A0A060VQK0_ONCMY Loading...

Ripply transcriptional repressor 1

AlphaFold DB , UniProt , Accession A0A060VQK0, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene ripply1, Length 148 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
1M54.9Low59.7Low244 Ų244150.5 Ų150.5100%1.20285%0.847SS**  0102.20-55.3-173.9-177.500106
2S46.8Very low59.7Low129 Ų129147.7 Ų147.790%0.90284%0.84SS**  trans-87.5115.5-169.1-147.40000109.5
3T60.2Low59.5Low129 Ų129151.3 Ų151.379%0.79184%0.841SS**  trans-87.9116174.7410000109.4
4A62Low59.4Low95 Ų95149.4 Ų149.479%0.78583%0.834SS**  trans-95112.817100000109
5C56.4Low59.5Low113 Ų113147.3 Ų147.376%0.76483%0.826SS**  trans-86117.2172.1-67.20000109.4I7C5-I7 PolarHBondContact O-N 3.09Å
6L63.2Low59.3Low171 Ų171142.7 Ų142.790%0.89581%0.813SS**  trans-76107170.2-64.4176.7000108.9V8L6-V8 PolarHBondContact O-N 3.44Å
7I62.3Low58.7Low151 Ų151141.3 Ų141.377%0.77481%0.811SS**  trans-76.3104.9169-68.3164.8000107.2C5 K9C5-I7 PolarHBondContact O-N 3.09Å; I7-K9 PolarHBondContact O-N 3.28Å
8V65.4Low58.4Low133 Ų133146.1 Ų146.181%0.80681%0.813SS**  trans-71.7117.4167.9105.20000107.4L6 Q10L6-V8 PolarHBondContact O-N 3.44Å; V8-Q10 PolarHBondContact O-N 3.4Å
9K62.6Low57.7Low190 Ų190143.9 Ų143.983%0.82681%0.807SS**  trans-76.1110.7171-70.7-175.2175.8-178.80107.4I7 T11I7-K9 PolarHBondContact O-N 3.28Å; K9-T11 PolarHBondContact O-N 3.48Å; K9-T11 VanDerWaalsContact O-N 3.17Å
10Q59.3Low57.1Low185 Ų185145.7 Ų145.786%0.86481%0.808SS**  trans-60114.5172.7-168.3170.921.700108.7V8V8-Q10 PolarHBondContact O-N 3.4Å
11T64.1Low56.8Low116 Ų116144 Ų14471%0.71280%0.802SS**  trans-63.3132.6170.549.60000108.4K9 F13K9-T11 PolarHBondContact O-N 3.48Å; K9-T11 VanDerWaalsContact O-N 3.17Å; T11-F13 PolarHBondContact O-N 3.31Å
12P59.7Low56.3Low116 Ų116136.9 Ų136.975%0.75377%0.769SS**  trans-59.2127.4173.725.6-32.3000108V14P12-V14 VanDerWaalsContact C-N 3.35Å; P12-V14 PolarHBondContact O-N 3.37Å
13F57.3Low56.7Low195 Ų195138.2 Ų138.286%0.85577%0.766SS**  trans-59.8101173.4-156.4-92.8000106.8T11 V15T11-F13 PolarHBondContact O-N 3.31Å; F13-V15 PolarHBondContact O-N 3.23Å
14V57.1Low56.4Low124 Ų124142.3 Ų142.375%0.75277%0.767SS**  trans-65.1106.1169.41770000104.8P12 A16P12-V14 VanDerWaalsContact C-N 3.35Å; P12-V14 PolarHBondContact O-N 3.37Å; V14-A16 VanDerWaalsContact C-N 3.31Å; V14-A16 PolarHBondContact O-N 3.23Å
15V60.9Low56Low118 Ų118145.7 Ų145.772%0.71576%0.76SS**  trans-57.8104.1164.9170.80000105.3F13F13-V15 PolarHBondContact O-N 3.23Å
16A56.2Low56Low74 Ų74147.5 Ų147.561%0.61276%0.762SS**PPolyproline II helixtrans-51.3132.4167.800000106.9V14 R18V14-A16 VanDerWaalsContact C-N 3.31Å; V14-A16 PolarHBondContact O-N 3.23Å; A16-R18 PolarHBondContact O-N 3.03Å
17P50Low55.7Low119 Ų119143.4 Ų143.477%0.77375%0.748SS**PPolyproline II helixtrans-53.9118.9176.420.3-29.8000107.5P19P17-P19 WeakPolarHBondContact O-CD 3.38Å
18R52.1Low55.5Low227 Ų227142.9 Ų142.986%0.85775%0.746SS**PPolyproline II helixtrans-49.7119.4170.6-170.5-179.7-159.9-143.53.8105.5A16 Q20A16-R18 PolarHBondContact O-N 3.03Å; R18-Q20 PolarHBondContact O-N 3.39Å
19P45Very low55Low106 Ų106147.5 Ų147.569%0.68875%0.749SS**  trans-58.3112.5174.722.3-29.3000105.3P17 T21P17-P19 WeakPolarHBondContact O-CD 3.38Å; P19-T21 VanDerWaalsContact C-N 3.3Å; P19-T21 PolarHBondContact O-N 3.41Å
20Q46.3Very low55Low178 Ų178144.3 Ų144.383%0.83273%0.732SS**  trans-58.6108.7164-66.2-162.834.300103.9R18 N22R18-Q20 PolarHBondContact O-N 3.39Å; Q20-N22 PolarHBondContact O-N 2.94Å
21T50.4Low55.1Low112 Ų112140.3 Ų140.369%0.68772%0.722SS**  trans-69.679.1176.651.80000106.3P19 D23P19-T21 VanDerWaalsContact C-N 3.3Å; P19-T21 PolarHBondContact O-N 3.41Å; T21-D23 PolarHBondContact O-N 3.04Å; T21-D23 VanDerWaalsContact O-N 3.1Å
22N45.8Very low55Low93 Ų93139.6 Ų139.650%0.49771%0.706SS.*  trans-61.8108.7160.5-149.1-0.9000103.7Q20 R24 Y25Q20-N22 PolarHBondContact O-N 2.94Å; N22-R24 PolarHBondContact O-N 2.72Å; N22-Y25 HydrophobicContact CB-CD2 4.33Å; N22-Y25 HydrophobicContact CB-CE2 3.55Å; N22-Y25 WeakPolarHBondContact O-CD2 3.29Å; N22-Y25 WeakPolarHBondContact O-CE2 3.49Å
23D54.2Low55.1Low157 Ų157138.4 Ų138.484%0.8469%0.693SS**THydrogen-bonded Turntrans-63.421.9-177-71.1-44.5000113.8T21T21-D23 PolarHBondContact O-N 3.04Å; T21-D23 VanDerWaalsContact O-N 3.1Å
24R54.4Low55.1Low215 Ų215133.6 Ų133.681%0.81168%0.68SS**THydrogen-bonded Turntrans-124.310.1-170.8-60-170.9-172.9-1562.9113.4N22 D26N22-R24 PolarHBondContact O-N 2.72Å; R24-D26 PolarHBondContact O-N 3.25Å
25Y53.5Low55.6Low167 Ų167130.4 Ų130.466%0.65566%0.661SS**SBendtrans-82107.2162.6-53-68.4000106.4N22 S27N22-Y25 HydrophobicContact CB-CD2 4.33Å; N22-Y25 HydrophobicContact CB-CE2 3.55Å; N22-Y25 WeakPolarHBondContact O-CD2 3.29Å; N22-Y25 WeakPolarHBondContact O-CE2 3.49Å; Y25-S27 PolarHBondContact O-N 2.96Å
26D55.5Low55.7Low151 Ų151134.4 Ų134.481%0.80767%0.668SS**  trans-31.5112.8167.7-81.5-50.5000109.4R24 L28R24-D26 PolarHBondContact O-N 3.25Å; D26-L28 PolarHBondContact O-N 2.83Å
27S57.4Low56Low84 Ų84137.3 Ų137.359%0.58767%0.667SS**  trans-49.5111.7-175.4-53.40000107.6Y25 W29Y25-S27 PolarHBondContact O-N 2.96Å; S27-W29 VanDerWaalsContact O-CA 3.24Å; S27-W29 WeakPolarHBondContact O-CA 3.33Å; S27-W29 PolarHBondContact O-N 3.28Å
28L59.1Low56.5Low141 Ų141134.4 Ų134.474%0.73865%0.645SS**  trans-27.5103.2170.6-69.5162.4000107.5D26 R30D26-L28 PolarHBondContact O-N 2.83Å; L28-R30 WeakPolarHBondContact O-CB 3.19Å; L28-R30 WeakPolarHBondContact O-CG 3.25Å; L28-R30 PolarHBondContact O-N 2.77Å
29W54.4Low56.9Low230 Ų230129 Ų12987%0.87163%0.631SS**SBendtrans-47.4101.4-159.4-10175.7000110.2S27S27-W29 VanDerWaalsContact O-CA 3.24Å; S27-W29 WeakPolarHBondContact O-CA 3.33Å; S27-W29 PolarHBondContact O-N 3.28Å
30R63.1Low57.5Low122 Ų122131.6 Ų131.646%0.4663%0.634SS.*  trans-125.987.6179.1-76.9167.4-177.2-83.71.5105.8L28 W32 L33L28-R30 WeakPolarHBondContact O-CB 3.19Å; L28-R30 WeakPolarHBondContact O-CG 3.25Å; L28-R30 PolarHBondContact O-N 2.77Å; R30-W32 HydrophobicContact CB-CD2 4.24Å; R30-W32 HydrophobicContact CB-CZ2 4.11Å; R30-W32 HydrophobicContact CG-CH2 4.23Å; R30-W32 HydrophobicContact CG-CZ2 3.69Å; R30-W32 PolarHBondContact O-N 2.97Å; R30-L33 HydrophobicContact CB-CB 4.24Å; R30-L33 HydrophobicContact CB-CD1 3.76Å; R30-L33 HydrophobicContact CB-CG 3.69Å; R30-L33 VanDerWaalsContact CD-CD1 3.42Å; R30-L33 HydrophobicContact CG-CD1 4.24Å; R30-L33 HydrophobicContact CG-CG 4.46Å; R30-L33 PolarHBondContact O-N 3.43Å
31P60.3Low58.1Low102 Ų102129.7 Ų129.766%0.66262%0.619SS**THydrogen-bonded Turntrans-53.6-16.2-178.6-27.934.6000114.8
32W61.5Low58.3Low101 Ų101129.7 Ų129.738%0.38361%0.611SS.*THydrogen-bonded Turntrans-99.2-5.6-178.86186.2000115.1R30 T34 F75R30-W32 HydrophobicContact CB-CD2 4.24Å; R30-W32 HydrophobicContact CB-CZ2 4.11Å; R30-W32 HydrophobicContact CG-CH2 4.23Å; R30-W32 HydrophobicContact CG-CZ2 3.69Å; R30-W32 PolarHBondContact O-N 2.97Å; W32-T34 PolarHBondContact O-N 2.92Å; W32-F75 HydrophobicContact CB-CE1 4.47Å; W32-F75 HydrophobicContact CB-CE2 3.59Å; W32-F75 HydrophobicContact CB-CZ 3.42Å; W32-F75 VanDerWaalsContact CB-CZ 3.42Å; W32-F75 AromaticContact CD1-CZ 3.8Å; W32-F75 HydrophobicContact CG-CE1 4.42Å; W32-F75 HydrophobicContact CG-CE2 4.21Å; W32-F75 AromaticContact CG-CZ 3.77Å; W32-F75 HydrophobicContact CG-CZ 3.77Å
33L62.2Low58.5Low91 Ų91130.3 Ų130.348%0.47662%0.622SS.*SBendtrans-78.2108.1168.1-71.4-177.8000107.7R30 T35R30-L33 HydrophobicContact CB-CB 4.24Å; R30-L33 HydrophobicContact CB-CD1 3.76Å; R30-L33 HydrophobicContact CB-CG 3.69Å; R30-L33 VanDerWaalsContact CD-CD1 3.42Å; R30-L33 HydrophobicContact CG-CD1 4.24Å; R30-L33 HydrophobicContact CG-CG 4.46Å; R30-L33 PolarHBondContact O-N 3.43Å; L33-T35 PolarHBondContact O-N 3.44Å
34T58.8Low58.3Low93 Ų93130.1 Ų130.157%0.57162%0.616SS**  trans-62.7107.3178.6-33.10000109W32 D38 M39W32-T34 PolarHBondContact O-N 2.92Å; T34-D38 HydrophobicContact CG2-CB 4.25Å; T34-M39 HydrophobicContact CG2-CG 4.22Å
35T66.6Low58.2Low58 Ų58128.4 Ų128.436%0.35661%0.61SS.*  trans-83.4159.2172.971.10000109.5L33 K37 D38 M39L33-T35 PolarHBondContact O-N 3.44Å; T35-K37 PolarHBondContact O-N 3.4Å; T35-K37 PolarHBondContact OG1-N 3.21Å; T35-D38 WeakPolarHBondContact CB-OD2 3.15Å; T35-D38 PolarHBondContact N-OD2 3.24Å; T35-D38 PolarHBondContact O-N 3.02Å; T35-D38 VanDerWaalsContact OG1-CG 3.27Å; T35-D38 PolarHBondContact OG1-N 3.07Å; T35-D38 PolarHBondContact OG1-OD2 3.06Å; T35-M39 PolarHBondContact O-N 3.45Å
36K63.3Low58.3Low201 Ų201124.5 Ų124.587%0.87461%0.607SS**Hα-helixtrans-55.1-24.6174.2-65.5-177.1179.7178.30112.5
37K62.2Low58.1Low136 Ų136128.2 Ų128.259%0.59161%0.609SS**Hα-helixtrans-76.9-28.3176.3-170.9177.6179.3177.90112.8T35T35-K37 PolarHBondContact O-N 3.4Å; T35-K37 PolarHBondContact OG1-N 3.21Å
38D61.4Low57.8Low57 Ų57132.5 Ų132.531%0.30562%0.62SS.*Hα-helixtrans-77.5-35.5179.4-60.5-46000112.1T34 T35 Q40 R41 E42T34-D38 HydrophobicContact CG2-CB 4.25Å; T35-D38 WeakPolarHBondContact CB-OD2 3.15Å; T35-D38 PolarHBondContact N-OD2 3.24Å; T35-D38 PolarHBondContact O-N 3.02Å; T35-D38 VanDerWaalsContact OG1-CG 3.27Å; T35-D38 PolarHBondContact OG1-N 3.07Å; T35-D38 PolarHBondContact OG1-OD2 3.06Å; D38-Q40 PolarHBondContact O-N 3.37Å; D38-Q40 VanDerWaalsContact O-N 3.13Å; D38-R41 CarbonylContact O-C 3.59Å; D38-R41 WeakPolarHBondContact O-CA 3.46Å; D38-R41 PolarHBondContact O-N 3.04Å; D38-E42 PolarHBondContact O-N 3.41Å
39M59.2Low57.3Low115 Ų115129.3 Ų129.357%0.56761%0.609SS**Hα-helixtrans-53.2-34.5172.7-76.3-100.370.200112.8T34 T35T34-M39 HydrophobicContact CG2-CG 4.22Å; T35-M39 PolarHBondContact O-N 3.45Å
40Q58Low56.9Low159 Ų159121.7 Ų121.774%0.74359%0.591SS**Hα-helixtrans-78.8-24.8177.8-168.4171.5-18.800113D38D38-Q40 PolarHBondContact O-N 3.37Å; D38-Q40 VanDerWaalsContact O-N 3.13Å
41R58.3Low56.4Low138 Ų138121.5 Ų121.552%0.52161%0.605SS.*Hα-helixtrans-87.3-25.8178.8-69.1178.5171.1-157.6-6.9112.6D38 Q44 R45D38-R41 CarbonylContact O-C 3.59Å; D38-R41 WeakPolarHBondContact O-CA 3.46Å; D38-R41 PolarHBondContact O-N 3.04Å; R41-Q44 PolarHBondContact O-N 3.43Å; R41-Q44 VanDerWaalsContact O-N 3.1Å; R41-R45 PolarHBondContact O-N 3.47Å
42E55.3Low55.4Low112 Ų112126.9 Ų126.952%0.52361%0.614SS.*Hα-helixtrans-66-36.2179.1-161.5137.4-142.100112.3D38 Q44 R45 S46D38-E42 PolarHBondContact O-N 3.41Å; E42-Q44 PolarHBondContact O-N 3.19Å; E42-R45 PolarHBondContact O-N 3.28Å; E42-S46 WeakPolarHBondContact O-CB 3.29Å; E42-S46 PolarHBondContact O-N 3.48Å; E42-S46 VanDerWaalsContact O-N 3.08Å
43C49.6Very low54.8Low107 Ų107126.5 Ų126.572%0.72363%0.626SS**Hα-helixtrans-61-25.3171.1-68.30000113.7
44Q50.7Low54Low153 Ų153132.7 Ų132.772%0.71564%0.644SS**Hα-helixtrans-90-38.3176.8-69.5-173.2-9.500112.2R41 E42R41-Q44 PolarHBondContact O-N 3.43Å; R41-Q44 VanDerWaalsContact O-N 3.1Å; E42-Q44 PolarHBondContact O-N 3.19Å
45R52.9Low53.2Low179 Ų179133.9 Ų133.968%0.67565%0.653SS**Hα-helixtrans-75-23.4-178.3-71.5-178.674.5-170.73.2114.4R41 E42 R47 E48 S49R41-R45 PolarHBondContact O-N 3.47Å; E42-R45 PolarHBondContact O-N 3.28Å; R45-R47 PolarHBondContact O-N 3.2Å; R45-E48 PolarHBondContact O-N 3.38Å; R45-S49 PolarHBondContact O-N 3Å; R45-S49 PolarHBondContact O-OG 3.47Å
46S54.8Low52.2Low84 Ų84137.3 Ų137.359%0.58767%0.674SS**THydrogen-bonded Turntrans-58.4-18.2179.5179.50000114.3E42E42-S46 WeakPolarHBondContact O-CB 3.29Å; E42-S46 PolarHBondContact O-N 3.48Å; E42-S46 VanDerWaalsContact O-N 3.08Å
47R51.8Low51.3Low230 Ų230135 Ų13587%0.86867%0.671SS**THydrogen-bonded Turntrans-88.1-15.9178.3-66.2179.892152.63.3113.8R45R45-R47 PolarHBondContact O-N 3.2Å
48E50.1Low50.8Low173 Ų173133.4 Ų133.481%0.80868%0.677SS**THydrogen-bonded Turntrans-119.2-13.2-169-61.8-179.1170.700113.3R45R45-E48 PolarHBondContact O-N 3.38Å
49S49.5Very low49.8Very low74 Ų74137.4 Ų137.452%0.51770%0.703SS.*SBendtrans-91.92.8-171.861.90000115.8R45 P51R45-S49 PolarHBondContact O-N 3Å; R45-S49 PolarHBondContact O-OG 3.47Å; S49-P51 WeakPolarHBondContact O-CD 3.4Å
50C46.2Very low49.2Very low71 Ų71137.4 Ų137.448%0.4871%0.712SS.*  trans-114.182.5-177.2-60.20000111Y52 S53C50-Y52 PolarHBondContact O-N 3.19Å; C50-S53 WeakPolarHBondContact CB-OG 3.18Å; C50-S53 PolarHBondContact O-N 3.13Å
51P51.4Low48.7Very low117 Ų117134.4 Ų134.476%0.7672%0.715SS**THydrogen-bonded Turntrans-65.5-4.7177.225.9-32.3000113.7S49S49-P51 WeakPolarHBondContact O-CD 3.4Å
52Y39.1Very low47.7Very low215 Ų215132.1 Ų132.184%0.84373%0.725SS**THydrogen-bonded Turntrans-117.68.8-179.4-70.3-79000115C50 R54C50-Y52 PolarHBondContact O-N 3.19Å; Y52-R54 VanDerWaalsContact C-N 3.29Å; Y52-R54 PolarHBondContact O-N 3.37Å
53S48.6Very low47.3Very low93 Ų93133.2 Ų133.265%0.6574%0.742SS**  trans-71.387.3173.2-69.60000110.2C50C50-S53 WeakPolarHBondContact CB-OG 3.18Å; C50-S53 PolarHBondContact O-N 3.13Å
54R45.6Very low47Very low222 Ų222131 Ų13184%0.83874%0.738SS**PPolyproline II helixtrans-70.3136.9167.4-175.1174.3-101.2-108.71.7108.6Y52 T56Y52-R54 VanDerWaalsContact C-N 3.29Å; Y52-R54 PolarHBondContact O-N 3.37Å; R54-T56 PolarHBondContact O-N 3.37Å
55P43.5Very low46.9Very low118 Ų118131.7 Ų131.777%0.76675%0.745SS**PPolyproline II helixtrans-58.3126.1175.3-18.230000109.4
56T45.6Very low46.6Very low129 Ų129132.3 Ų132.379%0.79175%0.753SS**PPolyproline II helixtrans-78118.517956.30000109.4R54R54-T56 PolarHBondContact O-N 3.37Å
57D43.2Very low45.9Very low154 Ų154134.1 Ų134.182%0.82476%0.763SS**  trans-112.1104.5151.7-79.9-34.8000107.9
58S51Low45.6Very low102 Ų102129.9 Ų129.971%0.71375%0.751SS**  trans41.7107.4149.456.20000119.3
59T41Very low45.2Very low140 Ų140127.4 Ų127.486%0.85974%0.743SS**  trans-170.5141.4142.9-65.40000109.6
60P47.4Very low45.1Very low115 Ų115127.4 Ų127.475%0.74776%0.755SS**  trans-87.3145.4-162.433.7-32.8000115
61A47.2Very low45Very low97 Ų97131.1 Ų131.180%0.80276%0.763SS**  trans42.496.1151.400000118.6
62A36.5Very low44.7Very low89 Ų89130.9 Ų130.974%0.73676%0.764SS**  trans-82.3130.2154.300000109.8G64A62-G64 PolarHBondContact O-N 3.47Å
63P48.1Very low45.1Very low136 Ų136128.3 Ų128.388%0.88376%0.76SS**SBendtrans-80.4111.8178.431.5-29.1000108.9
64G43.4Very low45.4Very low61 Ų61128.4 Ų128.463%0.62976%0.761SS**  trans-179.6-12.617800000115.6A62 F66A62-G64 PolarHBondContact O-N 3.47Å; G64-F66 PolarHBondContact O-N 3.28Å
65L47.4Very low45.6Very low167 Ų167123.3 Ų123.387%0.87475%0.745SS**  trans-89.5103.8171.7-75.393.1000109.7
66F46.6Very low46.1Very low191 Ų191125.5 Ų125.584%0.83875%0.745SS**  trans-51.6130.2165-64.3-84000109.5G64 F68G64-F66 PolarHBondContact O-N 3.28Å; F66-F68 PolarHBondContact O-N 3.42Å
67P40Very low46.4Very low123 Ų123120.6 Ų120.680%0.79971%0.713SS**  trans-68.2103.7170.327.4-30.6000107.8N69P67-N69 VanDerWaalsContact C-N 3.32Å; P67-N69 PolarHBondContact O-N 3.2Å
68F46.9Very low47.5Very low140 Ų140117.7 Ų117.761%0.61470%0.702SS**  trans-66.595.5171.9-176.2-102.9000108.5F66 G70 K71F66-F68 PolarHBondContact O-N 3.42Å; F68-G70 PolarHBondContact O-N 3.04Å; F68-K71 WeakPolarHBondContact CE1-O 3.41Å; F68-K71 WeakPolarHBondContact CZ-O 3.17Å
69N41.7Very low48.6Very low121 Ų121114.9 Ų114.965%0.64768%0.681SS**  trans-60.6101.3175.8174.810.1000110.6P67 K71P67-N69 VanDerWaalsContact C-N 3.32Å; P67-N69 PolarHBondContact O-N 3.2Å; N69-K71 PolarHBondContact O-N 3.29Å
70G46.7Very low50.5Low75 Ų75115.4 Ų115.477%0.77367%0.667SS**SBendtrans55.82.3135.800000121F68F68-G70 PolarHBondContact O-N 3.04Å
71K43.3Very low52.1Low148 Ų148112.2 Ų112.264%0.64364%0.644SS**SBendtrans-115.2108.2-174.9-62.7172.5-174.5176.10108.6F68 N69 Q73F68-K71 WeakPolarHBondContact CE1-O 3.41Å; F68-K71 WeakPolarHBondContact CZ-O 3.17Å; N69-K71 PolarHBondContact O-N 3.29Å; K71-Q73 PolarHBondContact O-N 3.34Å
72S45.8Very low53.8Low112 Ų112113 Ų11378%0.78363%0.629SS**  trans14.595.6167.655.70000113.5S74S72-S74 VanDerWaalsContact C-N 3.31Å; S72-S74 PolarHBondContact O-N 3.33Å
73Q48.7Very low56.3Low161 Ų161109.5 Ų109.575%0.75260%0.597SS**  trans-44.396.4176.1-173.2171-8.700109.2K71 F75K71-Q73 PolarHBondContact O-N 3.34Å; Q73-F75 PolarHBondContact O-N 3.05Å
74S54.8Low58.2Low95 Ų95103.4 Ų103.466%0.66456%0.557SS**  trans-64.7124.4175.946.40000105S72 Q76S72-S74 VanDerWaalsContact C-N 3.31Å; S72-S74 PolarHBondContact O-N 3.33Å; S74-Q76 PolarHBondContact O-N 3.07Å
75F49.2Very low60.1Low115 Ų115105 Ų10550%0.50455%0.547SS..  trans-34.2108.9-177.2175.2-103000112.1W32 Q73 H77W32-F75 HydrophobicContact CB-CE1 4.47Å; W32-F75 HydrophobicContact CB-CE2 3.59Å; W32-F75 HydrophobicContact CB-CZ 3.42Å; W32-F75 VanDerWaalsContact CB-CZ 3.42Å; W32-F75 AromaticContact CD1-CZ 3.8Å; W32-F75 HydrophobicContact CG-CE1 4.42Å; W32-F75 HydrophobicContact CG-CE2 4.21Å; W32-F75 AromaticContact CG-CZ 3.77Å; W32-F75 HydrophobicContact CG-CZ 3.77Å; Q73-F75 PolarHBondContact O-N 3.05Å; F75-H77 HydrophobicContact CD1-CB 4.18Å; F75-H77 HydrophobicContact CE1-CB 3.68Å; F75-H77 HydrophobicContact CZ-CB 4.48Å; F75-H77 PolarHBondContact O-N 3.32Å; F75-H77 VanDerWaalsContact O-N 3.14Å
76Q54.1Low62Low165 Ų165100.9 Ų100.977%0.77153%0.532SS*.  trans-79.597.3175-174.9173.4-2.500106.7S74S74-Q76 PolarHBondContact O-N 3.07Å
77H51.9Low63.8Low25 Ų2597 Ų9712%0.11652%0.515CS..  trans-59.7149.2179.8114.2-75.9000110.5F75 V79 R80 Q106 A107 T108F75-H77 HydrophobicContact CD1-CB 4.18Å; F75-H77 HydrophobicContact CE1-CB 3.68Å; F75-H77 HydrophobicContact CZ-CB 4.48Å; F75-H77 PolarHBondContact O-N 3.32Å; F75-H77 VanDerWaalsContact O-N 3.14Å; H77-V79 VanDerWaalsContact C-N 3.27Å; H77-V79 PolarHBondContact CE1-O 3.2Å; H77-V79 VanDerWaalsContact NE2-C 3.25Å; H77-V79 PolarHBondContact NE2-N 3.44Å; H77-V79 PolarHBondContact NE2-O 2.82Å; H77-V79 PolarHBondContact O-N 3.37Å; H77-V79 VanDerWaalsContact O-N 3.09Å; H77-R80 WeakPolarHBondContact CE1-CA 3.11Å; H77-R80 PolarHBondContact CE1-N 3.19Å; H77-R80 PolarHBondContact ND1-N 3.35Å; H77-Q106 PolarHBondContact CD2-O 2.58Å; H77-Q106 PolarHBondContact NE2-O 3.49Å; H77-A107 VanDerWaalsContact NE2-C 3.35Å; H77-A107 VanDerWaalsContact NE2-CA 3.32Å; H77-A107 WeakPolarHBondContact NE2-CA 3.16Å; H77-T108 PolarHBondContact CD2-OG1 3.47Å; H77-T108 WeakPolarHBondContact CE1-CB 3.43Å; H77-T108 PolarHBondContact CE1-N 2.96Å; H77-T108 PolarHBondContact CE1-OG1 3.29Å; H77-T108 VanDerWaalsContact CE1-OG1 3.25Å; H77-T108 PolarHBondContact ND1-OG1 3.34Å; H77-T108 PolarHBondContact NE2-N 2.91Å; H77-T108 PolarHBondContact NE2-OG1 3.36Å
78P66.9Low65.9Low93 Ų9391.9 Ų91.960%0.60448%0.482SS*.THydrogen-bonded Turntrans-64.4-19.3-163.920.8-32.7000115.7V105P78-V105 HydrophobicContact CB-CG1 4.47Å; P78-V105 HydrophobicContact CG-CG1 3.6Å
79V72.9Confident67.7Low44 Ų4491.8 Ų91.827%0.26748%0.482SS..THydrogen-bonded Turntrans-144.672.4-177.2-172.10000112.9H77 L81 L99H77-V79 VanDerWaalsContact C-N 3.27Å; H77-V79 PolarHBondContact CE1-O 3.2Å; H77-V79 VanDerWaalsContact NE2-C 3.25Å; H77-V79 PolarHBondContact NE2-N 3.44Å; H77-V79 PolarHBondContact NE2-O 2.82Å; H77-V79 PolarHBondContact O-N 3.37Å; H77-V79 VanDerWaalsContact O-N 3.09Å; V79-L81 HydrophobicContact CG1-CD2 4.09Å; V79-L81 HydrophobicContact CG1-CG 4.25Å; V79-L81 PolarHBondContact O-N 2.92Å; V79-L99 HydrophobicContact CG1-CD1 4.46Å
80R80.4Confident69.8Low150 Ų15091.2 Ų91.257%0.56648%0.478SS*.EExtended strand (participates in β ladder)trans-82.7107.7178.7-166.9170.3157.8178.4-10.4111.4H77 F82 S110H77-R80 WeakPolarHBondContact CE1-CA 3.11Å; H77-R80 PolarHBondContact CE1-N 3.19Å; H77-R80 PolarHBondContact ND1-N 3.35Å; R80-F82 HydrophobicContact CG-CE2 3.93Å; R80-F82 HydrophobicContact CG-CZ 4.23Å; R80-S110 PolarHBondContact NE-OG 2.8Å; R80-S110 VanDerWaalsContact NE-OG 3.15Å
81L80.9Confident71.6Confident48 Ų4891.6 Ų91.625%0.25146%0.457SS..EExtended strand (participates in β ladder)trans-93.3143.2177.2-58.3-179.6000109.7V79 W83 L99 T108 S110V79-L81 HydrophobicContact CG1-CD2 4.09Å; V79-L81 HydrophobicContact CG1-CG 4.25Å; V79-L81 PolarHBondContact O-N 2.92Å; L81-W83 HydrophobicContact CD1-CZ2 4.44Å; L81-L99 HydrophobicContact CD1-CD1 4.24Å; L81-L99 HydrophobicContact CD1-CD2 3.52Å; L81-T108 PolarHBondContact N-O 3.46Å; L81-S110 PolarHBondContact O-N 2.77Å
82F83.7Confident73.5Confident113 Ų11388.1 Ų88.150%0.49645%0.445SS..EExtended strand (participates in β ladder)trans-118.5122.2174.4-70.9-93.6000108.4R80 S110 Y112R80-F82 HydrophobicContact CG-CE2 3.93Å; R80-F82 HydrophobicContact CG-CZ 4.23Å; F82-S110 CarbonylContact C-O 3.58Å; F82-S110 VanDerWaalsContact CA-O 3.24Å; F82-S110 WeakPolarHBondContact CA-O 3.13Å; F82-Y112 HydrophobicContact CB-CD1 4.22Å
83W88.6Confident75.1Confident17 Ų1791 Ų916%0.06444%0.44CS..EExtended strand (participates in β ladder)trans-117.5144.2177-69.3-15.9000110.9L81 Y91 L92 D95 I109 S110 F111 Y112L81-W83 HydrophobicContact CD1-CZ2 4.44Å; W83-Y91 HydrophobicContact CG-CD2 4.43Å; W83-Y91 WeakPolarHBondContact CH2-O 3.23Å; W83-Y91 WeakPolarHBondContact CZ2-O 3.24Å; W83-L92 HydrophobicContact CH2-CB 4.17Å; W83-L92 HydrophobicContact CH2-CD1 3.95Å; W83-L92 HydrophobicContact CZ3-CB 3.6Å; W83-L92 HydrophobicContact CZ3-CD1 3.57Å; W83-L92 HydrophobicContact CZ3-CG 4.18Å; W83-D95 HydrophobicContact CZ2-CB 4.45Å; W83-I109 HydrophobicContact CB-CG2 4.45Å; W83-I109 HydrophobicContact CD2-CG2 3.82Å; W83-I109 HydrophobicContact CE3-CD1 4.36Å; W83-I109 HydrophobicContact CE3-CG2 3.65Å; W83-I109 HydrophobicContact CG-CG2 4.2Å; W83-I109 HydrophobicContact CH2-CD1 3.64Å; W83-I109 HydrophobicContact CH2-CG1 4.35Å; W83-I109 HydrophobicContact CZ2-CD1 4.32Å; W83-I109 HydrophobicContact CZ3-CD1 3.69Å; W83-I109 HydrophobicContact CZ3-CG1 4.43Å; W83-I109 HydrophobicContact CZ3-CG2 4.1Å; W83-S110 PolarHBondContact N-O 3.08Å; W83-F111 HydrophobicContact CB-CD1 4.18Å; W83-F111 HydrophobicContact CB-CE1 4.24Å; W83-F111 HydrophobicContact CE3-CE1 4.22Å; W83-F111 WeakPolarHBondContact O-CA 3.43Å; W83-Y112 VanDerWaalsContact C-CE1 3.47Å; W83-Y112 WeakPolarHBondContact O-CD1 3.39Å; W83-Y112 PolarHBondContact O-N 3.05Å; W83-Y112 VanDerWaalsContact O-N 3.09Å
84P87.8Confident76.7Confident7 Ų786 Ų865%0.04542%0.423CS..EExtended strand (participates in β ladder)trans-65.8140.6170.627.7-32.9000109.8S86 K87 S88 Y91 Y112 E114P84-S86 VanDerWaalsContact C-N 3.33Å; P84-S86 PolarHBondContact O-N 3.23Å; P84-K87 HydrophobicContact CG-CB 4.24Å; P84-K87 PolarHBondContact O-N 2.8Å; P84-S88 WeakPolarHBondContact O-CA 3.32Å; P84-S88 WeakPolarHBondContact O-CB 3.35Å; P84-S88 PolarHBondContact O-N 3.34Å; P84-Y91 HydrophobicContact CG-CD2 4.37Å; P84-Y91 HydrophobicContact CG-CE2 3.8Å; P84-Y112 HydrophobicContact CB-CE1 4.19Å; P84-Y112 HydrophobicContact CB-CE2 4.25Å; P84-E114 HydrophobicContact CB-CG 3.78Å; P84-E114 WeakPolarHBondContact CB-OE1 3.38Å
85K84.9Confident77.9Confident95 Ų9585.4 Ų85.441%0.41341%0.412SS..SBendtrans-61.4-42.4-179.9-82.6177.1164.4-170.90112.5K87 S88 F111 Y112 E113K85-K87 VanDerWaalsContact C-N 3.31Å; K85-K87 PolarHBondContact O-N 3.04Å; K85-S88 WeakPolarHBondContact O-CB 3.16Å; K85-S88 PolarHBondContact O-N 3.47Å; K85-S88 PolarHBondContact O-OG 3.34Å; K85-F111 HydrophobicContact CD-CB 4.3Å; K85-F111 HydrophobicContact CG-CB 3.57Å; K85-F111 HydrophobicContact CG-CG 4.34Å; K85-Y112 PolarHBondContact N-O 3.22Å; K85-E113 HydrophobicContact CD-CG 4.26Å; K85-E113 WeakPolarHBondContact CD-OE1 3.42Å; K85-E113 WeakPolarHBondContact CD-OE2 3.32Å; K85-E113 WeakPolarHBondContact CE-OE1 3.12Å; K85-E113 IonicContact NZ-OE1 2.58Å; K85-E113 PolarHBondContact NZ-OE1 3.25Å
86S86.3Confident79.4Confident81 Ų8180.3 Ų80.357%0.56639%0.393SS*.THydrogen-bonded Turntrans-51.9-45.2178.852.80000112.5P84 E114P84-S86 VanDerWaalsContact C-N 3.33Å; P84-S86 PolarHBondContact O-N 3.23Å; S86-E114 PolarHBondContact OG-OE2 3.44Å
87K83.5Confident80.6Confident109 Ų10977.7 Ų77.747%0.47438%0.38SS..THydrogen-bonded Turntrans-111.518.9-175-59.3179.9-179.4178.40113.7P84 K85 F89 D90 Y91P84-K87 HydrophobicContact CG-CB 4.24Å; P84-K87 PolarHBondContact O-N 2.8Å; K85-K87 VanDerWaalsContact C-N 3.31Å; K85-K87 PolarHBondContact O-N 3.04Å; K87-F89 PolarHBondContact O-N 2.9Å; K87-D90 PolarHBondContact O-N 3.29Å; K87-Y91 HydrophobicContact CB-CD2 4.1Å; K87-Y91 HydrophobicContact CB-CE2 3.69Å; K87-Y91 WeakPolarHBondContact O-CD2 3.18Å; K87-Y91 PolarHBondContact O-N 3.48Å
88S84.8Confident82Confident15 Ų1581.7 Ų81.711%0.10540%0.403CS..Hα-helixtrans-59.2-34-173.852.20000113.8P84 K85 L92P84-S88 WeakPolarHBondContact O-CA 3.32Å; P84-S88 WeakPolarHBondContact O-CB 3.35Å; P84-S88 PolarHBondContact O-N 3.34Å; K85-S88 WeakPolarHBondContact O-CB 3.16Å; K85-S88 PolarHBondContact O-N 3.47Å; K85-S88 PolarHBondContact O-OG 3.34Å; S88-L92 PolarHBondContact O-N 3.09Å
89F84.3Confident82.5Confident139 Ų13979.1 Ų79.161%0.6138%0.384SS*.Hα-helixtrans-74.4-38.1-179-67.7-73.1000112.8K87 L92 Y93K87-F89 PolarHBondContact O-N 2.9Å; F89-L92 WeakPolarHBondContact O-CB 3.47Å; F89-L92 PolarHBondContact O-N 3.46Å; F89-Y93 WeakPolarHBondContact O-CD2 3.4Å; F89-Y93 PolarHBondContact O-N 3.37Å
90D87.2Confident82.7Confident108 Ų10882.9 Ų82.958%0.57840%0.402SS*.Hα-helixtrans-62.3-49.3180-58.4-38.2000110.5K87 L92 Y93 S94K87-D90 PolarHBondContact O-N 3.29Å; D90-L92 VanDerWaalsContact C-N 3.27Å; D90-L92 PolarHBondContact O-N 2.96Å; D90-Y93 PolarHBondContact O-N 2.99Å; D90-S94 PolarHBondContact O-N 3.17Å; D90-S94 PolarHBondContact O-OG 2.97Å
91Y83.2Confident82.7Confident84 Ų8484.7 Ų84.733%0.32941%0.408SS..Hα-helixtrans-65.7-28.2177.1-62.3-60.3000112.8W83 P84 K87 Y93 D95 G96W83-Y91 HydrophobicContact CG-CD2 4.43Å; W83-Y91 WeakPolarHBondContact CH2-O 3.23Å; W83-Y91 WeakPolarHBondContact CZ2-O 3.24Å; P84-Y91 HydrophobicContact CG-CD2 4.37Å; P84-Y91 HydrophobicContact CG-CE2 3.8Å; K87-Y91 HydrophobicContact CB-CD2 4.1Å; K87-Y91 HydrophobicContact CB-CE2 3.69Å; K87-Y91 WeakPolarHBondContact O-CD2 3.18Å; K87-Y91 PolarHBondContact O-N 3.48Å; Y91-Y93 VanDerWaalsContact C-N 3.34Å; Y91-Y93 PolarHBondContact O-N 3.33Å; Y91-D95 WeakPolarHBondContact O-CB 3.15Å; Y91-D95 PolarHBondContact O-N 3.09Å; Y91-G96 PolarHBondContact O-N 3.39Å
92L83.3Confident82.2Confident74 Ų7488 Ų8839%0.38743%0.426SS..Hα-helixtrans-63.3-41177.3-166.669.9000112.5W83 S88 F89 D90 G96 I109W83-L92 HydrophobicContact CH2-CB 4.17Å; W83-L92 HydrophobicContact CH2-CD1 3.95Å; W83-L92 HydrophobicContact CZ3-CB 3.6Å; W83-L92 HydrophobicContact CZ3-CD1 3.57Å; W83-L92 HydrophobicContact CZ3-CG 4.18Å; S88-L92 PolarHBondContact O-N 3.09Å; F89-L92 WeakPolarHBondContact O-CB 3.47Å; F89-L92 PolarHBondContact O-N 3.46Å; D90-L92 VanDerWaalsContact C-N 3.27Å; D90-L92 PolarHBondContact O-N 2.96Å; L92-G96 WeakPolarHBondContact O-CA 3.24Å; L92-I109 HydrophobicContact CD1-CD1 3.86Å
93Y79.8Confident81.3Confident172 Ų17288.2 Ų88.268%0.67543%0.427SS*.Hα-helixtrans-88.2-40.8-176-66.1-66.3000112.4F89 D90 Y91F89-Y93 WeakPolarHBondContact O-CD2 3.4Å; F89-Y93 PolarHBondContact O-N 3.37Å; D90-Y93 PolarHBondContact O-N 2.99Å; Y91-Y93 VanDerWaalsContact C-N 3.34Å; Y91-Y93 PolarHBondContact O-N 3.33Å
94S82.9Confident80Confident58 Ų5894 Ų9441%0.40647%0.467SS..Hα-helixtrans-74.4-63178.168.90000111.7D90 N98D90-S94 PolarHBondContact O-N 3.17Å; D90-S94 PolarHBondContact O-OG 2.97Å; S94-N98 PolarHBondContact O-OD1 2.96Å
95D79.5Confident78.9Confident81 Ų8196.9 Ų96.943%0.43349%0.485SS..Hα-helixtrans-81.7-28.8-167.7-65.28.6000110.2W83 Y91 L99W83-D95 HydrophobicContact CZ2-CB 4.45Å; Y91-D95 WeakPolarHBondContact O-CB 3.15Å; Y91-D95 PolarHBondContact O-N 3.09Å; D95-L99 WeakPolarHBondContact O-CB 3.12Å; D95-L99 PolarHBondContact O-N 3.28Å
96G80.3Confident78.3Confident9 Ų999.1 Ų99.19%0.09350%0.497CS..Hα-helixtrans-61.8-42.4173.200000113.5Y91 L92 L99 L100Y91-G96 PolarHBondContact O-N 3.39Å; L92-G96 WeakPolarHBondContact O-CA 3.24Å; G96-L99 PolarHBondContact O-N 3.01Å; G96-L100 VanDerWaalsContact O-CG 3.29Å; G96-L100 WeakPolarHBondContact O-CG 3.24Å; G96-L100 PolarHBondContact O-N 2.76Å; G96-L100 VanDerWaalsContact O-N 3.08Å
97E79.6Confident77.8Confident109 Ų10996.8 Ų96.851%0.50948%0.482SS..Hα-helixtrans-64.2-49.8177.4-170.6-174.5172.900110.6L99 L100 R101E97-L99 VanDerWaalsContact C-N 3.28Å; E97-L99 PolarHBondContact O-N 2.86Å; E97-L100 PolarHBondContact O-N 3.14Å; E97-R101 HydrophobicContact CG-CG 4.48Å; E97-R101 VanDerWaalsContact O-CG 3.25Å; E97-R101 WeakPolarHBondContact O-CG 3.44Å; E97-R101 PolarHBondContact O-N 3.48Å; E97-R101 IonicContact OE1-CZ 3.95Å; E97-R101 IonicContact OE1-NE 3.67Å; E97-R101 IonicContact OE1-NH2 3.28Å; E97-R101 PolarHBondContact OE1-NH2 3.43Å
98N81.8Confident77.9Confident110 Ų11094.3 Ų94.359%0.58848%0.476SS*.Hα-helixtrans-60.8-36.5179.3-81.876.5000113S94 N102S94-N98 PolarHBondContact O-OD1 2.96Å; N98-N102 PolarHBondContact O-ND2 3.05Å
99L78Confident77.8Confident39 Ų3996.3 Ų96.320%0.20449%0.485CS..Hα-helixtrans-65.6-48.9176.8-173.878.7000111.4V79 L81 D95 G96 E97 R101 N102 F103 A107V79-L99 HydrophobicContact CG1-CD1 4.46Å; L81-L99 HydrophobicContact CD1-CD1 4.24Å; L81-L99 HydrophobicContact CD1-CD2 3.52Å; D95-L99 WeakPolarHBondContact O-CB 3.12Å; D95-L99 PolarHBondContact O-N 3.28Å; G96-L99 PolarHBondContact O-N 3.01Å; E97-L99 VanDerWaalsContact C-N 3.28Å; E97-L99 PolarHBondContact O-N 2.86Å; L99-R101 VanDerWaalsContact C-N 3.31Å; L99-R101 PolarHBondContact O-N 3.49Å; L99-N102 PolarHBondContact O-N 3.37Å; L99-F103 PolarHBondContact O-N 3.15Å; L99-A107 HydrophobicContact CD2-CB 3.79Å
100L76.5Confident77.9Confident122 Ų12290.8 Ų90.864%0.63946%0.464SS*.Hα-helixtrans-71.1-25.6-176.4-67.5174.9000112.9G96 E97 N102G96-L100 VanDerWaalsContact O-CG 3.29Å; G96-L100 WeakPolarHBondContact O-CG 3.24Å; G96-L100 PolarHBondContact O-N 2.76Å; G96-L100 VanDerWaalsContact O-N 3.08Å; E97-L100 PolarHBondContact O-N 3.14Å; L100-N102 VanDerWaalsContact C-N 3.28Å; L100-N102 PolarHBondContact O-N 3.25Å
101R79.7Confident77.9Confident188 Ų18890.8 Ų90.871%0.70946%0.459SS*.Hα-helixtrans-60.8-33.5176.2-79-76.7-173.5152.85.2113.9E97 L99E97-R101 HydrophobicContact CG-CG 4.48Å; E97-R101 VanDerWaalsContact O-CG 3.25Å; E97-R101 WeakPolarHBondContact O-CG 3.44Å; E97-R101 PolarHBondContact O-N 3.48Å; E97-R101 IonicContact OE1-CZ 3.95Å; E97-R101 IonicContact OE1-NE 3.67Å; E97-R101 IonicContact OE1-NH2 3.28Å; E97-R101 PolarHBondContact OE1-NH2 3.43Å; L99-R101 VanDerWaalsContact C-N 3.31Å; L99-R101 PolarHBondContact O-N 3.49Å
102N70.4Confident77.9Confident118 Ų11891.6 Ų91.663%0.63146%0.462SS*.Hα-helixtrans-108.4-20.9-169.5-64.8-53.1000114N98 L99 L100N98-N102 PolarHBondContact O-ND2 3.05Å; L99-N102 PolarHBondContact O-N 3.37Å; L100-N102 VanDerWaalsContact C-N 3.28Å; L100-N102 PolarHBondContact O-N 3.25Å
103F65.1Low77.9Confident117 Ų11794.3 Ų94.351%0.51347%0.473SS..  trans-121.8105.1-173.4-65.9-80.4000110.6L99 V105L99-F103 PolarHBondContact O-N 3.15Å; F103-V105 PolarHBondContact O-N 2.83Å
104P60.8Low77.5Confident138 Ų13890.5 Ų90.590%0.89646%0.461SS*.  trans-75.943.8170.534.5-35.6000110.5
105V66.1Low76.7Confident69 Ų6993.5 Ų93.542%0.41848%0.482SS..SBendtrans-129.1137.9-178.3165.60000108.4P78 F103 A107P78-V105 HydrophobicContact CB-CG1 4.47Å; P78-V105 HydrophobicContact CG-CG1 3.6Å; F103-V105 PolarHBondContact O-N 2.83Å; V105-A107 PolarHBondContact O-N 2.83Å
106Q71.6Confident75.8Confident142 Ų14295.7 Ų95.766%0.66449%0.494SS*.  trans-63.1118.6177.5-173.3-180-37.700110.3H77H77-Q106 PolarHBondContact CD2-O 2.58Å; H77-Q106 PolarHBondContact NE2-O 3.49Å
107A76.4Confident74.6Confident31 Ų31100.8 Ų100.826%0.25653%0.528SS..  trans-93.6153.8171.700000111.1H77 L99 V105H77-A107 VanDerWaalsContact NE2-C 3.35Å; H77-A107 VanDerWaalsContact NE2-CA 3.32Å; H77-A107 WeakPolarHBondContact NE2-CA 3.16Å; L99-A107 HydrophobicContact CD2-CB 3.79Å; V105-A107 PolarHBondContact O-N 2.83Å
108T84.4Confident73.3Confident58 Ų58102.1 Ų102.136%0.35653%0.534SS..EExtended strand (participates in β ladder)trans-124.9119.6176.4-50.20000108.2H77 L81H77-T108 PolarHBondContact CD2-OG1 3.47Å; H77-T108 WeakPolarHBondContact CE1-CB 3.43Å; H77-T108 PolarHBondContact CE1-N 2.96Å; H77-T108 PolarHBondContact CE1-OG1 3.29Å; H77-T108 VanDerWaalsContact CE1-OG1 3.25Å; H77-T108 PolarHBondContact ND1-OG1 3.34Å; H77-T108 PolarHBondContact NE2-N 2.91Å; H77-T108 PolarHBondContact NE2-OG1 3.36Å; L81-T108 PolarHBondContact N-O 3.46Å
109I84.2Confident71.8Confident56 Ų56103.4 Ų103.429%0.28754%0.541SS..EExtended strand (participates in β ladder)trans-97.9128.1179.7-59.2161.4000108.3W83 L92 F111W83-I109 HydrophobicContact CB-CG2 4.45Å; W83-I109 HydrophobicContact CD2-CG2 3.82Å; W83-I109 HydrophobicContact CE3-CD1 4.36Å; W83-I109 HydrophobicContact CE3-CG2 3.65Å; W83-I109 HydrophobicContact CG-CG2 4.2Å; W83-I109 HydrophobicContact CH2-CD1 3.64Å; W83-I109 HydrophobicContact CH2-CG1 4.35Å; W83-I109 HydrophobicContact CZ2-CD1 4.32Å; W83-I109 HydrophobicContact CZ3-CD1 3.69Å; W83-I109 HydrophobicContact CZ3-CG1 4.43Å; W83-I109 HydrophobicContact CZ3-CG2 4.1Å; L92-I109 HydrophobicContact CD1-CD1 3.86Å; I109-F111 HydrophobicContact CG2-CD1 4.49Å; I109-F111 HydrophobicContact CG2-CE1 3.86Å; I109-F111 HydrophobicContact CG2-CZ 3.97Å
110S85.9Confident70.7Confident24 Ų24107.5 Ų107.517%0.16856%0.563CS.*EExtended strand (participates in β ladder)trans-115.8134.2175.9-62.30000109.7R80 L81 F82 W83R80-S110 PolarHBondContact NE-OG 2.8Å; R80-S110 VanDerWaalsContact NE-OG 3.15Å; L81-S110 PolarHBondContact O-N 2.77Å; F82-S110 CarbonylContact C-O 3.58Å; F82-S110 VanDerWaalsContact CA-O 3.24Å; F82-S110 WeakPolarHBondContact CA-O 3.13Å; W83-S110 PolarHBondContact N-O 3.08Å
111F86.1Confident69.7Low107 Ų107109.4 Ų109.447%0.46957%0.569SS.*EExtended strand (participates in β ladder)trans-97.2137180-60.7-65.8000111.8W83 K85 I109W83-F111 HydrophobicContact CB-CD1 4.18Å; W83-F111 HydrophobicContact CB-CE1 4.24Å; W83-F111 HydrophobicContact CE3-CE1 4.22Å; W83-F111 WeakPolarHBondContact O-CA 3.43Å; K85-F111 HydrophobicContact CD-CB 4.3Å; K85-F111 HydrophobicContact CG-CB 3.57Å; K85-F111 HydrophobicContact CG-CG 4.34Å; I109-F111 HydrophobicContact CG2-CD1 4.49Å; I109-F111 HydrophobicContact CG2-CE1 3.86Å; I109-F111 HydrophobicContact CG2-CZ 3.97Å
112Y82.8Confident68.5Low102 Ų102108.2 Ų108.240%0.457%0.571SS.*EExtended strand (participates in β ladder)trans-118.9149.6171.371.8-87.8000110.9F82 W83 P84 K85 E114F82-Y112 HydrophobicContact CB-CD1 4.22Å; W83-Y112 VanDerWaalsContact C-CE1 3.47Å; W83-Y112 WeakPolarHBondContact O-CD1 3.39Å; W83-Y112 PolarHBondContact O-N 3.05Å; W83-Y112 VanDerWaalsContact O-N 3.09Å; P84-Y112 HydrophobicContact CB-CE1 4.19Å; P84-Y112 HydrophobicContact CB-CE2 4.25Å; K85-Y112 PolarHBondContact N-O 3.22Å; Y112-E114 HydrophobicContact CD2-CG 4.36Å; Y112-E114 HydrophobicContact CE2-CG 3.58Å; Y112-E114 PolarHBondContact OH-OE1 2.88Å
113E83.7Confident67.8Low131 Ų131108.3 Ų108.361%0.61257%0.572SS**  trans-77.4122.5171.3-56-65.817400108K85 S115K85-E113 HydrophobicContact CD-CG 4.26Å; K85-E113 WeakPolarHBondContact CD-OE1 3.42Å; K85-E113 WeakPolarHBondContact CD-OE2 3.32Å; K85-E113 WeakPolarHBondContact CE-OE1 3.12Å; K85-E113 IonicContact NZ-OE1 2.58Å; K85-E113 PolarHBondContact NZ-OE1 3.25Å; E113-S115 PolarHBondContact O-N 2.95Å
114E71.8Confident67.4Low91 Ų91110.4 Ų110.443%0.42558%0.583SS.*  trans-71.4124161.6-79.6174.816500106.5P84 S86 Y112 D116P84-E114 HydrophobicContact CB-CG 3.78Å; P84-E114 WeakPolarHBondContact CB-OE1 3.38Å; S86-E114 PolarHBondContact OG-OE2 3.44Å; Y112-E114 HydrophobicContact CD2-CG 4.36Å; Y112-E114 HydrophobicContact CE2-CG 3.58Å; Y112-E114 PolarHBondContact OH-OE1 2.88Å; E114-D116 PolarHBondContact O-N 3.03Å
115S66.2Low67.3Low122 Ų122110.1 Ų110.185%0.85357%0.57SS**  trans-66.1107.7171.1-132.40000106.1E113 S117E113-S115 PolarHBondContact O-N 2.95Å; S115-S117 PolarHBondContact O-N 3.04Å
116D61Low67.1Low126 Ų126114.9 Ų114.967%0.67458%0.581SS**  trans-61.198.8-176.6-153.510.4000109.7E114 E118E114-D116 PolarHBondContact O-N 3.03Å; D116-E118 WeakPolarHBondContact OD1-CG 3.48Å
117S55Low66.8Low116 Ų116114.2 Ų114.281%0.81158%0.577SS**  trans-102.784.4156.567.40000105.5S115 D119S115-S117 PolarHBondContact O-N 3.04Å; S117-D119 PolarHBondContact O-N 3.31Å
118E52.7Low66.4Low137 Ų137119.7 Ų119.764%0.6460%0.598SS**  trans-49.2123.7177.8-71.8162.6146.300110.9D116 D120D116-E118 WeakPolarHBondContact OD1-CG 3.48Å; E118-D120 HydrophobicContact CB-CB 4.26Å
119D50.1Low65.8Low138 Ų138122.7 Ų122.774%0.73861%0.607SS**  trans-118.283.8148.2-170.433.5000104.1S117S117-D119 PolarHBondContact O-N 3.31Å
120D54.1Low65.4Low125 Ų125125.5 Ų125.567%0.66862%0.621SS**  trans-107.753.4-169.7-142.119.8000108.5E118E118-D120 HydrophobicContact CB-CB 4.26Å
121E55.5Low64.9Low161 Ų161130.5 Ų130.575%0.75264%0.637SS**  trans-95.83.2-176.9-70.7-172.1175.400113.7
122E55.4Low64.5Low164 Ų164128.9 Ų128.977%0.76664%0.639SS**SBendtrans-95.7-9.4-173.1-101.7-177.3-160.100115.7W126E122-W126 VanDerWaalsContact O-CD1 3.23Å; E122-W126 PolarHBondContact O-NE1 3Å
123D54.7Low64.3Low120 Ų120130.6 Ų130.664%0.64265%0.65SS**SBendtrans-92-15.9-174.9-134.611.3000113.8
124E56.9Low64.2Low160 Ų160130.3 Ų130.375%0.74865%0.649SS**Hα-helixtrans-82-24.3-177.3-72.9177.3167.900113.7
125E58.9Low64.5Low132 Ų132133.1 Ų133.162%0.61766%0.66SS**Hα-helixtrans-71.8-36.4-177.4-168.2172.5-161.500112.4E128 E129E125-E128 PolarHBondContact O-N 3.14Å; E125-E129 PolarHBondContact O-N 3.34Å
126W60.9Low65.3Low170 Ų170131.9 Ų131.964%0.64464%0.641SS**Hα-helixtrans-73.2-32.5-176.5-58.9103.5000113.6E122 M130E122-W126 VanDerWaalsContact O-CD1 3.23Å; E122-W126 PolarHBondContact O-NE1 3Å; W126-M130 PolarHBondContact O-N 3.31Å
127E65.3Low66.1Low127 Ų127132.3 Ų132.359%0.59363%0.634SS**Hα-helixtrans-68.2-40.3176.6-65.2-165168.500110.8E129 M130 Y131E127-E129 PolarHBondContact O-N 3.27Å; E127-M130 PolarHBondContact O-N 3.35Å; E127-Y131 WeakPolarHBondContact O-CD2 3.5Å; E127-Y131 PolarHBondContact O-N 2.62Å; E127-Y131 VanDerWaalsContact O-N 3.13Å
128E68.5Low67.3Low147 Ų147132.3 Ų132.369%0.68762%0.624SS**Hα-helixtrans-68.9-33.9-176.8-148.4172.7-145.400112.7E125 S132E125-E128 PolarHBondContact O-N 3.14Å; E128-S132 WeakPolarHBondContact O-CB 3.41Å; E128-S132 PolarHBondContact O-N 3.23Å; E128-S132 PolarHBondContact O-OG 3.17Å
129E72.4Confident68.5Low120 Ų120132.1 Ų132.156%0.56162%0.621SS**Hα-helixtrans-64.5-45171.2-76-163.2157.800112.1E125 E127 Y131 S132 E133E125-E129 PolarHBondContact O-N 3.34Å; E127-E129 PolarHBondContact O-N 3.27Å; E129-Y131 PolarHBondContact O-N 3.25Å; E129-S132 PolarHBondContact O-N 3.26Å; E129-E133 PolarHBondContact O-N 2.98Å
130M76.3Confident69.7Low115 Ų115132.1 Ų132.157%0.56761%0.611SS**Hα-helixtrans-62.9-43.1-179.8-166.1-165.676.500112W126 E127 S132 E133 E134W126-M130 PolarHBondContact O-N 3.31Å; E127-M130 PolarHBondContact O-N 3.35Å; M130-S132 VanDerWaalsContact C-N 3.3Å; M130-S132 PolarHBondContact O-N 2.99Å; M130-E133 PolarHBondContact O-N 2.89Å; M130-E134 PolarHBondContact O-N 3.44Å
131Y73.8Confident70.5Confident129 Ų129130.4 Ų130.451%0.50660%0.599SS.*Hα-helixtrans-66.9-30.2177-84-73.3000113E127 E129 K135E127-Y131 WeakPolarHBondContact O-CD2 3.5Å; E127-Y131 PolarHBondContact O-N 2.62Å; E127-Y131 VanDerWaalsContact O-N 3.13Å; E129-Y131 PolarHBondContact O-N 3.25Å; Y131-K135 WeakPolarHBondContact O-CG 3.22Å; Y131-K135 PolarHBondContact O-N 3.48Å
132S78.6Confident71.1Confident73 Ų73126 Ų12651%0.5159%0.586SS.*Hα-helixtrans-74.2-41.3177.9-67.40000111.7E128 E129 M130 K135 E136E128-S132 WeakPolarHBondContact O-CB 3.41Å; E128-S132 PolarHBondContact O-N 3.23Å; E128-S132 PolarHBondContact O-OG 3.17Å; E129-S132 PolarHBondContact O-N 3.26Å; M130-S132 VanDerWaalsContact C-N 3.3Å; M130-S132 PolarHBondContact O-N 2.99Å; S132-K135 PolarHBondContact O-N 2.97Å; S132-E136 PolarHBondContact O-N 3.02Å
133E77.9Confident71.5Confident138 Ų138124.6 Ų124.665%0.64558%0.579SS**Hα-helixtrans-66.2-38.8178.3-167.2166.4-144.100112.1E129 M130 K135 E136 Y137E129-E133 PolarHBondContact O-N 2.98Å; M130-E133 PolarHBondContact O-N 2.89Å; E133-K135 PolarHBondContact O-N 3.29Å; E133-E136 PolarHBondContact O-N 3.34Å; E133-Y137 PolarHBondContact O-N 2.9Å
134E81.3Confident71.9Confident126 Ų126128.8 Ų128.859%0.58959%0.587SS**Hα-helixtrans-63-40.7176.1-170.9176.1-162.500112.2M130 Y137 L138M130-E134 PolarHBondContact O-N 3.44Å; E134-Y137 PolarHBondContact O-N 2.89Å; E134-L138 PolarHBondContact O-N 2.96Å
135K79.9Confident72Confident150 Ų150126.4 Ų126.465%0.65258%0.584SS**Hα-helixtrans-67.4-36.9175.8-73.9176.6-176.4167.30112.2Y131 S132 E133 K139Y131-K135 WeakPolarHBondContact O-CG 3.22Å; Y131-K135 PolarHBondContact O-N 3.48Å; S132-K135 PolarHBondContact O-N 2.97Å; E133-K135 PolarHBondContact O-N 3.29Å; K135-K139 VanDerWaalsContact O-CB 3.29Å; K135-K139 WeakPolarHBondContact O-CB 3.15Å; K135-K139 PolarHBondContact O-N 3.24Å
136E82.8Confident72Confident96 Ų96125 Ų12545%0.44959%0.588SS.*Hα-helixtrans-67.5-40.1177.1-158-157.3-178.600111.5S132 E133 K139 R140S132-E136 PolarHBondContact O-N 3.02Å; E133-E136 PolarHBondContact O-N 3.34Å; E136-K139 PolarHBondContact O-N 3.1Å; E136-R140 PolarHBondContact O-N 3.22Å; E136-R140 IonicContact OE1-CZ 3.59Å; E136-R140 IonicContact OE1-NH1 2.77Å; E136-R140 PolarHBondContact OE1-NH1 2.88Å; E136-R140 IonicContact OE1-NH2 3.78Å; E136-R140 IonicContact OE2-CZ 3.43Å; E136-R140 IonicContact OE2-NH1 3.28Å; E136-R140 PolarHBondContact OE2-NH1 2.96Å; E136-R140 IonicContact OE2-NH2 2.83Å; E136-R140 PolarHBondContact OE2-NH2 2.87Å
137Y78.1Confident71.8Confident134 Ų134127.3 Ų127.353%0.52560%0.599SS.*Hα-helixtrans-62.3-48.2175.1-178.9-99.4000112.1E133 E134 K139 R140 Q141E133-Y137 PolarHBondContact O-N 2.9Å; E134-Y137 PolarHBondContact O-N 2.89Å; Y137-K139 VanDerWaalsContact C-N 3.3Å; Y137-K139 PolarHBondContact O-N 3.39Å; Y137-R140 PolarHBondContact O-N 2.95Å; Y137-Q141 HydrophobicContact CD1-CG 4.34Å; Y137-Q141 HydrophobicContact CE1-CG 3.96Å; Y137-Q141 VanDerWaalsContact CE1-OE1 3.32Å; Y137-Q141 VanDerWaalsContact CZ-NE2 3.31Å; Y137-Q141 PolarHBondContact O-N 3.17Å; Y137-Q141 PolarHBondContact OH-NE2 3.08Å
138L79.3Confident71.1Confident116 Ų116132.8 Ų132.861%0.60763%0.632SS**Hα-helixtrans-64.5-37.1179.7-165.367.7000111.7E134 Q141 S142E134-L138 PolarHBondContact O-N 2.96Å; L138-Q141 PolarHBondContact O-N 2.73Å; L138-S142 PolarHBondContact O-N 2.73Å
139K78.8Confident71.3Confident134 Ų134132.1 Ų132.158%0.58363%0.63SS**Hα-helixtrans-62.8-48.6173.3-172.3176.2-178.4-176.10111.1K135 E136 Y137 Q141 S142 H143K135-K139 VanDerWaalsContact O-CB 3.29Å; K135-K139 WeakPolarHBondContact O-CB 3.15Å; K135-K139 PolarHBondContact O-N 3.24Å; E136-K139 PolarHBondContact O-N 3.1Å; Y137-K139 VanDerWaalsContact C-N 3.3Å; Y137-K139 PolarHBondContact O-N 3.39Å; K139-Q141 VanDerWaalsContact C-N 3.32Å; K139-Q141 PolarHBondContact O-N 3.1Å; K139-S142 PolarHBondContact O-N 2.92Å; K139-S142 PolarHBondContact O-OG 3.37Å; K139-H143 PolarHBondContact O-CD2 2.84Å; K139-H143 PolarHBondContact O-N 3.13Å
140R74.6Confident71.2Confident137 Ų137132.7 Ų132.752%0.51763%0.633SS.*Hα-helixtrans-58.2-41.7175.9-86.9-163.2-78.1-99.2-5.1112.4E136 Y137 H143E136-R140 PolarHBondContact O-N 3.22Å; E136-R140 IonicContact OE1-CZ 3.59Å; E136-R140 IonicContact OE1-NH1 2.77Å; E136-R140 PolarHBondContact OE1-NH1 2.88Å; E136-R140 IonicContact OE1-NH2 3.78Å; E136-R140 IonicContact OE2-CZ 3.43Å; E136-R140 IonicContact OE2-NH1 3.28Å; E136-R140 PolarHBondContact OE2-NH1 2.96Å; E136-R140 IonicContact OE2-NH2 2.83Å; E136-R140 PolarHBondContact OE2-NH2 2.87Å; Y137-R140 PolarHBondContact O-N 2.95Å; R140-H143 PolarHBondContact O-N 3.35Å
141Q69.9Low70.9Confident89 Ų89133.7 Ų133.742%0.41664%0.637SS.*Hα-helixtrans-64.7-41.4177.3-74.1-168.4-41.200112.4Y137 L138 K139 H143 Y144 T145Y137-Q141 HydrophobicContact CD1-CG 4.34Å; Y137-Q141 HydrophobicContact CE1-CG 3.96Å; Y137-Q141 VanDerWaalsContact CE1-OE1 3.32Å; Y137-Q141 VanDerWaalsContact CZ-NE2 3.31Å; Y137-Q141 PolarHBondContact O-N 3.17Å; Y137-Q141 PolarHBondContact OH-NE2 3.08Å; L138-Q141 PolarHBondContact O-N 2.73Å; K139-Q141 VanDerWaalsContact C-N 3.32Å; K139-Q141 PolarHBondContact O-N 3.1Å; Q141-H143 VanDerWaalsContact C-N 3.26Å; Q141-H143 PolarHBondContact O-N 3.01Å; Q141-Y144 PolarHBondContact O-N 2.72Å; Q141-Y144 VanDerWaalsContact O-N 3.09Å; Q141-T145 PolarHBondContact O-N 2.97Å
142S69.6Low70.8Confident69 Ų69134 Ų13448%0.48365%0.645SS.*Hα-helixtrans-63.1-31178.275.70000113.5L138 K139 Y144 T145L138-S142 PolarHBondContact O-N 2.73Å; K139-S142 PolarHBondContact O-N 2.92Å; K139-S142 PolarHBondContact O-OG 3.37Å; S142-Y144 VanDerWaalsContact C-N 3.28Å; S142-Y144 PolarHBondContact O-N 3.31Å; S142-T145 PolarHBondContact O-OG1 2.87Å
143H64Low70.3Confident135 Ų135137.8 Ų137.863%0.62565%0.653SS**Hα-helixtrans-72.7-20.1176.6-74.8-64.8000113.1K139 R140 Q141K139-H143 PolarHBondContact O-CD2 2.84Å; K139-H143 PolarHBondContact O-N 3.13Å; R140-H143 PolarHBondContact O-N 3.35Å; Q141-H143 VanDerWaalsContact C-N 3.26Å; Q141-H143 PolarHBondContact O-N 3.01Å
144Y62.2Low69.8Low207 Ų207137.8 Ų137.881%0.81265%0.654SS**Hα-helixtrans-86.6-23.9178.9-171.6-101.6000112.9Q141 S142 S146Q141-Y144 PolarHBondContact O-N 2.72Å; Q141-Y144 VanDerWaalsContact O-N 3.09Å; S142-Y144 VanDerWaalsContact C-N 3.28Å; S142-Y144 PolarHBondContact O-N 3.31Å; Y144-S146 VanDerWaalsContact C-N 3.3Å; Y144-S146 PolarHBondContact O-N 2.72Å
145T58.3Low68.9Low111 Ų111138.6 Ų138.668%0.68166%0.658SS**  trans-8613-173.360.40000115Q141 S142 Y147Q141-T145 PolarHBondContact O-N 2.97Å; S142-T145 PolarHBondContact O-OG1 2.87Å; T145-Y147 VanDerWaalsContact C-N 3.34Å; T145-Y147 PolarHBondContact O-N 3.05Å
146S60Low68.1Low101 Ų101137.8 Ų137.871%0.70666%0.659SS**  trans-85.510.9-176.6-170.40000115.4Y144Y144-S146 VanDerWaalsContact C-N 3.3Å; Y144-S146 PolarHBondContact O-N 2.72Å
147Y56.1Low66.9Low219 Ų219141.3 Ų141.386%0.85968%0.676SS**  trans-11488.5170.9-88.3-87.4000110.9T145T145-Y147 VanDerWaalsContact C-N 3.34Å; T145-Y147 PolarHBondContact O-N 3.05Å
148N51.8Low65.9Low243 Ų243141.9 Ų141.9100%1.29969%0.69SS**  trans-163.30142.7-96.7-45.2000109.5

Retrieved 148 of 148 residues in 235.2 ms (Link to these results)