169.7 Ų169.791%0.90983%0.827SS**SBendtrans-101.932.9-179.1-83.4-18.6000115.5
423R42Very low43.7Very low197 Ų197165.9 Ų165.974%0.74383%0.825SS**SBendtrans-12115.9-177.8-85.7-158.8-64.6-103.6-3118.8E420E420-R423 IonicContact OE1-NH2 2.86Å; E420-R423 PolarHBondContact OE1-NH2 2.96Å
424E42.7Very low42.9Very low194 Ų194171 Ų17191%0.90785%0.851SS**SBendtrans-128.83.2176.1-76.7-163.8161.800118.4
425E39.4Very low42.4Very low201 Ų201172.8 Ų172.894%0.93986%0.858SS**SBendtrans-10710.3-179.5-99.9-165.3171.500118
426E37.8Very low42Very low192 Ų192176.2 Ų176.290%0.89787%0.868SS**  trans-115.376.6173.1-102.4-16816400113.5
427L36.7Very low41.4Very low167 Ų167177.6 Ų177.687%0.87487%0.872SS**  trans-149.273.4152.2-14876.7000113.1
428K39.1Very low40.9Very low198 Ų198178.8 Ų178.886%0.86187%0.873SS**  trans-112.9112.3152.7-86.9-178.6179.8169.70108.8M430K428-M430 PolarHBondContact O-N 3.47Å
429P43.5Very low40.4Very low115 Ų115180 Ų18075%0.74788%0.875SS**  trans-78115.7167.329.2-28000109.3I431P429-I431 PolarHBondContact O-N 3.14Å
430M34.8Very low39.9Very low190 Ų190179.7 Ų179.794%0.93688%0.875SS**  trans-58.3121.9157.6-75.2-169.717000109K428K428-M430 PolarHBondContact O-N 3.47Å
431I40.8Very low39.4Very low162 Ų162181.3 Ų181.383%0.83189%0.885SS**  trans-98.1111.7161-64.3176.3000106.8P429P429-I431 PolarHBondContact O-N 3.14Å
432K38Very low39.1Very low208 Ų208180.4 Ų180.490%0.90488%0.884SS**  trans-125.8119.4159.6-166.3-176.2-173.8-177.60107.7
433A34.1Very low39Very low85 Ų85181.3 Ų181.370%0.70288%0.882SS**  trans-174.7136.1163.600000104.2
434E38.8Very low38.7Very low266 Ų266179.8 Ų179.8100%1.24390%0.895SS**  cis-165.600.7-153.2170.6-176.700104.5

Retrieved 434 of 434 residues in 386.6 ms (Link to these results)