A0A087XXE1_POEFO Loading...

Family with sequence similarity 124B

AlphaFold DB , UniProt , Accession A0A087XXE1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 536 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M39.8Very low35.4Very low239 Ų239156.9 Ų156.9100%1.17776%0.755SS**  060.50-174.9177.1171.600109.2
2C34.4Very low35Very low104 Ų104156 Ų15670%0.70374%0.74SS**  trans-135.1-3.2-169.5-53.60000114.6
3I36.5Very low35.1Very low148 Ų148152.8 Ų152.876%0.75975%0.745SS**THydrogen-bonded Turntrans-84.8-22.2-170.7-64.7170.9000112.1F5I3-F5 VanDerWaalsContact C-N 3.32Å; I3-F5 PolarHBondContact O-N 3.3Å
4S32Very low35.1Very low95 Ų95149.5 Ų149.566%0.66474%0.743SS**THydrogen-bonded Turntrans-75.7-9.8-174.8-47.90000115.6
5F33.2Very low35Very low161 Ų161147.7 Ų147.771%0.70674%0.736SS**THydrogen-bonded Turntrans-86.5-33.8-176.2-88.1-85.4000114I3 F7 F8I3-F5 VanDerWaalsContact C-N 3.32Å; I3-F5 PolarHBondContact O-N 3.3Å; F5-F7 PolarHBondContact O-N 3.41Å; F5-F8 PolarHBondContact O-N 3.2Å
6F38.8Very low34.9Very low185 Ų185144.7 Ų144.781%0.81173%0.733SS**Hα-helixtrans-67.6-34.5-178.2-95.1-87.6000113.4F8F6-F8 PolarHBondContact O-N 2.93Å
7F36.9Very low34.7Very low163 Ų163140.8 Ų140.872%0.71574%0.737SS**Hα-helixtrans-66.6-21.5175-90.8-85.9000113.8F5F5-F7 PolarHBondContact O-N 3.41Å
8F33.7Very low34.3Very low135 Ų135137.2 Ų137.259%0.59274%0.741SS**Hα-helixtrans-78.5-41-174.3-122.8-92000112.8F5 F6 F11 Y12F5-F8 PolarHBondContact O-N 3.2Å; F6-F8 PolarHBondContact O-N 2.93Å; F8-F11 PolarHBondContact O-N 3.19Å; F8-Y12 HydrophobicContact CD1-CD2 4.04Å; F8-Y12 HydrophobicContact CE1-CD2 4.15Å; F8-Y12 HydrophobicContact CE1-CE2 4.27Å; F8-Y12 PolarHBondContact O-N 3.14Å
9F35.1Very low34.1Very low168 Ų168135.7 Ų135.774%0.73775%0.749SS**Hα-helixtrans-69.9-40.9-171.7-108.6-88.3000113.9F11 Y12F9-F11 VanDerWaalsContact C-N 3.27Å; F9-F11 PolarHBondContact O-N 3.09Å; F9-Y12 PolarHBondContact O-N 2.95Å
10F35.9Very low33.9Very low191 Ų191132.6 Ų132.684%0.83875%0.749SS**Hα-helixtrans-69.6-24.5176.4-109.8-84.4000113.2
11F33.7Very low33.6Very low137 Ų137136 Ų13660%0.60176%0.756SS**Hα-helixtrans-83.2-31.8174.9-110.8-84.6000113.3F8 F9 S13 C14 L15F8-F11 PolarHBondContact O-N 3.19Å; F9-F11 VanDerWaalsContact C-N 3.27Å; F9-F11 PolarHBondContact O-N 3.09Å; F11-S13 VanDerWaalsContact C-N 3.35Å; F11-S13 PolarHBondContact O-N 3.15Å; F11-C14 CarbonylContact O-C 3.58Å; F11-C14 PolarHBondContact O-N 3.29Å; F11-L15 HydrophobicContact CD1-CD1 3.83Å; F11-L15 HydrophobicContact CE1-CD1 4.14Å; F11-L15 PolarHBondContact O-N 2.66Å
12Y30.2Very low33.5Very low146 Ų146132.1 Ų132.157%0.57374%0.738SS**Hα-helixtrans-63.8-38.4-173-142.4-96.5000112.9F8 F9 C14 L15F8-Y12 HydrophobicContact CD1-CD2 4.04Å; F8-Y12 HydrophobicContact CE1-CD2 4.15Å; F8-Y12 HydrophobicContact CE1-CE2 4.27Å; F8-Y12 PolarHBondContact O-N 3.14Å; F9-Y12 PolarHBondContact O-N 2.95Å; Y12-C14 PolarHBondContact O-N 3.02Å; Y12-C14 VanDerWaalsContact O-N 3.15Å; Y12-L15 CarbonylContact O-C 3.44Å; Y12-L15 PolarHBondContact O-N 3.06Å; Y12-L15 VanDerWaalsContact O-N 3.09Å
13S35.7Very low33.5Very low115 Ų115132.8 Ų132.880%0.80474%0.741SS**THydrogen-bonded Turntrans-66-11.5174.4-590000114.3F11F11-S13 VanDerWaalsContact C-N 3.35Å; F11-S13 PolarHBondContact O-N 3.15Å
14C35.8Very low33.6Very low106 Ų106129 Ų12972%0.71674%0.739SS**THydrogen-bonded Turntrans-107.9-3.5172.9-71.90000113.7F11 Y12F11-C14 CarbonylContact O-C 3.58Å; F11-C14 PolarHBondContact O-N 3.29Å; Y12-C14 PolarHBondContact O-N 3.02Å; Y12-C14 VanDerWaalsContact O-N 3.15Å
15L33.9Very low33.9Very low123 Ų123132.2 Ų132.264%0.64475%0.749SS**  trans-128.563.8178.3-99104.4000112.5F11 Y12F11-L15 HydrophobicContact CD1-CD1 3.83Å; F11-L15 HydrophobicContact CE1-CD1 4.14Å; F11-L15 PolarHBondContact O-N 2.66Å; Y12-L15 CarbonylContact O-C 3.44Å; Y12-L15 PolarHBondContact O-N 3.06Å; Y12-L15 VanDerWaalsContact O-N 3.09Å
16S33Very low33.9Very low99 Ų99132.7 Ų132.769%0.69276%0.758SS**  trans-135.337.1160.5-75.80000112.4
17G31.1Very low33.7Very low78 Ų78132.5 Ų132.580%0.80476%0.762SS**  trans-10079.2167.600000111.3A19G17-A19 PolarHBondContact O-N 2.8Å
18G28.7Very low33.6Very low77 Ų77130.9 Ų130.979%0.79477%0.771SS**  trans-65.4124.6-178.500000112.9G20G18-G20 PolarHBondContact O-N 2.7Å
19A30.4Very low33.6Very low109 Ų109127.8 Ų127.890%0.90178%0.777SS**  trans-75.592.2-176.900000112.7G17G17-A19 PolarHBondContact O-N 2.8Å
20G28.5Very low33.5Very low72 Ų72130.3 Ų130.374%0.74278%0.781SS**  trans-89.2116.8168.100000111.8G18G18-G20 PolarHBondContact O-N 2.7Å
21F28.7Very low33.5Very low206 Ų206128.8 Ų128.890%0.90479%0.788SS**  trans-93.9101.5-174.1-142.6-86.4000111.4
22I37.3Very low33.5Very low156 Ų156133.6 Ų133.680%0.880%0.802SS**  trans-136.6135.6172.8-61.4-67.7000108.4
23P34.3Very low33.7Very low118 Ų118135.4 Ų135.477%0.76682%0.816SS**  trans-98.4155.7-167.937.3-35.9000115.2
24G38.1Very low33.7Very low70 Ų70137.1 Ų137.172%0.72281%0.811SS**  trans102.7125.4147.900000118.2
25D38.3Very low33.6Very low161 Ų161143.7 Ų143.786%0.86182%0.821SS**  trans47.679.2144.3-58.5-15.5000120.7
26L34.3Very low33.7Very low171 Ų171145.3 Ų145.390%0.89583%0.825SS**  trans-152.536.9144.4-147.172.4000116
27M33.6Very low34.1Very low181 Ų181147.6 Ų147.689%0.89282%0.824SS**  trans-116.475.7-179.4-84.9-66.9-177.900114.3
28S35.6Very low35Very low130 Ų130152.2 Ų152.291%0.90983%0.825SS**SBendtrans-152.138.5161.2-150.70000112.9
29G33.2Very low36.6Very low70 Ų70154.8 Ų154.872%0.72282%0.82SS**SBendtrans-137.71.9-168.700000117.8
30R33.4Very low38.7Very low220 Ų220150.7 Ų150.783%0.8378%0.783SS**  trans-131.71-175.3-77.6-169.9172.5-169.6-2.2117.1R32R30-R32 PolarHBondContact O-N 3.02Å
31V35.2Very low41.3Very low160 Ų160149.3 Ų149.397%0.9776%0.761SS**THydrogen-bonded Turntrans-79.845.8176.3-160.90000111.9
32R34.1Very low44.2Very low237 Ų237139.5 Ų139.589%0.89472%0.718SS**THydrogen-bonded Turntrans-146.332.8169-144.8179.1-167.6-165.32.9112.3R30 Q34R30-R32 PolarHBondContact O-N 3.02Å; R32-Q34 PolarHBondContact O-N 2.85Å
33Q35.3Very low46.9Very low185 Ų185133 Ų13386%0.86468%0.684SS**  trans-56.6119164.2-162.4167.45.700107.5R35Q33-R35 PolarHBondContact O-N 2.85Å
34Q34.1Very low49.7Very low150 Ų150127.3 Ų127.370%0.70165%0.648SS**  trans-60.8140-177.9-75.8172.2-111.200109.5R32 Q36R32-Q34 PolarHBondContact O-N 2.85Å; Q34-Q36 PolarHBondContact O-N 3.19Å
35R35.1Very low52.4Low245 Ų245124.4 Ų124.493%0.92562%0.615SS**  trans-75.653.7172.6-157.6-173.8-150.9168.76.5110.5Q33 Q37Q33-R35 PolarHBondContact O-N 2.85Å; R35-Q37 PolarHBondContact O-N 3.49Å; R35-Q37 VanDerWaalsContact O-N 3.13Å
36Q35.9Very low55.1Low156 Ų156116.7 Ų116.773%0.72957%0.574SS**  trans-55.1118.2159.4-84.9179.7-5300106.1Q34 Q38Q34-Q36 PolarHBondContact O-N 3.19Å; Q36-Q38 PolarHBondContact O-N 2.82Å; Q36-Q38 VanDerWaalsContact O-N 3.08Å
37Q41Very low58Low147 Ų147108.7 Ų108.769%0.68753%0.532SS*.  trans-64.2112.1172.3-62.617974.200105.5R35 L39R35-Q37 PolarHBondContact O-N 3.49Å; R35-Q37 VanDerWaalsContact O-N 3.13Å; Q37-L39 PolarHBondContact O-N 3.14Å
38Q50.2Low60.8Low175 Ų175100.3 Ų100.382%0.81849%0.492SS*.  trans-64.2105.2172.1-75.7-175.8-53.200106.5Q36 L40Q36-Q38 PolarHBondContact O-N 2.82Å; Q36-Q38 VanDerWaalsContact O-N 3.08Å; Q38-L40 PolarHBondContact O-N 3Å; Q38-L40 VanDerWaalsContact O-N 3.12Å
39L62.9Low63.5Low131 Ų13196.5 Ų96.569%0.68646%0.461SS*.  trans-55.7119.7177.7-71.6170.7000107.8Q37Q37-L39 PolarHBondContact O-N 3.14Å
40L74.5Confident66.1Low24 Ų2496 Ų9613%0.12645%0.446CS..  trans-58.6142.6179.5-69.1166.3000108.9Q38 I42 I73 H224 S255Q38-L40 PolarHBondContact O-N 3Å; Q38-L40 VanDerWaalsContact O-N 3.12Å; L40-I42 WeakPolarHBondContact CB-O 3.22Å; L40-I42 PolarHBondContact O-N 2.97Å; L40-I73 HydrophobicContact CD1-CG1 3.68Å; L40-H224 HydrophobicContact CD2-CB 4.06Å; L40-S255 PolarHBondContact O-OG 2.92Å
41P81.4Confident68.7Low43 Ų4388.5 Ų88.528%0.27944%0.436SS..SBendtrans-64.9-21-179.127.9-36.1000111.9L223 F254 S255P41-L223 HydrophobicContact CG-CB 3.89Å; P41-L223 HydrophobicContact CG-CD2 4.22Å; P41-L223 HydrophobicContact CG-CG 4.44Å; P41-F254 WeakPolarHBondContact O-CA 3.45Å; P41-S255 PolarHBondContact O-N 2.98Å
42I90.9Very high71.3Confident0 Ų084.4 Ų84.40%041%0.409CS..EExtended strand (participates in β ladder)trans-131.9145.1173.1-157.1175000111.2L40 L223 L231 L233 L252 Q253 F254L40-I42 WeakPolarHBondContact CB-O 3.22Å; L40-I42 PolarHBondContact O-N 2.97Å; I42-L223 HydrophobicContact CB-CD1 3.98Å; I42-L223 HydrophobicContact CG2-CD1 3.44Å; I42-L223 VanDerWaalsContact CG2-CD1 3.44Å; I42-L231 HydrophobicContact CG2-CD2 4.15Å; I42-L233 HydrophobicContact CD1-CD1 4.3Å; I42-L233 HydrophobicContact CD1-CD2 4.36Å; I42-L252 HydrophobicContact CD1-CD2 3.82Å; I42-Q253 CarbonylContact C-O 3.4Å; I42-Q253 VanDerWaalsContact CA-O 3.32Å; I42-Q253 WeakPolarHBondContact CA-O 3.47Å; I42-F254 HydrophobicContact CB-CD1 4.26Å; I42-F254 HydrophobicContact CB-CE1 4.23Å; I42-F254 HydrophobicContact CD1-CD1 4.24Å; I42-F254 HydrophobicContact CD1-CE1 3.47Å; I42-F254 VanDerWaalsContact CD1-CE1 3.47Å; I42-F254 HydrophobicContact CD1-CE2 4.4Å; I42-F254 HydrophobicContact CD1-CZ 3.56Å; I42-F254 HydrophobicContact CG1-CD1 3.97Å; I42-F254 HydrophobicContact CG1-CE1 3.72Å; I42-F254 HydrophobicContact CG1-CZ 4.05Å
43N92.7Very high74.1Confident18 Ų1874.8 Ų74.810%0.09638%0.378CS..EExtended strand (participates in β ladder)trans-126.8148.7162.3-67.7-84.7000108.3R72 I73 H75 Q253N43-R72 PolarHBondContact OD1-O 3.39Å; N43-I73 CarbonylContact C-O 3.52Å; N43-I73 WeakPolarHBondContact CA-O 3.11Å; N43-H75 PolarHBondContact OD1-NE2 3.03Å; N43-Q253 HydrophobicContact CB-CB 4.29Å; N43-Q253 PolarHBondContact N-O 2.82Å; N43-Q253 PolarHBondContact O-N 3.08Å
44L94.7Very high76.8Confident0 Ų071.5 Ų71.50%037%0.365CS..EExtended strand (participates in β ladder)trans-115.6113176.3-170.975.3000109.9L46 I73 F74 H75 L98 I100 A250 L252L44-L46 HydrophobicContact CD2-CD2 3.87Å; L44-L46 HydrophobicContact CG-CD2 4.11Å; L44-I73 HydrophobicContact CB-CG2 4.37Å; L44-I73 PolarHBondContact N-O 3.42Å; L44-F74 HydrophobicContact CB-CD1 4.18Å; L44-F74 HydrophobicContact CB-CE1 4.46Å; L44-F74 HydrophobicContact CD2-CD1 3.93Å; L44-F74 HydrophobicContact CD2-CE1 3.77Å; L44-F74 WeakPolarHBondContact O-CA 3.34Å; L44-H75 PolarHBondContact O-N 3.18Å; L44-L98 HydrophobicContact CD1-CD2 4.06Å; L44-I100 HydrophobicContact CD2-CD1 3.62Å; L44-I100 HydrophobicContact CD2-CG1 4.23Å; L44-A250 HydrophobicContact CD1-CB 4.31Å; L44-L252 HydrophobicContact CD1-CD2 3.52Å; L44-L252 HydrophobicContact CD1-CG 4.14Å
45H94.8Very high79.6Confident8 Ų869 Ų694%0.03736%0.357CS..EExtended strand (participates in β ladder)trans-90.8129174.5-67.8-96.3000109.9H75 A250 V251 Q253 V425H45-H75 CarbonylContact C-O 3.56Å; H45-H75 WeakPolarHBondContact CA-O 3.42Å; H45-A250 CarbonylContact O-C 3.6Å; H45-A250 WeakPolarHBondContact O-CA 3.21Å; H45-V251 HydrophobicContact CB-CB 4.25Å; H45-V251 PolarHBondContact N-O 3.13Å; H45-V251 PolarHBondContact O-N 3.2Å; H45-Q253 PolarHBondContact NE2-OE1 3.18Å; H45-V425 HydrophobicContact CB-CG2 4.2Å
46L95.1Very high82.4Confident0 Ų058.2 Ų58.20%032%0.317CS..EExtended strand (participates in β ladder)trans-106.4124176.6-58.2180000109.5L44 A48 L56 L60 H75 S77 M170 P171 W173 A250L44-L46 HydrophobicContact CD2-CD2 3.87Å; L44-L46 HydrophobicContact CG-CD2 4.11Å; L46-A48 PolarHBondContact O-N 2.87Å; L46-L56 HydrophobicContact CB-CD2 4.12Å; L46-L60 HydrophobicContact CD1-CD1 3.73Å; L46-L60 HydrophobicContact CD1-CD2 4.02Å; L46-H75 PolarHBondContact N-O 2.9Å; L46-S77 PolarHBondContact O-N 2.85Å; L46-M170 HydrophobicContact CB-CE 4.35Å; L46-P171 HydrophobicContact CD2-CG 3.67Å; L46-W173 HydrophobicContact CD1-CH2 4.35Å; L46-W173 HydrophobicContact CD1-CZ2 3.77Å; L46-A250 HydrophobicContact CD2-CB 4.1Å
47L93.9Very high85.1Confident2 Ų253.6 Ų53.61%0.0130%0.296CS..EExtended strand (participates in β ladder)trans-94.892.5-167.8-56-175.9000111.1S77 R79 S249 V251 K287 V425 D426L47-S77 CarbonylContact C-O 3.49Å; L47-S77 WeakPolarHBondContact CA-O 3.27Å; L47-R79 HydrophobicContact CB-CG 3.74Å; L47-R79 PolarHBondContact O-NE 2.87Å; L47-R79 VanDerWaalsContact O-NE 3.07Å; L47-S249 PolarHBondContact N-O 3.29Å; L47-V251 HydrophobicContact CD1-CG2 3.67Å; L47-V251 HydrophobicContact CD2-CG2 3.98Å; L47-V251 HydrophobicContact CG-CG2 3.95Å; L47-K287 HydrophobicContact CD1-CD 4.38Å; L47-V425 HydrophobicContact CD2-CG2 3.72Å; L47-D426 HydrophobicContact CD1-CB 4.46Å; L47-D426 WeakPolarHBondContact CD1-OD1 3.46Å; L47-D426 HydrophobicContact CD2-CB 4.45Å
48A93.3Very high87.6Confident5 Ų551.2 Ų51.24%0.04128%0.284CS..EExtended strand (participates in β ladder)trans-66.1154173.400000111.8L46 D52 L56 V76 S77 R79L46-A48 PolarHBondContact O-N 2.87Å; A48-D52 HydrophobicContact CB-CB 4.3Å; A48-L56 HydrophobicContact CB-CD2 3.96Å; A48-V76 HydrophobicContact CB-CG1 4.18Å; A48-S77 PolarHBondContact N-O 3Å; A48-R79 WeakPolarHBondContact O-CB 3.49Å; A48-R79 WeakPolarHBondContact O-CD 3.47Å; A48-R79 VanDerWaalsContact O-CG 3.22Å; A48-R79 WeakPolarHBondContact O-CG 3.45Å; A48-R79 PolarHBondContact O-N 2.94Å
49N91.4Very high89.6Confident50 Ų5043.4 Ų43.427%0.26725%0.249SC..PPolyproline II helixtrans-67.8157.5162.4-50.8-61.8000109.8G51 D52 P82 F83N49-G51 PolarHBondContact O-N 3.35Å; N49-G51 VanDerWaalsContact O-N 3.16Å; N49-D52 HydrophobicContact CB-CB 4.37Å; N49-D52 WeakPolarHBondContact CB-OD2 3.44Å; N49-D52 PolarHBondContact ND2-OD2 2.97Å; N49-D52 PolarHBondContact O-N 2.93Å; N49-P82 HydrophobicContact CB-CB 4.41Å; N49-F83 PolarHBondContact OD1-N 3.07Å
50P88.5Confident91Very high61 Ų6137.2 Ų37.240%0.39622%0.216SC..THydrogen-bonded Turntrans-49120.5169.4-27.833.5000112.5E78 R79 P82P50-E78 WeakPolarHBondContact CA-OE2 3.33Å; P50-R79 WeakPolarHBondContact CG-O 3.44Å; P50-P82 HydrophobicContact CG-CG 4.31Å
51G88.1Confident91.8Very high61 Ų6139.3 Ų39.363%0.62923%0.227SC*.THydrogen-bonded Turntrans89.1-13.9-178.400000116.2N49 E78N49-G51 PolarHBondContact O-N 3.35Å; N49-G51 VanDerWaalsContact O-N 3.16Å; G51-E78 WeakPolarHBondContact CA-OE1 3.33Å; G51-E78 VanDerWaalsContact N-CD 3.33Å; G51-E78 PolarHBondContact N-OE1 2.8Å; G51-E78 PolarHBondContact N-OE2 2.82Å
52D90Very high92.2Very high75 Ų7541 Ų4140%0.40123%0.231SC..THydrogen-bonded Turntrans-87.2-12.7179.1-74.7-25.7000112.9A48 N49 L54 L55 L56A48-D52 HydrophobicContact CB-CB 4.3Å; N49-D52 HydrophobicContact CB-CB 4.37Å; N49-D52 WeakPolarHBondContact CB-OD2 3.44Å; N49-D52 PolarHBondContact ND2-OD2 2.97Å; N49-D52 PolarHBondContact O-N 2.93Å; D52-L54 PolarHBondContact O-N 3.04Å; D52-L55 PolarHBondContact O-N 3.12Å; D52-L56 PolarHBondContact O-N 2.82Å
53S91.4Very high92.2Very high34 Ų3441 Ų4124%0.23823%0.231CC..Hα-helixtrans-55.6-46.4-171.953.20000114.3L55 L56 Q57 E78S53-L55 VanDerWaalsContact C-N 3.31Å; S53-L55 PolarHBondContact O-N 2.8Å; S53-L56 PolarHBondContact O-N 3.31Å; S53-Q57 WeakPolarHBondContact O-CB 3.5Å; S53-Q57 PolarHBondContact O-N 2.85Å; S53-E78 WeakPolarHBondContact CB-OE1 3.36Å; S53-E78 PolarHBondContact N-OE1 2.95Å; S53-E78 PolarHBondContact OG-OE1 2.8Å
54L92.6Very high92Very high116 Ų11641.1 Ų41.161%0.60723%0.232SC*.Hα-helixtrans-63.2-38.5-177.5-177.663.4000111.7D52 Q58D52-L54 PolarHBondContact O-N 3.04Å; L54-Q58 WeakPolarHBondContact O-CB 3.46Å; L54-Q58 WeakPolarHBondContact O-CG 3.43Å; L54-Q58 PolarHBondContact O-N 3.41Å
55L92.6Very high91.5Very high99 Ų9947.9 Ų47.952%0.51826%0.258SS..Hα-helixtrans-70.2-41.2176.7178.461.1000111.1D52 S53 T59D52-L55 PolarHBondContact O-N 3.12Å; S53-L55 VanDerWaalsContact C-N 3.31Å; S53-L55 PolarHBondContact O-N 2.8Å; L55-T59 WeakPolarHBondContact O-CB 3.41Å; L55-T59 PolarHBondContact O-N 2.9Å; L55-T59 PolarHBondContact O-OG1 2.93Å
56L93.6Very high90.9Very high17 Ų1752.1 Ų52.19%0.08927%0.273CS..Hα-helixtrans-61.9-50.1175.5179.657.1000111L46 A48 D52 S53 Q58 T59 L60 V76 L166 M170L46-L56 HydrophobicContact CB-CD2 4.12Å; A48-L56 HydrophobicContact CB-CD2 3.96Å; D52-L56 PolarHBondContact O-N 2.82Å; S53-L56 PolarHBondContact O-N 3.31Å; L56-Q58 PolarHBondContact O-N 2.74Å; L56-T59 PolarHBondContact O-N 3.34Å; L56-L60 HydrophobicContact CD1-CD1 3.94Å; L56-L60 HydrophobicContact CD1-CG 4.23Å; L56-L60 HydrophobicContact CG-CD1 3.94Å; L56-L60 VanDerWaalsContact O-CG 3.3Å; L56-L60 WeakPolarHBondContact O-CG 3.32Å; L56-L60 PolarHBondContact O-N 3.27Å; L56-V76 HydrophobicContact CB-CG1 4.3Å; L56-V76 HydrophobicContact CB-CG2 4.42Å; L56-V76 HydrophobicContact CD2-CG1 3.92Å; L56-V76 HydrophobicContact CD2-CG2 4.03Å; L56-V76 HydrophobicContact CG-CG1 4.21Å; L56-V76 HydrophobicContact CG-CG2 3.8Å; L56-L166 HydrophobicContact CD1-CD1 3.53Å; L56-M170 HydrophobicContact CD1-CE 3.89Å; L56-M170 HydrophobicContact CD2-CE 3.88Å
57Q93.5Very high90.3Very high60 Ų6052.5 Ų52.528%0.2828%0.275SS..Hα-helixtrans-60-47.1178.4-173.366.453.100111.4S53 T59 L60 D61 V76S53-Q57 WeakPolarHBondContact O-CB 3.5Å; S53-Q57 PolarHBondContact O-N 2.85Å; Q57-T59 VanDerWaalsContact C-N 3.29Å; Q57-T59 PolarHBondContact O-N 3.36Å; Q57-L60 PolarHBondContact O-N 3.32Å; Q57-D61 PolarHBondContact NE2-OD1 3.45Å; Q57-D61 WeakPolarHBondContact O-CB 3.25Å; Q57-D61 PolarHBondContact O-N 2.86Å; Q57-V76 HydrophobicContact CB-CB 4.35Å; Q57-V76 HydrophobicContact CB-CG2 4.11Å; Q57-V76 VanDerWaalsContact OE1-CG2 3.26Å
58Q92.9Very high89.2Confident97 Ų9752.7 Ų52.745%0.45328%0.277SS..Hα-helixtrans-61.3-36.6177.3-74.2175.41700112.9L54 L56 H62L54-Q58 WeakPolarHBondContact O-CB 3.46Å; L54-Q58 WeakPolarHBondContact O-CG 3.43Å; L54-Q58 PolarHBondContact O-N 3.41Å; L56-Q58 PolarHBondContact O-N 2.74Å; Q58-H62 WeakPolarHBondContact O-CB 3.3Å; Q58-H62 PolarHBondContact O-CD2 3.04Å; Q58-H62 VanDerWaalsContact O-CD2 3.3Å; Q58-H62 PolarHBondContact O-N 2.88Å; Q58-H62 VanDerWaalsContact O-N 3.1Å
59T93.2Very high88.1Confident11 Ų1157.7 Ų57.77%0.06731%0.309CS..Hα-helixtrans-67.1-41.6177.2-570000111.2L55 L56 Q57 L63 F119 P124 W125 L166L55-T59 WeakPolarHBondContact O-CB 3.41Å; L55-T59 PolarHBondContact O-N 2.9Å; L55-T59 PolarHBondContact O-OG1 2.93Å; L56-T59 PolarHBondContact O-N 3.34Å; Q57-T59 VanDerWaalsContact C-N 3.29Å; Q57-T59 PolarHBondContact O-N 3.36Å; T59-L63 PolarHBondContact O-N 2.7Å; T59-F119 HydrophobicContact CG2-CE1 4.18Å; T59-F119 HydrophobicContact CG2-CZ 3.86Å; T59-F119 WeakPolarHBondContact O-CZ 3.3Å; T59-P124 HydrophobicContact CG2-CG 3.85Å; T59-W125 HydrophobicContact CG2-CZ2 4.09Å; T59-L166 HydrophobicContact CG2-CD2 3.89Å
60L92.2Very high87.1Confident1 Ų158.4 Ų58.41%0.00532%0.317CS..Hα-helixtrans-70.2-44.3176.2-64.7164.5000111.8L46 L56 Q57 H62 L63 L64 V76 L166 W173L46-L60 HydrophobicContact CD1-CD1 3.73Å; L46-L60 HydrophobicContact CD1-CD2 4.02Å; L56-L60 HydrophobicContact CD1-CD1 3.94Å; L56-L60 HydrophobicContact CD1-CG 4.23Å; L56-L60 HydrophobicContact CG-CD1 3.94Å; L56-L60 VanDerWaalsContact O-CG 3.3Å; L56-L60 WeakPolarHBondContact O-CG 3.32Å; L56-L60 PolarHBondContact O-N 3.27Å; Q57-L60 PolarHBondContact O-N 3.32Å; L60-H62 PolarHBondContact O-N 3.3Å; L60-L63 WeakPolarHBondContact O-CB 3.44Å; L60-L63 PolarHBondContact O-N 2.95Å; L60-L63 VanDerWaalsContact O-N 3.12Å; L60-L64 WeakPolarHBondContact O-CB 3.46Å; L60-L64 VanDerWaalsContact O-CG 3.27Å; L60-L64 WeakPolarHBondContact O-CG 3.35Å; L60-L64 PolarHBondContact O-N 3.09Å; L60-V76 HydrophobicContact CD1-CG2 3.47Å; L60-V76 VanDerWaalsContact CD1-CG2 3.47Å; L60-L166 HydrophobicContact CD2-CD1 4.33Å; L60-W173 HydrophobicContact CD2-CH2 3.52Å; L60-W173 HydrophobicContact CD2-CZ2 3.68Å; L60-W173 HydrophobicContact CD2-CZ3 4.38Å
61D90.6Very high86.5Confident67 Ų6755.8 Ų55.836%0.35830%0.3SS..Hα-helixtrans-57.8-34.8176.2-73.9-12.1000111.8Q57 R65Q57-D61 PolarHBondContact NE2-OD1 3.45Å; Q57-D61 WeakPolarHBondContact O-CB 3.25Å; Q57-D61 PolarHBondContact O-N 2.86Å; D61-R65 WeakPolarHBondContact O-CB 3.38Å; D61-R65 PolarHBondContact O-N 2.84Å; D61-R65 VanDerWaalsContact O-N 3.11Å
62H90Very high86.3Confident78 Ų7861.4 Ų61.436%0.36130%0.302SS..Hα-helixtrans-71.2-44.9176.2-79.7-152.1000111.6Q58 L60 R65 W66 F119Q58-H62 WeakPolarHBondContact O-CB 3.3Å; Q58-H62 PolarHBondContact O-CD2 3.04Å; Q58-H62 VanDerWaalsContact O-CD2 3.3Å; Q58-H62 PolarHBondContact O-N 2.88Å; Q58-H62 VanDerWaalsContact O-N 3.1Å; L60-H62 PolarHBondContact O-N 3.3Å; H62-R65 PolarHBondContact CD2-NH1 3.22Å; H62-R65 PolarHBondContact CD2-NH2 2.85Å; H62-R65 VanDerWaalsContact CD2-NH2 3.34Å; H62-R65 PolarHBondContact NE2-NH1 3.05Å; H62-W66 HydrophobicContact CB-CH2 4.46Å; H62-W66 VanDerWaalsContact O-CD2 3.29Å; H62-W66 VanDerWaalsContact O-CE3 3.24Å; H62-F119 HydrophobicContact CB-CE2 4.38Å; H62-F119 HydrophobicContact CB-CZ 4.09Å
63L90.4Very high86.3Confident0 Ų057.8 Ų57.80%028%0.283CS..Hα-helixtrans-59.1-52.9174.1-175.964.6000111.8T59 L60 R65 W66 L67 F102 V116 F119 F120 W125 W173T59-L63 PolarHBondContact O-N 2.7Å; L60-L63 WeakPolarHBondContact O-CB 3.44Å; L60-L63 PolarHBondContact O-N 2.95Å; L60-L63 VanDerWaalsContact O-N 3.12Å; L63-R65 VanDerWaalsContact C-N 3.33Å; L63-R65 PolarHBondContact O-N 2.95Å; L63-W66 PolarHBondContact O-N 3.11Å; L63-L67 HydrophobicContact CD1-CD1 3.64Å; L63-L67 HydrophobicContact CG-CD1 3.7Å; L63-L67 WeakPolarHBondContact O-CG 3.47Å; L63-L67 PolarHBondContact O-N 3.24Å; L63-F102 HydrophobicContact CD2-CE2 4.35Å; L63-V116 HydrophobicContact CD1-CG1 4.05Å; L63-F119 HydrophobicContact CB-CE1 3.93Å; L63-F119 HydrophobicContact CD1-CD1 4Å; L63-F119 HydrophobicContact CD1-CE1 4.24Å; L63-F120 HydrophobicContact CD1-CE1 3.68Å; L63-F120 HydrophobicContact CD1-CZ 3.92Å; L63-F120 HydrophobicContact CD2-CE1 3.92Å; L63-F120 HydrophobicContact CD2-CZ 4.28Å; L63-F120 HydrophobicContact CG-CE1 4.48Å; L63-W125 HydrophobicContact CD2-CH2 4.01Å; L63-W125 HydrophobicContact CD2-CZ2 3.96Å; L63-W173 HydrophobicContact CD2-CE3 3.75Å; L63-W173 HydrophobicContact CD2-CZ3 3.7Å
64L88.7Confident86.3Confident21 Ų2156.8 Ų56.811%0.1128%0.275CS..Hα-helixtrans-68-30.1-175-64.5171.6000112.9L60 W66 L67 C68 F74 F102L60-L64 WeakPolarHBondContact O-CB 3.46Å; L60-L64 VanDerWaalsContact O-CG 3.27Å; L60-L64 WeakPolarHBondContact O-CG 3.35Å; L60-L64 PolarHBondContact O-N 3.09Å; L64-W66 PolarHBondContact O-N 3.27Å; L64-L67 PolarHBondContact O-N 2.94Å; L64-L67 VanDerWaalsContact O-N 3.08Å; L64-C68 PolarHBondContact O-N 3.41Å; L64-F74 HydrophobicContact CD1-CB 4.26Å; L64-F74 HydrophobicContact CD1-CD2 3.81Å; L64-F74 HydrophobicContact CD1-CG 4.43Å; L64-F74 HydrophobicContact CD2-CD2 3.63Å; L64-F74 HydrophobicContact CD2-CE2 3.73Å; L64-F74 HydrophobicContact CG-CD2 4.33Å; L64-F102 HydrophobicContact CD2-CZ 4.22Å
65R85.6Confident86.3Confident143 Ų14354.4 Ų54.454%0.5426%0.26SS..Hα-helixtrans-60.5-29.6173.7-176.7-176-55.8143.17.4113.2D61 H62 L63D61-R65 WeakPolarHBondContact O-CB 3.38Å; D61-R65 PolarHBondContact O-N 2.84Å; D61-R65 VanDerWaalsContact O-N 3.11Å; H62-R65 PolarHBondContact CD2-NH1 3.22Å; H62-R65 PolarHBondContact CD2-NH2 2.85Å; H62-R65 VanDerWaalsContact CD2-NH2 3.34Å; H62-R65 PolarHBondContact NE2-NH1 3.05Å; L63-R65 VanDerWaalsContact C-N 3.33Å; L63-R65 PolarHBondContact O-N 2.95Å
66W81.7Confident86.4Confident96 Ų9650.9 Ų50.936%0.36424%0.243SC..Hα-helixtrans-88.9-21.4173.5-55.8-46.5000113.2H62 L63 L64 R112 F119H62-W66 HydrophobicContact CB-CH2 4.46Å; H62-W66 VanDerWaalsContact O-CD2 3.29Å; H62-W66 VanDerWaalsContact O-CE3 3.24Å; L63-W66 PolarHBondContact O-N 3.11Å; L64-W66 PolarHBondContact O-N 3.27Å; W66-R112 WeakPolarHBondContact O-CD 3.44Å; W66-R112 PolarHBondContact O-NE 3.25Å; W66-F119 HydrophobicContact CH2-CB 4.43Å; W66-F119 AromaticContact CH2-CD2 3.66Å; W66-F119 HydrophobicContact CH2-CD2 3.66Å; W66-F119 AromaticContact CH2-CE2 3.98Å; W66-F119 HydrophobicContact CH2-CE2 3.98Å; W66-F119 HydrophobicContact CH2-CG 4.07Å; W66-F119 HydrophobicContact CZ3-CB 3.86Å; W66-F119 AromaticContact CZ3-CD1 3.91Å; W66-F119 HydrophobicContact CZ3-CD1 3.91Å; W66-F119 AromaticContact CZ3-CD2 3.63Å; W66-F119 HydrophobicContact CZ3-CD2 3.63Å; W66-F119 HydrophobicContact CZ3-CE1 4.27Å; W66-F119 HydrophobicContact CZ3-CE2 4.04Å; W66-F119 AromaticContact CZ3-CG 3.54Å; W66-F119 HydrophobicContact CZ3-CG 3.54Å; W66-F119 HydrophobicContact CZ3-CZ 4.33Å
67L81.7Confident86.3Confident9 Ų951.4 Ų51.45%0.04725%0.248CC..Hα-helixtrans-101.7-63.9-169.1-66.2177.2000113.3L63 L64 F102 L104 R112 V116L63-L67 HydrophobicContact CD1-CD1 3.64Å; L63-L67 HydrophobicContact CG-CD1 3.7Å; L63-L67 WeakPolarHBondContact O-CG 3.47Å; L63-L67 PolarHBondContact O-N 3.24Å; L64-L67 PolarHBondContact O-N 2.94Å; L64-L67 VanDerWaalsContact O-N 3.08Å; L67-F102 HydrophobicContact CB-CD1 4.21Å; L67-F102 HydrophobicContact CB-CE1 4Å; L67-F102 HydrophobicContact CD1-CD1 3.71Å; L67-F102 HydrophobicContact CD1-CD2 3.64Å; L67-F102 HydrophobicContact CD1-CE1 3.59Å; L67-F102 HydrophobicContact CD1-CE2 3.54Å; L67-F102 HydrophobicContact CD1-CG 3.72Å; L67-F102 HydrophobicContact CD1-CZ 3.51Å; L67-F102 HydrophobicContact CD2-CD1 4.43Å; L67-F102 HydrophobicContact CD2-CG 4.48Å; L67-F102 HydrophobicContact CG-CD1 4.36Å; L67-F102 HydrophobicContact CG-CE1 4.37Å; L67-L104 HydrophobicContact CD2-CD1 3.54Å; L67-L104 HydrophobicContact CD2-CD2 4Å; L67-L104 HydrophobicContact CD2-CG 4.36Å; L67-R112 PolarHBondContact O-NH2 2.94Å; L67-V116 HydrophobicContact CD1-CG2 4.49Å; L67-V116 HydrophobicContact CD2-CG2 3.65Å; L67-V116 HydrophobicContact CG-CG2 4.15Å
68C72.2Confident86.1Confident5 Ų551.5 Ų51.53%0.03425%0.248CC..  trans-154.169.8-168.152.10000112.9L64 S70 L71 L229L64-C68 PolarHBondContact O-N 3.41Å; C68-S70 PolarHBondContact O-N 2.86Å; C68-L71 HydrophobicContact CB-CB 4.36Å; C68-L71 HydrophobicContact CB-CD1 4.29Å; C68-L71 HydrophobicContact CB-CG 4.29Å; C68-L71 PolarHBondContact O-N 2.71Å; C68-L229 HydrophobicContact CB-CD2 3.55Å
69P68.9Low85.9Confident110 Ų11047.9 Ų47.971%0.71423%0.23SC*.THydrogen-bonded Turntrans-66.3-6.7-17627.7-36.2000115.3
70S70.9Confident85.4Confident65 Ų6550.8 Ų50.846%0.45526%0.256SS..THydrogen-bonded Turntrans-79.8-32.2169.454.90000113.3C68 R72 E226C68-S70 PolarHBondContact O-N 2.86Å; S70-R72 PolarHBondContact O-N 3.15Å; S70-E226 VanDerWaalsContact CB-OE2 3.3Å; S70-E226 WeakPolarHBondContact CB-OE2 3.38Å; S70-E226 PolarHBondContact OG-OE2 3.32Å
71L75.3Confident85Confident7 Ų754.4 Ų54.44%0.03728%0.281CS..  trans-90.8102.3-168.6-61.3-172000112.5C68 I73 L185 L229C68-L71 HydrophobicContact CB-CB 4.36Å; C68-L71 HydrophobicContact CB-CD1 4.29Å; C68-L71 HydrophobicContact CB-CG 4.29Å; C68-L71 PolarHBondContact O-N 2.71Å; L71-I73 VanDerWaalsContact C-N 3.3Å; L71-I73 HydrophobicContact CB-CD1 3.82Å; L71-I73 HydrophobicContact CB-CG1 4.27Å; L71-I73 HydrophobicContact CD1-CD1 3.95Å; L71-I73 HydrophobicContact CG-CD1 4.43Å; L71-I73 PolarHBondContact O-N 2.88Å; L71-L185 HydrophobicContact CD1-CD2 4.29Å; L71-L229 HydrophobicContact CD1-CD2 3.54Å; L71-L229 HydrophobicContact CD1-CG 4.02Å; L71-L229 HydrophobicContact CG-CD2 3.92Å
72R83.4Confident84.5Confident178 Ų17854 Ų5467%0.67228%0.282SS*.  trans-88.957.5175.9-64.5-177.5172-162.1-7.3112.5N43 S70 H75N43-R72 PolarHBondContact OD1-O 3.39Å; S70-R72 PolarHBondContact O-N 3.15Å; R72-H75 PolarHBondContact O-NE2 3.41Å
73I90.1Very high84Confident0 Ų053.2 Ų53.20%028%0.278CS..  trans-85.5-37.9-179.5-59.3151.1000111.4L40 N43 L44 L71 H75 L185 I187 L231L40-I73 HydrophobicContact CD1-CG1 3.68Å; N43-I73 CarbonylContact C-O 3.52Å; N43-I73 WeakPolarHBondContact CA-O 3.11Å; L44-I73 HydrophobicContact CB-CG2 4.37Å; L44-I73 PolarHBondContact N-O 3.42Å; L71-I73 VanDerWaalsContact C-N 3.3Å; L71-I73 HydrophobicContact CB-CD1 3.82Å; L71-I73 HydrophobicContact CB-CG1 4.27Å; L71-I73 HydrophobicContact CD1-CD1 3.95Å; L71-I73 HydrophobicContact CG-CD1 4.43Å; L71-I73 PolarHBondContact O-N 2.88Å; I73-H75 PolarHBondContact O-CD2 3.45Å; I73-H75 VanDerWaalsContact O-CD2 3.25Å; I73-L185 HydrophobicContact CD1-CD2 3.42Å; I73-L185 VanDerWaalsContact CD1-CD2 3.42Å; I73-L185 HydrophobicContact CD1-CG 4.43Å; I73-I187 HydrophobicContact CG2-CD1 4.24Å; I73-L231 HydrophobicContact CD1-CD1 3.52Å; I73-L231 HydrophobicContact CD1-CD2 3.75Å; I73-L231 HydrophobicContact CD1-CG 4.17Å; I73-L231 HydrophobicContact CG1-CD2 4.03Å
74F92.7Very high83.2Confident13 Ų1361.7 Ų61.76%0.05731%0.31CS..EExtended strand (participates in β ladder)trans-91.7127.7-171.8-56-76.9000111.1L44 L64 I100 F102 W173 L185L44-F74 HydrophobicContact CB-CD1 4.18Å; L44-F74 HydrophobicContact CB-CE1 4.46Å; L44-F74 HydrophobicContact CD2-CD1 3.93Å; L44-F74 HydrophobicContact CD2-CE1 3.77Å; L44-F74 WeakPolarHBondContact O-CA 3.34Å; L64-F74 HydrophobicContact CD1-CB 4.26Å; L64-F74 HydrophobicContact CD1-CD2 3.81Å; L64-F74 HydrophobicContact CD1-CG 4.43Å; L64-F74 HydrophobicContact CD2-CD2 3.63Å; L64-F74 HydrophobicContact CD2-CE2 3.73Å; L64-F74 HydrophobicContact CG-CD2 4.33Å; F74-I100 HydrophobicContact CE1-CD1 3.93Å; F74-I100 HydrophobicContact CE1-CG1 4.36Å; F74-I100 HydrophobicContact CE1-CG2 4.05Å; F74-I100 HydrophobicContact CZ-CG2 3.74Å; F74-F102 HydrophobicContact CE2-CZ 4.44Å; F74-W173 AromaticContact CD1-CH2 3.96Å; F74-W173 HydrophobicContact CD1-CH2 3.96Å; F74-W173 AromaticContact CE1-CH2 3.76Å; F74-W173 HydrophobicContact CE1-CH2 3.76Å; F74-W173 HydrophobicContact CE1-CZ3 4.24Å; F74-W173 HydrophobicContact CG-CH2 4.49Å; F74-W173 HydrophobicContact CZ-CH2 4.13Å; F74-W173 HydrophobicContact CZ-CZ3 4.17Å; F74-L185 HydrophobicContact CE2-CD2 3.76Å; F74-L185 HydrophobicContact CZ-CD1 4.14Å; F74-L185 HydrophobicContact CZ-CD2 3.99Å
75H92.8Very high82.1Confident65 Ų6563.3 Ų63.330%0.30133%0.326SS..EExtended strand (participates in β ladder)trans-125.5147.8175.3-55.6-90.6000108.9N43 L44 H45 L46 R72 I73N43-H75 PolarHBondContact OD1-NE2 3.03Å; L44-H75 PolarHBondContact O-N 3.18Å; H45-H75 CarbonylContact C-O 3.56Å; H45-H75 WeakPolarHBondContact CA-O 3.42Å; L46-H75 PolarHBondContact N-O 2.9Å; R72-H75 PolarHBondContact O-NE2 3.41Å; I73-H75 PolarHBondContact O-CD2 3.45Å; I73-H75 VanDerWaalsContact O-CD2 3.25Å
76V93.8Very high80.7Confident26 Ų2663.7 Ų63.716%0.15833%0.334CS..EExtended strand (participates in β ladder)trans-107.5138.3173175.50000109.5A48 L56 Q57 L60A48-V76 HydrophobicContact CB-CG1 4.18Å; L56-V76 HydrophobicContact CB-CG1 4.3Å; L56-V76 HydrophobicContact CB-CG2 4.42Å; L56-V76 HydrophobicContact CD2-CG1 3.92Å; L56-V76 HydrophobicContact CD2-CG2 4.03Å; L56-V76 HydrophobicContact CG-CG1 4.21Å; L56-V76 HydrophobicContact CG-CG2 3.8Å; Q57-V76 HydrophobicContact CB-CB 4.35Å; Q57-V76 HydrophobicContact CB-CG2 4.11Å; Q57-V76 VanDerWaalsContact OE1-CG2 3.26Å; L60-V76 HydrophobicContact CD1-CG2 3.47Å; L60-V76 VanDerWaalsContact CD1-CG2 3.47Å
77S91.3Very high79.1Confident27 Ų2765.6 Ų65.619%0.18936%0.356CS..EExtended strand (participates in β ladder)trans-138.4150.7173.6-76.50000110.2L46 L47 A48 V425L46-S77 PolarHBondContact O-N 2.85Å; L47-S77 CarbonylContact C-O 3.49Å; L47-S77 WeakPolarHBondContact CA-O 3.27Å; A48-S77 PolarHBondContact N-O 3Å; S77-V425 VanDerWaalsContact CB-CG2 3.4Å; S77-V425 WeakPolarHBondContact OG-CG2 3.31Å
78E90.4Very high77.6Confident63 Ų6371.9 Ų71.929%0.29438%0.379SS..EExtended strand (participates in β ladder)trans-87.6139.4173.2-65.7-158.5160.400111.9P50 G51 S53 N424P50-E78 WeakPolarHBondContact CA-OE2 3.33Å; G51-E78 WeakPolarHBondContact CA-OE1 3.33Å; G51-E78 VanDerWaalsContact N-CD 3.33Å; G51-E78 PolarHBondContact N-OE1 2.8Å; G51-E78 PolarHBondContact N-OE2 2.82Å; S53-E78 WeakPolarHBondContact CB-OE1 3.36Å; S53-E78 PolarHBondContact N-OE1 2.95Å; S53-E78 PolarHBondContact OG-OE1 2.8Å; E78-N424 PolarHBondContact O-ND2 2.89Å
79R88.3Confident76.3Confident20 Ų2079.9 Ų79.98%0.07542%0.421CS..  trans-70.6150.6166.9-62.5166.4169.6-78.821.3110.4L47 A48 P50 S81 S248 S249 D426L47-R79 HydrophobicContact CB-CG 3.74Å; L47-R79 PolarHBondContact O-NE 2.87Å; L47-R79 VanDerWaalsContact O-NE 3.07Å; A48-R79 WeakPolarHBondContact O-CB 3.49Å; A48-R79 WeakPolarHBondContact O-CD 3.47Å; A48-R79 VanDerWaalsContact O-CG 3.22Å; A48-R79 WeakPolarHBondContact O-CG 3.45Å; A48-R79 PolarHBondContact O-N 2.94Å; P50-R79 WeakPolarHBondContact CG-O 3.44Å; R79-S81 WeakPolarHBondContact CB-O 3.37Å; R79-S81 PolarHBondContact O-N 2.87Å; R79-S248 PolarHBondContact NH1-O 2.79Å; R79-S248 PolarHBondContact NH2-O 2.9Å; R79-S249 PolarHBondContact NH2-OG 3.01Å; R79-D426 VanDerWaalsContact CA-OD2 3.29Å; R79-D426 WeakPolarHBondContact CA-OD2 3.48Å; R79-D426 VanDerWaalsContact CB-OD2 3.29Å; R79-D426 WeakPolarHBondContact CB-OD2 3.39Å; R79-D426 IonicContact NH1-OD1 2.7Å
80A83.5Confident75.3Confident73 Ų7383 Ų8360%0.60342%0.418SS*.SBendtrans-73.2-12.417000000113.7D426 T427A80-D426 PolarHBondContact N-OD2 3.26Å; A80-T427 HydrophobicContact CB-CG2 3.32Å
81S81.8Confident74.1Confident77 Ų7786.7 Ų86.754%0.53844%0.44SS..SBendtrans-142.6145.7172.567.10000111.8R79 F83R79-S81 WeakPolarHBondContact CB-O 3.37Å; R79-S81 PolarHBondContact O-N 2.87Å; S81-F83 PolarHBondContact O-N 3.27Å
82P81.8Confident72.9Confident59 Ų5990.7 Ų90.738%0.38347%0.465SS..  trans-60.7134.6177.4-21.732.1000111.5N49 P50 R84N49-P82 HydrophobicContact CB-CB 4.41Å; P50-P82 HydrophobicContact CG-CG 4.31Å; P82-R84 PolarHBondContact O-N 3.06Å
83F79.4Confident71.9Confident60 Ų6086.8 Ų86.826%0.26347%0.47SS..  trans-61.6112.3179.8178.3-115.3000110.7N49 S81 A85 P168 S248N49-F83 PolarHBondContact OD1-N 3.07Å; S81-F83 PolarHBondContact O-N 3.27Å; F83-A85 HydrophobicContact CD1-CB 4.33Å; F83-A85 HydrophobicContact CE1-CB 3.8Å; F83-A85 HydrophobicContact CZ-CB 4.48Å; F83-A85 PolarHBondContact O-N 2.8Å; F83-P168 HydrophobicContact CD1-CG 4.41Å; F83-P168 WeakPolarHBondContact CD1-O 3.4Å; F83-P168 HydrophobicContact CE1-CB 4.14Å; F83-P168 HydrophobicContact CE1-CG 4.4Å; F83-P168 WeakPolarHBondContact CE1-O 3.44Å; F83-S248 WeakPolarHBondContact CE2-OG 3.49Å; F83-S248 VanDerWaalsContact CZ-OG 3.29Å; F83-S248 WeakPolarHBondContact CZ-OG 3.3Å
84R73.4Confident71.3Confident179 Ų17988.4 Ų88.468%0.67548%0.479SS*.  trans-83.999.7167.7-59.7-53.3-170.2-158.50107.9P82 H86P82-R84 PolarHBondContact O-N 3.06Å; R84-H86 VanDerWaalsContact C-N 3.25Å; R84-H86 PolarHBondContact O-N 2.83Å; R84-H86 PolarHBondContact O-ND1 3.36Å
85A64.6Low71.2Confident54 Ų5490 Ų9045%0.44649%0.485SS..  trans-59.593.4161.100000108.2F83 T87 P168F83-A85 HydrophobicContact CD1-CB 4.33Å; F83-A85 HydrophobicContact CE1-CB 3.8Å; F83-A85 HydrophobicContact CZ-CB 4.48Å; F83-A85 PolarHBondContact O-N 2.8Å; A85-T87 PolarHBondContact O-N 3.32Å; A85-P168 HydrophobicContact CB-CB 3.88Å; A85-P168 HydrophobicContact CB-CG 4.03Å
86H55.8Low71.2Confident152 Ų15287.6 Ų87.670%0.70448%0.475SS*.  trans-68121.3179.3-74.968.1000107.7R84 R88R84-H86 VanDerWaalsContact C-N 3.25Å; R84-H86 PolarHBondContact O-N 2.83Å; R84-H86 PolarHBondContact O-ND1 3.36Å; H86-R88 PolarHBondContact O-N 3.48Å
87T48.1Very low71.2Confident135 Ų13586.4 Ų86.483%0.82847%0.468SS*.  trans-66.678.9178.5-41.20000110.3A85 L89A85-T87 PolarHBondContact O-N 3.32Å; T87-L89 PolarHBondContact O-N 3.09Å
88R51.9Low71.4Confident142 Ų14285.3 Ų85.354%0.53646%0.46SS..  trans-60.4118.9-178.2-71.2-177178.8-173.22.3108.6H86 R90 D94H86-R88 PolarHBondContact O-N 3.48Å; R88-R90 HydrophobicContact CB-CB 4.5Å; R88-R90 PolarHBondContact O-N 3.18Å; R88-D94 IonicContact NH1-OD2 3.73Å
89L44.8Very low71.7Confident173 Ų17382.3 Ų82.391%0.90645%0.446SS*.  trans-74.740.2172.7-61.1173.2000111.8T87T87-L89 PolarHBondContact O-N 3.09Å
90R47.4Very low72Confident176 Ų17681.4 Ų81.466%0.66444%0.443SS*.  trans-100.2119.4177.9-72.9-165.8173.6-164.1-0.6109.1R88 V92R88-R90 HydrophobicContact CB-CB 4.5Å; R88-R90 PolarHBondContact O-N 3.18Å; R90-V92 PolarHBondContact O-N 3.09Å
91P45.4Very low72.6Confident141 Ų14178.1 Ų78.192%0.91642%0.416SS*.SBendtrans-74-2.6-179.4-20.333.9000115.5
92V50.9Low73.1Confident92 Ų9274.7 Ų74.756%0.55839%0.391SS*.SBendtrans-95.1126.7178-178.10000108R90 D94R90-V92 PolarHBondContact O-N 3.09Å; V92-D94 PolarHBondContact O-N 3.37Å; V92-D94 VanDerWaalsContact O-N 3.16Å
93A60.9Low73.7Confident95 Ų9573.3 Ų73.379%0.78538%0.379SS*.  trans-74.3100.4167.900000108.5
94D79.3Confident74.3Confident35 Ų3570.7 Ų70.719%0.18737%0.367CS..PPolyproline II helixtrans-63.4144.8168.7-64.9-36.8000109R88 V92 E245R88-D94 IonicContact NH1-OD2 3.73Å; V92-D94 PolarHBondContact O-N 3.37Å; V92-D94 VanDerWaalsContact O-N 3.16Å; D94-E245 HydrophobicContact CB-CB 3.87Å
95Y89Confident75Confident46 Ų4663.4 Ų63.418%0.1834%0.341CS..EExtended strand (participates in β ladder)trans-93.5139.3-174.9-169.3-85.1000110.9S97 H129 Y190 L238 G243 V244 E245Y95-S97 PolarHBondContact O-N 3.03Å; Y95-H129 AromaticContact CE2-NE2 3.64Å; Y95-H129 AromaticContact CZ-NE2 3.56Å; Y95-H129 PolarHBondContact OH-NE2 3.32Å; Y95-Y190 AromaticContact CD1-CD1 3.94Å; Y95-Y190 HydrophobicContact CD1-CD1 3.94Å; Y95-Y190 HydrophobicContact CD1-CD2 4.47Å; Y95-Y190 HydrophobicContact CD1-CE1 4.42Å; Y95-Y190 AromaticContact CD1-CG 3.93Å; Y95-Y190 HydrophobicContact CD1-CG 3.93Å; Y95-Y190 AromaticContact CE1-CD1 3.36Å; Y95-Y190 HydrophobicContact CE1-CD1 3.36Å; Y95-Y190 AromaticContact CE1-CD2 3.9Å; Y95-Y190 HydrophobicContact CE1-CD2 3.9Å; Y95-Y190 AromaticContact CE1-CE1 3.41Å; Y95-Y190 HydrophobicContact CE1-CE1 3.41Å; Y95-Y190 VanDerWaalsContact CE1-CE1 3.41Å; Y95-Y190 HydrophobicContact CE1-CE2 4.01Å; Y95-Y190 AromaticContact CE1-CG 3.57Å; Y95-Y190 HydrophobicContact CE1-CG 3.57Å; Y95-Y190 AromaticContact CE1-CZ 3.75Å; Y95-Y190 AromaticContact CZ-CE1 3.9Å; Y95-L238 HydrophobicContact CD1-CD1 4.08Å; Y95-L238 HydrophobicContact CD1-CD2 3.72Å; Y95-L238 HydrophobicContact CE1-CD2 4.13Å; Y95-L238 HydrophobicContact CG-CD1 4.17Å; Y95-L238 HydrophobicContact CG-CD2 4.02Å; Y95-G243 PolarHBondContact N-O 3.15Å; Y95-V244 CarbonylContact O-C 3.56Å; Y95-V244 WeakPolarHBondContact O-CA 3.2Å; Y95-E245 PolarHBondContact O-N 2.82Å
96P92.7Very high76.2Confident14 Ų1461.7 Ų61.79%0.09132%0.324CS..EExtended strand (participates in β ladder)trans-60.7121.3-176.923.8-34.8000112.1L98 V172 Y190P96-L98 VanDerWaalsContact C-N 3.26Å; P96-L98 PolarHBondContact O-N 2.83Å; P96-V172 HydrophobicContact CB-CG1 4.04Å; P96-V172 HydrophobicContact CB-CG2 4.39Å; P96-V172 HydrophobicContact CG-CG1 4.11Å; P96-V172 HydrophobicContact CG-CG2 4.2Å; P96-Y190 VanDerWaalsContact O-CD2 3.3Å; P96-Y190 WeakPolarHBondContact O-CD2 3.35Å
97S93.6Very high77.6Confident2 Ų258.4 Ų58.41%0.01432%0.323CS..SBendtrans-56-32174.945.90000114.8Y95 L189 Y190 E245 A246 C247 N286Y95-S97 PolarHBondContact O-N 3.03Å; S97-L189 CarbonylContact O-C 3.47Å; S97-L189 VanDerWaalsContact O-CA 3.29Å; S97-L189 WeakPolarHBondContact O-CA 3.2Å; S97-Y190 PolarHBondContact O-N 3.31Å; S97-E245 WeakPolarHBondContact CB-O 3.35Å; S97-E245 PolarHBondContact N-O 2.6Å; S97-E245 PolarHBondContact OG-O 3.42Å; S97-A246 WeakPolarHBondContact OG-CA 3.45Å; S97-C247 WeakPolarHBondContact OG-CB 3.49Å; S97-C247 PolarHBondContact OG-N 2.87Å; S97-N286 WeakPolarHBondContact CB-OD1 3.38Å; S97-N286 PolarHBondContact OG-OD1 2.67Å
98L95.8Very high79.3Confident4 Ų458.7 Ų58.72%0.02131%0.31CS..EExtended strand (participates in β ladder)trans-132.1120.8-169.4-176.860.8000111.9L44 P96 P171 V172 I187 L189 C247 A250L44-L98 HydrophobicContact CD1-CD2 4.06Å; P96-L98 VanDerWaalsContact C-N 3.26Å; P96-L98 PolarHBondContact O-N 2.83Å; L98-P171 HydrophobicContact CB-CB 4.25Å; L98-P171 HydrophobicContact CD2-CB 3.91Å; L98-P171 HydrophobicContact CG-CB 3.85Å; L98-V172 PolarHBondContact O-N 3.2Å; L98-V172 VanDerWaalsContact O-N 3.09Å; L98-I187 HydrophobicContact CD1-CG2 3.54Å; L98-L189 HydrophobicContact CD1-CD2 3.83Å; L98-L189 HydrophobicContact CD1-CG 4.4Å; L98-C247 HydrophobicContact CB-CB 3.69Å; L98-C247 HydrophobicContact CD2-CB 4.13Å; L98-A250 HydrophobicContact CD2-CB 3.51Å
99A96.4Very high80.6Confident0 Ų053.4 Ų53.40%030%0.3CS..EExtended strand (participates in β ladder)trans-121.2152.916900000112.5F163 V172 T188 Y190A99-F163 HydrophobicContact CB-CD1 4.49Å; A99-F163 HydrophobicContact CB-CE1 3.81Å; A99-F163 HydrophobicContact CB-CZ 4.12Å; A99-V172 CarbonylContact C-O 3.54Å; A99-V172 WeakPolarHBondContact CA-O 3.31Å; A99-V172 HydrophobicContact CB-CG2 3.48Å; A99-V172 VanDerWaalsContact CB-CG2 3.48Å; A99-T188 PolarHBondContact N-O 3.44Å; A99-T188 PolarHBondContact O-N 2.93Å; A99-Y190 HydrophobicContact CB-CE2 3.68Å
100I96Very high82.5Confident0 Ų049 Ų490%027%0.274CS..EExtended strand (participates in β ladder)trans-123.9112.4177.5-61.1155.4000106.9L44 F74 F102 P171 V172 W173 G174 L185L44-I100 HydrophobicContact CD2-CD1 3.62Å; L44-I100 HydrophobicContact CD2-CG1 4.23Å; F74-I100 HydrophobicContact CE1-CD1 3.93Å; F74-I100 HydrophobicContact CE1-CG1 4.36Å; F74-I100 HydrophobicContact CE1-CG2 4.05Å; F74-I100 HydrophobicContact CZ-CG2 3.74Å; I100-F102 HydrophobicContact CG2-CE2 4.15Å; I100-P171 HydrophobicContact CD1-CB 3.9Å; I100-P171 HydrophobicContact CD1-CG 3.75Å; I100-V172 PolarHBondContact N-O 2.84Å; I100-W173 HydrophobicContact CB-CD2 4.05Å; I100-W173 HydrophobicContact CB-CE3 3.9Å; I100-W173 HydrophobicContact CB-CZ3 4.21Å; I100-W173 HydrophobicContact CD1-CD2 3.99Å; I100-W173 HydrophobicContact CD1-CE3 4.25Å; I100-W173 HydrophobicContact CD1-CH2 3.69Å; I100-W173 HydrophobicContact CD1-CZ2 3.38Å; I100-W173 HydrophobicContact CD1-CZ3 4.12Å; I100-W173 HydrophobicContact CG2-CD2 4.3Å; I100-W173 HydrophobicContact CG2-CE3 3.65Å; I100-W173 HydrophobicContact CG2-CH2 4.24Å; I100-W173 HydrophobicContact CG2-CZ3 3.61Å; I100-W173 VanDerWaalsContact O-CA 3.32Å; I100-W173 WeakPolarHBondContact O-CA 3.35Å; I100-G174 PolarHBondContact O-N 3.48Å; I100-L185 HydrophobicContact CG2-CD1 3.81Å
101T95.3Very high84.4Confident5 Ų546.7 Ų46.73%0.03127%0.272CS..EExtended strand (participates in β ladder)trans-121.6124.1-171.2-50.70000110.8F103 G174 R176 R186T101-F103 HydrophobicContact CG2-CD2 4.05Å; T101-F103 HydrophobicContact CG2-CE1 4.5Å; T101-F103 HydrophobicContact CG2-CE2 3.46Å; T101-F103 VanDerWaalsContact CG2-CE2 3.46Å; T101-F103 HydrophobicContact CG2-CZ 3.72Å; T101-G174 WeakPolarHBondContact CA-O 3.24Å; T101-R176 HydrophobicContact CG2-CG 3.52Å; T101-R186 PolarHBondContact N-O 3.16Å; T101-R186 PolarHBondContact O-N 3.1Å
102F93.6Very high86.4Confident4 Ų442.6 Ų42.62%0.01824%0.238CC..EExtended strand (participates in β ladder)trans-96.4113.6173.3-65.3-87.8000110.2L63 L64 L67 F74 I100 L104 W173 G174 V175 R176 L185L63-F102 HydrophobicContact CD2-CE2 4.35Å; L64-F102 HydrophobicContact CD2-CZ 4.22Å; L67-F102 HydrophobicContact CB-CD1 4.21Å; L67-F102 HydrophobicContact CB-CE1 4Å; L67-F102 HydrophobicContact CD1-CD1 3.71Å; L67-F102 HydrophobicContact CD1-CD2 3.64Å; L67-F102 HydrophobicContact CD1-CE1 3.59Å; L67-F102 HydrophobicContact CD1-CE2 3.54Å; L67-F102 HydrophobicContact CD1-CG 3.72Å; L67-F102 HydrophobicContact CD1-CZ 3.51Å; L67-F102 HydrophobicContact CD2-CD1 4.43Å; L67-F102 HydrophobicContact CD2-CG 4.48Å; L67-F102 HydrophobicContact CG-CD1 4.36Å; L67-F102 HydrophobicContact CG-CE1 4.37Å; F74-F102 HydrophobicContact CE2-CZ 4.44Å; I100-F102 HydrophobicContact CG2-CE2 4.15Å; F102-L104 HydrophobicContact CB-CD2 4.12Å; F102-L104 HydrophobicContact CB-CG 4.21Å; F102-W173 AromaticContact CE2-CE3 3.93Å; F102-W173 HydrophobicContact CE2-CE3 3.93Å; F102-W173 AromaticContact CE2-CZ3 3.94Å; F102-W173 HydrophobicContact CE2-CZ3 3.94Å; F102-W173 HydrophobicContact CZ-CZ3 4.29Å; F102-G174 PolarHBondContact N-O 2.89Å; F102-V175 HydrophobicContact CB-CG2 4.38Å; F102-V175 CarbonylContact O-C 3.52Å; F102-V175 WeakPolarHBondContact O-CA 3.38Å; F102-R176 PolarHBondContact O-N 3.02Å; F102-L185 HydrophobicContact CD1-CB 4.36Å; F102-L185 HydrophobicContact CD1-CD1 4Å; F102-L185 HydrophobicContact CE1-CB 4.37Å; F102-L185 HydrophobicContact CE1-CD1 3.68Å; F102-L185 HydrophobicContact CE1-CD2 4.08Å; F102-L185 HydrophobicContact CE1-CG 4.25Å; F102-L185 HydrophobicContact CE2-CD1 4.44Å; F102-L185 HydrophobicContact CZ-CD1 3.92Å
103F92.9Very high88.2Confident31 Ų3138.3 Ų38.314%0.13621%0.212CC..EExtended strand (participates in β ladder)trans-91.1108.4170.5-64.6-95.5000108T101 R176 V178 E183 I184 R186T101-F103 HydrophobicContact CG2-CD2 4.05Å; T101-F103 HydrophobicContact CG2-CE1 4.5Å; T101-F103 HydrophobicContact CG2-CE2 3.46Å; T101-F103 VanDerWaalsContact CG2-CE2 3.46Å; T101-F103 HydrophobicContact CG2-CZ 3.72Å; F103-R176 CarbonylContact C-O 3.57Å; F103-R176 WeakPolarHBondContact CA-O 3.47Å; F103-R176 HydrophobicContact CD1-CB 3.69Å; F103-R176 HydrophobicContact CD1-CG 4.11Å; F103-R176 HydrophobicContact CE1-CB 3.83Å; F103-R176 HydrophobicContact CE1-CG 3.76Å; F103-R176 HydrophobicContact CG-CB 4.36Å; F103-R176 HydrophobicContact CZ-CG 4.11Å; F103-V178 HydrophobicContact CB-CG1 3.97Å; F103-V178 HydrophobicContact CD1-CG1 3.86Å; F103-V178 HydrophobicContact CG-CG1 4.42Å; F103-E183 CarbonylContact O-C 3.58Å; F103-E183 VanDerWaalsContact O-CA 3.28Å; F103-E183 WeakPolarHBondContact O-CA 3.29Å; F103-E183 WeakPolarHBondContact O-CB 3.29Å; F103-I184 HydrophobicContact CB-CB 4Å; F103-I184 HydrophobicContact CB-CG1 4.43Å; F103-I184 HydrophobicContact CD2-CB 4.16Å; F103-I184 HydrophobicContact CG-CB 4.4Å; F103-I184 PolarHBondContact N-O 2.98Å; F103-I184 PolarHBondContact O-N 3.21Å; F103-R186 HydrophobicContact CD2-CB 4.21Å; F103-R186 HydrophobicContact CE2-CB 3.84Å
104L91.5Very high89.5Confident4 Ų437 Ų372%0.02119%0.191CC..EExtended strand (participates in β ladder)trans-112.8131.7-171.7-58.1-176.6000110.8L67 F102 I113 V175 R176 P177 V178 E183L67-L104 HydrophobicContact CD2-CD1 3.54Å; L67-L104 HydrophobicContact CD2-CD2 4Å; L67-L104 HydrophobicContact CD2-CG 4.36Å; F102-L104 HydrophobicContact CB-CD2 4.12Å; F102-L104 HydrophobicContact CB-CG 4.21Å; L104-I113 HydrophobicContact CB-CD1 4.15Å; L104-I113 HydrophobicContact CB-CG1 3.99Å; L104-I113 HydrophobicContact CD1-CG1 4.25Å; L104-V175 HydrophobicContact CD1-CG2 3.52Å; L104-V175 HydrophobicContact CG-CG2 3.93Å; L104-R176 PolarHBondContact N-O 2.76Å; L104-P177 CarbonylContact O-C 3.56Å; L104-P177 WeakPolarHBondContact O-CA 3.22Å; L104-V178 PolarHBondContact O-N 3.39Å; L104-E183 WeakPolarHBondContact CA-OE1 3.48Å
105H89.6Confident90Very high27 Ų2740.3 Ų40.313%0.12520%0.204CC..EExtended strand (participates in β ladder)trans-87120.6-170.5-168.5-78.4000110.6A107 Y108 V178 H179 C180 G181 E183H105-A107 WeakPolarHBondContact ND1-CB 3.34Å; H105-A107 PolarHBondContact ND1-N 3.05Å; H105-A107 PolarHBondContact O-N 2.74Å; H105-A107 VanDerWaalsContact O-N 3.1Å; H105-Y108 HydrophobicContact CB-CD2 3.71Å; H105-Y108 HydrophobicContact CB-CE2 3.86Å; H105-Y108 PolarHBondContact O-N 2.91Å; H105-V178 WeakPolarHBondContact CA-O 3.45Å; H105-V178 HydrophobicContact CB-CG2 3.98Å; H105-H179 PolarHBondContact NE2-O 2.94Å; H105-C180 WeakPolarHBondContact NE2-CA 3.49Å; H105-C180 PolarHBondContact NE2-N 3.33Å; H105-G181 PolarHBondContact CD2-O 2.67Å; H105-G181 VanDerWaalsContact CD2-O 3.32Å; H105-E183 HydrophobicContact CB-CG 4.03Å; H105-E183 PolarHBondContact N-OE1 3.26Å
106E88.7Confident90.1Very high18 Ų1838.1 Ų38.18%0.08420%0.195CC..G310 helixtrans-56.1-35.5-170.7-69.8-178.6160.300113.4Y108 G109 E110 I113 R154 Y156 P177 V178 H179E106-Y108 PolarHBondContact O-N 3.46Å; E106-Y108 VanDerWaalsContact O-N 3.12Å; E106-G109 PolarHBondContact O-N 2.95Å; E106-E110 HydrophobicContact CB-CG 4.45Å; E106-I113 HydrophobicContact CG-CD1 4.2Å; E106-R154 IonicContact OE1-CZ 2.61Å; E106-R154 IonicContact OE1-NE 3.38Å; E106-R154 PolarHBondContact OE1-NE 2.77Å; E106-R154 IonicContact OE1-NH2 3.29Å; E106-R154 IonicContact OE2-CZ 2.74Å; E106-R154 IonicContact OE2-NE 3.7Å; E106-R154 IonicContact OE2-NH2 2.83Å; E106-R154 PolarHBondContact OE2-NH2 2.82Å; E106-Y156 WeakPolarHBondContact OE1-CE2 3.32Å; E106-Y156 PolarHBondContact OE1-OH 2.84Å; E106-P177 HydrophobicContact CG-CB 4.04Å; E106-V178 PolarHBondContact N-O 3.5Å; E106-H179 VanDerWaalsContact CD-CE1 3.42Å; E106-H179 IonicContact OE1-CE1 3.86Å; E106-H179 PolarHBondContact OE1-CE1 3.22Å; E106-H179 IonicContact OE1-ND1 2.67Å; E106-H179 PolarHBondContact OE1-ND1 3.07Å; E106-H179 IonicContact OE2-CE1 2.67Å; E106-H179 PolarHBondContact OE2-CE1 3.04Å; E106-H179 VanDerWaalsContact OE2-CE1 3.25Å; E106-H179 IonicContact OE2-CG 2.69Å; E106-H179 IonicContact OE2-ND1 3.13Å; E106-H179 PolarHBondContact OE2-ND1 3.48Å
107A85.1Confident90Very high83 Ų8337.7 Ų37.769%0.68619%0.192SC*.G310 helixtrans-65.2-11.8178.500000114.7H105H105-A107 WeakPolarHBondContact ND1-CB 3.34Å; H105-A107 PolarHBondContact ND1-N 3.05Å; H105-A107 PolarHBondContact O-N 2.74Å; H105-A107 VanDerWaalsContact O-N 3.1Å
108Y83.5Confident89.9Confident140 Ų14040.8 Ų40.855%0.54921%0.209SC..G310 helixtrans-92.33.4170.2-55.9-40.5000113.2H105 E106 E183H105-Y108 HydrophobicContact CB-CD2 3.71Å; H105-Y108 HydrophobicContact CB-CE2 3.86Å; H105-Y108 PolarHBondContact O-N 2.91Å; E106-Y108 PolarHBondContact O-N 3.46Å; E106-Y108 VanDerWaalsContact O-N 3.12Å; Y108-E183 HydrophobicContact CD2-CG 3.9Å; Y108-E183 HydrophobicContact CE2-CG 3.99Å
109G81.3Confident89.7Confident32 Ų3242.1 Ų42.133%0.3321%0.214SC..  trans118.2106.1167.600000113.9E106 E111 R112E106-G109 PolarHBondContact O-N 2.95Å; G109-E111 PolarHBondContact O-N 3.2Å; G109-E111 VanDerWaalsContact O-N 3.1Å; G109-R112 WeakPolarHBondContact O-CB 3.43Å; G109-R112 PolarHBondContact O-N 2.87Å
110E84.5Confident89.5Confident79 Ų7942.2 Ų42.237%0.36922%0.215SC..Hα-helixtrans-52.6-31.9176.1-61-178.5177.300113.4E106 R112 I113 L114 Y156E106-E110 HydrophobicContact CB-CG 4.45Å; E110-R112 PolarHBondContact O-N 3.02Å; E110-R112 VanDerWaalsContact O-N 3.16Å; E110-I113 WeakPolarHBondContact O-CB 3.42Å; E110-I113 PolarHBondContact O-N 3.03Å; E110-L114 PolarHBondContact O-N 3.18Å; E110-Y156 HydrophobicContact CB-CE1 4.08Å; E110-Y156 HydrophobicContact CG-CE1 3.99Å; E110-Y156 PolarHBondContact OE1-OH 2.81Å; E110-Y156 VanDerWaalsContact OE1-OH 3.11Å
111E86.5Confident89.3Confident129 Ų12947.3 Ų47.360%0.60324%0.238SC*.Hα-helixtrans-52.2-36174.3-76.8-166.7-154.600113.4G109 L114 K115G109-E111 PolarHBondContact O-N 3.2Å; G109-E111 VanDerWaalsContact O-N 3.1Å; E111-L114 PolarHBondContact O-N 2.83Å; E111-K115 WeakPolarHBondContact O-CB 3.42Å; E111-K115 VanDerWaalsContact O-CD 3.3Å; E111-K115 WeakPolarHBondContact O-CD 3.38Å; E111-K115 WeakPolarHBondContact O-CG 3.13Å; E111-K115 PolarHBondContact O-N 3.43Å; E111-K115 IonicContact OE2-NZ 3.4Å; E111-K115 PolarHBondContact OE2-NZ 3.4Å
112R87Confident89.1Confident54 Ų5453.6 Ų53.620%0.20426%0.262CS..Hα-helixtrans-69-39179.8177.6166.8159.1-109.36.6111W66 L67 G109 E110 V116 E183W66-R112 WeakPolarHBondContact O-CD 3.44Å; W66-R112 PolarHBondContact O-NE 3.25Å; L67-R112 PolarHBondContact O-NH2 2.94Å; G109-R112 WeakPolarHBondContact O-CB 3.43Å; G109-R112 PolarHBondContact O-N 2.87Å; E110-R112 PolarHBondContact O-N 3.02Å; E110-R112 VanDerWaalsContact O-N 3.16Å; R112-V116 WeakPolarHBondContact O-CG2 3.34Å; R112-V116 PolarHBondContact O-N 3.11Å; R112-E183 IonicContact CZ-OE1 3.85Å; R112-E183 IonicContact CZ-OE2 2.86Å; R112-E183 VanDerWaalsContact CZ-OE2 3.29Å; R112-E183 IonicContact NH1-OE1 3.77Å; R112-E183 PolarHBondContact NH1-OE1 2.97Å; R112-E183 IonicContact NH1-OE2 3.23Å; R112-E183 PolarHBondContact NH1-OE2 2.81Å; R112-E183 IonicContact NH2-OE1 2.82Å; R112-E183 IonicContact NH2-OE2 3.12Å; R112-E183 PolarHBondContact NH2-OE2 3.32Å
113I89.2Confident89Confident2 Ų259.3 Ų59.31%0.0130%0.299CS..Hα-helixtrans-65.4-46.5175.1-47.2-175.1000109.8L104 E106 E110 V116 L117 V175 P177L104-I113 HydrophobicContact CB-CD1 4.15Å; L104-I113 HydrophobicContact CB-CG1 3.99Å; L104-I113 HydrophobicContact CD1-CG1 4.25Å; E106-I113 HydrophobicContact CG-CD1 4.2Å; E110-I113 WeakPolarHBondContact O-CB 3.42Å; E110-I113 PolarHBondContact O-N 3.03Å; I113-V116 PolarHBondContact O-N 2.85Å; I113-L117 HydrophobicContact CG2-CD1 4.39Å; I113-L117 WeakPolarHBondContact O-CG 3.31Å; I113-L117 PolarHBondContact O-N 2.81Å; I113-V175 HydrophobicContact CG2-CG2 4.16Å; I113-P177 HydrophobicContact CD1-CB 3.96Å
114L88.1Confident89Confident69 Ų6960.1 Ų60.136%0.36131%0.307SS..Hα-helixtrans-63-42177.7-73.4166.7000112.9E110 E111 V116 L117 D118 P155 Y156E110-L114 PolarHBondContact O-N 3.18Å; E111-L114 PolarHBondContact O-N 2.83Å; L114-V116 VanDerWaalsContact C-N 3.31Å; L114-V116 PolarHBondContact O-N 3.46Å; L114-L117 PolarHBondContact O-N 2.88Å; L114-D118 WeakPolarHBondContact O-CB 3.42Å; L114-D118 PolarHBondContact O-N 2.82Å; L114-P155 HydrophobicContact CD2-CG 4.41Å; L114-Y156 HydrophobicContact CD2-CD1 4.17Å; L114-Y156 HydrophobicContact CG-CD1 4.21Å
115K89.9Confident89.1Confident103 Ų10360.4 Ų60.445%0.44831%0.308SS..Hα-helixtrans-63.1-35.3176.3-74.6161.2-169.81660112.5E111 F119E111-K115 WeakPolarHBondContact O-CB 3.42Å; E111-K115 VanDerWaalsContact O-CD 3.3Å; E111-K115 WeakPolarHBondContact O-CD 3.38Å; E111-K115 WeakPolarHBondContact O-CG 3.13Å; E111-K115 PolarHBondContact O-N 3.43Å; E111-K115 IonicContact OE2-NZ 3.4Å; E111-K115 PolarHBondContact OE2-NZ 3.4Å; K115-F119 WeakPolarHBondContact O-CB 3.22Å; K115-F119 PolarHBondContact O-N 2.8Å
116V91.1Very high89.3Confident0 Ų064.6 Ų64.60%033%0.328CS..Hα-helixtrans-74.1-40.4177.5173.20000111.3L63 L67 R112 I113 L114 F119 F120 V175L63-V116 HydrophobicContact CD1-CG1 4.05Å; L67-V116 HydrophobicContact CD1-CG2 4.49Å; L67-V116 HydrophobicContact CD2-CG2 3.65Å; L67-V116 HydrophobicContact CG-CG2 4.15Å; R112-V116 WeakPolarHBondContact O-CG2 3.34Å; R112-V116 PolarHBondContact O-N 3.11Å; I113-V116 PolarHBondContact O-N 2.85Å; L114-V116 VanDerWaalsContact C-N 3.31Å; L114-V116 PolarHBondContact O-N 3.46Å; V116-F119 PolarHBondContact O-N 3.22Å; V116-F120 HydrophobicContact CG1-CD2 4.12Å; V116-F120 HydrophobicContact CG1-CE2 3.69Å; V116-F120 HydrophobicContact CG1-CZ 3.98Å; V116-F120 WeakPolarHBondContact O-CG 3.38Å; V116-F120 PolarHBondContact O-N 2.84Å; V116-V175 HydrophobicContact CG1-CB 4.03Å; V116-V175 HydrophobicContact CG1-CG1 3.99Å; V116-V175 HydrophobicContact CG1-CG2 4.24Å
117L90.4Very high89.5Confident6 Ų670.2 Ų70.23%0.03135%0.349CS..Hα-helixtrans-62.3-46.4172.5-74.4170.3000112.1I113 L114 F119 F120 Q121 P159 V175I113-L117 HydrophobicContact CG2-CD1 4.39Å; I113-L117 WeakPolarHBondContact O-CG 3.31Å; I113-L117 PolarHBondContact O-N 2.81Å; L114-L117 PolarHBondContact O-N 2.88Å; L117-F119 VanDerWaalsContact C-N 3.28Å; L117-F119 PolarHBondContact O-N 2.79Å; L117-F120 PolarHBondContact O-N 3.03Å; L117-Q121 VanDerWaalsContact O-CG 3.27Å; L117-Q121 WeakPolarHBondContact O-CG 3.41Å; L117-Q121 PolarHBondContact O-N 2.86Å; L117-P159 HydrophobicContact CD1-CB 4.25Å; L117-P159 HydrophobicContact CD2-CB 3.96Å; L117-V175 HydrophobicContact CD2-CG1 3.41Å; L117-V175 VanDerWaalsContact CD2-CG1 3.41Å; L117-V175 HydrophobicContact CG-CG1 3.64Å
118D90.9Very high89.6Confident66 Ų6670.3 Ų70.335%0.35334%0.335SS..Hα-helixtrans-61.3-35.1175.7176.856.1000112.3L114 Q121 R122L114-D118 WeakPolarHBondContact O-CB 3.42Å; L114-D118 PolarHBondContact O-N 2.82Å; D118-Q121 PolarHBondContact O-N 3.34Å; D118-R122 VanDerWaalsContact CG-CZ 3.45Å; D118-R122 VanDerWaalsContact CG-NE 3.31Å; D118-R122 WeakPolarHBondContact O-CD 3.19Å; D118-R122 VanDerWaalsContact O-CG 3.22Å; D118-R122 WeakPolarHBondContact O-CG 3.42Å; D118-R122 PolarHBondContact O-NE 3.02Å; D118-R122 IonicContact OD1-CZ 2.69Å; D118-R122 IonicContact OD1-NE 3.83Å; D118-R122 PolarHBondContact OD1-NE 2.86Å; D118-R122 IonicContact OD1-NH2 3.82Å; D118-R122 PolarHBondContact OD1-NH2 3.13Å; D118-R122 IonicContact OD2-CZ 4Å; D118-R122 IonicContact OD2-NE 3.14Å; D118-R122 PolarHBondContact OD2-NE 3.01Å; D118-R122 IonicContact OD2-NH1 3.49Å; D118-R122 IonicContact OD2-NH2 3.64Å; D118-R122 PolarHBondContact OD2-NH2 3.1Å
119F92.3Very high89.9Confident33 Ų3365 Ų6515%0.14532%0.316CS..Hα-helixtrans-67.8-45.8173.4-174.7-111.4000112.5T59 H62 L63 W66 K115 V116 L117 Q121 R122 W125T59-F119 HydrophobicContact CG2-CE1 4.18Å; T59-F119 HydrophobicContact CG2-CZ 3.86Å; T59-F119 WeakPolarHBondContact O-CZ 3.3Å; H62-F119 HydrophobicContact CB-CE2 4.38Å; H62-F119 HydrophobicContact CB-CZ 4.09Å; L63-F119 HydrophobicContact CB-CE1 3.93Å; L63-F119 HydrophobicContact CD1-CD1 4Å; L63-F119 HydrophobicContact CD1-CE1 4.24Å; W66-F119 HydrophobicContact CH2-CB 4.43Å; W66-F119 AromaticContact CH2-CD2 3.66Å; W66-F119 HydrophobicContact CH2-CD2 3.66Å; W66-F119 AromaticContact CH2-CE2 3.98Å; W66-F119 HydrophobicContact CH2-CE2 3.98Å; W66-F119 HydrophobicContact CH2-CG 4.07Å; W66-F119 HydrophobicContact CZ3-CB 3.86Å; W66-F119 AromaticContact CZ3-CD1 3.91Å; W66-F119 HydrophobicContact CZ3-CD1 3.91Å; W66-F119 AromaticContact CZ3-CD2 3.63Å; W66-F119 HydrophobicContact CZ3-CD2 3.63Å; W66-F119 HydrophobicContact CZ3-CE1 4.27Å; W66-F119 HydrophobicContact CZ3-CE2 4.04Å; W66-F119 AromaticContact CZ3-CG 3.54Å; W66-F119 HydrophobicContact CZ3-CG 3.54Å; W66-F119 HydrophobicContact CZ3-CZ 4.33Å; K115-F119 WeakPolarHBondContact O-CB 3.22Å; K115-F119 PolarHBondContact O-N 2.8Å; V116-F119 PolarHBondContact O-N 3.22Å; L117-F119 VanDerWaalsContact C-N 3.28Å; L117-F119 PolarHBondContact O-N 2.79Å; F119-Q121 PolarHBondContact O-N 3.33Å; F119-R122 PolarHBondContact O-N 2.83Å; F119-R122 VanDerWaalsContact O-N 3.16Å; F119-W125 HydrophobicContact CD1-CZ2 4.42Å; F119-W125 AromaticContact CD1-NE1 3.34Å; F119-W125 VanDerWaalsContact CD1-NE1 3.34Å; F119-W125 AromaticContact CE1-CE2 3.76Å; F119-W125 AromaticContact CE1-CZ2 3.93Å; F119-W125 HydrophobicContact CE1-CZ2 3.93Å; F119-W125 AromaticContact CE1-NE1 3.05Å; F119-W125 AromaticContact CZ-NE1 3.67Å
120F92.6Very high90.2Very high1 Ų166.6 Ų66.60%0.00432%0.319CS..Hα-helixtrans-65.2-23175.8-70.5-27000113.7L63 V116 L117 R122 W125 Y164 W173 V175L63-F120 HydrophobicContact CD1-CE1 3.68Å; L63-F120 HydrophobicContact CD1-CZ 3.92Å; L63-F120 HydrophobicContact CD2-CE1 3.92Å; L63-F120 HydrophobicContact CD2-CZ 4.28Å; L63-F120 HydrophobicContact CG-CE1 4.48Å; V116-F120 HydrophobicContact CG1-CD2 4.12Å; V116-F120 HydrophobicContact CG1-CE2 3.69Å; V116-F120 HydrophobicContact CG1-CZ 3.98Å; V116-F120 WeakPolarHBondContact O-CG 3.38Å; V116-F120 PolarHBondContact O-N 2.84Å; L117-F120 PolarHBondContact O-N 3.03Å; F120-R122 VanDerWaalsContact C-N 3.26Å; F120-R122 PolarHBondContact O-N 3.23Å; F120-W125 AromaticContact CD1-CD2 3.71Å; F120-W125 HydrophobicContact CD1-CD2 3.71Å; F120-W125 AromaticContact CD1-CE2 3.74Å; F120-W125 AromaticContact CD1-CE3 3.84Å; F120-W125 HydrophobicContact CD1-CE3 3.84Å; F120-W125 HydrophobicContact CD1-CG 4.28Å; F120-W125 HydrophobicContact CD1-CH2 4.08Å; F120-W125 AromaticContact CD1-CZ2 3.95Å; F120-W125 HydrophobicContact CD1-CZ2 3.95Å; F120-W125 HydrophobicContact CD1-CZ3 4.01Å; F120-W125 HydrophobicContact CE1-CD2 4.29Å; F120-W125 HydrophobicContact CE1-CE3 4.18Å; F120-W125 AromaticContact CE1-CH2 3.65Å; F120-W125 HydrophobicContact CE1-CH2 3.65Å; F120-W125 AromaticContact CE1-CZ2 3.76Å; F120-W125 HydrophobicContact CE1-CZ2 3.76Å; F120-W125 AromaticContact CE1-CZ3 3.86Å; F120-W125 HydrophobicContact CE1-CZ3 3.86Å; F120-W125 WeakPolarHBondContact O-CB 3.43Å; F120-Y164 HydrophobicContact CB-CD1 4.1Å; F120-Y164 HydrophobicContact CB-CD2 3.56Å; F120-Y164 HydrophobicContact CB-CE1 4.35Å; F120-Y164 HydrophobicContact CB-CE2 3.81Å; F120-Y164 HydrophobicContact CB-CG 3.71Å; F120-Y164 AromaticContact CD2-CD2 3.92Å; F120-Y164 HydrophobicContact CD2-CD2 3.92Å; F120-Y164 HydrophobicContact CD2-CE2 4.28Å; F120-Y164 AromaticContact CG-CD2 3.96Å; F120-Y164 HydrophobicContact CG-CD2 3.96Å; F120-Y164 HydrophobicContact CG-CE2 4.46Å; F120-Y164 HydrophobicContact CG-CG 4.32Å; F120-Y164 WeakPolarHBondContact O-CD1 3.34Å; F120-W173 HydrophobicContact CE1-CB 4.08Å; F120-W173 HydrophobicContact CZ-CB 3.94Å; F120-V175 HydrophobicContact CD2-CG1 4.28Å; F120-V175 HydrophobicContact CE2-CB 4.21Å; F120-V175 HydrophobicContact CE2-CG1 4.11Å
121Q91.4Very high89.9Confident107 Ų10765 Ų6550%0.531%0.311SS..THydrogen-bonded Turntrans-82.92.7175.9-71171.617.400113.6L117 D118 F119 Y164L117-Q121 VanDerWaalsContact O-CG 3.27Å; L117-Q121 WeakPolarHBondContact O-CG 3.41Å; L117-Q121 PolarHBondContact O-N 2.86Å; D118-Q121 PolarHBondContact O-N 3.34Å; F119-Q121 PolarHBondContact O-N 3.33Å; Q121-Y164 HydrophobicContact CG-CE1 4.05Å; Q121-Y164 WeakPolarHBondContact CG-OH 3.46Å; Q121-Y164 PolarHBondContact NE2-OH 3.04Å
122R92.1Very high88.7Confident138 Ų13864.1 Ų64.152%0.52132%0.319SS..SBendtrans-121.5145-176.3-67.4167.9-173.6-148.42.2111.9D118 F119 F120 W125D118-R122 VanDerWaalsContact CG-CZ 3.45Å; D118-R122 VanDerWaalsContact CG-NE 3.31Å; D118-R122 WeakPolarHBondContact O-CD 3.19Å; D118-R122 VanDerWaalsContact O-CG 3.22Å; D118-R122 WeakPolarHBondContact O-CG 3.42Å; D118-R122 PolarHBondContact O-NE 3.02Å; D118-R122 IonicContact OD1-CZ 2.69Å; D118-R122 IonicContact OD1-NE 3.83Å; D118-R122 PolarHBondContact OD1-NE 2.86Å; D118-R122 IonicContact OD1-NH2 3.82Å; D118-R122 PolarHBondContact OD1-NH2 3.13Å; D118-R122 IonicContact OD2-CZ 4Å; D118-R122 IonicContact OD2-NE 3.14Å; D118-R122 PolarHBondContact OD2-NE 3.01Å; D118-R122 IonicContact OD2-NH1 3.49Å; D118-R122 IonicContact OD2-NH2 3.64Å; D118-R122 PolarHBondContact OD2-NH2 3.1Å; F119-R122 PolarHBondContact O-N 2.83Å; F119-R122 VanDerWaalsContact O-N 3.16Å; F120-R122 VanDerWaalsContact C-N 3.26Å; F120-R122 PolarHBondContact O-N 3.23Å; R122-W125 VanDerWaalsContact O-CB 3.3Å; R122-W125 WeakPolarHBondContact O-CB 3.4Å; R122-W125 PolarHBondContact O-N 3.39Å; R122-W125 VanDerWaalsContact O-N 3.07Å
123P91.4Very high86.7Confident123 Ų12365 Ų6580%0.79933%0.333SS*.THydrogen-bonded Turntrans-52.5141.9173-27.135.5000112.5
124P92.4Very high84.4Confident48 Ų4869 Ų6931%0.31238%0.375SS..THydrogen-bonded Turncis-80-4.211.832.9-37.5000115.6T59 L166T59-P124 HydrophobicContact CG2-CG 3.85Å; P124-L166 HydrophobicContact CB-CD2 4.44Å; P124-L166 HydrophobicContact CG-CD2 3.88Å
125W94.1Very high81.7Confident11 Ų1168.8 Ų68.84%0.04238%0.379CS..  trans-65.2145.4-179.7-58.495.5000112.9T59 L63 F119 F120 R122 L166 W173T59-W125 HydrophobicContact CG2-CZ2 4.09Å; L63-W125 HydrophobicContact CD2-CH2 4.01Å; L63-W125 HydrophobicContact CD2-CZ2 3.96Å; F119-W125 HydrophobicContact CD1-CZ2 4.42Å; F119-W125 AromaticContact CD1-NE1 3.34Å; F119-W125 VanDerWaalsContact CD1-NE1 3.34Å; F119-W125 AromaticContact CE1-CE2 3.76Å; F119-W125 AromaticContact CE1-CZ2 3.93Å; F119-W125 HydrophobicContact CE1-CZ2 3.93Å; F119-W125 AromaticContact CE1-NE1 3.05Å; F119-W125 AromaticContact CZ-NE1 3.67Å; F120-W125 AromaticContact CD1-CD2 3.71Å; F120-W125 HydrophobicContact CD1-CD2 3.71Å; F120-W125 AromaticContact CD1-CE2 3.74Å; F120-W125 AromaticContact CD1-CE3 3.84Å; F120-W125 HydrophobicContact CD1-CE3 3.84Å; F120-W125 HydrophobicContact CD1-CG 4.28Å; F120-W125 HydrophobicContact CD1-CH2 4.08Å; F120-W125 AromaticContact CD1-CZ2 3.95Å; F120-W125 HydrophobicContact CD1-CZ2 3.95Å; F120-W125 HydrophobicContact CD1-CZ3 4.01Å; F120-W125 HydrophobicContact CE1-CD2 4.29Å; F120-W125 HydrophobicContact CE1-CE3 4.18Å; F120-W125 AromaticContact CE1-CH2 3.65Å; F120-W125 HydrophobicContact CE1-CH2 3.65Å; F120-W125 AromaticContact CE1-CZ2 3.76Å; F120-W125 HydrophobicContact CE1-CZ2 3.76Å; F120-W125 AromaticContact CE1-CZ3 3.86Å; F120-W125 HydrophobicContact CE1-CZ3 3.86Å; F120-W125 WeakPolarHBondContact O-CB 3.43Å; R122-W125 VanDerWaalsContact O-CB 3.3Å; R122-W125 WeakPolarHBondContact O-CB 3.4Å; R122-W125 PolarHBondContact O-N 3.39Å; R122-W125 VanDerWaalsContact O-N 3.07Å; W125-L166 HydrophobicContact CD2-CD2 3.56Å; W125-L166 HydrophobicContact CD2-CG 4.12Å; W125-L166 HydrophobicContact CE3-CD2 3.73Å; W125-L166 HydrophobicContact CE3-CG 3.73Å; W125-L166 HydrophobicContact CG-CD2 4.15Å; W125-L166 HydrophobicContact CH2-CD1 3.66Å; W125-L166 HydrophobicContact CH2-CD2 3.97Å; W125-L166 HydrophobicContact CH2-CG 3.75Å; W125-L166 HydrophobicContact CZ2-CD1 4.09Å; W125-L166 HydrophobicContact CZ2-CD2 3.81Å; W125-L166 HydrophobicContact CZ2-CG 4.12Å; W125-L166 HydrophobicContact CZ3-CD1 3.94Å; W125-L166 HydrophobicContact CZ3-CD2 3.93Å; W125-L166 HydrophobicContact CZ3-CG 3.54Å; W125-W173 HydrophobicContact CH2-CB 4.23Å; W125-W173 AromaticContact CH2-CD2 3.82Å; W125-W173 HydrophobicContact CH2-CD2 3.82Å; W125-W173 HydrophobicContact CH2-CE3 4.3Å; W125-W173 AromaticContact CH2-CG 3.8Å; W125-W173 HydrophobicContact CH2-CG 3.8Å; W125-W173 HydrophobicContact CZ3-CB 3.72Å; W125-W173 AromaticContact CZ3-CD1 3.52Å; W125-W173 HydrophobicContact CZ3-CD2 4.02Å; W125-W173 AromaticContact CZ3-CG 3.48Å; W125-W173 HydrophobicContact CZ3-CG 3.48Å; W125-W173 VanDerWaalsContact CZ3-CG 3.48Å
126Q92.6Very high79.4Confident115 Ų11574.7 Ų74.754%0.53740%0.398SS..EExtended strand (participates in β ladder)trans-131129.8-179.7-62.4171.544.700108.5H128 Y164 S165Q126-H128 PolarHBondContact O-N 2.81Å; Q126-Y164 CarbonylContact O-C 3.58Å; Q126-Y164 VanDerWaalsContact O-CA 3.25Å; Q126-Y164 WeakPolarHBondContact O-CA 3.48Å; Q126-S165 PolarHBondContact N-O 2.93Å; Q126-S165 PolarHBondContact O-N 3.38Å
127Y92.4Very high76.5Confident135 Ų13579 Ų7953%0.52943%0.425SS..EExtended strand (participates in β ladder)trans-61.8132.3172.3163.8-90.4000110.2H129 T130 D162 Y164Y127-H129 WeakPolarHBondContact OH-CA 3.42Å; Y127-T130 PolarHBondContact OH-N 3.15Å; Y127-T130 PolarHBondContact OH-OG1 3.31Å; Y127-D162 HydrophobicContact CD2-CB 4.29Å; Y127-D162 HydrophobicContact CE2-CB 4.24Å; Y127-Y164 HydrophobicContact CD2-CE1 4.4Å
128H88.8Confident74Confident85 Ų8590.6 Ų90.639%0.39447%0.468SS..EExtended strand (participates in β ladder)trans-108.2-56.3-179.3-175.3-40.9000111.8Q126 F163 V172Q126-H128 PolarHBondContact O-N 2.81Å; H128-F163 WeakPolarHBondContact CB-O 3.25Å; H128-F163 PolarHBondContact N-O 3.19Å; H128-V172 HydrophobicContact CB-CG1 4.33Å; H128-V172 WeakPolarHBondContact CD2-CG1 3.44Å
129H89.9Confident71.3Confident30 Ų3090.9 Ų90.914%0.13949%0.486CS..EExtended strand (participates in β ladder)trans-164.2154178.272.7-81.1000112.2Y95 Y127 F163Y95-H129 AromaticContact CE2-NE2 3.64Å; Y95-H129 AromaticContact CZ-NE2 3.56Å; Y95-H129 PolarHBondContact OH-NE2 3.32Å; Y127-H129 WeakPolarHBondContact OH-CA 3.42Å; H129-F163 AromaticContact CE1-CD2 3.55Å; H129-F163 AromaticContact CE1-CG 3.98Å; H129-F163 PolarHBondContact N-O 3.23Å; H129-F163 AromaticContact NE2-CD2 3.47Å; H129-F163 WeakPolarHBondContact NE2-CD2 3.37Å; H129-F163 WeakPolarHBondContact O-CB 3.38Å; H129-F163 PolarHBondContact O-N 3.12Å
130T86.1Confident68.4Low65 Ų6594 Ų9440%0.39950%0.503SS..EExtended strand (participates in β ladder)trans-85.9134163.2-480000110.1Y127 S132 R161 D162Y127-T130 PolarHBondContact OH-N 3.15Å; Y127-T130 PolarHBondContact OH-OG1 3.31Å; T130-S132 PolarHBondContact O-N 2.84Å; T130-R161 HydrophobicContact CG2-CB 3.66Å; T130-D162 VanDerWaalsContact CB-OD1 3.31Å; T130-D162 WeakPolarHBondContact CB-OD1 3.46Å; T130-D162 WeakPolarHBondContact CG2-OD1 3.38Å; T130-D162 PolarHBondContact OG1-OD1 2.81Å
131E77.9Confident65.6Low45 Ų45101.7 Ų101.721%0.2154%0.539CS..  trans-70.1101.7172.6-171.4169.3-157.200110.5C133 R161 F163 R176 K236E131-C133 PolarHBondContact O-N 3.32Å; E131-R161 WeakPolarHBondContact CB-O 3.37Å; E131-R161 PolarHBondContact N-O 3.39Å; E131-F163 HydrophobicContact CB-CD2 4.25Å; E131-F163 HydrophobicContact CB-CE2 3.98Å; E131-F163 HydrophobicContact CG-CE2 4.4Å; E131-R176 IonicContact OE2-CZ 3.73Å; E131-R176 IonicContact OE2-NE 3.73Å; E131-R176 IonicContact OE2-NH2 2.77Å; E131-R176 PolarHBondContact OE2-NH2 3.42Å; E131-K236 IonicContact OE1-NZ 2.62Å; E131-K236 PolarHBondContact OE1-NZ 2.58Å
132S61.6Low63.2Low110 Ų110102.7 Ų102.777%0.76955%0.547SS*.  trans-71.1112.5172.5-169.20000109.8T130 G134T130-S132 PolarHBondContact O-N 2.84Å; S132-G134 PolarHBondContact O-N 2.81Å
133C46.1Very low60.5Low74 Ų74100.8 Ų100.850%0.555%0.551SS.*  trans-57.3134.2175.4-171.90000110E131 S135E131-C133 PolarHBondContact O-N 3.32Å; C133-S135 PolarHBondContact O-N 2.99Å
134G39.8Very low58Low85 Ų85100.3 Ų100.388%0.87655%0.55SS**SBendtrans-68.681.3-164.100000115.5S132S132-G134 PolarHBondContact O-N 2.81Å
135S32.4Very low55.4Low65 Ų65103 Ų10346%0.45557%0.57SS.*  trans-145.5112.8157.3-177.90000110.6C133 T137C133-S135 PolarHBondContact O-N 2.99Å; S135-T137 PolarHBondContact O-N 3.4Å; S135-T137 PolarHBondContact OG-N 3.33Å; S135-T137 PolarHBondContact OG-OG1 3.22Å
136R41.5Very low52.9Low226 Ų226105.8 Ų105.885%0.85359%0.591SS**  trans-8932.2168.9-94.6-169.1-88.4-178.9-5.9112.2R138R136-R138 PolarHBondContact O-N 2.76Å
137T30.6Very low50.5Low90 Ų90103.3 Ų103.355%0.55259%0.587SS**  trans-62.1110161.4-63.40000108.9S135 G139 I140S135-T137 PolarHBondContact O-N 3.4Å; S135-T137 PolarHBondContact OG-N 3.33Å; S135-T137 PolarHBondContact OG-OG1 3.22Å; T137-G139 PolarHBondContact O-N 2.98Å; T137-I140 HydrophobicContact CG2-CD1 4.13Å; T137-I140 HydrophobicContact CG2-CG1 3.92Å; T137-I140 PolarHBondContact O-N 3.41Å
138R36.4Very low48.5Very low251 Ų251101.9 Ų101.995%0.94759%0.594SS**THydrogen-bonded Turntrans-52.2103.3-179.6174-177.3171.3173.2-3110.8R136R136-R138 PolarHBondContact O-N 2.76Å
139G35.1Very low46.6Very low71 Ų71100.3 Ų100.373%0.73260%0.596SS**THydrogen-bonded Turntrans90.533.2174.300000115.7T137 H141T137-G139 PolarHBondContact O-N 2.98Å; G139-H141 PolarHBondContact O-N 2.77Å
140I31.7Very low44.7Very low98 Ų98102.6 Ų102.650%0.50361%0.609SS.*  trans-67.382.8153.3-60.5-179.1000108.2T137T137-I140 HydrophobicContact CG2-CD1 4.13Å; T137-I140 HydrophobicContact CG2-CG1 3.92Å; T137-I140 PolarHBondContact O-N 3.41Å
141H32.6Very low43Very low163 Ų163101.5 Ų101.576%0.75561%0.606SS**  trans-46.8147.9147.9-158-87000108.2G139 T143G139-H141 PolarHBondContact O-N 2.77Å; H141-T143 PolarHBondContact O-N 2.95Å
142I41.5Very low41.9Very low128 Ų128106.5 Ų106.566%0.65663%0.634SS**  trans-53.5111.2176-61.7174.8000107.7S144I142-S144 PolarHBondContact O-N 2.79Å
143T34.5Very low41.8Very low99 Ų99107.4 Ų107.461%0.60763%0.629SS**  trans-74.9117.8178.6330000107.6H141 S145H141-T143 PolarHBondContact O-N 2.95Å; T143-S145 PolarHBondContact O-N 2.81Å; T143-S145 PolarHBondContact O-OG 2.95Å
144S39.5Very low42.7Very low113 Ų113107.2 Ų107.279%0.7962%0.618SS**THydrogen-bonded Turntrans-61.639.4-171.1-430000116.5I142I142-S144 PolarHBondContact O-N 2.79Å
145S38.4Very low43.6Very low105 Ų105106.8 Ų106.873%0.73460%0.6SS**THydrogen-bonded Turntrans-83.4-37.9169.557.90000111.4T143 S147T143-S145 PolarHBondContact O-N 2.81Å; T143-S145 PolarHBondContact O-OG 2.95Å; S145-S147 PolarHBondContact O-N 3Å; S145-S147 VanDerWaalsContact O-N 3.17Å
146S42.5Very low45.1Very low68 Ų68103.8 Ų103.848%0.47658%0.579SS.*SBendtrans-77.196.2159.851.10000109.7
147S42.2Very low46.5Very low64 Ų6495.9 Ų95.945%0.44855%0.553SS.*  trans-49.8140.7166.4171.80000110.1S145 A149 N150S145-S147 PolarHBondContact O-N 3Å; S145-S147 VanDerWaalsContact O-N 3.17Å; S147-A149 PolarHBondContact O-N 2.89Å; S147-A149 PolarHBondContact OG-N 2.83Å; S147-N150 WeakPolarHBondContact O-CB 3.12Å; S147-N150 PolarHBondContact O-N 2.85Å
148P48.6Very low47.9Very low105 Ų10597.6 Ų97.668%0.68256%0.558SS**Hα-helixtrans-58.1-21.7177.923-33.7000113.1N150 A151 L152P148-N150 VanDerWaalsContact C-N 3.29Å; P148-N150 PolarHBondContact O-N 3.5Å; P148-A151 PolarHBondContact O-N 2.71Å; P148-L152 WeakPolarHBondContact O-CG 3.31Å; P148-L152 PolarHBondContact O-N 2.98Å
149A49.4Very low49.2Very low52 Ų5287.1 Ų87.143%0.4352%0.523SS..Hα-helixtrans-60.2-35.5169.500000112.9S147 L152 L153S147-A149 PolarHBondContact O-N 2.89Å; S147-A149 PolarHBondContact OG-N 2.83Å; A149-L152 WeakPolarHBondContact O-CB 3.37Å; A149-L152 PolarHBondContact O-N 3.16Å; A149-L153 WeakPolarHBondContact O-CG 3.43Å; A149-L153 PolarHBondContact O-N 2.76Å
150N49.4Very low50.9Low77 Ų7784.2 Ų84.241%0.41249%0.491SS..Hα-helixtrans-74.6-30.4-177.1-144.7-2000112.1S147 P148 L152 L153 R154S147-N150 WeakPolarHBondContact O-CB 3.12Å; S147-N150 PolarHBondContact O-N 2.85Å; P148-N150 VanDerWaalsContact C-N 3.29Å; P148-N150 PolarHBondContact O-N 3.5Å; N150-L152 VanDerWaalsContact C-N 3.35Å; N150-L153 PolarHBondContact O-N 3.11Å; N150-R154 PolarHBondContact O-N 3.25Å; N150-R154 VanDerWaalsContact O-N 3.14Å
151A51.2Low53.3Low42 Ų4285.3 Ų85.335%0.34749%0.489SS..Hα-helixtrans-70.1-31.1169.800000112.6P148 R154P148-A151 PolarHBondContact O-N 2.71Å; A151-R154 CarbonylContact O-C 3.5Å
152L55.4Low56Low150 Ų15078.9 Ų78.979%0.78546%0.46SS*.Hα-helixtrans-73.4-31171.6-68.1170.1000112.6P148 A149 N150P148-L152 WeakPolarHBondContact O-CG 3.31Å; P148-L152 PolarHBondContact O-N 2.98Å; A149-L152 WeakPolarHBondContact O-CB 3.37Å; A149-L152 PolarHBondContact O-N 3.16Å; N150-L152 VanDerWaalsContact C-N 3.35Å
153L58.3Low58.5Low129 Ų12972.8 Ų72.868%0.67543%0.429SS*.Hα-helixtrans-73.6-29.4176.1-73.2169.3000113.2A149 N150A149-L153 WeakPolarHBondContact O-CG 3.43Å; A149-L153 PolarHBondContact O-N 2.76Å; N150-L153 PolarHBondContact O-N 3.11Å
154R64.8Low61.4Low70 Ų7068.5 Ų68.526%0.26440%0.402SS..  trans-131.780178.9-69.4-178.7161.3158-11.3111.6E106 N150 A151 Y156 L157 H179E106-R154 IonicContact OE1-CZ 2.61Å; E106-R154 IonicContact OE1-NE 3.38Å; E106-R154 PolarHBondContact OE1-NE 2.77Å; E106-R154 IonicContact OE1-NH2 3.29Å; E106-R154 IonicContact OE2-CZ 2.74Å; E106-R154 IonicContact OE2-NE 3.7Å; E106-R154 IonicContact OE2-NH2 2.83Å; E106-R154 PolarHBondContact OE2-NH2 2.82Å; N150-R154 PolarHBondContact O-N 3.25Å; N150-R154 VanDerWaalsContact O-N 3.14Å; A151-R154 CarbonylContact O-C 3.5Å; R154-Y156 HydrophobicContact CB-CE1 4.05Å; R154-Y156 HydrophobicContact CB-CE2 4.21Å; R154-Y156 VanDerWaalsContact CD-OH 3.32Å; R154-Y156 WeakPolarHBondContact CD-OH 3.39Å; R154-Y156 HydrophobicContact CG-CE1 4.23Å; R154-Y156 HydrophobicContact CG-CE2 4.49Å; R154-Y156 WeakPolarHBondContact CG-OH 3.28Å; R154-Y156 PolarHBondContact NE-OH 3.37Å; R154-Y156 PolarHBondContact O-N 2.91Å; R154-L157 HydrophobicContact CB-CD1 3.66Å; R154-L157 HydrophobicContact CB-CG 3.69Å; R154-L157 HydrophobicContact CG-CD1 4.45Å; R154-L157 PolarHBondContact O-N 2.94Å; R154-L157 VanDerWaalsContact O-N 3.07Å; R154-H179 PolarHBondContact NH1-CE1 2.69Å; R154-H179 VanDerWaalsContact NH1-CE1 3.28Å; R154-H179 PolarHBondContact NH2-CE1 2.86Å
155P59.7Low64Low77 Ų7763.5 Ų63.550%0.537%0.367SS..THydrogen-bonded Turntrans-63.1-18.6-172.423.9-34.1000114.6L114 P159L114-P155 HydrophobicContact CD2-CG 4.41Å; P155-P159 WeakPolarHBondContact O-CD 3.45Å
156Y64.6Low66.6Low1 Ų159.8 Ų59.80%0.00434%0.338CS..THydrogen-bonded Turntrans-78-1517752.6-95.9000114E106 E110 L114 R154 L158 S160 P177E106-Y156 WeakPolarHBondContact OE1-CE2 3.32Å; E106-Y156 PolarHBondContact OE1-OH 2.84Å; E110-Y156 HydrophobicContact CB-CE1 4.08Å; E110-Y156 HydrophobicContact CG-CE1 3.99Å; E110-Y156 PolarHBondContact OE1-OH 2.81Å; E110-Y156 VanDerWaalsContact OE1-OH 3.11Å; L114-Y156 HydrophobicContact CD2-CD1 4.17Å; L114-Y156 HydrophobicContact CG-CD1 4.21Å; R154-Y156 HydrophobicContact CB-CE1 4.05Å; R154-Y156 HydrophobicContact CB-CE2 4.21Å; R154-Y156 VanDerWaalsContact CD-OH 3.32Å; R154-Y156 WeakPolarHBondContact CD-OH 3.39Å; R154-Y156 HydrophobicContact CG-CE1 4.23Å; R154-Y156 HydrophobicContact CG-CE2 4.49Å; R154-Y156 WeakPolarHBondContact CG-OH 3.28Å; R154-Y156 PolarHBondContact NE-OH 3.37Å; R154-Y156 PolarHBondContact O-N 2.91Å; Y156-L158 VanDerWaalsContact C-N 3.35Å; Y156-L158 PolarHBondContact O-N 2.86Å; Y156-S160 VanDerWaalsContact O-CB 3.23Å; Y156-S160 WeakPolarHBondContact O-CB 3.34Å; Y156-S160 PolarHBondContact O-N 3.09Å; Y156-P177 HydrophobicContact CD2-CB 4.09Å; Y156-P177 HydrophobicContact CD2-CG 3.95Å; Y156-P177 HydrophobicContact CE2-CB 3.83Å; Y156-P177 HydrophobicContact CE2-CG 3.98Å
157L69.5Low68.8Low60 Ų6057.2 Ų57.231%0.31432%0.323SS..THydrogen-bonded Turntrans-62.6-37.5-175.3-72.6178.1000113.4R154 S160 P177R154-L157 HydrophobicContact CB-CD1 3.66Å; R154-L157 HydrophobicContact CB-CG 3.69Å; R154-L157 HydrophobicContact CG-CD1 4.45Å; R154-L157 PolarHBondContact O-N 2.94Å; R154-L157 VanDerWaalsContact O-N 3.07Å; L157-S160 PolarHBondContact O-OG 3.47Å; L157-P177 HydrophobicContact CD2-CG 4.12Å
158L61.3Low70.9Confident127 Ų12758.1 Ų58.167%0.66533%0.327SS*.THydrogen-bonded Turntrans-73-54.7179.9-79163.2000111.9Y156 S160 R161Y156-L158 VanDerWaalsContact C-N 3.35Å; Y156-L158 PolarHBondContact O-N 2.86Å; L158-S160 PolarHBondContact O-N 3.31Å; L158-R161 PolarHBondContact O-N 3.19Å
159P62.5Low72.7Confident30 Ų3054 Ų5420%0.19530%0.304CS..G310 helixtrans-64.5-18.4175.6-22.434.7000114.3L117 P155 R161 D162L117-P159 HydrophobicContact CD1-CB 4.25Å; L117-P159 HydrophobicContact CD2-CB 3.96Å; P155-P159 WeakPolarHBondContact O-CD 3.45Å; P159-R161 PolarHBondContact O-N 3.08Å; P159-D162 WeakPolarHBondContact O-CB 3.34Å; P159-D162 PolarHBondContact O-N 3.3Å
160S70.8Confident74.8Confident11 Ų1152.7 Ų52.78%0.07729%0.289CS..G310 helixtrans-61.2-16.4177.974.50000113.7Y156 L157 L158 V175 R176 P177Y156-S160 VanDerWaalsContact O-CB 3.23Å; Y156-S160 WeakPolarHBondContact O-CB 3.34Å; Y156-S160 PolarHBondContact O-N 3.09Å; L157-S160 PolarHBondContact O-OG 3.47Å; L158-S160 PolarHBondContact O-N 3.31Å; S160-V175 WeakPolarHBondContact CA-O 3.3Å; S160-V175 VanDerWaalsContact O-O 3.12Å; S160-R176 WeakPolarHBondContact O-CD 3.33Å; S160-R176 PolarHBondContact O-NE 3.02Å; S160-R176 PolarHBondContact O-NH1 3.06Å; S160-P177 VanDerWaalsContact CB-CD 3.4Å
161R82.1Confident76.9Confident121 Ų12149 Ų4946%0.45727%0.27SS..G310 helixtrans-86.7-8.5173.9-67.4-173.5176.4-174.4-2.8114T130 E131 L158 P159T130-R161 HydrophobicContact CG2-CB 3.66Å; E131-R161 WeakPolarHBondContact CB-O 3.37Å; E131-R161 PolarHBondContact N-O 3.39Å; L158-R161 PolarHBondContact O-N 3.19Å; P159-R161 PolarHBondContact O-N 3.08Å
162D91Very high79.1Confident27 Ų2747 Ų4714%0.14425%0.253CS..EExtended strand (participates in β ladder)trans-76.3155.4-177.3-64.9-29.1000112.3Y127 T130 P159 Y164 R176Y127-D162 HydrophobicContact CD2-CB 4.29Å; Y127-D162 HydrophobicContact CE2-CB 4.24Å; T130-D162 VanDerWaalsContact CB-OD1 3.31Å; T130-D162 WeakPolarHBondContact CB-OD1 3.46Å; T130-D162 WeakPolarHBondContact CG2-OD1 3.38Å; T130-D162 PolarHBondContact OG1-OD1 2.81Å; P159-D162 WeakPolarHBondContact O-CB 3.34Å; P159-D162 PolarHBondContact O-N 3.3Å; D162-Y164 HydrophobicContact CB-CD2 4.45Å; D162-Y164 HydrophobicContact CB-CE2 3.64Å; D162-R176 PolarHBondContact O-NH1 2.73Å
163F93.4Very high81Confident0 Ų039.9 Ų39.90%022%0.216CC..EExtended strand (participates in β ladder)trans-126.3135.3171.3-81.8-67000109.4A99 H128 H129 E131 V172 W173A99-F163 HydrophobicContact CB-CD1 4.49Å; A99-F163 HydrophobicContact CB-CE1 3.81Å; A99-F163 HydrophobicContact CB-CZ 4.12Å; H128-F163 WeakPolarHBondContact CB-O 3.25Å; H128-F163 PolarHBondContact N-O 3.19Å; H129-F163 AromaticContact CE1-CD2 3.55Å; H129-F163 AromaticContact CE1-CG 3.98Å; H129-F163 PolarHBondContact N-O 3.23Å; H129-F163 AromaticContact NE2-CD2 3.47Å; H129-F163 WeakPolarHBondContact NE2-CD2 3.37Å; H129-F163 WeakPolarHBondContact O-CB 3.38Å; H129-F163 PolarHBondContact O-N 3.12Å; E131-F163 HydrophobicContact CB-CD2 4.25Å; E131-F163 HydrophobicContact CB-CE2 3.98Å; E131-F163 HydrophobicContact CG-CE2 4.4Å; F163-V172 HydrophobicContact CB-CB 4.17Å; F163-V172 HydrophobicContact CB-CG2 4.26Å; F163-V172 HydrophobicContact CD1-CB 4.27Å; F163-V172 HydrophobicContact CD1-CG2 3.81Å; F163-V172 HydrophobicContact CE1-CG2 4.3Å; F163-V172 HydrophobicContact CG-CB 4.47Å; F163-V172 HydrophobicContact CG-CG2 4.07Å; F163-W173 WeakPolarHBondContact CA-O 3.48Å
164Y94.8Very high82.7Confident9 Ų933.8 Ų33.84%0.03518%0.184CC..EExtended strand (participates in β ladder)trans-121.9157.8-176.6-57-95.7000110.3F120 Q121 Q126 Y127 D162 V172 W173F120-Y164 HydrophobicContact CB-CD1 4.1Å; F120-Y164 HydrophobicContact CB-CD2 3.56Å; F120-Y164 HydrophobicContact CB-CE1 4.35Å; F120-Y164 HydrophobicContact CB-CE2 3.81Å; F120-Y164 HydrophobicContact CB-CG 3.71Å; F120-Y164 AromaticContact CD2-CD2 3.92Å; F120-Y164 HydrophobicContact CD2-CD2 3.92Å; F120-Y164 HydrophobicContact CD2-CE2 4.28Å; F120-Y164 AromaticContact CG-CD2 3.96Å; F120-Y164 HydrophobicContact CG-CD2 3.96Å; F120-Y164 HydrophobicContact CG-CE2 4.46Å; F120-Y164 HydrophobicContact CG-CG 4.32Å; F120-Y164 WeakPolarHBondContact O-CD1 3.34Å; Q121-Y164 HydrophobicContact CG-CE1 4.05Å; Q121-Y164 WeakPolarHBondContact CG-OH 3.46Å; Q121-Y164 PolarHBondContact NE2-OH 3.04Å; Q126-Y164 CarbonylContact O-C 3.58Å; Q126-Y164 VanDerWaalsContact O-CA 3.25Å; Q126-Y164 WeakPolarHBondContact O-CA 3.48Å; Y127-Y164 HydrophobicContact CD2-CE1 4.4Å; D162-Y164 HydrophobicContact CB-CD2 4.45Å; D162-Y164 HydrophobicContact CB-CE2 3.64Å; Y164-V172 CarbonylContact O-C 3.46Å; Y164-V172 WeakPolarHBondContact O-CA 3.5Å; Y164-W173 PolarHBondContact N-O 2.86Å; Y164-W173 PolarHBondContact O-N 3.48Å
165S93.9Very high84Confident9 Ų930.5 Ų30.56%0.06317%0.172CC..EExtended strand (participates in β ladder)trans-136.3156.8177.3-176.70000111.5Q126 G167Q126-S165 PolarHBondContact N-O 2.93Å; Q126-S165 PolarHBondContact O-N 3.38Å; S165-G167 PolarHBondContact OG-N 3.07Å; S165-G167 PolarHBondContact OG-O 2.81Å
166L92.7Very high85.5Confident26 Ų2628 Ų2814%0.13615%0.152CC..SBendtrans-89-8.7174.9-69.5165.8000112.7L56 T59 L60 P124 W125 M170L56-L166 HydrophobicContact CD1-CD1 3.53Å; T59-L166 HydrophobicContact CG2-CD2 3.89Å; L60-L166 HydrophobicContact CD2-CD1 4.33Å; P124-L166 HydrophobicContact CB-CD2 4.44Å; P124-L166 HydrophobicContact CG-CD2 3.88Å; W125-L166 HydrophobicContact CD2-CD2 3.56Å; W125-L166 HydrophobicContact CD2-CG 4.12Å; W125-L166 HydrophobicContact CE3-CD2 3.73Å; W125-L166 HydrophobicContact CE3-CG 3.73Å; W125-L166 HydrophobicContact CG-CD2 4.15Å; W125-L166 HydrophobicContact CH2-CD1 3.66Å; W125-L166 HydrophobicContact CH2-CD2 3.97Å; W125-L166 HydrophobicContact CH2-CG 3.75Å; W125-L166 HydrophobicContact CZ2-CD1 4.09Å; W125-L166 HydrophobicContact CZ2-CD2 3.81Å; W125-L166 HydrophobicContact CZ2-CG 4.12Å; W125-L166 HydrophobicContact CZ3-CD1 3.94Å; W125-L166 HydrophobicContact CZ3-CD2 3.93Å; W125-L166 HydrophobicContact CZ3-CG 3.54Å; L166-M170 HydrophobicContact CB-CE 4.2Å; L166-M170 HydrophobicContact CB-CG 4.34Å; L166-M170 HydrophobicContact CD1-CE 4.43Å
167G88.7Confident86.7Confident14 Ų1429 Ų2914%0.14416%0.159CC..SBendtrans166.1174.217800000113.3S165 M170S165-G167 PolarHBondContact OG-N 3.07Å; S165-G167 PolarHBondContact OG-O 2.81Å; G167-M170 WeakPolarHBondContact O-CB 3.48Å; G167-M170 PolarHBondContact O-N 3.1Å
168P86.2Confident87.5Confident84 Ų8427 Ų2755%0.54515%0.149SC..THydrogen-bonded Turntrans-62.9138.4175.729.4-35.7000110.5F83 A85 M170F83-P168 HydrophobicContact CD1-CG 4.41Å; F83-P168 WeakPolarHBondContact CD1-O 3.4Å; F83-P168 HydrophobicContact CE1-CB 4.14Å; F83-P168 HydrophobicContact CE1-CG 4.4Å; F83-P168 WeakPolarHBondContact CE1-O 3.44Å; A85-P168 HydrophobicContact CB-CB 3.88Å; A85-P168 HydrophobicContact CB-CG 4.03Å; P168-M170 PolarHBondContact O-N 2.99Å
169G87.3Confident88.5Confident19 Ų1926.1 Ų26.120%0.19614%0.141CC..THydrogen-bonded Turntrans75.2-9-17700000115.8C247 S249G169-C247 PolarHBondContact O-SG 3.21Å; G169-S249 VanDerWaalsContact O-CB 3.25Å; G169-S249 WeakPolarHBondContact O-CB 3.27Å; G169-S249 PolarHBondContact O-N 3.4Å; G169-S249 PolarHBondContact O-OG 3.3Å
170M92.8Very high89.3Confident23 Ų2329.5 Ų29.511%0.11317%0.165CC..SBendtrans-74151.6172.2-61.2-67-70.300111.1L46 L56 L166 G167 P168 S249L46-M170 HydrophobicContact CB-CE 4.35Å; L56-M170 HydrophobicContact CD1-CE 3.89Å; L56-M170 HydrophobicContact CD2-CE 3.88Å; L166-M170 HydrophobicContact CB-CE 4.2Å; L166-M170 HydrophobicContact CB-CG 4.34Å; L166-M170 HydrophobicContact CD1-CE 4.43Å; G167-M170 WeakPolarHBondContact O-CB 3.48Å; G167-M170 PolarHBondContact O-N 3.1Å; P168-M170 PolarHBondContact O-N 2.99Å; M170-S249 WeakPolarHBondContact SD-CB 3.28Å
171P95.1Very high89.9Confident1 Ų131.9 Ų31.91%0.00619%0.191CC..PPolyproline II helixtrans-64.2155.2173.626.5-33.1000110.9L46 L98 I100 W173 C247 A250L46-P171 HydrophobicContact CD2-CG 3.67Å; L98-P171 HydrophobicContact CB-CB 4.25Å; L98-P171 HydrophobicContact CD2-CB 3.91Å; L98-P171 HydrophobicContact CG-CB 3.85Å; I100-P171 HydrophobicContact CD1-CB 3.9Å; I100-P171 HydrophobicContact CD1-CG 3.75Å; P171-W173 PolarHBondContact O-NE1 2.87Å; P171-C247 VanDerWaalsContact N-SG 3.37Å; P171-A250 HydrophobicContact CG-CB 4.37Å
172V95.6Very high90.1Very high0 Ų027.9 Ų27.90%019%0.187CC..EExtended strand (participates in β ladder)trans-90.7149.7177.2-56.20000111.6P96 L98 A99 I100 H128 F163 Y164P96-V172 HydrophobicContact CB-CG1 4.04Å; P96-V172 HydrophobicContact CB-CG2 4.39Å; P96-V172 HydrophobicContact CG-CG1 4.11Å; P96-V172 HydrophobicContact CG-CG2 4.2Å; L98-V172 PolarHBondContact O-N 3.2Å; L98-V172 VanDerWaalsContact O-N 3.09Å; A99-V172 CarbonylContact C-O 3.54Å; A99-V172 WeakPolarHBondContact CA-O 3.31Å; A99-V172 HydrophobicContact CB-CG2 3.48Å; A99-V172 VanDerWaalsContact CB-CG2 3.48Å; I100-V172 PolarHBondContact N-O 2.84Å; H128-V172 HydrophobicContact CB-CG1 4.33Å; H128-V172 WeakPolarHBondContact CD2-CG1 3.44Å; F163-V172 HydrophobicContact CB-CB 4.17Å; F163-V172 HydrophobicContact CB-CG2 4.26Å; F163-V172 HydrophobicContact CD1-CB 4.27Å; F163-V172 HydrophobicContact CD1-CG2 3.81Å; F163-V172 HydrophobicContact CE1-CG2 4.3Å; F163-V172 HydrophobicContact CG-CB 4.47Å; F163-V172 HydrophobicContact CG-CG2 4.07Å; Y164-V172 CarbonylContact O-C 3.46Å; Y164-V172 WeakPolarHBondContact O-CA 3.5Å
173W96.2Very high90.1Very high0 Ų027.1 Ų27.10%018%0.183CC..EExtended strand (participates in β ladder)trans-128.3135.6-170-62.872.2000110.6L46 L60 L63 F74 I100 F102 F120 W125 F163 Y164 P171L46-W173 HydrophobicContact CD1-CH2 4.35Å; L46-W173 HydrophobicContact CD1-CZ2 3.77Å; L60-W173 HydrophobicContact CD2-CH2 3.52Å; L60-W173 HydrophobicContact CD2-CZ2 3.68Å; L60-W173 HydrophobicContact CD2-CZ3 4.38Å; L63-W173 HydrophobicContact CD2-CE3 3.75Å; L63-W173 HydrophobicContact CD2-CZ3 3.7Å; F74-W173 AromaticContact CD1-CH2 3.96Å; F74-W173 HydrophobicContact CD1-CH2 3.96Å; F74-W173 AromaticContact CE1-CH2 3.76Å; F74-W173 HydrophobicContact CE1-CH2 3.76Å; F74-W173 HydrophobicContact CE1-CZ3 4.24Å; F74-W173 HydrophobicContact CG-CH2 4.49Å; F74-W173 HydrophobicContact CZ-CH2 4.13Å; F74-W173 HydrophobicContact CZ-CZ3 4.17Å; I100-W173 HydrophobicContact CB-CD2 4.05Å; I100-W173 HydrophobicContact CB-CE3 3.9Å; I100-W173 HydrophobicContact CB-CZ3 4.21Å; I100-W173 HydrophobicContact CD1-CD2 3.99Å; I100-W173 HydrophobicContact CD1-CE3 4.25Å; I100-W173 HydrophobicContact CD1-CH2 3.69Å; I100-W173 HydrophobicContact CD1-CZ2 3.38Å; I100-W173 HydrophobicContact CD1-CZ3 4.12Å; I100-W173 HydrophobicContact CG2-CD2 4.3Å; I100-W173 HydrophobicContact CG2-CE3 3.65Å; I100-W173 HydrophobicContact CG2-CH2 4.24Å; I100-W173 HydrophobicContact CG2-CZ3 3.61Å; I100-W173 VanDerWaalsContact O-CA 3.32Å; I100-W173 WeakPolarHBondContact O-CA 3.35Å; F102-W173 AromaticContact CE2-CE3 3.93Å; F102-W173 HydrophobicContact CE2-CE3 3.93Å; F102-W173 AromaticContact CE2-CZ3 3.94Å; F102-W173 HydrophobicContact CE2-CZ3 3.94Å; F102-W173 HydrophobicContact CZ-CZ3 4.29Å; F120-W173 HydrophobicContact CE1-CB 4.08Å; F120-W173 HydrophobicContact CZ-CB 3.94Å; W125-W173 HydrophobicContact CH2-CB 4.23Å; W125-W173 AromaticContact CH2-CD2 3.82Å; W125-W173 HydrophobicContact CH2-CD2 3.82Å; W125-W173 HydrophobicContact CH2-CE3 4.3Å; W125-W173 AromaticContact CH2-CG 3.8Å; W125-W173 HydrophobicContact CH2-CG 3.8Å; W125-W173 HydrophobicContact CZ3-CB 3.72Å; W125-W173 AromaticContact CZ3-CD1 3.52Å; W125-W173 HydrophobicContact CZ3-CD2 4.02Å; W125-W173 AromaticContact CZ3-CG 3.48Å; W125-W173 HydrophobicContact CZ3-CG 3.48Å; W125-W173 VanDerWaalsContact CZ3-CG 3.48Å; F163-W173 WeakPolarHBondContact CA-O 3.48Å; Y164-W173 PolarHBondContact N-O 2.86Å; Y164-W173 PolarHBondContact O-N 3.48Å; P171-W173 PolarHBondContact O-NE1 2.87Å
174G93.8Very high90.1Very high0 Ų028.8 Ų28.80%019%0.191CC..EExtended strand (participates in β ladder)trans-143.6159.3-179.100000112.4I100 T101 F102I100-G174 PolarHBondContact O-N 3.48Å; T101-G174 WeakPolarHBondContact CA-O 3.24Å; F102-G174 PolarHBondContact N-O 2.89Å
175V92.7Very high90.1Very high2 Ų228.4 Ų28.41%0.01219%0.19CC..EExtended strand (participates in β ladder)trans-131.5129.9173.3610000109.4F102 L104 I113 V116 L117 F120 S160F102-V175 HydrophobicContact CB-CG2 4.38Å; F102-V175 CarbonylContact O-C 3.52Å; F102-V175 WeakPolarHBondContact O-CA 3.38Å; L104-V175 HydrophobicContact CD1-CG2 3.52Å; L104-V175 HydrophobicContact CG-CG2 3.93Å; I113-V175 HydrophobicContact CG2-CG2 4.16Å; V116-V175 HydrophobicContact CG1-CB 4.03Å; V116-V175 HydrophobicContact CG1-CG1 3.99Å; V116-V175 HydrophobicContact CG1-CG2 4.24Å; L117-V175 HydrophobicContact CD2-CG1 3.41Å; L117-V175 VanDerWaalsContact CD2-CG1 3.41Å; L117-V175 HydrophobicContact CG-CG1 3.64Å; F120-V175 HydrophobicContact CD2-CG1 4.28Å; F120-V175 HydrophobicContact CE2-CB 4.21Å; F120-V175 HydrophobicContact CE2-CG1 4.11Å; S160-V175 WeakPolarHBondContact CA-O 3.3Å; S160-V175 VanDerWaalsContact O-O 3.12Å
176R90.7Very high90.2Very high24 Ų2429.9 Ų29.99%0.09119%0.194CC..EExtended strand (participates in β ladder)trans-120.4128.5-177.5-52.5-57.9-171-1172.4108.4T101 F102 F103 L104 E131 S160 D162T101-R176 HydrophobicContact CG2-CG 3.52Å; F102-R176 PolarHBondContact O-N 3.02Å; F103-R176 CarbonylContact C-O 3.57Å; F103-R176 WeakPolarHBondContact CA-O 3.47Å; F103-R176 HydrophobicContact CD1-CB 3.69Å; F103-R176 HydrophobicContact CD1-CG 4.11Å; F103-R176 HydrophobicContact CE1-CB 3.83Å; F103-R176 HydrophobicContact CE1-CG 3.76Å; F103-R176 HydrophobicContact CG-CB 4.36Å; F103-R176 HydrophobicContact CZ-CG 4.11Å; L104-R176 PolarHBondContact N-O 2.76Å; E131-R176 IonicContact OE2-CZ 3.73Å; E131-R176 IonicContact OE2-NE 3.73Å; E131-R176 IonicContact OE2-NH2 2.77Å; E131-R176 PolarHBondContact OE2-NH2 3.42Å; S160-R176 WeakPolarHBondContact O-CD 3.33Å; S160-R176 PolarHBondContact O-NE 3.02Å; S160-R176 PolarHBondContact O-NH1 3.06Å; D162-R176 PolarHBondContact O-NH1 2.73Å
177P89.7Confident90.4Very high21 Ų2128.7 Ų28.714%0.13619%0.187CC..EExtended strand (participates in β ladder)trans-71.4145.5168.231.8-34.9000109.9L104 E106 I113 Y156 L157 S160L104-P177 CarbonylContact O-C 3.56Å; L104-P177 WeakPolarHBondContact O-CA 3.22Å; E106-P177 HydrophobicContact CG-CB 4.04Å; I113-P177 HydrophobicContact CD1-CB 3.96Å; Y156-P177 HydrophobicContact CD2-CB 4.09Å; Y156-P177 HydrophobicContact CD2-CG 3.95Å; Y156-P177 HydrophobicContact CE2-CB 3.83Å; Y156-P177 HydrophobicContact CE2-CG 3.98Å; L157-P177 HydrophobicContact CD2-CG 4.12Å; S160-P177 VanDerWaalsContact CB-CD 3.4Å
178V87Confident90.8Very high19 Ų1928.4 Ų28.412%0.11518%0.183CC..EExtended strand (participates in β ladder)trans-128.3144.2168.1-62.20000111F103 L104 H105 E106F103-V178 HydrophobicContact CB-CG1 3.97Å; F103-V178 HydrophobicContact CD1-CG1 3.86Å; F103-V178 HydrophobicContact CG-CG1 4.42Å; L104-V178 PolarHBondContact O-N 3.39Å; H105-V178 WeakPolarHBondContact CA-O 3.45Å; H105-V178 HydrophobicContact CB-CG2 3.98Å; E106-V178 PolarHBondContact N-O 3.5Å
179H82.3Confident91.3Very high109 Ų10924.6 Ų24.651%0.50516%0.158SC..SBendtrans-98.1-8.7-178.7-50.8-51.8000113.3H105 E106 R154H105-H179 PolarHBondContact NE2-O 2.94Å; E106-H179 VanDerWaalsContact CD-CE1 3.42Å; E106-H179 IonicContact OE1-CE1 3.86Å; E106-H179 PolarHBondContact OE1-CE1 3.22Å; E106-H179 IonicContact OE1-ND1 2.67Å; E106-H179 PolarHBondContact OE1-ND1 3.07Å; E106-H179 IonicContact OE2-CE1 2.67Å; E106-H179 PolarHBondContact OE2-CE1 3.04Å; E106-H179 VanDerWaalsContact OE2-CE1 3.25Å; E106-H179 IonicContact OE2-CG 2.69Å; E106-H179 IonicContact OE2-ND1 3.13Å; E106-H179 PolarHBondContact OE2-ND1 3.48Å; R154-H179 PolarHBondContact NH1-CE1 2.69Å; R154-H179 VanDerWaalsContact NH1-CE1 3.28Å; R154-H179 PolarHBondContact NH2-CE1 2.86Å
180C77.9Confident91.6Very high101 Ų10124 Ų2468%0.68215%0.15SC*.SBendtrans-153165-177.860.40000111H105H105-C180 WeakPolarHBondContact NE2-CA 3.49Å; H105-C180 PolarHBondContact NE2-N 3.33Å
181G83.6Confident91.7Very high61 Ų6123 Ų2363%0.62915%0.145SC*.SBendtrans84.8-167.1-177.500000113.7H105H105-G181 PolarHBondContact CD2-O 2.67Å; H105-G181 VanDerWaalsContact CD2-O 3.32Å
182G86.4Confident91.6Very high36 Ų3624 Ų2437%0.37115%0.152SC..  trans-91172.1168.300000111.4
183E91.6Very high91.4Very high12 Ų1229.2 Ų29.26%0.05617%0.173CC..EExtended strand (participates in β ladder)trans-72.1149.5168.5-53.9-153.8129.300110.4F103 L104 H105 Y108 R112 G228 L229 C230F103-E183 CarbonylContact O-C 3.58Å; F103-E183 VanDerWaalsContact O-CA 3.28Å; F103-E183 WeakPolarHBondContact O-CA 3.29Å; F103-E183 WeakPolarHBondContact O-CB 3.29Å; L104-E183 WeakPolarHBondContact CA-OE1 3.48Å; H105-E183 HydrophobicContact CB-CG 4.03Å; H105-E183 PolarHBondContact N-OE1 3.26Å; Y108-E183 HydrophobicContact CD2-CG 3.9Å; Y108-E183 HydrophobicContact CE2-CG 3.99Å; R112-E183 IonicContact CZ-OE1 3.85Å; R112-E183 IonicContact CZ-OE2 2.86Å; R112-E183 VanDerWaalsContact CZ-OE2 3.29Å; R112-E183 IonicContact NH1-OE1 3.77Å; R112-E183 PolarHBondContact NH1-OE1 2.97Å; R112-E183 IonicContact NH1-OE2 3.23Å; R112-E183 PolarHBondContact NH1-OE2 2.81Å; R112-E183 IonicContact NH2-OE1 2.82Å; R112-E183 IonicContact NH2-OE2 3.12Å; R112-E183 PolarHBondContact NH2-OE2 3.32Å; E183-G228 WeakPolarHBondContact CB-O 3.32Å; E183-G228 PolarHBondContact N-O 3.28Å; E183-L229 HydrophobicContact CB-CD1 3.9Å; E183-L229 CarbonylContact O-C 3.52Å; E183-L229 WeakPolarHBondContact O-CA 3.4Å; E183-C230 PolarHBondContact O-N 3.11Å
184I93.3Very high91.2Very high35 Ų3535.6 Ų35.618%0.17921%0.207CC..EExtended strand (participates in β ladder)trans-134.8123.5-178.7-44.4179.5000109.9F103 R186 C230 Q232F103-I184 HydrophobicContact CB-CB 4Å; F103-I184 HydrophobicContact CB-CG1 4.43Å; F103-I184 HydrophobicContact CD2-CB 4.16Å; F103-I184 HydrophobicContact CG-CB 4.4Å; F103-I184 PolarHBondContact N-O 2.98Å; F103-I184 PolarHBondContact O-N 3.21Å; I184-R186 HydrophobicContact CG2-CB 4.31Å; I184-C230 CarbonylContact C-O 3.54Å; I184-C230 WeakPolarHBondContact CA-O 3.5Å; I184-C230 HydrophobicContact CG1-CB 4.33Å; I184-C230 HydrophobicContact CG2-CB 4.32Å; I184-Q232 HydrophobicContact CG2-CB 4.14Å; I184-Q232 HydrophobicContact CG2-CG 3.81Å
185L94.3Very high91.2Very high0 Ų037.6 Ų37.60%022%0.218CC..EExtended strand (participates in β ladder)trans-88.8109.8157.8168.350.6000107.8L71 I73 F74 I100 F102 C230 L231 Q232L71-L185 HydrophobicContact CD1-CD2 4.29Å; I73-L185 HydrophobicContact CD1-CD2 3.42Å; I73-L185 VanDerWaalsContact CD1-CD2 3.42Å; I73-L185 HydrophobicContact CD1-CG 4.43Å; F74-L185 HydrophobicContact CE2-CD2 3.76Å; F74-L185 HydrophobicContact CZ-CD1 4.14Å; F74-L185 HydrophobicContact CZ-CD2 3.99Å; I100-L185 HydrophobicContact CG2-CD1 3.81Å; F102-L185 HydrophobicContact CD1-CB 4.36Å; F102-L185 HydrophobicContact CD1-CD1 4Å; F102-L185 HydrophobicContact CE1-CB 4.37Å; F102-L185 HydrophobicContact CE1-CD1 3.68Å; F102-L185 HydrophobicContact CE1-CD2 4.08Å; F102-L185 HydrophobicContact CE1-CG 4.25Å; F102-L185 HydrophobicContact CE2-CD1 4.44Å; F102-L185 HydrophobicContact CZ-CD1 3.92Å; L185-C230 PolarHBondContact N-O 3.25Å; L185-L231 HydrophobicContact CB-CD1 4.41Å; L185-L231 HydrophobicContact CD2-CD1 4.23Å; L185-L231 HydrophobicContact CG-CD1 3.95Å; L185-L231 WeakPolarHBondContact O-CA 3.33Å; L185-Q232 PolarHBondContact O-N 3.03Å
186R95.8Very high91.3Very high41 Ų4137.7 Ų37.716%0.15522%0.218CC..EExtended strand (participates in β ladder)trans-109.5118.1178.5-171177.6-71156.10.8110.7T101 F103 I184 Q232 A234T101-R186 PolarHBondContact N-O 3.16Å; T101-R186 PolarHBondContact O-N 3.1Å; F103-R186 HydrophobicContact CD2-CB 4.21Å; F103-R186 HydrophobicContact CE2-CB 3.84Å; I184-R186 HydrophobicContact CG2-CB 4.31Å; R186-Q232 WeakPolarHBondContact CA-O 3.48Å; R186-Q232 HydrophobicContact CB-CB 4.42Å; R186-Q232 HydrophobicContact CG-CB 4.15Å; R186-Q232 VanDerWaalsContact CZ-OE1 3.3Å; R186-A234 HydrophobicContact CG-CB 3.82Å
187I96.8Very high91.5Very high0 Ų041.8 Ų41.80%024%0.238CC..EExtended strand (participates in β ladder)trans-84.3118.3162.6-57.1176.8000105.9I73 L98 Q232 L233 A234 L252I73-I187 HydrophobicContact CG2-CD1 4.24Å; L98-I187 HydrophobicContact CD1-CG2 3.54Å; I187-Q232 PolarHBondContact N-O 2.86Å; I187-L233 HydrophobicContact CB-CD1 3.94Å; I187-L233 HydrophobicContact CG2-CD1 3.75Å; I187-L233 CarbonylContact O-C 3.44Å; I187-L233 WeakPolarHBondContact O-CA 3.44Å; I187-A234 PolarHBondContact O-N 3.24Å; I187-L252 HydrophobicContact CG2-CD2 4.39Å
188T97Very high91.7Very high8 Ų844 Ų445%0.04925%0.248CC..EExtended strand (participates in β ladder)trans-112122-178-53.80000109.8A99 Y190 A234 K236A99-T188 PolarHBondContact N-O 3.44Å; A99-T188 PolarHBondContact O-N 2.93Å; T188-Y190 HydrophobicContact CG2-CD2 4.17Å; T188-Y190 HydrophobicContact CG2-CE1 4.48Å; T188-Y190 HydrophobicContact CG2-CE2 3.71Å; T188-A234 CarbonylContact C-O 3.58Å; T188-A234 WeakPolarHBondContact CA-O 3.49Å; T188-K236 HydrophobicContact CG2-CB 4.05Å
189L96.6Very high92.1Very high4 Ų443.1 Ų43.12%0.02124%0.244CC..EExtended strand (participates in β ladder)trans-96.2125.5170.6-71.4167000110S97 L98 Y203 L233 A234 L235 K236 L252S97-L189 CarbonylContact O-C 3.47Å; S97-L189 VanDerWaalsContact O-CA 3.29Å; S97-L189 WeakPolarHBondContact O-CA 3.2Å; L98-L189 HydrophobicContact CD1-CD2 3.83Å; L98-L189 HydrophobicContact CD1-CG 4.4Å; L189-Y203 HydrophobicContact CD1-CD2 4.15Å; L189-Y203 HydrophobicContact CD1-CE1 4.03Å; L189-Y203 HydrophobicContact CD1-CE2 3.45Å; L189-Y203 VanDerWaalsContact CD1-CE2 3.45Å; L189-Y203 WeakPolarHBondContact CD1-OH 3.43Å; L189-L233 HydrophobicContact CD1-CD1 3.88Å; L189-L233 HydrophobicContact CD1-CG 4.47Å; L189-L233 HydrophobicContact CG-CD1 4.28Å; L189-A234 PolarHBondContact N-O 3.07Å; L189-L235 HydrophobicContact CB-CG 4.36Å; L189-L235 CarbonylContact O-C 3.51Å; L189-L235 WeakPolarHBondContact O-CA 3.42Å; L189-K236 PolarHBondContact O-N 3.19Å; L189-L252 HydrophobicContact CD1-CD1 4.17Å; L189-L252 HydrophobicContact CD2-CD1 4.07Å
190Y95.1Very high92.7Very high6 Ų638.6 Ų38.62%0.02422%0.224CC..EExtended strand (participates in β ladder)trans-99.2108.2175.9-65.4-97000108.7Y95 P96 S97 A99 T188 K236 L238 V244Y95-Y190 AromaticContact CD1-CD1 3.94Å; Y95-Y190 HydrophobicContact CD1-CD1 3.94Å; Y95-Y190 HydrophobicContact CD1-CD2 4.47Å; Y95-Y190 HydrophobicContact CD1-CE1 4.42Å; Y95-Y190 AromaticContact CD1-CG 3.93Å; Y95-Y190 HydrophobicContact CD1-CG 3.93Å; Y95-Y190 AromaticContact CE1-CD1 3.36Å; Y95-Y190 HydrophobicContact CE1-CD1 3.36Å; Y95-Y190 AromaticContact CE1-CD2 3.9Å; Y95-Y190 HydrophobicContact CE1-CD2 3.9Å; Y95-Y190 AromaticContact CE1-CE1 3.41Å; Y95-Y190 HydrophobicContact CE1-CE1 3.41Å; Y95-Y190 VanDerWaalsContact CE1-CE1 3.41Å; Y95-Y190 HydrophobicContact CE1-CE2 4.01Å; Y95-Y190 AromaticContact CE1-CG 3.57Å; Y95-Y190 HydrophobicContact CE1-CG 3.57Å; Y95-Y190 AromaticContact CE1-CZ 3.75Å; Y95-Y190 AromaticContact CZ-CE1 3.9Å; P96-Y190 VanDerWaalsContact O-CD2 3.3Å; P96-Y190 WeakPolarHBondContact O-CD2 3.35Å; S97-Y190 PolarHBondContact O-N 3.31Å; A99-Y190 HydrophobicContact CB-CE2 3.68Å; T188-Y190 HydrophobicContact CG2-CD2 4.17Å; T188-Y190 HydrophobicContact CG2-CE1 4.48Å; T188-Y190 HydrophobicContact CG2-CE2 3.71Å; Y190-K236 WeakPolarHBondContact CA-O 3.37Å; Y190-K236 HydrophobicContact CD1-CB 4.06Å; Y190-K236 HydrophobicContact CD1-CD 4.05Å; Y190-K236 HydrophobicContact CD1-CG 4.02Å; Y190-K236 HydrophobicContact CE1-CB 4.31Å; Y190-K236 HydrophobicContact CE1-CD 3.55Å; Y190-K236 HydrophobicContact CE1-CG 4.06Å; Y190-L238 HydrophobicContact CD1-CD2 3.7Å; Y190-L238 HydrophobicContact CG-CD2 4.35Å; Y190-V244 WeakPolarHBondContact O-CG2 3.48Å
191S94.3Very high93.6Very high2 Ų239.5 Ų39.51%0.01421%0.213CC..EExtended strand (participates in β ladder)trans-97.7146179.3-173.50000110.5N195 Y196 K236 L238 D284S191-N195 WeakPolarHBondContact OG-CB 3.44Å; S191-Y196 PolarHBondContact OG-N 3.2Å; S191-K236 PolarHBondContact N-O 2.97Å; S191-K236 VanDerWaalsContact N-O 3.07Å; S191-L238 PolarHBondContact O-N 3.16Å; S191-D284 VanDerWaalsContact CA-OD2 3.28Å; S191-D284 WeakPolarHBondContact CA-OD2 3.23Å; S191-D284 VanDerWaalsContact CB-OD2 3.25Å; S191-D284 WeakPolarHBondContact CB-OD2 3.44Å; S191-D284 PolarHBondContact OG-OD2 3.46Å
192S92.8Very high94.1Very high22 Ų2236.9 Ų36.915%0.15418%0.184CC..  trans-64.3152.5176.567.80000110.9N194 N195 Y196 D284S192-N194 PolarHBondContact O-N 3.41Å; S192-N195 PolarHBondContact O-N 3.32Å; S192-N195 WeakPolarHBondContact OG-CB 3.45Å; S192-N195 PolarHBondContact OG-ND2 3.34Å; S192-N195 VanDerWaalsContact OG-ND2 3.1Å; S192-Y196 PolarHBondContact O-N 3.42Å; S192-D284 WeakPolarHBondContact CB-OD1 3.49Å; S192-D284 PolarHBondContact N-OD1 3.28Å; S192-D284 PolarHBondContact OG-OD1 2.8Å; S192-D284 VanDerWaalsContact OG-OD1 3.06Å
193Y92.5Very high94.5Very high111 Ų11135.2 Ų35.244%0.43517%0.167SC..THydrogen-bonded Turntrans-50.4-37.7-173.9-177.5-96.7000113.6Q237 L238 P240Y193-Q237 HydrophobicContact CD2-CG 4Å; Y193-Q237 PolarHBondContact O-NE2 3.04Å; Y193-L238 WeakPolarHBondContact CB-O 3.48Å; Y193-P240 HydrophobicContact CD1-CB 4.44Å; Y193-P240 HydrophobicContact CD1-CG 4.04Å; Y193-P240 HydrophobicContact CD2-CG 3.63Å; Y193-P240 HydrophobicContact CE1-CG 4.17Å; Y193-P240 HydrophobicContact CE2-CG 3.76Å; Y193-P240 HydrophobicContact CG-CB 4.3Å; Y193-P240 HydrophobicContact CG-CG 3.78Å
194N91.9Very high94.7Very high133 Ų13336.3 Ų36.371%0.71117%0.171SC*.THydrogen-bonded Turntrans-80-30.1-177.8-57.3-20000113.4S192S192-N194 PolarHBondContact O-N 3.41Å
195N92.4Very high94.7Very high43 Ų4336.7 Ų36.723%0.2318%0.175CC..THydrogen-bonded Turntrans-87.9-20.8-173-71.1-5.8000113S191 S192 E197 D198 A199 L283 D284S191-N195 WeakPolarHBondContact OG-CB 3.44Å; S192-N195 PolarHBondContact O-N 3.32Å; S192-N195 WeakPolarHBondContact OG-CB 3.45Å; S192-N195 PolarHBondContact OG-ND2 3.34Å; S192-N195 VanDerWaalsContact OG-ND2 3.1Å; N195-E197 PolarHBondContact O-N 2.78Å; N195-D198 PolarHBondContact O-N 3.12Å; N195-A199 WeakPolarHBondContact O-CB 3.15Å; N195-A199 PolarHBondContact O-N 3.1Å; N195-L283 HydrophobicContact CB-CB 4.19Å; N195-L283 PolarHBondContact ND2-O 3.31Å; N195-D284 PolarHBondContact ND2-OD1 3.22Å
196Y94.7Very high94.6Very high3 Ų337 Ų371%0.01218%0.177CC..Hα-helixtrans-49.6-47.5-168.1179.9-95.1000114.7S191 S192 D198 A199 V200 F218 S219 L235 Q237S191-Y196 PolarHBondContact OG-N 3.2Å; S192-Y196 PolarHBondContact O-N 3.42Å; Y196-D198 VanDerWaalsContact C-N 3.32Å; Y196-D198 PolarHBondContact O-N 2.93Å; Y196-A199 PolarHBondContact O-N 2.9Å; Y196-V200 HydrophobicContact CD1-CG2 4.29Å; Y196-V200 HydrophobicContact CE1-CG2 3.8Å; Y196-V200 HydrophobicContact CE2-CG2 4.16Å; Y196-V200 WeakPolarHBondContact O-CG2 3.41Å; Y196-V200 PolarHBondContact O-N 2.96Å; Y196-F218 WeakPolarHBondContact OH-CA 3.38Å; Y196-F218 PolarHBondContact OH-N 3.48Å; Y196-F218 VanDerWaalsContact OH-N 3.16Å; Y196-S219 PolarHBondContact OH-N 3.29Å; Y196-S219 PolarHBondContact OH-OG 2.99Å; Y196-L235 HydrophobicContact CE2-CB 3.86Å; Y196-Q237 HydrophobicContact CD1-CB 4.37Å; Y196-Q237 HydrophobicContact CD2-CB 3.53Å; Y196-Q237 HydrophobicContact CD2-CG 4.17Å; Y196-Q237 HydrophobicContact CE2-CB 3.98Å; Y196-Q237 HydrophobicContact CG-CB 3.75Å; Y196-Q237 HydrophobicContact CG-CG 3.92Å
197E94.7Very high94.5Very high110 Ų11036.5 Ų36.551%0.51418%0.178SC..Hα-helixtrans-65.3-34.7-178.4-62.7-58.1142.900112.8N195 R201N195-E197 PolarHBondContact O-N 2.78Å; E197-R201 VanDerWaalsContact C-NH2 3.27Å; E197-R201 VanDerWaalsContact O-CZ 3.3Å; E197-R201 PolarHBondContact O-N 2.89Å; E197-R201 PolarHBondContact O-NE 3.43Å; E197-R201 PolarHBondContact O-NH2 2.89Å
198D95Very high94.2Very high67 Ų6742.5 Ų42.536%0.35821%0.206SC..Hα-helixtrans-79-32.3175.1-68.4-74.4000111.2N195 Y196 R201 F202 L283N195-D198 PolarHBondContact O-N 3.12Å; Y196-D198 VanDerWaalsContact C-N 3.32Å; Y196-D198 PolarHBondContact O-N 2.93Å; D198-R201 PolarHBondContact O-N 3.41Å; D198-R201 IonicContact OD1-CZ 3.71Å; D198-R201 IonicContact OD1-NH1 2.98Å; D198-R201 PolarHBondContact OD1-NH1 3.25Å; D198-R201 IonicContact OD1-NH2 2.71Å; D198-R201 PolarHBondContact OD1-NH2 3.29Å; D198-R201 IonicContact OD2-NH2 3.29Å; D198-R201 PolarHBondContact OD2-NH2 2.83Å; D198-F202 WeakPolarHBondContact O-CB 3.36Å; D198-F202 PolarHBondContact O-N 2.69Å; D198-L283 HydrophobicContact CB-CD1 4.18Å; D198-L283 HydrophobicContact CB-CD2 3.56Å
199A95Very high94Very high2 Ų248 Ų482%0.01723%0.226CC..Hα-helixtrans-68.4-40.6175.500000112.1N195 Y196 F202 Y203 L235 L283N195-A199 WeakPolarHBondContact O-CB 3.15Å; N195-A199 PolarHBondContact O-N 3.1Å; Y196-A199 PolarHBondContact O-N 2.9Å; A199-F202 WeakPolarHBondContact O-CB 3.21Å; A199-F202 PolarHBondContact O-N 3.1Å; A199-Y203 VanDerWaalsContact O-CD2 3.25Å; A199-Y203 WeakPolarHBondContact O-CD2 3.4Å; A199-Y203 PolarHBondContact O-N 2.98Å; A199-Y203 VanDerWaalsContact O-N 3.09Å; A199-L235 HydrophobicContact CB-CD2 3.7Å; A199-L283 HydrophobicContact CB-CD1 4.33Å
200V95.6Very high93.8Very high14 Ų1454.5 Ų54.59%0.08526%0.256CS..Hα-helixtrans-58.4-53.9171172.20000109.3Y196 F202 Y203 E204 A211 L235Y196-V200 HydrophobicContact CD1-CG2 4.29Å; Y196-V200 HydrophobicContact CE1-CG2 3.8Å; Y196-V200 HydrophobicContact CE2-CG2 4.16Å; Y196-V200 WeakPolarHBondContact O-CG2 3.41Å; Y196-V200 PolarHBondContact O-N 2.96Å; V200-F202 VanDerWaalsContact C-N 3.28Å; V200-F202 PolarHBondContact O-N 2.88Å; V200-Y203 PolarHBondContact O-N 2.79Å; V200-Y203 VanDerWaalsContact O-N 3.11Å; V200-E204 HydrophobicContact CG1-CG 4.12Å; V200-E204 WeakPolarHBondContact O-CG 3.37Å; V200-E204 PolarHBondContact O-N 2.79Å; V200-A211 HydrophobicContact CG1-CB 4.04Å; V200-L235 HydrophobicContact CG2-CB 4.42Å; V200-L235 HydrophobicContact CG2-CD2 3.94Å
201R95.2Very high93.8Very high119 Ų11955.4 Ų55.445%0.44927%0.265SS..Hα-helixtrans-58.9-34.3178.8-77.2177.5-80.4122.6-2.8113.7E197 D198 T205E197-R201 VanDerWaalsContact C-NH2 3.27Å; E197-R201 VanDerWaalsContact O-CZ 3.3Å; E197-R201 PolarHBondContact O-N 2.89Å; E197-R201 PolarHBondContact O-NE 3.43Å; E197-R201 PolarHBondContact O-NH2 2.89Å; D198-R201 PolarHBondContact O-N 3.41Å; D198-R201 IonicContact OD1-CZ 3.71Å; D198-R201 IonicContact OD1-NH1 2.98Å; D198-R201 PolarHBondContact OD1-NH1 3.25Å; D198-R201 IonicContact OD1-NH2 2.71Å; D198-R201 PolarHBondContact OD1-NH2 3.29Å; D198-R201 IonicContact OD2-NH2 3.29Å; D198-R201 PolarHBondContact OD2-NH2 2.83Å; R201-T205 WeakPolarHBondContact O-CB 3.36Å; R201-T205 PolarHBondContact O-N 2.83Å; R201-T205 PolarHBondContact O-OG1 2.87Å
202F95.1Very high93.8Very high7 Ų758.4 Ų58.43%0.03128%0.278CS..Hα-helixtrans-60.8-53.6172174-91.2000111.4D198 A199 V200 E204 T205 V206 L266 P267 T280 D282 L283 V288D198-F202 WeakPolarHBondContact O-CB 3.36Å; D198-F202 PolarHBondContact O-N 2.69Å; A199-F202 WeakPolarHBondContact O-CB 3.21Å; A199-F202 PolarHBondContact O-N 3.1Å; V200-F202 VanDerWaalsContact C-N 3.28Å; V200-F202 PolarHBondContact O-N 2.88Å; F202-E204 PolarHBondContact O-N 2.88Å; F202-T205 WeakPolarHBondContact O-CB 3.38Å; F202-T205 PolarHBondContact O-N 2.79Å; F202-V206 HydrophobicContact CD1-CG2 4.41Å; F202-V206 HydrophobicContact CE1-CG2 4.16Å; F202-V206 HydrophobicContact CZ-CG2 4.26Å; F202-V206 WeakPolarHBondContact O-CG2 3.38Å; F202-V206 PolarHBondContact O-N 2.84Å; F202-L266 HydrophobicContact CD2-CD2 3.71Å; F202-L266 HydrophobicContact CE2-CD2 3.67Å; F202-P267 HydrophobicContact CD2-CG 4.03Å; F202-P267 HydrophobicContact CE2-CG 4.46Å; F202-T280 HydrophobicContact CZ-CG2 4.31Å; F202-D282 HydrophobicContact CD1-CB 4.31Å; F202-D282 HydrophobicContact CE1-CB 3.88Å; F202-D282 HydrophobicContact CZ-CB 4.15Å; F202-L283 HydrophobicContact CB-CD1 4.06Å; F202-L283 HydrophobicContact CG-CD1 4.48Å; F202-V288 HydrophobicContact CE1-CG2 4.22Å; F202-V288 HydrophobicContact CZ-CG1 4.46Å; F202-V288 HydrophobicContact CZ-CG2 4.2Å
203Y95.5Very high93.5Very high1 Ų163.1 Ų63.10%0.00430%0.298CS..Hα-helixtrans-71.1-30.4-179.3-73.5-69.4000113.2L189 A199 V200 T205 V206 L207 L233 L235 L252 F254 D282L189-Y203 HydrophobicContact CD1-CD2 4.15Å; L189-Y203 HydrophobicContact CD1-CE1 4.03Å; L189-Y203 HydrophobicContact CD1-CE2 3.45Å; L189-Y203 VanDerWaalsContact CD1-CE2 3.45Å; L189-Y203 WeakPolarHBondContact CD1-OH 3.43Å; A199-Y203 VanDerWaalsContact O-CD2 3.25Å; A199-Y203 WeakPolarHBondContact O-CD2 3.4Å; A199-Y203 PolarHBondContact O-N 2.98Å; A199-Y203 VanDerWaalsContact O-N 3.09Å; V200-Y203 PolarHBondContact O-N 2.79Å; V200-Y203 VanDerWaalsContact O-N 3.11Å; Y203-T205 VanDerWaalsContact C-N 3.32Å; Y203-T205 PolarHBondContact O-N 2.78Å; Y203-V206 PolarHBondContact O-N 3.2Å; Y203-L207 VanDerWaalsContact O-CB 3.24Å; Y203-L207 WeakPolarHBondContact O-CB 3.34Å; Y203-L207 WeakPolarHBondContact O-CG 3.42Å; Y203-L207 PolarHBondContact O-N 3.02Å; Y203-L233 HydrophobicContact CD1-CD2 3.95Å; Y203-L233 HydrophobicContact CE1-CD2 4.43Å; Y203-L233 HydrophobicContact CG-CD2 4.35Å; Y203-L235 HydrophobicContact CD2-CD1 3.96Å; Y203-L235 HydrophobicContact CD2-CD2 4.03Å; Y203-L235 HydrophobicContact CD2-CG 4.39Å; Y203-L235 HydrophobicContact CG-CD1 4.37Å; Y203-L252 HydrophobicContact CE1-CD1 4.47Å; Y203-F254 HydrophobicContact CD1-CE1 4.36Å; Y203-F254 HydrophobicContact CD1-CE2 4.35Å; Y203-F254 AromaticContact CD1-CZ 3.74Å; Y203-F254 HydrophobicContact CD1-CZ 3.74Å; Y203-F254 AromaticContact CE1-CE2 3.85Å; Y203-F254 HydrophobicContact CE1-CE2 3.85Å; Y203-F254 AromaticContact CE1-CZ 3.53Å; Y203-F254 HydrophobicContact CE1-CZ 3.53Å; Y203-D282 HydrophobicContact CE2-CB 4.45Å; Y203-D282 PolarHBondContact OH-OD2 2.89Å; Y203-D282 VanDerWaalsContact OH-OD2 3.06Å
204E95.1Very high92.7Very high34 Ų3463 Ų6316%0.15930%0.301CS..Hα-helixtrans-60.5-42.5169.6-70.9-168.6141.400112V200 F202 Q208 R209 Q210 A211 F221V200-E204 HydrophobicContact CG1-CG 4.12Å; V200-E204 WeakPolarHBondContact O-CG 3.37Å; V200-E204 PolarHBondContact O-N 2.79Å; F202-E204 PolarHBondContact O-N 2.88Å; E204-Q208 VanDerWaalsContact O-CA 3.31Å; E204-Q208 WeakPolarHBondContact O-CA 3.34Å; E204-Q208 PolarHBondContact O-N 2.61Å; E204-R209 WeakPolarHBondContact CA-O 3.48Å; E204-R209 WeakPolarHBondContact CB-O 3.3Å; E204-R209 WeakPolarHBondContact CG-O 3.19Å; E204-R209 PolarHBondContact O-N 2.97Å; E204-Q210 VanDerWaalsContact OE1-CA 3.31Å; E204-Q210 WeakPolarHBondContact OE1-CA 3.32Å; E204-Q210 PolarHBondContact OE1-NE2 2.96Å; E204-Q210 PolarHBondContact OE2-NE2 2.78Å; E204-A211 HydrophobicContact CG-CB 4.25Å; E204-A211 PolarHBondContact OE1-N 2.79Å; E204-F221 HydrophobicContact CG-CE1 3.84Å; E204-F221 HydrophobicContact CG-CZ 3.82Å
205T93.5Very high92.4Very high43 Ų4362.7 Ų62.726%0.26429%0.294SS..Hα-helixtrans-67-46.3177.8-58.50000111.2R201 F202 Y203 Q208 L262 L265R201-T205 WeakPolarHBondContact O-CB 3.36Å; R201-T205 PolarHBondContact O-N 2.83Å; R201-T205 PolarHBondContact O-OG1 2.87Å; F202-T205 WeakPolarHBondContact O-CB 3.38Å; F202-T205 PolarHBondContact O-N 2.79Å; Y203-T205 VanDerWaalsContact C-N 3.32Å; Y203-T205 PolarHBondContact O-N 2.78Å; T205-Q208 PolarHBondContact O-N 3.18Å; T205-L262 HydrophobicContact CG2-CD2 4.06Å; T205-L262 WeakPolarHBondContact O-CD2 3.36Å; T205-L265 HydrophobicContact CG2-CB 3.86Å; T205-L265 HydrophobicContact CG2-CD1 3.89Å
206V93Very high92.1Very high7 Ų764.9 Ų64.94%0.04232%0.318CS..Hα-helixtrans-64.3-39.9178.9167.10000112.4F202 Y203 F254 L266 F290F202-V206 HydrophobicContact CD1-CG2 4.41Å; F202-V206 HydrophobicContact CE1-CG2 4.16Å; F202-V206 HydrophobicContact CZ-CG2 4.26Å; F202-V206 WeakPolarHBondContact O-CG2 3.38Å; F202-V206 PolarHBondContact O-N 2.84Å; Y203-V206 PolarHBondContact O-N 3.2Å; V206-F254 HydrophobicContact CG1-CB 3.79Å; V206-F254 HydrophobicContact CG1-CD1 3.72Å; V206-F254 HydrophobicContact CG1-CD2 3.71Å; V206-F254 HydrophobicContact CG1-CE1 4.19Å; V206-F254 HydrophobicContact CG1-CE2 4.19Å; V206-F254 HydrophobicContact CG1-CG 3.45Å; V206-F254 VanDerWaalsContact CG1-CG 3.45Å; V206-F254 HydrophobicContact CG1-CZ 4.41Å; V206-L266 HydrophobicContact CG2-CD2 3.89Å; V206-F290 HydrophobicContact CB-CE1 4.34Å; V206-F290 HydrophobicContact CG1-CD1 4.39Å; V206-F290 HydrophobicContact CG1-CE1 3.73Å; V206-F290 HydrophobicContact CG2-CE1 3.66Å; V206-F290 HydrophobicContact CG2-CZ 3.88Å
207L92.5Very high92Very high31 Ų3165.1 Ų65.116%0.16232%0.321CS..Hα-helixtrans-87.3-5.6179.3-67.6170.1000113.7Y203 R209 F221 L223 L233 F254Y203-L207 VanDerWaalsContact O-CB 3.24Å; Y203-L207 WeakPolarHBondContact O-CB 3.34Å; Y203-L207 WeakPolarHBondContact O-CG 3.42Å; Y203-L207 PolarHBondContact O-N 3.02Å; L207-R209 HydrophobicContact CB-CB 4.41Å; L207-R209 PolarHBondContact O-N 3.4Å; L207-F221 HydrophobicContact CD1-CB 3.87Å; L207-F221 HydrophobicContact CD1-CD1 3.73Å; L207-F221 HydrophobicContact CD1-CD2 3.57Å; L207-F221 HydrophobicContact CD1-CE1 4.09Å; L207-F221 HydrophobicContact CD1-CE2 3.96Å; L207-F221 HydrophobicContact CD1-CG 3.44Å; L207-F221 VanDerWaalsContact CD1-CG 3.44Å; L207-F221 HydrophobicContact CD1-CZ 4.2Å; L207-L223 HydrophobicContact CD1-CD2 3.84Å; L207-L223 HydrophobicContact CD2-CD2 3.71Å; L207-L223 HydrophobicContact CG-CD2 4.41Å; L207-L233 HydrophobicContact CD1-CD2 4.19Å; L207-F254 HydrophobicContact CD2-CD1 3.71Å; L207-F254 HydrophobicContact CD2-CE1 3.84Å; L207-F254 HydrophobicContact CG-CD1 4.42Å; L207-F254 HydrophobicContact CG-CE1 4.28Å
208Q90.9Very high92Very high125 Ų12560.9 Ų60.958%0.58430%0.301SS*.THydrogen-bonded Turntrans48.840.7-172.5-60.7-172.9-13.200113.1E204 T205E204-Q208 VanDerWaalsContact O-CA 3.31Å; E204-Q208 WeakPolarHBondContact O-CA 3.34Å; E204-Q208 PolarHBondContact O-N 2.61Å; T205-Q208 PolarHBondContact O-N 3.18Å
209R92.4Very high92.1Very high125 Ų12557.9 Ų57.947%0.47229%0.285SS..SBendtrans-150.9141.5-172.1-167174.6-178.9-179.8-6.8110.7E204 L207 F221 T222E204-R209 WeakPolarHBondContact CA-O 3.48Å; E204-R209 WeakPolarHBondContact CB-O 3.3Å; E204-R209 WeakPolarHBondContact CG-O 3.19Å; E204-R209 PolarHBondContact O-N 2.97Å; L207-R209 HydrophobicContact CB-CB 4.41Å; L207-R209 PolarHBondContact O-N 3.4Å; R209-F221 WeakPolarHBondContact O-CE1 3.41Å; R209-T222 PolarHBondContact NH1-O 2.97Å
210Q93.3Very high92.1Very high140 Ų14059.3 Ų59.365%0.65429%0.291SS*.PPolyproline II helixtrans-69.4148.1171.9-68.8-78.4-95.700111.4E204E204-Q210 VanDerWaalsContact OE1-CA 3.31Å; E204-Q210 WeakPolarHBondContact OE1-CA 3.32Å; E204-Q210 PolarHBondContact OE1-NE2 2.96Å; E204-Q210 PolarHBondContact OE2-NE2 2.78Å
211A93.8Very high92.2Very high25 Ų2558.7 Ų58.721%0.20729%0.287CS..PPolyproline II helixtrans-76.4146.6174.800000111.6V200 E204 F221V200-A211 HydrophobicContact CG1-CB 4.04Å; E204-A211 HydrophobicContact CG-CB 4.25Å; E204-A211 PolarHBondContact OE1-N 2.79Å; A211-F221 HydrophobicContact CB-CD1 4.35Å; A211-F221 HydrophobicContact CB-CE1 3.71Å; A211-F221 HydrophobicContact CB-CE2 4.46Å; A211-F221 HydrophobicContact CB-CZ 3.78Å
212E94.1Very high92.1Very high65 Ų6554.6 Ų54.630%0.30428%0.275SS..EExtended strand (participates in β ladder)trans-86.2124.9167.3-59.8163.7-124.700107.7S219 W220 T222E212-S219 CarbonylContact O-C 3.59Å; E212-S219 WeakPolarHBondContact O-CA 3.45Å; E212-S219 WeakPolarHBondContact O-CB 3.37Å; E212-W220 HydrophobicContact CB-CD2 4.06Å; E212-W220 VanDerWaalsContact CB-CE2 3.45Å; E212-W220 HydrophobicContact CB-CG 4.4Å; E212-W220 HydrophobicContact CB-CH2 4.18Å; E212-W220 HydrophobicContact CB-CZ2 3.52Å; E212-W220 WeakPolarHBondContact CB-O 3.29Å; E212-W220 VanDerWaalsContact CD-NE1 3.27Å; E212-W220 PolarHBondContact N-O 2.94Å; E212-W220 WeakPolarHBondContact O-CZ3 3.29Å; E212-W220 PolarHBondContact O-N 3.34Å; E212-W220 PolarHBondContact OE2-NE1 3.19Å; E212-T222 WeakPolarHBondContact OE1-CB 3.35Å; E212-T222 PolarHBondContact OE1-N 2.8Å; E212-T222 PolarHBondContact OE1-OG1 2.99Å; E212-T222 PolarHBondContact OE2-OG1 2.85Å
213E88.1Confident92Very high120 Ų12055.3 Ų55.356%0.56128%0.279SS*.EExtended strand (participates in β ladder)trans-114.8139177.8-171.2-177.7151.500111.3K215 A216E213-K215 WeakPolarHBondContact CG-O 3.37Å; E213-A216 VanDerWaalsContact OE1-CA 3.32Å; E213-A216 WeakPolarHBondContact OE1-CA 3.17Å; E213-A216 PolarHBondContact OE1-N 3Å; E213-A216 VanDerWaalsContact OE1-N 3.1Å
214Q74.9Confident91.7Very high108 Ų10857.5 Ų57.551%0.50529%0.289SS..EExtended strand (participates in β ladder)trans-106.6-29.3173.2-175.6172.460.100112.1F218 W220Q214-F218 PolarHBondContact N-O 2.96Å; Q214-W220 HydrophobicContact CB-CH2 3.62Å; Q214-W220 HydrophobicContact CB-CZ3 3.48Å; Q214-W220 VanDerWaalsContact CB-CZ3 3.48Å; Q214-W220 VanDerWaalsContact N-CZ3 3.32Å
215K86.3Confident91.3Very high127 Ų12759.3 Ų59.355%0.55231%0.31SS*.EExtended strand (participates in β ladder)trans-164.9154.5-176.262.3-172.5179.7-168.60109.6E213 G217 F218E213-K215 WeakPolarHBondContact CG-O 3.37Å; K215-G217 PolarHBondContact O-N 3.01Å; K215-F218 HydrophobicContact CD-CB 4.48Å; K215-F218 HydrophobicContact CG-CB 3.92Å; K215-F218 PolarHBondContact O-N 3.28Å
216A86.3Confident90.9Very high89 Ų8960.4 Ų60.474%0.73631%0.312SS*.THydrogen-bonded Turntrans-49.7129.1173.500000111.2E213E213-A216 VanDerWaalsContact OE1-CA 3.32Å; E213-A216 WeakPolarHBondContact OE1-CA 3.17Å; E213-A216 PolarHBondContact OE1-N 3Å; E213-A216 VanDerWaalsContact OE1-N 3.1Å
217G91.7Very high90.4Very high9 Ų967 Ų679%0.09336%0.355CS..THydrogen-bonded Turntrans76.312.2-177.700000115.7K215 K236 Q237K215-G217 PolarHBondContact O-N 3.01Å; G217-K236 WeakPolarHBondContact O-CA 3.46Å; G217-Q237 PolarHBondContact O-N 2.81Å
218F95.3Very high89.8Confident20 Ų2067.1 Ų67.19%0.08836%0.363CS..EExtended strand (participates in β ladder)trans-145.7107.5167.3-175.7-102.4000113.9Y196 Q214 K215 W220 A234 L235 K236Y196-F218 WeakPolarHBondContact OH-CA 3.38Å; Y196-F218 PolarHBondContact OH-N 3.48Å; Y196-F218 VanDerWaalsContact OH-N 3.16Å; Q214-F218 PolarHBondContact N-O 2.96Å; K215-F218 HydrophobicContact CD-CB 4.48Å; K215-F218 HydrophobicContact CG-CB 3.92Å; K215-F218 PolarHBondContact O-N 3.28Å; F218-W220 AromaticContact CD1-CE3 3.93Å; F218-W220 HydrophobicContact CD1-CE3 3.93Å; F218-W220 HydrophobicContact CD1-CZ3 4.04Å; F218-W220 AromaticContact CE1-CE3 3.54Å; F218-W220 HydrophobicContact CE1-CE3 3.54Å; F218-W220 AromaticContact CE1-CZ3 3.95Å; F218-W220 HydrophobicContact CE1-CZ3 3.95Å; F218-W220 HydrophobicContact CZ-CE3 4.3Å; F218-A234 HydrophobicContact CE2-CB 3.86Å; F218-A234 HydrophobicContact CZ-CB 4.03Å; F218-L235 WeakPolarHBondContact CA-O 3.34Å; F218-L235 WeakPolarHBondContact CD2-O 3.33Å; F218-K236 HydrophobicContact CD2-CB 4.11Å; F218-K236 HydrophobicContact CD2-CG 4.43Å
219S96.3Very high89.7Confident4 Ų462.4 Ų62.43%0.02834%0.342CS..EExtended strand (participates in β ladder)trans-127.9156.8178.5-43.70000110.9Y196 E212 A234 L235Y196-S219 PolarHBondContact OH-N 3.29Å; Y196-S219 PolarHBondContact OH-OG 2.99Å; E212-S219 CarbonylContact O-C 3.59Å; E212-S219 WeakPolarHBondContact O-CA 3.45Å; E212-S219 WeakPolarHBondContact O-CB 3.37Å; S219-A234 CarbonylContact O-C 3.54Å; S219-A234 WeakPolarHBondContact O-CA 3.25Å; S219-L235 PolarHBondContact N-O 3.16Å; S219-L235 PolarHBondContact O-N 3.14Å
220W96.3Very high89.7Confident33 Ų3357.6 Ų57.613%0.12533%0.327CS..EExtended strand (participates in β ladder)trans-148.6170.5178.367.788.2000113.2E212 Q214 F218 Q232 L233 A234E212-W220 HydrophobicContact CB-CD2 4.06Å; E212-W220 VanDerWaalsContact CB-CE2 3.45Å; E212-W220 HydrophobicContact CB-CG 4.4Å; E212-W220 HydrophobicContact CB-CH2 4.18Å; E212-W220 HydrophobicContact CB-CZ2 3.52Å; E212-W220 WeakPolarHBondContact CB-O 3.29Å; E212-W220 VanDerWaalsContact CD-NE1 3.27Å; E212-W220 PolarHBondContact N-O 2.94Å; E212-W220 WeakPolarHBondContact O-CZ3 3.29Å; E212-W220 PolarHBondContact O-N 3.34Å; E212-W220 PolarHBondContact OE2-NE1 3.19Å; Q214-W220 HydrophobicContact CB-CH2 3.62Å; Q214-W220 HydrophobicContact CB-CZ3 3.48Å; Q214-W220 VanDerWaalsContact CB-CZ3 3.48Å; Q214-W220 VanDerWaalsContact N-CZ3 3.32Å; F218-W220 AromaticContact CD1-CE3 3.93Å; F218-W220 HydrophobicContact CD1-CE3 3.93Å; F218-W220 HydrophobicContact CD1-CZ3 4.04Å; F218-W220 AromaticContact CE1-CE3 3.54Å; F218-W220 HydrophobicContact CE1-CE3 3.54Å; F218-W220 AromaticContact CE1-CZ3 3.95Å; F218-W220 HydrophobicContact CE1-CZ3 3.95Å; F218-W220 HydrophobicContact CZ-CE3 4.3Å; W220-Q232 VanDerWaalsContact CD1-NE2 3.32Å; W220-L233 CarbonylContact C-O 3.52Å; W220-L233 WeakPolarHBondContact CA-O 3.4Å; W220-L233 WeakPolarHBondContact CB-O 3.37Å; W220-A234 HydrophobicContact CB-CB 3.79Å
221F96Very high89.7Confident1 Ų151 Ų510%0.00430%0.296CS..EExtended strand (participates in β ladder)trans-124.2119.8175.5-54.8-86.1000108.8E204 L207 R209 A211 L223 Q232 L233 L235E204-F221 HydrophobicContact CG-CE1 3.84Å; E204-F221 HydrophobicContact CG-CZ 3.82Å; L207-F221 HydrophobicContact CD1-CB 3.87Å; L207-F221 HydrophobicContact CD1-CD1 3.73Å; L207-F221 HydrophobicContact CD1-CD2 3.57Å; L207-F221 HydrophobicContact CD1-CE1 4.09Å; L207-F221 HydrophobicContact CD1-CE2 3.96Å; L207-F221 HydrophobicContact CD1-CG 3.44Å; L207-F221 VanDerWaalsContact CD1-CG 3.44Å; L207-F221 HydrophobicContact CD1-CZ 4.2Å; R209-F221 WeakPolarHBondContact O-CE1 3.41Å; A211-F221 HydrophobicContact CB-CD1 4.35Å; A211-F221 HydrophobicContact CB-CE1 3.71Å; A211-F221 HydrophobicContact CB-CE2 4.46Å; A211-F221 HydrophobicContact CB-CZ 3.78Å; F221-L223 HydrophobicContact CB-CD2 3.83Å; F221-L223 HydrophobicContact CB-CG 4.34Å; F221-L223 PolarHBondContact O-N 2.78Å; F221-L223 VanDerWaalsContact O-N 3.1Å; F221-Q232 WeakPolarHBondContact O-CA 3.14Å; F221-L233 HydrophobicContact CD2-CB 4.4Å; F221-L233 HydrophobicContact CD2-CD2 4.34Å; F221-L233 PolarHBondContact N-O 3.44Å; F221-L233 PolarHBondContact O-N 3.35Å; F221-L233 VanDerWaalsContact O-N 3.16Å; F221-L235 HydrophobicContact CE2-CD1 3.85Å
222T94.1Very high89.7Confident33 Ų3350.4 Ų50.420%0.20229%0.29CS..EExtended strand (participates in β ladder)trans-74.894.6169.5-61.40000109.8R209 E212R209-T222 PolarHBondContact NH1-O 2.97Å; E212-T222 WeakPolarHBondContact OE1-CB 3.35Å; E212-T222 PolarHBondContact OE1-N 2.8Å; E212-T222 PolarHBondContact OE1-OG1 2.99Å; E212-T222 PolarHBondContact OE2-OG1 2.85Å
223L92Very high89.9Confident21 Ų2147.3 Ų47.311%0.1128%0.275CS..EExtended strand (participates in β ladder)trans-81.6-37.7-169.8-68.2-171.8000113.9P41 I42 L207 F221 L231 L233P41-L223 HydrophobicContact CG-CB 3.89Å; P41-L223 HydrophobicContact CG-CD2 4.22Å; P41-L223 HydrophobicContact CG-CG 4.44Å; I42-L223 HydrophobicContact CB-CD1 3.98Å; I42-L223 HydrophobicContact CG2-CD1 3.44Å; I42-L223 VanDerWaalsContact CG2-CD1 3.44Å; L207-L223 HydrophobicContact CD1-CD2 3.84Å; L207-L223 HydrophobicContact CD2-CD2 3.71Å; L207-L223 HydrophobicContact CG-CD2 4.41Å; F221-L223 HydrophobicContact CB-CD2 3.83Å; F221-L223 HydrophobicContact CB-CG 4.34Å; F221-L223 PolarHBondContact O-N 2.78Å; F221-L223 VanDerWaalsContact O-N 3.1Å; L223-L231 HydrophobicContact CB-CD2 4.12Å; L223-L231 HydrophobicContact CB-CG 4.09Å; L223-L231 HydrophobicContact CD1-CD2 4.49Å; L223-L231 PolarHBondContact N-O 2.73Å; L223-L233 HydrophobicContact CD1-CB 3.76Å; L223-L233 HydrophobicContact CG-CB 4.27Å
224H89.3Confident90.3Very high48 Ų4841.6 Ų41.622%0.22225%0.249CC..EExtended strand (participates in β ladder)trans-151.7148.8178-175.849.8000109.6L40 E226 L231L40-H224 HydrophobicContact CD2-CB 4.06Å; H224-E226 IonicContact CD2-OE1 2.82Å; H224-E226 IonicContact CE1-OE1 2.7Å; H224-E226 VanDerWaalsContact NE2-CG 3.25Å; H224-E226 WeakPolarHBondContact NE2-CG 3.45Å; H224-E226 IonicContact NE2-OE1 3.04Å; H224-E226 PolarHBondContact NE2-OE1 3.02Å; H224-L231 HydrophobicContact CB-CB 4Å; H224-L231 HydrophobicContact CB-CD2 4.32Å; H224-L231 PolarHBondContact N-O 2.8Å; H224-L231 PolarHBondContact O-N 2.83Å
225A88.3Confident91.3Very high72 Ų7236.5 Ų36.560%0.59523%0.225SC*.EExtended strand (participates in β ladder)trans-143120-178.800000110.9
226E84.4Confident91.7Very high65 Ų6533.5 Ų33.530%0.30421%0.212SC..EExtended strand (participates in β ladder)trans-113.4160.7174-59.9-171.2162.700109.5S70 H224 G228 L229S70-E226 VanDerWaalsContact CB-OE2 3.3Å; S70-E226 WeakPolarHBondContact CB-OE2 3.38Å; S70-E226 PolarHBondContact OG-OE2 3.32Å; H224-E226 IonicContact CD2-OE1 2.82Å; H224-E226 IonicContact CE1-OE1 2.7Å; H224-E226 VanDerWaalsContact NE2-CG 3.25Å; H224-E226 WeakPolarHBondContact NE2-CG 3.45Å; H224-E226 IonicContact NE2-OE1 3.04Å; H224-E226 PolarHBondContact NE2-OE1 3.02Å; E226-G228 PolarHBondContact O-N 3.45Å; E226-L229 PolarHBondContact N-O 3.1Å; E226-L229 PolarHBondContact O-N 2.93Å; E226-L229 VanDerWaalsContact O-O 3.09Å
227P81.6Confident92.1Very high146 Ų14631.7 Ų31.795%0.94819%0.188SC*.THydrogen-bonded Turntrans-56.2104.2175.5-26.436.3000112.1
228G81.6Confident92.2Very high33 Ų3332 Ų3234%0.3419%0.188SC..THydrogen-bonded Turntrans95.8-9.1-179.700000116.2E183 E226E183-G228 WeakPolarHBondContact CB-O 3.32Å; E183-G228 PolarHBondContact N-O 3.28Å; E226-G228 PolarHBondContact O-N 3.45Å
229L87.9Confident92Very high27 Ų2734.1 Ų34.114%0.14121%0.205CC..EExtended strand (participates in β ladder)trans-140.6130.1-175.2179.661000113C68 L71 E183 E226C68-L229 HydrophobicContact CB-CD2 3.55Å; L71-L229 HydrophobicContact CD1-CD2 3.54Å; L71-L229 HydrophobicContact CD1-CG 4.02Å; L71-L229 HydrophobicContact CG-CD2 3.92Å; E183-L229 HydrophobicContact CB-CD1 3.9Å; E183-L229 CarbonylContact O-C 3.52Å; E183-L229 WeakPolarHBondContact O-CA 3.4Å; E226-L229 PolarHBondContact N-O 3.1Å; E226-L229 PolarHBondContact O-N 2.93Å; E226-L229 VanDerWaalsContact O-O 3.09Å
230C91.4Very high91.7Very high23 Ų2338.2 Ų38.216%0.15523%0.231CC..EExtended strand (participates in β ladder)trans-116140.7178.9-176.10000111.6E183 I184 L185E183-C230 PolarHBondContact O-N 3.11Å; I184-C230 CarbonylContact C-O 3.54Å; I184-C230 WeakPolarHBondContact CA-O 3.5Å; I184-C230 HydrophobicContact CG1-CB 4.33Å; I184-C230 HydrophobicContact CG2-CB 4.32Å; L185-C230 PolarHBondContact N-O 3.25Å
231L93.3Very high91.2Very high1 Ų140.6 Ų40.61%0.00527%0.266CS..EExtended strand (participates in β ladder)trans-101.5124.5166.9177.160.4000109.5I42 I73 L185 L223 H224I42-L231 HydrophobicContact CG2-CD2 4.15Å; I73-L231 HydrophobicContact CD1-CD1 3.52Å; I73-L231 HydrophobicContact CD1-CD2 3.75Å; I73-L231 HydrophobicContact CD1-CG 4.17Å; I73-L231 HydrophobicContact CG1-CD2 4.03Å; L185-L231 HydrophobicContact CB-CD1 4.41Å; L185-L231 HydrophobicContact CD2-CD1 4.23Å; L185-L231 HydrophobicContact CG-CD1 3.95Å; L185-L231 WeakPolarHBondContact O-CA 3.33Å; L223-L231 HydrophobicContact CB-CD2 4.12Å; L223-L231 HydrophobicContact CB-CG 4.09Å; L223-L231 HydrophobicContact CD1-CD2 4.49Å; L223-L231 PolarHBondContact N-O 2.73Å; H224-L231 HydrophobicContact CB-CB 4Å; H224-L231 HydrophobicContact CB-CD2 4.32Å; H224-L231 PolarHBondContact N-O 2.8Å; H224-L231 PolarHBondContact O-N 2.83Å
232Q95.6Very high90.9Very high14 Ų1442.5 Ų42.57%0.06528%0.277CS..EExtended strand (participates in β ladder)trans-123138.7175.2-68.2-174.5-25.500111.8I184 L185 R186 I187 W220 F221I184-Q232 HydrophobicContact CG2-CB 4.14Å; I184-Q232 HydrophobicContact CG2-CG 3.81Å; L185-Q232 PolarHBondContact O-N 3.03Å; R186-Q232 WeakPolarHBondContact CA-O 3.48Å; R186-Q232 HydrophobicContact CB-CB 4.42Å; R186-Q232 HydrophobicContact CG-CB 4.15Å; R186-Q232 VanDerWaalsContact CZ-OE1 3.3Å; I187-Q232 PolarHBondContact N-O 2.86Å; W220-Q232 VanDerWaalsContact CD1-NE2 3.32Å; F221-Q232 WeakPolarHBondContact O-CA 3.14Å
233L96.9Very high90.5Very high0 Ų042 Ų420%028%0.279CS..EExtended strand (participates in β ladder)trans-101123.6156.318070.1000107.3I42 I187 L189 Y203 L207 W220 F221 L223 F254I42-L233 HydrophobicContact CD1-CD1 4.3Å; I42-L233 HydrophobicContact CD1-CD2 4.36Å; I187-L233 HydrophobicContact CB-CD1 3.94Å; I187-L233 HydrophobicContact CG2-CD1 3.75Å; I187-L233 CarbonylContact O-C 3.44Å; I187-L233 WeakPolarHBondContact O-CA 3.44Å; L189-L233 HydrophobicContact CD1-CD1 3.88Å; L189-L233 HydrophobicContact CD1-CG 4.47Å; L189-L233 HydrophobicContact CG-CD1 4.28Å; Y203-L233 HydrophobicContact CD1-CD2 3.95Å; Y203-L233 HydrophobicContact CE1-CD2 4.43Å; Y203-L233 HydrophobicContact CG-CD2 4.35Å; L207-L233 HydrophobicContact CD1-CD2 4.19Å; W220-L233 CarbonylContact C-O 3.52Å; W220-L233 WeakPolarHBondContact CA-O 3.4Å; W220-L233 WeakPolarHBondContact CB-O 3.37Å; F221-L233 HydrophobicContact CD2-CB 4.4Å; F221-L233 HydrophobicContact CD2-CD2 4.34Å; F221-L233 PolarHBondContact N-O 3.44Å; F221-L233 PolarHBondContact O-N 3.35Å; F221-L233 VanDerWaalsContact O-N 3.16Å; L223-L233 HydrophobicContact CD1-CB 3.76Å; L223-L233 HydrophobicContact CG-CB 4.27Å; L233-F254 HydrophobicContact CD2-CE1 4.07Å; L233-F254 HydrophobicContact CD2-CZ 4.11Å
234A97Very high90.5Very high0 Ų042.3 Ų42.30%028%0.282CS..EExtended strand (participates in β ladder)trans-119.1146.4-179.800000111R186 I187 T188 L189 F218 S219 W220R186-A234 HydrophobicContact CG-CB 3.82Å; I187-A234 PolarHBondContact O-N 3.24Å; T188-A234 CarbonylContact C-O 3.58Å; T188-A234 WeakPolarHBondContact CA-O 3.49Å; L189-A234 PolarHBondContact N-O 3.07Å; F218-A234 HydrophobicContact CE2-CB 3.86Å; F218-A234 HydrophobicContact CZ-CB 4.03Å; S219-A234 CarbonylContact O-C 3.54Å; S219-A234 WeakPolarHBondContact O-CA 3.25Å; W220-A234 HydrophobicContact CB-CB 3.79Å
235L96.6Very high90.5Very high1 Ų144 Ų441%0.00529%0.29CS..EExtended strand (participates in β ladder)trans-107.9140.4166.4-77.686.7000109.5L189 Y196 A199 V200 Y203 F218 S219 F221L189-L235 HydrophobicContact CB-CG 4.36Å; L189-L235 CarbonylContact O-C 3.51Å; L189-L235 WeakPolarHBondContact O-CA 3.42Å; Y196-L235 HydrophobicContact CE2-CB 3.86Å; A199-L235 HydrophobicContact CB-CD2 3.7Å; V200-L235 HydrophobicContact CG2-CB 4.42Å; V200-L235 HydrophobicContact CG2-CD2 3.94Å; Y203-L235 HydrophobicContact CD2-CD1 3.96Å; Y203-L235 HydrophobicContact CD2-CD2 4.03Å; Y203-L235 HydrophobicContact CD2-CG 4.39Å; Y203-L235 HydrophobicContact CG-CD1 4.37Å; F218-L235 WeakPolarHBondContact CA-O 3.34Å; F218-L235 WeakPolarHBondContact CD2-O 3.33Å; S219-L235 PolarHBondContact N-O 3.16Å; S219-L235 PolarHBondContact O-N 3.14Å; F221-L235 HydrophobicContact CE2-CD1 3.85Å
236K95.1Very high90.6Very high63 Ų6341.9 Ų41.927%0.27427%0.272SS..EExtended strand (participates in β ladder)trans-133.5118.2178.5-179.3162.7167.2175.10109.7E131 T188 L189 Y190 S191 G217 F218E131-K236 IonicContact OE1-NZ 2.62Å; E131-K236 PolarHBondContact OE1-NZ 2.58Å; T188-K236 HydrophobicContact CG2-CB 4.05Å; L189-K236 PolarHBondContact O-N 3.19Å; Y190-K236 WeakPolarHBondContact CA-O 3.37Å; Y190-K236 HydrophobicContact CD1-CB 4.06Å; Y190-K236 HydrophobicContact CD1-CD 4.05Å; Y190-K236 HydrophobicContact CD1-CG 4.02Å; Y190-K236 HydrophobicContact CE1-CB 4.31Å; Y190-K236 HydrophobicContact CE1-CD 3.55Å; Y190-K236 HydrophobicContact CE1-CG 4.06Å; S191-K236 PolarHBondContact N-O 2.97Å; S191-K236 VanDerWaalsContact N-O 3.07Å; G217-K236 WeakPolarHBondContact O-CA 3.46Å; F218-K236 HydrophobicContact CD2-CB 4.11Å; F218-K236 HydrophobicContact CD2-CG 4.43Å
237Q94.7Very high90.9Very high51 Ų5139.1 Ų39.124%0.23826%0.26CS..EExtended strand (participates in β ladder)trans-69.1131.4175.7-166.5177.842.400109.9Y193 Y196 G217Y193-Q237 HydrophobicContact CD2-CG 4Å; Y193-Q237 PolarHBondContact O-NE2 3.04Å; Y196-Q237 HydrophobicContact CD1-CB 4.37Å; Y196-Q237 HydrophobicContact CD2-CB 3.53Å; Y196-Q237 HydrophobicContact CD2-CG 4.17Å; Y196-Q237 HydrophobicContact CE2-CB 3.98Å; Y196-Q237 HydrophobicContact CG-CB 3.75Å; Y196-Q237 HydrophobicContact CG-CG 3.92Å; G217-Q237 PolarHBondContact O-N 2.81Å
238L92.8Very high91.3Very high17 Ų1734 Ų349%0.08923%0.228CC..PPolyproline II helixtrans-82157.7170.2-66.6-179.9000111.9Y95 Y190 S191 Y193 V242 V244Y95-L238 HydrophobicContact CD1-CD1 4.08Å; Y95-L238 HydrophobicContact CD1-CD2 3.72Å; Y95-L238 HydrophobicContact CE1-CD2 4.13Å; Y95-L238 HydrophobicContact CG-CD1 4.17Å; Y95-L238 HydrophobicContact CG-CD2 4.02Å; Y190-L238 HydrophobicContact CD1-CD2 3.7Å; Y190-L238 HydrophobicContact CG-CD2 4.35Å; S191-L238 PolarHBondContact O-N 3.16Å; Y193-L238 WeakPolarHBondContact CB-O 3.48Å; L238-V242 HydrophobicContact CB-CB 4.27Å; L238-V242 HydrophobicContact CB-CG1 4.48Å; L238-V242 HydrophobicContact CD1-CG1 4Å; L238-V244 HydrophobicContact CD1-CG2 3.6Å
239S91.3Very high91.8Very high64 Ų6432.6 Ų32.645%0.44821%0.213SC..PPolyproline II helixtrans-61.8148.7175.4-53.30000111.8G241 V242S239-G241 PolarHBondContact O-N 2.82Å; S239-V242 WeakPolarHBondContact O-CB 3.25Å; S239-V242 WeakPolarHBondContact O-CG2 3.16Å; S239-V242 PolarHBondContact O-N 3.07Å; S239-V242 VanDerWaalsContact O-N 3.12Å
240P90.1Very high92.1Very high90 Ų9031.5 Ų31.558%0.58421%0.207SC*.THydrogen-bonded Turntrans-49.2132.3174.1-27.833.3000112.9Y193 V242Y193-P240 HydrophobicContact CD1-CB 4.44Å; Y193-P240 HydrophobicContact CD1-CG 4.04Å; Y193-P240 HydrophobicContact CD2-CG 3.63Å; Y193-P240 HydrophobicContact CE1-CG 4.17Å; Y193-P240 HydrophobicContact CE2-CG 3.76Å; Y193-P240 HydrophobicContact CG-CB 4.3Å; Y193-P240 HydrophobicContact CG-CG 3.78Å; P240-V242 VanDerWaalsContact C-N 3.35Å
241G86Confident92.3Very high82 Ų8230.5 Ų30.585%0.84520%0.2SC*.THydrogen-bonded Turntrans81.12.4179.600000116S239S239-G241 PolarHBondContact O-N 2.82Å
242V88.8Confident92.5Very high42 Ų4230.6 Ų30.626%0.25520%0.201SC..  trans-88.2125.3168.3-175.90000109.1L238 S239 P240L238-V242 HydrophobicContact CB-CB 4.27Å; L238-V242 HydrophobicContact CB-CG1 4.48Å; L238-V242 HydrophobicContact CD1-CG1 4Å; S239-V242 WeakPolarHBondContact O-CB 3.25Å; S239-V242 WeakPolarHBondContact O-CG2 3.16Å; S239-V242 PolarHBondContact O-N 3.07Å; S239-V242 VanDerWaalsContact O-N 3.12Å; P240-V242 VanDerWaalsContact C-N 3.35Å
243G86.4Confident92.4Very high23 Ų2330.4 Ų30.424%0.23720%0.2CC..  trans-79.5158.2173.800000112.3Y95Y95-G243 PolarHBondContact N-O 3.15Å
244V91.1Very high92.3Very high27 Ų2730.5 Ų30.516%0.16420%0.201CC..EExtended strand (participates in β ladder)trans-106.1133.7174.5177.50000109.6Y95 Y190 L238 D284Y95-V244 CarbonylContact O-C 3.56Å; Y95-V244 WeakPolarHBondContact O-CA 3.2Å; Y190-V244 WeakPolarHBondContact O-CG2 3.48Å; L238-V244 HydrophobicContact CD1-CG2 3.6Å; V244-D284 HydrophobicContact CB-CB 4.32Å; V244-D284 HydrophobicContact CG1-CB 3.97Å
245E90.1Very high92Very high83 Ų8331.4 Ų31.439%0.38821%0.207SC..EExtended strand (participates in β ladder)trans-96.9109.3166.9-173.6165.3-148.500110.1D94 Y95 S97D94-E245 HydrophobicContact CB-CB 3.87Å; Y95-E245 PolarHBondContact O-N 2.82Å; S97-E245 WeakPolarHBondContact CB-O 3.35Å; S97-E245 PolarHBondContact N-O 2.6Å; S97-E245 PolarHBondContact OG-O 3.42Å
246A89.3Confident91.7Very high27 Ų2731.8 Ų31.822%0.22321%0.209CC..  trans-55.5134.8176.900000113S97 S248 D284 S285S97-A246 WeakPolarHBondContact OG-CA 3.45Å; A246-S248 VanDerWaalsContact C-N 3.3Å; A246-S248 PolarHBondContact O-N 2.99Å; A246-D284 WeakPolarHBondContact CB-O 3.2Å; A246-S285 WeakPolarHBondContact CB-O 2.95Å
247C91Very high91.3Very high8 Ų834.9 Ų34.95%0.05422%0.224CC..  trans-80.475.8-172.4-164.90000111.6S97 L98 G169 P171 S249 A250 N286S97-C247 WeakPolarHBondContact OG-CB 3.49Å; S97-C247 PolarHBondContact OG-N 2.87Å; L98-C247 HydrophobicContact CB-CB 3.69Å; L98-C247 HydrophobicContact CD2-CB 4.13Å; G169-C247 PolarHBondContact O-SG 3.21Å; P171-C247 VanDerWaalsContact N-SG 3.37Å; C247-S249 PolarHBondContact O-N 3.48Å; C247-A250 HydrophobicContact CB-CB 4.28Å; C247-A250 PolarHBondContact O-N 2.9Å; C247-A250 VanDerWaalsContact SG-CB 3.59Å; C247-N286 PolarHBondContact N-OD1 3.49Å
248S90Very high90.8Very high39 Ų3937.4 Ų37.427%0.27324%0.236SC..THydrogen-bonded Turntrans-58.3-18.1-172.865.30000115.8R79 F83 A246R79-S248 PolarHBondContact NH1-O 2.79Å; R79-S248 PolarHBondContact NH2-O 2.9Å; F83-S248 WeakPolarHBondContact CE2-OG 3.49Å; F83-S248 VanDerWaalsContact CZ-OG 3.29Å; F83-S248 WeakPolarHBondContact CZ-OG 3.3Å; A246-S248 VanDerWaalsContact C-N 3.3Å; A246-S248 PolarHBondContact O-N 2.99Å
249S93.4Very high90.5Very high3 Ų336.9 Ų36.92%0.02123%0.234CC..THydrogen-bonded Turntrans-104.816.1176.5-49.50000114.4L47 R79 G169 M170 C247L47-S249 PolarHBondContact N-O 3.29Å; R79-S249 PolarHBondContact NH2-OG 3.01Å; G169-S249 VanDerWaalsContact O-CB 3.25Å; G169-S249 WeakPolarHBondContact O-CB 3.27Å; G169-S249 PolarHBondContact O-N 3.4Å; G169-S249 PolarHBondContact O-OG 3.3Å; M170-S249 WeakPolarHBondContact SD-CB 3.28Å; C247-S249 PolarHBondContact O-N 3.48Å
250A94.4Very high90.1Very high3 Ų336.1 Ų36.13%0.02524%0.236CC..EExtended strand (participates in β ladder)trans-129.4153.2171.900000111.6L44 H45 L46 L98 P171 C247L44-A250 HydrophobicContact CD1-CB 4.31Å; H45-A250 CarbonylContact O-C 3.6Å; H45-A250 WeakPolarHBondContact O-CA 3.21Å; L46-A250 HydrophobicContact CD2-CB 4.1Å; L98-A250 HydrophobicContact CD2-CB 3.51Å; P171-A250 HydrophobicContact CG-CB 4.37Å; C247-A250 HydrophobicContact CB-CB 4.28Å; C247-A250 PolarHBondContact O-N 2.9Å; C247-A250 VanDerWaalsContact SG-CB 3.59Å
251V95.5Very high89.9Confident2 Ų237.6 Ų37.61%0.01224%0.235CC..EExtended strand (participates in β ladder)trans-138.5126.7174.4-168.60000109.8H45 L47 K287 L289H45-V251 HydrophobicContact CB-CB 4.25Å; H45-V251 PolarHBondContact N-O 3.13Å; H45-V251 PolarHBondContact O-N 3.2Å; L47-V251 HydrophobicContact CD1-CG2 3.67Å; L47-V251 HydrophobicContact CD2-CG2 3.98Å; L47-V251 HydrophobicContact CG-CG2 3.95Å; V251-K287 WeakPolarHBondContact CA-O 3.49Å; V251-K287 HydrophobicContact CB-CB 4.26Å; V251-K287 HydrophobicContact CG1-CB 3.92Å; V251-K287 HydrophobicContact CG2-CB 3.94Å; V251-K287 HydrophobicContact CG2-CD 3.86Å; V251-L289 HydrophobicContact CG1-CB 4.2Å; V251-L289 HydrophobicContact CG1-CD1 3.55Å; V251-L289 HydrophobicContact CG1-CG 3.51Å
252L95.6Very high90Very high3 Ų333.9 Ų33.92%0.01620%0.196CC..EExtended strand (participates in β ladder)trans-90.2107.1178.1-61.5157.7000109.1I42 L44 I187 L189 Y203 F254 K287 V288 L289I42-L252 HydrophobicContact CD1-CD2 3.82Å; L44-L252 HydrophobicContact CD1-CD2 3.52Å; L44-L252 HydrophobicContact CD1-CG 4.14Å; I187-L252 HydrophobicContact CG2-CD2 4.39Å; L189-L252 HydrophobicContact CD1-CD1 4.17Å; L189-L252 HydrophobicContact CD2-CD1 4.07Å; Y203-L252 HydrophobicContact CE1-CD1 4.47Å; L252-F254 HydrophobicContact CB-CD2 4.39Å; L252-F254 HydrophobicContact CB-CE2 3.58Å; L252-F254 HydrophobicContact CB-CZ 4.11Å; L252-K287 PolarHBondContact N-O 3.28Å; L252-V288 HydrophobicContact CD1-CG2 4.46Å; L252-V288 CarbonylContact O-C 3.56Å; L252-V288 WeakPolarHBondContact O-CA 3.46Å; L252-L289 PolarHBondContact O-N 2.79Å
253Q95.1Very high89.9Confident11 Ų1134.2 Ų34.25%0.05120%0.198CC..EExtended strand (participates in β ladder)trans-97.2118178.1-177-16832.400110.3I42 N43 H45 L289 Q291I42-Q253 CarbonylContact C-O 3.4Å; I42-Q253 VanDerWaalsContact CA-O 3.32Å; I42-Q253 WeakPolarHBondContact CA-O 3.47Å; N43-Q253 HydrophobicContact CB-CB 4.29Å; N43-Q253 PolarHBondContact N-O 2.82Å; N43-Q253 PolarHBondContact O-N 3.08Å; H45-Q253 PolarHBondContact NE2-OE1 3.18Å; Q253-L289 CarbonylContact C-O 3.55Å; Q253-L289 WeakPolarHBondContact CA-O 3.28Å; Q253-L289 HydrophobicContact CB-CB 4.08Å; Q253-L289 HydrophobicContact CG-CB 4.11Å; Q253-Q291 HydrophobicContact CG-CB 4.08Å; Q253-Q291 VanDerWaalsContact NE2-OE1 3.1Å
254F94.3Very high90Very high2 Ų238 Ų381%0.00922%0.218CC..EExtended strand (participates in β ladder)trans-104.1140.8177.9-62.7-90.7000112P41 I42 Y203 V206 L207 L233 L252 V256 V288 L289 F290 Q291P41-F254 WeakPolarHBondContact O-CA 3.45Å; I42-F254 HydrophobicContact CB-CD1 4.26Å; I42-F254 HydrophobicContact CB-CE1 4.23Å; I42-F254 HydrophobicContact CD1-CD1 4.24Å; I42-F254 HydrophobicContact CD1-CE1 3.47Å; I42-F254 VanDerWaalsContact CD1-CE1 3.47Å; I42-F254 HydrophobicContact CD1-CE2 4.4Å; I42-F254 HydrophobicContact CD1-CZ 3.56Å; I42-F254 HydrophobicContact CG1-CD1 3.97Å; I42-F254 HydrophobicContact CG1-CE1 3.72Å; I42-F254 HydrophobicContact CG1-CZ 4.05Å; Y203-F254 HydrophobicContact CD1-CE1 4.36Å; Y203-F254 HydrophobicContact CD1-CE2 4.35Å; Y203-F254 AromaticContact CD1-CZ 3.74Å; Y203-F254 HydrophobicContact CD1-CZ 3.74Å; Y203-F254 AromaticContact CE1-CE2 3.85Å; Y203-F254 HydrophobicContact CE1-CE2 3.85Å; Y203-F254 AromaticContact CE1-CZ 3.53Å; Y203-F254 HydrophobicContact CE1-CZ 3.53Å; V206-F254 HydrophobicContact CG1-CB 3.79Å; V206-F254 HydrophobicContact CG1-CD1 3.72Å; V206-F254 HydrophobicContact CG1-CD2 3.71Å; V206-F254 HydrophobicContact CG1-CE1 4.19Å; V206-F254 HydrophobicContact CG1-CE2 4.19Å; V206-F254 HydrophobicContact CG1-CG 3.45Å; V206-F254 VanDerWaalsContact CG1-CG 3.45Å; V206-F254 HydrophobicContact CG1-CZ 4.41Å; L207-F254 HydrophobicContact CD2-CD1 3.71Å; L207-F254 HydrophobicContact CD2-CE1 3.84Å; L207-F254 HydrophobicContact CG-CD1 4.42Å; L207-F254 HydrophobicContact CG-CE1 4.28Å; L233-F254 HydrophobicContact CD2-CE1 4.07Å; L233-F254 HydrophobicContact CD2-CZ 4.11Å; L252-F254 HydrophobicContact CB-CD2 4.39Å; L252-F254 HydrophobicContact CB-CE2 3.58Å; L252-F254 HydrophobicContact CB-CZ 4.11Å; F254-V256 HydrophobicContact CB-CG1 4.32Å; F254-V256 PolarHBondContact O-N 3.1Å; F254-V288 HydrophobicContact CD2-CG1 3.86Å; F254-V288 HydrophobicContact CE2-CG1 3.96Å; F254-L289 PolarHBondContact N-O 3.06Å; F254-F290 HydrophobicContact CB-CD1 4.27Å; F254-F290 HydrophobicContact CD2-CE1 4.47Å; F254-Q291 PolarHBondContact O-N 2.84Å
255S91.2Very high89.8Confident19 Ų1942.2 Ų42.213%0.13324%0.239CC..EExtended strand (participates in β ladder)trans-91.994.7-178.2-59.70000110.9L40 P41 K293L40-S255 PolarHBondContact O-OG 2.92Å; P41-S255 PolarHBondContact O-N 2.98Å; S255-K293 WeakPolarHBondContact O-CE 3.25Å
256V89.4Confident89.9Confident9 Ų939.1 Ų39.16%0.05523%0.225CC..EExtended strand (participates in β ladder)trans-106.9160.6-171.9-54.60000112.5F254 V259 L262 F290 Q291 K293F254-V256 HydrophobicContact CB-CG1 4.32Å; F254-V256 PolarHBondContact O-N 3.1Å; V256-V259 HydrophobicContact CG2-CG2 3.6Å; V256-L262 HydrophobicContact CB-CD1 3.87Å; V256-L262 HydrophobicContact CG1-CD1 3.66Å; V256-L262 HydrophobicContact CG2-CD1 4.21Å; V256-F290 HydrophobicContact CG1-CB 4.46Å; V256-F290 HydrophobicContact CG1-CD1 4.05Å; V256-F290 HydrophobicContact CG2-CB 3.9Å; V256-Q291 PolarHBondContact N-O 2.99Å; V256-K293 WeakPolarHBondContact O-CG 3.13Å; V256-K293 PolarHBondContact O-N 2.95Å
257E85.9Confident89.9Confident127 Ų12741.5 Ų41.559%0.59324%0.239SC*.SBendtrans-90.8-47.9-176.7-47-152.2150.800112.2K293E257-K293 HydrophobicContact CG-CD 4.23Å; E257-K293 IonicContact OE1-NZ 3.79Å; E257-K293 PolarHBondContact OE1-NZ 2.7Å
258E85.1Confident89.8Confident105 Ų10543.8 Ų43.849%0.49125%0.25SS..  trans-140111.9174.2-175.7173.9-16600110.7G260 Q261E258-G260 PolarHBondContact O-N 2.82Å; E258-Q261 HydrophobicContact CB-CG 4.28Å; E258-Q261 HydrophobicContact CG-CG 4.2Å; E258-Q261 PolarHBondContact O-N 3.28Å; E258-Q261 WeakPolarHBondContact OE2-CG 3.4Å; E258-Q261 PolarHBondContact OE2-NE2 3.33Å
259V86.3Confident89.8Confident5 Ų547 Ų473%0.0327%0.27CS..Hα-helixtrans-61.3-34.2176.2168.80000111.4V256 Q261 L262 V263 W278 F290 V292V256-V259 HydrophobicContact CG2-CG2 3.6Å; V259-Q261 PolarHBondContact O-N 3.39Å; V259-Q261 VanDerWaalsContact O-N 3.15Å; V259-L262 WeakPolarHBondContact O-CA 3.44Å; V259-L262 WeakPolarHBondContact O-CB 3.27Å; V259-L262 PolarHBondContact O-N 2.91Å; V259-V263 HydrophobicContact CG1-CG2 3.6Å; V259-V263 WeakPolarHBondContact O-CG2 3.34Å; V259-V263 PolarHBondContact O-N 3.04Å; V259-W278 HydrophobicContact CB-CG 4.36Å; V259-W278 HydrophobicContact CG1-CB 4.2Å; V259-W278 HydrophobicContact CG1-CD2 3.77Å; V259-W278 HydrophobicContact CG1-CE3 4.11Å; V259-W278 HydrophobicContact CG1-CG 3.81Å; V259-W278 HydrophobicContact CG2-CB 4.4Å; V259-W278 HydrophobicContact CG2-CG 4.17Å; V259-F290 HydrophobicContact CG2-CB 3.7Å; V259-F290 HydrophobicContact CG2-CG 4.46Å; V259-V292 HydrophobicContact CB-CG2 4.39Å; V259-V292 HydrophobicContact CG2-CG2 3.7Å
260G84Confident89.7Confident48 Ų4847.5 Ų47.550%0.49527%0.274SS..Hα-helixtrans-57.8-27.5-179.600000115E258 P264E258-G260 PolarHBondContact O-N 2.82Å; G260-P264 WeakPolarHBondContact O-CD 3.28Å
261Q85.9Confident89.6Confident121 Ų12150.9 Ų50.957%0.56529%0.294SS*.Hα-helixtrans-81-25.6173.6-60.4-174.329.800112.7E258 V259E258-Q261 HydrophobicContact CB-CG 4.28Å; E258-Q261 HydrophobicContact CG-CG 4.2Å; E258-Q261 PolarHBondContact O-N 3.28Å; E258-Q261 WeakPolarHBondContact OE2-CG 3.4Å; E258-Q261 PolarHBondContact OE2-NE2 3.33Å; V259-Q261 PolarHBondContact O-N 3.39Å; V259-Q261 VanDerWaalsContact O-N 3.15Å
262L87.6Confident89.3Confident4 Ų454.7 Ų54.72%0.02132%0.319CS..Hα-helixtrans-82.8-44.1-179.7-66.1172.4000112.3T205 V256 V259 P264 L265 L266T205-L262 HydrophobicContact CG2-CD2 4.06Å; T205-L262 WeakPolarHBondContact O-CD2 3.36Å; V256-L262 HydrophobicContact CB-CD1 3.87Å; V256-L262 HydrophobicContact CG1-CD1 3.66Å; V256-L262 HydrophobicContact CG2-CD1 4.21Å; V259-L262 WeakPolarHBondContact O-CA 3.44Å; V259-L262 WeakPolarHBondContact O-CB 3.27Å; V259-L262 PolarHBondContact O-N 2.91Å; L262-P264 VanDerWaalsContact C-N 3.32Å; L262-P264 VanDerWaalsContact O-N 3.11Å; L262-L265 WeakPolarHBondContact O-CB 3.32Å; L262-L265 PolarHBondContact O-N 3.43Å; L262-L266 HydrophobicContact CB-CD1 4.19Å; L262-L266 WeakPolarHBondContact O-CG 3.18Å; L262-L266 PolarHBondContact O-N 3.26Å
263V86.6Confident88.9Confident49 Ų4955.7 Ų55.730%0.29732%0.324SS..G310 helixtrans-49-42.5-174.1-173.30000114V259 L265 L266 C270V259-V263 HydrophobicContact CG1-CG2 3.6Å; V259-V263 WeakPolarHBondContact O-CG2 3.34Å; V259-V263 PolarHBondContact O-N 3.04Å; V263-L265 PolarHBondContact O-N 3.37Å; V263-L266 PolarHBondContact O-N 2.98Å; V263-C270 HydrophobicContact CG1-CB 4.12Å; V263-C270 HydrophobicContact CG2-CB 3.75Å
264P87.6Confident88.4Confident103 Ų10356.5 Ų56.567%0.66933%0.33SS*.G310 helixtrans-68.2-12.4179.3-20.334.3000115.3G260 L262G260-P264 WeakPolarHBondContact O-CD 3.28Å; L262-P264 VanDerWaalsContact C-N 3.32Å; L262-P264 VanDerWaalsContact O-N 3.11Å
265L88.4Confident87.9Confident116 Ų11664.3 Ų64.361%0.60737%0.372SS*.G310 helixtrans-104.7-11.1-176.5-55.1177.9000113T205 L262 V263T205-L265 HydrophobicContact CG2-CB 3.86Å; T205-L265 HydrophobicContact CG2-CD1 3.89Å; L262-L265 WeakPolarHBondContact O-CB 3.32Å; L262-L265 PolarHBondContact O-N 3.43Å; V263-L265 PolarHBondContact O-N 3.37Å
266L90.6Very high87.7Confident18 Ų1864.6 Ų64.69%0.09437%0.373CS..  trans-92.4143.7-175.6-61.1172.5000110.8F202 V206 L262 V263 N268 C270 F290F202-L266 HydrophobicContact CD2-CD2 3.71Å; F202-L266 HydrophobicContact CE2-CD2 3.67Å; V206-L266 HydrophobicContact CG2-CD2 3.89Å; L262-L266 HydrophobicContact CB-CD1 4.19Å; L262-L266 WeakPolarHBondContact O-CG 3.18Å; L262-L266 PolarHBondContact O-N 3.26Å; V263-L266 PolarHBondContact O-N 2.98Å; L266-N268 VanDerWaalsContact C-N 3.33Å; L266-N268 PolarHBondContact O-N 3.01Å; L266-C270 VanDerWaalsContact CD1-SG 3.58Å; L266-F290 HydrophobicContact CD1-CE2 3.49Å; L266-F290 VanDerWaalsContact CD1-CE2 3.49Å; L266-F290 HydrophobicContact CD1-CZ 3.62Å
267P89Confident87.7Confident77 Ų7765.5 Ų65.550%0.538%0.376SS..SBendtrans-73.4-26.9-175.130.4-35.4000112.7F202 L283F202-P267 HydrophobicContact CD2-CG 4.03Å; F202-P267 HydrophobicContact CE2-CG 4.46Å; P267-L283 HydrophobicContact CG-CD1 4.08Å; P267-L283 HydrophobicContact CG-CG 4.15Å
268N90.9Very high88Confident56 Ų5663.1 Ų63.130%0.29936%0.361SS..SBendtrans-108.9146.4179.8-71.9-42000110.3L266 T280 E281 D282L266-N268 VanDerWaalsContact C-N 3.33Å; L266-N268 PolarHBondContact O-N 3.01Å; N268-T280 WeakPolarHBondContact CB-OG1 3.39Å; N268-T280 PolarHBondContact O-OG1 3.48Å; N268-E281 PolarHBondContact ND2-O 3.07Å; N268-D282 PolarHBondContact ND2-O 3.45Å; N268-D282 VanDerWaalsContact ND2-O 3.14Å
269P89.3Confident88.4Confident105 Ų10559.8 Ų59.868%0.68235%0.346SS*.PPolyproline II helixtrans-62149.517727.4-35000111.2T280P269-T280 PolarHBondContact O-OG1 2.88Å
270C91.9Very high88.8Confident15 Ų1559.9 Ų59.910%0.10135%0.346CS..PPolyproline II helixtrans-103.1124.7173.3-64.10000109.9V263 L266 W278 Q279V263-C270 HydrophobicContact CG1-CB 4.12Å; V263-C270 HydrophobicContact CG2-CB 3.75Å; L266-C270 VanDerWaalsContact CD1-SG 3.58Å; C270-W278 HydrophobicContact CB-CE3 4.12Å; C270-Q279 CarbonylContact C-O 3.6Å; C270-Q279 VanDerWaalsContact CA-O 3.31Å; C270-Q279 WeakPolarHBondContact CA-O 3.4Å
271T90.8Very high89.3Confident74 Ų7461.3 Ų61.345%0.45434%0.34SS..EExtended strand (participates in β ladder)trans-102.3133.4175.3500000110.4W278 Q279T271-W278 CarbonylContact O-C 3.59Å; T271-W278 WeakPolarHBondContact O-CA 3.22Å; T271-Q279 PolarHBondContact N-O 3.37Å; T271-Q279 PolarHBondContact O-N 2.74Å; T271-Q279 PolarHBondContact OG1-O 2.86Å
272P89.7Confident89.7Confident82 Ų8255.8 Ų55.853%0.53231%0.314SS..EExtended strand (participates in β ladder)trans-71133.517228.9-31.8000109.5W278P272-W278 HydrophobicContact CB-CD2 3.94Å; P272-W278 HydrophobicContact CB-CE3 3.97Å; P272-W278 HydrophobicContact CB-CH2 4.04Å; P272-W278 HydrophobicContact CB-CZ2 4Å; P272-W278 HydrophobicContact CB-CZ3 4.03Å; P272-W278 HydrophobicContact CG-CE3 4.43Å; P272-W278 HydrophobicContact CG-CH2 4.22Å; P272-W278 HydrophobicContact CG-CZ3 4.12Å
273I87.3Confident89.8Confident24 Ų2457.8 Ų57.812%0.12333%0.325CS..SBendtrans-115.2-12.3172.768.8155.9000112.6R277 Q279 L289 G428I273-R277 HydrophobicContact CD1-CB 3.99Å; I273-R277 HydrophobicContact CG1-CB 3.6Å; I273-R277 WeakPolarHBondContact CG1-O 3.21Å; I273-R277 PolarHBondContact N-O 2.88Å; I273-Q279 HydrophobicContact CG2-CB 3.84Å; I273-L289 HydrophobicContact CD1-CD2 3.52Å; I273-L289 HydrophobicContact CG1-CD2 4.22Å; I273-G428 WeakPolarHBondContact O-CA 3.49Å
274S85.5Confident90Very high27 Ų2756.3 Ų56.319%0.18932%0.316CS..SBendtrans-156.3-176.8161.682.20000109.7T276 R277 T423S274-T276 PolarHBondContact O-N 3.3Å; S274-T276 PolarHBondContact OG-N 2.63Å; S274-T276 VanDerWaalsContact OG-N 3.09Å; S274-R277 PolarHBondContact N-O 3.09Å; S274-R277 WeakPolarHBondContact OG-CB 3.44Å; S274-R277 PolarHBondContact OG-N 3.01Å; S274-T423 WeakPolarHBondContact CB-OG1 3.46Å
275N83.3Confident90.2Very high166 Ų16654.6 Ų54.689%0.88831%0.306SS*.SBendtrans-60.7-26172.3-62.1-29.5000113
276T85.8Confident90.4Very high25 Ų2549.4 Ų49.415%0.15328%0.279CS..SBendtrans-118.9-10.9-176.161.40000114S274 Q291 V292 E420S274-T276 PolarHBondContact O-N 3.3Å; S274-T276 PolarHBondContact OG-N 2.63Å; S274-T276 VanDerWaalsContact OG-N 3.09Å; T276-Q291 PolarHBondContact O-NE2 3.06Å; T276-Q291 PolarHBondContact OG1-NE2 2.73Å; T276-V292 PolarHBondContact O-N 3.34Å; T276-E420 PolarHBondContact OG1-OE2 3.17Å
277R90.4Very high90.5Very high29 Ų2950.4 Ų50.411%0.10928%0.282CS..EExtended strand (participates in β ladder)trans-118.1130.5-179.5-68177.8178.8174.62112.2I273 S274 F290 E422 T423I273-R277 HydrophobicContact CD1-CB 3.99Å; I273-R277 HydrophobicContact CG1-CB 3.6Å; I273-R277 WeakPolarHBondContact CG1-O 3.21Å; I273-R277 PolarHBondContact N-O 2.88Å; S274-R277 PolarHBondContact N-O 3.09Å; S274-R277 WeakPolarHBondContact OG-CB 3.44Å; S274-R277 PolarHBondContact OG-N 3.01Å; R277-F290 WeakPolarHBondContact CA-O 3.46Å; R277-E422 IonicContact CZ-OE1 3.75Å; R277-E422 VanDerWaalsContact CZ-OE1 3.23Å; R277-E422 IonicContact NH1-OE1 3.28Å; R277-E422 PolarHBondContact NH1-OE1 3.22Å; R277-E422 IonicContact NH2-OE1 2.82Å; R277-E422 PolarHBondContact NH2-OE1 2.7Å; R277-T423 PolarHBondContact NH1-O 3.18Å
278W92.5Very high90.8Very high76 Ų7646.7 Ų46.729%0.28826%0.258SS..EExtended strand (participates in β ladder)trans-123.4149.5173.9-67.267.9000110.3V259 C270 T271 P272 L289 F290V259-W278 HydrophobicContact CB-CG 4.36Å; V259-W278 HydrophobicContact CG1-CB 4.2Å; V259-W278 HydrophobicContact CG1-CD2 3.77Å; V259-W278 HydrophobicContact CG1-CE3 4.11Å; V259-W278 HydrophobicContact CG1-CG 3.81Å; V259-W278 HydrophobicContact CG2-CB 4.4Å; V259-W278 HydrophobicContact CG2-CG 4.17Å; C270-W278 HydrophobicContact CB-CE3 4.12Å; T271-W278 CarbonylContact O-C 3.59Å; T271-W278 WeakPolarHBondContact O-CA 3.22Å; P272-W278 HydrophobicContact CB-CD2 3.94Å; P272-W278 HydrophobicContact CB-CE3 3.97Å; P272-W278 HydrophobicContact CB-CH2 4.04Å; P272-W278 HydrophobicContact CB-CZ2 4Å; P272-W278 HydrophobicContact CB-CZ3 4.03Å; P272-W278 HydrophobicContact CG-CE3 4.43Å; P272-W278 HydrophobicContact CG-CH2 4.22Å; P272-W278 HydrophobicContact CG-CZ3 4.12Å; W278-L289 CarbonylContact O-C 3.5Å; W278-L289 VanDerWaalsContact O-CA 3.27Å; W278-L289 WeakPolarHBondContact O-CA 3.3Å; W278-L289 WeakPolarHBondContact O-CD2 3.14Å; W278-F290 HydrophobicContact CB-CB 4.42Å; W278-F290 PolarHBondContact N-O 2.86Å; W278-F290 PolarHBondContact O-N 3.14Å
279Q93.4Very high91Very high36 Ų3644.1 Ų44.117%0.16824%0.244CC..EExtended strand (participates in β ladder)trans-118144.3-179.5-172.6-176.1-39.400111.5C270 T271 I273 V288 L289C270-Q279 CarbonylContact C-O 3.6Å; C270-Q279 VanDerWaalsContact CA-O 3.31Å; C270-Q279 WeakPolarHBondContact CA-O 3.4Å; T271-Q279 PolarHBondContact N-O 3.37Å; T271-Q279 PolarHBondContact O-N 2.74Å; T271-Q279 PolarHBondContact OG1-O 2.86Å; I273-Q279 HydrophobicContact CG2-CB 3.84Å; Q279-V288 WeakPolarHBondContact CA-O 3.47Å; Q279-L289 HydrophobicContact CB-CD2 3.73Å; Q279-L289 HydrophobicContact CG-CD2 4.05Å
280T94.6Very high91.2Very high6 Ų639.1 Ų39.14%0.03721%0.212CC..EExtended strand (participates in β ladder)trans-148.7-173.2165.1-161.80000109.9F202 N268 P269 V288 F290F202-T280 HydrophobicContact CZ-CG2 4.31Å; N268-T280 WeakPolarHBondContact CB-OG1 3.39Å; N268-T280 PolarHBondContact O-OG1 3.48Å; P269-T280 PolarHBondContact O-OG1 2.88Å; T280-V288 HydrophobicContact CG2-CB 3.96Å; T280-V288 HydrophobicContact CG2-CG1 4.15Å; T280-V288 PolarHBondContact N-O 3.49Å; T280-V288 PolarHBondContact O-N 3.23Å; T280-V288 VanDerWaalsContact O-O 3.04Å; T280-F290 HydrophobicContact CG2-CE2 3.51Å; T280-F290 HydrophobicContact CG2-CZ 3.68Å
281E94.4Very high91.2Very high78 Ų7840 Ų4036%0.36422%0.215SC..EExtended strand (participates in β ladder)trans-126.4152.1171.6-65.2-177.9-176.500109.8N268 N286N268-E281 PolarHBondContact ND2-O 3.07Å; E281-N286 VanDerWaalsContact CA-O 3.28Å; E281-N286 WeakPolarHBondContact CA-O 3.45Å
282D93.3Very high91.1Very high5 Ų538 Ų383%0.02720%0.203CC..  trans-79-176.1170.177.33000112F202 Y203 N268 D284 S285 N286 V288F202-D282 HydrophobicContact CD1-CB 4.31Å; F202-D282 HydrophobicContact CE1-CB 3.88Å; F202-D282 HydrophobicContact CZ-CB 4.15Å; Y203-D282 HydrophobicContact CE2-CB 4.45Å; Y203-D282 PolarHBondContact OH-OD2 2.89Å; Y203-D282 VanDerWaalsContact OH-OD2 3.06Å; N268-D282 PolarHBondContact ND2-O 3.45Å; N268-D282 VanDerWaalsContact ND2-O 3.14Å; D282-D284 PolarHBondContact O-N 2.85Å; D282-D284 VanDerWaalsContact OD1-C 3.22Å; D282-D284 WeakPolarHBondContact OD1-CA 3.32Å; D282-D284 PolarHBondContact OD1-N 2.92Å; D282-S285 PolarHBondContact O-N 3.26Å; D282-S285 PolarHBondContact OD1-N 3.31Å; D282-N286 PolarHBondContact N-O 3.4Å; D282-N286 VanDerWaalsContact N-O 3.07Å; D282-N286 PolarHBondContact OD1-N 2.83Å; D282-N286 PolarHBondContact OD1-ND2 2.74Å; D282-N286 WeakPolarHBondContact OD2-CB 3.36Å; D282-N286 PolarHBondContact OD2-ND2 3.16Å; D282-V288 HydrophobicContact CB-CG2 4.42Å
283L91.1Very high90.7Very high47 Ų4738.1 Ų38.125%0.24620%0.195CC..THydrogen-bonded Turntrans-71-15.6-178.9-67.6102.7000114.4N195 D198 A199 F202 P267N195-L283 HydrophobicContact CB-CB 4.19Å; N195-L283 PolarHBondContact ND2-O 3.31Å; D198-L283 HydrophobicContact CB-CD1 4.18Å; D198-L283 HydrophobicContact CB-CD2 3.56Å; A199-L283 HydrophobicContact CB-CD1 4.33Å; F202-L283 HydrophobicContact CB-CD1 4.06Å; F202-L283 HydrophobicContact CG-CD1 4.48Å; P267-L283 HydrophobicContact CG-CD1 4.08Å; P267-L283 HydrophobicContact CG-CG 4.15Å
284D90.1Very high89.7Confident18 Ų1839.8 Ų39.810%0.09621%0.212CC..THydrogen-bonded Turntrans-110.122.2176.6-59.5-76000111.2S191 S192 N195 V244 A246 D282 N286S191-D284 VanDerWaalsContact CA-OD2 3.28Å; S191-D284 WeakPolarHBondContact CA-OD2 3.23Å; S191-D284 VanDerWaalsContact CB-OD2 3.25Å; S191-D284 WeakPolarHBondContact CB-OD2 3.44Å; S191-D284 PolarHBondContact OG-OD2 3.46Å; S192-D284 WeakPolarHBondContact CB-OD1 3.49Å; S192-D284 PolarHBondContact N-OD1 3.28Å; S192-D284 PolarHBondContact OG-OD1 2.8Å; S192-D284 VanDerWaalsContact OG-OD1 3.06Å; N195-D284 PolarHBondContact ND2-OD1 3.22Å; V244-D284 HydrophobicContact CB-CB 4.32Å; V244-D284 HydrophobicContact CG1-CB 3.97Å; A246-D284 WeakPolarHBondContact CB-O 3.2Å; D282-D284 PolarHBondContact O-N 2.85Å; D282-D284 VanDerWaalsContact OD1-C 3.22Å; D282-D284 WeakPolarHBondContact OD1-CA 3.32Å; D282-D284 PolarHBondContact OD1-N 2.92Å; D284-N286 PolarHBondContact O-N 2.8Å
285S91.1Very high88.2Confident67 Ų6744 Ų4447%0.46924%0.238SC..  trans63.127.1175.7-66.60000116.9A246 D282A246-S285 WeakPolarHBondContact CB-O 2.95Å; D282-S285 PolarHBondContact O-N 3.26Å; D282-S285 PolarHBondContact OD1-N 3.31Å
286N92.8Very high86.6Confident6 Ų640.4 Ų40.43%0.03223%0.232CC..  trans-77.1137.3170.2-57.3-62.5000111S97 C247 E281 D282 D284 V288S97-N286 WeakPolarHBondContact CB-OD1 3.38Å; S97-N286 PolarHBondContact OG-OD1 2.67Å; C247-N286 PolarHBondContact N-OD1 3.49Å; E281-N286 VanDerWaalsContact CA-O 3.28Å; E281-N286 WeakPolarHBondContact CA-O 3.45Å; D282-N286 PolarHBondContact N-O 3.4Å; D282-N286 VanDerWaalsContact N-O 3.07Å; D282-N286 PolarHBondContact OD1-N 2.83Å; D282-N286 PolarHBondContact OD1-ND2 2.74Å; D282-N286 WeakPolarHBondContact OD2-CB 3.36Å; D282-N286 PolarHBondContact OD2-ND2 3.16Å; D284-N286 PolarHBondContact O-N 2.8Å; N286-V288 PolarHBondContact O-N 2.61Å
287K93.9Very high84.4Confident39 Ų3946.9 Ų46.917%0.1726%0.261CS..EExtended strand (participates in β ladder)trans-66.3126.3177-70.4-171.3168.6-158.40110.9L47 V251 L252 D426L47-K287 HydrophobicContact CD1-CD 4.38Å; V251-K287 WeakPolarHBondContact CA-O 3.49Å; V251-K287 HydrophobicContact CB-CB 4.26Å; V251-K287 HydrophobicContact CG1-CB 3.92Å; V251-K287 HydrophobicContact CG2-CB 3.94Å; V251-K287 HydrophobicContact CG2-CD 3.86Å; L252-K287 PolarHBondContact N-O 3.28Å; K287-D426 IonicContact NZ-OD1 2.86Å; K287-D426 PolarHBondContact NZ-OD1 2.8Å
288V95.3Very high82Confident0 Ų050.5 Ų50.50%029%0.288CS..EExtended strand (participates in β ladder)trans-120.8136.4176176.50000109.6F202 L252 F254 Q279 T280 D282 N286 F290F202-V288 HydrophobicContact CE1-CG2 4.22Å; F202-V288 HydrophobicContact CZ-CG1 4.46Å; F202-V288 HydrophobicContact CZ-CG2 4.2Å; L252-V288 HydrophobicContact CD1-CG2 4.46Å; L252-V288 CarbonylContact O-C 3.56Å; L252-V288 WeakPolarHBondContact O-CA 3.46Å; F254-V288 HydrophobicContact CD2-CG1 3.86Å; F254-V288 HydrophobicContact CE2-CG1 3.96Å; Q279-V288 WeakPolarHBondContact CA-O 3.47Å; T280-V288 HydrophobicContact CG2-CB 3.96Å; T280-V288 HydrophobicContact CG2-CG1 4.15Å; T280-V288 PolarHBondContact N-O 3.49Å; T280-V288 PolarHBondContact O-N 3.23Å; T280-V288 VanDerWaalsContact O-O 3.04Å; D282-V288 HydrophobicContact CB-CG2 4.42Å; N286-V288 PolarHBondContact O-N 2.61Å; V288-F290 HydrophobicContact CG1-CD1 4.28Å; V288-F290 HydrophobicContact CG1-CE1 3.57Å; V288-F290 HydrophobicContact CG1-CZ 3.75Å
289L94.6Very high79.6Confident1 Ų157.9 Ų57.91%0.00532%0.316CS..EExtended strand (participates in β ladder)trans-116.9144.3171.3-74172.3000110.4V251 L252 Q253 F254 I273 W278 Q279 V425V251-L289 HydrophobicContact CG1-CB 4.2Å; V251-L289 HydrophobicContact CG1-CD1 3.55Å; V251-L289 HydrophobicContact CG1-CG 3.51Å; L252-L289 PolarHBondContact O-N 2.79Å; Q253-L289 CarbonylContact C-O 3.55Å; Q253-L289 WeakPolarHBondContact CA-O 3.28Å; Q253-L289 HydrophobicContact CB-CB 4.08Å; Q253-L289 HydrophobicContact CG-CB 4.11Å; F254-L289 PolarHBondContact N-O 3.06Å; I273-L289 HydrophobicContact CD1-CD2 3.52Å; I273-L289 HydrophobicContact CG1-CD2 4.22Å; W278-L289 CarbonylContact O-C 3.5Å; W278-L289 VanDerWaalsContact O-CA 3.27Å; W278-L289 WeakPolarHBondContact O-CA 3.3Å; W278-L289 WeakPolarHBondContact O-CD2 3.14Å; Q279-L289 HydrophobicContact CB-CD2 3.73Å; Q279-L289 HydrophobicContact CG-CD2 4.05Å; L289-V425 HydrophobicContact CD1-CB 3.92Å; L289-V425 HydrophobicContact CD1-CG1 3.97Å
290F94Very high77.1Confident0 Ų063.4 Ų63.40%034%0.342CS..EExtended strand (participates in β ladder)trans-112.9116.3168.5-54.5-53.3000108.9V206 F254 V256 V259 L266 R277 W278 T280 V288V206-F290 HydrophobicContact CB-CE1 4.34Å; V206-F290 HydrophobicContact CG1-CD1 4.39Å; V206-F290 HydrophobicContact CG1-CE1 3.73Å; V206-F290 HydrophobicContact CG2-CE1 3.66Å; V206-F290 HydrophobicContact CG2-CZ 3.88Å; F254-F290 HydrophobicContact CB-CD1 4.27Å; F254-F290 HydrophobicContact CD2-CE1 4.47Å; V256-F290 HydrophobicContact CG1-CB 4.46Å; V256-F290 HydrophobicContact CG1-CD1 4.05Å; V256-F290 HydrophobicContact CG2-CB 3.9Å; V259-F290 HydrophobicContact CG2-CB 3.7Å; V259-F290 HydrophobicContact CG2-CG 4.46Å; L266-F290 HydrophobicContact CD1-CE2 3.49Å; L266-F290 VanDerWaalsContact CD1-CE2 3.49Å; L266-F290 HydrophobicContact CD1-CZ 3.62Å; R277-F290 WeakPolarHBondContact CA-O 3.46Å; W278-F290 HydrophobicContact CB-CB 4.42Å; W278-F290 PolarHBondContact N-O 2.86Å; W278-F290 PolarHBondContact O-N 3.14Å; T280-F290 HydrophobicContact CG2-CE2 3.51Å; T280-F290 HydrophobicContact CG2-CZ 3.68Å; V288-F290 HydrophobicContact CG1-CD1 4.28Å; V288-F290 HydrophobicContact CG1-CE1 3.57Å; V288-F290 HydrophobicContact CG1-CZ 3.75Å
291Q91.3Very high74.6Confident35 Ų3568.1 Ų68.116%0.16437%0.372CS..EExtended strand (participates in β ladder)trans-90.5112.2168.8-177.566.860.800107.6Q253 F254 V256 T276 K293Q253-Q291 HydrophobicContact CG-CB 4.08Å; Q253-Q291 VanDerWaalsContact NE2-OE1 3.1Å; F254-Q291 PolarHBondContact O-N 2.84Å; V256-Q291 PolarHBondContact N-O 2.99Å; T276-Q291 PolarHBondContact O-NE2 3.06Å; T276-Q291 PolarHBondContact OG1-NE2 2.73Å; Q291-K293 PolarHBondContact O-N 3.3Å
292V88.2Confident72.2Confident32 Ų3272 Ų7219%0.19440%0.395CS..EExtended strand (participates in β ladder)trans-64123.6167.4179.20000107.4V259 T276 A294V259-V292 HydrophobicContact CB-CG2 4.39Å; V259-V292 HydrophobicContact CG2-CG2 3.7Å; T276-V292 PolarHBondContact O-N 3.34Å; V292-A294 PolarHBondContact O-N 2.77Å
293K81.6Confident69.8Low84 Ų8477.5 Ų77.537%0.36543%0.428SS..  trans-65.5112.4166.6-64.6173.8-159.9167.10107.3S255 V256 E257 Q291S255-K293 WeakPolarHBondContact O-CE 3.25Å; V256-K293 WeakPolarHBondContact O-CG 3.13Å; V256-K293 PolarHBondContact O-N 2.95Å; E257-K293 HydrophobicContact CG-CD 4.23Å; E257-K293 IonicContact OE1-NZ 3.79Å; E257-K293 PolarHBondContact OE1-NZ 2.7Å; Q291-K293 PolarHBondContact O-N 3.3Å
294A66.5Low67.6Low59 Ų5979.7 Ų79.749%0.48845%0.446SS..  trans-52.9129.9170.400000109V292 A296V292-A294 PolarHBondContact O-N 2.77Å; A294-A296 PolarHBondContact O-N 2.62Å
295P55Low65.3Low114 Ų11483 Ų8374%0.7448%0.476SS*.  trans-61.3115.7-179.724.7-33000107.9Q297P295-Q297 PolarHBondContact O-N 2.97Å
296A48.6Very low63Low92 Ų9287.7 Ų87.776%0.7649%0.489SS*.  trans-56.3103.8-176.300000108.8A294 P298A294-A296 PolarHBondContact O-N 2.62Å; A296-P298 WeakPolarHBondContact O-CD 3.42Å; A296-P298 VanDerWaalsContact O-N 3.08Å
297Q40.1Very low60.4Low161 Ų16193.2 Ų93.275%0.75253%0.525SS*.  trans-56.1122.3-165.2-70.7-168.621.400109.1P295 R299P295-Q297 PolarHBondContact O-N 2.97Å; Q297-R299 PolarHBondContact O-N 3.02Å
298P40.6Very low57.6Low105 Ų10598.7 Ų98.768%0.68256%0.555SS**  trans-59119.5165.526.1-31.4000105.2A296 Q300A296-P298 WeakPolarHBondContact O-CD 3.42Å; A296-P298 VanDerWaalsContact O-N 3.08Å; P298-Q300 VanDerWaalsContact C-N 3.28Å; P298-Q300 PolarHBondContact O-N 3.18Å
299R41Very low54.7Low231 Ų231104.9 Ų104.987%0.87259%0.593SS**  trans-55.995.9-179.8-84.5-176166.5138.7-1.9108.5Q297 P301Q297-R299 PolarHBondContact O-N 3.02Å; R299-P301 VanDerWaalsContact O-CD 3.22Å; R299-P301 WeakPolarHBondContact O-CD 3.46Å; R299-P301 VanDerWaalsContact O-N 3.14Å
300Q41Very low51.9Low152 Ų152110.2 Ų110.271%0.7163%0.629SS**  trans-64.3117.2177.5-66.5-172.50.600106P298 L302P298-Q300 VanDerWaalsContact C-N 3.28Å; P298-Q300 PolarHBondContact O-N 3.18Å; Q300-L302 PolarHBondContact O-N 3.06Å
301P43.1Very low49.1Very low104 Ų104118.3 Ų118.368%0.67567%0.671SS**  trans-60119.4163.926.7-30.6000105.4R299 T303R299-P301 VanDerWaalsContact O-CD 3.22Å; R299-P301 WeakPolarHBondContact O-CD 3.46Å; R299-P301 VanDerWaalsContact O-N 3.14Å; P301-T303 PolarHBondContact O-N 2.84Å; P301-T303 PolarHBondContact O-OG1 2.96Å
302L43.8Very low46.3Very low160 Ų160122.3 Ų122.384%0.83870%0.704SS**  trans-65.379.8-176.6-69.9175.7000109.6Q300 C304Q300-L302 PolarHBondContact O-N 3.06Å; L302-C304 PolarHBondContact O-N 2.95Å
303T43Very low43.9Very low120 Ų120128.6 Ų128.674%0.73674%0.735SS**  trans-85.474-172.3-51.50000107P301 A305P301-T303 PolarHBondContact O-N 2.84Å; P301-T303 PolarHBondContact O-OG1 2.96Å; T303-A305 PolarHBondContact O-N 3.35Å; T303-A305 VanDerWaalsContact O-N 3.15Å
304C43.9Very low41.7Very low93 Ų93129.8 Ų129.863%0.62875%0.752SS**  trans-57.5118.5177.648.60000109.7L302 F306L302-C304 PolarHBondContact O-N 2.95Å; C304-F306 PolarHBondContact O-N 2.94Å
305A42.3Very low40.4Very low87 Ų87133 Ų13372%0.71977%0.768SS**SBendtrans-71.24.5-179.400000113.7T303T303-A305 PolarHBondContact O-N 3.35Å; T303-A305 VanDerWaalsContact O-N 3.15Å
306F42.2Very low39.5Very low167 Ų167137 Ų13773%0.73278%0.776SS**SBendtrans-134.5124.7-179.2-57.3-73.8000109.2C304 L308C304-F306 PolarHBondContact O-N 2.94Å; F306-L308 PolarHBondContact O-N 3.28Å
307P38.2Very low38.7Very low121 Ų121136.1 Ų136.179%0.78678%0.776SS**  trans-67.3122.617527.9-32.9000109.5T309P307-T309 PolarHBondContact O-N 3.42Å; P307-T309 VanDerWaalsContact O-N 3.14Å
308L35.9Very low38.6Very low154 Ų154135.5 Ų135.581%0.80678%0.783SS**  trans-67.2111.8172.8-73.9171.5000109.3F306 C310F306-L308 PolarHBondContact O-N 3.28Å; L308-C310 PolarHBondContact O-N 2.86Å
309T34.5Very low38.2Very low131 Ų131138.9 Ų138.980%0.80479%0.79SS**  trans-63.698.3177-46.50000110.2P307 L311P307-T309 PolarHBondContact O-N 3.42Å; P307-T309 VanDerWaalsContact O-N 3.14Å; T309-L311 PolarHBondContact O-N 2.81Å
310C35.1Very low37.8Very low112 Ų112135.2 Ų135.276%0.75779%0.786SS**  trans-59.6120.6175.9-61.10000110.1L308 S312L308-C310 PolarHBondContact O-N 2.86Å; C310-S312 PolarHBondContact O-N 2.81Å; C310-S312 VanDerWaalsContact O-N 3.09Å
311L34.2Very low37.3Very low170 Ų170138.4 Ų138.489%0.8979%0.792SS**  trans-70.1104.8177.1-74.3169000110.1T309 L313T309-L311 PolarHBondContact O-N 2.81Å; L311-L313 PolarHBondContact O-N 2.83Å
312S33.8Very low36.7Very low120 Ų120137.3 Ų137.384%0.83979%0.787SS**  trans-70.7106.2179.7-57.30000112C310C310-S312 PolarHBondContact O-N 2.81Å; C310-S312 VanDerWaalsContact O-N 3.09Å
313L37.8Very low36Very low163 Ų163137.2 Ų137.285%0.85379%0.787SS**PPolyproline II helixtrans-78.3126.2162.7-80.3164.2000109.6L311L311-L313 PolarHBondContact O-N 2.83Å
314P35.7Very low35.3Very low110 Ų110134.2 Ų134.271%0.71478%0.78SS**PPolyproline II helixtrans-78.2136.9-177.630.5-34000111.6Q316P314-Q316 PolarHBondContact O-N 3.43Å
315P37.7Very low34.8Very low127 Ų127139.6 Ų139.683%0.82580%0.796SS**PPolyproline II helixtrans-70.9124.6169.629.4-32.6000109.9G317P315-G317 PolarHBondContact O-N 3.28Å
316Q37.3Very low34.1Very low197 Ų197138.6 Ų138.692%0.92179%0.793SS**PPolyproline II helixtrans-72.1117.1177.2-164.3169.81500109.6P314P314-Q316 PolarHBondContact O-N 3.43Å
317G31.3Very low33.5Very low73 Ų73138 Ų13875%0.75380%0.798SS**PPolyproline II helixtrans-77.4148.9-168.900000114.9P315P315-G317 PolarHBondContact O-N 3.28Å
318V38.1Very low33.1Very low148 Ų148136.1 Ų136.190%0.89779%0.788SS**  trans-119.8133.6157.7178.10000107.5
319Q33.1Very low32.8Very low177 Ų177138.2 Ų138.283%0.82779%0.79SS**  trans-117.7120.5-164.7-177.8-171.833.900112.4
320L31Very low32.7Very low153 Ų153139.8 Ų139.880%0.80179%0.793SS**  trans-142.1123.8148.9-82.5110.2000106
321R31.1Very low33.2Very low219 Ų219139.7 Ų139.783%0.82679%0.791SS**  53.8127.284.3-72.8-166.1-173.5-111.48.7112.2
322S30.2Very low32.8Very low81 Ų81137.9 Ų137.957%0.56679%0.791SS**  cis-160.2159.67.5-144.70000110.5
323D30.3Very low32.5Very low158 Ų158135.7 Ų135.785%0.84579%0.787SS**  trans53145.3155.7-50.1-56.3000119.8
324G28.8Very low32Very low57 Ų57134.1 Ų134.159%0.58878%0.784SS**  cis159.1140.7-1.800000110.1
325H33.5Very low31.6Very low207 Ų207135 Ų13596%0.95879%0.788SS**  trans64.2151.9-167.5-54.977.5000114.2
326G27Very low31.1Very low65 Ų65133.3 Ų133.367%0.6779%0.785SS**  cis170.7162.3-8.800000112
327N30.2Very low30.6Very low155 Ų155129 Ų12983%0.82978%0.776SS**  trans53.898.4158.8-70.66.6000120.7
328S28.2Very low30.6Very low82 Ų82132.8 Ų132.857%0.57378%0.779SS**  64.5153.8115.364.20000123.7
329F29.3Very low30Very low197 Ų197131 Ų13186%0.86477%0.768SS**  trans87108.3158-54.8-58.7000120.5
330L33.4Very low29.8Very low165 Ų165130.7 Ų130.786%0.86477%0.769SS**  trans-69163.2133.3-72.6159.1000109
331P44.7Very low29.7Very low110 Ų110130.5 Ų130.571%0.71476%0.764SS**  cis-148.2-174.129.144.1-23.6000117.9
332C27.4Very low29.7Very low132 Ų132126.9 Ų126.989%0.89277%0.766SS**  trans28131.4147.5-65.30000124.1
333G25.8Very low29.5Very low73 Ų73129.1 Ų129.175%0.75377%0.767SS**  trans127.8159.1140.700000116.2
334V28.3Very low29.4Very low130 Ų130131.6 Ų131.679%0.78877%0.765SS**  cis-170.5143.7-29.8113.60000108.6
335T27.5Very low29.4Very low130 Ų130140 Ų14080%0.79878%0.779SS**  trans63.2154.7167.550.30000122.6
336A27.7Very low29.1Very low91 Ų91133.3 Ų133.375%0.75277%0.765SS**  trans75.5149152.800000119.2
337S25.8Very low29.3Very low107 Ų107138.4 Ų138.475%0.74878%0.775SS**  cis-170167.7-20.3-1030000111.4
338L30.9Very low29.4Very low152 Ų152142 Ų14280%0.79678%0.777SS**  trans67.3105.7154-74.6168.5000121.1
339T26.2Very low30.2Very low109 Ų109143.1 Ų143.167%0.66978%0.782SS**  47.8132.2126.358.30000122.7
340M28.7Very low30.1Very low172 Ų172145 Ų14585%0.84778%0.784SS**  -138144.7127.1-126.2-67.5106.500110.3
341Q29.9Very low29.9Very low149 Ų149142 Ų14270%0.69678%0.776SS**  trans-130.4131.4179.4-79.1-169.9-3.500111.3
342T29.7Very low29.2Very low142 Ų142144 Ų14487%0.87178%0.776SS**  trans-150.2107.615640.40000107.2
343H25.9Very low30Very low128 Ų128143.2 Ų143.259%0.59377%0.77SS**  cis97.99026.7-172.1-86.4000115.6
344R28.9Very low30.2Very low210 Ų210145.1 Ų145.179%0.79277%0.766SS**  trans56145.4157.9-55.1-176179.2161.5-6.1117.4
345R28.4Very low30.2Very low235 Ų235146.1 Ų146.189%0.88777%0.766SS**  cis-148.9170.329.9-62.2171.6171.3-177.2-4.1108.6
346G27.4Very low30.3Very low65 Ų65145.8 Ų145.867%0.6776%0.756SS**  cis108.696.60.100000114.6
347I30.3Very low30.5Very low172 Ų172149.9 Ų149.988%0.88276%0.757SS**  trans-178.3151.1156.4-98.6151.7000111.9
348R33.5Very low30.7Very low232 Ų232150.7 Ų150.788%0.87575%0.752SS**  trans-141.9170.6168-138.9-166174.4-166.90.5105.3
349P45.5Very low30.7Very low104 Ų104151.3 Ų151.368%0.67576%0.755SS**  cis-141.3-1531.545.1-24.5000114.7
350R26.3Very low30.8Very low237 Ų237149.6 Ų149.689%0.89476%0.759SS**  trans76.8153.5165.9-114-178.4179.2168.2-1.6115.5
351S28.5Very low30.8Very low101 Ų101144.8 Ų144.871%0.70675%0.754SS**  cis-147.6166.49.9-60.50000114
352E30.8Very low30.6Very low153 Ų153144.6 Ų144.672%0.71577%0.767SS**  trans-63159.5157.5-99.1-80.6149.100112.9V354E352-V354 PolarHBondContact OE2-N 2.71Å
353P45Very low30.4Very low116 Ų116141.3 Ų141.375%0.75376%0.762SS**  -153.1131.493.537.4-17.4000119.4
354V28.4Very low30.5Very low113 Ų113139.1 Ų139.169%0.68577%0.773SS**  40.8127.1111.1-178.80000120.4E352E352-V354 PolarHBondContact OE2-N 2.71Å
355L29.1Very low30.6Very low150 Ų150132.9 Ų132.979%0.78577%0.767SS**  173.5106.2123.6-162.670000109.7
356E30Very low30.6Very low124 Ų124130.6 Ų130.658%0.57977%0.766SS**  88106.267.4-164.4-149.1-14100116.2L358E356-L358 HydrophobicContact CG-CD1 4.04Å
357K30.3Very low30.8Very low177 Ų177133.5 Ų133.577%0.7778%0.777SS**  173.3129.8128.2-94.2162.7-173.8175.10109.9
358L30.4Very low30.9Very low124 Ų124133.7 Ų133.765%0.64978%0.778SS**  cis68.6131.843.8-56.5175.2000112.1E356E356-L358 HydrophobicContact CG-CD1 4.04Å
359L30.9Very low30.6Very low165 Ų165126.2 Ų126.286%0.86477%0.774SS**  cis-153.7175.8-4.5-93.6154.1000105.6
360G28.3Very low29.9Very low73 Ų73127.5 Ų127.575%0.75379%0.785SS**  cis-179.7-167.25.100000106.4
361G28.3Very low30Very low71 Ų71119.8 Ų119.873%0.73278%0.779SS**  cis152.9127.6-2.200000111
362C25.9Very low30.2Very low144 Ų144121 Ų12197%0.97379%0.788SS**  trans64.7159.7175.9-61.40000117.5
363G26.7Very low30.1Very low74 Ų74119 Ų11976%0.76379%0.789SS**  cis154.1134-12.700000114.4
364G26.9Very low29.3Very low81 Ų81119.3 Ų119.384%0.83579%0.793SS**  trans78.7165179.300000114.7
365A30.6Very low29.5Very low80 Ų80119.4 Ų119.466%0.66180%0.799SS**  cis-160.6173.2-15.700000110.1
366E30Very low29.7Very low186 Ų186118.7 Ų118.787%0.86980%0.8SS**  trans24.5126157.267.6-149100.900123.2
367S31.4Very low31Very low127 Ų127118.4 Ų118.489%0.88881%0.81SS**  trans-162.1168.3139.9-161.60000112.6
368L31.2Very low31.7Very low176 Ų176115.7 Ų115.792%0.92181%0.81SS**  trans-113.9161.5-171.3-68.1146.3000112.5
369G28.2Very low31.5Very low75 Ų75112.9 Ų112.977%0.77381%0.811SS**  trans127.5126.5166.100000113.6
370S31.5Very low31.5Very low130 Ų130110.7 Ų110.791%0.90981%0.809SS**  cis125.3129.8-0.8-173.80000111.2
371G28.1Very low31.6Very low75 Ų75112.1 Ų112.177%0.77381%0.808SS**  trans90.1147.8179.300000114.6
372S31.5Very low31.6Very low127 Ų127114.6 Ų114.689%0.88881%0.813SS**  cis-155.8172.4-10.3-162.90000110.6
373C29.9Very low31.7Very low110 Ų110118.1 Ų118.174%0.74381%0.807SS**  trans-108.7171.6-165.7-56.70000115
374C27.7Very low32Very low123 Ų123120.4 Ų120.483%0.83181%0.811SS**  trans76.4151.6164.4-46.40000115.6
375S32.6Very low32.2Very low116 Ų116121.4 Ų121.481%0.81181%0.805SS**  cis-148.5171.511-55.50000112.5
376T33.4Very low32.3Very low134 Ų134127 Ų12782%0.82282%0.818SS**  trans-142.9175.6171.855.90000111.4
377P56.8Low32.3Very low119 Ų119129.6 Ų129.677%0.77382%0.82SS**  cis-106.8-97.1-29.629.4-9.5000109.6
378P45.4Very low32.3Very low120 Ų120129.4 Ų129.478%0.77982%0.818SS**  cis-123.4176.1-20.241.8-26.4000115.5
379G27.1Very low32.3Very low65 Ų65126.6 Ų126.667%0.6781%0.814SS**  trans114.8113.1164.800000114.3
380S30.7Very low33.2Very low118 Ų118129 Ų12983%0.82582%0.816SS**  71.7128.66274.10000114.2
381S30Very low33Very low103 Ų103127.6 Ų127.672%0.7281%0.812SS**  cis-173.4-172.6-248.50000111.1
382C28.8Very low33Very low124 Ų124132.9 Ų132.984%0.83882%0.816SS**  trans103.2127.6155.5-59.30000120
383Y28.2Very low32.8Very low218 Ų218134 Ų13486%0.85581%0.812SS**  trans-69.1153.9164.3-108.1-119.6000112
384S31.8Very low32.6Very low121 Ų121134.8 Ų134.885%0.84682%0.818SS**  trans-163.7137138.2-88.80000112.3
385S31.5Very low32.7Very low102 Ų102134.6 Ų134.671%0.71381%0.814SS**  trans-90.7146.3176.5-46.60000111.2
386Q33.3Very low32.5Very low198 Ų198134.7 Ų134.793%0.92581%0.814SS**  trans-159153.8151.1-118.1155.4105.900113.3
387R29.9Very low32.2Very low240 Ų240135.6 Ų135.691%0.90681%0.814SS**  trans-78.7147.7178.1-69.1171.9159-141.1-1.9110.9
388S30.3Very low31Very low123 Ų123138.6 Ų138.686%0.8682%0.817SS**  trans-166.1141136.9-860000112.5
389S31.1Very low30.6Very low118 Ų118137 Ų13783%0.82581%0.807SS**  trans-147.3163.7168.6-49.10000107.4
390P46.8Very low30.6Very low126 Ų126140.9 Ų140.982%0.81881%0.812SS**  cis-125.1161.8-4837-25.1000111.1
391A27.4Very low30.4Very low100 Ų100141 Ų14183%0.82681%0.813SS**  trans-136106178.800000114
392Q27.7Very low30.6Very low185 Ų185141.7 Ų141.786%0.86482%0.815SS**  trans22.9122.9151.5-57.3-167.1-8.100122
393L27.8Very low30.8Very low152 Ų152144 Ų14480%0.79682%0.818SS**  37.3118.9120.2-143.778.9000118.9T395L393-T395 HydrophobicContact CG-CG2 4.5Å
394S26.8Very low30.9Very low126 Ų126143.7 Ų143.788%0.88182%0.816SS**  trans-143.4120.6155.2-76.40000109.4
395T29.8Very low30.9Very low119 Ų119143.5 Ų143.573%0.7381%0.811SS**  trans-108.7125.3-17750.30000111L393L393-T395 HydrophobicContact CG-CG2 4.5Å
396S27.5Very low30.7Very low118 Ų118143.2 Ų143.283%0.82581%0.809SS**  trans-142.5132.4163.657.60000110.5
397N28.1Very low30.6Very low153 Ų153139.6 Ų139.682%0.81880%0.801SS**  trans-99.3138.6-179-45.1-75.9000109.9
398H30.7Very low30.5Very low182 Ų182133.9 Ų133.984%0.84379%0.792SS**  -170.8178.6124.6-118.9-46.1000111.4
399P37.4Very low30.4Very low87 Ų87138.4 Ų138.457%0.56579%0.791SS**  -124.4-178.1-116.947.4-33.6000116.5
400D27.4Very low30.3Very low146 Ų146137.6 Ų137.678%0.78179%0.785SS**  trans55.1104.6149.1-57.9-29.3000120.8
401S26.8Very low29.6Very low120 Ų120138.8 Ų138.884%0.83978%0.783SS**  trans-149.7152138-87.30000111.9
402P34.5Very low29.7Very low118 Ų118138.6 Ų138.677%0.76678%0.776SS**  trans-113.889.3-146.337.4-26.6000114.1
403L31.3Very low30.1Very low172 Ų172137 Ų13790%0.90177%0.768SS**  trans-134.790.6165.2-74178.3000110.8
404R30.7Very low30.3Very low212 Ų212138 Ų13880%0.877%0.774SS**  trans-118.7104.6177.3-163.3-173.2-160.6-141.76.9111.4
405P31.4Very low30.3Very low116 Ų116139.2 Ų139.275%0.75377%0.769SS**  trans-64.8130.9155.2-15.430.7000108.9V407P405-V407 PolarHBondContact O-N 3.14Å
406S27.6Very low30.4Very low96 Ų96142 Ų14267%0.67178%0.779SS**  trans-63.8131.6-179.7-62.90000111.6T408S406-T408 PolarHBondContact O-N 3.38Å
407V31.9Very low30.4Very low123 Ų123144.1 Ų144.175%0.74578%0.776SS**  trans-74.981171-176.50000109.3P405 R409P405-V407 PolarHBondContact O-N 3.14Å; V407-R409 PolarHBondContact O-N 3.42Å
408T28Very low30.5Very low119 Ų119145.9 Ų145.973%0.7378%0.779SS**  trans-70.5104.5161.247.10000108.3S406 S410S406-T408 PolarHBondContact O-N 3.38Å; T408-S410 PolarHBondContact O-N 3.07Å
409R28.3Very low30.8Very low219 Ų219143.7 Ų143.783%0.82677%0.769SS**  trans-55.2112.5163.2-83.9179.2165.9165.6-6.7107.8V407 L411V407-R409 PolarHBondContact O-N 3.42Å; R409-L411 PolarHBondContact O-N 3.23Å
410S27.6Very low31.2Very low100 Ų100145.1 Ų145.170%0.69977%0.769SS**  trans-77.579.2175.3-168.30000109.3T408 S412T408-S410 PolarHBondContact O-N 3.07Å; S410-S412 PolarHBondContact O-N 3.34Å; S410-S412 PolarHBondContact OG-OG 2.62Å
411L32.5Very low32.2Very low151 Ų151145.9 Ų145.979%0.79177%0.767SS**  trans-7369.7168.7-71.9174.3000109.3R409 H413R409-L411 PolarHBondContact O-N 3.23Å; L411-H413 PolarHBondContact O-N 3.12Å
412S30.4Very low33.9Very low97 Ų97145.3 Ų145.368%0.67875%0.752SS**  trans-80.357.4178.9-64.90000111.1S410S410-S412 PolarHBondContact O-N 3.34Å; S410-S412 PolarHBondContact OG-OG 2.62Å
413H36Very low35.6Very low150 Ų150140.2 Ų140.269%0.69472%0.718SS**  trans-144.241.2176.9-135.2-80.6000112.8L411 E419L411-H413 PolarHBondContact O-N 3.12Å; H413-E419 IonicContact CE1-OE1 3.25Å
414L31.8Very low38Very low175 Ų175133.4 Ų133.492%0.91668%0.683SS**  trans-138.567.2169-76.6-179.3000110.2
415L27.1Very low40.3Very low150 Ų150123.4 Ų123.479%0.78565%0.645SS**  trans-135.9116.9160.7-143.4171000106.8E417L415-E417 VanDerWaalsContact C-N 3.33Å; L415-E417 PolarHBondContact O-N 3.22Å
416L31.6Very low42.4Very low177 Ų177119.1 Ų119.193%0.92762%0.616SS**  trans-74.186.3-179.6-74.4159.3000109.9
417E28Very low44.4Very low164 Ų164117.5 Ų117.577%0.76660%0.602SS**  trans-89.9153.1147.8-61.1-172.6150.400107.2L415 E419L415-E417 VanDerWaalsContact C-N 3.33Å; L415-E417 PolarHBondContact O-N 3.22Å; E417-E419 PolarHBondContact O-N 3.07Å; E417-E419 VanDerWaalsContact O-N 3.14Å
418E29.5Very low45.8Very low189 Ų189112.5 Ų112.588%0.88358%0.575SS**  trans-68.8113.7-178.7-69.4176.6126.900108.8E420E418-E420 PolarHBondContact O-N 3.05Å
419E36.3Very low47.7Very low137 Ų137111.4 Ų111.464%0.6457%0.568SS**  trans-73.188.2-169.8-162163.1-132.500109.8H413 E417 E421H413-E419 IonicContact CE1-OE1 3.25Å; E417-E419 PolarHBondContact O-N 3.07Å; E417-E419 VanDerWaalsContact O-N 3.14Å; E419-E421 PolarHBondContact O-N 3.16Å
420E47.3Very low49.3Very low117 Ų117102.8 Ų102.855%0.54754%0.544SS..  trans-51.7128.6167.1-77.4-166.9-16500108.5T276 E418 E422T276-E420 PolarHBondContact OG1-OE2 3.17Å; E418-E420 PolarHBondContact O-N 3.05Å; E420-E422 PolarHBondContact O-N 2.85Å
421E48.2Very low50.8Low161 Ų161101.6 Ų101.675%0.75253%0.532SS*.  trans-58.397.8-179.7-66.9-174.6160.300110.4E419 T423 A430E419-E421 PolarHBondContact O-N 3.16Å; E421-T423 PolarHBondContact O-N 3.44Å; E421-A430 HydrophobicContact CB-CB 4.36Å
422E61.5Low51.1Low109 Ų10999.1 Ų99.151%0.50953%0.528SS..  trans-63.6115.1-178.6169.5135.9-116.700109.2R277 E420 V431R277-E422 IonicContact CZ-OE1 3.75Å; R277-E422 VanDerWaalsContact CZ-OE1 3.23Å; R277-E422 IonicContact NH1-OE1 3.28Å; R277-E422 PolarHBondContact NH1-OE1 3.22Å; R277-E422 IonicContact NH2-OE1 2.82Å; R277-E422 PolarHBondContact NH2-OE1 2.7Å; E420-E422 PolarHBondContact O-N 2.85Å; E422-V431 WeakPolarHBondContact O-CB 3.44Å; E422-V431 VanDerWaalsContact O-CG2 3.3Å; E422-V431 WeakPolarHBondContact O-CG2 3.32Å; E422-V431 PolarHBondContact O-N 3.34Å
423T71.6Confident51.7Low11 Ų11100.5 Ų100.57%0.06753%0.527CS..BIsolated β-bridgetrans-86.2133.5174.5600000111.2S274 R277 E421 V425 G428 V429S274-T423 WeakPolarHBondContact CB-OG1 3.46Å; R277-T423 PolarHBondContact NH1-O 3.18Å; E421-T423 PolarHBondContact O-N 3.44Å; T423-V425 PolarHBondContact O-N 3.03Å; T423-G428 WeakPolarHBondContact CB-O 3.47Å; T423-G428 VanDerWaalsContact CG2-O 3.32Å; T423-G428 WeakPolarHBondContact CG2-O 3.37Å; T423-V429 WeakPolarHBondContact CA-O 3.45Å
424N80.1Confident52.1Low29 Ų29101.2 Ų101.216%0.15554%0.535CS..  trans-56.7121.4176.8172.9-87.1000110.8E78 D426 T427 G428 V429 V431E78-N424 PolarHBondContact O-ND2 2.89Å; N424-D426 PolarHBondContact O-N 3.42Å; N424-D426 PolarHBondContact OD1-N 3.44Å; N424-D426 VanDerWaalsContact OD1-N 3.13Å; N424-T427 PolarHBondContact O-N 2.81Å; N424-T427 VanDerWaalsContact O-N 3.07Å; N424-T427 PolarHBondContact OD1-N 2.95Å; N424-T427 VanDerWaalsContact OD1-N 3.15Å; N424-T427 PolarHBondContact OD1-OG1 3.42Å; N424-G428 PolarHBondContact O-N 3.24Å; N424-V429 WeakPolarHBondContact CB-O 3.38Å; N424-V429 PolarHBondContact N-O 3.17Å; N424-V431 HydrophobicContact CB-CG2 4.15Å
425V79.8Confident52.3Low2 Ų298.4 Ų98.41%0.01253%0.53CS..THydrogen-bonded Turntrans-66.8-9.1-172.3-64.10000115.6H45 L47 S77 L289 T423H45-V425 HydrophobicContact CB-CG2 4.2Å; L47-V425 HydrophobicContact CD2-CG2 3.72Å; S77-V425 VanDerWaalsContact CB-CG2 3.4Å; S77-V425 WeakPolarHBondContact OG-CG2 3.31Å; L289-V425 HydrophobicContact CD1-CB 3.92Å; L289-V425 HydrophobicContact CD1-CG1 3.97Å; T423-V425 PolarHBondContact O-N 3.03Å
426D74.8Confident52.8Low26 Ų2698.8 Ų98.814%0.13953%0.532CS..THydrogen-bonded Turntrans-98.5-13.4175.6-164.249.7000112.9L47 R79 A80 K287 N424L47-D426 HydrophobicContact CD1-CB 4.46Å; L47-D426 WeakPolarHBondContact CD1-OD1 3.46Å; L47-D426 HydrophobicContact CD2-CB 4.45Å; R79-D426 VanDerWaalsContact CA-OD2 3.29Å; R79-D426 WeakPolarHBondContact CA-OD2 3.48Å; R79-D426 VanDerWaalsContact CB-OD2 3.29Å; R79-D426 WeakPolarHBondContact CB-OD2 3.39Å; R79-D426 IonicContact NH1-OD1 2.7Å; A80-D426 PolarHBondContact N-OD2 3.26Å; K287-D426 IonicContact NZ-OD1 2.86Å; K287-D426 PolarHBondContact NZ-OD1 2.8Å; N424-D426 PolarHBondContact O-N 3.42Å; N424-D426 PolarHBondContact OD1-N 3.44Å; N424-D426 VanDerWaalsContact OD1-N 3.13Å
427T69.6Low53Low61 Ų6197.2 Ų97.237%0.37453%0.53SS..THydrogen-bonded Turntrans-140.5-17.2-172.856.20000117.5A80 N424 V429A80-T427 HydrophobicContact CB-CG2 3.32Å; N424-T427 PolarHBondContact O-N 2.81Å; N424-T427 VanDerWaalsContact O-N 3.07Å; N424-T427 PolarHBondContact OD1-N 2.95Å; N424-T427 VanDerWaalsContact OD1-N 3.15Å; N424-T427 PolarHBondContact OD1-OG1 3.42Å; T427-V429 PolarHBondContact O-N 3.25Å; T427-V429 PolarHBondContact OG1-N 2.74Å
428G62.7Low53.1Low18 Ų1894.7 Ų94.719%0.18653%0.531CS..  trans74.32-172.300000115.3I273 T423 N424I273-G428 WeakPolarHBondContact O-CA 3.49Å; T423-G428 WeakPolarHBondContact CB-O 3.47Å; T423-G428 VanDerWaalsContact CG2-O 3.32Å; T423-G428 WeakPolarHBondContact CG2-O 3.37Å; N424-G428 PolarHBondContact O-N 3.24Å
429V67Low53.5Low96 Ų9693.6 Ų93.658%0.58253%0.53SS*.  trans-78.4134.7178.8-178.50000110.3T423 N424 T427T423-V429 WeakPolarHBondContact CA-O 3.45Å; N424-V429 WeakPolarHBondContact CB-O 3.38Å; N424-V429 PolarHBondContact N-O 3.17Å; T427-V429 PolarHBondContact O-N 3.25Å; T427-V429 PolarHBondContact OG1-N 2.74Å
430A62.6Low53.3Low38 Ų3891.3 Ų91.331%0.31453%0.534SS..BIsolated β-bridgetrans-60.1134.3176.200000112.1E421 S432E421-A430 HydrophobicContact CB-CB 4.36Å; A430-S432 PolarHBondContact O-N 3.32Å
431V57.8Low52.5Low76 Ų7691.5 Ų91.546%0.46154%0.543SS..  trans-83.495.8-179.5177.70000110E422 N424 L433E422-V431 WeakPolarHBondContact O-CB 3.44Å; E422-V431 VanDerWaalsContact O-CG2 3.3Å; E422-V431 WeakPolarHBondContact O-CG2 3.32Å; E422-V431 PolarHBondContact O-N 3.34Å; N424-V431 HydrophobicContact CB-CG2 4.15Å; V431-L433 PolarHBondContact O-N 2.83Å; V431-L433 VanDerWaalsContact O-N 3.11Å
432S39.8Very low51.8Low99 Ų9991.4 Ų91.469%0.69255%0.546SS*.  trans-67.9103.8175.5-63.60000112.2A430 L434A430-S432 PolarHBondContact O-N 3.32Å; S432-L434 PolarHBondContact O-N 3.16Å
433L43Very low50.2Low126 Ų12692.2 Ų92.266%0.6656%0.559SS**SBendtrans-67.420.7178.5-76.8166.9000115.6V431V431-L433 PolarHBondContact O-N 2.83Å; V431-L433 VanDerWaalsContact O-N 3.11Å
434L43.7Very low48.3Very low165 Ų165102.9 Ų102.986%0.86460%0.598SS**  trans-134.479.5-175.7-78.6169.7000111.7S432S432-L434 PolarHBondContact O-N 3.16Å
435S36.3Very low45.7Very low115 Ų115107.5 Ų107.580%0.80463%0.632SS**  trans-155.535173.8-810000114
436D37.5Very low43.4Very low158 Ų158112.8 Ų112.885%0.84567%0.669SS**  trans-138.644.7-178.3-149.66.6000114.9
437T37.2Very low41.2Very low144 Ų144117.3 Ų117.388%0.88370%0.703SS**  trans-152.373.6162.4-49.20000112.4
438S28.5Very low39.3Very low111 Ų111119.1 Ų119.178%0.77672%0.717SS**  trans-146.679.2165.661.20000112A440S438-A440 PolarHBondContact O-N 3.27Å
439I39.1Very low37.7Very low167 Ų167125.2 Ų125.286%0.85675%0.745SS**  trans-70.291.5171.9-58.8176.1000108.7T441I439-T441 PolarHBondContact O-N 3.35Å
440A32.6Very low36Very low89 Ų89128 Ų12874%0.73676%0.756SS**  trans-83.6103.517400000110.2S438 I442S438-A440 PolarHBondContact O-N 3.27Å; A440-I442 PolarHBondContact O-N 2.96Å
441T29.7Very low34.5Very low120 Ų120134.4 Ų134.474%0.73678%0.784SS**  trans-58.3123.8-175.9-52.20000112.7I439 T443I439-T441 PolarHBondContact O-N 3.35Å; T441-T443 PolarHBondContact O-N 3.38Å; T441-T443 VanDerWaalsContact O-N 3.09Å
442I33Very low33.1Very low160 Ų160141.2 Ų141.282%0.82180%0.801SS**  trans-71.6102.7176.1-58.8173.1000109.9A440A440-I442 PolarHBondContact O-N 2.96Å
443T29.3Very low32.8Very low125 Ų125142.5 Ų142.577%0.76781%0.806SS**  trans-93.4114.7166.7-59.70000109.7T441T441-T443 PolarHBondContact O-N 3.38Å; T441-T443 VanDerWaalsContact O-N 3.09Å
444R30.1Very low31.9Very low236 Ų236148.1 Ų148.189%0.89182%0.818SS**  trans-67.3137.1171.6-78.1175.5160.8142.5-7.6110.9
445S27Very low31.3Very low126 Ų126147.8 Ų147.888%0.88182%0.817SS**  trans-149.3158.2146.5-163.40000109.8
446S30.3Very low30.8Very low113 Ų113147.6 Ų147.679%0.7982%0.816SS**  trans-135.2141.7-170.257.30000111.5
447S28.1Very low30.4Very low120 Ų120149 Ų14984%0.83982%0.817SS**  trans-156146.9153.1-164.60000111
448C30.8Very low30.2Very low100 Ų100153 Ų15368%0.67682%0.816SS**  trans-69.1170.2153.7-54.60000108.1
449D28.8Very low30.6Very low146 Ų146152.6 Ų152.678%0.78181%0.811SS**  cis-165.8-175.944.1-127.9-51.9000113.7
450L30.8Very low30Very low153 Ų153149.9 Ų149.980%0.80181%0.806SS**  trans-62.1152.7-178-64.6143000115.1
451L31Very low29.9Very low173 Ų173151.5 Ų151.591%0.90681%0.807SS**  -170.1168.8117.7-102.9171000116
452R29.3Very low29.8Very low219 Ų219150 Ų15083%0.82681%0.806SS**  trans-73.4137.5-162.3-101.3176.8176.4152-3.1118.1
453T32.2Very low29.6Very low127 Ų127151.3 Ų151.378%0.77981%0.809SS**  trans30.4127.5132.261.80000121.8
454R25.2Very low29.5Very low244 Ų244150.1 Ų150.192%0.92181%0.812SS**  trans-156.8150.8138.5-161.4165.4-179.8146.80.5112.7
455N30.2Very low29.5Very low157 Ų157144.3 Ų144.384%0.8481%0.808SS**  trans-93.2149.2175-59.2-16.5000112.3
456S27.1Very low30.5Very low112 Ų112143.4 Ų143.478%0.78380%0.799SS**  trans-164.8126152.7-170.80000106
457E29.2Very low30.5Very low188 Ų188145.1 Ų145.188%0.87980%0.804SS**  cis85.3144.138.9-160.4162.6-169.600113.8
458R32.2Very low30.4Very low228 Ų228142.8 Ų142.886%0.8680%0.799SS**  trans-120.1134.9-150.1-174.1-159.5-108.7167-6112.3
459P36.5Very low30.4Very low102 Ų102146.7 Ų146.766%0.66281%0.807SS**  trans-63.1134.1167.1-19.333.3000111.2
460S28Very low30.4Very low109 Ų109148.6 Ų148.676%0.76281%0.811SS**  76.4147.451.883.60000112.7
461V29.4Very low30.3Very low124 Ų124145.9 Ų145.975%0.75281%0.811SS**  cis-149.7145.723.6149.50000111.6
462A27.7Very low30.3Very low87 Ų87146.3 Ų146.372%0.71981%0.806SS**  trans46.2171.6149.700000123
463E28.2Very low30.3Very low189 Ų189143 Ų14388%0.88380%0.799SS**  cis-177.7144.8-40.2-178.3167-142.200108
464A28.5Very low30.2Very low100 Ų100144 Ų14483%0.82680%0.799SS**  trans153.2154.2151.200000112.9
465S29Very low30.3Very low114 Ų114138.9 Ų138.980%0.79780%0.795SS**  trans-134.9179.6173.6-143.60000107
466P48.6Very low30.2Very low107 Ų107140.5 Ų140.570%0.69580%0.795SS**  cis-140.4-153.34.734.7-9.4000113.9
467V29.6Very low30.2Very low149 Ų149140 Ų14090%0.90379%0.791SS**  trans85.7131.3164.8-168.20000117.2
468G27.1Very low30.1Very low70 Ų70139.1 Ų139.172%0.72279%0.791SS**  trans156.7122.8168.400000112.5
469Q29.9Very low30.3Very low182 Ų182133.7 Ų133.785%0.8579%0.785SS**  trans-121168.1175.3-69.5-178.8-7.600110.6
470Q28.6Very low29.9Very low186 Ų186137.8 Ų137.887%0.86980%0.795SS**  trans73.2117.6-176.9-48.5-179.312.200112.6
471A28.3Very low29.8Very low96 Ų96137.4 Ų137.479%0.79379%0.788SS**  cis80.9101.52300000115.9
472K31.6Very low29.7Very low183 Ų183137.6 Ų137.680%0.79679%0.785SS**  trans-162.2140.3142.9-109.1178.7178.9-174.10111.2
473E29.1Very low29.8Very low149 Ų149141 Ų14170%0.69679%0.786SS**  trans38.3133.6141.4-64.1173.7103.900119.9
474L30.3Very low29.8Very low147 Ų147140.7 Ų140.777%0.7779%0.785SS**  cis-159.6142.814.9-119.2161.2000110.9
475T28.1Very low29.8Very low138 Ų138140.3 Ų140.385%0.84778%0.782SS**  trans-134.4125.4176.9-50.70000112.3
476K27Very low30.4Very low191 Ų191140.6 Ų140.683%0.8378%0.781SS**  trans-155.3141.2165.5-86-164171.9179.60107.9
477C28.3Very low29.4Very low102 Ų102141.1 Ų141.169%0.68979%0.787SS**  cis-152.5173.32.9-101.50000110.6
478L26.2Very low29.3Very low168 Ų168137.5 Ų137.588%0.8878%0.78SS**  trans105.8149169.2-61.2163000115.4
479P36.5Very low29.2Very low114 Ų114137.8 Ų137.874%0.7478%0.783SS**  -135176.1-53.237-20.6000113.4
480Q27Very low29.1Very low188 Ų188134.9 Ų134.988%0.87978%0.781SS**  trans-154.3155.1174.4-79.5-165.9-16.200110.8
481T27.8Very low29.1Very low101 Ų101135.8 Ų135.862%0.6278%0.782SS**  cis-162.5168.4-35.7-40.30000107.7
482N26.9Very low29Very low129 Ų129134.7 Ų134.769%0.6978%0.78SS**  trans77.2156.3165.2-49.6-39.2000116.2
483H29.1Very low28.9Very low157 Ų157130.7 Ų130.773%0.72778%0.782SS**  cis-138.5151.718.3-79.5-98000115.5
484Q28.5Very low28.9Very low184 Ų184131.4 Ų131.486%0.8678%0.782SS**  trans65.4148.4144.3-74.4170-36.100123.1
485A27.9Very low28.8Very low92 Ų92131.5 Ų131.576%0.7678%0.779SS**  trans-125.7-173.3169.700000107.5
486P42Very low28.7Very low120 Ų120132.7 Ų132.778%0.77978%0.775SS**  cis-147-167.53244.5-23.3000116.8
487S27.9Very low28.8Very low117 Ų117126.9 Ų126.982%0.81876%0.758SS**  trans66.1132.4165.1-162.60000116.5
488G26.7Very low29Very low74 Ų74132.7 Ų132.776%0.76377%0.766SS**  cis95.4129.93600000109.6
489G25.9Very low29.2Very low76 Ų76130.9 Ų130.978%0.78476%0.762SS**  cis174.4172.8-3.300000111.6
490C27.4Very low29Very low121 Ų121131.4 Ų131.482%0.81876%0.763SS**  trans69.5121.6167.2-80.70000123
491K28.4Very low29.1Very low204 Ų204129.1 Ų129.189%0.88776%0.762SS**  trans77.6148136.5-64.5179.6178.3-178.30122.1
492G26.6Very low29.1Very low73 Ų73129.3 Ų129.375%0.75377%0.767SS**  trans103.9103.7173.700000112.5
493A28.9Very low29.1Very low100 Ų100126.6 Ų126.683%0.82677%0.769SS**  cis90145.12900000115
494K29.4Very low29Very low164 Ų164127.9 Ų127.971%0.71378%0.776SS**  trans79.7128.8-174.8-76.1-175.8171.6-730115.5
495E27.7Very low29.3Very low149 Ų149130.5 Ų130.570%0.69678%0.777SS**  87.3130.850.4178.3-162.1-77.400110.4
496E27.1Very low30.2Very low162 Ų162131.4 Ų131.476%0.75778%0.776SS**  cis-166.9170.7-8.8-163.4-147.711100110
497S29.5Very low29.5Very low69 Ų69130.4 Ų130.448%0.48377%0.772SS.*  trans72126.1147.4-111.60000123.1
498R31.8Very low29.8Very low225 Ų225132 Ų13285%0.84977%0.766SS**  trans68.9161.6148-53.2169.8-166.8-161.4-0.3116.9
499T29.7Very low29.9Very low130 Ų130136.1 Ų136.180%0.79876%0.763SS**  cis-142.3159.84-28.40000110.9
500T32.1Very low30.1Very low125 Ų125139.5 Ų139.577%0.76776%0.762SS**  trans-81.1155.216546.10000112.1
501V30.1Very low30.2Very low140 Ų140140.4 Ų140.485%0.84876%0.758SS**  trans177.9139.5136.1143.50000113.8
502S28.2Very low30.3Very low105 Ų105134.2 Ų134.273%0.73475%0.746SS**  trans4.8152.4156.5-154.30000124.5
503G26.1Very low30.6Very low71 Ų71138.5 Ų138.573%0.73275%0.746SS**  trans155.972.8161.300000113.6
504Q27.1Very low30.7Very low185 Ų185139.9 Ų139.986%0.86474%0.739SS**  70.9129.889-78-167-27.500118.8
505R34Very low30.8Very low238 Ų238136.9 Ų136.990%0.89874%0.739SS**  trans-56.4170.9161.5-89.8177.7178176.1-1.6112.7
506P47.1Very low31Very low112 Ų112135.8 Ų135.873%0.72774%0.743SS**  cis-139.3-175.638.936.2-11.4000115
507S28.5Very low31.1Very low99 Ų99132.7 Ų132.769%0.69274%0.739SS**  -167.2144.760.6-87.70000111.4
508Q32.9Very low31.2Very low149 Ų149134.6 Ų134.670%0.69675%0.748SS**  59.3139.880.7-63.6-163.32600114.2
509K29.2Very low31.1Very low162 Ų162131.6 Ų131.670%0.70474%0.744SS**  cis-169.9166.72.7-113.9177.2-175.8157.50108.8
510L30.9Very low31.1Very low146 Ų146132.4 Ų132.476%0.76474%0.742SS**  cis-136.9-105.1-17.9-145.1170.9000108.9
511L29.8Very low30.9Very low140 Ų140134.1 Ų134.173%0.73375%0.746SS**  cis-160.6132.2-18.3-145.9175.8000109.2
512A30.3Very low30.7Very low75 Ų75133.2 Ų133.262%0.6275%0.745SS**  trans63.1145.8159.800000120.5
513E31.9Very low30.7Very low163 Ų163132.3 Ų132.376%0.76274%0.744SS**  cis-173.8170.7-11.2-118.7-179.2-105.600108.4
514N31.2Very low30.8Very low128 Ų128139.2 Ų139.268%0.68475%0.75SS**  cis-157.6173.9-10.8-154.3-28000109
515S32.1Very low31Very low101 Ų101137.6 Ų137.671%0.70675%0.746SS**  trans69.6138.9164.978.70000117.6
516T31.9Very low30.7Very low126 Ų126132.2 Ų132.277%0.77374%0.735SS**  cis-143.7126.14.6-40.70000112.3
517S29.1Very low29.9Very low98 Ų98134.9 Ų134.969%0.68574%0.742SS**  trans9146.2131.4-104.40000121.2
518T30.5Very low30Very low109 Ų109139.1 Ų139.167%0.66975%0.751SS**  cis-166.4149.2-11.52.80000111.1
519E30.4Very low29.9Very low162 Ų162140.5 Ų140.576%0.75776%0.757SS**  trans41.4115.3142.7-69.6-178.5131.500121.8
520L29.5Very low30Very low147 Ų147138.6 Ų138.677%0.7776%0.761SS**  83.4120.480.7-76.9179.7000115.5
521L27.8Very low30Very low161 Ų161138 Ų13884%0.84376%0.764SS**  170.6136.4119.2-94.5168.3000113.9
522S26.6Very low29.9Very low120 Ų120139.6 Ų139.684%0.83977%0.773SS**  trans64.2165.5164.780.50000116.7
523A28.1Very low29.9Very low86 Ų86142.5 Ų142.571%0.71177%0.774SS**  cis-139.9167.84.300000112.8
524Y28.9Very low29.7Very low216 Ų216144.3 Ų144.385%0.84778%0.779SS**  trans-93115.9-179.8-170.6-81.5000109.7
525I31.1Very low29.6Very low151 Ų151146.4 Ų146.477%0.77478%0.783SS**  trans-136.5139.4173.3-62-176.1000109.3
526N27.7Very low29.6Very low125 Ų125150.7 Ų150.767%0.66880%0.796SS**PPolyproline II helixtrans-72.4153.1-176.1-48.5-62.4000112.3
527L30.5Very low29.5Very low168 Ų168152 Ų15288%0.8880%0.797SS**PPolyproline II helixtrans-89.1128.2149.8-76.782.2000107.6
528E28.8Very low29.6Very low188 Ų188154.8 Ų154.888%0.87980%0.803SS**PPolyproline II helixtrans-89.7127.4162.7-67.6-175.6135.300108.4
529E31.1Very low29.5Very low178 Ų178157.3 Ų157.383%0.83281%0.81SS**PPolyproline II helixtrans-83.7136.4170.5-65.8-177.8133.400109.6
530P32.4Very low29.5Very low122 Ų122157.1 Ų157.179%0.79281%0.813SS**PPolyproline II helixtrans-70.2131.617329.4-33.1000110.4D532P530-D532 PolarHBondContact O-N 2.81Å
531V29.7Very low29.5Very low135 Ų135157.7 Ų157.782%0.81882%0.816SS**  trans-76.2106.2177.1179.30000109.6E533V531-E533 HydrophobicContact CG1-CB 4.48Å; V531-E533 PolarHBondContact O-N 3.06Å
532D28.5Very low29.6Very low172 Ų172157.5 Ų157.592%0.9281%0.814SS**  trans-9187.7177.3-142.59.8000109.9P530P530-D532 PolarHBondContact O-N 2.81Å
533E30.3Very low29.8Very low136 Ų136160.1 Ų160.164%0.63681%0.813SS**  trans-100.1115.3176.1-154.4177.8-149.100108.8V531V531-E533 HydrophobicContact CG1-CB 4.48Å; V531-E533 PolarHBondContact O-N 3.06Å
534F28.2Very low29.9Very low201 Ų201165.8 Ų165.888%0.88282%0.82SS**  trans179.1139.6140-89.8-56.7000110.9
535F29.2Very low30Very low173 Ų173161.7 Ų161.776%0.75982%0.818SS**  trans-101.9153.6179.2-78.6-97.5000112.1
536I32.3Very low29.9Very low191 Ų191162.6 Ų162.698%0.97982%0.822SS**  trans-126.80164.4-58.2175.3000107.2

Retrieved 536 of 536 residues in 2514.6 ms (Link to these results)