A0A060XE01_ONCMY Loading...

Cold shock domain containing C2

AlphaFold DB , UniProt , Accession A0A060XE01, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110486420, Length 159 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
1M46.8Very low50.3Low247 Ų247146.5 Ų146.5100%1.21785%0.854SS**  0126.40-73.2-177.7170.700106.8
2T51.9Low50.6Low140 Ų140141.1 Ų141.186%0.85984%0.839SS**  trans-77.7138.2-162-310000111.1
3D48.3Very low50.6Low157 Ų157139.8 Ų139.884%0.8484%0.837SS**  trans-120.1119.3164.6-153.9-49.2000108
4P58.4Low50.4Low102 Ų102142.9 Ų142.966%0.66285%0.845SS**  trans-122115160.532.1-18.8000112.4
5S49.8Very low50Low108 Ų108148.1 Ų148.176%0.75585%0.845SS**  trans33.8104.5136.7-600000119.1T7S5-T7 PolarHBondContact O-N 3.46Å
6L49.3Very low50.1Low182 Ų182146.3 Ų146.395%0.95384%0.844SS**  trans-64.4113.9160.1-70.4165.2000110.6
7T52.7Low49.8Very low134 Ų134143.8 Ų143.882%0.82283%0.834SS**PPolyproline II helixtrans-93.2117.2169-65.60000109.1S5S5-T7 PolarHBondContact O-N 3.46Å
8S55.1Low49.6Very low106 Ų106145.3 Ų145.374%0.74184%0.837SS**PPolyproline II helixtrans-81.1142.1167.9-77.40000110.8
9P48Very low49.7Very low125 Ų125144.1 Ų144.181%0.81284%0.838SS**PPolyproline II helixtrans-76.8125.7170.630.3-30.6000110.4E11P9-E11 PolarHBondContact O-N 2.78Å
10S45.9Very low50.1Low122 Ų122141.1 Ų141.185%0.85383%0.831SS**  trans-73.8108.9173.9-177.50000109.9A12S10-A12 PolarHBondContact O-N 2.91Å
11E47.5Very low50Low188 Ų188140.5 Ų140.588%0.87983%0.831SS**PPolyproline II helixtrans-67.3120.9169.1-166.2173.1127.100109.7P9P9-E11 PolarHBondContact O-N 2.78Å
12A54Low50Low82 Ų82136.6 Ų136.668%0.67882%0.815SS**PPolyproline II helixtrans-96.2133.4173.800000109.7S10S10-A12 PolarHBondContact O-N 2.91Å
13P49.8Very low50.2Low124 Ų124134.9 Ų134.981%0.80581%0.808SS**PPolyproline II helixtrans-74.7130.4179.328.7-31.5000110.9R15P13-R15 PolarHBondContact O-N 3.24Å
14L48.8Very low50.1Low183 Ų183134.4 Ų134.496%0.95881%0.805SS**  trans-62.9113.3170-69.8170.8000110.1
15R44.3Very low49.3Very low222 Ų222134.4 Ų134.484%0.83881%0.807SS**  trans-137.5103.9165.9-153.3173.2-170.9-94.31.8109.9P13P13-R15 PolarHBondContact O-N 3.24Å
16S50.5Low49.2Very low119 Ų119137.9 Ų137.983%0.83281%0.809SS**  trans-81.4138.4170.334.70000110.6
17P46.1Very low49.2Very low103 Ų103135 Ų13567%0.66980%0.801SS**  trans-135.1130.6148.630.3-12.9000113.7
18L46.2Very low48.5Very low171 Ų171137.1 Ų137.190%0.89580%0.799SS**  trans48.5101.3149.5-9176.8000119.2A20L18-A20 PolarHBondContact O-N 3.32Å
19S50.6Low48.2Very low122 Ų122139.7 Ų139.785%0.85380%0.804SS**  trans-76.4108.9154.163.30000109.9
20A58.4Low48Very low84 Ų84144.6 Ų144.669%0.69481%0.806SS**  trans-72.1136.1163.300000109.9L18 L22L18-A20 PolarHBondContact O-N 3.32Å; A20-L22 PolarHBondContact O-N 2.78Å
21P48.5Very low48Very low129 Ų129146.6 Ų146.684%0.83880%0.802SS**  trans-73.9122.3175.328.2-30.8000110.2S23P21-S23 PolarHBondContact O-N 3.47Å
22L46.9Very low47.8Very low166 Ų166140.6 Ų140.687%0.86979%0.791SS**  trans-65.8115.4172.3-64.5171.2000109.3A20 L24A20-L22 PolarHBondContact O-N 2.78Å; L22-L24 PolarHBondContact O-N 3.03Å
23S54.3Low47.5Very low103 Ų103142.5 Ų142.572%0.7280%0.799SS**  trans-67.3106.7168.9170.20000109.4P21 S25P21-S23 PolarHBondContact O-N 3.47Å; S23-S25 PolarHBondContact O-N 3.13Å
24L47.2Very low47.5Very low148 Ų148147.8 Ų147.878%0.77580%0.803SS**  trans-72.893.1168.2-79.6162.2000109.4L22 F26L22-L24 PolarHBondContact O-N 3.03Å; L24-F26 HydrophobicContact CB-CE2 4.31Å; L24-F26 PolarHBondContact O-N 3.48Å
25S41.5Very low47.5Very low102 Ų102144.8 Ų144.871%0.71379%0.792SS**  trans-76.9107.1169.8-54.70000109.3S23 P27S23-S25 PolarHBondContact O-N 3.13Å; S25-P27 WeakPolarHBondContact O-CD 3.24Å
26F47.5Very low47.6Very low181 Ų181145.1 Ų145.179%0.79479%0.793SS**  trans-83.4119169.4-78.2-85.3000109.8L24 F28L24-F26 HydrophobicContact CB-CE2 4.31Å; L24-F26 PolarHBondContact O-N 3.48Å; F26-F28 PolarHBondContact O-N 2.95Å
27P48.8Very low47.3Very low121 Ų121147 Ų14779%0.78679%0.789SS**  trans-88.487.117434.6-27000108.2S25S25-P27 WeakPolarHBondContact O-CD 3.24Å
28F39.2Very low47.4Very low178 Ų178153.2 Ų153.278%0.78180%0.799SS**  trans-142.996.4154.3-149.9-96.1000110.1F26 R30F26-F28 PolarHBondContact O-N 2.95Å; F28-R30 HydrophobicContact CD1-CB 4.34Å; F28-R30 PolarHBondContact O-N 2.74Å; F28-R30 VanDerWaalsContact O-N 3.13Å
29L47.4Very low47.5Very low161 Ų161148.8 Ų148.884%0.84380%0.795SS**  trans-68.999.4167.5-162.992.7000107.4
30R43.8Very low47.7Very low227 Ų227147.4 Ų147.486%0.85779%0.791SS**  trans-99.898.9160.6-171.3171.5171.1-163.7-3.2108.5F28F28-R30 HydrophobicContact CD1-CB 4.34Å; F28-R30 PolarHBondContact O-N 2.74Å; F28-R30 VanDerWaalsContact O-N 3.13Å
31E47.4Very low47.2Very low164 Ų164147.6 Ų147.677%0.76679%0.785SS**  trans-42.3136.1163.4-166.981-127.500111.7
32G42.8Very low47Very low62 Ų62147.7 Ų147.764%0.63979%0.786SS**  trans96.598155.300000116.5
33S48.3Very low47.3Very low122 Ų122146.4 Ų146.485%0.85378%0.775SS**  174.299.5108.9-72.10000110V35S33-V35 PolarHBondContact O-N 2.65Å
34R48.5Very low47Very low236 Ų236146.8 Ų146.889%0.89178%0.775SS**  trans-73.6111163.8-65.3177.9172.5-159.6-2.5108.2
35V48.8Very low47.2Very low120 Ų120147 Ų14773%0.72777%0.766SS**  trans-162.293.9143.6108.60000108.3S33S33-V35 PolarHBondContact O-N 2.65Å
36W45.8Very low48.1Very low228 Ų228147 Ų14786%0.86477%0.766SS**  trans-110.383.7150.453.197.3000105.4R38W36-R38 PolarHBondContact O-N 3.15Å
37E45.9Very low48.8Very low160 Ų160140.7 Ų140.775%0.74874%0.74SS**  trans-68.9119.7171.3-160.3167.6-164.200108.4
38R48Very low49.3Very low232 Ų232137.6 Ų137.688%0.87572%0.72SS**SBendtrans9122.7146-100-179.2-74.8-123.2-0.8116.9W36W36-R38 PolarHBondContact O-N 3.15Å
39G48.7Very low50Low79 Ų79134.7 Ų134.781%0.81472%0.722SS**  trans72.869.4135.200000117.2
40A53Low51Low92 Ų92132.4 Ų132.476%0.7672%0.717SS**  trans-90.5132.7155.500000109.4
41P49.7Very low52.1Low89 Ų89123.5 Ų123.558%0.57869%0.686SS**  trans-63.6156.8171.528.4-32.8000109.8Q43P41-Q43 PolarHBondContact O-N 3.19Å
42P43.5Very low53.3Low130 Ų130116.4 Ų116.484%0.84465%0.654SS**  trans-63104-179.926.3-32.9000109.4P44P42-P44 VanDerWaalsContact O-CD 3.29Å; P42-P44 WeakPolarHBondContact O-CD 3.39Å
43Q52.3Low55.1Low139 Ų139115 Ų11565%0.6563%0.633SS**  trans-76117.6175.3-67.1-66.5-7.400108.8P41 R45P41-Q43 PolarHBondContact O-N 3.19Å; Q43-R45 PolarHBondContact O-N 3.17Å
44P48.7Very low56.3Low111 Ų111114.4 Ų114.472%0.72162%0.615SS**THydrogen-bonded Turntrans-70.516.2-175.325-31.4000115P42P42-P44 VanDerWaalsContact O-CD 3.29Å; P42-P44 WeakPolarHBondContact O-CD 3.39Å
45R52.4Low57.6Low154 Ų154114.1 Ų114.158%0.58161%0.614SS**THydrogen-bonded Turntrans-14123.9-161.7-61.5-173.7-177.8-170.4-1.3116.8Q43 L47 D95Q43-R45 PolarHBondContact O-N 3.17Å; R45-L47 PolarHBondContact O-N 3.41Å; R45-D95 IonicContact NH2-OD2 3.15Å
46S60.3Low59Low102 Ų102114.3 Ų114.371%0.71361%0.611SS**  trans-69.583.8177.353.90000112.6K128S46-K128 PolarHBondContact O-NZ 3.34Å
47L61.5Low60.7Low47 Ų47104.8 Ų104.825%0.24658%0.575CS.*PPolyproline II helixtrans-63.8137.1172.6-66.8175.8000108.1R45 S49 L51 F97 K128R45-L47 PolarHBondContact O-N 3.41Å; L47-S49 PolarHBondContact O-N 2.87Å; L47-L51 HydrophobicContact CB-CD1 3.8Å; L47-L51 HydrophobicContact CB-CD2 3.65Å; L47-L51 HydrophobicContact CB-CG 4.18Å; L47-L51 HydrophobicContact CD1-CD1 3.61Å; L47-L51 HydrophobicContact CD1-CD2 4.49Å; L47-L51 HydrophobicContact CG-CD1 4.33Å; L47-L51 HydrophobicContact CG-CD2 4.48Å; L47-F97 HydrophobicContact CD1-CB 4.16Å; L47-F97 HydrophobicContact CD1-CD1 4.44Å; L47-F97 HydrophobicContact CD1-CD2 3.35Å; L47-F97 HydrophobicContact CD1-CE2 3.75Å; L47-F97 HydrophobicContact CD1-CG 3.73Å; L47-F97 HydrophobicContact CD1-CZ 4.47Å; L47-F97 HydrophobicContact CD2-CB 4.47Å; L47-K128 VanDerWaalsContact CA-NZ 3.27Å; L47-K128 HydrophobicContact CD2-CB 4.33Å; L47-K128 HydrophobicContact CD2-CD 3.43Å; L47-K128 VanDerWaalsContact CD2-CD 3.43Å; L47-K128 HydrophobicContact CD2-CG 4.06Å; L47-K128 HydrophobicContact CG-CD 4.44Å
48P58.8Low62.5Low57 Ų57100.8 Ų100.837%0.3756%0.561SS.*PPolyproline II helixtrans-67.4122.4-17827.2-33.9000110.7P50 L51 I122P48-P50 CarbonylContact O-C 3.6Å; P48-L51 HydrophobicContact CG-CD2 4.15Å; P48-L51 WeakPolarHBondContact O-CD2 3.38Å; P48-L51 WeakPolarHBondContact O-CG 3.49Å; P48-L51 PolarHBondContact O-N 3.21Å; P48-I122 HydrophobicContact CG-CG2 3.84Å
49S54.2Low64.4Low116 Ų11699 Ų9981%0.81156%0.556SS**SBendtrans-87.8139.7172.540.90000111L47L47-S49 PolarHBondContact O-N 2.87Å
50P67.8Low66.2Low114 Ų11498.5 Ų98.574%0.7454%0.54SS*.SBendcis-77.2136-8.731.4-32.5000111.8P48P48-P50 CarbonylContact O-C 3.6Å
51L68Low67.9Low39 Ų3994.3 Ų94.320%0.20451%0.505CS..PPolyproline II helixtrans-69.4139.6176.4-68.6166.6000110.1L47 P48 T53 F97 I122L47-L51 HydrophobicContact CB-CD1 3.8Å; L47-L51 HydrophobicContact CB-CD2 3.65Å; L47-L51 HydrophobicContact CB-CG 4.18Å; L47-L51 HydrophobicContact CD1-CD1 3.61Å; L47-L51 HydrophobicContact CD1-CD2 4.49Å; L47-L51 HydrophobicContact CG-CD1 4.33Å; L47-L51 HydrophobicContact CG-CD2 4.48Å; P48-L51 HydrophobicContact CG-CD2 4.15Å; P48-L51 WeakPolarHBondContact O-CD2 3.38Å; P48-L51 WeakPolarHBondContact O-CG 3.49Å; P48-L51 PolarHBondContact O-N 3.21Å; L51-T53 PolarHBondContact O-N 2.88Å; L51-F97 HydrophobicContact CB-CE1 4.31Å; L51-F97 HydrophobicContact CD1-CD1 4.25Å; L51-F97 HydrophobicContact CD1-CE1 3.64Å; L51-F97 HydrophobicContact CD1-CE2 3.94Å; L51-F97 HydrophobicContact CD1-CZ 3.46Å; L51-F97 VanDerWaalsContact CD1-CZ 3.46Å; L51-F97 HydrophobicContact CG-CE1 4.49Å; L51-I122 HydrophobicContact CD2-CD1 3.81Å; L51-I122 HydrophobicContact CD2-CG2 4.46Å
52P73.1Confident69.6Low15 Ų1592.3 Ų92.310%0.09749%0.491CS..PPolyproline II helixtrans-57.8128.3172.3-18.228.7000109.3I122 Q130P52-I122 VanDerWaalsContact CD-CG2 3.42Å; P52-I122 HydrophobicContact CG-CB 4.33Å; P52-I122 HydrophobicContact CG-CG1 4.35Å; P52-I122 HydrophobicContact CG-CG2 3.69Å; P52-Q130 PolarHBondContact O-NE2 3Å; P52-Q130 PolarHBondContact O-OE1 2.96Å; P52-Q130 VanDerWaalsContact O-OE1 3.05Å
53T79.3Confident71.9Confident32 Ų3289.1 Ų89.120%0.19647%0.469CS..  trans-106.2167.516864.10000108.3L51 R55 N56 R57 H99L51-T53 PolarHBondContact O-N 2.88Å; T53-R55 PolarHBondContact O-N 2.81Å; T53-N56 PolarHBondContact O-N 2.95Å; T53-R57 WeakPolarHBondContact O-CB 3.43Å; T53-R57 PolarHBondContact O-N 2.8Å; T53-H99 VanDerWaalsContact CG2-CE1 3.49Å; T53-H99 WeakPolarHBondContact CG2-CE1 3.45Å
54K74.9Confident73.7Confident110 Ų11090.1 Ų90.148%0.47847%0.467SS..THydrogen-bonded Turntrans-45.3-37.1173.8-173172.1179.2172.20113.8S101 D102 E104K54-S101 WeakPolarHBondContact CB-O 2.79Å; K54-S101 WeakPolarHBondContact CD-O 3.38Å; K54-D102 PolarHBondContact N-OD2 2.9Å; K54-E104 IonicContact NZ-OE1 2.75Å
55R75.4Confident75.7Confident231 Ų23185 Ų8587%0.87243%0.434SS*.THydrogen-bonded Turntrans-79.3-28.7-179.6-66.3-178.2-178.9149.90.5114.4T53T53-R55 PolarHBondContact O-N 2.81Å
56N77.5Confident77.5Confident124 Ų12480.4 Ų80.466%0.66342%0.424SS*.THydrogen-bonded Turntrans-107.95.2-174.3-145.453.5000113.1T53T53-N56 PolarHBondContact O-N 2.95Å
57R81.4Confident79Confident27 Ų2780.3 Ų80.310%0.10242%0.423CS..SBendtrans-78.8137.1174.4-173.5179.5-60.6128.510.6109.6T53 A61 D102T53-R57 WeakPolarHBondContact O-CB 3.43Å; T53-R57 PolarHBondContact O-N 2.8Å; R57-A61 HydrophobicContact CG-CB 3.71Å; R57-D102 IonicContact CZ-OD1 2.89Å; R57-D102 IonicContact NH1-OD1 3.12Å; R57-D102 PolarHBondContact NH1-OD1 3.21Å; R57-D102 VanDerWaalsContact NH2-CG 3.33Å; R57-D102 IonicContact NH2-OD1 2.85Å; R57-D102 PolarHBondContact NH2-OD1 3.08Å; R57-D102 IonicContact NH2-OD2 3.79Å; R57-D102 PolarHBondContact NH2-OD2 3.13Å; R57-D102 VanDerWaalsContact NH2-OD2 3.12Å
58T84.8Confident80.4Confident77 Ų7779.3 Ų79.347%0.47242%0.424SS..  trans-64.7146.217759.50000111.3S60 A61 T62T58-S60 VanDerWaalsContact C-N 3.27Å; T58-S60 PolarHBondContact O-N 3.15Å; T58-A61 WeakPolarHBondContact O-CB 3.48Å; T58-A61 PolarHBondContact O-N 3.4Å; T58-A61 VanDerWaalsContact OG1-CB 3.32Å; T58-A61 WeakPolarHBondContact OG1-CB 3.28Å; T58-A61 PolarHBondContact OG1-N 3.36Å; T58-T62 PolarHBondContact O-N 3.16Å; T58-T62 PolarHBondContact O-OG1 2.87Å
59Y86.4Confident82.1Confident195 Ų19580.9 Ų80.977%0.76543%0.434SS*.Hα-helixtrans-51.9-45.8179.2178.1-100.9000112.3A61 T62 V63Y59-A61 VanDerWaalsContact C-N 3.3Å; Y59-A61 PolarHBondContact O-N 2.8Å; Y59-T62 PolarHBondContact O-N 3.01Å; Y59-T62 VanDerWaalsContact O-N 3.16Å; Y59-V63 HydrophobicContact CD1-CG2 4.01Å; Y59-V63 HydrophobicContact CD2-CG2 4.34Å; Y59-V63 HydrophobicContact CE1-CG2 3.57Å; Y59-V63 HydrophobicContact CE2-CG2 3.93Å; Y59-V63 HydrophobicContact CG-CG2 4.38Å; Y59-V63 WeakPolarHBondContact O-CG2 3.15Å; Y59-V63 PolarHBondContact O-N 2.9Å
60S88.1Confident84Confident68 Ų6878.8 Ų78.848%0.47642%0.424SS..Hα-helixtrans-64.7-29178.260.10000113.8T58 R64T58-S60 VanDerWaalsContact C-N 3.27Å; T58-S60 PolarHBondContact O-N 3.15Å; S60-R64 WeakPolarHBondContact O-CB 3.38Å; S60-R64 VanDerWaalsContact O-CG 3.26Å; S60-R64 WeakPolarHBondContact O-CG 3.29Å; S60-R64 PolarHBondContact O-N 3.09Å; S60-R64 PolarHBondContact O-NE 3.28Å
61A87Confident85.4Confident3 Ų376.8 Ų76.83%0.02540%0.403CS..Hα-helixtrans-74.4-37.9173.400000111.7R57 T58 Y59 A65R57-A61 HydrophobicContact CG-CB 3.71Å; T58-A61 WeakPolarHBondContact O-CB 3.48Å; T58-A61 PolarHBondContact O-N 3.4Å; T58-A61 VanDerWaalsContact OG1-CB 3.32Å; T58-A61 WeakPolarHBondContact OG1-CB 3.28Å; T58-A61 PolarHBondContact OG1-N 3.36Å; Y59-A61 VanDerWaalsContact C-N 3.3Å; Y59-A61 PolarHBondContact O-N 2.8Å; A61-A65 WeakPolarHBondContact O-CB 3.35Å; A61-A65 PolarHBondContact O-N 2.79Å; A61-A65 VanDerWaalsContact O-N 3.13Å
62T87.2Confident86.7Confident48 Ų4881.5 Ų81.529%0.29442%0.422SS..Hα-helixtrans-63.3-53173.2-58.40000110.9T58 Y59 R64 A65 T66T58-T62 PolarHBondContact O-N 3.16Å; T58-T62 PolarHBondContact O-OG1 2.87Å; Y59-T62 PolarHBondContact O-N 3.01Å; Y59-T62 VanDerWaalsContact O-N 3.16Å; T62-R64 VanDerWaalsContact C-N 3.32Å; T62-R64 PolarHBondContact O-N 2.77Å; T62-A65 PolarHBondContact O-N 3.48Å; T62-T66 PolarHBondContact O-N 3.44Å; T62-T66 PolarHBondContact O-OG1 2.95Å; T62-T66 VanDerWaalsContact O-OG1 3.07Å
63V90.8Very high87.8Confident63 Ų6380.9 Ų80.938%0.38242%0.419SS..Hα-helixtrans-55.6-45.4-178.8172.20000112Y59 A65 T66 S67Y59-V63 HydrophobicContact CD1-CG2 4.01Å; Y59-V63 HydrophobicContact CD2-CG2 4.34Å; Y59-V63 HydrophobicContact CE1-CG2 3.57Å; Y59-V63 HydrophobicContact CE2-CG2 3.93Å; Y59-V63 HydrophobicContact CG-CG2 4.38Å; Y59-V63 WeakPolarHBondContact O-CG2 3.15Å; Y59-V63 PolarHBondContact O-N 2.9Å; V63-A65 VanDerWaalsContact C-N 3.33Å; V63-A65 PolarHBondContact O-N 2.83Å; V63-T66 PolarHBondContact O-N 2.85Å; V63-S67 PolarHBondContact O-N 2.89Å; V63-S67 PolarHBondContact O-OG 2.95Å; V63-S67 VanDerWaalsContact O-OG 3.11Å
64R90.4Very high88.7Confident159 Ų15981.2 Ų81.260%0.642%0.421SS*.Hα-helixtrans-65.2-35.7177.6-73.4-178.9-64161.91.8113.2S60 T62 S67 G68S60-R64 WeakPolarHBondContact O-CB 3.38Å; S60-R64 VanDerWaalsContact O-CG 3.26Å; S60-R64 WeakPolarHBondContact O-CG 3.29Å; S60-R64 PolarHBondContact O-N 3.09Å; S60-R64 PolarHBondContact O-NE 3.28Å; T62-R64 VanDerWaalsContact C-N 3.32Å; T62-R64 PolarHBondContact O-N 2.77Å; R64-S67 PolarHBondContact O-OG 3.43Å; R64-G68 PolarHBondContact O-N 2.85Å
65A90.3Very high89.7Confident4 Ų476.1 Ų76.13%0.03340%0.399CS..Hα-helixtrans-72.1-43177.500000110.5A61 T62 V63 S67 G68 K118 V132A61-A65 WeakPolarHBondContact O-CB 3.35Å; A61-A65 PolarHBondContact O-N 2.79Å; A61-A65 VanDerWaalsContact O-N 3.13Å; T62-A65 PolarHBondContact O-N 3.48Å; V63-A65 VanDerWaalsContact C-N 3.33Å; V63-A65 PolarHBondContact O-N 2.83Å; A65-S67 PolarHBondContact O-N 3.38Å; A65-G68 PolarHBondContact O-N 3.02Å; A65-G68 VanDerWaalsContact O-N 3.08Å; A65-K118 WeakPolarHBondContact O-CD 3.03Å; A65-V132 HydrophobicContact CB-CG2 3.68Å
66T90.9Very high90.7Very high58 Ų5869.6 Ų69.636%0.35638%0.377SS..Hα-helixtrans-63-39.5177.3-54.40000112.3T62 V63 G68 K118 E133T62-T66 PolarHBondContact O-N 3.44Å; T62-T66 PolarHBondContact O-OG1 2.95Å; T62-T66 VanDerWaalsContact O-OG1 3.07Å; V63-T66 PolarHBondContact O-N 2.85Å; T66-G68 PolarHBondContact O-N 2.61Å; T66-K118 PolarHBondContact O-NZ 2.6Å; T66-E133 VanDerWaalsContact CB-OE1 3.31Å; T66-E133 WeakPolarHBondContact CB-OE1 3.08Å; T66-E133 WeakPolarHBondContact CG2-OE1 3.38Å; T66-E133 PolarHBondContact OG1-OE1 3.35Å
67S92Very high91.5Very high100 Ų10066.2 Ų66.270%0.69936%0.363SS*.THydrogen-bonded Turntrans-78.8-6.8175660000113.9V63 R64 A65V63-S67 PolarHBondContact O-N 2.89Å; V63-S67 PolarHBondContact O-OG 2.95Å; V63-S67 VanDerWaalsContact O-OG 3.11Å; R64-S67 PolarHBondContact O-OG 3.43Å; A65-S67 PolarHBondContact O-N 3.38Å
68G90.8Very high92.1Very high25 Ų2566.5 Ų66.526%0.25837%0.365SS..SBendtrans-76.716817900000113.5R64 A65 T66R64-G68 PolarHBondContact O-N 2.85Å; A65-G68 PolarHBondContact O-N 3.02Å; A65-G68 VanDerWaalsContact O-N 3.08Å; T66-G68 PolarHBondContact O-N 2.61Å
69P93.9Very high92.5Very high90 Ų9065 Ų6558%0.58436%0.357SS*.PPolyproline II helixtrans-63.3145.2175.526.2-33000111.6F71P69-F71 HydrophobicContact CB-CE2 4.24Å; P69-F71 HydrophobicContact CB-CZ 4.19Å; P69-F71 HydrophobicContact CG-CE2 3.74Å; P69-F71 HydrophobicContact CG-CZ 3.65Å; P69-F71 WeakPolarHBondContact O-CD2 3.03Å; P69-F71 WeakPolarHBondContact O-CE2 3.48Å
70A94.3Very high92.7Very high73 Ų7360.5 Ų60.560%0.60334%0.339SS*.EExtended strand (participates in β ladder)trans-86.8137.5169.400000110K118A70-K118 HydrophobicContact CB-CG 4.47Å
71F96.1Very high92.8Very high71 Ų7163.1 Ų63.131%0.31136%0.357SS..EExtended strand (participates in β ladder)trans-115.3161.4178.6-61.9-84.8000110.3P69 T116 Y117 V119P69-F71 HydrophobicContact CB-CE2 4.24Å; P69-F71 HydrophobicContact CB-CZ 4.19Å; P69-F71 HydrophobicContact CG-CE2 3.74Å; P69-F71 HydrophobicContact CG-CZ 3.65Å; P69-F71 WeakPolarHBondContact O-CD2 3.03Å; P69-F71 WeakPolarHBondContact O-CE2 3.48Å; F71-T116 VanDerWaalsContact O-CA 3.29Å; F71-T116 WeakPolarHBondContact O-CA 3.31Å; F71-Y117 HydrophobicContact CB-CD2 4.29Å; F71-Y117 HydrophobicContact CB-CE1 4.06Å; F71-Y117 HydrophobicContact CB-CE2 3.72Å; F71-Y117 HydrophobicContact CD2-CE2 4.39Å; F71-Y117 HydrophobicContact CG-CE2 4.35Å; F71-Y117 PolarHBondContact N-O 2.77Å; F71-Y117 PolarHBondContact O-N 3.27Å; F71-V119 HydrophobicContact CD2-CG2 3.73Å; F71-V119 HydrophobicContact CE2-CB 4.33Å; F71-V119 HydrophobicContact CE2-CG2 3.86Å
72K96.8Very high93Very high138 Ų13869 Ų6960%0.638%0.384SS*.EExtended strand (participates in β ladder)trans-112.4148.4172.8-65.7-175.3178-172.40109.7T90 V115 T116K72-T90 PolarHBondContact O-N 2.82Å; K72-T90 PolarHBondContact O-OG1 3.19Å; K72-V115 WeakPolarHBondContact CA-O 3.17Å; K72-T116 HydrophobicContact CG-CG2 4.02Å
73G96.6Very high93.2Very high2 Ų267.1 Ų67.12%0.02137%0.374CS..EExtended strand (participates in β ladder)trans-163.4-179.9175.800000111.3R88 V115G73-R88 CarbonylContact C-O 3.51Å; G73-R88 WeakPolarHBondContact CA-O 3.32Å; G73-V115 PolarHBondContact N-O 2.82Å; G73-V115 PolarHBondContact O-N 3.46Å
74V96.9Very high93.4Very high39 Ų3967 Ų6724%0.23637%0.37CS..EExtended strand (participates in β ladder)trans-118.5132.9178.3-179.10000108.5K76 R88 D113V74-K76 PolarHBondContact O-N 3.38Å; V74-R88 PolarHBondContact N-O 2.84Å; V74-R88 PolarHBondContact O-N 3.17Å; V74-D113 CarbonylContact C-O 3.56Å; V74-D113 VanDerWaalsContact CA-O 3.29Å; V74-D113 WeakPolarHBondContact CA-O 3.32Å
75C96.4Very high93.6Very high4 Ų459.6 Ų59.63%0.02734%0.343CS..EExtended strand (participates in β ladder)trans-62.5121.6173.3-169.90000109.1V110 E111 G112 D113C75-V110 VanDerWaalsContact CB-O 3.28Å; C75-V110 WeakPolarHBondContact CB-O 3.49Å; C75-E111 WeakPolarHBondContact O-CA 3.35Å; C75-G112 PolarHBondContact O-N 2.97Å; C75-D113 HydrophobicContact CB-CB 4.17Å; C75-D113 PolarHBondContact N-O 2.95Å
76K95.4Very high93.8Very high93 Ų9361.4 Ų61.440%0.40435%0.35SS..EExtended strand (participates in β ladder)trans-89.2-43.5-178.9-179.1175.5-174.9169.30111.4V74 F86 D95V74-K76 PolarHBondContact O-N 3.38Å; K76-F86 HydrophobicContact CB-CB 4.49Å; K76-F86 WeakPolarHBondContact CB-O 3.49Å; K76-F86 PolarHBondContact N-O 3.48Å; K76-D95 WeakPolarHBondContact CD-OD1 3.46Å; K76-D95 WeakPolarHBondContact CD-OD2 3.33Å; K76-D95 VanDerWaalsContact NZ-CG 3.29Å; K76-D95 IonicContact NZ-OD1 2.65Å; K76-D95 PolarHBondContact NZ-OD1 2.74Å; K76-D95 VanDerWaalsContact NZ-OD1 3.15Å; K76-D95 IonicContact NZ-OD2 3.59Å; K76-D95 PolarHBondContact NZ-OD2 2.96Å
77S94.3Very high94.1Very high54 Ų5458.8 Ų58.838%0.37833%0.334SS..EExtended strand (participates in β ladder)trans-163134.5-179590000108.8G85 F86S77-G85 CarbonylContact O-C 3.51Å; S77-G85 WeakPolarHBondContact O-CA 3.49Å; S77-F86 PolarHBondContact N-O 2.79Å; S77-F86 PolarHBondContact O-N 3.21Å
78F95.1Very high94.3Very high33 Ų3360.9 Ų60.915%0.14533%0.326CS..EExtended strand (participates in β ladder)trans-140.1131.2173.7-175.9-97.7000109.8R80 V98 I100 I103 V108 P109 W148F78-R80 HydrophobicContact CE1-CB 4.49Å; F78-V98 HydrophobicContact CD2-CG1 4.44Å; F78-I100 HydrophobicContact CZ-CB 4.03Å; F78-I100 HydrophobicContact CZ-CG1 4.19Å; F78-I103 HydrophobicContact CD2-CD1 3.93Å; F78-I103 HydrophobicContact CE2-CD1 3.3Å; F78-I103 HydrophobicContact CZ-CD1 3.69Å; F78-V108 HydrophobicContact CD1-CG1 3.92Å; F78-V108 HydrophobicContact CE1-CG1 3.88Å; F78-P109 HydrophobicContact CB-CB 4.31Å; F78-P109 WeakPolarHBondContact CB-O 3.23Å; F78-P109 HydrophobicContact CG-CB 4.3Å; F78-P109 HydrophobicContact CG-CG 4.45Å; F78-W148 AromaticContact CE1-CH2 3.68Å; F78-W148 HydrophobicContact CE1-CH2 3.68Å; F78-W148 HydrophobicContact CE1-CZ3 4.19Å; F78-W148 AromaticContact CZ-CH2 3.79Å; F78-W148 HydrophobicContact CZ-CH2 3.79Å; F78-W148 HydrophobicContact CZ-CZ3 4.46Å
79C92.8Very high94.6Very high45 Ų4560.4 Ų60.430%0.30432%0.318SS..EExtended strand (participates in β ladder)trans-115.8109.9177.8-177.40000109.7S81 Q82 G83 H84C79-S81 VanDerWaalsContact C-N 3.31Å; C79-S81 PolarHBondContact O-N 2.8Å; C79-Q82 HydrophobicContact CB-CB 4.02Å; C79-Q82 HydrophobicContact CB-CG 4.22Å; C79-Q82 CarbonylContact O-C 3.4Å; C79-Q82 PolarHBondContact O-N 3.34Å; C79-G83 PolarHBondContact O-N 3.42Å; C79-H84 PolarHBondContact N-O 3.33Å; C79-H84 PolarHBondContact O-N 2.93Å
80R90.8Very high94.6Very high101 Ų10160.8 Ų60.838%0.38132%0.319SS..THydrogen-bonded Turntrans-57.8-42.6178.7-177.5178.1-179.4-174.14.5112.3F78 Q82 G83 V108 E146 W148F78-R80 HydrophobicContact CE1-CB 4.49Å; R80-Q82 VanDerWaalsContact C-N 3.32Å; R80-Q82 PolarHBondContact O-N 2.88Å; R80-G83 PolarHBondContact O-N 2.98Å; R80-V108 HydrophobicContact CB-CG1 4.48Å; R80-E146 IonicContact CZ-OE1 3.34Å; R80-E146 IonicContact NH1-OE1 3.59Å; R80-E146 PolarHBondContact NH1-OE1 3.33Å; R80-E146 IonicContact NH1-OE2 3.8Å; R80-E146 PolarHBondContact NH1-OE2 2.96Å; R80-W148 HydrophobicContact CG-CZ3 4.38Å; R80-W148 PolarHBondContact NH2-O 2.83Å
81S89.9Confident94.4Very high123 Ų12363.8 Ų63.886%0.8633%0.325SS*.THydrogen-bonded Turntrans-63.7-36.6179.8-49.70000112.6C79C79-S81 VanDerWaalsContact C-N 3.31Å; C79-S81 PolarHBondContact O-N 2.8Å
82Q90.9Very high94Very high126 Ų12662.5 Ų62.559%0.58933%0.332SS*.THydrogen-bonded Turntrans-86.1-14.7176.4-64.8-177-13.300113.2C79 R80 H84C79-Q82 HydrophobicContact CB-CB 4.02Å; C79-Q82 HydrophobicContact CB-CG 4.22Å; C79-Q82 CarbonylContact O-C 3.4Å; C79-Q82 PolarHBondContact O-N 3.34Å; R80-Q82 VanDerWaalsContact C-N 3.32Å; R80-Q82 PolarHBondContact O-N 2.88Å; Q82-H84 VanDerWaalsContact C-N 3.29Å; Q82-H84 PolarHBondContact O-N 3.37Å; Q82-H84 PolarHBondContact O-ND1 3.49Å; Q82-H84 PolarHBondContact OE1-CE1 2.85Å
83G92.3Very high93.6Very high9 Ų959.2 Ų59.29%0.09334%0.338CS..THydrogen-bonded Turntrans69.818.717900000114.8C79 R80 I100C79-G83 PolarHBondContact O-N 3.42Å; R80-G83 PolarHBondContact O-N 2.98Å; G83-I100 WeakPolarHBondContact O-CB 3.07Å; G83-I100 WeakPolarHBondContact O-CG2 3.32Å; G83-I100 PolarHBondContact O-N 2.83Å
84H93.7Very high93.4Very high61 Ų6165.9 Ų65.928%0.28237%0.372SS..EExtended strand (participates in β ladder)trans-150.5168.1-179.167.2-90.7000113C79 Q82 F97 V98C79-H84 PolarHBondContact N-O 3.33Å; C79-H84 PolarHBondContact O-N 2.93Å; Q82-H84 VanDerWaalsContact C-N 3.29Å; Q82-H84 PolarHBondContact O-N 3.37Å; Q82-H84 PolarHBondContact O-ND1 3.49Å; Q82-H84 PolarHBondContact OE1-CE1 2.85Å; H84-F97 HydrophobicContact CB-CE2 3.57Å; H84-F97 HydrophobicContact CB-CZ 3.72Å; H84-F97 AromaticContact CD2-CE2 3.76Å; H84-F97 AromaticContact CG-CE2 3.85Å; H84-V98 VanDerWaalsContact CA-O 3.3Å; H84-V98 WeakPolarHBondContact CA-O 3.42Å; H84-V98 WeakPolarHBondContact CB-O 3.47Å
85G94.9Very high93.2Very high3 Ų365.8 Ų65.83%0.03137%0.371CS..EExtended strand (participates in β ladder)trans-166.5-164.2-178.800000113.1S77 V98S77-G85 CarbonylContact O-C 3.51Å; S77-G85 WeakPolarHBondContact O-CA 3.49Å; G85-V98 VanDerWaalsContact C-CG1 3.48Å; G85-V98 PolarHBondContact N-O 2.85Å; G85-V98 WeakPolarHBondContact O-CG1 3.29Å; G85-V98 PolarHBondContact O-N 3.18Å
86F95.9Very high93.1Very high42 Ų4265.9 Ų65.918%0.18437%0.371CS..EExtended strand (participates in β ladder)trans-136.6140.2-178.6-68.6-82.4000111.3K76 S77 D95 I96 F97K76-F86 HydrophobicContact CB-CB 4.49Å; K76-F86 WeakPolarHBondContact CB-O 3.49Å; K76-F86 PolarHBondContact N-O 3.48Å; S77-F86 PolarHBondContact N-O 2.79Å; S77-F86 PolarHBondContact O-N 3.21Å; F86-D95 HydrophobicContact CB-CB 4.19Å; F86-D95 HydrophobicContact CD1-CB 3.97Å; F86-D95 HydrophobicContact CG-CB 4.39Å; F86-I96 CarbonylContact C-O 3.58Å; F86-I96 VanDerWaalsContact CA-O 3.31Å; F86-I96 WeakPolarHBondContact CA-O 3.29Å; F86-F97 HydrophobicContact CE1-CB 4.36Å; F86-F97 HydrophobicContact CE1-CD2 4.31Å; F86-F97 HydrophobicContact CZ-CD2 4.36Å
87I96.8Very high93Very high3 Ų361.8 Ų61.82%0.01535%0.353CS..EExtended strand (participates in β ladder)trans-114.1131.5174.9-62.8164.7000108P89 I96 V98 V115 Y117 A131 V134I87-P89 WeakPolarHBondContact O-CD 3.5Å; I87-I96 PolarHBondContact N-O 3.42Å; I87-I96 PolarHBondContact O-N 3.37Å; I87-V98 HydrophobicContact CD1-CB 3.93Å; I87-V98 HydrophobicContact CD1-CG1 4.09Å; I87-V98 HydrophobicContact CD1-CG2 4.22Å; I87-V98 HydrophobicContact CG1-CB 4.37Å; I87-V98 HydrophobicContact CG1-CG1 4.04Å; I87-V115 HydrophobicContact CD1-CG2 3.9Å; I87-V115 HydrophobicContact CG1-CG2 4.09Å; I87-V115 HydrophobicContact CG2-CG2 3.7Å; I87-Y117 HydrophobicContact CD1-CD1 4.47Å; I87-Y117 HydrophobicContact CG2-CD1 4.06Å; I87-Y117 HydrophobicContact CG2-CE1 3.78Å; I87-A131 HydrophobicContact CD1-CB 3.73Å; I87-V134 HydrophobicContact CD1-CG1 3.84Å; I87-V134 HydrophobicContact CD1-CG2 4.13Å
88R96.5Very high93.1Very high144 Ų14459.3 Ų59.354%0.54334%0.336SS..EExtended strand (participates in β ladder)trans-89.2116.1172.1-173.3171.864.8-175.7-1109.1G73 V74G73-R88 CarbonylContact C-O 3.51Å; G73-R88 WeakPolarHBondContact CA-O 3.32Å; V74-R88 PolarHBondContact N-O 2.84Å; V74-R88 PolarHBondContact O-N 3.17Å
89P96.5Very high93Very high14 Ų1459.6 Ų59.69%0.09134%0.337CS..EExtended strand (participates in β ladder)trans-62141.3177.423.9-33.2000111.6I87 N91 G92 D94 I96 Y117I87-P89 WeakPolarHBondContact O-CD 3.5Å; P89-N91 VanDerWaalsContact C-N 3.25Å; P89-N91 PolarHBondContact O-N 3.27Å; P89-G92 WeakPolarHBondContact CG-O 3.3Å; P89-G92 PolarHBondContact O-N 3.12Å; P89-D94 WeakPolarHBondContact CD-O 3.3Å; P89-I96 HydrophobicContact CB-CD1 4.37Å; P89-I96 HydrophobicContact CG-CD1 4.49Å; P89-Y117 WeakPolarHBondContact CB-OH 3.29Å
90T95Very high93.1Very high98 Ų9859.9 Ų59.960%0.60134%0.335SS*.THydrogen-bonded Turntrans-66.6-30.5174.7-54.50000111.8K72 G92K72-T90 PolarHBondContact O-N 2.82Å; K72-T90 PolarHBondContact O-OG1 3.19Å; T90-G92 PolarHBondContact O-N 2.83Å; T90-G92 VanDerWaalsContact O-N 3.17Å
91N89.2Confident93.2Very high136 Ų13656.9 Ų56.973%0.72733%0.33SS*.THydrogen-bonded Turntrans-71.8-0.1176.1-62.879.3000113.7P89P89-N91 VanDerWaalsContact C-N 3.25Å; P89-N91 PolarHBondContact O-N 3.27Å
92G86.9Confident93.4Very high45 Ų4551.1 Ų51.146%0.46429%0.29SS..  trans75.8179.2-171.400000112.9P89 T90P89-G92 WeakPolarHBondContact CG-O 3.3Å; P89-G92 PolarHBondContact O-N 3.12Å; T90-G92 PolarHBondContact O-N 2.83Å; T90-G92 VanDerWaalsContact O-N 3.17Å
93G89.1Confident93.6Very high69 Ų6946 Ų4671%0.71127%0.266SS*.SBendtrans105.2-164.1-176.400000113.5
94D91.4Very high93.6Very high141 Ų14148.4 Ų48.475%0.75428%0.275SS*.SBendtrans-70.8149.1-177.7-69.4-63.8000112.8P89 I96P89-D94 WeakPolarHBondContact CD-O 3.3Å; D94-I96 PolarHBondContact O-N 3.34Å
95D94.1Very high93.5Very high38 Ų3848.2 Ų48.220%0.20329%0.289CS..PPolyproline II helixtrans-62.5132172.9-62.4-34.8000110.3R45 K76 F86R45-D95 IonicContact NH2-OD2 3.15Å; K76-D95 WeakPolarHBondContact CD-OD1 3.46Å; K76-D95 WeakPolarHBondContact CD-OD2 3.33Å; K76-D95 VanDerWaalsContact NZ-CG 3.29Å; K76-D95 IonicContact NZ-OD1 2.65Å; K76-D95 PolarHBondContact NZ-OD1 2.74Å; K76-D95 VanDerWaalsContact NZ-OD1 3.15Å; K76-D95 IonicContact NZ-OD2 3.59Å; K76-D95 PolarHBondContact NZ-OD2 2.96Å; F86-D95 HydrophobicContact CB-CB 4.19Å; F86-D95 HydrophobicContact CD1-CB 3.97Å; F86-D95 HydrophobicContact CG-CB 4.39Å
96I94.2Very high93.3Very high6 Ų654.9 Ų54.93%0.03132%0.32CS..EExtended strand (participates in β ladder)trans-95.7128.8-176.3-53.3-178.7000109.2F86 I87 P89 D94 Y117 V119 I129 A131F86-I96 CarbonylContact C-O 3.58Å; F86-I96 VanDerWaalsContact CA-O 3.31Å; F86-I96 WeakPolarHBondContact CA-O 3.29Å; I87-I96 PolarHBondContact N-O 3.42Å; I87-I96 PolarHBondContact O-N 3.37Å; P89-I96 HydrophobicContact CB-CD1 4.37Å; P89-I96 HydrophobicContact CG-CD1 4.49Å; D94-I96 PolarHBondContact O-N 3.34Å; I96-Y117 HydrophobicContact CD1-CD2 4.49Å; I96-Y117 HydrophobicContact CD1-CE2 3.42Å; I96-Y117 VanDerWaalsContact CD1-CE2 3.42Å; I96-Y117 VanDerWaalsContact CD1-OH 3.3Å; I96-Y117 WeakPolarHBondContact CD1-OH 3.33Å; I96-V119 HydrophobicContact CD1-CG2 4.47Å; I96-I129 HydrophobicContact CD1-CD1 3.82Å; I96-I129 HydrophobicContact CG1-CD1 3.64Å; I96-I129 HydrophobicContact CG1-CG1 4.22Å; I96-I129 HydrophobicContact CG2-CD1 4.34Å; I96-I129 HydrophobicContact CG2-CG1 4.16Å; I96-A131 HydrophobicContact CG2-CB 3.8Å
97F93.7Very high93.1Very high7 Ų756.4 Ų56.43%0.03133%0.325CS..EExtended strand (participates in β ladder)trans-68.8134.8177.4176.7-104000111.2L47 L51 H84 F86 H99 Q130 A131L47-F97 HydrophobicContact CD1-CB 4.16Å; L47-F97 HydrophobicContact CD1-CD1 4.44Å; L47-F97 HydrophobicContact CD1-CD2 3.35Å; L47-F97 HydrophobicContact CD1-CE2 3.75Å; L47-F97 HydrophobicContact CD1-CG 3.73Å; L47-F97 HydrophobicContact CD1-CZ 4.47Å; L47-F97 HydrophobicContact CD2-CB 4.47Å; L51-F97 HydrophobicContact CB-CE1 4.31Å; L51-F97 HydrophobicContact CD1-CD1 4.25Å; L51-F97 HydrophobicContact CD1-CE1 3.64Å; L51-F97 HydrophobicContact CD1-CE2 3.94Å; L51-F97 HydrophobicContact CD1-CZ 3.46Å; L51-F97 VanDerWaalsContact CD1-CZ 3.46Å; L51-F97 HydrophobicContact CG-CE1 4.49Å; H84-F97 HydrophobicContact CB-CE2 3.57Å; H84-F97 HydrophobicContact CB-CZ 3.72Å; H84-F97 AromaticContact CD2-CE2 3.76Å; H84-F97 AromaticContact CG-CE2 3.85Å; F86-F97 HydrophobicContact CE1-CB 4.36Å; F86-F97 HydrophobicContact CE1-CD2 4.31Å; F86-F97 HydrophobicContact CZ-CD2 4.36Å; F97-H99 HydrophobicContact CE1-CB 4.15Å; F97-H99 HydrophobicContact CZ-CB 4.46Å; F97-Q130 HydrophobicContact CD1-CG 4.11Å; F97-Q130 CarbonylContact O-C 3.53Å; F97-Q130 WeakPolarHBondContact O-CA 3.39Å; F97-A131 PolarHBondContact O-N 3.5Å
98V94.7Very high93Very high2 Ų256.8 Ų56.81%0.01233%0.327CS..EExtended strand (participates in β ladder)trans-126.4139.4172.960.10000110.4F78 H84 G85 I87 I103 A131 V134F78-V98 HydrophobicContact CD2-CG1 4.44Å; H84-V98 VanDerWaalsContact CA-O 3.3Å; H84-V98 WeakPolarHBondContact CA-O 3.42Å; H84-V98 WeakPolarHBondContact CB-O 3.47Å; G85-V98 VanDerWaalsContact C-CG1 3.48Å; G85-V98 PolarHBondContact N-O 2.85Å; G85-V98 WeakPolarHBondContact O-CG1 3.29Å; G85-V98 PolarHBondContact O-N 3.18Å; I87-V98 HydrophobicContact CD1-CB 3.93Å; I87-V98 HydrophobicContact CD1-CG1 4.09Å; I87-V98 HydrophobicContact CD1-CG2 4.22Å; I87-V98 HydrophobicContact CG1-CB 4.37Å; I87-V98 HydrophobicContact CG1-CG1 4.04Å; V98-I103 HydrophobicContact CG2-CD1 3.91Å; V98-I103 HydrophobicContact CG2-CG1 3.71Å; V98-A131 HydrophobicContact CB-CB 4.19Å; V98-A131 HydrophobicContact CG2-CB 4.46Å; V98-V134 HydrophobicContact CG2-CB 4.48Å; V98-V134 HydrophobicContact CG2-CG2 3.76Å
99H94.6Very high92.9Very high38 Ų3850.2 Ų50.218%0.17630%0.303CS..EExtended strand (participates in β ladder)trans-108.7146.4174.3-170.6-96.3000110T53 F97 S101 D102T53-H99 VanDerWaalsContact CG2-CE1 3.49Å; T53-H99 WeakPolarHBondContact CG2-CE1 3.45Å; F97-H99 HydrophobicContact CE1-CB 4.15Å; F97-H99 HydrophobicContact CZ-CB 4.46Å; H99-S101 PolarHBondContact CE1-OG 2.87Å; H99-S101 WeakPolarHBondContact ND1-CB 3.39Å; H99-S101 PolarHBondContact ND1-N 2.8Å; H99-S101 PolarHBondContact ND1-OG 2.98Å; H99-S101 VanDerWaalsContact ND1-OG 3.08Å; H99-S101 PolarHBondContact O-N 2.79Å; H99-S101 VanDerWaalsContact O-N 3.13Å; H99-D102 PolarHBondContact O-N 2.69Å
100I94Very high92.8Very high51 Ų5151.1 Ų51.126%0.26231%0.308SS..G310 helixtrans-51.6-38.4179.5-172.8168.5000112.8F78 G83 D102 I103 W148F78-I100 HydrophobicContact CZ-CB 4.03Å; F78-I100 HydrophobicContact CZ-CG1 4.19Å; G83-I100 WeakPolarHBondContact O-CB 3.07Å; G83-I100 WeakPolarHBondContact O-CG2 3.32Å; G83-I100 PolarHBondContact O-N 2.83Å; I100-D102 PolarHBondContact O-N 2.79Å; I100-I103 PolarHBondContact O-N 2.88Å; I100-W148 HydrophobicContact CD1-CE3 4Å; I100-W148 HydrophobicContact CD1-CH2 3.78Å; I100-W148 HydrophobicContact CD1-CZ3 3.32Å; I100-W148 HydrophobicContact CG1-CH2 3.66Å; I100-W148 HydrophobicContact CG1-CZ2 4.35Å; I100-W148 HydrophobicContact CG1-CZ3 3.75Å
101S93.4Very high92.8Very high38 Ų3852.7 Ų52.727%0.26631%0.309SS..G310 helixtrans-67.5-17.9179.4-47.50000114.5K54 H99K54-S101 WeakPolarHBondContact CB-O 2.79Å; K54-S101 WeakPolarHBondContact CD-O 3.38Å; H99-S101 PolarHBondContact CE1-OG 2.87Å; H99-S101 WeakPolarHBondContact ND1-CB 3.39Å; H99-S101 PolarHBondContact ND1-N 2.8Å; H99-S101 PolarHBondContact ND1-OG 2.98Å; H99-S101 VanDerWaalsContact ND1-OG 3.08Å; H99-S101 PolarHBondContact O-N 2.79Å; H99-S101 VanDerWaalsContact O-N 3.13Å
102D94.4Very high93Very high3 Ų347.6 Ų47.62%0.01629%0.289CS..G310 helixtrans-96.8-3.7179-75.1-77.4000112.4K54 R57 H99 I100 E133 V134K54-D102 PolarHBondContact N-OD2 2.9Å; R57-D102 IonicContact CZ-OD1 2.89Å; R57-D102 IonicContact NH1-OD1 3.12Å; R57-D102 PolarHBondContact NH1-OD1 3.21Å; R57-D102 VanDerWaalsContact NH2-CG 3.33Å; R57-D102 IonicContact NH2-OD1 2.85Å; R57-D102 PolarHBondContact NH2-OD1 3.08Å; R57-D102 IonicContact NH2-OD2 3.79Å; R57-D102 PolarHBondContact NH2-OD2 3.13Å; R57-D102 VanDerWaalsContact NH2-OD2 3.12Å; H99-D102 PolarHBondContact O-N 2.69Å; I100-D102 PolarHBondContact O-N 2.79Å; D102-E133 PolarHBondContact O-N 2.81Å; D102-V134 PolarHBondContact O-N 3.15Å
103I94.4Very high93.4Very high17 Ų1745.5 Ų45.59%0.08727%0.267CS..EExtended strand (participates in β ladder)trans-87132.6174.4-64.3157.6000109.2F78 V98 I100 P109 V134 W148F78-I103 HydrophobicContact CD2-CD1 3.93Å; F78-I103 HydrophobicContact CE2-CD1 3.3Å; F78-I103 HydrophobicContact CZ-CD1 3.69Å; V98-I103 HydrophobicContact CG2-CD1 3.91Å; V98-I103 HydrophobicContact CG2-CG1 3.71Å; I100-I103 PolarHBondContact O-N 2.88Å; I103-P109 HydrophobicContact CD1-CG 3.61Å; I103-P109 HydrophobicContact CG1-CG 4.22Å; I103-P109 HydrophobicContact CG2-CG 3.91Å; I103-V134 HydrophobicContact CG1-CB 4.16Å; I103-V134 HydrophobicContact CG1-CG1 4.47Å; I103-W148 HydrophobicContact CB-CZ2 4.42Å; I103-W148 HydrophobicContact CG2-CZ2 3.96Å
104E92.9Very high93.8Very high61 Ų6146.7 Ų46.729%0.28525%0.254SS..EExtended strand (participates in β ladder)trans-110.6153.9176.9-55.2-165.2151.800110.2K54 V134 K135K54-E104 IonicContact NZ-OE1 2.75Å; E104-V134 PolarHBondContact N-O 3.01Å; E104-K135 HydrophobicContact CB-CG 4.12Å; E104-K135 WeakPolarHBondContact OE2-CE 3.18Å; E104-K135 IonicContact OE2-NZ 3.72Å
105G90.8Very high94Very high57 Ų5740.1 Ų40.159%0.58822%0.219SC*.SBendtrans99.5-179.6-177.200000113.1W148G105-W148 PolarHBondContact O-NE1 3.19Å; G105-W148 VanDerWaalsContact O-NE1 3.12Å
106E90.9Very high94.2Very high142 Ų14240.2 Ų40.266%0.66422%0.221SC*.SBendtrans-93.7-20.7-171.7-62.3-179.5133.900112.9T147 W148E106-T147 CarbonylContact O-C 3.4Å; E106-T147 WeakPolarHBondContact O-CA 3.46Å; E106-T147 VanDerWaalsContact O-CB 3.23Å; E106-T147 WeakPolarHBondContact O-CB 3.4Å; E106-W148 VanDerWaalsContact C-CD1 3.46Å; E106-W148 PolarHBondContact O-N 3.38Å
107Y92.1Very high94.3Very high74 Ų7440.2 Ų40.229%0.2922%0.22SC..BIsolated β-bridgetrans-87141.1-175.5-60.2-84.5000112.3L139 H145 T147 W148 I153Y107-L139 HydrophobicContact CD1-CD1 4.17Å; Y107-L139 HydrophobicContact CD1-CD2 4.15Å; Y107-L139 HydrophobicContact CD2-CD2 4.46Å; Y107-L139 HydrophobicContact CE1-CD1 3.88Å; Y107-L139 HydrophobicContact CE2-CD1 4.4Å; Y107-L139 HydrophobicContact CG-CD2 4.02Å; Y107-H145 HydrophobicContact CD1-CB 4.23Å; Y107-T147 HydrophobicContact CD1-CG2 4.27Å; Y107-T147 HydrophobicContact CE1-CG2 4.39Å; Y107-W148 PolarHBondContact O-NE1 2.89Å; Y107-I153 HydrophobicContact CD1-CD1 4.35Å; Y107-I153 HydrophobicContact CE1-CD1 3.42Å; Y107-I153 VanDerWaalsContact CE1-CD1 3.42Å
108V93.7Very high94.4Very high11 Ų1141.8 Ų41.87%0.06723%0.227CC..PPolyproline II helixtrans-77.7122.4167.3-177.10000107.5F78 R80 V110 E146 W148F78-V108 HydrophobicContact CD1-CG1 3.92Å; F78-V108 HydrophobicContact CE1-CG1 3.88Å; R80-V108 HydrophobicContact CB-CG1 4.48Å; V108-V110 PolarHBondContact O-N 3.49Å; V108-E146 WeakPolarHBondContact CB-O 3.48Å; V108-E146 HydrophobicContact CG2-CB 4.27Å; V108-E146 WeakPolarHBondContact CG2-O 3.39Å; V108-E146 PolarHBondContact N-O 2.85Å; V108-W148 HydrophobicContact CB-CH2 4.29Å; V108-W148 HydrophobicContact CB-CZ3 4.3Å; V108-W148 HydrophobicContact CG1-CH2 4.08Å; V108-W148 HydrophobicContact CG1-CZ3 4.1Å; V108-W148 HydrophobicContact CG2-CD2 3.97Å; V108-W148 HydrophobicContact CG2-CE3 3.63Å; V108-W148 HydrophobicContact CG2-CH2 4.15Å; V108-W148 HydrophobicContact CG2-CZ2 4.47Å; V108-W148 HydrophobicContact CG2-CZ3 3.72Å
109P94.4Very high94.3Very high7 Ų743.8 Ų43.85%0.04524%0.239CC..PPolyproline II helixtrans-60.9135.1179.1-21.130.3000111.6F78 I103 I136F78-P109 HydrophobicContact CB-CB 4.31Å; F78-P109 WeakPolarHBondContact CB-O 3.23Å; F78-P109 HydrophobicContact CG-CB 4.3Å; F78-P109 HydrophobicContact CG-CG 4.45Å; I103-P109 HydrophobicContact CD1-CG 3.61Å; I103-P109 HydrophobicContact CG1-CG 4.22Å; I103-P109 HydrophobicContact CG2-CG 3.91Å; P109-I136 HydrophobicContact CB-CD1 4.34Å; P109-I136 HydrophobicContact CG-CD1 4.09Å
110V94.5Very high94.2Very high32 Ų3242.3 Ų42.319%0.19423%0.234CC..  trans-116.9157.8175.2-170.70000109.8C75 V108 G112 D113 T143C75-V110 VanDerWaalsContact CB-O 3.28Å; C75-V110 WeakPolarHBondContact CB-O 3.49Å; V108-V110 PolarHBondContact O-N 3.49Å; V110-G112 PolarHBondContact O-N 2.92Å; V110-D113 PolarHBondContact N-OD2 3.12Å; V110-D113 WeakPolarHBondContact O-CB 3.44Å; V110-D113 VanDerWaalsContact O-CG 3.3Å; V110-D113 PolarHBondContact O-N 3.4Å; V110-D113 VanDerWaalsContact O-N 3.15Å; V110-T143 HydrophobicContact CB-CG2 4.41Å; V110-T143 HydrophobicContact CG1-CG2 3.52Å
111E94.8Very high93.9Very high131 Ų13148.1 Ų48.161%0.61225%0.252SS*.THydrogen-bonded Turntrans-55.3133174.362.5-178.6-179.100111.5C75 N140C75-E111 WeakPolarHBondContact O-CA 3.35Å; E111-N140 PolarHBondContact O-ND2 3.07Å
112G94.8Very high93.5Very high30 Ų3046.5 Ų46.531%0.30924%0.24SC..THydrogen-bonded Turntrans91.8-9.6-17700000115.1C75 V110 E114C75-G112 PolarHBondContact O-N 2.97Å; V110-G112 PolarHBondContact O-N 2.92Å; G112-E114 PolarHBondContact O-N 3.23Å
113D95.4Very high92.7Very high0 Ų049.2 Ų49.20%026%0.258CS..  trans-66133.5177.4-72.8-14000111.9V74 C75 V110 V115 I136 N140 H145V74-D113 CarbonylContact C-O 3.56Å; V74-D113 VanDerWaalsContact CA-O 3.29Å; V74-D113 WeakPolarHBondContact CA-O 3.32Å; C75-D113 HydrophobicContact CB-CB 4.17Å; C75-D113 PolarHBondContact N-O 2.95Å; V110-D113 PolarHBondContact N-OD2 3.12Å; V110-D113 WeakPolarHBondContact O-CB 3.44Å; V110-D113 VanDerWaalsContact O-CG 3.3Å; V110-D113 PolarHBondContact O-N 3.4Å; V110-D113 VanDerWaalsContact O-N 3.15Å; D113-V115 HydrophobicContact CB-CG1 4.47Å; D113-I136 HydrophobicContact CB-CG2 4.25Å; D113-N140 WeakPolarHBondContact OD1-CB 3.2Å; D113-N140 PolarHBondContact OD1-N 2.89Å; D113-H145 IonicContact OD1-CE1 2.61Å; D113-H145 PolarHBondContact OD1-CE1 2.85Å; D113-H145 IonicContact OD1-NE2 3.93Å; D113-H145 IonicContact OD2-CE1 3.99Å; D113-H145 IonicContact OD2-ND1 2.95Å
114E96.1Very high91.8Very high95 Ų9553.8 Ų53.844%0.44429%0.289SS..EExtended strand (participates in β ladder)trans-81.4126.1171.8-61.4-168.9-178.600109.8G112 V137 H138G112-E114 PolarHBondContact O-N 3.23Å; E114-V137 PolarHBondContact O-N 3.48Å; E114-H138 HydrophobicContact CB-CB 3.98Å; E114-H138 HydrophobicContact CG-CB 4.21Å; E114-H138 PolarHBondContact N-O 3.39Å; E114-H138 PolarHBondContact O-N 3.08Å; E114-H138 IonicContact OE2-CE1 3.09Å; E114-H138 IonicContact OE2-CG 3.77Å; E114-H138 IonicContact OE2-ND1 2.74Å; E114-H138 PolarHBondContact OE2-ND1 3.31Å
115V97Very high90.9Very high3 Ų358.9 Ų58.92%0.01831%0.31CS..EExtended strand (participates in β ladder)trans-127.2146.3-176.6-59.30000111.2K72 G73 I87 D113 Y117 V134 K135 I136K72-V115 WeakPolarHBondContact CA-O 3.17Å; G73-V115 PolarHBondContact N-O 2.82Å; G73-V115 PolarHBondContact O-N 3.46Å; I87-V115 HydrophobicContact CD1-CG2 3.9Å; I87-V115 HydrophobicContact CG1-CG2 4.09Å; I87-V115 HydrophobicContact CG2-CG2 3.7Å; D113-V115 HydrophobicContact CB-CG1 4.47Å; V115-Y117 HydrophobicContact CG2-CD1 4.29Å; V115-V134 HydrophobicContact CB-CG1 3.98Å; V115-V134 HydrophobicContact CG1-CG1 4.29Å; V115-V134 HydrophobicContact CG2-CG1 4.28Å; V115-K135 CarbonylContact C-O 3.43Å; V115-K135 VanDerWaalsContact CA-O 3.29Å; V115-K135 WeakPolarHBondContact CA-O 3.33Å; V115-I136 HydrophobicContact CG1-CB 4.46Å; V115-I136 HydrophobicContact CG1-CG1 3.93Å
116T97Very high90.4Very high39 Ų3959.6 Ų59.624%0.23930%0.301CS..EExtended strand (participates in β ladder)trans-101.7141.1163.849.80000109.2F71 K72 V134 K135 V137F71-T116 VanDerWaalsContact O-CA 3.29Å; F71-T116 WeakPolarHBondContact O-CA 3.31Å; K72-T116 HydrophobicContact CG-CG2 4.02Å; T116-V134 CarbonylContact O-C 3.58Å; T116-V134 WeakPolarHBondContact O-CA 3.34Å; T116-K135 PolarHBondContact N-O 3.13Å; T116-K135 PolarHBondContact O-N 2.76Å; T116-K135 PolarHBondContact OG1-O 3.47Å; T116-V137 HydrophobicContact CG2-CG2 3.51Å
117Y96.3Very high89.8Confident6 Ų659.8 Ų59.82%0.02431%0.305CS..EExtended strand (participates in β ladder)trans-152160.8-179.162.7-85.9000110.8F71 I87 P89 I96 V115 V119 A131F71-Y117 HydrophobicContact CB-CD2 4.29Å; F71-Y117 HydrophobicContact CB-CE1 4.06Å; F71-Y117 HydrophobicContact CB-CE2 3.72Å; F71-Y117 HydrophobicContact CD2-CE2 4.39Å; F71-Y117 HydrophobicContact CG-CE2 4.35Å; F71-Y117 PolarHBondContact N-O 2.77Å; F71-Y117 PolarHBondContact O-N 3.27Å; I87-Y117 HydrophobicContact CD1-CD1 4.47Å; I87-Y117 HydrophobicContact CG2-CD1 4.06Å; I87-Y117 HydrophobicContact CG2-CE1 3.78Å; P89-Y117 WeakPolarHBondContact CB-OH 3.29Å; I96-Y117 HydrophobicContact CD1-CD2 4.49Å; I96-Y117 HydrophobicContact CD1-CE2 3.42Å; I96-Y117 VanDerWaalsContact CD1-CE2 3.42Å; I96-Y117 VanDerWaalsContact CD1-OH 3.3Å; I96-Y117 WeakPolarHBondContact CD1-OH 3.33Å; V115-Y117 HydrophobicContact CG2-CD1 4.29Å; Y117-V119 HydrophobicContact CD2-CG2 4.06Å; Y117-V119 HydrophobicContact CE2-CG2 3.7Å; Y117-A131 HydrophobicContact CD2-CB 3.92Å; Y117-A131 HydrophobicContact CG-CB 4.1Å
118K95.5Very high89.5Confident41 Ų4158.9 Ų58.918%0.17830%0.303CS..EExtended strand (participates in β ladder)trans-107.5161.6166.2-62.3-173.2-171.6158.20109.8A65 T66 A70 A131 V132 E133A65-K118 WeakPolarHBondContact O-CD 3.03Å; T66-K118 PolarHBondContact O-NZ 2.6Å; A70-K118 HydrophobicContact CB-CG 4.47Å; K118-A131 CarbonylContact O-C 3.54Å; K118-A131 WeakPolarHBondContact O-CA 3.42Å; K118-V132 HydrophobicContact CB-CG2 3.82Å; K118-V132 PolarHBondContact N-O 2.75Å; K118-V132 PolarHBondContact O-N 2.95Å; K118-E133 WeakPolarHBondContact CD-OE2 3.17Å; K118-E133 VanDerWaalsContact CE-OE2 3.28Å; K118-E133 WeakPolarHBondContact CE-OE2 3.43Å; K118-E133 IonicContact NZ-OE2 3.93Å; K118-E133 PolarHBondContact NZ-OE2 3.36Å
119V93.3Very high89.3Confident43 Ų4361.4 Ų61.426%0.26132%0.315SS..EExtended strand (participates in β ladder)trans-108.3130.3-177.1177.20000110.3F71 I96 Y117 I129F71-V119 HydrophobicContact CD2-CG2 3.73Å; F71-V119 HydrophobicContact CE2-CB 4.33Å; F71-V119 HydrophobicContact CE2-CG2 3.86Å; I96-V119 HydrophobicContact CD1-CG2 4.47Å; Y117-V119 HydrophobicContact CD2-CG2 4.06Å; Y117-V119 HydrophobicContact CE2-CG2 3.7Å; V119-I129 HydrophobicContact CG1-CB 3.74Å; V119-I129 HydrophobicContact CG1-CG2 3.67Å
120S91.7Very high89.2Confident8 Ų861.1 Ų61.16%0.05631%0.313CS..EExtended strand (participates in β ladder)trans-121.6141.6168.8-161.30000110.4Q130S120-Q130 PolarHBondContact N-O 3.24Å; S120-Q130 PolarHBondContact O-N 3.05Å
121R88.9Confident89.2Confident172 Ų17259.6 Ų59.665%0.64930%0.304SS*.EExtended strand (participates in β ladder)trans-85.5137.9176.4-63.2-178.3-176.2170.7-1.7109.6P123 N126R121-P123 WeakPolarHBondContact O-CD 3.28Å; R121-N126 HydrophobicContact CB-CB 4.01Å
122I83.8Confident89.2Confident4 Ų453.4 Ų53.42%0.02128%0.276CS..  trans-83.8110.6179.7-62.7175.9000109.9P48 L51 P52 N126 K128 Q130P48-I122 HydrophobicContact CG-CG2 3.84Å; L51-I122 HydrophobicContact CD2-CD1 3.81Å; L51-I122 HydrophobicContact CD2-CG2 4.46Å; P52-I122 VanDerWaalsContact CD-CG2 3.42Å; P52-I122 HydrophobicContact CG-CB 4.33Å; P52-I122 HydrophobicContact CG-CG1 4.35Å; P52-I122 HydrophobicContact CG-CG2 3.69Å; I122-N126 WeakPolarHBondContact O-CA 3.39Å; I122-N126 PolarHBondContact O-N 3Å; I122-K128 HydrophobicContact CB-CB 4.44Å; I122-K128 WeakPolarHBondContact CB-O 3.31Å; I122-K128 HydrophobicContact CD1-CB 4Å; I122-K128 PolarHBondContact N-O 2.94Å; I122-Q130 HydrophobicContact CD1-CB 4.1Å; I122-Q130 HydrophobicContact CG1-CB 3.98Å
123P78.2Confident89.2Confident60 Ų6054.3 Ų54.339%0.3927%0.272SS..THydrogen-bonded Turntrans-65.9161.1171.628.3-34.6000111.2R121R121-P123 WeakPolarHBondContact O-CD 3.28Å
124P74.9Confident89.2Confident113 Ų11354.4 Ų54.473%0.73427%0.272SS*.THydrogen-bonded Turncis-84.7-24.82.530.8-33.7000114
125K75Confident89.2Confident168 Ų16855 Ų5573%0.7327%0.273SS*.THydrogen-bonded Turntrans-82.6-15.2-173.6-63-174.3177.7-178.80113.8L127K125-L127 HydrophobicContact CB-CD1 3.97Å; K125-L127 HydrophobicContact CB-CG 3.93Å; K125-L127 HydrophobicContact CD-CD1 4.26Å; K125-L127 PolarHBondContact O-N 3.29Å
126N80.3Confident89.1Confident73 Ų7356.5 Ų56.539%0.3928%0.281SS..  trans55.219.8179.5-59.8-47.3000114.9R121 I122R121-N126 HydrophobicContact CB-CB 4.01Å; I122-N126 WeakPolarHBondContact O-CA 3.39Å; I122-N126 PolarHBondContact O-N 3Å
127L78.9Confident89Confident145 Ų14558 Ų5876%0.75929%0.29SS*.  trans-80-28.6-177.7-65.8174.6000112.5K125K125-L127 HydrophobicContact CB-CD1 3.97Å; K125-L127 HydrophobicContact CB-CG 3.93Å; K125-L127 HydrophobicContact CD-CD1 4.26Å; K125-L127 PolarHBondContact O-N 3.29Å
128K84.3Confident88.8Confident55 Ų5562.9 Ų62.924%0.23931%0.313CS..SBendtrans-107.9138.1-175.5-81.8164.4158.8-168.70110.3S46 L47 I122S46-K128 PolarHBondContact O-NZ 3.34Å; L47-K128 VanDerWaalsContact CA-NZ 3.27Å; L47-K128 HydrophobicContact CD2-CB 4.33Å; L47-K128 HydrophobicContact CD2-CD 3.43Å; L47-K128 VanDerWaalsContact CD2-CD 3.43Å; L47-K128 HydrophobicContact CD2-CG 4.06Å; L47-K128 HydrophobicContact CG-CD 4.44Å; I122-K128 HydrophobicContact CB-CB 4.44Å; I122-K128 WeakPolarHBondContact CB-O 3.31Å; I122-K128 HydrophobicContact CD1-CB 4Å; I122-K128 PolarHBondContact N-O 2.94Å
129I90.1Very high88.7Confident64 Ų6463.2 Ų63.233%0.32832%0.316SS..EExtended strand (participates in β ladder)trans-100141.9177.753.8173.3000110I96 V119I96-I129 HydrophobicContact CD1-CD1 3.82Å; I96-I129 HydrophobicContact CG1-CD1 3.64Å; I96-I129 HydrophobicContact CG1-CG1 4.22Å; I96-I129 HydrophobicContact CG2-CD1 4.34Å; I96-I129 HydrophobicContact CG2-CG1 4.16Å; V119-I129 HydrophobicContact CG1-CB 3.74Å; V119-I129 HydrophobicContact CG1-CG2 3.67Å
130Q92.3Very high88.5Confident1 Ų163.4 Ų63.41%0.00532%0.316CS..EExtended strand (participates in β ladder)trans-121.4135.8175.7-178.9170.851.900108.8P52 F97 S120 I122 V132P52-Q130 PolarHBondContact O-NE2 3Å; P52-Q130 PolarHBondContact O-OE1 2.96Å; P52-Q130 VanDerWaalsContact O-OE1 3.05Å; F97-Q130 HydrophobicContact CD1-CG 4.11Å; F97-Q130 CarbonylContact O-C 3.53Å; F97-Q130 WeakPolarHBondContact O-CA 3.39Å; S120-Q130 PolarHBondContact N-O 3.24Å; S120-Q130 PolarHBondContact O-N 3.05Å; I122-Q130 HydrophobicContact CD1-CB 4.1Å; I122-Q130 HydrophobicContact CG1-CB 3.98Å; Q130-V132 HydrophobicContact CG-CG1 4.33Å
131A95.1Very high88.3Confident0 Ų067.2 Ų67.20%034%0.34CS..EExtended strand (participates in β ladder)trans-76.7130.7170.200000109.3I87 I96 F97 V98 Y117 K118 V134I87-A131 HydrophobicContact CD1-CB 3.73Å; I96-A131 HydrophobicContact CG2-CB 3.8Å; F97-A131 PolarHBondContact O-N 3.5Å; V98-A131 HydrophobicContact CB-CB 4.19Å; V98-A131 HydrophobicContact CG2-CB 4.46Å; Y117-A131 HydrophobicContact CD2-CB 3.92Å; Y117-A131 HydrophobicContact CG-CB 4.1Å; K118-A131 CarbonylContact O-C 3.54Å; K118-A131 WeakPolarHBondContact O-CA 3.42Å; A131-V134 HydrophobicContact CB-CG2 3.77Å
132V94.3Very high88.1Confident2 Ų262.7 Ų62.71%0.01235%0.347CS..EExtended strand (participates in β ladder)trans-130.8156.1-178.5-45.40000109.6A65 K118 Q130 V134A65-V132 HydrophobicContact CB-CG2 3.68Å; K118-V132 HydrophobicContact CB-CG2 3.82Å; K118-V132 PolarHBondContact N-O 2.75Å; K118-V132 PolarHBondContact O-N 2.95Å; Q130-V132 HydrophobicContact CG-CG1 4.33Å; V132-V134 PolarHBondContact O-N 3.22Å
133E94.3Very high88.3Confident49 Ų4964.5 Ų64.523%0.22936%0.358CS..EExtended strand (participates in β ladder)trans51.647.3-176.5-61.9177.1-162.100111.2T66 D102 K118 K135T66-E133 VanDerWaalsContact CB-OE1 3.31Å; T66-E133 WeakPolarHBondContact CB-OE1 3.08Å; T66-E133 WeakPolarHBondContact CG2-OE1 3.38Å; T66-E133 PolarHBondContact OG1-OE1 3.35Å; D102-E133 PolarHBondContact O-N 2.81Å; K118-E133 WeakPolarHBondContact CD-OE2 3.17Å; K118-E133 VanDerWaalsContact CE-OE2 3.28Å; K118-E133 WeakPolarHBondContact CE-OE2 3.43Å; K118-E133 IonicContact NZ-OE2 3.93Å; K118-E133 PolarHBondContact NZ-OE2 3.36Å; E133-K135 PolarHBondContact O-N 2.94Å
134V95.9Very high88.8Confident2 Ų269.1 Ų69.11%0.01237%0.372CS..EExtended strand (participates in β ladder)trans-78.7124.3-174.3-174.60000109.5I87 V98 D102 I103 E104 V115 T116 A131 V132I87-V134 HydrophobicContact CD1-CG1 3.84Å; I87-V134 HydrophobicContact CD1-CG2 4.13Å; V98-V134 HydrophobicContact CG2-CB 4.48Å; V98-V134 HydrophobicContact CG2-CG2 3.76Å; D102-V134 PolarHBondContact O-N 3.15Å; I103-V134 HydrophobicContact CG1-CB 4.16Å; I103-V134 HydrophobicContact CG1-CG1 4.47Å; E104-V134 PolarHBondContact N-O 3.01Å; V115-V134 HydrophobicContact CB-CG1 3.98Å; V115-V134 HydrophobicContact CG1-CG1 4.29Å; V115-V134 HydrophobicContact CG2-CG1 4.28Å; T116-V134 CarbonylContact O-C 3.58Å; T116-V134 WeakPolarHBondContact O-CA 3.34Å; A131-V134 HydrophobicContact CB-CG2 3.77Å; V132-V134 PolarHBondContact O-N 3.22Å
135K95.8Very high89.5Confident106 Ų10664.1 Ų64.146%0.46134%0.339SS..EExtended strand (participates in β ladder)trans-125.1128.3178.3-65.8177.1-179.5-176.80110.2E104 V115 T116 E133 V137E104-K135 HydrophobicContact CB-CG 4.12Å; E104-K135 WeakPolarHBondContact OE2-CE 3.18Å; E104-K135 IonicContact OE2-NZ 3.72Å; V115-K135 CarbonylContact C-O 3.43Å; V115-K135 VanDerWaalsContact CA-O 3.29Å; V115-K135 WeakPolarHBondContact CA-O 3.33Å; T116-K135 PolarHBondContact N-O 3.13Å; T116-K135 PolarHBondContact O-N 2.76Å; T116-K135 PolarHBondContact OG1-O 3.47Å; E133-K135 PolarHBondContact O-N 2.94Å; K135-V137 PolarHBondContact O-N 3.26Å
136I95.4Very high90.3Very high36 Ų3659.2 Ų59.219%0.18532%0.319CS..EExtended strand (participates in β ladder)trans-73.6124.7172.9-57.5159.9000108.4P109 D113 V115 L139P109-I136 HydrophobicContact CB-CD1 4.34Å; P109-I136 HydrophobicContact CG-CD1 4.09Å; D113-I136 HydrophobicContact CB-CG2 4.25Å; V115-I136 HydrophobicContact CG1-CB 4.46Å; V115-I136 HydrophobicContact CG1-CG1 3.93Å; I136-L139 HydrophobicContact CG2-CD2 3.77Å; I136-L139 HydrophobicContact CG2-CG 4.36Å
137V94.9Very high90.9Very high71 Ų7156 Ų5643%0.4330%0.302SS..EExtended strand (participates in β ladder)trans-100-46.2-179.2-177.70000110.5E114 T116 K135E114-V137 PolarHBondContact O-N 3.48Å; T116-V137 HydrophobicContact CG2-CG2 3.51Å; K135-V137 PolarHBondContact O-N 3.26Å
138H92.9Very high91.4Very high107 Ų10752.5 Ų52.550%0.49528%0.278SS..EExtended strand (participates in β ladder)trans-130.3123.3175.7-53.3114000109.1E114E114-H138 HydrophobicContact CB-CB 3.98Å; E114-H138 HydrophobicContact CG-CB 4.21Å; E114-H138 PolarHBondContact N-O 3.39Å; E114-H138 PolarHBondContact O-N 3.08Å; E114-H138 IonicContact OE2-CE1 3.09Å; E114-H138 IonicContact OE2-CG 3.77Å; E114-H138 IonicContact OE2-ND1 2.74Å; E114-H138 PolarHBondContact OE2-ND1 3.31Å
139L92.2Very high91.6Very high49 Ų4954.3 Ų54.326%0.25730%0.298SS..  trans-72.5138.7171.6-65.1169.4000108.7Y107 I136 P141Y107-L139 HydrophobicContact CD1-CD1 4.17Å; Y107-L139 HydrophobicContact CD1-CD2 4.15Å; Y107-L139 HydrophobicContact CD2-CD2 4.46Å; Y107-L139 HydrophobicContact CE1-CD1 3.88Å; Y107-L139 HydrophobicContact CE2-CD1 4.4Å; Y107-L139 HydrophobicContact CG-CD2 4.02Å; I136-L139 HydrophobicContact CG2-CD2 3.77Å; I136-L139 HydrophobicContact CG2-CG 4.36Å; L139-P141 VanDerWaalsContact O-CD 3.24Å; L139-P141 WeakPolarHBondContact O-CD 3.44Å; L139-P141 VanDerWaalsContact O-N 3.14Å
140N90.4Very high91.4Very high47 Ų4753 Ų5325%0.25130%0.301SS..  trans-63113.9178-1759.5000110E111 D113 G142 T143 H145E111-N140 PolarHBondContact O-ND2 3.07Å; D113-N140 WeakPolarHBondContact OD1-CB 3.2Å; D113-N140 PolarHBondContact OD1-N 2.89Å; N140-G142 PolarHBondContact O-N 3.05Å; N140-T143 PolarHBondContact ND2-OG1 3.16Å; N140-T143 PolarHBondContact O-N 3.49Å; N140-H145 PolarHBondContact O-NE2 2.99Å
141P86.6Confident91.2Very high88 Ų8859 Ų5957%0.57133%0.329SS*.THydrogen-bonded Turntrans-66.8133.6-177.827.7-34.2000110.2L139L139-P141 VanDerWaalsContact O-CD 3.24Å; L139-P141 WeakPolarHBondContact O-CD 3.44Å; L139-P141 VanDerWaalsContact O-N 3.14Å
142G84.1Confident90.8Very high76 Ų7664.8 Ų64.878%0.78436%0.358SS*.THydrogen-bonded Turntrans89.10.1-179.200000115N140N140-G142 PolarHBondContact O-N 3.05Å
143T87.7Confident90.2Very high42 Ų4267.7 Ų67.726%0.25837%0.373SS..SBendtrans-101.6145.2168.9-51.70000110.5V110 N140 H145V110-T143 HydrophobicContact CB-CG2 4.41Å; V110-T143 HydrophobicContact CG1-CG2 3.52Å; N140-T143 PolarHBondContact ND2-OG1 3.16Å; N140-T143 PolarHBondContact O-N 3.49Å; T143-H145 PolarHBondContact O-CD2 3.48Å; T143-H145 PolarHBondContact O-N 3.11Å
144K88.7Confident89.4Confident158 Ų15868.7 Ų68.769%0.68739%0.385SS*.PPolyproline II helixtrans-72.2125.1170.761.9-176.2-179.61790109.1I152K144-I152 HydrophobicContact CB-CG2 4.23Å
145H90.2Very high87.9Confident8 Ų875.3 Ų75.34%0.03742%0.416CS..EExtended strand (participates in β ladder)trans-100.7136177-71.4-74.8000109.3Y107 D113 N140 T143 I152 I153Y107-H145 HydrophobicContact CD1-CB 4.23Å; D113-H145 IonicContact OD1-CE1 2.61Å; D113-H145 PolarHBondContact OD1-CE1 2.85Å; D113-H145 IonicContact OD1-NE2 3.93Å; D113-H145 IonicContact OD2-CE1 3.99Å; D113-H145 IonicContact OD2-ND1 2.95Å; N140-H145 PolarHBondContact O-NE2 2.99Å; T143-H145 PolarHBondContact O-CD2 3.48Å; T143-H145 PolarHBondContact O-N 3.11Å; H145-I152 CarbonylContact O-C 3.51Å; H145-I152 WeakPolarHBondContact O-CA 3.26Å; H145-I153 PolarHBondContact N-O 3.3Å; H145-I153 PolarHBondContact O-N 3.43Å
146E92.3Very high86.1Confident65 Ų6577.5 Ų77.530%0.30443%0.432SS..EExtended strand (participates in β ladder)trans-108.2144.5173-160.4-167.9171.500108.7R80 V108 G150 Q151 I152R80-E146 IonicContact CZ-OE1 3.34Å; R80-E146 IonicContact NH1-OE1 3.59Å; R80-E146 PolarHBondContact NH1-OE1 3.33Å; R80-E146 IonicContact NH1-OE2 3.8Å; R80-E146 PolarHBondContact NH1-OE2 2.96Å; V108-E146 WeakPolarHBondContact CB-O 3.48Å; V108-E146 HydrophobicContact CG2-CB 4.27Å; V108-E146 WeakPolarHBondContact CG2-O 3.39Å; V108-E146 PolarHBondContact N-O 2.85Å; E146-G150 WeakPolarHBondContact OE1-CA 3.32Å; E146-Q151 CarbonylContact C-O 3.54Å; E146-Q151 WeakPolarHBondContact CA-O 3.48Å; E146-I152 HydrophobicContact CG-CG1 4.41Å
147T92.3Very high84Confident6 Ų683.1 Ų83.14%0.03746%0.462CS..BIsolated β-bridgetrans-90.6162.9168.465.20000111.5E106 Y107 S149 G150 Q151 I153E106-T147 CarbonylContact O-C 3.4Å; E106-T147 WeakPolarHBondContact O-CA 3.46Å; E106-T147 VanDerWaalsContact O-CB 3.23Å; E106-T147 WeakPolarHBondContact O-CB 3.4Å; Y107-T147 HydrophobicContact CD1-CG2 4.27Å; Y107-T147 HydrophobicContact CE1-CG2 4.39Å; T147-S149 PolarHBondContact O-N 3.24Å; T147-S149 PolarHBondContact OG1-N 3.06Å; T147-S149 PolarHBondContact OG1-OG 3.24Å; T147-G150 PolarHBondContact O-N 3.13Å; T147-G150 PolarHBondContact OG1-N 3.39Å; T147-Q151 HydrophobicContact CG2-CB 4.27Å; T147-Q151 PolarHBondContact N-O 3.38Å; T147-Q151 WeakPolarHBondContact OG1-CB 3.46Å; T147-Q151 PolarHBondContact OG1-N 3.26Å; T147-Q151 PolarHBondContact OG1-O 3.22Å; T147-I153 HydrophobicContact CG2-CD1 3.84Å
148W89.1Confident81.9Confident70 Ų7089.1 Ų89.127%0.26549%0.486SS..THydrogen-bonded Turntrans-60.7-24.4172.7-56.1113.8000112.8F78 R80 I100 I103 G105 E106 Y107 V108 G150F78-W148 AromaticContact CE1-CH2 3.68Å; F78-W148 HydrophobicContact CE1-CH2 3.68Å; F78-W148 HydrophobicContact CE1-CZ3 4.19Å; F78-W148 AromaticContact CZ-CH2 3.79Å; F78-W148 HydrophobicContact CZ-CH2 3.79Å; F78-W148 HydrophobicContact CZ-CZ3 4.46Å; R80-W148 HydrophobicContact CG-CZ3 4.38Å; R80-W148 PolarHBondContact NH2-O 2.83Å; I100-W148 HydrophobicContact CD1-CE3 4Å; I100-W148 HydrophobicContact CD1-CH2 3.78Å; I100-W148 HydrophobicContact CD1-CZ3 3.32Å; I100-W148 HydrophobicContact CG1-CH2 3.66Å; I100-W148 HydrophobicContact CG1-CZ2 4.35Å; I100-W148 HydrophobicContact CG1-CZ3 3.75Å; I103-W148 HydrophobicContact CB-CZ2 4.42Å; I103-W148 HydrophobicContact CG2-CZ2 3.96Å; G105-W148 PolarHBondContact O-NE1 3.19Å; G105-W148 VanDerWaalsContact O-NE1 3.12Å; E106-W148 VanDerWaalsContact C-CD1 3.46Å; E106-W148 PolarHBondContact O-N 3.38Å; Y107-W148 PolarHBondContact O-NE1 2.89Å; V108-W148 HydrophobicContact CB-CH2 4.29Å; V108-W148 HydrophobicContact CB-CZ3 4.3Å; V108-W148 HydrophobicContact CG1-CH2 4.08Å; V108-W148 HydrophobicContact CG1-CZ3 4.1Å; V108-W148 HydrophobicContact CG2-CD2 3.97Å; V108-W148 HydrophobicContact CG2-CE3 3.63Å; V108-W148 HydrophobicContact CG2-CH2 4.15Å; V108-W148 HydrophobicContact CG2-CZ2 4.47Å; V108-W148 HydrophobicContact CG2-CZ3 3.72Å; W148-G150 VanDerWaalsContact C-N 3.31Å
149S88.4Confident79.7Confident93 Ų9393.3 Ų93.365%0.6553%0.527SS*.THydrogen-bonded Turntrans-78.6-917458.90000114T147 Q151T147-S149 PolarHBondContact O-N 3.24Å; T147-S149 PolarHBondContact OG1-N 3.06Å; T147-S149 PolarHBondContact OG1-OG 3.24Å; S149-Q151 PolarHBondContact OG-OE1 3.49Å
150G86.9Confident79.1Confident37 Ų3795.5 Ų95.538%0.38154%0.541SS..SBendtrans90.513.1179.700000115.1E146 T147 W148E146-G150 WeakPolarHBondContact OE1-CA 3.32Å; T147-G150 PolarHBondContact O-N 3.13Å; T147-G150 PolarHBondContact OG1-N 3.39Å; W148-G150 VanDerWaalsContact C-N 3.31Å
151Q87.4Confident78.5Confident128 Ų12898.1 Ų98.160%0.59856%0.556SS**  trans-80.1131.7172.6-66.3173.5-70.300109.6E146 T147 S149E146-Q151 CarbonylContact C-O 3.54Å; E146-Q151 WeakPolarHBondContact CA-O 3.48Å; T147-Q151 HydrophobicContact CG2-CB 4.27Å; T147-Q151 PolarHBondContact N-O 3.38Å; T147-Q151 WeakPolarHBondContact OG1-CB 3.46Å; T147-Q151 PolarHBondContact OG1-N 3.26Å; T147-Q151 PolarHBondContact OG1-O 3.22Å; S149-Q151 PolarHBondContact OG-OE1 3.49Å
152I86.8Confident78.1Confident120 Ų12098.6 Ų98.662%0.61556%0.555SS**EExtended strand (participates in β ladder)trans-98.1122.1175.8-56.8174.2000108K144 H145 E146K144-I152 HydrophobicContact CB-CG2 4.23Å; H145-I152 CarbonylContact O-C 3.51Å; H145-I152 WeakPolarHBondContact O-CA 3.26Å; E146-I152 HydrophobicContact CG-CG1 4.41Å
153I82.3Confident77.7Confident64 Ų6499.9 Ų99.933%0.32854%0.541SS..EExtended strand (participates in β ladder)trans-111.9116.9179.6-62.4163.9000107.4Y107 H145 T147Y107-I153 HydrophobicContact CD1-CD1 4.35Å; Y107-I153 HydrophobicContact CE1-CD1 3.42Å; Y107-I153 VanDerWaalsContact CE1-CD1 3.42Å; H145-I153 PolarHBondContact N-O 3.3Å; H145-I153 PolarHBondContact O-N 3.43Å; T147-I153 HydrophobicContact CG2-CD1 3.84Å
154S77.1Confident77.1Confident69 Ų69103.6 Ų103.648%0.48356%0.559SS.*  trans-109.7131.7170.4500000108.7L156S154-L156 PolarHBondContact O-N 3.32Å
155Q63.9Low76.3Confident142 Ų14299.9 Ų99.966%0.66455%0.551SS**THydrogen-bonded Turntrans-71.235.2179.2-155.6179.3-77.100113.4
156L57.9Low75.3Confident152 Ų152106.5 Ų106.580%0.79659%0.587SS**THydrogen-bonded Turntrans-106.47.1-175.7-91.4165.2000113.7S154S154-L156 PolarHBondContact O-N 3.32Å
157D51.3Low74Confident153 Ų153109.7 Ų109.782%0.81861%0.609SS**SBendtrans-122.636.5-173-143.7-109.5000113.9
158E52.1Low72.5Confident197 Ų197118.3 Ų118.392%0.92166%0.657SS**  trans-138.697.5162.2-116.2179.887.500108.7
159S47.2Very low71Confident195 Ų195122.7 Ų122.7100%1.36469%0.693SS**  trans-130.30168.3-71.10000109

Retrieved 159 of 159 residues in 102.3 ms (Link to these results)