A0A077Z3G9_TRITR Loading...

DNA directed RNA polymerases I and III subunit

AlphaFold DB , UniProt , Accession A0A077Z3G9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 299 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
1M47.6Very low53Low164 Ų164143.5 Ų143.581%0.80867%0.669SS**  0121.50-81.7-169.8-7200109.7E5M1-E5 WeakPolarHBondContact CA-OE2 3.48Å
2S57.4Low51.3Low53 Ų53138.8 Ų138.837%0.37166%0.658SS.*  trans-76.4163.6177.181.30000111.2E4 E5 R6S2-E4 PolarHBondContact O-N 3.46Å; S2-E4 PolarHBondContact OG-N 3.01Å; S2-E5 PolarHBondContact N-OE2 3.17Å; S2-E5 PolarHBondContact O-N 2.91Å; S2-E5 PolarHBondContact OG-N 3.34Å; S2-R6 PolarHBondContact O-N 2.96Å
3K66.5Low50.1Low195 Ų195144.8 Ų144.885%0.84867%0.672SS**Hα-helixtrans-58.2-30.4176.8-111.8-179.5176.4-179.40112.3A7K3-A7 PolarHBondContact O-N 3.37Å
4E67.4Low49.1Very low155 Ų155146.9 Ų146.972%0.72468%0.678SS**Hα-helixtrans-72.5-41.2-179-65.2160.6170.600111.3S2 R6 A7 W8S2-E4 PolarHBondContact O-N 3.46Å; S2-E4 PolarHBondContact OG-N 3.01Å; E4-R6 VanDerWaalsContact C-N 3.3Å; E4-R6 PolarHBondContact O-N 2.81Å; E4-A7 PolarHBondContact O-N 3.26Å; E4-A7 VanDerWaalsContact O-N 3.12Å; E4-W8 PolarHBondContact O-N 3.29Å; E4-W8 VanDerWaalsContact O-N 3.11Å
5E58.9Low48.5Very low103 Ų103143 Ų14348%0.48168%0.682SS.*Hα-helixtrans-63.4-35.5175.6-68.1174.314000112.1M1 S2 Q9M1-E5 WeakPolarHBondContact CA-OE2 3.48Å; S2-E5 PolarHBondContact N-OE2 3.17Å; S2-E5 PolarHBondContact O-N 2.91Å; S2-E5 PolarHBondContact OG-N 3.34Å; E5-Q9 PolarHBondContact O-N 3.26Å
6R56.2Low47.6Very low170 Ų170144.2 Ų144.264%0.64269%0.686SS**Hα-helixtrans-69.9-29.6174.3-81-177.2172.6172.1-1.5113.4S2 E4S2-R6 PolarHBondContact O-N 2.96Å; E4-R6 VanDerWaalsContact C-N 3.3Å; E4-R6 PolarHBondContact O-N 2.81Å
7A58Low47.1Very low61 Ų61147.3 Ų147.350%0.50469%0.692SS.*Hα-helixtrans-73.5-39.1176.400000111.2K3 E4 Q9 R10 T11K3-A7 PolarHBondContact O-N 3.37Å; E4-A7 PolarHBondContact O-N 3.26Å; E4-A7 VanDerWaalsContact O-N 3.12Å; A7-Q9 PolarHBondContact O-N 3.13Å; A7-R10 PolarHBondContact O-N 2.99Å; A7-T11 PolarHBondContact O-OG1 3.49Å
8W45.5Very low46.5Very low200 Ų200145.7 Ų145.776%0.75869%0.693SS**Hα-helixtrans-65.3-37.1-179.2-155.9-73.4000113.2E4 R10 T11 T12E4-W8 PolarHBondContact O-N 3.29Å; E4-W8 VanDerWaalsContact O-N 3.11Å; W8-R10 PolarHBondContact O-N 3.4Å; W8-T11 PolarHBondContact O-N 3.41Å; W8-T12 PolarHBondContact O-OG1 3.46Å
9Q44.5Very low45.7Very low145 Ų145147.3 Ų147.368%0.67870%0.7SS**Hα-helixtrans-66.1-19.8179.2-75.5-170.6-11.300114.2E5 A7E5-Q9 PolarHBondContact O-N 3.26Å; A7-Q9 PolarHBondContact O-N 3.13Å
10R42.8Very low45.4Very low211 Ų211144.8 Ų144.880%0.79669%0.694SS**Hα-helixtrans-83.9-20179.9-80.8-175.6170.7173.6-3.2114.2A7 W8A7-R10 PolarHBondContact O-N 2.99Å; W8-R10 PolarHBondContact O-N 3.4Å
11T37.9Very low45.1Very low122 Ų122143.8 Ų143.875%0.74870%0.7SS**Hα-helixtrans-106.6-9.4-170.8-16.60000114A7 W8 Y13A7-T11 PolarHBondContact O-OG1 3.49Å; W8-T11 PolarHBondContact O-N 3.41Å; T11-Y13 PolarHBondContact O-N 3.29Å
12T32.6Very low44.9Very low87 Ų87144.5 Ų144.553%0.53469%0.694SS.*  trans-101.571.9171.819.60000109.7W8 K14W8-T12 PolarHBondContact O-OG1 3.46Å; T12-K14 PolarHBondContact O-N 2.73Å
13Y36.5Very low44.4Very low217 Ų217148 Ų14885%0.85171%0.709SS**  trans-63.692147.5-74.2-87000105.5T11 A15T11-Y13 PolarHBondContact O-N 3.29Å; Y13-A15 VanDerWaalsContact C-N 3.35Å; Y13-A15 PolarHBondContact O-N 3.18Å
14K35.8Very low43.5Very low174 Ų174145.8 Ų145.876%0.75770%0.695SS**  trans-55111.3158-84.6-178.5172.1-178.40104.3T12 E16T12-K14 PolarHBondContact O-N 2.73Å; K14-E16 PolarHBondContact O-N 2.93Å
15A39.6Very low42.6Very low88 Ų88145 Ų14573%0.72769%0.692SS**  trans-63.581.6164.600000106Y13 Y17Y13-A15 VanDerWaalsContact C-N 3.35Å; Y13-A15 PolarHBondContact O-N 3.18Å; A15-Y17 PolarHBondContact O-N 3.42Å
16E35.2Very low41.9Very low162 Ų162144.7 Ų144.776%0.75769%0.693SS**  trans-61.297.7159.8-73-178.2172.700104K14 V18K14-E16 PolarHBondContact O-N 2.93Å; E16-V18 PolarHBondContact O-N 2.85Å
17Y37.7Very low41.6Very low197 Ų197140.1 Ų140.177%0.77369%0.691SS**  trans-53.6100.5163-106.1-96.2000105.3A15 E19A15-Y17 PolarHBondContact O-N 3.42Å; Y17-E19 VanDerWaalsContact C-N 3.32Å; Y17-E19 PolarHBondContact O-N 3.26Å
18V37.1Very low41.1Very low119 Ų119144.1 Ų144.172%0.72170%0.7SS**  trans-65.5106.3160.7179.50000103.4E16 V20E16-V18 PolarHBondContact O-N 2.85Å; V18-V20 VanDerWaalsContact C-N 3.28Å; V18-V20 PolarHBondContact O-N 3.14Å
19E30.6Very low41.2Very low176 Ų176138.7 Ų138.782%0.82270%0.697SS**  trans-52.5100.3168.2-78.2-177.9165.200106.9Y17 P21Y17-E19 VanDerWaalsContact C-N 3.32Å; Y17-E19 PolarHBondContact O-N 3.26Å; E19-P21 VanDerWaalsContact O-CD 3.3Å; E19-P21 WeakPolarHBondContact O-CD 3.28Å
20V40.4Very low41.5Very low97 Ų97135.5 Ų135.559%0.58870%0.696SS**  trans-67.6119.7170-1050000105.2V18 Y22V18-V20 VanDerWaalsContact C-N 3.28Å; V18-V20 PolarHBondContact O-N 3.14Å; V20-Y22 PolarHBondContact O-N 2.86Å
21P39.3Very low41.9Very low124 Ų124133.3 Ų133.381%0.80569%0.692SS**SBendtrans-65.43.5-173.5-21.632.9000115E19E19-P21 VanDerWaalsContact O-CD 3.3Å; E19-P21 WeakPolarHBondContact O-CD 3.28Å
22Y44.2Very low42.9Very low178 Ų178130 Ų13070%0.69868%0.682SS**SBendtrans-118.9113.5179.2-73.4-85.3000108.6V20 W24V20-Y22 PolarHBondContact O-N 2.86Å; Y22-W24 VanDerWaalsContact C-N 3.26Å; Y22-W24 VanDerWaalsContact O-CD1 3.25Å; Y22-W24 PolarHBondContact O-N 2.86Å
23D45.6Very low44.6Very low126 Ų126135.3 Ų135.367%0.67470%0.701SS**  trans-71.678.6-176.7-142-12.6000110.1H25D23-H25 PolarHBondContact O-N 2.77Å
24W47.9Very low46.2Very low149 Ų149133 Ų13356%0.56469%0.691SS**THydrogen-bonded Turntrans-74.70.2169.2-6798.6000111.9Y22 H63Y22-W24 VanDerWaalsContact C-N 3.26Å; Y22-W24 VanDerWaalsContact O-CD1 3.25Å; Y22-W24 PolarHBondContact O-N 2.86Å; W24-H63 AromaticContact CH2-CD2 3.99Å
25H47.8Very low48.3Very low140 Ų140128.5 Ų128.565%0.64868%0.675SS**THydrogen-bonded Turntrans-96.29.7-176.9-72-60000114.5D23 A27D23-H25 PolarHBondContact O-N 2.77Å; H25-A27 PolarHBondContact O-N 2.82Å
26D45.5Very low50.3Low96 Ų96127.4 Ų127.451%0.51366%0.659SS.*  trans-65.283.7160.1-91.9-21.7000109.2E28 A29D26-E28 PolarHBondContact O-N 2.79Å; D26-A29 HydrophobicContact CB-CB 4.17Å; D26-A29 WeakPolarHBondContact O-CB 3.49Å; D26-A29 PolarHBondContact O-N 3.28Å
27A48.3Very low52.7Low73 Ų73125.8 Ų125.860%0.60365%0.652SS**THydrogen-bonded Turntrans-56.3-17.3171.800000111.8H25H25-A27 PolarHBondContact O-N 2.82Å
28E47.8Very low54.8Low146 Ų146123 Ų12368%0.68264%0.643SS**THydrogen-bonded Turntrans-75.8-31.1172.9-69.3-173.3147.400113.4D26 A30 K31D26-E28 PolarHBondContact O-N 2.79Å; E28-A30 VanDerWaalsContact C-N 3.29Å; E28-K31 PolarHBondContact O-N 3.05Å
29A48.8Very low56.9Low85 Ų85119 Ų11970%0.70262%0.616SS**G310 helixtrans-72.6-24172.400000112.4D26 K31D26-A29 HydrophobicContact CB-CB 4.17Å; D26-A29 WeakPolarHBondContact O-CB 3.49Å; D26-A29 PolarHBondContact O-N 3.28Å; A29-K31 VanDerWaalsContact C-N 3.27Å; A29-K31 PolarHBondContact O-N 2.82Å
30A50.9Low59.4Low79 Ų79115 Ų11565%0.65360%0.598SS**G310 helixtrans-79.2-0.817700000114.4E28 G32E28-A30 VanDerWaalsContact C-N 3.29Å; A30-G32 PolarHBondContact O-N 3.46Å
31K50.9Low61.7Low164 Ų164117.8 Ų117.871%0.71361%0.605SS**G310 helixtrans-77.32.4179.8-71.7-179.7-178.7167.50114.4E28 A29E28-K31 PolarHBondContact O-N 3.05Å; A29-K31 VanDerWaalsContact C-N 3.27Å; A29-K31 PolarHBondContact O-N 2.82Å
32G58.9Low63.9Low52 Ų52116.4 Ų116.454%0.53659%0.59SS.*SBendtrans-98.2148.8172.300000112.4A30 W34A30-G32 PolarHBondContact O-N 3.46Å; G32-W34 PolarHBondContact O-N 2.81Å
33E67.4Low66.1Low199 Ų199109.6 Ų109.693%0.9357%0.567SS**  trans-58.4123.8167.4-152.1167.4-161.900108.1D35E33-D35 PolarHBondContact O-N 3.2Å; E33-D35 VanDerWaalsContact O-N 3.12Å
34W69.4Low68.1Low170 Ų170106.3 Ų106.364%0.64455%0.554SS**  trans-70.9110-177.5179.378.1000109.3G32 V36 Y39G32-W34 PolarHBondContact O-N 2.81Å; W34-V36 HydrophobicContact CE3-CG2 3.83Å; W34-V36 HydrophobicContact CH2-CB 4.28Å; W34-V36 HydrophobicContact CH2-CG1 4.44Å; W34-V36 HydrophobicContact CH2-CG2 3.49Å; W34-V36 VanDerWaalsContact CH2-CG2 3.49Å; W34-V36 HydrophobicContact CZ2-CG2 4.36Å; W34-V36 HydrophobicContact CZ3-CB 4.33Å; W34-V36 HydrophobicContact CZ3-CG2 3.17Å; W34-Y39 HydrophobicContact CZ2-CD1 4.17Å
35D80.6Confident70.3Confident79 Ų79103.8 Ų103.842%0.42256%0.555SS.*  trans-96.3114179.5-178-40.7000109.1E33 E37 K38 Y39E33-D35 PolarHBondContact O-N 3.2Å; E33-D35 VanDerWaalsContact O-N 3.12Å; D35-E37 VanDerWaalsContact C-N 3.33Å; D35-E37 WeakPolarHBondContact OD1-CA 3.38Å; D35-E37 WeakPolarHBondContact OD1-CB 3.3Å; D35-E37 PolarHBondContact OD1-N 2.85Å; D35-K38 HydrophobicContact CB-CB 3.97Å; D35-K38 PolarHBondContact OD1-N 2.82Å; D35-Y39 WeakPolarHBondContact O-CB 3.46Å; D35-Y39 PolarHBondContact O-N 2.99Å
36V80.9Confident72.4Confident64 Ų64103.6 Ų103.639%0.38855%0.552SS.*Hα-helixtrans-62-44.4-178.3179.20000110.1W34 Y39 M40W34-V36 HydrophobicContact CE3-CG2 3.83Å; W34-V36 HydrophobicContact CH2-CB 4.28Å; W34-V36 HydrophobicContact CH2-CG1 4.44Å; W34-V36 HydrophobicContact CH2-CG2 3.49Å; W34-V36 VanDerWaalsContact CH2-CG2 3.49Å; W34-V36 HydrophobicContact CZ2-CG2 4.36Å; W34-V36 HydrophobicContact CZ3-CB 4.33Å; W34-V36 HydrophobicContact CZ3-CG2 3.17Å; V36-Y39 PolarHBondContact O-N 2.9Å; V36-M40 HydrophobicContact CG1-CG 4.2Å; V36-M40 WeakPolarHBondContact O-CB 3.22Å; V36-M40 VanDerWaalsContact O-CG 3.26Å; V36-M40 WeakPolarHBondContact O-CG 3.3Å; V36-M40 PolarHBondContact O-N 3.1Å
37E86.2Confident74.7Confident129 Ų129103.5 Ų103.560%0.60355%0.551SS**Hα-helixtrans-63.3-45.8-176.9-68.773.4-167.500110.8D35 M40 Q41D35-E37 VanDerWaalsContact C-N 3.33Å; D35-E37 WeakPolarHBondContact OD1-CA 3.38Å; D35-E37 WeakPolarHBondContact OD1-CB 3.3Å; D35-E37 PolarHBondContact OD1-N 2.85Å; E37-M40 PolarHBondContact O-N 2.79Å; E37-Q41 VanDerWaalsContact O-CG 3.28Å; E37-Q41 WeakPolarHBondContact O-CG 3.38Å; E37-Q41 PolarHBondContact O-N 3.42Å
38K81.9Confident76.7Confident137 Ų137103.5 Ų103.560%0.59654%0.54SS*.Hα-helixtrans-64.1-40.2175.8-171.6-178.3-179.5-177.10111.9D35 Q41D35-K38 HydrophobicContact CB-CB 3.97Å; D35-K38 PolarHBondContact OD1-N 2.82Å; K38-Q41 PolarHBondContact O-N 3.02Å
39Y82Confident78.8Confident37 Ų37102.8 Ų102.815%0.14554%0.537CS..Hα-helixtrans-63.3-47.3176.4177.7-111.1000111.4W34 D35 V36 Q41 N42 V43 N61 L62 H63 F66W34-Y39 HydrophobicContact CZ2-CD1 4.17Å; D35-Y39 WeakPolarHBondContact O-CB 3.46Å; D35-Y39 PolarHBondContact O-N 2.99Å; V36-Y39 PolarHBondContact O-N 2.9Å; Y39-Q41 VanDerWaalsContact C-N 3.33Å; Y39-Q41 PolarHBondContact O-N 2.92Å; Y39-N42 PolarHBondContact O-N 2.84Å; Y39-N42 VanDerWaalsContact O-N 3.13Å; Y39-V43 HydrophobicContact CE1-CG2 4.23Å; Y39-V43 PolarHBondContact O-N 3.09Å; Y39-N61 WeakPolarHBondContact CE2-O 3.36Å; Y39-N61 PolarHBondContact OH-O 2.81Å; Y39-L62 WeakPolarHBondContact OH-CA 3.44Å; Y39-H63 PolarHBondContact OH-N 3.38Å; Y39-F66 HydrophobicContact CE1-CD2 4.41Å; Y39-F66 AromaticContact CE1-CE2 3.97Å; Y39-F66 HydrophobicContact CE1-CE2 3.97Å
40M83.5Confident80.9Confident91 Ų91105.5 Ų105.545%0.44854%0.536SS..Hα-helixtrans-63.4-33.9178.2-73-69.399.700113.3V36 E37 N42 V43V36-M40 HydrophobicContact CG1-CG 4.2Å; V36-M40 WeakPolarHBondContact O-CB 3.22Å; V36-M40 VanDerWaalsContact O-CG 3.26Å; V36-M40 WeakPolarHBondContact O-CG 3.3Å; V36-M40 PolarHBondContact O-N 3.1Å; E37-M40 PolarHBondContact O-N 2.79Å; M40-N42 PolarHBondContact O-N 2.97Å; M40-V43 HydrophobicContact CE-CG2 3.83Å; M40-V43 PolarHBondContact O-N 3.12Å
41Q87Confident82.9Confident156 Ų156104.4 Ų104.473%0.72952%0.524SS*.Hα-helixtrans-60.9-28174.5-76.7171.314.600113.3E37 K38 Y39E37-Q41 VanDerWaalsContact O-CG 3.28Å; E37-Q41 WeakPolarHBondContact O-CG 3.38Å; E37-Q41 PolarHBondContact O-N 3.42Å; K38-Q41 PolarHBondContact O-N 3.02Å; Y39-Q41 VanDerWaalsContact C-N 3.33Å; Y39-Q41 PolarHBondContact O-N 2.92Å
42N86.7Confident84.8Confident94 Ų94104 Ų10450%0.50353%0.53SS..Hα-helixtrans-86.8-17.5179.2-66.9-27.3000113Y39 M40 S44 N61Y39-N42 PolarHBondContact O-N 2.84Å; Y39-N42 VanDerWaalsContact O-N 3.13Å; M40-N42 PolarHBondContact O-N 2.97Å; N42-S44 PolarHBondContact O-N 3.06Å; N42-N61 HydrophobicContact CB-CB 4.45Å; N42-N61 WeakPolarHBondContact O-CB 3.12Å; N42-N61 PolarHBondContact O-ND2 2.89Å
43V89.6Confident86.4Confident35 Ų35111.2 Ų111.221%0.21254%0.542CS..  trans-74.7122.8178.3177.70000109.1Y39 M40 V59 C60 L62Y39-V43 HydrophobicContact CE1-CG2 4.23Å; Y39-V43 PolarHBondContact O-N 3.09Å; M40-V43 HydrophobicContact CE-CG2 3.83Å; M40-V43 PolarHBondContact O-N 3.12Å; V43-V59 HydrophobicContact CG1-CG1 4.19Å; V43-C60 WeakPolarHBondContact CA-O 3.43Å; V43-L62 HydrophobicContact CG1-CB 4.4Å; V43-L62 HydrophobicContact CG1-CD1 4.38Å; V43-L62 HydrophobicContact CG2-CD1 4.32Å
44S88.9Confident87.7Confident58 Ų58105.2 Ų105.241%0.40652%0.522SS..EExtended strand (participates in β ladder)trans-127137.9177.867.30000110.8N42 C60N42-S44 PolarHBondContact O-N 3.06Å; S44-C60 PolarHBondContact N-O 3.4Å; S44-C60 PolarHBondContact O-N 2.87Å; S44-C60 WeakPolarHBondContact OG-CB 3.26Å
45V93.1Very high88.9Confident95 Ų95101.3 Ų101.358%0.57651%0.513SS*.EExtended strand (participates in β ladder)trans-111.6129175.7-177.30000109F57 D58 V59V45-F57 HydrophobicContact CG1-CB 4.35Å; V45-F57 HydrophobicContact CG1-CD2 3.9Å; V45-F57 HydrophobicContact CG1-CG 4.46Å; V45-D58 CarbonylContact C-O 3.6Å; V45-D58 VanDerWaalsContact CA-O 3.3Å; V45-D58 WeakPolarHBondContact CA-O 3.38Å; V45-V59 HydrophobicContact CG2-CG1 4.24Å; V45-V59 HydrophobicContact CG2-CG2 4.29Å
46K91.2Very high89.6Confident136 Ų136102.9 Ų102.959%0.59152%0.518SS*.EExtended strand (participates in β ladder)trans-123118.9176.6-178.1-172.7175.6-168.10109.5F57 D58K46-F57 CarbonylContact O-C 3.55Å; K46-F57 WeakPolarHBondContact O-CA 3.46Å; K46-D58 HydrophobicContact CB-CB 4.35Å; K46-D58 PolarHBondContact N-O 2.81Å; K46-D58 PolarHBondContact O-N 2.75Å
47I93.6Very high90.3Very high94 Ų94103.7 Ų103.748%0.48252%0.516SS..EExtended strand (participates in β ladder)trans-78.9127.6174.3-58.6172.6000108.3M50 I55 F57I47-M50 HydrophobicContact CG2-CB 4.02Å; I47-I55 HydrophobicContact CD1-CD1 4.45Å; I47-I55 HydrophobicContact CG2-CG1 4.37Å; I47-F57 HydrophobicContact CG1-CB 4.3Å
48I92.2Very high90.7Very high74 Ų74101 Ų10138%0.37951%0.506SS..EExtended strand (participates in β ladder)trans-90.4-53.4177.5-62.6162.9000108.8E56 D58I48-E56 HydrophobicContact CB-CB 4.37Å; I48-E56 HydrophobicContact CB-CG 4.26Å; I48-E56 HydrophobicContact CD1-CG 3.98Å; I48-E56 PolarHBondContact N-O 3.37Å; I48-D58 WeakPolarHBondContact CD1-OD1 3.43Å
49E91.7Very high91.2Very high131 Ų13197.1 Ų97.161%0.61249%0.493SS*.EExtended strand (participates in β ladder)trans-141.8144.3178.3-74.2-173.9-173.900110.7I55 E56E49-I55 WeakPolarHBondContact O-CA 3.42Å; E49-E56 PolarHBondContact N-O 2.95Å; E49-E56 PolarHBondContact O-N 2.73Å
50M92.8Very high91.6Very high141 Ų14197.9 Ų97.970%0.69550%0.504SS*.EExtended strand (participates in β ladder)trans-142123.6177.2-172.4175.6-176.300110.4I47 I55I47-M50 HydrophobicContact CG2-CB 4.02Å; M50-I55 HydrophobicContact CB-CG1 4.39Å; M50-I55 HydrophobicContact CE-CD1 4.48Å; M50-I55 HydrophobicContact CG-CD1 4.33Å; M50-I55 HydrophobicContact CG-CG1 4.24Å; M50-I55 HydrophobicContact SD-CD1 4.27Å
51S93.4Very high91.9Very high57 Ų5798.6 Ų98.640%0.39951%0.509SS..  trans-120.4-175.4171.1850000110.2Y53 S54S51-Y53 PolarHBondContact O-N 2.9Å; S51-Y53 PolarHBondContact OG-N 2.87Å; S51-Y53 VanDerWaalsContact OG-N 3.16Å; S51-S54 PolarHBondContact N-O 3.03Å; S51-S54 PolarHBondContact OG-N 2.8Å; S51-S54 PolarHBondContact OG-O 3.4Å; S51-S54 PolarHBondContact OG-OG 2.84Å
52N90.6Very high91.9Very high156 Ų15693.3 Ų93.383%0.83449%0.486SS*.SBendtrans-70-19.7174.7-67.4-33.4000113.6
53Y92.1Very high91.9Very high203 Ų20392 Ų9280%0.79648%0.477SS*.SBendtrans-128.9-7.2-172.5-59.1-70.2000113.9S51S51-Y53 PolarHBondContact O-N 2.9Å; S51-Y53 PolarHBondContact OG-N 2.87Å; S51-Y53 VanDerWaalsContact OG-N 3.16Å
54S93.4Very high91.8Very high72 Ų7294 Ų9450%0.50349%0.491SS..  trans-140.1143.4-179.663.20000110.1S51S51-S54 PolarHBondContact N-O 3.03Å; S51-S54 PolarHBondContact OG-N 2.8Å; S51-S54 PolarHBondContact OG-O 3.4Å; S51-S54 PolarHBondContact OG-OG 2.84Å
55I95.7Very high91.8Very high88 Ų8894.4 Ų94.445%0.45149%0.493SS..EExtended strand (participates in β ladder)trans-138.4132.8169.9-169.8174000107.8I47 E49 M50 F57I47-I55 HydrophobicContact CD1-CD1 4.45Å; I47-I55 HydrophobicContact CG2-CG1 4.37Å; E49-I55 WeakPolarHBondContact O-CA 3.42Å; M50-I55 HydrophobicContact CB-CG1 4.39Å; M50-I55 HydrophobicContact CE-CD1 4.48Å; M50-I55 HydrophobicContact CG-CD1 4.33Å; M50-I55 HydrophobicContact CG-CG1 4.24Å; M50-I55 HydrophobicContact SD-CD1 4.27Å; I55-F57 HydrophobicContact CD1-CD1 4.27Å; I55-F57 HydrophobicContact CG1-CD1 4.1Å; I55-F57 HydrophobicContact CG2-CD1 4.17Å; I55-F57 HydrophobicContact CG2-CE1 4.21Å
56E95.3Very high91.6Very high112 Ų11294.3 Ų94.352%0.52349%0.485SS..EExtended strand (participates in β ladder)trans-118.4124.2172.1-170.7175.1153.500107.7I48 E49I48-E56 HydrophobicContact CB-CB 4.37Å; I48-E56 HydrophobicContact CB-CG 4.26Å; I48-E56 HydrophobicContact CD1-CG 3.98Å; I48-E56 PolarHBondContact N-O 3.37Å; E49-E56 PolarHBondContact N-O 2.95Å; E49-E56 PolarHBondContact O-N 2.73Å
57F95.4Very high91.6Very high82 Ų8290.2 Ų90.236%0.3648%0.476SS..EExtended strand (participates in β ladder)trans-146.1140.1-177.763.6-85.8000111.3V45 K46 I47 I55 V59V45-F57 HydrophobicContact CG1-CB 4.35Å; V45-F57 HydrophobicContact CG1-CD2 3.9Å; V45-F57 HydrophobicContact CG1-CG 4.46Å; K46-F57 CarbonylContact O-C 3.55Å; K46-F57 WeakPolarHBondContact O-CA 3.46Å; I47-F57 HydrophobicContact CG1-CB 4.3Å; I55-F57 HydrophobicContact CD1-CD1 4.27Å; I55-F57 HydrophobicContact CG1-CD1 4.1Å; I55-F57 HydrophobicContact CG2-CD1 4.17Å; I55-F57 HydrophobicContact CG2-CE1 4.21Å; F57-V59 HydrophobicContact CD2-CG2 3.58Å; F57-V59 HydrophobicContact CE2-CG2 3.47Å; F57-V59 VanDerWaalsContact CE2-CG2 3.47Å
58D93.8Very high91.5Very high73 Ų7389.8 Ų89.839%0.3948%0.475SS..EExtended strand (participates in β ladder)trans-86.1137170.3-65.4-36.8000109.8V45 K46 I48V45-D58 CarbonylContact C-O 3.6Å; V45-D58 VanDerWaalsContact CA-O 3.3Å; V45-D58 WeakPolarHBondContact CA-O 3.38Å; K46-D58 HydrophobicContact CB-CB 4.35Å; K46-D58 PolarHBondContact N-O 2.81Å; K46-D58 PolarHBondContact O-N 2.75Å; I48-D58 WeakPolarHBondContact CD1-OD1 3.43Å
59V93.2Very high91.6Very high54 Ų5488.3 Ų88.333%0.32747%0.474SS..EExtended strand (participates in β ladder)trans-117.3108.9167-170.70000108.6V43 V45 F57 L62V43-V59 HydrophobicContact CG1-CG1 4.19Å; V45-V59 HydrophobicContact CG2-CG1 4.24Å; V45-V59 HydrophobicContact CG2-CG2 4.29Å; F57-V59 HydrophobicContact CD2-CG2 3.58Å; F57-V59 HydrophobicContact CE2-CG2 3.47Å; F57-V59 VanDerWaalsContact CE2-CG2 3.47Å; V59-L62 HydrophobicContact CG1-CB 3.52Å; V59-L62 HydrophobicContact CG1-CD2 3.82Å; V59-L62 HydrophobicContact CG1-CG 4.25Å
60C91.2Very high91.8Very high54 Ų5485.7 Ų85.737%0.36546%0.464SS..EExtended strand (participates in β ladder)trans-92.5146.2179.5-490000110.7V43 S44 L62V43-C60 WeakPolarHBondContact CA-O 3.43Å; S44-C60 PolarHBondContact N-O 3.4Å; S44-C60 PolarHBondContact O-N 2.87Å; S44-C60 WeakPolarHBondContact OG-CB 3.26Å; C60-L62 PolarHBondContact O-N 3.48Å; C60-L62 VanDerWaalsContact O-N 3.14Å
61N88.5Confident91.9Very high105 Ų10586.1 Ų86.156%0.56146%0.458SS*.SBendtrans62.212.5176.9-52.2-43.1000115.9Y39 N42Y39-N61 WeakPolarHBondContact CE2-O 3.36Å; Y39-N61 PolarHBondContact OH-O 2.81Å; N42-N61 HydrophobicContact CB-CB 4.45Å; N42-N61 WeakPolarHBondContact O-CB 3.12Å; N42-N61 PolarHBondContact O-ND2 2.89Å
62L88.6Confident92Very high46 Ų4691 Ų9124%0.24147%0.467CS..  trans-85.4133.9172.2-171.670.9000110.9Y39 V43 V59 C60 F66 A67Y39-L62 WeakPolarHBondContact OH-CA 3.44Å; V43-L62 HydrophobicContact CG1-CB 4.4Å; V43-L62 HydrophobicContact CG1-CD1 4.38Å; V43-L62 HydrophobicContact CG2-CD1 4.32Å; V59-L62 HydrophobicContact CG1-CB 3.52Å; V59-L62 HydrophobicContact CG1-CD2 3.82Å; V59-L62 HydrophobicContact CG1-CG 4.25Å; C60-L62 PolarHBondContact O-N 3.48Å; C60-L62 VanDerWaalsContact O-N 3.14Å; L62-F66 HydrophobicContact CD1-CB 3.69Å; L62-F66 HydrophobicContact CD1-CD2 3.92Å; L62-F66 HydrophobicContact CD1-CG 4.09Å; L62-F66 HydrophobicContact CD2-CB 3.95Å; L62-F66 HydrophobicContact CG-CB 3.83Å; L62-A67 HydrophobicContact CD2-CB 4.26Å
63H86.4Confident92.3Very high66 Ų6687 Ų8731%0.30645%0.445SS..  trans-69.3138.4179.4-170.6-94.3000109.8W24 Y39 S65 F66 A67W24-H63 AromaticContact CH2-CD2 3.99Å; Y39-H63 PolarHBondContact OH-N 3.38Å; H63-S65 PolarHBondContact ND1-N 3.48Å; H63-S65 PolarHBondContact ND1-OG 2.91Å; H63-S65 PolarHBondContact O-N 2.95Å; H63-F66 HydrophobicContact CB-CD2 3.77Å; H63-F66 HydrophobicContact CB-CE2 4.1Å; H63-F66 PolarHBondContact O-N 2.96Å; H63-A67 PolarHBondContact O-N 3.03Å
64P87.7Confident92.5Very high78 Ų7882.4 Ų82.451%0.50643%0.434SS..Hα-helixtrans-55.6-28.2-175.4-29.235.9000114.7F66 A67 N68P64-F66 VanDerWaalsContact C-N 3.35Å; P64-F66 PolarHBondContact O-N 2.88Å; P64-A67 PolarHBondContact O-N 3.24Å; P64-N68 WeakPolarHBondContact O-CB 3.44Å; P64-N68 PolarHBondContact O-N 2.97Å
65S87.5Confident92.5Very high65 Ų6584.8 Ų84.846%0.45544%0.44SS..Hα-helixtrans-60.5-41.917562.30000112.4H63 A69H63-S65 PolarHBondContact ND1-N 3.48Å; H63-S65 PolarHBondContact ND1-OG 2.91Å; H63-S65 PolarHBondContact O-N 2.95Å; S65-A69 WeakPolarHBondContact O-CB 3.45Å; S65-A69 PolarHBondContact O-N 3.5Å
66F89.8Confident92.4Very high94 Ų9484.5 Ų84.541%0.41245%0.451SS..Hα-helixtrans-71.2-40177.8-63.6-64.8000111.6Y39 L62 H63 P64 N68 A69 L70Y39-F66 HydrophobicContact CE1-CD2 4.41Å; Y39-F66 AromaticContact CE1-CE2 3.97Å; Y39-F66 HydrophobicContact CE1-CE2 3.97Å; L62-F66 HydrophobicContact CD1-CB 3.69Å; L62-F66 HydrophobicContact CD1-CD2 3.92Å; L62-F66 HydrophobicContact CD1-CG 4.09Å; L62-F66 HydrophobicContact CD2-CB 3.95Å; L62-F66 HydrophobicContact CG-CB 3.83Å; H63-F66 HydrophobicContact CB-CD2 3.77Å; H63-F66 HydrophobicContact CB-CE2 4.1Å; H63-F66 PolarHBondContact O-N 2.96Å; P64-F66 VanDerWaalsContact C-N 3.35Å; P64-F66 PolarHBondContact O-N 2.88Å; F66-N68 VanDerWaalsContact C-N 3.34Å; F66-N68 PolarHBondContact O-N 3.41Å; F66-A69 PolarHBondContact O-N 2.97Å; F66-L70 WeakPolarHBondContact O-CB 3.26Å; F66-L70 PolarHBondContact O-N 2.88Å
67A90.6Very high92.2Very high49 Ų4985 Ų8541%0.40545%0.453SS..Hα-helixtrans-61.2-44.4175.500000111.5L62 H63 P64 L70 R71L62-A67 HydrophobicContact CD2-CB 4.26Å; H63-A67 PolarHBondContact O-N 3.03Å; P64-A67 PolarHBondContact O-N 3.24Å; A67-L70 PolarHBondContact O-N 3.12Å; A67-R71 WeakPolarHBondContact O-CB 3.39Å; A67-R71 PolarHBondContact O-N 2.71Å
68N92.4Very high92Very high86 Ų8685 Ų8546%0.4646%0.46SS..Hα-helixtrans-67.6-37.3176.2-17247.6000112.2P64 F66 R71 R72P64-N68 WeakPolarHBondContact O-CB 3.44Å; P64-N68 PolarHBondContact O-N 2.97Å; F66-N68 VanDerWaalsContact C-N 3.34Å; F66-N68 PolarHBondContact O-N 3.41Å; N68-R71 PolarHBondContact O-N 3.27Å; N68-R72 WeakPolarHBondContact O-CG 3.41Å; N68-R72 PolarHBondContact O-N 3.47Å
69A94.4Very high91.9Very high42 Ų4285.8 Ų85.835%0.34747%0.469SS..Hα-helixtrans-61.2-48.7172.900000111.3S65 F66 R71 R72 I73S65-A69 WeakPolarHBondContact O-CB 3.45Å; S65-A69 PolarHBondContact O-N 3.5Å; F66-A69 PolarHBondContact O-N 2.97Å; A69-R71 VanDerWaalsContact C-N 3.32Å; A69-R71 PolarHBondContact O-N 3.48Å; A69-R72 WeakPolarHBondContact O-CB 3.33Å; A69-R72 PolarHBondContact O-N 2.92Å; A69-R72 VanDerWaalsContact O-N 3.09Å; A69-I73 WeakPolarHBondContact O-CG1 3.44Å; A69-I73 PolarHBondContact O-N 3.18Å
70L94.4Very high91.8Very high77 Ų7788.8 Ų88.840%0.40349%0.487SS..Hα-helixtrans-58.1-44.1176.3-179.861.4000111.6F66 A67 R72 I73 L74F66-L70 WeakPolarHBondContact O-CB 3.26Å; F66-L70 PolarHBondContact O-N 2.88Å; A67-L70 PolarHBondContact O-N 3.12Å; L70-R72 VanDerWaalsContact C-N 3.31Å; L70-R72 PolarHBondContact O-N 2.92Å; L70-I73 PolarHBondContact O-N 2.84Å; L70-L74 HydrophobicContact CD1-CD1 4.4Å; L70-L74 HydrophobicContact CD1-CG 4.28Å; L70-L74 HydrophobicContact CG-CD1 4.1Å; L70-L74 HydrophobicContact CG-CG 4.45Å; L70-L74 WeakPolarHBondContact O-CB 3.48Å; L70-L74 VanDerWaalsContact O-CG 3.3Å; L70-L74 WeakPolarHBondContact O-CG 3.38Å; L70-L74 PolarHBondContact O-N 3.16Å
71R95.4Very high91.7Very high150 Ų15087.6 Ų87.657%0.56648%0.478SS*.Hα-helixtrans-56.9-43.2174.5179-178.3173.1-80-4.1112.2A67 N68 A69 I75A67-R71 WeakPolarHBondContact O-CB 3.39Å; A67-R71 PolarHBondContact O-N 2.71Å; N68-R71 PolarHBondContact O-N 3.27Å; A69-R71 VanDerWaalsContact C-N 3.32Å; A69-R71 PolarHBondContact O-N 3.48Å; R71-I75 HydrophobicContact CG-CD1 4Å; R71-I75 WeakPolarHBondContact O-CD1 3.45Å; R71-I75 VanDerWaalsContact O-CG1 3.31Å; R71-I75 WeakPolarHBondContact O-CG1 3.45Å; R71-I75 PolarHBondContact O-N 3.39Å
72R95.8Very high91.9Very high158 Ų15885.3 Ų85.360%0.59647%0.474SS*.Hα-helixtrans-66-44.3178.3-72178.664-167.4-3.3111.6N68 A69 L70 L74 I75 A76N68-R72 WeakPolarHBondContact O-CG 3.41Å; N68-R72 PolarHBondContact O-N 3.47Å; A69-R72 WeakPolarHBondContact O-CB 3.33Å; A69-R72 PolarHBondContact O-N 2.92Å; A69-R72 VanDerWaalsContact O-N 3.09Å; L70-R72 VanDerWaalsContact C-N 3.31Å; L70-R72 PolarHBondContact O-N 2.92Å; R72-L74 PolarHBondContact O-N 3.41Å; R72-I75 PolarHBondContact O-N 2.95Å; R72-A76 WeakPolarHBondContact O-CB 3.48Å; R72-A76 PolarHBondContact O-N 3.4Å
73I97.2Very high92.1Very high72 Ų7286 Ų8637%0.36948%0.478SS..Hα-helixtrans-60.4-47.5178.3-67.7165.6000110.4A69 L70 I75 A76 E77 V78A69-I73 WeakPolarHBondContact O-CG1 3.44Å; A69-I73 PolarHBondContact O-N 3.18Å; L70-I73 PolarHBondContact O-N 2.84Å; I73-I75 PolarHBondContact O-N 2.99Å; I73-A76 PolarHBondContact O-N 2.89Å; I73-E77 HydrophobicContact CG2-CB 4.18Å; I73-E77 PolarHBondContact O-N 2.73Å; I73-V78 PolarHBondContact O-N 3.36Å
74L95.9Very high92.3Very high107 Ų10790.9 Ų90.956%0.5650%0.5SS*.Hα-helixtrans-57.4-34.8179.1-74.8170.7000113.4L70 R72L70-L74 HydrophobicContact CD1-CD1 4.4Å; L70-L74 HydrophobicContact CD1-CG 4.28Å; L70-L74 HydrophobicContact CG-CD1 4.1Å; L70-L74 HydrophobicContact CG-CG 4.45Å; L70-L74 WeakPolarHBondContact O-CB 3.48Å; L70-L74 VanDerWaalsContact O-CG 3.3Å; L70-L74 WeakPolarHBondContact O-CG 3.38Å; L70-L74 PolarHBondContact O-N 3.16Å; R72-L74 PolarHBondContact O-N 3.41Å
75I93.9Very high92.4Very high122 Ų12296 Ų9663%0.62652%0.515SS*.Hα-helixtrans-87-39.2-176.4-65168000111.8R71 R72 I73R71-I75 HydrophobicContact CG-CD1 4Å; R71-I75 WeakPolarHBondContact O-CD1 3.45Å; R71-I75 VanDerWaalsContact O-CG1 3.31Å; R71-I75 WeakPolarHBondContact O-CG1 3.45Å; R71-I75 PolarHBondContact O-N 3.39Å; R72-I75 PolarHBondContact O-N 2.95Å; I73-I75 PolarHBondContact O-N 2.99Å
76A93.1Very high92.5Very high83 Ų8395.3 Ų95.369%0.68651%0.507SS*.Hα-helixtrans-115.9-22-164.200000114.8R72 I73R72-A76 WeakPolarHBondContact O-CB 3.48Å; R72-A76 PolarHBondContact O-N 3.4Å; I73-A76 PolarHBondContact O-N 2.89Å
77E91.4Very high92.6Very high122 Ų12298.7 Ų98.757%0.5752%0.522SS*.THydrogen-bonded Turntrans-117.4-15.4-167.9-62.7-179.9-141.300113.6I73 P79I73-E77 HydrophobicContact CG2-CB 4.18Å; I73-E77 PolarHBondContact O-N 2.73Å; E77-P79 WeakPolarHBondContact O-CD 3.46Å
78V91.7Very high92.4Very high83 Ų8399.1 Ų99.150%0.50352%0.517SS..SBendtrans-66.7116.2173.6178.30000108.9I73 T80I73-V78 PolarHBondContact O-N 3.36Å; V78-T80 PolarHBondContact O-N 2.95Å
79P90.8Very high92.4Very high89 Ų89103.7 Ų103.758%0.57853%0.533SS*.  trans-60.4140.9-178.7-23.235000110.8E77 P113E77-P79 WeakPolarHBondContact O-CD 3.46Å; P79-P113 HydrophobicContact CB-CB 3.89Å; P79-P113 HydrophobicContact CB-CG 3.88Å; P79-P113 WeakPolarHBondContact O-CG 3.48Å
80T91.1Very high92.4Very high116 Ų116109.6 Ų109.671%0.71255%0.554SS**  trans-146.3167.8175.9-168.80000110.1V78V78-T80 PolarHBondContact O-N 2.95Å
81V90.2Very high92.4Very high29 Ų29108.1 Ų108.118%0.17655%0.546CS..  trans-117.7128.5-178.7-170.60000109L109 V111 P113 L116V81-L109 HydrophobicContact CG1-CD1 4.23Å; V81-V111 HydrophobicContact CB-CB 4.18Å; V81-V111 HydrophobicContact CG2-CB 4Å; V81-V111 HydrophobicContact CG2-CG1 3.99Å; V81-P113 HydrophobicContact CG2-CB 3.98Å; V81-L116 HydrophobicContact CB-CD1 4.3Å; V81-L116 HydrophobicContact CG1-CD1 3.85Å; V81-L116 HydrophobicContact CG2-CD1 3.41Å; V81-L116 VanDerWaalsContact CG2-CD1 3.41Å
82A91.6Very high92.4Very high58 Ų58107 Ų10748%0.47956%0.556SS.*  trans-136.6160.6-179.900000111.4E84A82-E84 PolarHBondContact O-N 2.7Å
83I92.8Very high92.3Very high61 Ų61102.5 Ų102.531%0.31355%0.549SS..  trans-78.6105.9174.9-56.1176.3000108.3V86 G105 L109I83-V86 HydrophobicContact CG2-CG2 3.54Å; I83-G105 WeakPolarHBondContact O-CA 3.28Å; I83-L109 HydrophobicContact CG1-CD1 4.08Å
84E91.2Very high92.3Very high167 Ų167106.1 Ų106.178%0.7857%0.574SS**  trans-96.9-50.4-178.8-172.7-175.6-175.200112.8A82A82-E84 PolarHBondContact O-N 2.7Å
85K89.4Confident92.3Very high186 Ų186103.8 Ų103.881%0.80956%0.561SS**  trans-103.8119.8-176.7-65179.3-176171.50110.5
86V89Confident92.4Very high50 Ų50100.9 Ų100.930%0.30355%0.55SS.*  trans-123125.4177.3-177.90000109.5I83 L88 V101 L104I83-V86 HydrophobicContact CG2-CG2 3.54Å; V86-L88 HydrophobicContact CG1-CD2 4.01Å; V86-L88 HydrophobicContact CG1-CG 4.16Å; V86-V101 HydrophobicContact CB-CB 4.47Å; V86-V101 HydrophobicContact CB-CG1 3.84Å; V86-V101 HydrophobicContact CB-CG2 3.87Å; V86-V101 HydrophobicContact CG1-CG2 3.98Å; V86-V101 HydrophobicContact CG2-CG1 3.83Å; V86-V101 HydrophobicContact CG2-CG2 4.47Å; V86-L104 HydrophobicContact CG1-CD1 4.04Å; V86-L104 HydrophobicContact CG2-CD1 4.22Å
87K91.7Very high92.4Very high166 Ų166100.5 Ų100.572%0.72254%0.537SS*.  trans-97.1107.9169-174.1173.3-178.3175.90108.7F89K87-F89 HydrophobicContact CD-CE1 4.44Å; K87-F89 HydrophobicContact CD-CZ 4.19Å; K87-F89 HydrophobicContact CG-CZ 4.36Å
88L86.7Confident92.4Very high58 Ų58101.1 Ų101.130%0.30454%0.54SS..  trans-84.6132.7175.5-69.7175.3000110.3V86 D97 L100 V101V86-L88 HydrophobicContact CG1-CD2 4.01Å; V86-L88 HydrophobicContact CG1-CG 4.16Å; L88-D97 HydrophobicContact CD1-CB 3.55Å; L88-D97 VanDerWaalsContact CD1-CG 3.43Å; L88-L100 HydrophobicContact CD2-CD2 4.45Å; L88-V101 HydrophobicContact CD1-CG2 3.63Å; L88-V101 HydrophobicContact CD2-CG2 4.46Å; L88-V101 HydrophobicContact CG-CG2 3.97Å
89F92.5Very high92.6Very high182 Ų182100.4 Ų100.480%0.79854%0.535SS*.SBendtrans-99.1-37177.6-65.3-85.5000112K87K87-F89 HydrophobicContact CD-CE1 4.44Å; K87-F89 HydrophobicContact CD-CZ 4.19Å; K87-F89 HydrophobicContact CG-CZ 4.36Å
90Q95Very high92.8Very high165 Ų16598.4 Ų98.477%0.77152%0.52SS*.  trans-157.9128.7179.1-172174.711.100109.8T92Q90-T92 HydrophobicContact CG-CG2 4.13Å
91N93.9Very high92.9Very high47 Ų4794.6 Ų94.625%0.25150%0.496SS..  trans-132115.9167.8177.718.4000107.9S93 I95 D97N91-S93 WeakPolarHBondContact OD1-CB 3.45Å; N91-S93 PolarHBondContact OD1-N 2.8Å; N91-S93 PolarHBondContact OD1-OG 2.63Å; N91-I95 PolarHBondContact ND2-O 3.15Å; N91-D97 WeakPolarHBondContact CB-OD1 3.43Å; N91-D97 PolarHBondContact ND2-OD1 3.36Å
92T94.8Very high93.1Very high126 Ų12699.2 Ų99.277%0.77352%0.516SS*.  trans-106.47.3177.355.70000112.3Q90Q90-T92 HydrophobicContact CG-CG2 4.13Å
93S95.2Very high93.3Very high64 Ų64103.4 Ų103.445%0.44852%0.519SS..SBendtrans-81.8168.7-179.7810000111.9N91 I95N91-S93 WeakPolarHBondContact OD1-CB 3.45Å; N91-S93 PolarHBondContact OD1-N 2.8Å; N91-S93 PolarHBondContact OD1-OG 2.63Å; S93-I95 PolarHBondContact O-N 2.87Å; S93-I95 PolarHBondContact OG-N 2.96Å; S93-I95 PolarHBondContact OG-O 2.85Å
94V96.5Very high93.4Very high147 Ų147103.1 Ų103.189%0.89152%0.518SS*.SBendtrans-74-16.8174.4-177.50000111.7P96V94-P96 WeakPolarHBondContact O-CD 3.43Å
95I95.2Very high93.4Very high58 Ų5896.3 Ų96.330%0.29749%0.493SS..SBendtrans-78.8122.3-178-61.9174.2000108.3N91 S93 V99 L100N91-I95 PolarHBondContact ND2-O 3.15Å; S93-I95 PolarHBondContact O-N 2.87Å; S93-I95 PolarHBondContact OG-N 2.96Å; S93-I95 PolarHBondContact OG-O 2.85Å; I95-V99 HydrophobicContact CG2-CB 3.81Å; I95-V99 HydrophobicContact CG2-CG1 3.8Å; I95-L100 HydrophobicContact CG2-CB 4.14Å
96P95.7Very high93.7Very high61 Ų6193.2 Ų93.240%0.39648%0.484SS..  trans-59.1148.6175.4-24.135000112.5V94 E98 V99 L100V94-P96 WeakPolarHBondContact O-CD 3.43Å; P96-E98 VanDerWaalsContact C-N 3.28Å; P96-E98 WeakPolarHBondContact CB-OE1 3.42Å; P96-E98 VanDerWaalsContact CB-OE2 3.25Å; P96-E98 WeakPolarHBondContact CB-OE2 3.33Å; P96-E98 PolarHBondContact O-N 2.94Å; P96-V99 HydrophobicContact CB-CG2 4.28Å; P96-V99 HydrophobicContact CG-CG2 4.37Å; P96-V99 PolarHBondContact O-N 3.22Å; P96-L100 PolarHBondContact O-N 3.17Å
97D94.1Very high94Very high76 Ų7694.7 Ų94.741%0.40649%0.49SS..Hα-helixtrans-54.8-42.2-176.1-78.21.9000112.4L88 N91 V99 L100 V101L88-D97 HydrophobicContact CD1-CB 3.55Å; L88-D97 VanDerWaalsContact CD1-CG 3.43Å; N91-D97 WeakPolarHBondContact CB-OD1 3.43Å; N91-D97 PolarHBondContact ND2-OD1 3.36Å; D97-V99 VanDerWaalsContact C-N 3.32Å; D97-V99 PolarHBondContact O-N 3.22Å; D97-L100 PolarHBondContact O-N 3.11Å; D97-V101 WeakPolarHBondContact O-CB 3.36Å; D97-V101 VanDerWaalsContact O-CG2 3.27Å; D97-V101 WeakPolarHBondContact O-CG2 3.35Å; D97-V101 PolarHBondContact O-N 3.11Å
98E92.5Very high94.1Very high134 Ų13492.5 Ų92.563%0.62649%0.492SS*.Hα-helixtrans-63.7-37.1178.568.8-77.8-174.600112.5P96 H102P96-E98 VanDerWaalsContact C-N 3.28Å; P96-E98 WeakPolarHBondContact CB-OE1 3.42Å; P96-E98 VanDerWaalsContact CB-OE2 3.25Å; P96-E98 WeakPolarHBondContact CB-OE2 3.33Å; P96-E98 PolarHBondContact O-N 2.94Å; E98-H102 VanDerWaalsContact O-CB 3.23Å; E98-H102 WeakPolarHBondContact O-CB 3.5Å; E98-H102 PolarHBondContact O-N 2.94Å
99V94.9Very high94.4Very high68 Ų6892.9 Ų92.941%0.41249%0.494SS..Hα-helixtrans-72.5-41.4177.1179.60000110I95 P96 D97 R103I95-V99 HydrophobicContact CG2-CB 3.81Å; I95-V99 HydrophobicContact CG2-CG1 3.8Å; P96-V99 HydrophobicContact CB-CG2 4.28Å; P96-V99 HydrophobicContact CG-CG2 4.37Å; P96-V99 PolarHBondContact O-N 3.22Å; D97-V99 VanDerWaalsContact C-N 3.32Å; D97-V99 PolarHBondContact O-N 3.22Å; V99-R103 VanDerWaalsContact O-CG 3.3Å; V99-R103 WeakPolarHBondContact O-CG 3.47Å; V99-R103 PolarHBondContact O-N 3.11Å; V99-R103 VanDerWaalsContact O-N 3.09Å
100L94.3Very high94.4Very high48 Ų4895.4 Ų95.425%0.25150%0.498SS..Hα-helixtrans-63.6-48.7177.4-179.561.8000111.4L88 I95 P96 D97 R103 L104L88-L100 HydrophobicContact CD2-CD2 4.45Å; I95-L100 HydrophobicContact CG2-CB 4.14Å; P96-L100 PolarHBondContact O-N 3.17Å; D97-L100 PolarHBondContact O-N 3.11Å; L100-R103 WeakPolarHBondContact O-CB 3.08Å; L100-R103 PolarHBondContact O-N 3.3Å; L100-L104 WeakPolarHBondContact O-CG 3.1Å; L100-L104 PolarHBondContact O-N 3.48Å
101V94.3Very high94.2Very high35 Ų3591 Ų9121%0.21248%0.482CS..Hα-helixtrans-63.2-43.2178.71710000111.3V86 L88 D97 R103 L104 G105V86-V101 HydrophobicContact CB-CB 4.47Å; V86-V101 HydrophobicContact CB-CG1 3.84Å; V86-V101 HydrophobicContact CB-CG2 3.87Å; V86-V101 HydrophobicContact CG1-CG2 3.98Å; V86-V101 HydrophobicContact CG2-CG1 3.83Å; V86-V101 HydrophobicContact CG2-CG2 4.47Å; L88-V101 HydrophobicContact CD1-CG2 3.63Å; L88-V101 HydrophobicContact CD2-CG2 4.46Å; L88-V101 HydrophobicContact CG-CG2 3.97Å; D97-V101 WeakPolarHBondContact O-CB 3.36Å; D97-V101 VanDerWaalsContact O-CG2 3.27Å; D97-V101 WeakPolarHBondContact O-CG2 3.35Å; D97-V101 PolarHBondContact O-N 3.11Å; V101-R103 VanDerWaalsContact C-N 3.27Å; V101-R103 PolarHBondContact O-N 3.32Å; V101-L104 WeakPolarHBondContact O-CB 3.42Å; V101-L104 PolarHBondContact O-N 3.32Å; V101-G105 PolarHBondContact O-N 3.5Å
102H94.3Very high93.9Very high126 Ų12692.6 Ų92.658%0.58349%0.491SS*.Hα-helixtrans-57.4-42174.6-179.3-85.5000111.6E98 L104 G105 L106E98-H102 VanDerWaalsContact O-CB 3.23Å; E98-H102 WeakPolarHBondContact O-CB 3.5Å; E98-H102 PolarHBondContact O-N 2.94Å; H102-L104 VanDerWaalsContact C-N 3.34Å; H102-L104 PolarHBondContact O-N 3.04Å; H102-G105 PolarHBondContact O-N 3.38Å; H102-L106 WeakPolarHBondContact O-CG 3.4Å; H102-L106 PolarHBondContact O-N 3.09Å
103R95.8Very high93.4Very high146 Ų14688.1 Ų88.155%0.55146%0.464SS*.Hα-helixtrans-64-36.6175.2-71.4176.468.6178.92.2112.9V99 L100 V101 G105 L106V99-R103 VanDerWaalsContact O-CG 3.3Å; V99-R103 WeakPolarHBondContact O-CG 3.47Å; V99-R103 PolarHBondContact O-N 3.11Å; V99-R103 VanDerWaalsContact O-N 3.09Å; L100-R103 WeakPolarHBondContact O-CB 3.08Å; L100-R103 PolarHBondContact O-N 3.3Å; V101-R103 VanDerWaalsContact C-N 3.27Å; V101-R103 PolarHBondContact O-N 3.32Å; R103-G105 VanDerWaalsContact C-N 3.3Å; R103-L106 PolarHBondContact O-N 3.05Å
104L93.6Very high92.7Very high56 Ų5693.6 Ų93.629%0.29348%0.48SS..Hα-helixtrans-62.9-38.6173.3-66.4174000111.4V86 L100 V101 H102 L106 I107V86-L104 HydrophobicContact CG1-CD1 4.04Å; V86-L104 HydrophobicContact CG2-CD1 4.22Å; L100-L104 WeakPolarHBondContact O-CG 3.1Å; L100-L104 PolarHBondContact O-N 3.48Å; V101-L104 WeakPolarHBondContact O-CB 3.42Å; V101-L104 PolarHBondContact O-N 3.32Å; H102-L104 VanDerWaalsContact C-N 3.34Å; H102-L104 PolarHBondContact O-N 3.04Å; L104-L106 VanDerWaalsContact C-N 3.27Å; L104-L106 PolarHBondContact O-N 2.93Å; L104-I107 HydrophobicContact CD2-CD1 4.01Å; L104-I107 WeakPolarHBondContact O-CB 3.03Å; L104-I107 WeakPolarHBondContact O-CG1 3.48Å; L104-I107 PolarHBondContact O-N 3.38Å
105G92.8Very high91.9Very high24 Ų2494 Ų9425%0.24747%0.47CS..Hα-helixtrans-66.4-23.6176.500000114.8I83 V101 H102 R103 I107I83-G105 WeakPolarHBondContact O-CA 3.28Å; V101-G105 PolarHBondContact O-N 3.5Å; H102-G105 PolarHBondContact O-N 3.38Å; R103-G105 VanDerWaalsContact C-N 3.3Å; G105-I107 VanDerWaalsContact C-N 3.3Å; G105-I107 PolarHBondContact O-N 3.42Å
106L94.7Very high90.8Very high121 Ų12195.5 Ų95.563%0.63448%0.478SS*.THydrogen-bonded Turntrans-81.4-3.1176-64.5178.8000114.1H102 R103 L104 P108H102-L106 WeakPolarHBondContact O-CG 3.4Å; H102-L106 PolarHBondContact O-N 3.09Å; R103-L106 PolarHBondContact O-N 3.05Å; L104-L106 VanDerWaalsContact C-N 3.27Å; L104-L106 PolarHBondContact O-N 2.93Å; L106-P108 WeakPolarHBondContact O-CD 3.3Å
107I96.2Very high89.2Confident81 Ų8196.1 Ų96.142%0.41549%0.488SS..SBendtrans-76.2117.4179.1-60.1174.1000109.1L104 G105 L109L104-I107 HydrophobicContact CD2-CD1 4.01Å; L104-I107 WeakPolarHBondContact O-CB 3.03Å; L104-I107 WeakPolarHBondContact O-CG1 3.48Å; L104-I107 PolarHBondContact O-N 3.38Å; G105-I107 VanDerWaalsContact C-N 3.3Å; G105-I107 PolarHBondContact O-N 3.42Å; I107-L109 PolarHBondContact O-N 3.28Å
108P94Very high87.9Confident120 Ų12099.9 Ų99.978%0.77950%0.497SS*.PPolyproline II helixtrans-69.9128.1178.628.3-33.6000111L106L106-P108 WeakPolarHBondContact O-CD 3.3Å
109L93Very high87.1Confident65 Ų6596.7 Ų96.734%0.3449%0.487SS..PPolyproline II helixtrans-100.1134179-58.3178.5000111.4V81 I83 I107 V111V81-L109 HydrophobicContact CG1-CD1 4.23Å; I83-L109 HydrophobicContact CG1-CD1 4.08Å; I107-L109 PolarHBondContact O-N 3.28Å; L109-V111 VanDerWaalsContact C-N 3.3Å; L109-V111 HydrophobicContact CB-CG2 4.2Å; L109-V111 PolarHBondContact O-N 2.97Å
110R92.7Very high86.5Confident235 Ų235100.2 Ų100.289%0.88750%0.499SS*.  trans-83.571.6175-169.3-177.1-71.7170.3-2.6110.8
111V89Confident86.3Confident72 Ų72100.2 Ų100.244%0.43650%0.502SS..  trans-127.4140.3179.5-177.80000109.3V81 L109 P113 L116V81-V111 HydrophobicContact CB-CB 4.18Å; V81-V111 HydrophobicContact CG2-CB 4Å; V81-V111 HydrophobicContact CG2-CG1 3.99Å; L109-V111 VanDerWaalsContact C-N 3.3Å; L109-V111 HydrophobicContact CB-CG2 4.2Å; L109-V111 PolarHBondContact O-N 2.97Å; V111-P113 VanDerWaalsContact O-CD 3.28Å; V111-P113 WeakPolarHBondContact O-CD 3.48Å; V111-L116 HydrophobicContact CG1-CD1 4.36Å
112N87.6Confident86.2Confident81 Ų81100.2 Ų100.243%0.43350%0.502SS..  trans-80.9111.8172.4-178-11.6000109.3K114 K115N112-K114 VanDerWaalsContact C-N 3.25Å; N112-K114 PolarHBondContact O-N 3.34Å; N112-K114 WeakPolarHBondContact OD1-CB 3.39Å; N112-K114 PolarHBondContact OD1-N 3.5Å; N112-K115 HydrophobicContact CB-CD 4.24Å; N112-K115 HydrophobicContact CB-CG 4.19Å; N112-K115 WeakPolarHBondContact O-CB 3.43Å; N112-K115 PolarHBondContact O-N 3.16Å; N112-K115 VanDerWaalsContact O-N 3.15Å
113P85.3Confident86.3Confident33 Ų3397.2 Ų97.221%0.21449%0.486CS..G310 helixtrans-65.2-27.8-177.629.1-38.1000112.7P79 V81 V111 K115 L116P79-P113 HydrophobicContact CB-CB 3.89Å; P79-P113 HydrophobicContact CB-CG 3.88Å; P79-P113 WeakPolarHBondContact O-CG 3.48Å; V81-P113 HydrophobicContact CG2-CB 3.98Å; V111-P113 VanDerWaalsContact O-CD 3.28Å; V111-P113 WeakPolarHBondContact O-CD 3.48Å; P113-K115 PolarHBondContact O-N 3.45Å; P113-K115 VanDerWaalsContact O-N 3.08Å; P113-L116 WeakPolarHBondContact O-CB 3.31Å; P113-L116 PolarHBondContact O-N 3.41Å
114K80.6Confident86.3Confident179 Ų17990.5 Ų90.578%0.77846%0.461SS*.G310 helixtrans-63.8-16.5177.5-61.3-172.5177.2-176.30112.9N112N112-K114 VanDerWaalsContact C-N 3.25Å; N112-K114 PolarHBondContact O-N 3.34Å; N112-K114 WeakPolarHBondContact OD1-CB 3.39Å; N112-K114 PolarHBondContact OD1-N 3.5Å
115K79.7Confident86.4Confident155 Ų15593.9 Ų93.967%0.67447%0.47SS*.G310 helixtrans-86.4-6.4174.8-63.9-174.3175.9-175.30113.5N112 P113N112-K115 HydrophobicContact CB-CD 4.24Å; N112-K115 HydrophobicContact CB-CG 4.19Å; N112-K115 WeakPolarHBondContact O-CB 3.43Å; N112-K115 PolarHBondContact O-N 3.16Å; N112-K115 VanDerWaalsContact O-N 3.15Å; P113-K115 PolarHBondContact O-N 3.45Å; P113-K115 VanDerWaalsContact O-N 3.08Å
116L71.5Confident86.5Confident90 Ų9097 Ų9747%0.47148%0.481SS..SBendtrans-102-7.5-179.6-63.3177.8000113.3V81 V111 P113 W118V81-L116 HydrophobicContact CB-CD1 4.3Å; V81-L116 HydrophobicContact CG1-CD1 3.85Å; V81-L116 HydrophobicContact CG2-CD1 3.41Å; V81-L116 VanDerWaalsContact CG2-CD1 3.41Å; V111-L116 HydrophobicContact CG1-CD1 4.36Å; P113-L116 WeakPolarHBondContact O-CB 3.31Å; P113-L116 PolarHBondContact O-N 3.41Å; L116-W118 PolarHBondContact O-N 3.25Å
117A63.3Low86.4Confident74 Ų7495.6 Ų95.661%0.61247%0.474SS*.  trans-7689.8179.600000110.3
118W65.7Low86.3Confident155 Ų15597.7 Ų97.759%0.58749%0.49SS*.  trans-11875.5159-59-67.8000107.4L116 L158L116-W118 PolarHBondContact O-N 3.25Å; W118-L158 HydrophobicContact CE3-CD2 4.49Å
119T75.4Confident86.2Confident67 Ų6795.7 Ų95.741%0.41147%0.467SS..  trans-108.6124.7160.953.10000108.8L156 T157T119-L156 VanDerWaalsContact CA-O 3.23Å; T119-L156 WeakPolarHBondContact CA-O 2.99Å; T119-T157 HydrophobicContact CG2-CG2 4.18Å
120E82.8Confident86.2Confident141 Ų14197.9 Ų97.966%0.65948%0.483SS*.EExtended strand (participates in β ladder)trans-101113.3171.8-68.6-65.7159.200107.6L156E120-L156 PolarHBondContact N-O 2.83Å; E120-L156 PolarHBondContact O-N 3.25Å
121P90Very high86.2Confident49 Ų4988.5 Ų88.532%0.31845%0.453SS..EExtended strand (participates in β ladder)trans-73.1129.917929.2-34.8000110.9Y123 L152P121-Y123 HydrophobicContact CB-CD2 4.18Å; P121-Y123 HydrophobicContact CB-CE2 3.51Å; P121-Y123 HydrophobicContact CG-CD2 4.4Å; P121-Y123 HydrophobicContact CG-CE2 3.54Å; P121-L152 HydrophobicContact CB-CD1 3.63Å
122V93Very high86.3Confident35 Ų3590 Ų9021%0.21246%0.458CS..EExtended strand (participates in β ladder)trans-95.7123.9171.6179.90000108.4D126 I153 D154 L156V122-D126 HydrophobicContact CG1-CB 4.27Å; V122-I153 PolarHBondContact O-N 3.49Å; V122-D154 HydrophobicContact CB-CB 4.5Å; V122-D154 PolarHBondContact N-O 2.85Å; V122-D154 PolarHBondContact O-N 3.36Å; V122-L156 HydrophobicContact CG2-CD1 3.63Å; V122-L156 HydrophobicContact CG2-CD2 4.47Å; V122-L156 HydrophobicContact CG2-CG 3.75Å
123Y96.1Very high86.5Confident62 Ų6294.3 Ų94.324%0.24348%0.481CS..EExtended strand (participates in β ladder)trans-112.1164.7-178.2-69.5-82.6000111.5P121 R125 D126 D150 I151 L152P121-Y123 HydrophobicContact CB-CD2 4.18Å; P121-Y123 HydrophobicContact CB-CE2 3.51Å; P121-Y123 HydrophobicContact CG-CD2 4.4Å; P121-Y123 HydrophobicContact CG-CE2 3.54Å; Y123-R125 VanDerWaalsContact CD2-CZ 3.45Å; Y123-R125 PolarHBondContact O-N 2.89Å; Y123-R125 VanDerWaalsContact O-N 3.11Å; Y123-D126 PolarHBondContact N-OD2 3.2Å; Y123-D126 WeakPolarHBondContact O-CB 3.49Å; Y123-D126 PolarHBondContact O-N 2.78Å; Y123-D150 WeakPolarHBondContact CD1-O 3.49Å; Y123-I151 CarbonylContact C-O 3.54Å; Y123-I151 VanDerWaalsContact CA-O 3.31Å; Y123-I151 WeakPolarHBondContact CA-O 3.27Å; Y123-L152 HydrophobicContact CD1-CB 4.27Å; Y123-L152 HydrophobicContact CD1-CD1 4.4Å; Y123-L152 HydrophobicContact CE1-CB 4.08Å; Y123-L152 HydrophobicContact CE1-CD1 4.06Å
124S96.1Very high86.8Confident6 Ų694.8 Ų94.84%0.04249%0.491CS..G310 helixtrans-52.9-32.4173.854.20000113.8D126 L127 P146 Y148 P149 D150 I151S124-D126 PolarHBondContact O-N 2.8Å; S124-L127 VanDerWaalsContact O-CB 3.31Å; S124-L127 WeakPolarHBondContact O-CB 3.29Å; S124-L127 PolarHBondContact O-N 3.22Å; S124-L127 VanDerWaalsContact O-N 3.13Å; S124-P146 WeakPolarHBondContact O-CG 3.45Å; S124-Y148 WeakPolarHBondContact CB-O 3.13Å; S124-Y148 PolarHBondContact OG-O 3.38Å; S124-P149 WeakPolarHBondContact OG-CA 3.34Å; S124-P149 PolarHBondContact OG-O 3.36Å; S124-D150 PolarHBondContact OG-N 3.46Å; S124-I151 PolarHBondContact N-O 3.01Å; S124-I151 PolarHBondContact OG-N 3.11Å
125R95.6Very high87.4Confident127 Ų12788.9 Ų88.948%0.47947%0.467SS..G310 helixtrans-60.2-22.2174.961-179.3164.7-99.77.9114.8Y123 L127 P149Y123-R125 VanDerWaalsContact CD2-CZ 3.45Å; Y123-R125 PolarHBondContact O-N 2.89Å; Y123-R125 VanDerWaalsContact O-N 3.11Å; R125-L127 PolarHBondContact O-N 2.87Å; R125-P149 HydrophobicContact CB-CB 3.91Å; R125-P149 VanDerWaalsContact CB-O 3.25Å; R125-P149 WeakPolarHBondContact CB-O 2.91Å; R125-P149 VanDerWaalsContact CG-O 3.23Å; R125-P149 WeakPolarHBondContact CG-O 3.32Å; R125-P149 PolarHBondContact N-O 3.29Å; R125-P149 PolarHBondContact NH1-O 3.24Å
126D93.7Very high87.9Confident88 Ų8886 Ų8647%0.47146%0.459SS..G310 helixtrans-78.8-9.5-179.3-54.5-41.5000111.4V122 Y123 S124 T128V122-D126 HydrophobicContact CG1-CB 4.27Å; Y123-D126 PolarHBondContact N-OD2 3.2Å; Y123-D126 WeakPolarHBondContact O-CB 3.49Å; Y123-D126 PolarHBondContact O-N 2.78Å; S124-D126 PolarHBondContact O-N 2.8Å; D126-T128 PolarHBondContact O-N 3.44Å
127L93.8Very high88.9Confident93 Ų9386.9 Ų86.949%0.48746%0.464SS..  trans-72.2109169.5-63172.4000110.7S124 R125 P146 I153S124-L127 VanDerWaalsContact O-CB 3.31Å; S124-L127 WeakPolarHBondContact O-CB 3.29Å; S124-L127 PolarHBondContact O-N 3.22Å; S124-L127 VanDerWaalsContact O-N 3.13Å; R125-L127 PolarHBondContact O-N 2.87Å; L127-P146 HydrophobicContact CD1-CG 4.49Å; L127-I153 HydrophobicContact CD1-CD1 4.06Å; L127-I153 HydrophobicContact CG-CD1 4.17Å
128T92.5Very high90.2Very high124 Ų12489.4 Ų89.476%0.76147%0.466SS*.PPolyproline II helixtrans-90.4127.9175.9570000111.6D126 V130D126-T128 PolarHBondContact O-N 3.44Å; T128-V130 PolarHBondContact O-N 2.95Å
129W93.8Very high91.5Very high79 Ų7985.9 Ų85.930%0.29946%0.455SS..PPolyproline II helixtrans-78117.6174.4178.658.3000111P131 Q135 F139 A143 P144W129-P131 HydrophobicContact CH2-CB 3.72Å; W129-P131 HydrophobicContact CZ2-CB 3.71Å; W129-P131 HydrophobicContact CZ3-CB 4.21Å; W129-Q135 HydrophobicContact CZ2-CB 4.16Å; W129-F139 HydrophobicContact CH2-CB 3.78Å; W129-F139 HydrophobicContact CH2-CD2 4.25Å; W129-F139 HydrophobicContact CH2-CG 4.4Å; W129-F139 HydrophobicContact CZ2-CB 4.31Å; W129-F139 AromaticContact CZ2-CD2 3.98Å; W129-F139 HydrophobicContact CZ2-CD2 3.98Å; W129-F139 HydrophobicContact CZ2-CG 4.45Å; W129-A143 HydrophobicContact CE3-CB 3.54Å; W129-A143 HydrophobicContact CZ3-CB 3.63Å; W129-P144 HydrophobicContact CD2-CB 4.4Å; W129-P144 HydrophobicContact CD2-CG 4.19Å; W129-P144 HydrophobicContact CG-CB 4.25Å; W129-P144 HydrophobicContact CZ2-CG 4.01Å
130V92.1Very high91.9Very high111 Ų11190.1 Ų90.167%0.67347%0.467SS*.PPolyproline II helixtrans-102.1116.9169.2-177.30000108.4T128T128-V130 PolarHBondContact O-N 2.95Å
131P93.1Very high92.2Very high38 Ų3893.6 Ų93.625%0.24748%0.48CS..PPolyproline II helixtrans-73136.3-179.528.4-33.7000111.4W129 Q135 N136W129-P131 HydrophobicContact CH2-CB 3.72Å; W129-P131 HydrophobicContact CZ2-CB 3.71Å; W129-P131 HydrophobicContact CZ3-CB 4.21Å; P131-Q135 HydrophobicContact CB-CB 4.23Å; P131-N136 VanDerWaalsContact CG-ND2 3.31Å; P131-N136 WeakPolarHBondContact CG-ND2 3.47Å; P131-N136 VanDerWaalsContact CG-OD1 3.25Å; P131-N136 WeakPolarHBondContact CG-OD1 3.27Å
132L91.7Very high92.1Very high104 Ų10498.1 Ų98.155%0.54550%0.495SS..PPolyproline II helixtrans-77.8168164.5-58.7175.7000110.9G134 Q135L132-G134 PolarHBondContact O-N 3.18Å; L132-Q135 HydrophobicContact CB-CG 4.12Å; L132-Q135 VanDerWaalsContact O-CB 3.25Å; L132-Q135 WeakPolarHBondContact O-CB 3.42Å; L132-Q135 PolarHBondContact O-N 3.05Å
133D91.7Very high92.1Very high170 Ų17098.4 Ų98.491%0.90950%0.501SS*.THydrogen-bonded Turntrans-49.4131.2179.7-68.2-21.3000112.3Q135D133-Q135 PolarHBondContact O-N 3.18Å; D133-Q135 VanDerWaalsContact O-N 3.12Å
134G90.8Very high92Very high43 Ų4397.9 Ų97.944%0.44351%0.505SS..THydrogen-bonded Turntrans74.9-15.3-178.200000115.8L132 N136 D137 I138L132-G134 PolarHBondContact O-N 3.18Å; G134-N136 VanDerWaalsContact C-N 3.32Å; G134-N136 PolarHBondContact O-N 3.32Å; G134-D137 PolarHBondContact O-N 3.43Å; G134-I138 PolarHBondContact O-N 3.19Å
135Q93.1Very high91.9Very high56 Ų56105.6 Ų105.626%0.26253%0.534SS..Hα-helixtrans-69.4-31.7179.9-65.5-172-18.800112.7W129 P131 L132 D133 D137 I138 F139W129-Q135 HydrophobicContact CZ2-CB 4.16Å; P131-Q135 HydrophobicContact CB-CB 4.23Å; L132-Q135 HydrophobicContact CB-CG 4.12Å; L132-Q135 VanDerWaalsContact O-CB 3.25Å; L132-Q135 WeakPolarHBondContact O-CB 3.42Å; L132-Q135 PolarHBondContact O-N 3.05Å; D133-Q135 PolarHBondContact O-N 3.18Å; D133-Q135 VanDerWaalsContact O-N 3.12Å; Q135-D137 PolarHBondContact O-N 3.23Å; Q135-I138 PolarHBondContact O-N 2.92Å; Q135-F139 HydrophobicContact CB-CD2 4.1Å; Q135-F139 HydrophobicContact CB-CE2 4.38Å; Q135-F139 WeakPolarHBondContact O-CD2 3.49Å; Q135-F139 PolarHBondContact O-N 2.95Å
136N90.2Very high91.8Very high94 Ų94101.6 Ų101.650%0.50352%0.524SS..Hα-helixtrans-53.7-40.4173.1-89.7-39.1000111.3P131 G134 K140P131-N136 VanDerWaalsContact CG-ND2 3.31Å; P131-N136 WeakPolarHBondContact CG-ND2 3.47Å; P131-N136 VanDerWaalsContact CG-OD1 3.25Å; P131-N136 WeakPolarHBondContact CG-OD1 3.27Å; G134-N136 VanDerWaalsContact C-N 3.32Å; G134-N136 PolarHBondContact O-N 3.32Å; N136-K140 WeakPolarHBondContact O-CG 3.34Å; N136-K140 PolarHBondContact O-N 3.26Å; N136-K140 VanDerWaalsContact O-N 3.14Å
137D91.7Very high91.8Very high108 Ų108100 Ų10058%0.57852%0.523SS*.Hα-helixtrans-71.4-37.9179.9-69.4-50000113.4G134 Q135 K140G134-D137 PolarHBondContact O-N 3.43Å; Q135-D137 PolarHBondContact O-N 3.23Å; D137-K140 VanDerWaalsContact CA-CE 3.47Å; D137-K140 WeakPolarHBondContact OD1-CE 3.4Å; D137-K140 IonicContact OD1-NZ 2.71Å; D137-K140 PolarHBondContact OD1-NZ 3.39Å
138I92Very high91.9Very high127 Ų127101.1 Ų101.165%0.65152%0.521SS*.Hα-helixtrans-70.3-40.3-179.8-61.5169.1000111.1G134 Q135G134-I138 PolarHBondContact O-N 3.19Å; Q135-I138 PolarHBondContact O-N 2.92Å
139F91.8Very high92.1Very high81 Ų8198.7 Ų98.736%0.35551%0.508SS..Hα-helixtrans-106.712.8-170.9-60-71.1000114.9W129 Q135 K141 K142 A143 P144W129-F139 HydrophobicContact CH2-CB 3.78Å; W129-F139 HydrophobicContact CH2-CD2 4.25Å; W129-F139 HydrophobicContact CH2-CG 4.4Å; W129-F139 HydrophobicContact CZ2-CB 4.31Å; W129-F139 AromaticContact CZ2-CD2 3.98Å; W129-F139 HydrophobicContact CZ2-CD2 3.98Å; W129-F139 HydrophobicContact CZ2-CG 4.45Å; Q135-F139 HydrophobicContact CB-CD2 4.1Å; Q135-F139 HydrophobicContact CB-CE2 4.38Å; Q135-F139 WeakPolarHBondContact O-CD2 3.49Å; Q135-F139 PolarHBondContact O-N 2.95Å; F139-K141 PolarHBondContact O-N 3.39Å; F139-K142 CarbonylContact O-C 3.2Å; F139-K142 PolarHBondContact O-N 3.31Å; F139-A143 PolarHBondContact O-N 3.11Å; F139-P144 HydrophobicContact CD1-CG 4.32Å; F139-P144 HydrophobicContact CD2-CG 4.45Å; F139-P144 HydrophobicContact CG-CG 4.27Å
140K84.4Confident92.1Very high156 Ų15699.9 Ų99.968%0.67852%0.52SS*.THydrogen-bonded Turntrans-42.7-44.9-177.9-67.7-167.5-167.6-168.20114.6N136 D137N136-K140 WeakPolarHBondContact O-CG 3.34Å; N136-K140 PolarHBondContact O-N 3.26Å; N136-K140 VanDerWaalsContact O-N 3.14Å; D137-K140 VanDerWaalsContact CA-CE 3.47Å; D137-K140 WeakPolarHBondContact OD1-CE 3.4Å; D137-K140 IonicContact OD1-NZ 2.71Å; D137-K140 PolarHBondContact OD1-NZ 3.39Å
141K88.4Confident92.3Very high214 Ų21499 Ų9993%0.9351%0.511SS*.THydrogen-bonded Turntrans-79.3-29.1-174.4-65.7-174.8-179.7179.80113.2F139F139-K141 PolarHBondContact O-N 3.39Å
142K89.2Confident92.5Very high144 Ų144101.1 Ų101.163%0.62652%0.519SS*.SBendtrans-151.689.4-175.2-167.4-179.7-178.7-175.50109.7F139F139-K142 CarbonylContact O-C 3.2Å; F139-K142 PolarHBondContact O-N 3.31Å
143A92Very high92.6Very high42 Ų42100.6 Ų100.635%0.34752%0.517SS..  trans-55.9137.1171.100000111W129 F139 R145W129-A143 HydrophobicContact CE3-CB 3.54Å; W129-A143 HydrophobicContact CZ3-CB 3.63Å; F139-A143 PolarHBondContact O-N 3.11Å; A143-R145 PolarHBondContact O-NH1 3.12Å
144P93.6Very high92.6Very high50 Ų5096.2 Ų96.233%0.32549%0.493SS..  trans-51.3140165.3-26.434.7000111.6W129 F139W129-P144 HydrophobicContact CD2-CB 4.4Å; W129-P144 HydrophobicContact CD2-CG 4.19Å; W129-P144 HydrophobicContact CG-CB 4.25Å; W129-P144 HydrophobicContact CZ2-CG 4.01Å; F139-P144 HydrophobicContact CD1-CG 4.32Å; F139-P144 HydrophobicContact CD2-CG 4.45Å; F139-P144 HydrophobicContact CG-CG 4.27Å
145R93.7Very high92.6Very high169 Ų16999.1 Ų99.164%0.63850%0.495SS*.  trans-161.7162.5178.462.3179.1-179.9-88.411.7109.3A143A143-R145 PolarHBondContact O-NH1 3.12Å
146P95Very high92.3Very high42 Ų4298 Ų9827%0.27349%0.49SS..  trans-53.3143.6170.4-21.328.7000112.2S124 L127 Y148S124-P146 WeakPolarHBondContact O-CG 3.45Å; L127-P146 HydrophobicContact CD1-CG 4.49Å; P146-Y148 VanDerWaalsContact C-N 3.28Å; P146-Y148 WeakPolarHBondContact CB-O 3.37Å; P146-Y148 PolarHBondContact O-N 3.27Å
147A93.5Very high91.9Very high55 Ų5597.1 Ų97.146%0.45549%0.489SS..SBendtrans-64.1-36.2174.500000111.9
148Y96Very high91.4Very high116 Ų11697.3 Ų97.346%0.45549%0.489SS..  trans-127.5132.3177-55.4-72.8000109.6S124 P146 I151 V268S124-Y148 WeakPolarHBondContact CB-O 3.13Å; S124-Y148 PolarHBondContact OG-O 3.38Å; P146-Y148 VanDerWaalsContact C-N 3.28Å; P146-Y148 WeakPolarHBondContact CB-O 3.37Å; P146-Y148 PolarHBondContact O-N 3.27Å; Y148-I151 HydrophobicContact CD2-CD1 4.36Å; Y148-V268 WeakPolarHBondContact CE2-O 2.79Å
149P95.3Very high90.8Very high74 Ų7498 Ų9848%0.48150%0.495SS..THydrogen-bonded Turntrans-86.1-3.3-173.735.2-37.1000114.8S124 R125S124-P149 WeakPolarHBondContact OG-CA 3.34Å; S124-P149 PolarHBondContact OG-O 3.36Å; R125-P149 HydrophobicContact CB-CB 3.91Å; R125-P149 VanDerWaalsContact CB-O 3.25Å; R125-P149 WeakPolarHBondContact CB-O 2.91Å; R125-P149 VanDerWaalsContact CG-O 3.23Å; R125-P149 WeakPolarHBondContact CG-O 3.32Å; R125-P149 PolarHBondContact N-O 3.29Å; R125-P149 PolarHBondContact NH1-O 3.24Å
150D95.6Very high90.5Very high103 Ų10398 Ų9855%0.55150%0.498SS*.THydrogen-bonded Turntrans-122.718.1-167.661.7-30000113Y123 S124 L152Y123-D150 WeakPolarHBondContact CD1-O 3.49Å; S124-D150 PolarHBondContact OG-N 3.46Å; D150-L152 PolarHBondContact O-N 3.44Å
151I96.3Very high90.7Very high92 Ų9297.5 Ų97.547%0.47250%0.501SS..  trans-73.9114.5169.8-61.1162.5000107.1Y123 S124 Y148 I153Y123-I151 CarbonylContact C-O 3.54Å; Y123-I151 VanDerWaalsContact CA-O 3.31Å; Y123-I151 WeakPolarHBondContact CA-O 3.27Å; S124-I151 PolarHBondContact N-O 3.01Å; S124-I151 PolarHBondContact OG-N 3.11Å; Y148-I151 HydrophobicContact CD2-CD1 4.36Å; I151-I153 PolarHBondContact O-N 2.89Å
152L96Very high90.6Very high83 Ų8391.9 Ų91.944%0.43548%0.484SS..EExtended strand (participates in β ladder)trans-63.5126.5173-176.867.5000109.1P121 Y123 D150 D154 E155P121-L152 HydrophobicContact CB-CD1 3.63Å; Y123-L152 HydrophobicContact CD1-CB 4.27Å; Y123-L152 HydrophobicContact CD1-CD1 4.4Å; Y123-L152 HydrophobicContact CE1-CB 4.08Å; Y123-L152 HydrophobicContact CE1-CD1 4.06Å; D150-L152 PolarHBondContact O-N 3.44Å; L152-D154 WeakPolarHBondContact CD1-O 3.47Å; L152-E155 HydrophobicContact CD1-CG 4.2Å; L152-E155 HydrophobicContact CD2-CG 4.22Å
153I94.4Very high90.8Very high94 Ų9494 Ų9448%0.48250%0.496SS..EExtended strand (participates in β ladder)trans-99.2-48.4176.5-63.1178.3000109.5V122 L127 I151V122-I153 PolarHBondContact O-N 3.49Å; L127-I153 HydrophobicContact CD1-CD1 4.06Å; L127-I153 HydrophobicContact CG-CD1 4.17Å; I151-I153 PolarHBondContact O-N 2.89Å
154D92.1Very high90.7Very high78 Ų7895.4 Ų95.442%0.41751%0.508SS..EExtended strand (participates in β ladder)trans-155.4162.2-175.9-155.7-1.5000111.6V122 L152V122-D154 HydrophobicContact CB-CB 4.5Å; V122-D154 PolarHBondContact N-O 2.85Å; V122-D154 PolarHBondContact O-N 3.36Å; L152-D154 WeakPolarHBondContact CD1-O 3.47Å
155E90.1Very high90.7Very high104 Ų10499.5 Ų99.549%0.48653%0.527SS..EExtended strand (participates in β ladder)trans-120.1109.5170.2-70.5-173.6-173.400109.4L152L152-E155 HydrophobicContact CD1-CG 4.2Å; L152-E155 HydrophobicContact CD2-CG 4.22Å
156L86.9Confident90.7Very high31 Ų3196 Ų9616%0.16253%0.528CS..EExtended strand (participates in β ladder)trans-84.9128.9-176.2-58.4-176.8000110.8T119 E120 V122 D160 V162T119-L156 VanDerWaalsContact CA-O 3.23Å; T119-L156 WeakPolarHBondContact CA-O 2.99Å; E120-L156 PolarHBondContact N-O 2.83Å; E120-L156 PolarHBondContact O-N 3.25Å; V122-L156 HydrophobicContact CG2-CD1 3.63Å; V122-L156 HydrophobicContact CG2-CD2 4.47Å; V122-L156 HydrophobicContact CG2-CG 3.75Å; L156-D160 HydrophobicContact CB-CB 4Å; L156-D160 HydrophobicContact CD2-CB 3.97Å; L156-D160 HydrophobicContact CG-CB 4.5Å; L156-V162 HydrophobicContact CD2-CG2 3.77Å
157T82.9Confident90.6Very high77 Ų77102.4 Ų102.447%0.47255%0.548SS..  trans-86.6-179.9169.474.80000111.3T119 N159 D160T119-T157 HydrophobicContact CG2-CG2 4.18Å; T157-N159 PolarHBondContact O-N 2.95Å; T157-N159 VanDerWaalsContact O-N 3.07Å; T157-D160 WeakPolarHBondContact CA-OD2 3.44Å; T157-D160 WeakPolarHBondContact CB-OD2 3.21Å; T157-D160 PolarHBondContact N-OD2 3Å; T157-D160 PolarHBondContact O-N 2.85Å; T157-D160 PolarHBondContact OG1-OD2 3.48Å
158L79.1Confident90.6Very high111 Ų111105.8 Ų105.858%0.58157%0.567SS**THydrogen-bonded Turntrans-58115.8-178-172.570.9000111.7W118W118-L158 HydrophobicContact CE3-CD2 4.49Å
159N79.5Confident90.5Very high143 Ų143105.1 Ų105.177%0.76557%0.574SS**THydrogen-bonded Turntrans79.85.6-177.5-42.8-62.8000116.5T157T157-N159 PolarHBondContact O-N 2.95Å; T157-N159 VanDerWaalsContact O-N 3.07Å
160D86.3Confident90.5Very high80 Ų80111.8 Ų111.843%0.42860%0.596SS.*  trans-70.8135169.5-66.4-28.9000109.8L156 T157L156-D160 HydrophobicContact CB-CB 4Å; L156-D160 HydrophobicContact CD2-CB 3.97Å; L156-D160 HydrophobicContact CG-CB 4.5Å; T157-D160 WeakPolarHBondContact CA-OD2 3.44Å; T157-D160 WeakPolarHBondContact CB-OD2 3.21Å; T157-D160 PolarHBondContact N-OD2 3Å; T157-D160 PolarHBondContact O-N 2.85Å; T157-D160 PolarHBondContact OG1-OD2 3.48Å
161I88.8Confident90.5Very high146 Ų146108.2 Ų108.275%0.74958%0.583SS**  trans-133.4130.6-179.4-60.2173.5000108.2
162V86.9Confident90.5Very high95 Ų95107.9 Ų107.958%0.57658%0.581SS**  trans-116.8114.2171177.40000108.4L156L156-V162 HydrophobicContact CD2-CG2 3.77Å
163E92.2Very high90.5Very high188 Ų188105.7 Ų105.788%0.87958%0.579SS**  trans-121123.1171.2-175.5176-162.500107.9
164A90.4Very high90.5Very high72 Ų72111.1 Ų111.160%0.59559%0.593SS**  trans-151.9133.5-174.300000113.1
165D94Very high90.7Very high136 Ų136112.2 Ų112.273%0.72760%0.599SS**  trans-88.2118.8164.3-73.9-29.8000110.2Y167D165-Y167 HydrophobicContact CB-CE2 3.83Å
166C92.6Very high91.1Very high95 Ų95112.2 Ų112.264%0.64260%0.599SS**  trans-106.5117.8-179.8-69.40000111.1
167Y94.2Very high91.5Very high177 Ų177114.5 Ų114.569%0.69462%0.622SS**  trans-98.5118.6-179.5-61.9-88.7000111.7D165D165-Y167 HydrophobicContact CB-CE2 3.83Å
168C92.1Very high92Very high127 Ų127117.8 Ų117.886%0.85863%0.63SS**  trans-86.2124.6175.3-61.30000111.4
169V95.1Very high92.8Very high101 Ų101114.8 Ų114.861%0.61261%0.612SS**  trans-120.4149.7176.7-61.30000111.2F179V169-F179 HydrophobicContact CG2-CE1 4.06Å; V169-F179 HydrophobicContact CG2-CZ 3.81Å
170K94.3Very high93.6Very high215 Ų215109.6 Ų109.694%0.93559%0.587SS**  trans-75.4128.5171.1179.8-179.6174.2-177.50109.1
171G96.3Very high94.1Very high27 Ų27107.7 Ų107.728%0.27858%0.579SS.*  trans-148.4179.7176.300000111.6
172I96.9Very high94.5Very high85 Ų85102.2 Ų102.244%0.43655%0.553SS.*  trans-126.4153.5176.756.7170000111R174 D175 F179I172-R174 HydrophobicContact CD1-CB 3.89Å; I172-R174 HydrophobicContact CG1-CB 4.13Å; I172-R174 PolarHBondContact O-N 2.82Å; I172-D175 VanDerWaalsContact CG1-OD2 3.3Å; I172-D175 WeakPolarHBondContact CG1-OD2 3.37Å; I172-D175 PolarHBondContact O-N 2.92Å; I172-F179 VanDerWaalsContact C-CB 3.41Å; I172-F179 WeakPolarHBondContact O-CB 3.35Å
173G95Very high94.8Very high37 Ų37101 Ų10138%0.38155%0.552SS.*THydrogen-bonded Turntrans-58.5-17.7-178.700000115.1D175G173-D175 VanDerWaalsContact C-N 3.33Å
174R95.6Very high94.8Very high208 Ų20893.4 Ų93.479%0.78552%0.522SS*.THydrogen-bonded Turntrans-64.8-36.5171.6-175.1-178.966.8179.7-1.1112.3I172I172-R174 HydrophobicContact CD1-CB 3.89Å; I172-R174 HydrophobicContact CG1-CB 4.13Å; I172-R174 PolarHBondContact O-N 2.82Å
175D96.5Very high95Very high102 Ų10293.7 Ų93.755%0.54552%0.519SS..THydrogen-bonded Turntrans-81.8-37.2-174.8-53.3-27.8000110.7I172 G173I172-D175 VanDerWaalsContact CG1-OD2 3.3Å; I172-D175 WeakPolarHBondContact CG1-OD2 3.37Å; I172-D175 PolarHBondContact O-N 2.92Å; G173-D175 VanDerWaalsContact C-N 3.33Å
176H96.9Very high95.1Very high103 Ų10392.1 Ų92.148%0.47751%0.506SS..  trans-163.2146.4175-166.4-91.4000111.4K178 F179H176-K178 HydrophobicContact CB-CD 4.48Å; H176-K178 HydrophobicContact CB-CG 4.11Å; H176-K178 WeakPolarHBondContact ND1-CB 3.38Å; H176-K178 WeakPolarHBondContact ND1-CD 3.28Å; H176-K178 WeakPolarHBondContact ND1-CG 3.35Å; H176-K178 PolarHBondContact ND1-N 3.42Å; H176-K178 VanDerWaalsContact ND1-N 3.1Å; H176-K178 PolarHBondContact O-N 2.66Å; H176-K178 VanDerWaalsContact O-N 3.1Å; H176-F179 HydrophobicContact CB-CD2 3.98Å; H176-F179 HydrophobicContact CB-CE2 4.22Å; H176-F179 PolarHBondContact O-N 3.18Å
177A95Very high95.2Very high79 Ų7993.9 Ų93.965%0.65350%0.5SS*.G310 helixtrans-57.2-29-18000000113.9F179 S180A177-F179 PolarHBondContact O-N 2.99Å; A177-F179 VanDerWaalsContact O-N 3.11Å; A177-S180 WeakPolarHBondContact O-CB 3.18Å; A177-S180 PolarHBondContact O-N 3.3Å
178K94.3Very high95.2Very high146 Ų14689 Ų8964%0.63548%0.48SS*.G310 helixtrans-57.8-22.9175.376.4-168.1166.5-176.10114.2H176H176-K178 HydrophobicContact CB-CD 4.48Å; H176-K178 HydrophobicContact CB-CG 4.11Å; H176-K178 WeakPolarHBondContact ND1-CB 3.38Å; H176-K178 WeakPolarHBondContact ND1-CD 3.28Å; H176-K178 WeakPolarHBondContact ND1-CG 3.35Å; H176-K178 PolarHBondContact ND1-N 3.42Å; H176-K178 VanDerWaalsContact ND1-N 3.1Å; H176-K178 PolarHBondContact O-N 2.66Å; H176-K178 VanDerWaalsContact O-N 3.1Å
179F96.4Very high95.3Very high48 Ų4886.2 Ų86.221%0.21145%0.453CS..G310 helixtrans-95.50.9176.8-59.1-59.5000112.7V169 I172 H176 A177 P181V169-F179 HydrophobicContact CG2-CE1 4.06Å; V169-F179 HydrophobicContact CG2-CZ 3.81Å; I172-F179 VanDerWaalsContact C-CB 3.41Å; I172-F179 WeakPolarHBondContact O-CB 3.35Å; H176-F179 HydrophobicContact CB-CD2 3.98Å; H176-F179 HydrophobicContact CB-CE2 4.22Å; H176-F179 PolarHBondContact O-N 3.18Å; A177-F179 PolarHBondContact O-N 2.99Å; A177-F179 VanDerWaalsContact O-N 3.11Å; F179-P181 WeakPolarHBondContact O-CD 3.32Å
180S96.5Very high95.2Very high34 Ų3483 Ų8324%0.23843%0.432CS..  trans-68.5123.8176.2-175.70000110.3A177 V182 Q270A177-S180 WeakPolarHBondContact O-CB 3.18Å; A177-S180 PolarHBondContact O-N 3.3Å; S180-V182 PolarHBondContact O-N 3.03Å; S180-V182 PolarHBondContact OG-N 3.48Å; S180-V182 PolarHBondContact OG-O 3.41Å; S180-Q270 PolarHBondContact O-NE2 3.26Å
181P96.6Very high95.1Very high40 Ų4072.9 Ų72.926%0.2639%0.388SS..SBendtrans-78.2-7.7175.333.1-34.8000113.8F179 S267 V268 I276F179-P181 WeakPolarHBondContact O-CD 3.32Å; P181-S267 PolarHBondContact O-OG 3.1Å; P181-V268 PolarHBondContact O-N 2.96Å; P181-I276 HydrophobicContact CB-CD1 3.88Å; P181-I276 HydrophobicContact CB-CG1 4.08Å; P181-I276 HydrophobicContact CB-CG2 4.35Å; P181-I276 HydrophobicContact CG-CG2 4.08Å; P181-I276 WeakPolarHBondContact O-CD1 3.37Å
182V96.9Very high94.8Very high31 Ų3173.9 Ų73.919%0.18839%0.385CS..EExtended strand (participates in β ladder)trans-124.1140.4-173.5-640000111.9S180 C185 V265 E266 I276S180-V182 PolarHBondContact O-N 3.03Å; S180-V182 PolarHBondContact OG-N 3.48Å; S180-V182 PolarHBondContact OG-O 3.41Å; V182-C185 HydrophobicContact CB-CB 4.29Å; V182-C185 HydrophobicContact CG2-CB 3.87Å; V182-V265 HydrophobicContact CG1-CG1 3.74Å; V182-E266 CarbonylContact C-O 3.55Å; V182-E266 WeakPolarHBondContact CA-O 3.43Å; V182-E266 WeakPolarHBondContact CB-O 3.23Å; V182-I276 HydrophobicContact CG1-CD1 4.26Å; V182-I276 HydrophobicContact CG1-CG2 3.97Å
183A92.6Very high94.6Very high69 Ų6970.7 Ų70.757%0.5737%0.369SS*.EExtended strand (participates in β ladder)trans-87.9-49.2175.200000110.7E266 V268A183-E266 HydrophobicContact CB-CG 4.36Å; A183-E266 PolarHBondContact N-O 3.37Å; A183-V268 HydrophobicContact CB-CG1 3.96Å
184A92.9Very high94.5Very high29 Ų2973.4 Ų73.424%0.2437%0.37CS..EExtended strand (participates in β ladder)trans-126129.1173.400000109.4F186 V265 E266A184-F186 HydrophobicContact CB-CE1 4.39Å; A184-V265 CarbonylContact O-C 3.49Å; A184-V265 WeakPolarHBondContact O-CA 3.34Å; A184-E266 HydrophobicContact CB-CB 4.09Å; A184-E266 PolarHBondContact O-N 3.45Å
185C95.3Very high94.3Very high78 Ų7865.8 Ų65.853%0.52735%0.345SS..EExtended strand (participates in β ladder)trans-145.9109.2174.1-175.30000108.5V182 T264V182-C185 HydrophobicContact CB-CB 4.29Å; V182-C185 HydrophobicContact CG2-CB 3.87Å; C185-T264 WeakPolarHBondContact CA-O 3.22Å
186F96Very high94.1Very high103 Ų10366.5 Ų66.545%0.45235%0.345SS..EExtended strand (participates in β ladder)trans-149.4160178.659.8-87.1000109.7A184 T264A184-F186 HydrophobicContact CB-CE1 4.39Å; F186-T264 HydrophobicContact CE1-CG2 3.87Å; F186-T264 HydrophobicContact CE2-CG2 4.5Å; F186-T264 HydrophobicContact CZ-CG2 3.75Å; F186-T264 PolarHBondContact N-O 2.99Å; F186-T264 VanDerWaalsContact N-O 3.11Å; F186-T264 PolarHBondContact O-N 2.97Å
187Y94.8Very high94Very high133 Ų13366.4 Ų66.452%0.52234%0.34SS..EExtended strand (participates in β ladder)trans-127.2156.7171.970.2-92.4000110.2F189 L261 I262 F263Y187-F189 HydrophobicContact CE2-CZ 4.46Å; Y187-L261 HydrophobicContact CD2-CD2 3.37Å; Y187-L261 HydrophobicContact CE2-CD2 3.73Å; Y187-L261 HydrophobicContact CG-CD2 4.25Å; Y187-I262 CarbonylContact C-O 3.56Å; Y187-I262 WeakPolarHBondContact CA-O 3.31Å; Y187-F263 HydrophobicContact CD1-CE1 4.06Å; Y187-F263 HydrophobicContact CD1-CZ 4.19Å; Y187-F263 HydrophobicContact CG-CE1 4.23Å; Y187-F263 HydrophobicContact CG-CZ 4.15Å
188R92.7Very high93.8Very high74 Ų7466.5 Ų66.528%0.27933%0.33SS..EExtended strand (participates in β ladder)trans-137.8159.8165.666.4175.6-172.8-117.40.8109.5R234 M237 I262R188-R234 PolarHBondContact NH2-O 2.8Å; R188-M237 VanDerWaalsContact CZ-SD 3.58Å; R188-M237 PolarHBondContact NH1-SD 3.02Å; R188-I262 HydrophobicContact CG-CB 4.14Å; R188-I262 PolarHBondContact N-O 3.34Å; R188-I262 PolarHBondContact O-N 2.6Å
189F94.3Very high93.7Very high68 Ų6859.6 Ų59.630%0.29830%0.3SS..EExtended strand (participates in β ladder)trans-73.9148170.8-63.5-73.4000110.4Y187 P191 H257 M258 H260 L261Y187-F189 HydrophobicContact CE2-CZ 4.46Å; F189-P191 WeakPolarHBondContact O-CD 3.49Å; F189-H257 WeakPolarHBondContact CB-O 3.33Å; F189-H257 VanDerWaalsContact CD1-O 3.24Å; F189-H257 WeakPolarHBondContact CD1-O 3.34Å; F189-M258 HydrophobicContact CD1-SD 4.41Å; F189-M258 HydrophobicContact CD2-SD 4.4Å; F189-M258 VanDerWaalsContact CE1-O 3.31Å; F189-M258 WeakPolarHBondContact CE1-O 3.41Å; F189-M258 HydrophobicContact CE1-SD 4.14Å; F189-M258 HydrophobicContact CE2-SD 4.15Å; F189-M258 HydrophobicContact CZ-SD 4.01Å; F189-H260 CarbonylContact C-O 3.48Å; F189-H260 WeakPolarHBondContact CA-O 3.36Å; F189-L261 HydrophobicContact CD1-CD2 3.66Å; F189-L261 HydrophobicContact CD1-CG 4.33Å; F189-L261 HydrophobicContact CE1-CD2 3.47Å; F189-L261 VanDerWaalsContact CE1-CD2 3.47Å; F189-L261 HydrophobicContact CE1-CG 4.25Å; F189-L261 HydrophobicContact CG-CD2 4.48Å; F189-L261 HydrophobicContact CZ-CD2 4.15Å
190H93.2Very high93.6Very high34 Ų3459.8 Ų59.816%0.15730%0.299CS..EExtended strand (participates in β ladder)trans-66.5121.9171.6-167.6-68.9000108.2H257 H260 I262H190-H257 PolarHBondContact O-N 3.48Å; H190-H260 HydrophobicContact CB-CB 3.77Å; H190-H260 AromaticContact CD2-CE1 3.23Å; H190-H260 PolarHBondContact CD2-CE1 2.89Å; H190-H260 AromaticContact CD2-ND1 3.72Å; H190-H260 AromaticContact CD2-NE2 3.43Å; H190-H260 PolarHBondContact CD2-NE2 3.23Å; H190-H260 AromaticContact CG-CE1 3.66Å; H190-H260 AromaticContact CG-CG 3.98Å; H190-H260 AromaticContact CG-ND1 3.65Å; H190-H260 AromaticContact CG-NE2 3.96Å; H190-H260 PolarHBondContact N-O 3.24Å; H190-H260 AromaticContact NE2-CE1 3.98Å; H190-I262 HydrophobicContact CB-CD1 4.12Å; H190-I262 HydrophobicContact CB-CG1 4.32Å
191P92.5Very high93.5Very high2 Ų261 Ų611%0.01330%0.303CS..EExtended strand (participates in β ladder)trans-66.6146.1178.629.5-36.9000110.1F189 A233 E236 T255F189-P191 WeakPolarHBondContact O-CD 3.49Å; P191-A233 HydrophobicContact CG-CB 4.37Å; P191-A233 WeakPolarHBondContact CG-O 3.49Å; P191-A233 WeakPolarHBondContact O-CB 3.25Å; P191-E236 HydrophobicContact CB-CB 4.47Å; P191-E236 HydrophobicContact CG-CB 4.24Å; P191-T255 CarbonylContact C-O 3.59Å; P191-T255 WeakPolarHBondContact CA-O 3.45Å
192E91.1Very high93.3Very high49 Ų4966 Ų6623%0.22933%0.328CS..EExtended strand (participates in β ladder)trans-116.8120.5173.6-173.2-177.9-156.500107.2K194 V254 T255 H257E192-K194 HydrophobicContact CG-CG 4.37Å; E192-K194 WeakPolarHBondContact OE1-CE 3.42Å; E192-K194 IonicContact OE1-NZ 2.71Å; E192-K194 PolarHBondContact OE1-NZ 2.93Å; E192-K194 WeakPolarHBondContact OE2-CE 3.38Å; E192-K194 IonicContact OE2-NZ 3.3Å; E192-K194 PolarHBondContact OE2-NZ 2.78Å; E192-V254 CarbonylContact O-C 3.59Å; E192-V254 WeakPolarHBondContact O-CA 3.41Å; E192-T255 PolarHBondContact N-O 3.42Å; E192-T255 PolarHBondContact O-N 3.43Å; E192-T255 PolarHBondContact O-OG1 3.3Å; E192-T255 PolarHBondContact OE2-OG1 3.13Å; E192-T255 VanDerWaalsContact OE2-OG1 3.11Å; E192-H257 WeakPolarHBondContact CB-NE2 3.41Å; E192-H257 WeakPolarHBondContact CG-NE2 3.14Å; E192-H257 IonicContact OE1-CE1 3.95Å; E192-H257 PolarHBondContact OE1-CE1 3.2Å; E192-H257 VanDerWaalsContact OE1-CE1 3.3Å; E192-H257 IonicContact OE1-NE2 3.85Å; E192-H257 IonicContact OE2-CE1 2.97Å
193I91.6Very high93Very high18 Ų1867.1 Ų67.19%0.09233%0.331CS..EExtended strand (participates in β ladder)trans-110.8116.2179.9-55.3175.7000107.4V215 V230 A233 E236 V252 T253 V254I193-V215 HydrophobicContact CD1-CG1 3.25Å; I193-V230 HydrophobicContact CB-CG1 4.12Å; I193-V230 HydrophobicContact CB-CG2 3.89Å; I193-V230 HydrophobicContact CD1-CG1 4.23Å; I193-V230 HydrophobicContact CG2-CG2 3.74Å; I193-A233 HydrophobicContact CD1-CB 4.11Å; I193-A233 HydrophobicContact CG1-CB 4.21Å; I193-E236 HydrophobicContact CD1-CB 4.06Å; I193-E236 HydrophobicContact CD1-CG 4.23Å; I193-V252 HydrophobicContact CG2-CG1 3.98Å; I193-T253 WeakPolarHBondContact CA-O 3.42Å; I193-V254 HydrophobicContact CG1-CG1 4.44Å; I193-V254 HydrophobicContact CG1-CG2 4.31Å
194K92Very high93Very high93 Ų9363.9 Ų63.940%0.40430%0.304SS..EExtended strand (participates in β ladder)trans-107.6124.9175.5-64.1-173.6-175.1172.60109.7E192 V252 T253E192-K194 HydrophobicContact CG-CG 4.37Å; E192-K194 WeakPolarHBondContact OE1-CE 3.42Å; E192-K194 IonicContact OE1-NZ 2.71Å; E192-K194 PolarHBondContact OE1-NZ 2.93Å; E192-K194 WeakPolarHBondContact OE2-CE 3.38Å; E192-K194 IonicContact OE2-NZ 3.3Å; E192-K194 PolarHBondContact OE2-NZ 2.78Å; K194-V252 WeakPolarHBondContact O-CA 3.39Å; K194-T253 PolarHBondContact N-O 3.39Å; K194-T253 PolarHBondContact O-N 3.27Å
195L92.8Very high93Very high48 Ų4865.3 Ų65.325%0.25131%0.306SS..EExtended strand (participates in β ladder)trans-93.7112.2168.1-54.6-179.1000107.3R197 L207 A228 V230 V252L195-R197 VanDerWaalsContact C-N 3.25Å; L195-R197 PolarHBondContact O-N 2.88Å; L195-L207 HydrophobicContact CD2-CD2 3.92Å; L195-A228 HydrophobicContact CD1-CB 4.48Å; L195-A228 WeakPolarHBondContact CD1-O 3.16Å; L195-V230 HydrophobicContact CD1-CG2 4.38Å; L195-V230 HydrophobicContact CG-CG2 4.28Å; L195-V252 HydrophobicContact CD2-CB 4.41Å; L195-V252 HydrophobicContact CD2-CG1 4.14Å; L195-V252 HydrophobicContact CD2-CG2 3.74Å
196H92.8Very high92.8Very high118 Ų11864.2 Ų64.255%0.54629%0.294SS..SBendtrans-76.7-16.9-178.2-66.4-59.2000112.9A251 T253H196-A251 PolarHBondContact N-O 3.42Å; H196-T253 WeakPolarHBondContact NE2-CB 3.49Å; H196-T253 PolarHBondContact NE2-OG1 3.11Å
197R93.2Very high92.6Very high101 Ų10159.3 Ų59.338%0.38127%0.273SS..SBendtrans-141.7157172.965.3179.3178.8105-4.3110.1L195 L199 E203 E247 A251L195-R197 VanDerWaalsContact C-N 3.25Å; L195-R197 PolarHBondContact O-N 2.88Å; R197-L199 HydrophobicContact CG-CD2 4.14Å; R197-L199 VanDerWaalsContact CZ-CD2 3.47Å; R197-E203 IonicContact CZ-OE1 3.8Å; R197-E203 VanDerWaalsContact CZ-OE1 3.3Å; R197-E203 IonicContact CZ-OE2 3.92Å; R197-E203 VanDerWaalsContact NH1-CD 3.35Å; R197-E203 IonicContact NH1-OE1 2.99Å; R197-E203 PolarHBondContact NH1-OE1 3.17Å; R197-E203 IonicContact NH1-OE2 2.87Å; R197-E203 PolarHBondContact NH1-OE2 3.06Å; R197-E203 IonicContact NH2-OE1 2.93Å; R197-E203 PolarHBondContact NH2-OE1 3.46Å; R197-E203 IonicContact NH2-OE2 3.3Å; R197-E247 PolarHBondContact NH2-O 2.94Å; R197-A251 HydrophobicContact CG-CB 4Å
198D92.6Very high92.4Very high81 Ų8156.6 Ų56.643%0.43326%0.264SS..  trans-70130.9171-71.1-12.3000110.1Y200 K227D198-Y200 HydrophobicContact CB-CD2 4.29Å; D198-Y200 HydrophobicContact CB-CE2 3.41Å; D198-Y200 VanDerWaalsContact CB-CE2 3.41Å; D198-Y200 PolarHBondContact OD2-OH 3.3Å; D198-K227 WeakPolarHBondContact OD1-CE 3.35Å; D198-K227 IonicContact OD1-NZ 2.82Å; D198-K227 PolarHBondContact OD1-NZ 3.25Å; D198-K227 IonicContact OD2-NZ 2.91Å; D198-K227 PolarHBondContact OD2-NZ 3.18Å
199L92.1Very high92.3Very high0 Ų060.2 Ų60.20%028%0.284CS..  trans-112.4128.8177.6-61.3169.5000108.4R197 E203 L207 K227 A228 L248 A251 V252R197-L199 HydrophobicContact CG-CD2 4.14Å; R197-L199 VanDerWaalsContact CZ-CD2 3.47Å; L199-E203 HydrophobicContact CB-CB 4.18Å; L199-E203 HydrophobicContact CD2-CB 4.12Å; L199-L207 HydrophobicContact CD1-CD2 3.63Å; L199-K227 WeakPolarHBondContact O-CA 3.31Å; L199-A228 HydrophobicContact CB-CB 4.15Å; L199-A228 PolarHBondContact O-N 2.86Å; L199-L248 HydrophobicContact CD1-CD2 4.01Å; L199-L248 HydrophobicContact CD2-CD2 3.86Å; L199-A251 HydrophobicContact CD1-CB 4.38Å; L199-A251 HydrophobicContact CD2-CB 4.11Å; L199-V252 HydrophobicContact CD1-CG2 4.29Å
200Y94.3Very high92Very high52 Ų5259.4 Ų59.420%0.20428%0.282CS..BIsolated β-bridgetrans-120.9151.6-174.4-63.9-83.4000111.9D198 N202 E203 A204 R225 K226 K227D198-Y200 HydrophobicContact CB-CD2 4.29Å; D198-Y200 HydrophobicContact CB-CE2 3.41Å; D198-Y200 VanDerWaalsContact CB-CE2 3.41Å; D198-Y200 PolarHBondContact OD2-OH 3.3Å; Y200-N202 PolarHBondContact O-N 3.18Å; Y200-N202 VanDerWaalsContact O-N 3.1Å; Y200-E203 PolarHBondContact O-N 3.08Å; Y200-A204 PolarHBondContact O-N 3.15Å; Y200-R225 HydrophobicContact CD1-CB 3.93Å; Y200-K226 CarbonylContact C-O 3.46Å; Y200-K226 VanDerWaalsContact CA-O 3.26Å; Y200-K226 WeakPolarHBondContact CA-O 3.47Å; Y200-K227 HydrophobicContact CD1-CB 4.05Å; Y200-K227 HydrophobicContact CE1-CB 3.9Å; Y200-K227 HydrophobicContact CE1-CD 4.18Å; Y200-K227 HydrophobicContact CE1-CG 4.18Å
201D92.6Very high91.8Very high60 Ų6058.3 Ų58.332%0.32128%0.278SS..Hα-helixtrans47.8-109.6168.6-51.8-48.8000112.6E203 A204 E205 R225 K226D201-E203 VanDerWaalsContact C-N 3.35Å; D201-E203 PolarHBondContact O-N 3.37Å; D201-A204 WeakPolarHBondContact O-CB 3.48Å; D201-A204 PolarHBondContact O-N 3.25Å; D201-A204 VanDerWaalsContact O-N 3.09Å; D201-E205 WeakPolarHBondContact O-CG 3.17Å; D201-E205 PolarHBondContact O-N 3.3Å; D201-R225 WeakPolarHBondContact OD1-CA 3.33Å; D201-R225 WeakPolarHBondContact OD2-CG 3.4Å; D201-K226 PolarHBondContact N-O 2.83Å; D201-K226 PolarHBondContact OD1-N 3.27Å
202N92.7Very high91.6Very high144 Ų14459.9 Ų59.977%0.7729%0.289SS*.Hα-helixtrans-60.3-40.6-178-65.6-18.3000112.7Y200 A204 L206Y200-N202 PolarHBondContact O-N 3.18Å; Y200-N202 VanDerWaalsContact O-N 3.1Å; N202-A204 VanDerWaalsContact C-N 3.31Å; N202-L206 WeakPolarHBondContact O-CB 3.45Å; N202-L206 PolarHBondContact O-N 3Å
203E91.7Very high91.6Very high56 Ų5667.2 Ų67.226%0.26232%0.32SS..Hα-helixtrans-68-35.2176.8-66.4-171.9122.600111.1R197 L199 Y200 D201 L207 L248R197-E203 IonicContact CZ-OE1 3.8Å; R197-E203 VanDerWaalsContact CZ-OE1 3.3Å; R197-E203 IonicContact CZ-OE2 3.92Å; R197-E203 VanDerWaalsContact NH1-CD 3.35Å; R197-E203 IonicContact NH1-OE1 2.99Å; R197-E203 PolarHBondContact NH1-OE1 3.17Å; R197-E203 IonicContact NH1-OE2 2.87Å; R197-E203 PolarHBondContact NH1-OE2 3.06Å; R197-E203 IonicContact NH2-OE1 2.93Å; R197-E203 PolarHBondContact NH2-OE1 3.46Å; R197-E203 IonicContact NH2-OE2 3.3Å; L199-E203 HydrophobicContact CB-CB 4.18Å; L199-E203 HydrophobicContact CD2-CB 4.12Å; Y200-E203 PolarHBondContact O-N 3.08Å; D201-E203 VanDerWaalsContact C-N 3.35Å; D201-E203 PolarHBondContact O-N 3.37Å; E203-L207 WeakPolarHBondContact O-CB 3.45Å; E203-L207 PolarHBondContact O-N 2.9Å; E203-L248 HydrophobicContact CB-CD2 4.42Å
204A92.4Very high91.5Very high0 Ų067.6 Ų67.60%033%0.329CS..Hα-helixtrans-69.2-45.717900000112.1Y200 D201 N202 L207 K208 A228Y200-A204 PolarHBondContact O-N 3.15Å; D201-A204 WeakPolarHBondContact O-CB 3.48Å; D201-A204 PolarHBondContact O-N 3.25Å; D201-A204 VanDerWaalsContact O-N 3.09Å; N202-A204 VanDerWaalsContact C-N 3.31Å; A204-L207 PolarHBondContact O-N 3.03Å; A204-K208 WeakPolarHBondContact O-CB 3.23Å; A204-K208 PolarHBondContact O-N 3.33Å; A204-A228 HydrophobicContact CB-CB 3.74Å
205E92.7Very high91.6Very high59 Ų5963.2 Ų63.228%0.27631%0.309SS..Hα-helixtrans-66.8-41.5176.1-63-72.9-179.200110.4D201 L207 K208 E209 K226D201-E205 WeakPolarHBondContact O-CG 3.17Å; D201-E205 PolarHBondContact O-N 3.3Å; E205-L207 PolarHBondContact O-N 2.96Å; E205-K208 WeakPolarHBondContact O-CB 3.19Å; E205-K208 PolarHBondContact O-N 3.19Å; E205-K208 VanDerWaalsContact O-N 3.12Å; E205-E209 WeakPolarHBondContact O-CG 3.5Å; E205-E209 PolarHBondContact O-N 2.76Å; E205-K226 WeakPolarHBondContact OE1-CD 3.45Å; E205-K226 IonicContact OE1-NZ 3.94Å; E205-K226 PolarHBondContact OE1-NZ 3.05Å
206L91Very high91.6Very high55 Ų5561 Ų6129%0.28830%0.298SS..Hα-helixtrans-61.1-42.3176.2-177.166.7000112.2N202 K208 E209 N210 I245 L248N202-L206 WeakPolarHBondContact O-CB 3.45Å; N202-L206 PolarHBondContact O-N 3Å; L206-K208 VanDerWaalsContact C-N 3.35Å; L206-E209 PolarHBondContact O-N 2.77Å; L206-N210 PolarHBondContact O-N 3.09Å; L206-N210 PolarHBondContact O-ND2 3.29Å; L206-I245 HydrophobicContact CD1-CD1 4.42Å; L206-I245 HydrophobicContact CD2-CD1 4.35Å; L206-I245 HydrophobicContact CD2-CG2 4Å; L206-I245 HydrophobicContact CG-CD1 4.06Å; L206-L248 HydrophobicContact CD2-CD1 4.17Å; L206-L248 HydrophobicContact CG-CD1 4.21Å
207L91Very high91.7Very high1 Ų157.9 Ų57.91%0.00529%0.285CS..Hα-helixtrans-62.8-43.2174.1179.461.5000111.1L195 L199 E203 A204 E205 N210 M211 I216 A228 L248 V252L195-L207 HydrophobicContact CD2-CD2 3.92Å; L199-L207 HydrophobicContact CD1-CD2 3.63Å; E203-L207 WeakPolarHBondContact O-CB 3.45Å; E203-L207 PolarHBondContact O-N 2.9Å; A204-L207 PolarHBondContact O-N 3.03Å; E205-L207 PolarHBondContact O-N 2.96Å; L207-N210 PolarHBondContact O-N 3.28Å; L207-M211 HydrophobicContact CD1-CE 3.91Å; L207-M211 HydrophobicContact CD1-CG 3.85Å; L207-M211 HydrophobicContact CG-CG 4.34Å; L207-M211 WeakPolarHBondContact O-CB 3.3Å; L207-M211 VanDerWaalsContact O-CG 3.28Å; L207-M211 WeakPolarHBondContact O-CG 3.44Å; L207-M211 PolarHBondContact O-N 3Å; L207-M211 VanDerWaalsContact O-N 3.11Å; L207-I216 HydrophobicContact CD2-CD1 4.13Å; L207-I216 HydrophobicContact CD2-CG1 4.24Å; L207-I216 HydrophobicContact CD2-CG2 4.27Å; L207-I216 HydrophobicContact CG-CG1 4.14Å; L207-I216 HydrophobicContact CG-CG2 4.37Å; L207-A228 HydrophobicContact CD2-CB 4.21Å; L207-L248 HydrophobicContact CB-CD1 3.96Å; L207-L248 HydrophobicContact CD1-CD1 4.26Å; L207-V252 HydrophobicContact CD1-CG2 3.84Å; L207-V252 HydrophobicContact CD2-CG2 4.02Å
208K91.8Very high91.8Very high75 Ų7554.2 Ų54.233%0.32628%0.275SS..Hα-helixtrans-62.9-40.1179.1179.1168.6179.2160.90112.5A204 E205 L206 I216 D217A204-K208 WeakPolarHBondContact O-CB 3.23Å; A204-K208 PolarHBondContact O-N 3.33Å; E205-K208 WeakPolarHBondContact O-CB 3.19Å; E205-K208 PolarHBondContact O-N 3.19Å; E205-K208 VanDerWaalsContact O-N 3.12Å; L206-K208 VanDerWaalsContact C-N 3.35Å; K208-I216 HydrophobicContact CB-CB 4.38Å; K208-I216 HydrophobicContact CB-CG2 4.21Å; K208-I216 WeakPolarHBondContact CD-O 3.24Å; K208-I216 WeakPolarHBondContact CG-O 3.43Å; K208-D217 IonicContact NZ-OD1 3.27Å; K208-D217 PolarHBondContact NZ-OD1 3.42Å
209E89.9Confident91.8Very high151 Ų15153.6 Ų53.671%0.70627%0.274SS*.Hα-helixtrans-68-32.2177.7-74.4-179.8170.800113.4E205 L206E205-E209 WeakPolarHBondContact O-CG 3.5Å; E205-E209 PolarHBondContact O-N 2.76Å; L206-E209 PolarHBondContact O-N 2.77Å
210N88.8Confident91.8Very high50 Ų5058.4 Ų58.427%0.26731%0.305SS..Hα-helixtrans-93.8-9.8-176.1-75.1-92.5000113.9L206 L207 N241 I245L206-N210 PolarHBondContact O-N 3.09Å; L206-N210 PolarHBondContact O-ND2 3.29Å; L207-N210 PolarHBondContact O-N 3.28Å; N210-N241 WeakPolarHBondContact O-CB 3.43Å; N210-N241 PolarHBondContact O-ND2 3.26Å; N210-N241 VanDerWaalsContact O-ND2 3.11Å; N210-I245 HydrophobicContact CB-CD1 3.77Å; N210-I245 VanDerWaalsContact CG-CD1 3.49Å
211M88.3Confident91.5Very high11 Ų1157.9 Ų57.95%0.05431%0.308CS..SBendtrans-93.5164.7173.4-74.5-73.1171.400111.5L207 V215 I216 H242 V252 V254L207-M211 HydrophobicContact CD1-CE 3.91Å; L207-M211 HydrophobicContact CD1-CG 3.85Å; L207-M211 HydrophobicContact CG-CG 4.34Å; L207-M211 WeakPolarHBondContact O-CB 3.3Å; L207-M211 VanDerWaalsContact O-CG 3.28Å; L207-M211 WeakPolarHBondContact O-CG 3.44Å; L207-M211 PolarHBondContact O-N 3Å; L207-M211 VanDerWaalsContact O-N 3.11Å; M211-V215 HydrophobicContact CB-CB 4.39Å; M211-I216 HydrophobicContact CB-CG1 4.07Å; M211-I216 HydrophobicContact CG-CG1 3.96Å; M211-H242 HydrophobicContact CE-CB 3.49Å; M211-H242 VanDerWaalsContact CE-CB 3.49Å; M211-H242 WeakPolarHBondContact CE-ND1 3.23Å; M211-V252 HydrophobicContact CE-CG1 4.11Å; M211-V254 HydrophobicContact CE-CG2 4.41Å
212S89.1Confident91.2Very high35 Ų3564.8 Ų64.825%0.24534%0.339CS..PPolyproline II helixtrans-60.4141.7175.2-460000110.4G214 V215 E236S212-G214 PolarHBondContact O-N 3Å; S212-V215 VanDerWaalsContact O-CB 3.29Å; S212-V215 WeakPolarHBondContact O-CB 3.5Å; S212-V215 VanDerWaalsContact O-CG2 3.27Å; S212-V215 WeakPolarHBondContact O-CG2 3.39Å; S212-V215 PolarHBondContact O-N 2.84Å; S212-E236 PolarHBondContact OG-OE2 3.01Å
213K89.5Confident90.9Very high203 Ų20363.5 Ų63.588%0.88333%0.332SS*.THydrogen-bonded Turntrans-54126.9-176.3-174.8179.2-179.6178.80111.1V215K213-V215 VanDerWaalsContact C-N 3.34Å
214G91.1Very high90.7Very high27 Ų2764 Ų6428%0.27835%0.352SS..THydrogen-bonded Turntrans83.60.4178.700000115.1S212S212-G214 PolarHBondContact O-N 3Å
215V93Very high90.6Very high0 Ų068.6 Ų68.60%037%0.369CS..THydrogen-bonded Turntrans-71.2-45.2173174.50000110.9I193 M211 S212 K213 S231 N232 L235 E236I193-V215 HydrophobicContact CD1-CG1 3.25Å; M211-V215 HydrophobicContact CB-CB 4.39Å; S212-V215 VanDerWaalsContact O-CB 3.29Å; S212-V215 WeakPolarHBondContact O-CB 3.5Å; S212-V215 VanDerWaalsContact O-CG2 3.27Å; S212-V215 WeakPolarHBondContact O-CG2 3.39Å; S212-V215 PolarHBondContact O-N 2.84Å; K213-V215 VanDerWaalsContact C-N 3.34Å; V215-S231 PolarHBondContact O-N 3.4Å; V215-N232 PolarHBondContact O-N 3.28Å; V215-L235 HydrophobicContact CG2-CB 3.73Å; V215-E236 HydrophobicContact CG1-CB 4.22Å; V215-E236 HydrophobicContact CG2-CB 3.93Å
216I93.9Very high90.6Very high1 Ų170.3 Ų70.31%0.00538%0.376CS..EExtended strand (participates in β ladder)trans-115.7135.3-178.7-56.8-68.2000109.1L207 K208 M211 A228 V229 V230L207-I216 HydrophobicContact CD2-CD1 4.13Å; L207-I216 HydrophobicContact CD2-CG1 4.24Å; L207-I216 HydrophobicContact CD2-CG2 4.27Å; L207-I216 HydrophobicContact CG-CG1 4.14Å; L207-I216 HydrophobicContact CG-CG2 4.37Å; K208-I216 HydrophobicContact CB-CB 4.38Å; K208-I216 HydrophobicContact CB-CG2 4.21Å; K208-I216 WeakPolarHBondContact CD-O 3.24Å; K208-I216 WeakPolarHBondContact CG-O 3.43Å; M211-I216 HydrophobicContact CB-CG1 4.07Å; M211-I216 HydrophobicContact CG-CG1 3.96Å; I216-A228 HydrophobicContact CG2-CB 3.95Å; I216-V229 WeakPolarHBondContact CA-O 3.39Å; I216-V230 HydrophobicContact CD1-CG2 3.99Å
217D94.7Very high90.8Very high53 Ų5370.1 Ų70.128%0.28337%0.373SS..EExtended strand (participates in β ladder)trans-120152.9168.5-81.3-43.7000111.5K208 A228 V229 S231K208-D217 IonicContact NZ-OD1 3.27Å; K208-D217 PolarHBondContact NZ-OD1 3.42Å; D217-A228 WeakPolarHBondContact O-CA 3.34Å; D217-V229 HydrophobicContact CB-CG2 4.37Å; D217-V229 PolarHBondContact N-O 3.28Å; D217-V229 WeakPolarHBondContact O-CG2 3.23Å; D217-V229 PolarHBondContact O-N 2.82Å; D217-S231 WeakPolarHBondContact OD2-CB 3.4Å; D217-S231 PolarHBondContact OD2-OG 2.97Å
218C93.9Very high90.9Very high24 Ų2470.1 Ų70.116%0.16237%0.373CS..EExtended strand (participates in β ladder)trans-104.4103.3177.6-57.90000107.8K226 K227C218-K226 HydrophobicContact CB-CB 4.19Å; C218-K226 HydrophobicContact CB-CD 4.29Å; C218-K227 CarbonylContact C-O 3.58Å; C218-K227 WeakPolarHBondContact CA-O 3.41Å
219V93Very high91Very high69 Ų6969 Ų6942%0.41837%0.372SS..EExtended strand (participates in β ladder)trans-97.1134.3-177.5175.30000109.3C221 K226 K227 V229V219-C221 PolarHBondContact O-N 2.96Å; V219-K226 CarbonylContact O-C 3.47Å; V219-K226 WeakPolarHBondContact O-CA 3.27Å; V219-K227 PolarHBondContact N-O 3.2Å; V219-K227 PolarHBondContact O-N 3.03Å; V219-V229 HydrophobicContact CB-CG2 4.31Å; V219-V229 HydrophobicContact CG2-CG2 3.5Å
220P92.1Very high91.2Very high101 Ų10164.3 Ų64.366%0.65635%0.354SS*.EExtended strand (participates in β ladder)trans-67130.9174.927.9-33.8000110.8
221C89.1Confident91.5Very high40 Ų4065.1 Ų65.127%0.2736%0.363SS..PPolyproline II helixtrans-89.3164.3171.5-68.40000111.3V219 D223 G224 R225 K227V219-C221 PolarHBondContact O-N 2.96Å; C221-D223 PolarHBondContact O-N 3.26Å; C221-G224 PolarHBondContact O-N 3.22Å; C221-R225 PolarHBondContact N-O 2.85Å; C221-K227 WeakPolarHBondContact SG-CB 3.38Å
222E86.3Confident91.7Very high205 Ų20567.6 Ų67.696%0.95838%0.377SS*.THydrogen-bonded Turntrans-55.6-32.9174.8-63.5-179.3-179.500112.4G224E222-G224 PolarHBondContact O-N 3.43Å; E222-G224 VanDerWaalsContact O-N 3.17Å
223D85.5Confident91.8Very high117 Ų11766.6 Ų66.663%0.62637%0.371SS*.THydrogen-bonded Turntrans-69.3-3.3175.9-63.1-12.5000114.5C221 R225C221-D223 PolarHBondContact O-N 3.26Å; D223-R225 VanDerWaalsContact C-N 3.29Å; D223-R225 PolarHBondContact O-N 3.46Å; D223-R225 IonicContact OD2-CZ 2.7Å; D223-R225 IonicContact OD2-NH2 2.8Å; D223-R225 PolarHBondContact OD2-NH2 2.73Å
224G87.2Confident92Very high66 Ų6662 Ų6268%0.6835%0.348SS*.SBendtrans82.7-8.4-176.500000115.6C221 E222C221-G224 PolarHBondContact O-N 3.22Å; E222-G224 PolarHBondContact O-N 3.43Å; E222-G224 VanDerWaalsContact O-N 3.17Å
225R91.2Very high92Very high97 Ų9764.3 Ų64.337%0.36635%0.353SS..PPolyproline II helixtrans-77.8155.2173.7-66.7-177.8-71.5170.4-1.2111.9Y200 D201 C221 D223Y200-R225 HydrophobicContact CD1-CB 3.93Å; D201-R225 WeakPolarHBondContact OD1-CA 3.33Å; D201-R225 WeakPolarHBondContact OD2-CG 3.4Å; C221-R225 PolarHBondContact N-O 2.85Å; D223-R225 VanDerWaalsContact C-N 3.29Å; D223-R225 PolarHBondContact O-N 3.46Å; D223-R225 IonicContact OD2-CZ 2.7Å; D223-R225 IonicContact OD2-NH2 2.8Å; D223-R225 PolarHBondContact OD2-NH2 2.73Å
226K92.1Very high91.8Very high95 Ų9564.4 Ų64.441%0.41335%0.354SS..EExtended strand (participates in β ladder)trans-95121.5172.1-66.7179.8178.6175.40110.7Y200 D201 E205 C218 V219Y200-K226 CarbonylContact C-O 3.46Å; Y200-K226 VanDerWaalsContact CA-O 3.26Å; Y200-K226 WeakPolarHBondContact CA-O 3.47Å; D201-K226 PolarHBondContact N-O 2.83Å; D201-K226 PolarHBondContact OD1-N 3.27Å; E205-K226 WeakPolarHBondContact OE1-CD 3.45Å; E205-K226 IonicContact OE1-NZ 3.94Å; E205-K226 PolarHBondContact OE1-NZ 3.05Å; C218-K226 HydrophobicContact CB-CB 4.19Å; C218-K226 HydrophobicContact CB-CD 4.29Å; V219-K226 CarbonylContact O-C 3.47Å; V219-K226 WeakPolarHBondContact O-CA 3.27Å
227K95Very high91.3Very high52 Ų5269.3 Ų69.323%0.22638%0.378CS..EExtended strand (participates in β ladder)trans-100.4135.6178178.8173.2177.1166.80111.6D198 L199 Y200 C218 V219 C221 V229D198-K227 WeakPolarHBondContact OD1-CE 3.35Å; D198-K227 IonicContact OD1-NZ 2.82Å; D198-K227 PolarHBondContact OD1-NZ 3.25Å; D198-K227 IonicContact OD2-NZ 2.91Å; D198-K227 PolarHBondContact OD2-NZ 3.18Å; L199-K227 WeakPolarHBondContact O-CA 3.31Å; Y200-K227 HydrophobicContact CD1-CB 4.05Å; Y200-K227 HydrophobicContact CE1-CB 3.9Å; Y200-K227 HydrophobicContact CE1-CD 4.18Å; Y200-K227 HydrophobicContact CE1-CG 4.18Å; C218-K227 CarbonylContact C-O 3.58Å; C218-K227 WeakPolarHBondContact CA-O 3.41Å; V219-K227 PolarHBondContact N-O 3.2Å; V219-K227 PolarHBondContact O-N 3.03Å; C221-K227 WeakPolarHBondContact SG-CB 3.38Å; K227-V229 PolarHBondContact O-N 3.49Å
228A93.9Very high90.3Very high1 Ų170.5 Ų70.51%0.00839%0.39CS..EExtended strand (participates in β ladder)trans-69.6127.7169.900000110.6L195 L199 A204 L207 I216 D217L195-A228 HydrophobicContact CD1-CB 4.48Å; L195-A228 WeakPolarHBondContact CD1-O 3.16Å; L199-A228 HydrophobicContact CB-CB 4.15Å; L199-A228 PolarHBondContact O-N 2.86Å; A204-A228 HydrophobicContact CB-CB 3.74Å; L207-A228 HydrophobicContact CD2-CB 4.21Å; I216-A228 HydrophobicContact CG2-CB 3.95Å; D217-A228 WeakPolarHBondContact O-CA 3.34Å
229V94.6Very high89.4Confident50 Ų5071.5 Ų71.530%0.30340%0.397SS..EExtended strand (participates in β ladder)trans-128.8146172-630000109.5I216 D217 V219 K227 S231I216-V229 WeakPolarHBondContact CA-O 3.39Å; D217-V229 HydrophobicContact CB-CG2 4.37Å; D217-V229 PolarHBondContact N-O 3.28Å; D217-V229 WeakPolarHBondContact O-CG2 3.23Å; D217-V229 PolarHBondContact O-N 2.82Å; V219-V229 HydrophobicContact CB-CG2 4.31Å; V219-V229 HydrophobicContact CG2-CG2 3.5Å; K227-V229 PolarHBondContact O-N 3.49Å; V229-S231 PolarHBondContact O-N 3.11Å; V229-S231 VanDerWaalsContact O-N 3.15Å
230V93.6Very high88.5Confident53 Ų5369.3 Ų69.332%0.32139%0.388SS..EExtended strand (participates in β ladder)trans-73.4106.8172.4-176.40000107.9I193 L195 I216 A233I193-V230 HydrophobicContact CB-CG1 4.12Å; I193-V230 HydrophobicContact CB-CG2 3.89Å; I193-V230 HydrophobicContact CD1-CG1 4.23Å; I193-V230 HydrophobicContact CG2-CG2 3.74Å; L195-V230 HydrophobicContact CD1-CG2 4.38Å; L195-V230 HydrophobicContact CG-CG2 4.28Å; I216-V230 HydrophobicContact CD1-CG2 3.99Å; V230-A233 HydrophobicContact CG1-CB 4Å
231S93.7Very high88Confident67 Ų6767.2 Ų67.247%0.46937%0.371SS..SBendtrans-81.7-52.7-178.9-173.10000110.8V215 D217 V229V215-S231 PolarHBondContact O-N 3.4Å; D217-S231 WeakPolarHBondContact OD2-CB 3.4Å; D217-S231 PolarHBondContact OD2-OG 2.97Å; V229-S231 PolarHBondContact O-N 3.11Å; V229-S231 VanDerWaalsContact O-N 3.15Å
232N93.1Very high87.3Confident64 Ų6465.6 Ų65.634%0.34236%0.36SS..  trans-146.793178.9-169.9-8000112.3V215 R234 L235V215-N232 PolarHBondContact O-N 3.28Å; N232-R234 PolarHBondContact O-N 3.46Å; N232-R234 WeakPolarHBondContact OD1-CB 3.41Å; N232-R234 PolarHBondContact OD1-N 2.6Å; N232-R234 VanDerWaalsContact OD1-N 3.11Å; N232-L235 HydrophobicContact CB-CD1 4.14Å; N232-L235 HydrophobicContact CB-CG 4.32Å; N232-L235 PolarHBondContact O-N 3.26Å
233A92.4Very high87Confident14 Ų1462.6 Ų62.612%0.11634%0.344CS..G310 helixtrans-58.8-31.3177.800000112.6P191 I193 V230 L235 E236P191-A233 HydrophobicContact CG-CB 4.37Å; P191-A233 WeakPolarHBondContact CG-O 3.49Å; P191-A233 WeakPolarHBondContact O-CB 3.25Å; I193-A233 HydrophobicContact CD1-CB 4.11Å; I193-A233 HydrophobicContact CG1-CB 4.21Å; V230-A233 HydrophobicContact CG1-CB 4Å; A233-L235 PolarHBondContact O-N 3.35Å; A233-E236 WeakPolarHBondContact O-CB 3.31Å; A233-E236 PolarHBondContact O-N 2.82Å
234R93.1Very high87Confident107 Ų10766.5 Ų66.540%0.40435%0.35SS..G310 helixtrans-53.9-29.7-177.5-173-175.5172.783.70.8113.9R188 N232 E236 I262R188-R234 PolarHBondContact NH2-O 2.8Å; N232-R234 PolarHBondContact O-N 3.46Å; N232-R234 WeakPolarHBondContact OD1-CB 3.41Å; N232-R234 PolarHBondContact OD1-N 2.6Å; N232-R234 VanDerWaalsContact OD1-N 3.11Å; R234-E236 VanDerWaalsContact C-N 3.28Å; R234-I262 HydrophobicContact CG-CD1 3.91Å; R234-I262 VanDerWaalsContact NH2-CG2 3.29Å
235L91.4Very high86.8Confident75 Ų7564.3 Ų64.339%0.39332%0.322SS..G310 helixtrans-75.6-15.6-179.5-64177.6000113.1V215 N232 A233 M237V215-L235 HydrophobicContact CG2-CB 3.73Å; N232-L235 HydrophobicContact CB-CD1 4.14Å; N232-L235 HydrophobicContact CB-CG 4.32Å; N232-L235 PolarHBondContact O-N 3.26Å; A233-L235 PolarHBondContact O-N 3.35Å; L235-M237 WeakPolarHBondContact O-CE 3.17Å
236E87.9Confident86.5Confident1 Ų165.2 Ų65.21%0.00534%0.341CS..  trans-74.9128.5178.3-174.351.7-151.300110.7P191 I193 S212 V215 A233 R234 S239 V254P191-E236 HydrophobicContact CB-CB 4.47Å; P191-E236 HydrophobicContact CG-CB 4.24Å; I193-E236 HydrophobicContact CD1-CB 4.06Å; I193-E236 HydrophobicContact CD1-CG 4.23Å; S212-E236 PolarHBondContact OG-OE2 3.01Å; V215-E236 HydrophobicContact CG1-CB 4.22Å; V215-E236 HydrophobicContact CG2-CB 3.93Å; A233-E236 WeakPolarHBondContact O-CB 3.31Å; A233-E236 PolarHBondContact O-N 2.82Å; R234-E236 VanDerWaalsContact C-N 3.28Å; E236-S239 WeakPolarHBondContact OE1-CB 3.42Å; E236-S239 PolarHBondContact OE1-N 2.82Å; E236-S239 PolarHBondContact OE1-OG 3.4Å; E236-V254 HydrophobicContact CG-CG1 4.29Å
237M83.3Confident86.1Confident105 Ų10567.1 Ų67.152%0.51735%0.351SS..  trans-100.926.5-179.1-61.1-62.9128.200112.6R188 L235 S239R188-M237 VanDerWaalsContact CZ-SD 3.58Å; R188-M237 PolarHBondContact NH1-SD 3.02Å; L235-M237 WeakPolarHBondContact O-CE 3.17Å; M237-S239 VanDerWaalsContact C-N 3.3Å; M237-S239 PolarHBondContact O-N 3.02Å
238C73.9Confident85.6Confident78 Ų7864.7 Ų64.753%0.52734%0.341SS..  trans53.545.9-172-59.70000112.2G240C238-G240 PolarHBondContact O-N 3.07Å
239S74.1Confident85.1Confident45 Ų4566 Ų6632%0.31535%0.351SS..  trans-61.5-26.3-176.262.70000113.3E236 M237 N241E236-S239 WeakPolarHBondContact OE1-CB 3.42Å; E236-S239 PolarHBondContact OE1-N 2.82Å; E236-S239 PolarHBondContact OE1-OG 3.4Å; M237-S239 VanDerWaalsContact C-N 3.3Å; M237-S239 PolarHBondContact O-N 3.02Å; S239-N241 PolarHBondContact O-N 3.27Å; S239-N241 PolarHBondContact OG-N 2.72Å
240G75.6Confident84.8Confident23 Ų2372.1 Ų72.124%0.23738%0.377CS..  trans6512.1-173.100000113.3C238 H242 F243C238-G240 PolarHBondContact O-N 3.07Å; G240-H242 VanDerWaalsContact C-N 3.26Å; G240-H242 PolarHBondContact O-N 2.92Å; G240-F243 WeakPolarHBondContact O-CB 3.25Å; G240-F243 WeakPolarHBondContact O-CD2 3.12Å; G240-F243 PolarHBondContact O-N 2.85Å
241N80.6Confident84.6Confident57 Ų5769.8 Ų69.831%0.30536%0.363SS..G310 helixtrans-63-30-172.5-76.4-14.9000113.6N210 S239 F243 R244N210-N241 WeakPolarHBondContact O-CB 3.43Å; N210-N241 PolarHBondContact O-ND2 3.26Å; N210-N241 VanDerWaalsContact O-ND2 3.11Å; S239-N241 PolarHBondContact O-N 3.27Å; S239-N241 PolarHBondContact OG-N 2.72Å; N241-F243 PolarHBondContact O-N 3.05Å; N241-R244 VanDerWaalsContact O-CB 3.27Å; N241-R244 WeakPolarHBondContact O-CB 3.42Å; N241-R244 WeakPolarHBondContact O-CG 3.49Å; N241-R244 PolarHBondContact O-N 3.16Å
242H75.7Confident84.4Confident5 Ų566.7 Ų66.72%0.02334%0.341CS..G310 helixtrans-57.9-27.1174.555.1-69.6000113.5M211 G240 R244 I245 V252 V254M211-H242 HydrophobicContact CE-CB 3.49Å; M211-H242 VanDerWaalsContact CE-CB 3.49Å; M211-H242 WeakPolarHBondContact CE-ND1 3.23Å; G240-H242 VanDerWaalsContact C-N 3.26Å; G240-H242 PolarHBondContact O-N 2.92Å; H242-R244 PolarHBondContact O-N 2.99Å; H242-I245 PolarHBondContact O-N 3.41Å; H242-V252 HydrophobicContact CB-CB 4.34Å; H242-V252 PolarHBondContact CD2-O 3.05Å; H242-V254 WeakPolarHBondContact CE1-CG2 3.47Å
243F79.7Confident84.2Confident142 Ų14266 Ų6662%0.62334%0.339SS*.G310 helixtrans-66.9-20.9174.9-68.9-63.9000113.3G240 N241 I245G240-F243 WeakPolarHBondContact O-CB 3.25Å; G240-F243 WeakPolarHBondContact O-CD2 3.12Å; G240-F243 PolarHBondContact O-N 2.85Å; N241-F243 PolarHBondContact O-N 3.05Å; F243-I245 PolarHBondContact O-N 3.23Å
244R84.2Confident84.1Confident199 Ų19966.9 Ų66.975%0.75134%0.343SS*.G310 helixtrans-72.7-14.1-180-58.7175.864.5107.61.1112.5N241 H242N241-R244 VanDerWaalsContact O-CB 3.27Å; N241-R244 WeakPolarHBondContact O-CB 3.42Å; N241-R244 WeakPolarHBondContact O-CG 3.49Å; N241-R244 PolarHBondContact O-N 3.16Å; H242-R244 PolarHBondContact O-N 2.99Å
245I84.5Confident84Confident20 Ų2064.5 Ų64.510%0.10334%0.341CS..SBendtrans-112104.8-178.4-55.1165.8000107.8L206 N210 H242 F243 E247 L248 A249L206-I245 HydrophobicContact CD1-CD1 4.42Å; L206-I245 HydrophobicContact CD2-CD1 4.35Å; L206-I245 HydrophobicContact CD2-CG2 4Å; L206-I245 HydrophobicContact CG-CD1 4.06Å; N210-I245 HydrophobicContact CB-CD1 3.77Å; N210-I245 VanDerWaalsContact CG-CD1 3.49Å; H242-I245 PolarHBondContact O-N 3.41Å; F243-I245 PolarHBondContact O-N 3.23Å; I245-E247 HydrophobicContact CG2-CB 4.29Å; I245-E247 PolarHBondContact O-N 3.09Å; I245-E247 VanDerWaalsContact O-N 3.11Å; I245-L248 HydrophobicContact CB-CB 4.17Å; I245-L248 HydrophobicContact CB-CD1 4.45Å; I245-L248 HydrophobicContact CB-CG 4.39Å; I245-L248 HydrophobicContact CD1-CD1 3.8Å; I245-L248 HydrophobicContact CG2-CB 4.09Å; I245-L248 HydrophobicContact CG2-CD1 4.1Å; I245-L248 HydrophobicContact CG2-CG 3.86Å; I245-L248 PolarHBondContact O-N 3.26Å; I245-A249 PolarHBondContact O-N 3.12Å
246P84.4Confident83.9Confident116 Ų11662.9 Ų62.975%0.75334%0.336SS*.THydrogen-bonded Turntrans-53.7-35.4-177.5-28.235.6000113.8L248P246-L248 PolarHBondContact O-N 3.22Å
247E84.1Confident84Confident136 Ų13665.7 Ų65.764%0.63635%0.349SS*.THydrogen-bonded Turntrans-70.9-26.4-178.6-60.4176.5-179.100113.8R197 I245R197-E247 PolarHBondContact NH2-O 2.94Å; I245-E247 HydrophobicContact CG2-CB 4.29Å; I245-E247 PolarHBondContact O-N 3.09Å; I245-E247 VanDerWaalsContact O-N 3.11Å
248L84.6Confident84.2Confident1 Ų167.6 Ų67.61%0.00536%0.358CS..THydrogen-bonded Turntrans-105.2-15.2-178.4-60.6-178.3000113L199 E203 L206 L207 I245 P246 Q250 A251 V252L199-L248 HydrophobicContact CD1-CD2 4.01Å; L199-L248 HydrophobicContact CD2-CD2 3.86Å; E203-L248 HydrophobicContact CB-CD2 4.42Å; L206-L248 HydrophobicContact CD2-CD1 4.17Å; L206-L248 HydrophobicContact CG-CD1 4.21Å; L207-L248 HydrophobicContact CB-CD1 3.96Å; L207-L248 HydrophobicContact CD1-CD1 4.26Å; I245-L248 HydrophobicContact CB-CB 4.17Å; I245-L248 HydrophobicContact CB-CD1 4.45Å; I245-L248 HydrophobicContact CB-CG 4.39Å; I245-L248 HydrophobicContact CD1-CD1 3.8Å; I245-L248 HydrophobicContact CG2-CB 4.09Å; I245-L248 HydrophobicContact CG2-CD1 4.1Å; I245-L248 HydrophobicContact CG2-CG 3.86Å; I245-L248 PolarHBondContact O-N 3.26Å; P246-L248 PolarHBondContact O-N 3.22Å; L248-Q250 PolarHBondContact O-N 3.43Å; L248-Q250 VanDerWaalsContact O-N 3.17Å; L248-A251 PolarHBondContact O-N 3.02Å; L248-V252 PolarHBondContact O-N 3.28Å
249A82.9Confident85.2Confident28 Ų2870.6 Ų70.623%0.23137%0.369CS..THydrogen-bonded Turntrans-56.1-35.2-175.500000113.6I245I245-A249 PolarHBondContact O-N 3.12Å
250Q87.2Confident86.1Confident179 Ų17972.5 Ų72.584%0.83637%0.372SS*.THydrogen-bonded Turntrans-92.7-15.8175.5-64.7-174-0.700113.5L248L248-Q250 PolarHBondContact O-N 3.43Å; L248-Q250 VanDerWaalsContact O-N 3.17Å
251A89.4Confident87Confident3 Ų375.1 Ų75.13%0.02538%0.38CS..THydrogen-bonded Turntrans-80.5-24.5-177.300000112.6H196 R197 L199 L248H196-A251 PolarHBondContact N-O 3.42Å; R197-A251 HydrophobicContact CG-CB 4Å; L199-A251 HydrophobicContact CD1-CB 4.38Å; L199-A251 HydrophobicContact CD2-CB 4.11Å; L248-A251 PolarHBondContact O-N 3.02Å
252V90.1Very high87.5Confident2 Ų272.6 Ų72.61%0.01237%0.367CS..EExtended strand (participates in β ladder)trans-123.7131.5-174.3-173.30000110I193 K194 L195 L199 L207 M211 H242 L248 V254I193-V252 HydrophobicContact CG2-CG1 3.98Å; K194-V252 WeakPolarHBondContact O-CA 3.39Å; L195-V252 HydrophobicContact CD2-CB 4.41Å; L195-V252 HydrophobicContact CD2-CG1 4.14Å; L195-V252 HydrophobicContact CD2-CG2 3.74Å; L199-V252 HydrophobicContact CD1-CG2 4.29Å; L207-V252 HydrophobicContact CD1-CG2 3.84Å; L207-V252 HydrophobicContact CD2-CG2 4.02Å; M211-V252 HydrophobicContact CE-CG1 4.11Å; H242-V252 HydrophobicContact CB-CB 4.34Å; H242-V252 PolarHBondContact CD2-O 3.05Å; L248-V252 PolarHBondContact O-N 3.28Å; V252-V254 HydrophobicContact CG1-CG2 4.3Å
253T89.4Confident88.4Confident50 Ų5078.1 Ų78.131%0.30739%0.391SS..EExtended strand (participates in β ladder)trans-120.8126169.3-69.20000109.5I193 K194 H196 T255I193-T253 WeakPolarHBondContact CA-O 3.42Å; K194-T253 PolarHBondContact N-O 3.39Å; K194-T253 PolarHBondContact O-N 3.27Å; H196-T253 WeakPolarHBondContact NE2-CB 3.49Å; H196-T253 PolarHBondContact NE2-OG1 3.11Å; T253-T255 HydrophobicContact CG2-CG2 3.77Å
254V90.2Very high89.2Confident33 Ų3374 Ų7420%0.238%0.378CS..EExtended strand (participates in β ladder)trans-106.6107.9173.3-175.80000108E192 I193 M211 E236 H242 V252E192-V254 CarbonylContact O-C 3.59Å; E192-V254 WeakPolarHBondContact O-CA 3.41Å; I193-V254 HydrophobicContact CG1-CG1 4.44Å; I193-V254 HydrophobicContact CG1-CG2 4.31Å; M211-V254 HydrophobicContact CE-CG2 4.41Å; E236-V254 HydrophobicContact CG-CG1 4.29Å; H242-V254 WeakPolarHBondContact CE1-CG2 3.47Å; V252-V254 HydrophobicContact CG1-CG2 4.3Å
255T89.9Confident89.7Confident57 Ų5766.5 Ų66.535%0.3535%0.354SS..EExtended strand (participates in β ladder)trans-111.8-175.8173.343.90000109.9P191 E192 T253P191-T255 CarbonylContact C-O 3.59Å; P191-T255 WeakPolarHBondContact CA-O 3.45Å; E192-T255 PolarHBondContact N-O 3.42Å; E192-T255 PolarHBondContact O-N 3.43Å; E192-T255 PolarHBondContact O-OG1 3.3Å; E192-T255 PolarHBondContact OE2-OG1 3.13Å; E192-T255 VanDerWaalsContact OE2-OG1 3.11Å; T253-T255 HydrophobicContact CG2-CG2 3.77Å
256S90.8Very high90.3Very high41 Ų4170.9 Ų70.929%0.28737%0.374SS..EExtended strand (participates in β ladder)trans-131.3132.9178.3-750000109.7M258S256-M258 PolarHBondContact O-N 2.93Å
257H89.4Confident90.9Very high60 Ų6066.3 Ų66.328%0.27835%0.345SS..EExtended strand (participates in β ladder)trans-71.9111.5171.6-70.9-67.3000109.8F189 H190 E192 D259 H260F189-H257 WeakPolarHBondContact CB-O 3.33Å; F189-H257 VanDerWaalsContact CD1-O 3.24Å; F189-H257 WeakPolarHBondContact CD1-O 3.34Å; H190-H257 PolarHBondContact O-N 3.48Å; E192-H257 WeakPolarHBondContact CB-NE2 3.41Å; E192-H257 WeakPolarHBondContact CG-NE2 3.14Å; E192-H257 IonicContact OE1-CE1 3.95Å; E192-H257 PolarHBondContact OE1-CE1 3.2Å; E192-H257 VanDerWaalsContact OE1-CE1 3.3Å; E192-H257 IonicContact OE1-NE2 3.85Å; E192-H257 IonicContact OE2-CE1 2.97Å; H257-D259 PolarHBondContact O-N 3.11Å; H257-H260 HydrophobicContact CB-CB 3.78Å; H257-H260 PolarHBondContact O-N 2.83Å
258M88.2Confident91.4Very high144 Ų14462.4 Ų62.471%0.70933%0.33SS*.EExtended strand (participates in β ladder)trans-68.6-18.2-177.4-65.7-64.6-173.300113.5F189 S256F189-M258 HydrophobicContact CD1-SD 4.41Å; F189-M258 HydrophobicContact CD2-SD 4.4Å; F189-M258 VanDerWaalsContact CE1-O 3.31Å; F189-M258 WeakPolarHBondContact CE1-O 3.41Å; F189-M258 HydrophobicContact CE1-SD 4.14Å; F189-M258 HydrophobicContact CE2-SD 4.15Å; F189-M258 HydrophobicContact CZ-SD 4.01Å; S256-M258 PolarHBondContact O-N 2.93Å
259D93.7Very high91.8Very high142 Ų14264 Ų6476%0.75935%0.346SS*.EExtended strand (participates in β ladder)trans-98.3-7.4179.561.8-23.1000113.7H257H257-D259 PolarHBondContact O-N 3.11Å
260H94.1Very high92.2Very high84 Ų8467.6 Ų67.639%0.38936%0.358SS..EExtended strand (participates in β ladder)trans-114.5101.4-179.6-170.3162.5000110.3F189 H190 H257F189-H260 CarbonylContact C-O 3.48Å; F189-H260 WeakPolarHBondContact CA-O 3.36Å; H190-H260 HydrophobicContact CB-CB 3.77Å; H190-H260 AromaticContact CD2-CE1 3.23Å; H190-H260 PolarHBondContact CD2-CE1 2.89Å; H190-H260 AromaticContact CD2-ND1 3.72Å; H190-H260 AromaticContact CD2-NE2 3.43Å; H190-H260 PolarHBondContact CD2-NE2 3.23Å; H190-H260 AromaticContact CG-CE1 3.66Å; H190-H260 AromaticContact CG-CG 3.98Å; H190-H260 AromaticContact CG-ND1 3.65Å; H190-H260 AromaticContact CG-NE2 3.96Å; H190-H260 PolarHBondContact N-O 3.24Å; H190-H260 AromaticContact NE2-CE1 3.98Å; H257-H260 HydrophobicContact CB-CB 3.78Å; H257-H260 PolarHBondContact O-N 2.83Å
261L92.9Very high92.4Very high78 Ų7862 Ų6241%0.40833%0.333SS..EExtended strand (participates in β ladder)trans-99134.9-179.4-68.1157.1000111.6Y187 F189 F263Y187-L261 HydrophobicContact CD2-CD2 3.37Å; Y187-L261 HydrophobicContact CE2-CD2 3.73Å; Y187-L261 HydrophobicContact CG-CD2 4.25Å; F189-L261 HydrophobicContact CD1-CD2 3.66Å; F189-L261 HydrophobicContact CD1-CG 4.33Å; F189-L261 HydrophobicContact CE1-CD2 3.47Å; F189-L261 VanDerWaalsContact CE1-CD2 3.47Å; F189-L261 HydrophobicContact CE1-CG 4.25Å; F189-L261 HydrophobicContact CG-CD2 4.48Å; F189-L261 HydrophobicContact CZ-CD2 4.15Å; L261-F263 HydrophobicContact CB-CD2 4.25Å; L261-F263 HydrophobicContact CB-CE2 3.9Å; L261-F263 HydrophobicContact CD1-CE2 4.36Å
262I92.5Very high92.7Very high5 Ų570.3 Ų70.33%0.02637%0.369CS..EExtended strand (participates in β ladder)trans-107.4110.1172.2-57.1171.7000108Y187 R188 H190 R234Y187-I262 CarbonylContact C-O 3.56Å; Y187-I262 WeakPolarHBondContact CA-O 3.31Å; R188-I262 HydrophobicContact CG-CB 4.14Å; R188-I262 PolarHBondContact N-O 3.34Å; R188-I262 PolarHBondContact O-N 2.6Å; H190-I262 HydrophobicContact CB-CD1 4.12Å; H190-I262 HydrophobicContact CB-CG1 4.32Å; R234-I262 HydrophobicContact CG-CD1 3.91Å; R234-I262 VanDerWaalsContact NH2-CG2 3.29Å
263F95Very high93.1Very high121 Ų12172.7 Ų72.753%0.53138%0.383SS..EExtended strand (participates in β ladder)trans-91.5139.8172.5-79.2-97.1000111.5Y187 L261Y187-F263 HydrophobicContact CD1-CE1 4.06Å; Y187-F263 HydrophobicContact CD1-CZ 4.19Å; Y187-F263 HydrophobicContact CG-CE1 4.23Å; Y187-F263 HydrophobicContact CG-CZ 4.15Å; L261-F263 HydrophobicContact CB-CD2 4.25Å; L261-F263 HydrophobicContact CB-CE2 3.9Å; L261-F263 HydrophobicContact CD1-CE2 4.36Å
264T95.4Very high93.4Very high56 Ų5674 Ų7434%0.34440%0.399SS..EExtended strand (participates in β ladder)trans-119.8120.1165.7-56.80000107.4C185 F186C185-T264 WeakPolarHBondContact CA-O 3.22Å; F186-T264 HydrophobicContact CE1-CG2 3.87Å; F186-T264 HydrophobicContact CE2-CG2 4.5Å; F186-T264 HydrophobicContact CZ-CG2 3.75Å; F186-T264 PolarHBondContact N-O 2.99Å; F186-T264 VanDerWaalsContact N-O 3.11Å; F186-T264 PolarHBondContact O-N 2.97Å
265V95.8Very high93.7Very high40 Ų4078 Ų7824%0.24241%0.414CS..EExtended strand (participates in β ladder)trans-130.9123.7-178.6-173.80000109.2V182 A184 V273V182-V265 HydrophobicContact CG1-CG1 3.74Å; A184-V265 CarbonylContact O-C 3.49Å; A184-V265 WeakPolarHBondContact O-CA 3.34Å; V265-V273 HydrophobicContact CB-CG1 4.18Å; V265-V273 HydrophobicContact CG1-CG1 4.07Å
266E96.4Very high94Very high113 Ų11376.1 Ų76.153%0.52840%0.401SS..EExtended strand (participates in β ladder)trans-119.7128.9178.2-174.4178.2-176.100109.5V182 A183 A184V182-E266 CarbonylContact C-O 3.55Å; V182-E266 WeakPolarHBondContact CA-O 3.43Å; V182-E266 WeakPolarHBondContact CB-O 3.23Å; A183-E266 HydrophobicContact CB-CG 4.36Å; A183-E266 PolarHBondContact N-O 3.37Å; A184-E266 HydrophobicContact CB-CB 4.09Å; A184-E266 PolarHBondContact O-N 3.45Å
267S96.5Very high94.3Very high19 Ų1977.7 Ų77.713%0.13341%0.406CS..EExtended strand (participates in β ladder)trans-86.4147.7177.5-177.20000111.8P181 G269 M271 I276P181-S267 PolarHBondContact O-OG 3.1Å; S267-G269 PolarHBondContact O-N 2.99Å; S267-G269 PolarHBondContact OG-N 3.21Å; S267-M271 WeakPolarHBondContact CB-O 3.35Å; S267-M271 PolarHBondContact OG-O 3.36Å; S267-I276 WeakPolarHBondContact OG-CD1 3.49Å
268V94.6Very high94.7Very high55 Ų5577.4 Ų77.433%0.33341%0.414SS..  trans-73.22166.9-55.40000113.8Y148 P181 A183 Q270Y148-V268 WeakPolarHBondContact CE2-O 2.79Å; P181-V268 PolarHBondContact O-N 2.96Å; A183-V268 HydrophobicContact CB-CG1 3.96Å; V268-Q270 HydrophobicContact CG2-CB 4.47Å; V268-Q270 HydrophobicContact CG2-CG 3.77Å
269G92.8Very high95.1Very high33 Ų3375.1 Ų75.134%0.3440%0.401SS..SBendtrans98.2-17174.100000115.5S267 M271S267-G269 PolarHBondContact O-N 2.99Å; S267-G269 PolarHBondContact OG-N 3.21Å; G269-M271 PolarHBondContact O-N 2.87Å
270Q91.1Very high95.2Very high104 Ų10471 Ų7149%0.48639%0.387SS..SBendtrans-64-28.1178.464-175.7-52.300113.6S180 V268S180-Q270 PolarHBondContact O-NE2 3.26Å; V268-Q270 HydrophobicContact CG2-CB 4.47Å; V268-Q270 HydrophobicContact CG2-CG 3.77Å
271M92.8Very high95.4Very high61 Ų6173.3 Ų73.330%0.340%0.396SS..SBendtrans-141.9151.6178.3-69.4174.565.800110.1S267 G269 K275 I276 E279S267-M271 WeakPolarHBondContact CB-O 3.35Å; S267-M271 PolarHBondContact OG-O 3.36Å; G269-M271 PolarHBondContact O-N 2.87Å; M271-K275 HydrophobicContact CE-CB 4.17Å; M271-K275 HydrophobicContact CE-CD 3.53Å; M271-K275 HydrophobicContact CE-CG 3.56Å; M271-I276 HydrophobicContact CB-CD1 4.19Å; M271-I276 HydrophobicContact CB-CG1 3.85Å; M271-E279 HydrophobicContact CE-CG 4.15Å
272K95.7Very high95.6Very high179 Ų17974.9 Ų74.978%0.77840%0.402SS*.  trans-66.7141.1171.2-65.6-173.8177.5-175.50109.9A274 K275 I276K272-A274 VanDerWaalsContact C-N 3.28Å; K272-A274 PolarHBondContact O-N 3.01Å; K272-K275 WeakPolarHBondContact O-CA 3.42Å; K272-K275 WeakPolarHBondContact O-CB 3.49Å; K272-K275 PolarHBondContact O-N 3.24Å; K272-I276 PolarHBondContact O-N 3.11Å; K272-I276 VanDerWaalsContact O-N 3.16Å
273V96.9Very high95.9Very high52 Ų5278.3 Ų78.332%0.31542%0.423SS..Hα-helixtrans-51.5-45.2-179.6177.80000112.3V265 K275 I276 I277V265-V273 HydrophobicContact CB-CG1 4.18Å; V265-V273 HydrophobicContact CG1-CG1 4.07Å; V273-K275 PolarHBondContact O-N 3.1Å; V273-I276 WeakPolarHBondContact O-CB 3.44Å; V273-I276 PolarHBondContact O-N 3Å; V273-I277 HydrophobicContact CG1-CD1 3.91Å; V273-I277 HydrophobicContact CG1-CG1 4.4Å; V273-I277 WeakPolarHBondContact O-CG1 3.37Å; V273-I277 PolarHBondContact O-N 3.1Å
274A96.7Very high96Very high78 Ų7877.8 Ų77.865%0.64542%0.423SS*.Hα-helixtrans-57.2-37.1177.800000113.1K272 A278K272-A274 VanDerWaalsContact C-N 3.28Å; K272-A274 PolarHBondContact O-N 3.01Å; A274-A278 PolarHBondContact O-N 2.89Å; A274-A278 VanDerWaalsContact O-N 3.09Å
275K96.4Very high96.1Very high116 Ų11680.9 Ų80.950%0.50443%0.432SS..Hα-helixtrans-70.4-41176.3-169.8175.8176.1-175.90111.1M271 K272 V273 I277 A278 E279M271-K275 HydrophobicContact CE-CB 4.17Å; M271-K275 HydrophobicContact CE-CD 3.53Å; M271-K275 HydrophobicContact CE-CG 3.56Å; K272-K275 WeakPolarHBondContact O-CA 3.42Å; K272-K275 WeakPolarHBondContact O-CB 3.49Å; K272-K275 PolarHBondContact O-N 3.24Å; V273-K275 PolarHBondContact O-N 3.1Å; K275-I277 VanDerWaalsContact C-N 3.29Å; K275-I277 PolarHBondContact O-N 3Å; K275-A278 PolarHBondContact O-N 3.46Å; K275-E279 WeakPolarHBondContact CE-OE1 3.45Å; K275-E279 HydrophobicContact CG-CG 4.34Å; K275-E279 VanDerWaalsContact O-CG 3.23Å; K275-E279 WeakPolarHBondContact O-CG 3.37Å; K275-E279 PolarHBondContact O-N 3.15Å
276I97.1Very high96.1Very high18 Ų1883 Ų839%0.09244%0.444CS..Hα-helixtrans-58.3-44.6176.2-62.2168.3000110.5P181 V182 S267 M271 K272 V273 E279 A280P181-I276 HydrophobicContact CB-CD1 3.88Å; P181-I276 HydrophobicContact CB-CG1 4.08Å; P181-I276 HydrophobicContact CB-CG2 4.35Å; P181-I276 HydrophobicContact CG-CG2 4.08Å; P181-I276 WeakPolarHBondContact O-CD1 3.37Å; V182-I276 HydrophobicContact CG1-CD1 4.26Å; V182-I276 HydrophobicContact CG1-CG2 3.97Å; S267-I276 WeakPolarHBondContact OG-CD1 3.49Å; M271-I276 HydrophobicContact CB-CD1 4.19Å; M271-I276 HydrophobicContact CB-CG1 3.85Å; K272-I276 PolarHBondContact O-N 3.11Å; K272-I276 VanDerWaalsContact O-N 3.16Å; V273-I276 WeakPolarHBondContact O-CB 3.44Å; V273-I276 PolarHBondContact O-N 3Å; I276-E279 PolarHBondContact O-N 3.03Å; I276-A280 WeakPolarHBondContact O-CB 3.22Å; I276-A280 PolarHBondContact O-N 3.41Å
277I96.5Very high96.2Very high73 Ų7384.5 Ų84.537%0.37445%0.45SS..Hα-helixtrans-63.4-44.8178.2-65.7170.1000111V273 K275 A280 F281V273-I277 HydrophobicContact CG1-CD1 3.91Å; V273-I277 HydrophobicContact CG1-CG1 4.4Å; V273-I277 WeakPolarHBondContact O-CG1 3.37Å; V273-I277 PolarHBondContact O-N 3.1Å; K275-I277 VanDerWaalsContact C-N 3.29Å; K275-I277 PolarHBondContact O-N 3Å; I277-A280 WeakPolarHBondContact O-CB 2.93Å; I277-A280 PolarHBondContact O-N 3.14Å; I277-F281 HydrophobicContact CG2-CD2 3.88Å; I277-F281 HydrophobicContact CG2-CE2 3.69Å; I277-F281 WeakPolarHBondContact O-CD2 3.43Å; I277-F281 PolarHBondContact O-N 2.93Å; I277-F281 VanDerWaalsContact O-N 3.12Å
278A97.3Very high96.2Very high54 Ų5486.7 Ų86.745%0.44646%0.464SS..Hα-helixtrans-59.5-48177.400000112A274 K275 A280 F281 E282A274-A278 PolarHBondContact O-N 2.89Å; A274-A278 VanDerWaalsContact O-N 3.09Å; K275-A278 PolarHBondContact O-N 3.46Å; A278-A280 VanDerWaalsContact C-N 3.27Å; A278-A280 PolarHBondContact O-N 3.25Å; A278-F281 PolarHBondContact O-N 2.92Å; A278-E282 PolarHBondContact O-N 3.4Å; A278-E282 VanDerWaalsContact O-N 3.1Å
279E96.7Very high96.3Very high97 Ų9787.4 Ų87.445%0.45347%0.466SS..Hα-helixtrans-63-34.4177.2-61.1-74.3171.800111.9M271 K275 I276 E282 V283M271-E279 HydrophobicContact CE-CG 4.15Å; K275-E279 WeakPolarHBondContact CE-OE1 3.45Å; K275-E279 HydrophobicContact CG-CG 4.34Å; K275-E279 VanDerWaalsContact O-CG 3.23Å; K275-E279 WeakPolarHBondContact O-CG 3.37Å; K275-E279 PolarHBondContact O-N 3.15Å; I276-E279 PolarHBondContact O-N 3.03Å; E279-E282 PolarHBondContact O-N 2.98Å; E279-V283 WeakPolarHBondContact O-CG2 3.49Å; E279-V283 PolarHBondContact O-N 3.28Å
280A97Very high96.5Very high56 Ų5689.9 Ų89.946%0.46347%0.474SS..Hα-helixtrans-64.2-40.7176.300000112.2I276 I277 A278 V283 M284I276-A280 WeakPolarHBondContact O-CB 3.22Å; I276-A280 PolarHBondContact O-N 3.41Å; I277-A280 WeakPolarHBondContact O-CB 2.93Å; I277-A280 PolarHBondContact O-N 3.14Å; A278-A280 VanDerWaalsContact C-N 3.27Å; A278-A280 PolarHBondContact O-N 3.25Å; A280-V283 PolarHBondContact O-N 2.71Å; A280-M284 WeakPolarHBondContact O-CB 2.82Å; A280-M284 PolarHBondContact O-N 3.21Å
281F97.4Very high96.7Very high131 Ų13190 Ų9058%0.57548%0.478SS*.Hα-helixtrans-68.7-36.5175.1-80-65.8000112.6I277 A278 M284 K285I277-F281 HydrophobicContact CG2-CD2 3.88Å; I277-F281 HydrophobicContact CG2-CE2 3.69Å; I277-F281 WeakPolarHBondContact O-CD2 3.43Å; I277-F281 PolarHBondContact O-N 2.93Å; I277-F281 VanDerWaalsContact O-N 3.12Å; A278-F281 PolarHBondContact O-N 2.92Å; F281-M284 HydrophobicContact CD1-SD 4.33Å; F281-M284 HydrophobicContact CE1-SD 4.49Å; F281-M284 WeakPolarHBondContact O-CB 3.34Å; F281-M284 PolarHBondContact O-N 3.06Å; F281-K285 WeakPolarHBondContact O-CB 3.3Å; F281-K285 PolarHBondContact O-N 3.2Å
282E97.7Very high96.8Very high112 Ų11291.6 Ų91.652%0.52349%0.487SS..Hα-helixtrans-62.3-45.2173-69.7-58146.400111.5A278 E279 M284 K285 T286A278-E282 PolarHBondContact O-N 3.4Å; A278-E282 VanDerWaalsContact O-N 3.1Å; E279-E282 PolarHBondContact O-N 2.98Å; E282-M284 VanDerWaalsContact C-N 3.31Å; E282-M284 PolarHBondContact O-N 2.93Å; E282-K285 PolarHBondContact O-N 3.15Å; E282-T286 PolarHBondContact O-N 3.4Å; E282-T286 PolarHBondContact O-OG1 2.91Å
283V97.5Very high96.8Very high77 Ų7789.6 Ų89.647%0.46748%0.481SS..Hα-helixtrans-62.3-39.5174.6172.40000111.5E279 A280 K287E279-V283 WeakPolarHBondContact O-CG2 3.49Å; E279-V283 PolarHBondContact O-N 3.28Å; A280-V283 PolarHBondContact O-N 2.71Å; V283-K287 HydrophobicContact CG1-CD 4.46Å; V283-K287 WeakPolarHBondContact O-CG 3.36Å; V283-K287 PolarHBondContact O-N 3.26Å; V283-K287 VanDerWaalsContact O-N 3.15Å
284M97.7Very high96.6Very high110 Ų11090 Ų9054%0.54249%0.489SS..Hα-helixtrans-62.7-45.9176.4-176.4178.5-70.200111.2A280 F281 E282 K287 C288A280-M284 WeakPolarHBondContact O-CB 2.82Å; A280-M284 PolarHBondContact O-N 3.21Å; F281-M284 HydrophobicContact CD1-SD 4.33Å; F281-M284 HydrophobicContact CE1-SD 4.49Å; F281-M284 WeakPolarHBondContact O-CB 3.34Å; F281-M284 PolarHBondContact O-N 3.06Å; E282-M284 VanDerWaalsContact C-N 3.31Å; E282-M284 PolarHBondContact O-N 2.93Å; M284-K287 WeakPolarHBondContact O-CB 3.43Å; M284-K287 PolarHBondContact O-N 3.17Å; M284-C288 PolarHBondContact O-N 3.43Å; M284-C288 PolarHBondContact O-SG 3.46Å; M284-C288 VanDerWaalsContact O-SG 3.4Å
285K96.9Very high96.5Very high121 Ų12190.9 Ų90.953%0.52648%0.483SS..Hα-helixtrans-58-50.5177.1-179-177.8173.3-171.60111.5F281 E282 K287 C288 D289F281-K285 WeakPolarHBondContact O-CB 3.3Å; F281-K285 PolarHBondContact O-N 3.2Å; E282-K285 PolarHBondContact O-N 3.15Å; K285-K287 VanDerWaalsContact C-N 3.25Å; K285-K287 PolarHBondContact O-N 3Å; K285-C288 WeakPolarHBondContact O-CB 3.48Å; K285-C288 PolarHBondContact O-N 3.02Å; K285-D289 PolarHBondContact O-N 3.39Å
286T97.5Very high96.4Very high83 Ų8390.9 Ų90.951%0.50949%0.488SS..Hα-helixtrans-56.6-40.3177.2-54.20000112.1E282 D289 T290E282-T286 PolarHBondContact O-N 3.4Å; E282-T286 PolarHBondContact O-OG1 2.91Å; T286-D289 PolarHBondContact O-N 3.33Å; T286-T290 PolarHBondContact O-N 2.97Å; T286-T290 PolarHBondContact O-OG1 3.19Å
287K97.1Very high96Very high146 Ų14699 Ų9964%0.63552%0.523SS*.Hα-helixtrans-66.2-39.7176.6-73.3178.6178.4-175.50112.7V283 M284 K285 L291V283-K287 HydrophobicContact CG1-CD 4.46Å; V283-K287 WeakPolarHBondContact O-CG 3.36Å; V283-K287 PolarHBondContact O-N 3.26Å; V283-K287 VanDerWaalsContact O-N 3.15Å; M284-K287 WeakPolarHBondContact O-CB 3.43Å; M284-K287 PolarHBondContact O-N 3.17Å; K285-K287 VanDerWaalsContact C-N 3.25Å; K285-K287 PolarHBondContact O-N 3Å; K287-L291 WeakPolarHBondContact O-CB 3.32Å; K287-L291 PolarHBondContact O-N 2.96Å
288C97.6Very high95.2Very high64 Ų6499.7 Ų99.743%0.43254%0.539SS..Hα-helixtrans-63.5-42.8174.6-69.90000111.3M284 K285 L291 L292M284-C288 PolarHBondContact O-N 3.43Å; M284-C288 PolarHBondContact O-SG 3.46Å; M284-C288 VanDerWaalsContact O-SG 3.4Å; K285-C288 WeakPolarHBondContact O-CB 3.48Å; K285-C288 PolarHBondContact O-N 3.02Å; C288-L291 WeakPolarHBondContact O-CB 3.25Å; C288-L291 PolarHBondContact O-N 3.19Å; C288-L292 WeakPolarHBondContact O-CG 3.31Å; C288-L292 PolarHBondContact O-N 2.9Å
289D96.7Very high94.1Very high71 Ų71105 Ų10538%0.3857%0.567SS.*Hα-helixtrans-61.4-47177.5-64.5-26.5000110.9K285 T286 L291 L292 E293K285-D289 PolarHBondContact O-N 3.39Å; T286-D289 PolarHBondContact O-N 3.33Å; D289-L291 VanDerWaalsContact C-N 3.29Å; D289-L291 PolarHBondContact O-N 2.97Å; D289-L292 PolarHBondContact O-N 3.12Å; D289-E293 WeakPolarHBondContact O-CG 3.25Å; D289-E293 PolarHBondContact O-N 3.33Å
290T96.1Very high94Very high84 Ų84105.4 Ų105.452%0.51557%0.572SS.*Hα-helixtrans-59.3-38.8174.7-54.70000112.4T286 A294T286-T290 PolarHBondContact O-N 2.97Å; T286-T290 PolarHBondContact O-OG1 3.19Å; T290-A294 WeakPolarHBondContact O-CB 3.45Å; T290-A294 PolarHBondContact O-N 3.02Å; T290-A294 VanDerWaalsContact O-N 3.11Å
291L95.5Very high93.8Very high106 Ų106108 Ų10856%0.55558%0.578SS**Hα-helixtrans-67.1-42.617717963.2000111.7K287 C288 D289 A294 L295K287-L291 WeakPolarHBondContact O-CB 3.32Å; K287-L291 PolarHBondContact O-N 2.96Å; C288-L291 WeakPolarHBondContact O-CB 3.25Å; C288-L291 PolarHBondContact O-N 3.19Å; D289-L291 VanDerWaalsContact C-N 3.29Å; D289-L291 PolarHBondContact O-N 2.97Å; L291-A294 PolarHBondContact O-N 3.32Å; L291-L295 HydrophobicContact CD1-CD1 4.41Å; L291-L295 HydrophobicContact CD1-CG 4.43Å; L291-L295 HydrophobicContact CG-CD1 4.13Å; L291-L295 WeakPolarHBondContact O-CG 3.48Å; L291-L295 PolarHBondContact O-N 3.32Å
292L95.5Very high93.6Very high96 Ų96106.7 Ų106.750%0.50358%0.578SS.*Hα-helixtrans-63.3-42.8177.8-73.4170.3000111.7C288 D289 A294 L295 N296C288-L292 WeakPolarHBondContact O-CG 3.31Å; C288-L292 PolarHBondContact O-N 2.9Å; D289-L292 PolarHBondContact O-N 3.12Å; L292-A294 VanDerWaalsContact C-N 3.34Å; L292-A294 PolarHBondContact O-N 3.4Å; L292-L295 PolarHBondContact O-N 2.94Å; L292-N296 WeakPolarHBondContact O-CB 3.47Å; L292-N296 VanDerWaalsContact O-CG 3.28Å; L292-N296 PolarHBondContact O-N 3.44Å; L292-N296 PolarHBondContact O-ND2 3.34Å
293E95.1Very high93.4Very high137 Ų137106.4 Ų106.464%0.6458%0.582SS**Hα-helixtrans-59.9-44.4174.5-72.6174.8-178.700111.7D289 L295 N296 F297D289-E293 WeakPolarHBondContact O-CG 3.25Å; D289-E293 PolarHBondContact O-N 3.33Å; E293-L295 VanDerWaalsContact C-N 3.35Å; E293-L295 PolarHBondContact O-N 3.11Å; E293-N296 PolarHBondContact O-N 3.09Å; E293-F297 PolarHBondContact O-N 3.48Å; E293-F297 VanDerWaalsContact O-N 3.11Å
294A93.8Very high93.2Very high59 Ų59108.3 Ų108.349%0.48859%0.589SS.*Hα-helixtrans-64.7-37.5177.500000112.8T290 L291 L292 A298T290-A294 WeakPolarHBondContact O-CB 3.45Å; T290-A294 PolarHBondContact O-N 3.02Å; T290-A294 VanDerWaalsContact O-N 3.11Å; L291-A294 PolarHBondContact O-N 3.32Å; L292-A294 VanDerWaalsContact C-N 3.34Å; L292-A294 PolarHBondContact O-N 3.4Å; A294-A298 PolarHBondContact O-N 3.3Å
295L94.7Very high92.8Very high98 Ų98108.1 Ų108.151%0.51359%0.592SS.*Hα-helixtrans-68.2-43.5176.1-73.1169.9000111.7L291 L292 E293 F297 A298 T299L291-L295 HydrophobicContact CD1-CD1 4.41Å; L291-L295 HydrophobicContact CD1-CG 4.43Å; L291-L295 HydrophobicContact CG-CD1 4.13Å; L291-L295 WeakPolarHBondContact O-CG 3.48Å; L291-L295 PolarHBondContact O-N 3.32Å; L292-L295 PolarHBondContact O-N 2.94Å; E293-L295 VanDerWaalsContact C-N 3.35Å; E293-L295 PolarHBondContact O-N 3.11Å; L295-F297 PolarHBondContact O-N 3.49Å; L295-A298 PolarHBondContact O-N 3.42Å; L295-A298 VanDerWaalsContact O-N 3.09Å; L295-T299 PolarHBondContact O-N 3.34Å; L295-T299 PolarHBondContact O-OG1 3.11Å
296N93.2Very high92.6Very high115 Ų115107.2 Ų107.262%0.61560%0.597SS**Hα-helixtrans-65-27.7178.1-72.4-24.6000112.8L292 E293 T299L292-N296 WeakPolarHBondContact O-CB 3.47Å; L292-N296 VanDerWaalsContact O-CG 3.28Å; L292-N296 PolarHBondContact O-N 3.44Å; L292-N296 PolarHBondContact O-ND2 3.34Å; E293-N296 PolarHBondContact O-N 3.09Å; N296-T299 PolarHBondContact O-OG1 3.42Å
297F88.7Confident92.2Very high189 Ų189109.1 Ų109.183%0.82960%0.603SS**Hα-helixtrans-74.4-25.3174.1-178.2-95.9000113.1E293 L295E293-F297 PolarHBondContact O-N 3.48Å; E293-F297 VanDerWaalsContact O-N 3.11Å; L295-F297 PolarHBondContact O-N 3.49Å
298A80.5Confident91.8Very high87 Ų87106 Ų10672%0.71960%0.601SS**Hα-helixtrans-87-18.2-175.800000114.1A294 L295A294-A298 PolarHBondContact O-N 3.3Å; L295-A298 PolarHBondContact O-N 3.42Å; L295-A298 VanDerWaalsContact O-N 3.09Å
299T73.9Confident91.2Very high166 Ų166109.8 Ų109.8100%1.01862%0.616SS**  trans-93.50172.843.50000111.9L295 N296L295-T299 PolarHBondContact O-N 3.34Å; L295-T299 PolarHBondContact O-OG1 3.11Å; N296-T299 PolarHBondContact O-OG1 3.42Å

Retrieved 299 of 299 residues in 224.9 ms (Link to these results)