A0A096MYI4_PAPAN Loading...

Zinc finger protein 385D

AlphaFold DB (Q9H6B1), UniProt , Accession A0A096MYI4, Species PAPAN (Papio anubis, Olive baboon), Gene ZNF385D, Length 395 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
1M60.6Low53.3Low240 Ų240158.5 Ų158.5100%1.18284%0.842SS**  0150.10-82.347.8-179.600108.8
2R46Very low53.1Low237 Ų237162.1 Ų162.189%0.89485%0.851SS**  trans-97.5148.9176.2-67176.3171.7110.5-3.7109.5
3N60.7Low52.3Low161 Ų161157.8 Ų157.886%0.86184%0.843SS**  trans-152120.6143.8-107-26.5000109.7
4I51.9Low52.2Low134 Ų134154.9 Ų154.969%0.68784%0.836SS**  trans-130.8126.3177.4-84.6171000105Y6I4-Y6 HydrophobicContact CG2-CD2 3.7Å; I4-Y6 HydrophobicContact CG2-CE2 4.12Å
5M68Low52Low166 Ų166150.8 Ų150.882%0.81883%0.832SS**  trans-107.9100.9175.9-68.7-68.3-87.300108.8
6Y48.5Very low51.8Low208 Ų208151.8 Ų151.882%0.81684%0.835SS**  trans-82.7147.1163.8-99.4-99.8000109.4I4I4-Y6 HydrophobicContact CG2-CD2 3.7Å; I4-Y6 HydrophobicContact CG2-CE2 4.12Å
7F66.7Low51.6Low191 Ų191150.2 Ų150.284%0.83883%0.834SS**  trans-128.5117.3157.7-105.2-88000109.2
8G45Very low51.1Low69 Ų69146.4 Ų146.471%0.71183%0.825SS**  trans-81.517415300000110
9G43.2Very low50.8Low76 Ų76147.5 Ų147.578%0.78483%0.827SS**  cis117.996.43.800000111.6
10T54.4Low50.9Low144 Ų144147.2 Ų147.288%0.88383%0.829SS**  trans-138.8149.6169.548.10000109.7
11C40.9Very low50.7Low117 Ų117149.4 Ų149.479%0.79182%0.824SS**  trans-119.3154.3-177.6-580000110.3
12Q51.5Low50.3Low202 Ų202142.4 Ų142.494%0.94480%0.797SS**  trans-165.2151.4143.6-109.914710400112.6
13S42.5Very low50.4Low107 Ų107136.5 Ų136.575%0.74879%0.789SS**  trans-149.7150.8171.51750000106.4
14P51.2Low49.6Very low116 Ų116133.3 Ų133.375%0.75379%0.785SS**  -150.4162.912337.5-21.7000116.7
15A48.3Very low49.8Very low94 Ų94132.4 Ų132.478%0.77779%0.788SS**  trans67.3144.1143.200000122.8
16L49.7Very low49Very low167 Ų167130.6 Ų130.687%0.87479%0.788SS**  trans-102.4172.7161.4-56.9172.9000108.8
17P47.9Very low48.9Very low125 Ų125128 Ų12881%0.81279%0.788SS**  -155162.196.140.1-21.9000118.5
18A42.2Very low47.7Very low81 Ų81126.8 Ų126.867%0.66979%0.785SS**  trans57.1125.6136.600000125.2
19L46.6Very low47.6Very low168 Ų168128.6 Ų128.688%0.8878%0.784SS**  trans65.1155.1140.6-54.2168.7000117.8
20V52.1Low47.5Very low140 Ų140129.8 Ų129.885%0.84878%0.78SS**  cis-147.7172.533.7169.80000112.2
21R47.1Very low47.3Very low195 Ų195130.5 Ų130.574%0.73678%0.778SS**  trans-150.6160.4-176.6-173.763.4-165.9128.80.8109.1
22P52.4Low47.4Very low93 Ų93131.1 Ų131.160%0.60477%0.773SS**  cis-104-10612.936.8-18.1000114.5
23P48Very low47.6Very low112 Ų112128 Ų12873%0.72776%0.762SS**  cis-119.4-171.4-15.842.6-27.5000115
24A44Very low48.2Very low95 Ų95130.7 Ų130.779%0.78576%0.76SS**  trans-174.1177.9164.100000108.1
25P55.5Low48.1Very low114 Ų114131.1 Ų131.174%0.7476%0.762SS**  cis-114.9-151.9-1734.6-12.8000111.4
26P52.2Low48.1Very low128 Ų128135.4 Ų135.483%0.83176%0.764SS**  -147.3-147.18840.4-19.7000115.3
27L46.1Very low48.5Very low155 Ų155134.5 Ų134.581%0.81276%0.759SS**  trans-132.5147.7-153.1-67.9166.5000116.6
28Q40.7Very low48.9Very low165 Ų165134.1 Ų134.177%0.77176%0.757SS**  trans63.8173145.9-71.3-70.2-37.100118.8
29P43.6Very low48.9Very low106 Ų106139.8 Ų139.869%0.68877%0.767SS**  cis-132.1160.6-13.431.1-11000117.9
30S40.5Very low49.2Very low101 Ų101137.2 Ų137.271%0.70676%0.76SS**  trans60.3163.6143.9-147.30000123.9
31L50.7Low49.1Very low159 Ų159138.8 Ų138.883%0.83276%0.763SS**  trans67.9144.6174.2-49.8-177.1000117.7
32D42.8Very low48.9Very low130 Ų130134.5 Ų134.570%0.69575%0.754SS**  cis-156.9162.1-34-165.113.5000109.1
33I56.3Low49Very low138 Ų138136.1 Ų136.171%0.70876%0.763SS**  trans37.5110.3167.7-60.5149.6000117.7
34K53.7Low49.1Very low163 Ų163132 Ų13271%0.70974%0.738SS**  166.6122.1108.7-156.2158.4-167.9165.70111.5F36K34-F36 PolarHBondContact O-N 3.46Å
35P49.4Very low49.4Very low124 Ų124130.9 Ų130.981%0.80573%0.729SS**  trans-77.696.3179.830.8-33.9000111.6L37P35-L37 PolarHBondContact O-N 3.38Å
36F49.4Very low49.4Very low184 Ų184128.5 Ų128.581%0.80772%0.719SS**  trans-71.6124.1167.5-87.1-89.2000110.4K34K34-F36 PolarHBondContact O-N 3.46Å
37L57.5Low49.5Very low149 Ų149126.3 Ų126.378%0.7870%0.703SS**  trans-65.9132.9-173.6-62.5170.2000111.6P35 F39P35-L37 PolarHBondContact O-N 3.38Å; L37-F39 PolarHBondContact O-N 3.14Å
38P55.5Low49.9Very low116 Ų116124.2 Ų124.275%0.75369%0.693SS**  trans-70.3115.6167.229-31.7000108.9P40P38-P40 WeakPolarHBondContact O-CD 3.42Å; P38-P40 VanDerWaalsContact O-N 3.12Å
39F42.4Very low50.9Low201 Ų201122.3 Ų122.388%0.88269%0.687SS**  trans-51.1113.2-178-73.4-94.1000112.5L37 L41L37-F39 PolarHBondContact O-N 3.14Å; F39-L41 PolarHBondContact O-N 3.2Å; F39-L41 VanDerWaalsContact O-N 3.13Å
40P54.4Low51.7Low114 Ų114120.8 Ų120.874%0.7467%0.67SS**  trans-77.299.31650.218.8000106.8P38 D42P38-P40 WeakPolarHBondContact O-CD 3.42Å; P38-P40 VanDerWaalsContact O-N 3.12Å; P40-D42 HydrophobicContact CB-CB 4.45Å; P40-D42 PolarHBondContact O-N 3.44Å
41L48.7Very low53Low173 Ų173122.4 Ų122.491%0.90668%0.678SS**  trans-7557.5169.6-171.162.9000109.7F39F39-L41 PolarHBondContact O-N 3.2Å; F39-L41 VanDerWaalsContact O-N 3.13Å
42D44.2Very low53.8Low105 Ų105119.7 Ų119.756%0.56166%0.664SS**  trans-86.7119.6-171.7-163.1-17.7000110.8P40 A44P40-D42 HydrophobicContact CB-CB 4.45Å; P40-D42 PolarHBondContact O-N 3.44Å; D42-A44 PolarHBondContact O-N 3.15Å; D42-A44 WeakPolarHBondContact OD1-CB 3.23Å; D42-A44 PolarHBondContact OD1-N 3.41Å
43T52.9Low55Low126 Ų126116 Ų11677%0.77364%0.642SS**G310 helixtrans-73.2-5.9178-42.60000111.9A45T43-A45 VanDerWaalsContact C-N 3.27Å; T43-A45 PolarHBondContact O-N 3.14Å
44A49.9Very low55.7Low26 Ų26116.3 Ų116.322%0.21565%0.645CS.*G310 helixtrans-68.7-16.2174.700000114.6D42 A46 V47 N48D42-A44 PolarHBondContact O-N 3.15Å; D42-A44 WeakPolarHBondContact OD1-CB 3.23Å; D42-A44 PolarHBondContact OD1-N 3.41Å; A44-A46 VanDerWaalsContact C-N 3.28Å; A44-A46 PolarHBondContact O-N 3.48Å; A44-A46 VanDerWaalsContact O-N 3.12Å; A44-V47 WeakPolarHBondContact O-CA 3.34Å; A44-V47 PolarHBondContact O-N 3.38Å; A44-N48 PolarHBondContact O-N 3.07Å; A44-N48 PolarHBondContact O-ND2 3.15Å
45A52Low56.8Low72 Ų72112 Ų11260%0.59564%0.64SS**G310 helixtrans-53.7-37.9-17300000114.5T43T43-A45 VanDerWaalsContact C-N 3.27Å; T43-A45 PolarHBondContact O-N 3.14Å
46A54.4Low58.1Low64 Ų64108.6 Ų108.653%0.52961%0.614SS.*G310 helixtrans-78-19.3176.400000113.9A44A44-A46 VanDerWaalsContact C-N 3.28Å; A44-A46 PolarHBondContact O-N 3.48Å; A44-A46 VanDerWaalsContact O-N 3.12Å
47V55.6Low59.6Low82 Ų82103.6 Ų103.650%0.49760%0.596SS.*THydrogen-bonded Turntrans-91.8-28.6-179.2-156.20000111.1A44 L49 F50A44-V47 WeakPolarHBondContact O-CA 3.34Å; A44-V47 PolarHBondContact O-N 3.38Å; V47-L49 PolarHBondContact O-N 3.28Å; V47-F50 PolarHBondContact O-N 3.02Å
48N54.5Low60.9Low111 Ų111101.3 Ų101.359%0.59459%0.59SS**THydrogen-bonded Turntrans-70-8.5175.9-69.1-21.8000113.9A44 F50A44-N48 PolarHBondContact O-N 3.07Å; A44-N48 PolarHBondContact O-ND2 3.15Å; N48-F50 PolarHBondContact O-N 3.26Å
49L61.7Low62.1Low125 Ų125101.7 Ų101.765%0.65458%0.584SS**THydrogen-bonded Turntrans-62.7-18.5172.6-82.5163.5000113.6V47V47-L49 PolarHBondContact O-N 3.28Å
50F58.6Low63.9Low74 Ų7496.8 Ų96.833%0.32556%0.564SS.*SBendtrans-126.593.5174.5-64.6-76000110.1V47 N48 N52 F53 I64 F68V47-F50 PolarHBondContact O-N 3.02Å; N48-F50 PolarHBondContact O-N 3.26Å; F50-N52 PolarHBondContact O-N 3.36Å; F50-F53 HydrophobicContact CB-CB 4.21Å; F50-F53 PolarHBondContact O-N 2.9Å; F50-F53 VanDerWaalsContact O-N 3.08Å; F50-I64 HydrophobicContact CD2-CG2 4.41Å; F50-I64 HydrophobicContact CE2-CG2 4.15Å; F50-I64 HydrophobicContact CZ-CD1 4.48Å; F50-F68 HydrophobicContact CE2-CD2 4.39Å; F50-F68 HydrophobicContact CE2-CE2 4.13Å; F50-F68 HydrophobicContact CE2-CZ 4.42Å; F50-F68 AromaticContact CZ-CE2 3.92Å; F50-F68 HydrophobicContact CZ-CE2 3.92Å; F50-F68 HydrophobicContact CZ-CZ 4.07Å
51P68Low65.2Low134 Ų13493.6 Ų93.687%0.8754%0.538SS*.THydrogen-bonded Turntrans-55.2-15.1-176.4-29.336.1000115.8
52N68.9Low66.6Low102 Ų10288.1 Ų88.155%0.54552%0.518SS..THydrogen-bonded Turntrans-128.834.1178.6-157.10.3000114.2F50 N54 A55 M56F50-N52 PolarHBondContact O-N 3.36Å; N52-N54 PolarHBondContact O-N 2.86Å; N52-A55 PolarHBondContact O-N 3.25Å; N52-A55 VanDerWaalsContact O-N 3.08Å; N52-A55 WeakPolarHBondContact OD1-CB 3.41Å; N52-A55 PolarHBondContact OD1-N 3.43Å; N52-M56 WeakPolarHBondContact O-CG 3.36Å; N52-M56 PolarHBondContact O-N 2.86Å
53F68.3Low68.6Low52 Ų5287.1 Ų87.123%0.22852%0.516CS..THydrogen-bonded Turntrans-55.6-20175.7-172.5-102.6000113.8F50 K61 I64F50-F53 HydrophobicContact CB-CB 4.21Å; F50-F53 PolarHBondContact O-N 2.9Å; F50-F53 VanDerWaalsContact O-N 3.08Å; F53-K61 HydrophobicContact CE1-CD 4.46Å; F53-K61 HydrophobicContact CE2-CB 4.25Å; F53-K61 HydrophobicContact CE2-CG 4.1Å; F53-K61 HydrophobicContact CZ-CB 4.16Å; F53-K61 HydrophobicContact CZ-CD 4.35Å; F53-K61 HydrophobicContact CZ-CG 4.16Å; F53-K61 VanDerWaalsContact O-CE 3.24Å; F53-K61 WeakPolarHBondContact O-CE 3.32Å; F53-K61 PolarHBondContact O-NZ 3.27Å; F53-I64 HydrophobicContact CD2-CG2 4.42Å; F53-I64 HydrophobicContact CE2-CB 4.38Å; F53-I64 HydrophobicContact CE2-CG2 3.88Å
54N69.9Low69.7Low146 Ų14682.2 Ų82.278%0.78148%0.484SS*.THydrogen-bonded Turntrans-74.4-36.5175.3-81.9-51.2000114.1N52 K61N52-N54 PolarHBondContact O-N 2.86Å; N54-K61 VanDerWaalsContact C-NZ 3.34Å; N54-K61 PolarHBondContact O-NZ 3.31Å
55A77.8Confident70.9Confident73 Ų7385 Ų8560%0.60350%0.496SS*.THydrogen-bonded Turntrans-91.8-5.7-179.300000115.4N52N52-A55 PolarHBondContact O-N 3.25Å; N52-A55 VanDerWaalsContact O-N 3.08Å; N52-A55 WeakPolarHBondContact OD1-CB 3.41Å; N52-A55 PolarHBondContact OD1-N 3.43Å
56M76.8Confident72Confident51 Ų5189.3 Ų89.325%0.25150%0.503SS..SBendtrans-62.7155.4177.6-61.4-167.882.400113N52 Q60 K61 I64N52-M56 WeakPolarHBondContact O-CG 3.36Å; N52-M56 PolarHBondContact O-N 2.86Å; M56-Q60 HydrophobicContact CB-CB 4.41Å; M56-Q60 HydrophobicContact CE-CB 3.96Å; M56-Q60 HydrophobicContact CE-CG 4.47Å; M56-K61 HydrophobicContact CB-CG 4.09Å; M56-K61 WeakPolarHBondContact O-CE 3.43Å; M56-I64 HydrophobicContact CE-CD1 3.74Å; M56-I64 HydrophobicContact SD-CD1 3.59Å; M56-I64 VanDerWaalsContact SD-CD1 3.59Å
57D81Confident73.2Confident80 Ų8090.9 Ų90.943%0.42851%0.506SS..  trans-63.2141.8176-174.2-73.4000111.6I59 Q60 K61D57-I59 PolarHBondContact O-N 2.8Å; D57-I59 VanDerWaalsContact O-N 3.13Å; D57-I59 VanDerWaalsContact OD1-CB 3.24Å; D57-I59 WeakPolarHBondContact OD1-CB 3.32Å; D57-I59 WeakPolarHBondContact OD1-CG1 3.24Å; D57-I59 PolarHBondContact OD1-N 2.65Å; D57-Q60 HydrophobicContact CB-CB 4.35Å; D57-Q60 HydrophobicContact CB-CG 4.12Å; D57-Q60 WeakPolarHBondContact O-CA 3.42Å; D57-Q60 WeakPolarHBondContact O-CB 3.4Å; D57-Q60 PolarHBondContact O-N 3.04Å; D57-K61 WeakPolarHBondContact O-CG 3.49Å; D57-K61 PolarHBondContact O-N 3.47Å
58P82.8Confident73.9Confident101 Ų10192.7 Ų92.766%0.65651%0.508SS*.Hα-helixtrans-48.7-35.6174.5-29.736.6000115.3K61 A62P58-K61 PolarHBondContact O-N 2.85Å; P58-A62 WeakPolarHBondContact O-CB 3.34Å; P58-A62 PolarHBondContact O-N 3.06Å
59I82.2Confident74.1Confident123 Ų12389.8 Ų89.863%0.63150%0.504SS*.Hα-helixtrans-67.1-46.8175.4-58.7173.6000110.1D57 K61 A62 V63D57-I59 PolarHBondContact O-N 2.8Å; D57-I59 VanDerWaalsContact O-N 3.13Å; D57-I59 VanDerWaalsContact OD1-CB 3.24Å; D57-I59 WeakPolarHBondContact OD1-CB 3.32Å; D57-I59 WeakPolarHBondContact OD1-CG1 3.24Å; D57-I59 PolarHBondContact OD1-N 2.65Å; I59-K61 VanDerWaalsContact C-N 3.32Å; I59-K61 PolarHBondContact O-N 3.05Å; I59-A62 WeakPolarHBondContact O-CB 3.42Å; I59-A62 PolarHBondContact O-N 3.05Å; I59-A62 VanDerWaalsContact O-N 3.13Å; I59-V63 WeakPolarHBondContact O-CG2 3.46Å; I59-V63 PolarHBondContact O-N 3.07Å
60Q79.3Confident74.1Confident99 Ų9987 Ų8746%0.46349%0.492SS..Hα-helixtrans-62.3-40.3176-67.9177.9-34.200111.5M56 D57 A62 V63 I64M56-Q60 HydrophobicContact CB-CB 4.41Å; M56-Q60 HydrophobicContact CE-CB 3.96Å; M56-Q60 HydrophobicContact CE-CG 4.47Å; D57-Q60 HydrophobicContact CB-CB 4.35Å; D57-Q60 HydrophobicContact CB-CG 4.12Å; D57-Q60 WeakPolarHBondContact O-CA 3.42Å; D57-Q60 WeakPolarHBondContact O-CB 3.4Å; D57-Q60 PolarHBondContact O-N 3.04Å; Q60-A62 VanDerWaalsContact C-N 3.33Å; Q60-A62 PolarHBondContact O-N 3.2Å; Q60-V63 PolarHBondContact O-N 3.41Å; Q60-I64 WeakPolarHBondContact O-CB 3.39Å; Q60-I64 WeakPolarHBondContact O-CG1 3.46Å; Q60-I64 PolarHBondContact O-N 2.67Å
61K81.7Confident74Confident46 Ų4689 Ų8920%0.251%0.513CS..Hα-helixtrans-62.6-38.8173.4-61.5-172.6-157.5-144.50111.9F53 N54 M56 D57 P58 I59 N65F53-K61 HydrophobicContact CE1-CD 4.46Å; F53-K61 HydrophobicContact CE2-CB 4.25Å; F53-K61 HydrophobicContact CE2-CG 4.1Å; F53-K61 HydrophobicContact CZ-CB 4.16Å; F53-K61 HydrophobicContact CZ-CD 4.35Å; F53-K61 HydrophobicContact CZ-CG 4.16Å; F53-K61 VanDerWaalsContact O-CE 3.24Å; F53-K61 WeakPolarHBondContact O-CE 3.32Å; F53-K61 PolarHBondContact O-NZ 3.27Å; N54-K61 VanDerWaalsContact C-NZ 3.34Å; N54-K61 PolarHBondContact O-NZ 3.31Å; M56-K61 HydrophobicContact CB-CG 4.09Å; M56-K61 WeakPolarHBondContact O-CE 3.43Å; D57-K61 WeakPolarHBondContact O-CG 3.49Å; D57-K61 PolarHBondContact O-N 3.47Å; P58-K61 PolarHBondContact O-N 2.85Å; I59-K61 VanDerWaalsContact C-N 3.32Å; I59-K61 PolarHBondContact O-N 3.05Å; K61-N65 VanDerWaalsContact O-CB 3.29Å; K61-N65 WeakPolarHBondContact O-CB 3.3Å; K61-N65 PolarHBondContact O-N 2.91Å; K61-N65 PolarHBondContact O-ND2 2.9Å; K61-N65 VanDerWaalsContact O-ND2 3.08Å
62A78.9Confident73.6Confident58 Ų5888.6 Ų88.648%0.47950%0.502SS..Hα-helixtrans-65.3-44.717600000111.8P58 I59 Q60 N65 H66P58-A62 WeakPolarHBondContact O-CB 3.34Å; P58-A62 PolarHBondContact O-N 3.06Å; I59-A62 WeakPolarHBondContact O-CB 3.42Å; I59-A62 PolarHBondContact O-N 3.05Å; I59-A62 VanDerWaalsContact O-N 3.13Å; Q60-A62 VanDerWaalsContact C-N 3.33Å; Q60-A62 PolarHBondContact O-N 3.2Å; A62-N65 PolarHBondContact O-N 2.69Å; A62-H66 WeakPolarHBondContact O-CB 3.29Å; A62-H66 PolarHBondContact O-N 2.91Å
63V85Confident73Confident85 Ų8588.8 Ų88.852%0.51551%0.509SS..Hα-helixtrans-62-45.7174.9173.50000111.2I59 Q60 H66 T67I59-V63 WeakPolarHBondContact O-CG2 3.46Å; I59-V63 PolarHBondContact O-N 3.07Å; Q60-V63 PolarHBondContact O-N 3.41Å; V63-H66 PolarHBondContact O-N 3.22Å; V63-T67 WeakPolarHBondContact O-CB 3.47Å; V63-T67 PolarHBondContact O-N 3.4Å; V63-T67 PolarHBondContact O-OG1 2.85Å; V63-T67 VanDerWaalsContact O-OG1 3.14Å
64I77.2Confident72.3Confident22 Ų2295.1 Ų95.111%0.11354%0.539CS..Hα-helixtrans-62.7-45.5177.7-72.7168.9000111.1F50 F53 M56 Q60 H66 T67 F68F50-I64 HydrophobicContact CD2-CG2 4.41Å; F50-I64 HydrophobicContact CE2-CG2 4.15Å; F50-I64 HydrophobicContact CZ-CD1 4.48Å; F53-I64 HydrophobicContact CD2-CG2 4.42Å; F53-I64 HydrophobicContact CE2-CB 4.38Å; F53-I64 HydrophobicContact CE2-CG2 3.88Å; M56-I64 HydrophobicContact CE-CD1 3.74Å; M56-I64 HydrophobicContact SD-CD1 3.59Å; M56-I64 VanDerWaalsContact SD-CD1 3.59Å; Q60-I64 WeakPolarHBondContact O-CB 3.39Å; Q60-I64 WeakPolarHBondContact O-CG1 3.46Å; Q60-I64 PolarHBondContact O-N 2.67Å; I64-H66 VanDerWaalsContact C-N 3.29Å; I64-H66 PolarHBondContact O-N 3.42Å; I64-T67 PolarHBondContact O-N 3.01Å; I64-F68 HydrophobicContact CB-CD2 4.36Å; I64-F68 HydrophobicContact CG1-CE2 4.49Å; I64-F68 HydrophobicContact CG2-CD2 3.89Å; I64-F68 WeakPolarHBondContact O-CB 3.45Å; I64-F68 WeakPolarHBondContact O-CD2 3.33Å; I64-F68 PolarHBondContact O-N 3.44Å
65N74.9Confident71.4Confident86 Ų8698.1 Ų98.146%0.4654%0.539SS..Hα-helixtrans-61.9-35.3176.5-74.5-30.2000112.7K61 A62 G69K61-N65 VanDerWaalsContact O-CB 3.29Å; K61-N65 WeakPolarHBondContact O-CB 3.3Å; K61-N65 PolarHBondContact O-N 2.91Å; K61-N65 PolarHBondContact O-ND2 2.9Å; K61-N65 VanDerWaalsContact O-ND2 3.08Å; A62-N65 PolarHBondContact O-N 2.69Å; N65-G69 PolarHBondContact O-N 3.33Å
66H74.7Confident70.3Confident162 Ų162106 Ų10675%0.7555%0.554SS**Hα-helixtrans-74.3-46.2177.9-174.1-85.7000112.2A62 V63 I64A62-H66 WeakPolarHBondContact O-CB 3.29Å; A62-H66 PolarHBondContact O-N 2.91Å; V63-H66 PolarHBondContact O-N 3.22Å; I64-H66 VanDerWaalsContact C-N 3.29Å; I64-H66 PolarHBondContact O-N 3.42Å
67T79.3Confident69.7Low96 Ų96110.1 Ų110.159%0.58957%0.57SS**Hα-helixtrans-75.6-42.9-175.3-630000113V63 I64 G69V63-T67 WeakPolarHBondContact O-CB 3.47Å; V63-T67 PolarHBondContact O-N 3.4Å; V63-T67 PolarHBondContact O-OG1 2.85Å; V63-T67 VanDerWaalsContact O-OG1 3.14Å; I64-T67 PolarHBondContact O-N 3.01Å; T67-G69 VanDerWaalsContact C-N 3.31Å
68F69.7Low69Low121 Ų121114.3 Ų114.353%0.53159%0.587SS.*SBendtrans-88.10.3-179.4-65.8-82000113.4F50 I64 V70F50-F68 HydrophobicContact CE2-CD2 4.39Å; F50-F68 HydrophobicContact CE2-CE2 4.13Å; F50-F68 HydrophobicContact CE2-CZ 4.42Å; F50-F68 AromaticContact CZ-CE2 3.92Å; F50-F68 HydrophobicContact CZ-CE2 3.92Å; F50-F68 HydrophobicContact CZ-CZ 4.07Å; I64-F68 HydrophobicContact CB-CD2 4.36Å; I64-F68 HydrophobicContact CG1-CE2 4.49Å; I64-F68 HydrophobicContact CG2-CD2 3.89Å; I64-F68 WeakPolarHBondContact O-CB 3.45Å; I64-F68 WeakPolarHBondContact O-CD2 3.33Å; I64-F68 PolarHBondContact O-N 3.44Å; F68-V70 HydrophobicContact CB-CG2 4.5Å; F68-V70 PolarHBondContact O-N 2.89Å
69G59.3Low68.7Low49 Ų49114.4 Ų114.451%0.50558%0.581SS.*  trans56.825.4163.200000115.8N65 T67 P71N65-G69 PolarHBondContact O-N 3.33Å; T67-G69 VanDerWaalsContact C-N 3.31Å; G69-P71 WeakPolarHBondContact O-CD 3.4Å
70V61.1Low68.9Low67 Ų67110.6 Ų110.641%0.40656%0.561SS.*  trans-54.3113.4-170-178.90000109.8F68 L72F68-V70 HydrophobicContact CB-CG2 4.5Å; F68-V70 PolarHBondContact O-N 2.89Å; V70-L72 PolarHBondContact O-N 3.26Å
71P57.7Low69.5Low117 Ų117107.6 Ų107.676%0.7655%0.551SS**  trans-65.4107.2-179.1-21.133.5000109G69 P73G69-P71 WeakPolarHBondContact O-CD 3.4Å; P71-P73 VanDerWaalsContact O-CD 3.24Å; P71-P73 WeakPolarHBondContact O-CD 3.49Å
72L58.2Low70.1Confident124 Ų124105.4 Ų105.465%0.64954%0.542SS*.  trans-53.1114.2177-98.771.7000108.3V70 H74V70-L72 PolarHBondContact O-N 3.26Å; L72-H74 PolarHBondContact O-N 3.41Å
73P56.7Low70.8Confident107 Ų107109.3 Ų109.370%0.69556%0.555SS**  trans-61.9115.2-177.223.4-32.5000107.8P71 R75P71-P73 VanDerWaalsContact O-CD 3.24Å; P71-P73 WeakPolarHBondContact O-CD 3.49Å; P73-R75 WeakPolarHBondContact O-CA 3.48Å; P73-R75 PolarHBondContact O-N 3.17Å
74H54.3Low71.2Confident185 Ų185107.4 Ų107.486%0.85654%0.541SS*.  trans-40.9107.4-168.9-77.9-88000110.6L72 R76L72-H74 PolarHBondContact O-N 3.41Å; H74-R76 PolarHBondContact O-N 2.95Å
75R51.4Low71.9Confident208 Ų208107.6 Ų107.679%0.78554%0.544SS*.  trans-44.797.1-161-72.1-80.1-169.2165.61.1111.1P73 K77P73-R75 WeakPolarHBondContact O-CA 3.48Å; P73-R75 PolarHBondContact O-N 3.17Å; R75-K77 VanDerWaalsContact C-N 3.28Å; R75-K77 PolarHBondContact O-N 2.91Å
76R54.5Low72.7Confident240 Ų240111.8 Ų111.891%0.90656%0.561SS**  trans-63.695.2169.4-82.1-174.6172.4134-2.6106.3H74 Q78H74-R76 PolarHBondContact O-N 2.95Å; R76-Q78 PolarHBondContact O-N 3.4Å
77K62.8Low73.5Confident136 Ų136108 Ų10859%0.59155%0.546SS*.  trans-55.2114.9-177-63.4-179.7-178.9-179.30107.7R75 I79 N90R75-K77 VanDerWaalsContact C-N 3.28Å; R75-K77 PolarHBondContact O-N 2.91Å; K77-I79 WeakPolarHBondContact O-CG1 3.47Å; K77-I79 PolarHBondContact O-N 3.05Å; K77-N90 WeakPolarHBondContact CD-OD1 3.16Å
78Q67.5Low74.2Confident168 Ų168112.2 Ų112.279%0.78555%0.551SS**  trans-63.1110177-71.4174.1-20.400107.2R76 I80R76-Q78 PolarHBondContact O-N 3.4Å; Q78-I80 PolarHBondContact O-N 3.06Å
79I75.8Confident75.3Confident103 Ų103107.4 Ų107.453%0.52853%0.53SS..  trans-7881.2-176.9-55.3-178.4000107.8K77 S81 R88K77-I79 WeakPolarHBondContact O-CG1 3.47Å; K77-I79 PolarHBondContact O-N 3.05Å; I79-S81 PolarHBondContact O-N 3.33Å; I79-R88 HydrophobicContact CG2-CB 3.84Å; I79-R88 HydrophobicContact CG2-CG 4.43Å
80I86.6Confident76.8Confident43 Ų43109.7 Ų109.722%0.22153%0.531CS..  trans-63.3128.5178-63.2154.7000108Q78 F89 D92 A95 Y99Q78-I80 PolarHBondContact O-N 3.06Å; I80-F89 WeakPolarHBondContact O-CD2 3.49Å; I80-F89 PolarHBondContact O-N 2.97Å; I80-D92 HydrophobicContact CD1-CB 3.85Å; I80-D92 VanDerWaalsContact CD1-OD2 3.24Å; I80-D92 WeakPolarHBondContact CD1-OD2 3.44Å; I80-A95 HydrophobicContact CB-CB 3.97Å; I80-A95 HydrophobicContact CD1-CB 4.49Å; I80-A95 HydrophobicContact CG2-CB 3.48Å; I80-A95 VanDerWaalsContact CG2-CB 3.48Å; I80-Y99 HydrophobicContact CG2-CE2 4.2Å
81S92.9Very high78.2Confident36 Ų36108.8 Ų108.825%0.25253%0.527SS..EExtended strand (participates in β ladder)trans-131.1132.1-17664.30000112.7I79 N83 L87 Y99I79-S81 PolarHBondContact O-N 3.33Å; S81-N83 PolarHBondContact O-N 3.1Å; S81-L87 CarbonylContact C-O 3.56Å; S81-L87 VanDerWaalsContact CA-O 3.28Å; S81-L87 WeakPolarHBondContact CA-O 3.5Å; S81-Y99 PolarHBondContact O-OH 2.86Å
82C94.6Very high79.9Confident1 Ų1108.2 Ų108.21%0.00752%0.518CS..EExtended strand (participates in β ladder)trans-86.3110.6-179169.60000110.7I84 C85 Q86 L87 F89 H98 Y99 H104C82-I84 VanDerWaalsContact C-N 3.31Å; C82-I84 PolarHBondContact O-N 3.39Å; C82-C85 HydrophobicContact CB-CB 4.48Å; C82-C85 PolarHBondContact O-N 3.38Å; C82-C85 PolarHBondContact SG-N 2.85Å; C82-Q86 VanDerWaalsContact O-CA 3.25Å; C82-Q86 WeakPolarHBondContact O-CA 3.38Å; C82-Q86 PolarHBondContact O-N 2.87Å; C82-L87 PolarHBondContact N-O 3.24Å; C82-F89 HydrophobicContact CB-CE2 4.05Å; C82-H98 PolarHBondContact SG-NE2 3.05Å; C82-Y99 WeakPolarHBondContact CA-OH 3.48Å; C82-Y99 HydrophobicContact CB-CE1 3.59Å; C82-H104 PolarHBondContact SG-CE1 3.35Å; C82-H104 PolarHBondContact SG-ND1 3.4Å; C82-H104 VanDerWaalsContact SG-ND1 3.39Å
83N92.9Very high81.5Confident139 Ų139106 Ų10674%0.74351%0.512SS*.THydrogen-bonded Turntrans-62.6-35.5-178.2-67.5-25.1000113.3S81S81-N83 PolarHBondContact O-N 3.1Å
84I92.8Very high83.3Confident46 Ų46105.6 Ų105.624%0.23650%0.501CS..THydrogen-bonded Turntrans-67.4-42.7180-69.6133.1000111.8C82 K107 L108 L111C82-I84 VanDerWaalsContact C-N 3.31Å; C82-I84 PolarHBondContact O-N 3.39Å; I84-K107 HydrophobicContact CG2-CB 3.94Å; I84-K107 HydrophobicContact CG2-CD 3.96Å; I84-K107 HydrophobicContact CG2-CG 3.87Å; I84-K107 WeakPolarHBondContact O-CD 3.49Å; I84-K107 VanDerWaalsContact O-CE 3.23Å; I84-K107 WeakPolarHBondContact O-CE 3.45Å; I84-K107 PolarHBondContact O-NZ 2.86Å; I84-L108 HydrophobicContact CD1-CD2 3.46Å; I84-L108 VanDerWaalsContact CD1-CD2 3.46Å; I84-L108 HydrophobicContact CD1-CG 4.1Å; I84-L108 HydrophobicContact CG1-CD2 4.21Å; I84-L111 HydrophobicContact CB-CD1 4.31Å; I84-L111 HydrophobicContact CG1-CD1 4.07Å; I84-L111 HydrophobicContact CG2-CD1 3.82Å
85C91.7Very high85.2Confident26 Ų2696.9 Ų96.918%0.17646%0.461CS..THydrogen-bonded Turntrans-98.3-13.4-177.1-65.20000113.9C82 L87 H98C82-C85 HydrophobicContact CB-CB 4.48Å; C82-C85 PolarHBondContact O-N 3.38Å; C82-C85 PolarHBondContact SG-N 2.85Å; C85-L87 HydrophobicContact CB-CD1 4.17Å; C85-L87 VanDerWaalsContact O-CD1 3.3Å; C85-L87 WeakPolarHBondContact O-CD1 3.02Å; C85-L87 PolarHBondContact O-N 3.07Å; C85-H98 WeakPolarHBondContact CB-NE2 3.11Å; C85-H98 VanDerWaalsContact SG-CE1 3.51Å; C85-H98 PolarHBondContact SG-NE2 3.38Å; C85-H98 VanDerWaalsContact SG-NE2 3.43Å
86Q92Very high87.2Confident174 Ų17489.3 Ų89.381%0.81344%0.443SS*.THydrogen-bonded Turntrans5827.8-173.7-59.5-176.7100114.2C82C82-Q86 VanDerWaalsContact O-CA 3.25Å; C82-Q86 WeakPolarHBondContact O-CA 3.38Å; C82-Q86 PolarHBondContact O-N 2.87Å
87L92.4Very high89.1Confident82 Ų8281.1 Ų81.143%0.42943%0.427SS..EExtended strand (participates in β ladder)trans-90.2143.5172.2-9061.8000110.5S81 C82 C85 F89S81-L87 CarbonylContact C-O 3.56Å; S81-L87 VanDerWaalsContact CA-O 3.28Å; S81-L87 WeakPolarHBondContact CA-O 3.5Å; C82-L87 PolarHBondContact N-O 3.24Å; C85-L87 HydrophobicContact CB-CD1 4.17Å; C85-L87 VanDerWaalsContact O-CD1 3.3Å; C85-L87 WeakPolarHBondContact O-CD1 3.02Å; C85-L87 PolarHBondContact O-N 3.07Å; L87-F89 HydrophobicContact CB-CE1 4.15Å; L87-F89 HydrophobicContact CB-CE2 3.93Å; L87-F89 HydrophobicContact CB-CZ 3.49Å; L87-F89 VanDerWaalsContact CB-CZ 3.49Å; L87-F89 HydrophobicContact CD2-CE1 4.1Å; L87-F89 HydrophobicContact CD2-CZ 3.87Å; L87-F89 HydrophobicContact CG-CZ 4.32Å
88R93.8Very high90.7Very high184 Ų18476 Ų7669%0.69441%0.405SS*.EExtended strand (participates in β ladder)trans-112.9135.3171.4-62.4-154138-177.5-5.7110I79I79-R88 HydrophobicContact CG2-CB 3.84Å; I79-R88 HydrophobicContact CG2-CG 4.43Å
89F93.2Very high92.1Very high21 Ų2172.4 Ų72.49%0.09239%0.385CS..  trans-113.8144.8-175-57.8-72.9000111.4I80 C82 L87 Q94 A95 H98I80-F89 WeakPolarHBondContact O-CD2 3.49Å; I80-F89 PolarHBondContact O-N 2.97Å; C82-F89 HydrophobicContact CB-CE2 4.05Å; L87-F89 HydrophobicContact CB-CE1 4.15Å; L87-F89 HydrophobicContact CB-CE2 3.93Å; L87-F89 HydrophobicContact CB-CZ 3.49Å; L87-F89 VanDerWaalsContact CB-CZ 3.49Å; L87-F89 HydrophobicContact CD2-CE1 4.1Å; L87-F89 HydrophobicContact CD2-CZ 3.87Å; L87-F89 HydrophobicContact CG-CZ 4.32Å; F89-Q94 HydrophobicContact CB-CB 4.21Å; F89-Q94 HydrophobicContact CD1-CB 3.87Å; F89-Q94 HydrophobicContact CG-CB 4.33Å; F89-A95 HydrophobicContact CB-CB 4.08Å; F89-A95 HydrophobicContact CD2-CB 3.66Å; F89-A95 HydrophobicContact CE2-CB 4.42Å; F89-A95 HydrophobicContact CG-CB 3.99Å; F89-H98 HydrophobicContact CE1-CB 3.91Å; F89-H98 HydrophobicContact CE2-CB 3.95Å; F89-H98 AromaticContact CE2-CD2 3.82Å; F89-H98 AromaticContact CE2-CG 3.85Å; F89-H98 HydrophobicContact CZ-CB 3.41Å; F89-H98 VanDerWaalsContact CZ-CB 3.41Å; F89-H98 AromaticContact CZ-CD2 3.69Å; F89-H98 AromaticContact CZ-CG 3.29Å; F89-H98 AromaticContact CZ-ND1 3.69Å
90N89.8Confident93Very high97 Ų9776.9 Ų76.952%0.51940%0.401SS..SBendtrans-96.94.4-178.7-163.66.1000112.3K77K77-N90 WeakPolarHBondContact CD-OD1 3.16Å
91S90.3Very high93.4Very high48 Ų4875.9 Ų75.934%0.33640%0.401SS..SBendtrans-158.7142.9179.8-174.60000109.3S93 Q94 A95S91-S93 VanDerWaalsContact C-N 3.32Å; S91-S93 PolarHBondContact O-N 3.34Å; S91-S93 PolarHBondContact OG-OG 2.89Å; S91-Q94 PolarHBondContact O-N 3.11Å; S91-A95 PolarHBondContact O-N 3.14Å
92D93Very high93.5Very high104 Ų10479.5 Ų79.556%0.55642%0.421SS*.Hα-helixtrans-56.9-43.9177.2-176.7-87.9000112.2I80 Q94 A95 A96I80-D92 HydrophobicContact CD1-CB 3.85Å; I80-D92 VanDerWaalsContact CD1-OD2 3.24Å; I80-D92 WeakPolarHBondContact CD1-OD2 3.44Å; D92-Q94 PolarHBondContact O-N 2.9Å; D92-Q94 VanDerWaalsContact O-N 3.11Å; D92-A95 CarbonylContact O-C 3.6Å; D92-A95 WeakPolarHBondContact O-CA 3.35Å; D92-A95 WeakPolarHBondContact O-CB 3.26Å; D92-A95 PolarHBondContact O-N 2.87Å; D92-A96 PolarHBondContact O-N 3.24Å
93S93.5Very high93.5Very high77 Ų7788 Ų8854%0.53846%0.459SS..Hα-helixtrans-56.9-32.1178.560.40000113.7S91 A97S91-S93 VanDerWaalsContact C-N 3.32Å; S91-S93 PolarHBondContact O-N 3.34Å; S91-S93 PolarHBondContact OG-OG 2.89Å; S93-A97 VanDerWaalsContact O-CB 3.24Å; S93-A97 WeakPolarHBondContact O-CB 3.23Å; S93-A97 PolarHBondContact O-N 3.03Å
94Q92.8Very high93.6Very high100 Ų10081.8 Ų81.847%0.46743%0.425SS..Hα-helixtrans-74.8-35.6175.3-62.61742400111.8F89 S91 D92 H98F89-Q94 HydrophobicContact CB-CB 4.21Å; F89-Q94 HydrophobicContact CD1-CB 3.87Å; F89-Q94 HydrophobicContact CG-CB 4.33Å; S91-Q94 PolarHBondContact O-N 3.11Å; D92-Q94 PolarHBondContact O-N 2.9Å; D92-Q94 VanDerWaalsContact O-N 3.11Å; Q94-H98 VanDerWaalsContact O-CB 3.32Å; Q94-H98 WeakPolarHBondContact O-CB 3.38Å; Q94-H98 PolarHBondContact O-N 3.47Å
95A94.3Very high93.7Very high1 Ų181.6 Ų81.61%0.00843%0.43CS..Hα-helixtrans-69.4-46.8174.300000111.2I80 F89 S91 D92 A97 H98 Y99I80-A95 HydrophobicContact CB-CB 3.97Å; I80-A95 HydrophobicContact CD1-CB 4.49Å; I80-A95 HydrophobicContact CG2-CB 3.48Å; I80-A95 VanDerWaalsContact CG2-CB 3.48Å; F89-A95 HydrophobicContact CB-CB 4.08Å; F89-A95 HydrophobicContact CD2-CB 3.66Å; F89-A95 HydrophobicContact CE2-CB 4.42Å; F89-A95 HydrophobicContact CG-CB 3.99Å; S91-A95 PolarHBondContact O-N 3.14Å; D92-A95 CarbonylContact O-C 3.6Å; D92-A95 WeakPolarHBondContact O-CA 3.35Å; D92-A95 WeakPolarHBondContact O-CB 3.26Å; D92-A95 PolarHBondContact O-N 2.87Å; A95-A97 PolarHBondContact O-N 3.46Å; A95-H98 WeakPolarHBondContact O-CA 3.2Å; A95-H98 WeakPolarHBondContact O-CB 3.44Å; A95-H98 PolarHBondContact O-N 3.31Å; A95-H98 VanDerWaalsContact O-N 3.09Å; A95-Y99 HydrophobicContact CB-CD2 4.37Å; A95-Y99 HydrophobicContact CB-CE2 3.96Å; A95-Y99 WeakPolarHBondContact O-CD2 2.81Å; A95-Y99 PolarHBondContact O-N 3.01Å
96A93.7Very high93.9Very high50 Ų5088.3 Ų88.341%0.41346%0.457SS..Hα-helixtrans-58.1-47.4175.800000112D92 H98 Y99 K100D92-A96 PolarHBondContact O-N 3.24Å; A96-H98 VanDerWaalsContact C-N 3.28Å; A96-H98 PolarHBondContact O-N 3.37Å; A96-Y99 PolarHBondContact O-N 3.08Å; A96-K100 PolarHBondContact O-N 3.2Å
97A95.1Very high94Very high68 Ų6884.6 Ų84.656%0.56244%0.438SS*.Hα-helixtrans-63.2-32.3174.700000112.9S93 A95 G101S93-A97 VanDerWaalsContact O-CB 3.24Å; S93-A97 WeakPolarHBondContact O-CB 3.23Å; S93-A97 PolarHBondContact O-N 3.03Å; A95-A97 PolarHBondContact O-N 3.46Å; A97-G101 PolarHBondContact O-N 3.43Å
98H96.3Very high94.1Very high28 Ų2883.3 Ų83.313%0.1343%0.431CS..Hα-helixtrans-69-49.2173174.280.2000112.4C82 C85 F89 Q94 A95 A96 K100 G101 H104C82-H98 PolarHBondContact SG-NE2 3.05Å; C85-H98 WeakPolarHBondContact CB-NE2 3.11Å; C85-H98 VanDerWaalsContact SG-CE1 3.51Å; C85-H98 PolarHBondContact SG-NE2 3.38Å; C85-H98 VanDerWaalsContact SG-NE2 3.43Å; F89-H98 HydrophobicContact CE1-CB 3.91Å; F89-H98 HydrophobicContact CE2-CB 3.95Å; F89-H98 AromaticContact CE2-CD2 3.82Å; F89-H98 AromaticContact CE2-CG 3.85Å; F89-H98 HydrophobicContact CZ-CB 3.41Å; F89-H98 VanDerWaalsContact CZ-CB 3.41Å; F89-H98 AromaticContact CZ-CD2 3.69Å; F89-H98 AromaticContact CZ-CG 3.29Å; F89-H98 AromaticContact CZ-ND1 3.69Å; Q94-H98 VanDerWaalsContact O-CB 3.32Å; Q94-H98 WeakPolarHBondContact O-CB 3.38Å; Q94-H98 PolarHBondContact O-N 3.47Å; A95-H98 WeakPolarHBondContact O-CA 3.2Å; A95-H98 WeakPolarHBondContact O-CB 3.44Å; A95-H98 PolarHBondContact O-N 3.31Å; A95-H98 VanDerWaalsContact O-N 3.09Å; A96-H98 VanDerWaalsContact C-N 3.28Å; A96-H98 PolarHBondContact O-N 3.37Å; H98-K100 PolarHBondContact O-N 3.31Å; H98-G101 WeakPolarHBondContact O-CA 3.43Å; H98-G101 PolarHBondContact O-N 3.29Å; H98-H104 AromaticContact CD2-ND1 3.83Å; H98-H104 AromaticContact NE2-CG 3.96Å; H98-H104 AromaticContact NE2-ND1 3.31Å; H98-H104 PolarHBondContact NE2-ND1 3.33Å; H98-H104 WeakPolarHBondContact O-CB 3.05Å
99Y96.1Very high94.1Very high93 Ų9381.9 Ų81.937%0.36543%0.43SS..Hα-helixtrans-63.2-40-178.4-66.9-54.3000112.1I80 S81 C82 A95 A96 G101 H104I80-Y99 HydrophobicContact CG2-CE2 4.2Å; S81-Y99 PolarHBondContact O-OH 2.86Å; C82-Y99 WeakPolarHBondContact CA-OH 3.48Å; C82-Y99 HydrophobicContact CB-CE1 3.59Å; A95-Y99 HydrophobicContact CB-CD2 4.37Å; A95-Y99 HydrophobicContact CB-CE2 3.96Å; A95-Y99 WeakPolarHBondContact O-CD2 2.81Å; A95-Y99 PolarHBondContact O-N 3.01Å; A96-Y99 PolarHBondContact O-N 3.08Å; Y99-G101 PolarHBondContact O-N 3.39Å; Y99-H104 AromaticContact CD1-CE1 3.72Å; Y99-H104 AromaticContact CD1-NE2 3.69Å; Y99-H104 PolarHBondContact O-CD2 3.09Å
100K95Very high94.1Very high197 Ų19783.9 Ų83.986%0.85745%0.45SS*.THydrogen-bonded Turntrans-75.6-5.2173.1-158.7169.3-176.2175.70113.4A96 H98A96-K100 PolarHBondContact O-N 3.2Å; H98-K100 PolarHBondContact O-N 3.31Å
101G95.1Very high94.2Very high22 Ų2282.6 Ų82.623%0.22744%0.443CS..SBendtrans-78.4139.8-174.900000114.1A97 H98 Y99 K103 H104 A105A97-G101 PolarHBondContact O-N 3.43Å; H98-G101 WeakPolarHBondContact O-CA 3.43Å; H98-G101 PolarHBondContact O-N 3.29Å; Y99-G101 PolarHBondContact O-N 3.39Å; G101-K103 PolarHBondContact O-N 3.34Å; G101-K103 VanDerWaalsContact O-N 3.11Å; G101-H104 WeakPolarHBondContact O-CA 3.44Å; G101-H104 WeakPolarHBondContact O-CB 3.3Å; G101-H104 PolarHBondContact O-N 2.74Å; G101-A105 PolarHBondContact O-N 3.49Å; G101-A105 VanDerWaalsContact O-N 3.07Å
102T95.5Very high94.3Very high111 Ų11185.4 Ų85.468%0.68145%0.451SS*.Hα-helixtrans-56.3-31.3-179.758.40000114H104 K106T102-H104 VanDerWaalsContact C-N 3.34Å; T102-K106 WeakPolarHBondContact O-CG 3.44Å; T102-K106 PolarHBondContact O-N 3.38Å
103K93.5Very high94.2Very high181 Ų18183.5 Ų83.579%0.78745%0.449SS*.Hα-helixtrans-64-36.6173.9-66.9178.9-175.2-75.80112.5G101G101-K103 PolarHBondContact O-N 3.34Å; G101-K103 VanDerWaalsContact O-N 3.11Å
104H96.4Very high93.7Very high7 Ų785.7 Ų85.73%0.03245%0.452CS..Hα-helixtrans-75.3-48.7176.7-17779.1000110.6C82 H98 Y99 G101 T102 K106 K107 L108C82-H104 PolarHBondContact SG-CE1 3.35Å; C82-H104 PolarHBondContact SG-ND1 3.4Å; C82-H104 VanDerWaalsContact SG-ND1 3.39Å; H98-H104 AromaticContact CD2-ND1 3.83Å; H98-H104 AromaticContact NE2-CG 3.96Å; H98-H104 AromaticContact NE2-ND1 3.31Å; H98-H104 PolarHBondContact NE2-ND1 3.33Å; H98-H104 WeakPolarHBondContact O-CB 3.05Å; Y99-H104 AromaticContact CD1-CE1 3.72Å; Y99-H104 AromaticContact CD1-NE2 3.69Å; Y99-H104 PolarHBondContact O-CD2 3.09Å; G101-H104 WeakPolarHBondContact O-CA 3.44Å; G101-H104 WeakPolarHBondContact O-CB 3.3Å; G101-H104 PolarHBondContact O-N 2.74Å; T102-H104 VanDerWaalsContact C-N 3.34Å; H104-K106 VanDerWaalsContact C-N 3.31Å; H104-K106 PolarHBondContact O-N 3.08Å; H104-K107 WeakPolarHBondContact O-CA 3.42Å; H104-K107 PolarHBondContact O-N 3.29Å; H104-L108 WeakPolarHBondContact NE2-CD1 3.5Å; H104-L108 PolarHBondContact O-N 2.85Å
105A95Very high93.3Very high43 Ų4388.4 Ų88.436%0.35546%0.463SS..Hα-helixtrans-56-4017800000113.4G101 K107 K109G101-A105 PolarHBondContact O-N 3.49Å; G101-A105 VanDerWaalsContact O-N 3.07Å; A105-K107 VanDerWaalsContact C-N 3.33Å; A105-K107 PolarHBondContact O-N 2.74Å; A105-K109 PolarHBondContact O-N 3.48Å
106K95.2Very high92.2Very high167 Ų16794.2 Ų94.273%0.72649%0.494SS*.Hα-helixtrans-64.6-34.3173.5-75.3-173.8177.6-169.20113T102 H104 A110T102-K106 WeakPolarHBondContact O-CG 3.44Å; T102-K106 PolarHBondContact O-N 3.38Å; H104-K106 VanDerWaalsContact C-N 3.31Å; H104-K106 PolarHBondContact O-N 3.08Å; K106-A110 PolarHBondContact O-N 3.44Å
107K94.4Very high90.9Very high96 Ų96100.2 Ų100.242%0.41751%0.51SS..Hα-helixtrans-79.5-31.8179.2-158.4177.5-175.9-166.50112.6I84 H104 A105 L111I84-K107 HydrophobicContact CG2-CB 3.94Å; I84-K107 HydrophobicContact CG2-CD 3.96Å; I84-K107 HydrophobicContact CG2-CG 3.87Å; I84-K107 WeakPolarHBondContact O-CD 3.49Å; I84-K107 VanDerWaalsContact O-CE 3.23Å; I84-K107 WeakPolarHBondContact O-CE 3.45Å; I84-K107 PolarHBondContact O-NZ 2.86Å; H104-K107 WeakPolarHBondContact O-CA 3.42Å; H104-K107 PolarHBondContact O-N 3.29Å; A105-K107 VanDerWaalsContact C-N 3.33Å; A105-K107 PolarHBondContact O-N 2.74Å; K107-L111 WeakPolarHBondContact O-CG 3.32Å; K107-L111 PolarHBondContact O-N 3.03Å
108L94.2Very high89.3Confident54 Ų54104.2 Ų104.228%0.28352%0.517SS..Hα-helixtrans-57-60.1168.2-89.4171000111.1I84 H104 A110 L111 E112I84-L108 HydrophobicContact CD1-CD2 3.46Å; I84-L108 VanDerWaalsContact CD1-CD2 3.46Å; I84-L108 HydrophobicContact CD1-CG 4.1Å; I84-L108 HydrophobicContact CG1-CD2 4.21Å; H104-L108 WeakPolarHBondContact NE2-CD1 3.5Å; H104-L108 PolarHBondContact O-N 2.85Å; L108-A110 PolarHBondContact O-N 2.94Å; L108-A110 VanDerWaalsContact O-N 3.14Å; L108-L111 WeakPolarHBondContact O-CA 3.22Å; L108-L111 PolarHBondContact O-N 2.97Å; L108-E112 WeakPolarHBondContact O-CG 3.3Å; L108-E112 PolarHBondContact O-N 3.07Å
109K94.2Very high87.5Confident155 Ų155109.7 Ų109.767%0.67454%0.541SS*.Hα-helixtrans-55.4-36.7-177.7-68.4-172176.2-164.70113.5A105 E112 A113A105-K109 PolarHBondContact O-N 3.48Å; K109-E112 WeakPolarHBondContact CA-OE2 3.38Å; K109-A113 WeakPolarHBondContact O-CB 3.4Å; K109-A113 PolarHBondContact O-N 2.72Å; K109-A113 VanDerWaalsContact O-N 3.07Å
110A93.6Very high85.4Confident63 Ų63109.7 Ų109.752%0.52155%0.554SS.*Hα-helixtrans-67.7-37.7175.500000113.4K106 L108 M114K106-A110 PolarHBondContact O-N 3.44Å; L108-A110 PolarHBondContact O-N 2.94Å; L108-A110 VanDerWaalsContact O-N 3.14Å; A110-M114 PolarHBondContact O-N 3.2Å
111L91.3Very high83.4Confident70 Ų70106.2 Ų106.237%0.36655%0.55SS..Hα-helixtrans-75-35.6176.2-70.7174.4000112.2I84 K107 L108 M114 K115I84-L111 HydrophobicContact CB-CD1 4.31Å; I84-L111 HydrophobicContact CG1-CD1 4.07Å; I84-L111 HydrophobicContact CG2-CD1 3.82Å; K107-L111 WeakPolarHBondContact O-CG 3.32Å; K107-L111 PolarHBondContact O-N 3.03Å; L108-L111 WeakPolarHBondContact O-CA 3.22Å; L108-L111 PolarHBondContact O-N 2.97Å; L111-M114 HydrophobicContact CD2-CE 4.15Å; L111-M114 PolarHBondContact O-N 3.34Å; L111-K115 WeakPolarHBondContact O-CB 3.24Å; L111-K115 PolarHBondContact O-N 3.44Å
112E92.1Very high81.2Confident107 Ų107110.1 Ų110.150%0.557%0.569SS.*Hα-helixtrans-62.4-47.4174.9-70.9159.8172.600110.9L108 K109 M114 K115 N116L108-E112 WeakPolarHBondContact O-CG 3.3Å; L108-E112 PolarHBondContact O-N 3.07Å; K109-E112 WeakPolarHBondContact CA-OE2 3.38Å; E112-M114 VanDerWaalsContact C-N 3.3Å; E112-M114 PolarHBondContact O-N 2.9Å; E112-K115 PolarHBondContact O-N 3.14Å; E112-N116 PolarHBondContact O-N 3.23Å
113A90Very high78.8Confident64 Ų64109 Ų10953%0.52957%0.572SS.*Hα-helixtrans-59.8-37.4174.400000113K109K109-A113 WeakPolarHBondContact O-CB 3.4Å; K109-A113 PolarHBondContact O-N 2.72Å; K109-A113 VanDerWaalsContact O-N 3.07Å
114M83.6Confident76.5Confident122 Ų122110 Ų11060%0.60158%0.576SS**Hα-helixtrans-71.9-41.5176.4-167174.976.200112.2A110 L111 E112 N116 K117A110-M114 PolarHBondContact O-N 3.2Å; L111-M114 HydrophobicContact CD2-CE 4.15Å; L111-M114 PolarHBondContact O-N 3.34Å; E112-M114 VanDerWaalsContact C-N 3.3Å; E112-M114 PolarHBondContact O-N 2.9Å; M114-N116 VanDerWaalsContact C-N 3.31Å; M114-N116 PolarHBondContact O-N 3.41Å; M114-K117 PolarHBondContact O-N 3.3Å
115K83.7Confident74.2Confident158 Ų158117 Ų11769%0.68761%0.613SS**Hα-helixtrans-63.8-36178.5-172.8-179.5178.6-173.40111.9L111 E112 K117 Q118 K119L111-K115 WeakPolarHBondContact O-CB 3.24Å; L111-K115 PolarHBondContact O-N 3.44Å; E112-K115 PolarHBondContact O-N 3.14Å; K115-K117 VanDerWaalsContact C-N 3.33Å; K115-K117 PolarHBondContact O-N 3.31Å; K115-Q118 PolarHBondContact O-N 2.82Å; K115-Q118 VanDerWaalsContact O-N 3.15Å; K115-K119 PolarHBondContact O-N 3.4Å
116N71.5Confident71.8Confident123 Ų123120 Ų12066%0.65863%0.632SS**Hα-helixtrans-59.1-42.8-178.9-161.323.6000112.1E112 M114 Q118 K119E112-N116 PolarHBondContact O-N 3.23Å; M114-N116 VanDerWaalsContact C-N 3.31Å; M114-N116 PolarHBondContact O-N 3.41Å; N116-Q118 PolarHBondContact O-N 3.46Å; N116-K119 PolarHBondContact O-N 2.99Å; N116-K119 VanDerWaalsContact O-N 3.14Å
117K67.5Low69.4Low175 Ų175116.7 Ų116.776%0.76164%0.636SS**Hα-helixtrans-65.5-18.9178.6-71.3-163173.7-167.50114.9M114 K115 S120M114-K117 PolarHBondContact O-N 3.3Å; K115-K117 VanDerWaalsContact C-N 3.33Å; K115-K117 PolarHBondContact O-N 3.31Å; K117-S120 PolarHBondContact O-OG 2.87Å
118Q60.8Low67.3Low152 Ų152121.5 Ų121.571%0.7166%0.657SS**Hα-helixtrans-93.5-11.4176.4-69.8-173.9-45.800113.3K115 N116K115-Q118 PolarHBondContact O-N 2.82Å; K115-Q118 VanDerWaalsContact O-N 3.15Å; N116-Q118 PolarHBondContact O-N 3.46Å
119K58.1Low65.1Low143 Ų143125.9 Ų125.962%0.62269%0.686SS**Hα-helixtrans-85.6-16.5179.4-171.252.4179.3160.30113.3K115 N116 V121K115-K119 PolarHBondContact O-N 3.4Å; N116-K119 PolarHBondContact O-N 2.99Å; N116-K119 VanDerWaalsContact O-N 3.14Å; K119-V121 PolarHBondContact O-N 3.39Å
120S52.2Low62.6Low93 Ų93124.1 Ų124.165%0.6569%0.688SS**THydrogen-bonded Turntrans-83.5-1-176.760.20000115.8K117K117-S120 PolarHBondContact O-OG 2.87Å
121V53.9Low60.4Low125 Ų125130.7 Ų130.776%0.75871%0.706SS**THydrogen-bonded Turntrans-106.8-4.1-177.7-175.90000112.4K119K119-V121 PolarHBondContact O-N 3.39Å
122T48.5Very low58.2Low103 Ų103132.9 Ų132.963%0.63272%0.722SS**SBendtrans-125.565.6179.541.80000111.1
123A45.9Very low55.8Low89 Ų89132.6 Ų132.674%0.73673%0.732SS**  trans-146.634.4-176.500000113.6
124K43.9Very low53.9Low202 Ų202136.9 Ų136.988%0.87874%0.744SS**  trans-154.770.7171.8-165.8-174.7178.3-178.80112.6
125D47.9Very low52.2Low152 Ų152136.3 Ų136.381%0.81375%0.747SS**SBendtrans-159.1158.5149.9-140.6-63000112
126S45.3Very low50.2Low106 Ų106134.1 Ų134.174%0.74175%0.748SS**  trans52.588.5162.3-64.90000117.7
127A45.9Very low49.1Very low99 Ų99135.9 Ų135.982%0.81876%0.757SS**  trans-70.4171.8150.100000111
128K49.6Very low47.7Very low196 Ų196132.4 Ų132.485%0.85275%0.75SS**  trans73.787.5171.9-164.9-177.9-178.3179.30116.5
129T47.7Very low47.4Very low146 Ų146132.9 Ų132.990%0.89676%0.756SS**  trans-155.8121.5137.2-0.30000109.8
130T41.4Very low46.6Very low118 Ų118132.9 Ų132.972%0.72476%0.763SS**  trans-111.2120.4-176.8-610000109.6
131F48.2Very low46.2Very low202 Ų202134.4 Ų134.489%0.88677%0.769SS**  trans-152.582.8161.2-96.2-67.4000112.9
132T45.5Very low45.7Very low115 Ų115133.1 Ų133.171%0.70677%0.765SS**  46.7114123.9-46.80000121.8
133S41.1Very low45.5Very low101 Ų101133 Ų13371%0.70677%0.769SS**  trans71153.7154-129.40000116.9
134I50.5Low45.4Very low155 Ų155134 Ų13480%0.79576%0.762SS**  cis-137.6124.130.2-69.9175.7000113.6
135T48Very low45.6Very low109 Ų109132.5 Ų132.567%0.66976%0.755SS**  trans46.8107134.2-46.30000122.6
136T41.4Very low45.5Very low113 Ų113131.6 Ų131.669%0.69376%0.755SS**  trans60.6116.2130.2-51.10000121.9
137N47.5Very low45.1Very low160 Ų160134.1 Ų134.186%0.85676%0.76SS**  -154.6137.7110.2-127.5-18000112.7
138T39.6Very low45.2Very low101 Ų101133 Ų13362%0.6276%0.759SS**  trans-122.2136.2-172.3-61.60000110.8N140T138-N140 WeakPolarHBondContact CG2-OD1 3.42Å
139I53.7Low44.7Very low163 Ų163130.1 Ų130.184%0.83676%0.758SS**  trans-135.1110.4163.1-55.4180000107.9
140N41.5Very low44.3Very low142 Ų142127.9 Ų127.976%0.75975%0.754SS**  trans-104.6139.5174.1-75.110.3000110.1T138T138-N140 WeakPolarHBondContact CG2-OD1 3.42Å
141T43.1Very low44.3Very low126 Ų126125.8 Ų125.877%0.77376%0.756SS**  trans-146.9120.5160.542.50000110.5
142S44.5Very low43.9Very low98 Ų98122.6 Ų122.669%0.68575%0.753SS**  trans34.4112.2143.554.50000118.7
143S43.7Very low43.6Very low101 Ų101122.7 Ų122.771%0.70676%0.756SS**  72148.778.882.70000112.9
144D43.3Very low43.1Very low110 Ų110122.2 Ų122.259%0.58876%0.758SS**  cis-150.7165.425.6-100.3-83000112.2
145K47.8Very low42.7Very low170 Ų170122.5 Ų122.574%0.73976%0.76SS**  trans39.6149.7140.7-61.4-176.9-17578.60121.7
146T46.6Very low42.2Very low132 Ų132123 Ų12381%0.8177%0.767SS**  cis-164.2175.2-416.40000109.7
147D36.8Very low42.4Very low159 Ų159123.5 Ų123.585%0.8577%0.77SS**  trans-54.2161.2175.1-87.7-78.3000117.9
148G47.9Very low42Very low77 Ų77122.3 Ų122.379%0.79477%0.769SS**  trans-166.794170.700000113.2
149T38.1Very low42.4Very low135 Ų135123.9 Ų123.983%0.82878%0.779SS**  trans-106.2132.4178.4-73.50000111.4
150A40.8Very low41.6Very low98 Ų98122.8 Ų122.881%0.8178%0.78SS**  trans173.8132.4141.400000114.2
151G39.8Very low42Very low74 Ų74122.5 Ų122.576%0.76378%0.783SS**  trans71.4160.1149.700000119.9
152T41Very low41.6Very low136 Ų136125.1 Ų125.183%0.83479%0.787SS**  cis-157.1144.1-19.3-540000107.1
153P38.1Very low41.5Very low116 Ų116127.5 Ų127.575%0.75379%0.79SS**  trans-99.5167.3-167.938.1-37.1000116.6
154A32.3Very low41.5Very low92 Ų92134.2 Ų134.276%0.7680%0.8SS**  trans65.4119152.100000120.9
155I41.4Very low41.1Very low161 Ų161138.7 Ų138.783%0.82681%0.814SS**  trans-133.6133.7147.2-61.6-179.6000107.6
156S37.4Very low40.8Very low118 Ų118136.4 Ų136.483%0.82582%0.819SS**  trans-114.6133.7171.6-66.30000109.4
157T45.3Very low40.2Very low124 Ų124135.5 Ų135.576%0.76182%0.818SS**  trans-134.6115.7174.2-42.60000110.4
158T39.4Very low40.5Very low136 Ų136134.7 Ų134.783%0.83482%0.819SS**  trans-97.5132.1173.946.80000110.7
159T47.2Very low40.3Very low134 Ų134138.9 Ų138.982%0.82282%0.82SS**  trans-134.9116.516442.10000110.5
160T38.4Very low40.5Very low140 Ų140137.4 Ų137.486%0.85981%0.811SS**  trans-96.9136.1174.640.90000110.2
161V48.7Very low40.6Very low136 Ų136138.8 Ų138.882%0.82481%0.81SS**  trans-141108.5164.3-175.80000109
162E35.7Very low40.6Very low181 Ų181141.9 Ų141.985%0.84680%0.804SS**  trans-88.5154.4152.8-70.1-157.3129.200109.2
163I42.8Very low41Very low148 Ų148143.1 Ų143.176%0.75980%0.804SS**  trans-162.3111.2143.4-103.3147.2000111.6
164R42.9Very low41Very low241 Ų241142.4 Ų142.491%0.90980%0.797SS**  trans54.1153.4141.5-59.1-176.3173.2173.3-2.2122.7
165K33.7Very low41.8Very low205 Ų205142.2 Ų142.289%0.89179%0.791SS**  trans-107154.3179.4-52.7168.9-179.11730111.5
166S43.1Very low41.8Very low121 Ų121143.2 Ų143.285%0.84679%0.789SS**  trans-150.7133.3146-68.10000107.3
167S34.5Very low42.1Very low113 Ų113144 Ų14479%0.7979%0.789SS**  cis8897.520.6-162.50000115.7
168V41Very low41.9Very low143 Ų143144.6 Ų144.687%0.86778%0.783SS**  trans-145.2152.3158.1-174.20000108
169M45.6Very low41.9Very low164 Ų164145.6 Ų145.681%0.80878%0.776SS**  trans-94.1-162.2-176.7-63.517260.600110.9
170T42.3Very low41.5Very low105 Ų105143.5 Ų143.564%0.64477%0.766SS**  cis-169.1146.831.7-27.30000113
171T41.8Very low41.8Very low127 Ų127142.5 Ų142.578%0.77976%0.762SS**  trans44.3139149.845.30000122.4
172E41.2Very low41.2Very low139 Ų139141.8 Ų141.865%0.6576%0.758SS**  cis-147.3-117.8-16.3-164.3-159.8-67.600110.5T174E172-T174 WeakPolarHBondContact OE2-CB 3.28Å; E172-T174 PolarHBondContact OE2-N 3.14Å; E172-T174 PolarHBondContact OE2-OG1 3.35Å
173I48.3Very low41.2Very low161 Ų161138.8 Ų138.883%0.82675%0.753SS**  cis-139.2141.52.4-53.9174.4000110.8
174T39.2Very low41.1Very low101 Ų101135.9 Ų135.962%0.6275%0.751SS**  trans-67.3141.9-178.3-67.10000117.4E172E172-T174 WeakPolarHBondContact OE2-CB 3.28Å; E172-T174 PolarHBondContact OE2-N 3.14Å; E172-T174 PolarHBondContact OE2-OG1 3.35Å
175S47.1Very low40.8Very low88 Ų88131.2 Ų131.262%0.61575%0.749SS**  174122.4121.8-80.40000118.1
176K43.2Very low41.1Very low183 Ų183124.6 Ų124.680%0.79674%0.739SS**  trans67.1116.3133.3-61.9166-168.9176.90119.3
177V42.7Very low40.8Very low135 Ų135126.7 Ų126.782%0.81874%0.741SS**  75.9125.876.9166.30000112.2
178E41.8Very low41.2Very low136 Ų136127.3 Ų127.364%0.63675%0.745SS**  cis-142.1-149.23.6-136.2-171.7137.900109.6
179K39.7Very low40.8Very low157 Ų157125.8 Ų125.868%0.68374%0.741SS**  cis-158.5125.32.3-145.2150.1-178.469.10107.8
180S37.3Very low40.3Very low90 Ų90123.3 Ų123.363%0.62974%0.738SS**  75.1152.396.2-38.40000116.2
181P45.2Very low40.1Very low118 Ų118124.4 Ų124.477%0.76675%0.747SS**  -140.1-142.1-11742.9-20.2000115.7
182T35.8Very low40.1Very low121 Ų121123 Ų12374%0.74274%0.743SS**  trans80.9146.5174.3-1.90000114.4
183T36.4Very low40.3Very low119 Ų119123 Ų12373%0.7375%0.753SS**  cis-156.4157.616.9-40.90000112
184A40.9Very low40.4Very low87 Ų87118.9 Ų118.972%0.71973%0.73SS**  trans65.2158.215300000119.6
185T36.7Very low41.4Very low142 Ų142118.4 Ų118.487%0.87173%0.727SS**  cis-167.1152-22-91.90000108
186G40.1Very low42.3Very low67 Ų67121.1 Ų121.169%0.69173%0.73SS**  trans130.6100.1150.900000117
187N36.8Very low43.5Very low165 Ų165118.7 Ų118.788%0.88272%0.721SS**  trans-75.4142.2158.6-66.5-16.7000109.5
188S41.7Very low44.5Very low126 Ų126116.3 Ų116.388%0.88170%0.701SS**  trans-158.7122.5147.8-86.10000112
189S32.6Very low45.4Very low111 Ų111113.2 Ų113.278%0.77669%0.686SS**  trans-74146.2162.8510000111.2
190C36.6Very low46.5Very low111 Ų111108.9 Ų108.975%0.7568%0.679SS**  trans-167.5146.6130.9-111.30000112.3S192C190-S192 PolarHBondContact O-N 3.31Å
191P37.6Very low47.7Very low128 Ų128112.1 Ų112.183%0.83168%0.682SS**  trans-87.287.517834.3-32.5000111.2
192S41.7Very low48.7Very low98 Ų98112.1 Ų112.169%0.68567%0.667SS**  trans-81.8139.6179.9-610000112.7C190 E194C190-S192 PolarHBondContact O-N 3.31Å; S192-E194 VanDerWaalsContact C-N 3.28Å; S192-E194 PolarHBondContact O-N 3.42Å
193T46.2Very low50.6Low140 Ų140109.6 Ų109.686%0.85965%0.648SS**  trans-74.272.7-178.652.30000112.3T195T193-T195 PolarHBondContact O-N 3.4Å
194E49.8Very low52.9Low73 Ų73106.9 Ų106.934%0.34163%0.629SS.*  trans-66.9103.8176.1-67.4-168.1154.900111.3S192 K199 R202S192-E194 VanDerWaalsContact C-N 3.28Å; S192-E194 PolarHBondContact O-N 3.42Å; E194-K199 HydrophobicContact CB-CD 4.43Å; E194-K199 HydrophobicContact CB-CG 4.41Å; E194-K199 PolarHBondContact O-NZ 3.49Å; E194-K199 VanDerWaalsContact OE2-CE 3.23Å; E194-K199 WeakPolarHBondContact OE2-CE 3.5Å; E194-R202 IonicContact OE1-CZ 3.39Å; E194-R202 IonicContact OE1-NH1 2.69Å; E194-R202 PolarHBondContact OE1-NH1 2.75Å; E194-R202 IonicContact OE1-NH2 3.59Å; E194-R202 PolarHBondContact OE1-NH2 3.24Å; E194-R202 IonicContact OE2-NH1 3.99Å
195T60Low55.3Low92 Ų92109 Ų10956%0.56462%0.619SS**  trans-52.3137.6173.6-40.90000110.9T193 E197 E198 K199T193-T195 PolarHBondContact O-N 3.4Å; T195-E197 PolarHBondContact O-N 3.44Å; T195-E198 PolarHBondContact O-N 3.33Å; T195-K199 PolarHBondContact O-N 3.35Å
196E66.2Low57.9Low145 Ų145102.4 Ų102.468%0.67858%0.579SS**Hα-helixtrans-50.1-33.7-179.9-77.5-70.3100.700113.1E198 K199 A200E196-E198 PolarHBondContact O-N 3.07Å; E196-K199 PolarHBondContact O-N 3.44Å; E196-A200 VanDerWaalsContact O-CB 3.32Å; E196-A200 WeakPolarHBondContact O-CB 3.25Å; E196-A200 PolarHBondContact O-N 2.86Å
197E66.9Low60.1Low132 Ų132103.3 Ų103.362%0.61758%0.575SS**Hα-helixtrans-66.9-28.5177.9-58.2-166.6134.500114.5T195 K201T195-E197 PolarHBondContact O-N 3.44Å; E197-K201 VanDerWaalsContact O-CD 3.26Å; E197-K201 WeakPolarHBondContact O-CD 3.37Å; E197-K201 WeakPolarHBondContact O-CE 3.24Å; E197-K201 WeakPolarHBondContact O-CG 3.24Å; E197-K201 PolarHBondContact O-N 3.02Å
198E65.1Low62.6Low85 Ų8597.2 Ų97.240%0.39754%0.542SS..Hα-helixtrans-80.1-40.1174.8-160.5-173145.600111T195 E196 A200 K201 R202T195-E198 PolarHBondContact O-N 3.33Å; E196-E198 PolarHBondContact O-N 3.07Å; E198-A200 VanDerWaalsContact C-N 3.27Å; E198-A200 PolarHBondContact O-N 2.87Å; E198-K201 CarbonylContact O-C 3.54Å; E198-K201 WeakPolarHBondContact O-CA 3.46Å; E198-K201 WeakPolarHBondContact O-CB 3.43Å; E198-K201 PolarHBondContact O-N 3.36Å; E198-R202 WeakPolarHBondContact O-CG 3.46Å; E198-R202 PolarHBondContact O-N 3.2Å; E198-R202 IonicContact OE1-CZ 3.24Å; E198-R202 VanDerWaalsContact OE1-CZ 3.24Å; E198-R202 IonicContact OE1-NE 2.67Å; E198-R202 PolarHBondContact OE1-NE 3.37Å; E198-R202 VanDerWaalsContact OE1-NE 3.08Å; E198-R202 IonicContact OE1-NH2 3.41Å; E198-R202 PolarHBondContact OE1-NH2 3.42Å
199K60.8Low64.9Low70 Ų7093 Ų9330%0.30451%0.512SS..Hα-helixtrans-56.4-44.2169.3-73.4169.5179.3139.20110.9E194 T195 E196 K201 R202 L203E194-K199 HydrophobicContact CB-CD 4.43Å; E194-K199 HydrophobicContact CB-CG 4.41Å; E194-K199 PolarHBondContact O-NZ 3.49Å; E194-K199 VanDerWaalsContact OE2-CE 3.23Å; E194-K199 WeakPolarHBondContact OE2-CE 3.5Å; T195-K199 PolarHBondContact O-N 3.35Å; E196-K199 PolarHBondContact O-N 3.44Å; K199-K201 VanDerWaalsContact C-N 3.26Å; K199-K201 PolarHBondContact O-N 2.89Å; K199-R202 CarbonylContact O-C 3.56Å; K199-R202 PolarHBondContact O-N 3.11Å; K199-R202 VanDerWaalsContact O-N 3.14Å; K199-L203 VanDerWaalsContact O-CD1 3.24Å; K199-L203 WeakPolarHBondContact O-CD1 3.24Å; K199-L203 PolarHBondContact O-N 2.83Å
200A61.3Low67.6Low66 Ų6695.4 Ų95.455%0.54551%0.509SS..Hα-helixtrans-61.5-29.4174.900000113.7E196 E198E196-A200 VanDerWaalsContact O-CB 3.32Å; E196-A200 WeakPolarHBondContact O-CB 3.25Å; E196-A200 PolarHBondContact O-N 2.86Å; E198-A200 VanDerWaalsContact C-N 3.27Å; E198-A200 PolarHBondContact O-N 2.87Å
201K63.6Low70.1Confident158 Ų15893.3 Ų93.369%0.68749%0.493SS*.Hα-helixtrans-79.1-32.9173.2-69159.2-163.8163.90112.6E197 E198 K199 L203E197-K201 VanDerWaalsContact O-CD 3.26Å; E197-K201 WeakPolarHBondContact O-CD 3.37Å; E197-K201 WeakPolarHBondContact O-CE 3.24Å; E197-K201 WeakPolarHBondContact O-CG 3.24Å; E197-K201 PolarHBondContact O-N 3.02Å; E198-K201 CarbonylContact O-C 3.54Å; E198-K201 WeakPolarHBondContact O-CA 3.46Å; E198-K201 WeakPolarHBondContact O-CB 3.43Å; E198-K201 PolarHBondContact O-N 3.36Å; K199-K201 VanDerWaalsContact C-N 3.26Å; K199-K201 PolarHBondContact O-N 2.89Å; K201-L203 VanDerWaalsContact C-N 3.33Å
202R66.4Low72.7Confident119 Ų11989.7 Ų89.745%0.44947%0.473SS..Hα-helixtrans-76.7-17.1173.5-64.9-174.2-168.9171.45.9113.1E194 E198 K199 L204E194-R202 IonicContact OE1-CZ 3.39Å; E194-R202 IonicContact OE1-NH1 2.69Å; E194-R202 PolarHBondContact OE1-NH1 2.75Å; E194-R202 IonicContact OE1-NH2 3.59Å; E194-R202 PolarHBondContact OE1-NH2 3.24Å; E194-R202 IonicContact OE2-NH1 3.99Å; E198-R202 WeakPolarHBondContact O-CG 3.46Å; E198-R202 PolarHBondContact O-N 3.2Å; E198-R202 IonicContact OE1-CZ 3.24Å; E198-R202 VanDerWaalsContact OE1-CZ 3.24Å; E198-R202 IonicContact OE1-NE 2.67Å; E198-R202 PolarHBondContact OE1-NE 3.37Å; E198-R202 VanDerWaalsContact OE1-NE 3.08Å; E198-R202 IonicContact OE1-NH2 3.41Å; E198-R202 PolarHBondContact OE1-NH2 3.42Å; K199-R202 CarbonylContact O-C 3.56Å; K199-R202 PolarHBondContact O-N 3.11Å; K199-R202 VanDerWaalsContact O-N 3.14Å; R202-L204 VanDerWaalsContact O-CD1 3.29Å; R202-L204 WeakPolarHBondContact O-CD1 3.46Å; R202-L204 PolarHBondContact O-N 3.37Å
203L76.1Confident75Confident68 Ų6885.9 Ų85.936%0.35645%0.446SS..SBendtrans-70.794.7174.2-106.867.9000111.3K199 K201 Y205 A212 V213 N214K199-L203 VanDerWaalsContact O-CD1 3.24Å; K199-L203 WeakPolarHBondContact O-CD1 3.24Å; K199-L203 PolarHBondContact O-N 2.83Å; K201-L203 VanDerWaalsContact C-N 3.33Å; L203-Y205 PolarHBondContact O-N 2.89Å; L203-A212 HydrophobicContact CB-CB 4.39Å; L203-A212 HydrophobicContact CD2-CB 3.94Å; L203-A212 HydrophobicContact CG-CB 4.34Å; L203-V213 CarbonylContact C-O 3.42Å; L203-V213 VanDerWaalsContact CA-O 3.3Å; L203-V213 WeakPolarHBondContact CA-O 3.29Å; L203-N214 HydrophobicContact CD1-CB 4.45Å
204L83Confident77.1Confident62 Ų6284 Ų8433%0.32543%0.43SS..EExtended strand (participates in β ladder)trans-70.5132177.3-48.192.8000110.3R202 V213 S215 A216 L219R202-L204 VanDerWaalsContact O-CD1 3.29Å; R202-L204 WeakPolarHBondContact O-CD1 3.46Å; R202-L204 PolarHBondContact O-N 3.37Å; L204-V213 PolarHBondContact N-O 3.08Å; L204-V213 PolarHBondContact O-N 2.98Å; L204-S215 VanDerWaalsContact CD1-C 3.4Å; L204-A216 HydrophobicContact CD1-CB 4.33Å; L204-A216 HydrophobicContact CD2-CB 4.11Å; L204-L219 HydrophobicContact CB-CB 4.2Å; L204-L219 HydrophobicContact CB-CD2 3.48Å; L204-L219 VanDerWaalsContact CB-CD2 3.48Å; L204-L219 HydrophobicContact CB-CG 4.37Å; L204-L219 HydrophobicContact CD2-CD2 4.14Å; L204-L219 HydrophobicContact CG-CD2 4.44Å
205Y91.2Very high78.9Confident130 Ų13082.4 Ų82.451%0.5143%0.427SS..EExtended strand (participates in β ladder)trans-112125.2-168.4172-102.6000113.3L203 S207 K210 A212L203-Y205 PolarHBondContact O-N 2.89Å; Y205-S207 PolarHBondContact O-N 2.74Å; Y205-K210 HydrophobicContact CE2-CB 4.31Å; Y205-K210 WeakPolarHBondContact OH-CG 2.88Å; Y205-A212 HydrophobicContact CD2-CB 4.28Å
206C91.3Very high80.3Confident5 Ų581 Ų813%0.03443%0.425CS..EExtended strand (participates in β ladder)trans-81.7111.7171.2-178.50000111.3L208 C209 K210 V211 L219 H222 H228C206-L208 VanDerWaalsContact C-N 3.3Å; C206-L208 PolarHBondContact O-N 3.13Å; C206-C209 HydrophobicContact CB-CB 4.42Å; C206-C209 PolarHBondContact SG-N 3.49Å; C206-C209 VanDerWaalsContact SG-N 3.39Å; C206-K210 WeakPolarHBondContact O-CA 3.44Å; C206-K210 PolarHBondContact O-N 2.9Å; C206-V211 PolarHBondContact N-O 2.79Å; C206-L219 HydrophobicContact CB-CD1 4.07Å; C206-H222 WeakPolarHBondContact CB-NE2 3.42Å; C206-H222 PolarHBondContact SG-NE2 2.88Å; C206-H228 PolarHBondContact SG-CE1 2.93Å; C206-H228 PolarHBondContact SG-ND1 2.87Å
207S88Confident81.5Confident86 Ų8678.5 Ų78.560%0.60142%0.424SS*.THydrogen-bonded Turntrans-66.1-26.2178.362.30000114.6Y205Y205-S207 PolarHBondContact O-N 2.74Å
208L88.9Confident82.7Confident36 Ų3676.8 Ų76.819%0.18842%0.416CS..THydrogen-bonded Turntrans-80.5-48.3-179.1-57.7-170.5000112.3C206 L232 R235C206-L208 VanDerWaalsContact C-N 3.3Å; C206-L208 PolarHBondContact O-N 3.13Å; L208-L232 HydrophobicContact CD1-CB 3.76Å; L208-L232 HydrophobicContact CD1-CD1 3.93Å; L208-L232 HydrophobicContact CD1-CG 3.79Å; L208-R235 VanDerWaalsContact CD2-CD 3.44Å
209C89.1Confident83.9Confident39 Ų3973.9 Ų73.926%0.26440%0.403SS..THydrogen-bonded Turntrans-90.1-13.9-177.9-62.20000113.4C206 V211 H222C206-C209 HydrophobicContact CB-CB 4.42Å; C206-C209 PolarHBondContact SG-N 3.49Å; C206-C209 VanDerWaalsContact SG-N 3.39Å; C209-V211 VanDerWaalsContact C-N 3.28Å; C209-V211 HydrophobicContact CB-CG2 4.05Å; C209-V211 PolarHBondContact O-N 2.98Å; C209-H222 WeakPolarHBondContact CB-NE2 3.45Å; C209-H222 VanDerWaalsContact SG-CE1 3.59Å; C209-H222 PolarHBondContact SG-NE2 3.03Å; C209-H222 VanDerWaalsContact SG-NE2 3.42Å
210K90.1Very high85.4Confident160 Ų16076.9 Ų76.970%0.69642%0.418SS*.THydrogen-bonded Turntrans5835.8-173.8-51.1-166178.3-172.60114.1Y205 C206Y205-K210 HydrophobicContact CE2-CB 4.31Å; Y205-K210 WeakPolarHBondContact OH-CG 2.88Å; C206-K210 WeakPolarHBondContact O-CA 3.44Å; C206-K210 PolarHBondContact O-N 2.9Å
211V89Confident86.9Confident68 Ų6876.8 Ų76.841%0.41242%0.417SS..EExtended strand (participates in β ladder)trans-106.1130.5176.3-177.20000108.4C206 C209 V213C206-V211 PolarHBondContact N-O 2.79Å; C209-V211 VanDerWaalsContact C-N 3.28Å; C209-V211 HydrophobicContact CB-CG2 4.05Å; C209-V211 PolarHBondContact O-N 2.98Å; V211-V213 HydrophobicContact CG1-CG2 3.94Å
212A91.7Very high88.4Confident52 Ų5271.3 Ų71.343%0.4339%0.394SS..EExtended strand (participates in β ladder)trans-95.6142.3167.800000109.5L203 Y205L203-A212 HydrophobicContact CB-CB 4.39Å; L203-A212 HydrophobicContact CD2-CB 3.94Å; L203-A212 HydrophobicContact CG-CB 4.34Å; Y205-A212 HydrophobicContact CD2-CB 4.28Å
213V90.5Very high89.6Confident17 Ų1768.5 Ų68.510%0.10339%0.388CS..EExtended strand (participates in β ladder)trans-137.4136.8-163.2-176.80000109.5L203 L204 V211 Q218 L219L203-V213 CarbonylContact C-O 3.42Å; L203-V213 VanDerWaalsContact CA-O 3.3Å; L203-V213 WeakPolarHBondContact CA-O 3.29Å; L204-V213 PolarHBondContact N-O 3.08Å; L204-V213 PolarHBondContact O-N 2.98Å; V211-V213 HydrophobicContact CG1-CG2 3.94Å; V213-Q218 HydrophobicContact CG1-CB 3.21Å; V213-Q218 HydrophobicContact CG1-CG 4.39Å; V213-L219 HydrophobicContact CB-CB 4.43Å; V213-L219 HydrophobicContact CG1-CB 4.42Å; V213-L219 HydrophobicContact CG2-CD1 4.27Å
214N89.1Confident90.3Very high100 Ų10069.5 Ų69.554%0.53540%0.401SS..SBendtrans-77.8-29.3-163.8178.7-97.7000114.6L203L203-N214 HydrophobicContact CD1-CB 4.45Å
215S88.9Confident90.8Very high40 Ų4067.8 Ų67.828%0.2840%0.398SS..SBendtrans-130.2155.2178.782.30000113.2L204 S217 Q218 L219L204-S215 VanDerWaalsContact CD1-C 3.4Å; S215-S217 VanDerWaalsContact C-N 3.32Å; S215-S217 PolarHBondContact O-N 2.86Å; S215-Q218 WeakPolarHBondContact O-CB 3.43Å; S215-Q218 PolarHBondContact O-N 3.12Å; S215-Q218 VanDerWaalsContact O-N 3.1Å; S215-Q218 WeakPolarHBondContact OG-CG 3.47Å; S215-Q218 PolarHBondContact OG-N 2.86Å; S215-L219 PolarHBondContact O-N 3.39Å
216A89.1Confident90.8Very high62 Ų6266.8 Ų66.851%0.51241%0.405SS..Hα-helixtrans-59.1-43-179.200000112L204 Q218 L219 E220L204-A216 HydrophobicContact CD1-CB 4.33Å; L204-A216 HydrophobicContact CD2-CB 4.11Å; A216-Q218 VanDerWaalsContact C-N 3.32Å; A216-Q218 PolarHBondContact O-N 3.24Å; A216-L219 PolarHBondContact O-N 3.08Å; A216-E220 PolarHBondContact O-N 2.87Å
217S91.5Very high90.8Very high93 Ų9375.5 Ų75.565%0.6544%0.443SS*.Hα-helixtrans-59.9-38.1174.7172.90000112.8S215 E220 A221S215-S217 VanDerWaalsContact C-N 3.32Å; S215-S217 PolarHBondContact O-N 2.86Å; S217-E220 WeakPolarHBondContact O-CB 3.47Å; S217-E220 PolarHBondContact O-N 3Å; S217-A221 WeakPolarHBondContact O-CB 3.45Å; S217-A221 PolarHBondContact O-N 3.37Å
218Q90.9Very high91Very high97 Ų9772.1 Ų72.145%0.45342%0.417SS..Hα-helixtrans-68.7-32.9174-69.7168.46.700112.1V213 S215 A216 H222V213-Q218 HydrophobicContact CG1-CB 3.21Å; V213-Q218 HydrophobicContact CG1-CG 4.39Å; S215-Q218 WeakPolarHBondContact O-CB 3.43Å; S215-Q218 PolarHBondContact O-N 3.12Å; S215-Q218 VanDerWaalsContact O-N 3.1Å; S215-Q218 WeakPolarHBondContact OG-CG 3.47Å; S215-Q218 PolarHBondContact OG-N 2.86Å; A216-Q218 VanDerWaalsContact C-N 3.32Å; A216-Q218 PolarHBondContact O-N 3.24Å; Q218-H222 WeakPolarHBondContact O-CB 3.33Å; Q218-H222 PolarHBondContact O-N 3.3Å
219L92Very high91.1Very high24 Ų2476 Ų7613%0.12643%0.433CS..Hα-helixtrans-72.4-37.4173.7-176.165.1000111.6L204 C206 V213 S215 A216 H222 N223L204-L219 HydrophobicContact CB-CB 4.2Å; L204-L219 HydrophobicContact CB-CD2 3.48Å; L204-L219 VanDerWaalsContact CB-CD2 3.48Å; L204-L219 HydrophobicContact CB-CG 4.37Å; L204-L219 HydrophobicContact CD2-CD2 4.14Å; L204-L219 HydrophobicContact CG-CD2 4.44Å; C206-L219 HydrophobicContact CB-CD1 4.07Å; V213-L219 HydrophobicContact CB-CB 4.43Å; V213-L219 HydrophobicContact CG1-CB 4.42Å; V213-L219 HydrophobicContact CG2-CD1 4.27Å; S215-L219 PolarHBondContact O-N 3.39Å; A216-L219 PolarHBondContact O-N 3.08Å; L219-H222 HydrophobicContact CD1-CB 4.38Å; L219-H222 WeakPolarHBondContact O-CB 3.44Å; L219-H222 PolarHBondContact O-N 3.15Å; L219-H222 VanDerWaalsContact O-N 3.17Å; L219-N223 WeakPolarHBondContact O-CB 3.2Å; L219-N223 PolarHBondContact O-N 3Å; L219-N223 PolarHBondContact O-ND2 3.02Å
220E90.9Very high91.2Very high133 Ų13377.9 Ų77.962%0.62144%0.443SS*.Hα-helixtrans-58-49172.2-158.473.5-99.400110.8A216 S217 H222 N223 S224A216-E220 PolarHBondContact O-N 2.87Å; S217-E220 WeakPolarHBondContact O-CB 3.47Å; S217-E220 PolarHBondContact O-N 3Å; E220-H222 VanDerWaalsContact C-N 3.3Å; E220-H222 PolarHBondContact O-N 2.87Å; E220-N223 PolarHBondContact O-N 2.92Å; E220-S224 WeakPolarHBondContact O-CB 3.34Å; E220-S224 PolarHBondContact O-N 3.46Å; E220-S224 PolarHBondContact O-OG 3.08Å
221A93.4Very high91.1Very high64 Ų6475 Ų7553%0.52943%0.434SS..Hα-helixtrans-64.4-31.9174.500000112.9S217 S224 G225S217-A221 WeakPolarHBondContact O-CB 3.45Å; S217-A221 PolarHBondContact O-N 3.37Å; A221-S224 WeakPolarHBondContact CA-OG 3.28Å; A221-S224 PolarHBondContact O-OG 3.35Å; A221-G225 PolarHBondContact O-N 2.88Å; A221-G225 VanDerWaalsContact O-N 3.14Å
222H94.6Very high91Very high43 Ų4374.8 Ų74.820%0.19943%0.43CS..Hα-helixtrans-68.6-48.1172.8173.380.7000111.7C206 C209 Q218 L219 E220 G225 H228C206-H222 WeakPolarHBondContact CB-NE2 3.42Å; C206-H222 PolarHBondContact SG-NE2 2.88Å; C209-H222 WeakPolarHBondContact CB-NE2 3.45Å; C209-H222 VanDerWaalsContact SG-CE1 3.59Å; C209-H222 PolarHBondContact SG-NE2 3.03Å; C209-H222 VanDerWaalsContact SG-NE2 3.42Å; Q218-H222 WeakPolarHBondContact O-CB 3.33Å; Q218-H222 PolarHBondContact O-N 3.3Å; L219-H222 HydrophobicContact CD1-CB 4.38Å; L219-H222 WeakPolarHBondContact O-CB 3.44Å; L219-H222 PolarHBondContact O-N 3.15Å; L219-H222 VanDerWaalsContact O-N 3.17Å; E220-H222 VanDerWaalsContact C-N 3.3Å; E220-H222 PolarHBondContact O-N 2.87Å; H222-G225 PolarHBondContact O-N 2.91Å; H222-H228 AromaticContact CD2-ND1 3.35Å; H222-H228 PolarHBondContact CD2-ND1 3.09Å; H222-H228 AromaticContact NE2-CG 3.98Å; H222-H228 AromaticContact NE2-ND1 3.14Å; H222-H228 PolarHBondContact NE2-ND1 2.8Å; H222-H228 VanDerWaalsContact NE2-ND1 3.14Å; H222-H228 WeakPolarHBondContact O-CB 3.29Å
223N91.7Very high90.8Very high59 Ų5976.9 Ų76.932%0.31643%0.43SS..Hα-helixtrans-66.6-39.9-176.6-68.9-19.7000112.2L219 E220 G225 H228L219-N223 WeakPolarHBondContact O-CB 3.2Å; L219-N223 PolarHBondContact O-N 3Å; L219-N223 PolarHBondContact O-ND2 3.02Å; E220-N223 PolarHBondContact O-N 2.92Å; N223-G225 VanDerWaalsContact C-N 3.33Å; N223-H228 PolarHBondContact O-CD2 3.43Å; N223-H228 VanDerWaalsContact O-CD2 3.3Å; N223-H228 PolarHBondContact OD1-CE1 3.13Å; N223-H228 PolarHBondContact OD1-ND1 2.87Å
224S91.6Very high90.5Very high90 Ų9079.4 Ų79.463%0.62945%0.453SS*.Hα-helixtrans-74.3-20.7174.354.20000113.6E220 A221E220-S224 WeakPolarHBondContact O-CB 3.34Å; E220-S224 PolarHBondContact O-N 3.46Å; E220-S224 PolarHBondContact O-OG 3.08Å; A221-S224 WeakPolarHBondContact CA-OG 3.28Å; A221-S224 PolarHBondContact O-OG 3.35Å
225G92.8Very high90.2Very high26 Ų2683.1 Ų83.127%0.26846%0.459SS..SBendtrans-66.1141.3-178.900000114.1A221 H222 N223 K227 H228 K229A221-G225 PolarHBondContact O-N 2.88Å; A221-G225 VanDerWaalsContact O-N 3.14Å; H222-G225 PolarHBondContact O-N 2.91Å; N223-G225 VanDerWaalsContact C-N 3.33Å; G225-K227 PolarHBondContact O-N 3.45Å; G225-H228 WeakPolarHBondContact O-CB 3.41Å; G225-H228 PolarHBondContact O-N 3.23Å; G225-K229 PolarHBondContact O-N 3.45Å
226T92.2Very high89.7Confident109 Ų10985.5 Ų85.567%0.66947%0.469SS*.Hα-helixtrans-49.5-39-175.1-37.20000113.9H228 K229 T230T226-H228 VanDerWaalsContact C-N 3.34Å; T226-H228 PolarHBondContact O-N 2.91Å; T226-K229 PolarHBondContact O-N 3.25Å; T226-T230 PolarHBondContact O-N 2.84Å; T226-T230 PolarHBondContact O-OG1 2.84Å
227K90.3Very high88.6Confident187 Ų18785.5 Ų85.581%0.81348%0.475SS*.Hα-helixtrans-63-37.7179-66.5-178.9-179.8175.90112.7G225 M231G225-K227 PolarHBondContact O-N 3.45Å; K227-M231 VanDerWaalsContact O-CG 3.3Å; K227-M231 WeakPolarHBondContact O-CG 3.44Å; K227-M231 PolarHBondContact O-N 3.12Å
228H93.1Very high87.1Confident15 Ų1586.8 Ų86.87%0.06948%0.484CS..Hα-helixtrans-74.1-47.2174.3-177.2116.3000110.5C206 H222 N223 G225 T226 T230 M231 L232C206-H228 PolarHBondContact SG-CE1 2.93Å; C206-H228 PolarHBondContact SG-ND1 2.87Å; H222-H228 AromaticContact CD2-ND1 3.35Å; H222-H228 PolarHBondContact CD2-ND1 3.09Å; H222-H228 AromaticContact NE2-CG 3.98Å; H222-H228 AromaticContact NE2-ND1 3.14Å; H222-H228 PolarHBondContact NE2-ND1 2.8Å; H222-H228 VanDerWaalsContact NE2-ND1 3.14Å; H222-H228 WeakPolarHBondContact O-CB 3.29Å; N223-H228 PolarHBondContact O-CD2 3.43Å; N223-H228 VanDerWaalsContact O-CD2 3.3Å; N223-H228 PolarHBondContact OD1-CE1 3.13Å; N223-H228 PolarHBondContact OD1-ND1 2.87Å; G225-H228 WeakPolarHBondContact O-CB 3.41Å; G225-H228 PolarHBondContact O-N 3.23Å; T226-H228 VanDerWaalsContact C-N 3.34Å; T226-H228 PolarHBondContact O-N 2.91Å; H228-T230 PolarHBondContact O-N 3.32Å; H228-M231 CarbonylContact O-C 3.48Å; H228-M231 WeakPolarHBondContact O-CB 3.44Å; H228-M231 PolarHBondContact O-N 3.37Å; H228-M231 VanDerWaalsContact O-N 3.08Å; H228-L232 WeakPolarHBondContact O-CB 3.36Å; H228-L232 PolarHBondContact O-N 3.15Å
229K91.6Very high85.1Confident118 Ų11884.7 Ų84.751%0.51349%0.488SS..Hα-helixtrans-53.2-50.7179.6-178.9173.5170.2174.90112.2G225 T226 M231 L232 E233G225-K229 PolarHBondContact O-N 3.45Å; T226-K229 PolarHBondContact O-N 3.25Å; K229-M231 VanDerWaalsContact C-N 3.34Å; K229-M231 PolarHBondContact O-N 3.05Å; K229-L232 WeakPolarHBondContact O-CB 3.18Å; K229-L232 PolarHBondContact O-N 2.79Å; K229-L232 VanDerWaalsContact O-N 3.12Å; K229-E233 WeakPolarHBondContact CE-OE1 3.24Å; K229-E233 HydrophobicContact CG-CG 4.44Å; K229-E233 IonicContact NZ-OE1 3.08Å; K229-E233 WeakPolarHBondContact O-CG 3.29Å; K229-E233 PolarHBondContact O-N 3.18Å
230T90Very high83.5Confident79 Ų7991 Ų9149%0.48553%0.528SS..Hα-helixtrans-65.2-34178.3-56.90000113.1T226 H228 E233 A234T226-T230 PolarHBondContact O-N 2.84Å; T226-T230 PolarHBondContact O-OG1 2.84Å; H228-T230 PolarHBondContact O-N 3.32Å; T230-E233 WeakPolarHBondContact CA-OE2 3.36Å; T230-A234 VanDerWaalsContact O-CB 3.29Å; T230-A234 WeakPolarHBondContact O-CB 3.46Å; T230-A234 PolarHBondContact O-N 3.42Å
231M87.4Confident81.9Confident100 Ų10091.7 Ų91.749%0.49354%0.535SS..Hα-helixtrans-68.7-33173.3-78.3-64.2-5700112.7K227 H228 K229 R235K227-M231 VanDerWaalsContact O-CG 3.3Å; K227-M231 WeakPolarHBondContact O-CG 3.44Å; K227-M231 PolarHBondContact O-N 3.12Å; H228-M231 CarbonylContact O-C 3.48Å; H228-M231 WeakPolarHBondContact O-CB 3.44Å; H228-M231 PolarHBondContact O-N 3.37Å; H228-M231 VanDerWaalsContact O-N 3.08Å; K229-M231 VanDerWaalsContact C-N 3.34Å; K229-M231 PolarHBondContact O-N 3.05Å; M231-R235 PolarHBondContact O-N 3.38Å
232L88.4Confident79.9Confident63 Ų6397.7 Ų97.733%0.3355%0.549SS..Hα-helixtrans-71.7-48.2175.1-169159.8000110.6L208 H228 K229 A234 R235 N236L208-L232 HydrophobicContact CD1-CB 3.76Å; L208-L232 HydrophobicContact CD1-CD1 3.93Å; L208-L232 HydrophobicContact CD1-CG 3.79Å; H228-L232 WeakPolarHBondContact O-CB 3.36Å; H228-L232 PolarHBondContact O-N 3.15Å; K229-L232 WeakPolarHBondContact O-CB 3.18Å; K229-L232 PolarHBondContact O-N 2.79Å; K229-L232 VanDerWaalsContact O-N 3.12Å; L232-A234 VanDerWaalsContact C-N 3.32Å; L232-A234 PolarHBondContact O-N 2.94Å; L232-R235 PolarHBondContact O-N 2.82Å; L232-N236 HydrophobicContact CD2-CB 4.46Å; L232-N236 WeakPolarHBondContact O-CB 3.44Å; L232-N236 PolarHBondContact O-N 2.76Å; L232-N236 PolarHBondContact O-OD1 3.36Å
233E86.2Confident77.8Confident95 Ų9599.3 Ų99.344%0.44457%0.57SS.*Hα-helixtrans-56.1-44.8175.2-71.2164.8159.300111.7K229 T230 R235 N236K229-E233 WeakPolarHBondContact CE-OE1 3.24Å; K229-E233 HydrophobicContact CG-CG 4.44Å; K229-E233 IonicContact NZ-OE1 3.08Å; K229-E233 WeakPolarHBondContact O-CG 3.29Å; K229-E233 PolarHBondContact O-N 3.18Å; T230-E233 WeakPolarHBondContact CA-OE2 3.36Å; E233-R235 VanDerWaalsContact C-N 3.29Å; E233-R235 PolarHBondContact O-N 2.89Å; E233-N236 PolarHBondContact O-N 2.96Å
234A85Confident75.9Confident70 Ų70104.8 Ų104.858%0.57959%0.591SS**Hα-helixtrans-66.5-25.8176.600000114T230 L232T230-A234 VanDerWaalsContact O-CB 3.29Å; T230-A234 WeakPolarHBondContact O-CB 3.46Å; T230-A234 PolarHBondContact O-N 3.42Å; L232-A234 VanDerWaalsContact C-N 3.32Å; L232-A234 PolarHBondContact O-N 2.94Å
235R82.8Confident74.5Confident178 Ų178104.6 Ų104.667%0.67259%0.588SS**Hα-helixtrans-85.1-37.3175.1178.6179.2172.8-942.4112.5L208 M231 L232 E233 G237L208-R235 VanDerWaalsContact CD2-CD 3.44Å; M231-R235 PolarHBondContact O-N 3.38Å; L232-R235 PolarHBondContact O-N 2.82Å; E233-R235 VanDerWaalsContact C-N 3.29Å; E233-R235 PolarHBondContact O-N 2.89Å; R235-G237 PolarHBondContact O-N 3.25Å
236N78.9Confident72.6Confident91 Ų91115.4 Ų115.449%0.48762%0.62SS.*Hα-helixtrans-77-4.4-173.6-77.629.9000113.4L232 E233 S238L232-N236 HydrophobicContact CD2-CB 4.46Å; L232-N236 WeakPolarHBondContact O-CB 3.44Å; L232-N236 PolarHBondContact O-N 2.76Å; L232-N236 PolarHBondContact O-OD1 3.36Å; E233-N236 PolarHBondContact O-N 2.96Å; N236-S238 VanDerWaalsContact C-N 3.26Å; N236-S238 PolarHBondContact O-N 3.42Å; N236-S238 PolarHBondContact O-OG 3.42Å
237G65.4Low70.7Confident62 Ų62113.8 Ų113.864%0.63962%0.618SS**  trans76.42.9162.400000115.9R235 G239R235-G237 PolarHBondContact O-N 3.25Å; G237-G239 VanDerWaalsContact C-N 3.27Å; G237-G239 PolarHBondContact O-N 2.93Å
238S59.8Low68.5Low120 Ų120108.3 Ų108.384%0.83962%0.615SS**  trans-83.99.4-177.8-46.90000114.6N236N236-S238 VanDerWaalsContact C-N 3.26Å; N236-S238 PolarHBondContact O-N 3.42Å; N236-S238 PolarHBondContact O-OG 3.42Å
239G50.2Low66.9Low52 Ų52114.8 Ų114.854%0.53666%0.655SS.*SBendtrans-99.9133.5174.800000112.1G237 I241G237-G239 VanDerWaalsContact C-N 3.27Å; G237-G239 PolarHBondContact O-N 2.93Å; G239-I241 PolarHBondContact O-N 3.14Å
240T57.5Low64.8Low157 Ų157119 Ų11996%0.96367%0.673SS**SBendtrans-69.218.5-179.6270000115.2
241I56.2Low63.1Low148 Ų148119 Ų11976%0.75969%0.689SS**SBendtrans-106.5131.7-175.8-57.2177.7000109.5G239 A243G239-I241 PolarHBondContact O-N 3.14Å; I241-A243 VanDerWaalsContact C-N 3.31Å; I241-A243 PolarHBondContact O-N 2.92Å
242K53.1Low60.9Low189 Ų189124.8 Ų124.882%0.82271%0.711SS**  trans-6879.9-177.7-70173177.5167.30112.2F244K242-F244 VanDerWaalsContact O-CD2 3.28Å; K242-F244 WeakPolarHBondContact O-CD2 3.17Å; K242-F244 PolarHBondContact O-N 3.44Å
243A50.4Low59.3Low78 Ų78125.1 Ų125.165%0.64573%0.729SS**  trans-69.9105.5175.600000111I241 P245I241-A243 VanDerWaalsContact C-N 3.31Å; I241-A243 PolarHBondContact O-N 2.92Å; A243-P245 VanDerWaalsContact O-CD 3.29Å; A243-P245 WeakPolarHBondContact O-CD 3.28Å
244F51.7Low57.3Low174 Ų174127 Ų12776%0.76375%0.75SS**  trans-68.2118.7177.3-71.4-98.5000110.9K242 R246K242-F244 VanDerWaalsContact O-CD2 3.28Å; K242-F244 WeakPolarHBondContact O-CD2 3.17Å; K242-F244 PolarHBondContact O-N 3.44Å; F244-R246 PolarHBondContact O-N 2.86Å; F244-R246 VanDerWaalsContact O-N 3.15Å
245P62Low55.3Low86 Ų86130.8 Ų130.856%0.55877%0.766SS**  trans-65.3116.7-179.6-20.732.1000111.6A243 A247 Q263A243-P245 VanDerWaalsContact O-CD 3.29Å; A243-P245 WeakPolarHBondContact O-CD 3.28Å; P245-A247 VanDerWaalsContact C-N 3.26Å; P245-A247 PolarHBondContact O-N 3.24Å; P245-Q263 PolarHBondContact O-NE2 3.06Å
246R51.5Low53.5Low252 Ų252129 Ų12995%0.95177%0.769SS**  trans-83.267.6-177.1-151.9179.2-154.3-136.48.9111.3F244 G248F244-R246 PolarHBondContact O-N 2.86Å; F244-R246 VanDerWaalsContact O-N 3.15Å; R246-G248 PolarHBondContact O-N 3.38Å
247A52.4Low52.1Low76 Ų76133.9 Ų133.963%0.62879%0.786SS**  trans-63.4119.4-174.800000112.4P245 L262P245-A247 VanDerWaalsContact C-N 3.26Å; P245-A247 PolarHBondContact O-N 3.24Å; A247-L262 HydrophobicContact CB-CD1 3.88Å
248G45.8Very low50.9Low71 Ų71135 Ų13573%0.73280%0.797SS**  trans-179.786.2177.800000115.4R246R246-G248 PolarHBondContact O-N 3.38Å
249V58.6Low50.1Low152 Ų152135.9 Ų135.992%0.92179%0.793SS**  trans-163.5156.5145.3134.60000108
250K46.8Very low50.2Low206 Ų206138.3 Ų138.390%0.89680%0.797SS**  trans-83.4139.4-165.2-59.5170.4-178171.80113.3
251G54.2Low49.6Very low78 Ų78134 Ų13480%0.80479%0.785SS**  trans-119.5147.3152.800000109.8
252K41.6Very low49.6Very low223 Ų223132 Ų13297%0.9778%0.775SS**  trans-101.4132.6173.8-69.5-179.3178.2178.60109.4
253G54.9Low49.6Very low69 Ų69127.9 Ų127.971%0.71176%0.759SS**  trans-160.4150.6173.600000110.9
254P45.3Very low49.6Very low136 Ų136127 Ų12788%0.88374%0.743SS**  trans-80.2170-171.732.4-35.9000114.2
255V43.1Very low50Low148 Ų148125.6 Ų125.690%0.89774%0.737SS**  trans-61.4127.1-172.6177.60000113.1
256N45.1Very low50.5Low140 Ų140124.6 Ų124.675%0.74973%0.729SS**  trans-144.3170.7149.6-150.7-15.3000110.7
257K48.5Very low51.9Low194 Ų194114.5 Ų114.584%0.84369%0.692SS**  trans-62.3145.7-163.8-69.3158.2-177.8169.70113.3
258G39.4Very low53.8Low85 Ų85114.7 Ų114.788%0.87668%0.68SS**  trans-68.1132.6-158.800000116
259N42.9Very low56.1Low140 Ų140111.6 Ų111.675%0.74965%0.647SS**  trans-123.9145.9145.680.370.7000108.8G261N259-G261 VanDerWaalsContact C-N 3.35Å; N259-G261 PolarHBondContact O-N 3.13Å; N259-G261 WeakPolarHBondContact OD1-CA 3.39Å; N259-G261 PolarHBondContact OD1-N 3.24Å
260T53.9Low57.6Low102 Ų102112 Ų11263%0.62664%0.639SS**  trans-93.267.8-178.4-50.60000109.9L262 N264T260-L262 PolarHBondContact O-N 2.82Å; T260-N264 HydrophobicContact CG2-CB 4.41Å
261G43.6Very low59.6Low68 Ų68105.8 Ų105.870%0.70162%0.615SS**THydrogen-bonded Turntrans-71.751.5-17200000116.3N259N259-G261 VanDerWaalsContact C-N 3.35Å; N259-G261 PolarHBondContact O-N 3.13Å; N259-G261 WeakPolarHBondContact OD1-CA 3.39Å; N259-G261 PolarHBondContact OD1-N 3.24Å
262L56.5Low61.3Low106 Ų106103.1 Ų103.156%0.55558%0.583SS**THydrogen-bonded Turntrans-13557.5-179.8-166.561.7000113.1A247 T260 N264A247-L262 HydrophobicContact CB-CD1 3.88Å; T260-L262 PolarHBondContact O-N 2.82Å; L262-N264 PolarHBondContact O-N 3.49Å; L262-N264 PolarHBondContact O-OD1 3.35Å
263Q52.5Low63.7Low102 Ų10297.9 Ų97.948%0.47757%0.566SS.*THydrogen-bonded Turntrans63.24.8175.8-50.1163.334.400114.8P245 K265P245-Q263 PolarHBondContact O-NE2 3.06Å; Q263-K265 VanDerWaalsContact C-N 3.31Å; Q263-K265 PolarHBondContact O-N 3.46Å
264N51.1Low65.2Low59 Ų5997.5 Ų97.532%0.31655%0.549SS..  trans-66.488.6172-60.490.8000109.6T260 L262 T266T260-N264 HydrophobicContact CG2-CB 4.41Å; L262-N264 PolarHBondContact O-N 3.49Å; L262-N264 PolarHBondContact O-OD1 3.35Å; N264-T266 PolarHBondContact O-N 3.18Å; N264-T266 PolarHBondContact O-OG1 2.89Å
265K60.7Low67.5Low145 Ų14597.2 Ų97.263%0.6354%0.536SS*.  trans-54.591.4146.245.7176.5-177.8-67.80106.6Q263 F267Q263-K265 VanDerWaalsContact C-N 3.31Å; Q263-K265 PolarHBondContact O-N 3.46Å; K265-F267 HydrophobicContact CB-CE2 4.47Å; K265-F267 HydrophobicContact CB-CZ 4.44Å; K265-F267 HydrophobicContact CD-CE1 4.36Å; K265-F267 HydrophobicContact CD-CE2 3.98Å; K265-F267 HydrophobicContact CD-CZ 3.51Å; K265-F267 HydrophobicContact CG-CE2 3.75Å; K265-F267 HydrophobicContact CG-CZ 3.79Å; K265-F267 WeakPolarHBondContact O-CD2 3.16Å; K265-F267 VanDerWaalsContact O-CE2 3.26Å; K265-F267 WeakPolarHBondContact O-CE2 3.38Å; K265-F267 PolarHBondContact O-N 3.5Å
266T72.4Confident69.7Low65 Ų6591.1 Ų91.140%0.39950%0.499SS..  trans-76.8115.8-173.7-64.50000106.1N264 H268 H275N264-T266 PolarHBondContact O-N 3.18Å; N264-T266 PolarHBondContact O-OG1 2.89Å; T266-H268 VanDerWaalsContact C-N 3.32Å; T266-H268 PolarHBondContact O-N 3.29Å; T266-H275 HydrophobicContact CG2-CB 4.08Å
267F80.6Confident71.6Confident40 Ų4090.4 Ų90.418%0.17550%0.495CS..EExtended strand (participates in β ladder)trans-81.788.1-169.6-75.3-77000108.7K265 V276 E279 L282K265-F267 HydrophobicContact CB-CE2 4.47Å; K265-F267 HydrophobicContact CB-CZ 4.44Å; K265-F267 HydrophobicContact CD-CE1 4.36Å; K265-F267 HydrophobicContact CD-CE2 3.98Å; K265-F267 HydrophobicContact CD-CZ 3.51Å; K265-F267 HydrophobicContact CG-CE2 3.75Å; K265-F267 HydrophobicContact CG-CZ 3.79Å; K265-F267 WeakPolarHBondContact O-CD2 3.16Å; K265-F267 VanDerWaalsContact O-CE2 3.26Å; K265-F267 WeakPolarHBondContact O-CE2 3.38Å; K265-F267 PolarHBondContact O-N 3.5Å; F267-V276 HydrophobicContact CB-CB 4.36Å; F267-V276 PolarHBondContact N-O 3.22Å; F267-V276 WeakPolarHBondContact O-CA 3.38Å; F267-V276 WeakPolarHBondContact O-CB 3.41Å; F267-V276 WeakPolarHBondContact O-CG2 3.36Å; F267-V276 PolarHBondContact O-N 3.21Å; F267-E279 HydrophobicContact CD1-CB 4.23Å; F267-E279 HydrophobicContact CD1-CG 4.14Å; F267-E279 HydrophobicContact CD2-CB 4.17Å; F267-E279 HydrophobicContact CE1-CB 3.73Å; F267-E279 HydrophobicContact CE1-CG 3.53Å; F267-E279 HydrophobicContact CE2-CB 3.65Å; F267-E279 HydrophobicContact CE2-CG 4.38Å; F267-E279 VanDerWaalsContact CE2-N 3.31Å; F267-E279 HydrophobicContact CG-CB 4.41Å; F267-E279 HydrophobicContact CZ-CB 3.39Å; F267-E279 HydrophobicContact CZ-CG 3.65Å; F267-L282 HydrophobicContact CB-CB 3.64Å; F267-L282 HydrophobicContact CB-CD2 3.67Å; F267-L282 HydrophobicContact CB-CG 4.18Å; F267-L282 HydrophobicContact CD1-CD2 3.98Å; F267-L282 HydrophobicContact CG-CB 4.42Å; F267-L282 HydrophobicContact CG-CD2 4.31Å
268H92.6Very high73.5Confident80 Ų8082.9 Ų82.937%0.3747%0.467SS..EExtended strand (participates in β ladder)trans-76.7139.4-179.4173.6-122.6000111.5T266 E270 H275T266-H268 VanDerWaalsContact C-N 3.32Å; T266-H268 PolarHBondContact O-N 3.29Å; H268-E270 WeakPolarHBondContact CE1-CA 3.19Å; H268-H275 AromaticContact CD2-CE1 3.42Å; H268-H275 PolarHBondContact CD2-CE1 3.42Å; H268-H275 VanDerWaalsContact CD2-CE1 3.42Å; H268-H275 AromaticContact CD2-ND1 3.74Å; H268-H275 AromaticContact CD2-NE2 3.86Å; H268-H275 AromaticContact NE2-CE1 3.95Å
269C93Very high76Confident5 Ų582.9 Ų82.93%0.03444%0.444CS..EExtended strand (participates in β ladder)trans-110.3100.1166.9178.30000110.8I271 C272 D273 V274 L282 H285 H291C269-I271 VanDerWaalsContact C-N 3.33Å; C269-I271 PolarHBondContact O-N 3.27Å; C269-C272 HydrophobicContact CB-CB 4.38Å; C269-C272 CarbonylContact O-C 3.58Å; C269-C272 PolarHBondContact O-N 3.48Å; C269-D273 WeakPolarHBondContact O-CA 3.47Å; C269-D273 PolarHBondContact O-N 3.4Å; C269-V274 PolarHBondContact N-O 2.95Å; C269-V274 PolarHBondContact O-N 2.8Å; C269-L282 HydrophobicContact CB-CD1 3.65Å; C269-H285 PolarHBondContact SG-CD2 2.83Å; C269-H285 PolarHBondContact SG-NE2 3.41Å; C269-H291 PolarHBondContact SG-CE1 3.47Å; C269-H291 PolarHBondContact SG-ND1 3.26Å
270E90.3Very high78.3Confident161 Ų16180.7 Ų80.775%0.75244%0.436SS*.THydrogen-bonded Turntrans-58.6-37-179.3-170.9170.9-166.800114.2H268 C272H268-E270 WeakPolarHBondContact CE1-CA 3.19Å; E270-C272 PolarHBondContact O-N 3.45Å
271I90.2Very high80.1Confident76 Ų7680.4 Ų80.439%0.3943%0.428SS..THydrogen-bonded Turntrans-64.7-22.7176.3-66.4161.6000111.9C269 R294 A295C269-I271 VanDerWaalsContact C-N 3.33Å; C269-I271 PolarHBondContact O-N 3.27Å; I271-R294 HydrophobicContact CG2-CB 4.22Å; I271-R294 HydrophobicContact CG2-CG 4.14Å; I271-R294 WeakPolarHBondContact O-CD 2.89Å; I271-R294 PolarHBondContact O-NH1 3.01Å; I271-A295 HydrophobicContact CD1-CB 3.93Å; I271-A295 HydrophobicContact CG2-CB 4.23Å
272C89.5Confident82.4Confident21 Ų2178.1 Ų78.114%0.14240%0.399CS..THydrogen-bonded Turntrans-124.2-4.8-172-68.10000115C269 E270 V274 H285C269-C272 HydrophobicContact CB-CB 4.38Å; C269-C272 CarbonylContact O-C 3.58Å; C269-C272 PolarHBondContact O-N 3.48Å; E270-C272 PolarHBondContact O-N 3.45Å; C272-V274 HydrophobicContact CB-CB 4.4Å; C272-V274 HydrophobicContact CB-CG2 3.84Å; C272-V274 WeakPolarHBondContact O-CG2 3.41Å; C272-V274 PolarHBondContact O-N 3.03Å; C272-V274 VanDerWaalsContact O-N 3.09Å; C272-H285 WeakPolarHBondContact CB-NE2 3.32Å; C272-H285 PolarHBondContact SG-NE2 2.85Å
273D90.7Very high84.2Confident114 Ų11478.9 Ų78.961%0.6140%0.398SS*.THydrogen-bonded Turntrans55.113.2-168.7-49.6-66.8000114.7C269 H275C269-D273 WeakPolarHBondContact O-CA 3.47Å; C269-D273 PolarHBondContact O-N 3.4Å; D273-H275 PolarHBondContact O-N 2.85Å; D273-H275 PolarHBondContact O-ND1 2.83Å; D273-H275 VanDerWaalsContact O-ND1 3.09Å
274V88.1Confident86.2Confident60 Ų6080.2 Ų80.236%0.36440%0.404SS..EExtended strand (participates in β ladder)trans-82.4120.8-174.8-178.90000110C269 C272 V276C269-V274 PolarHBondContact N-O 2.95Å; C269-V274 PolarHBondContact O-N 2.8Å; C272-V274 HydrophobicContact CB-CB 4.4Å; C272-V274 HydrophobicContact CB-CG2 3.84Å; C272-V274 WeakPolarHBondContact O-CG2 3.41Å; C272-V274 PolarHBondContact O-N 3.03Å; C272-V274 VanDerWaalsContact O-N 3.09Å; V274-V276 HydrophobicContact CG1-CG2 3.81Å
275H93Very high88.3Confident131 Ų13179.2 Ų79.261%0.60640%0.398SS*.EExtended strand (participates in β ladder)trans-91.7122.2174.2-70.961.8000110.1T266 H268 D273T266-H275 HydrophobicContact CG2-CB 4.08Å; H268-H275 AromaticContact CD2-CE1 3.42Å; H268-H275 PolarHBondContact CD2-CE1 3.42Å; H268-H275 VanDerWaalsContact CD2-CE1 3.42Å; H268-H275 AromaticContact CD2-ND1 3.74Å; H268-H275 AromaticContact CD2-NE2 3.86Å; H268-H275 AromaticContact NE2-CE1 3.95Å; D273-H275 PolarHBondContact O-N 2.85Å; D273-H275 PolarHBondContact O-ND1 2.83Å; D273-H275 VanDerWaalsContact O-ND1 3.09Å
276V89.5Confident89.9Confident20 Ų2076.1 Ų76.112%0.12139%0.387CS..EExtended strand (participates in β ladder)trans-119.2141.9-171.3-167.80000111.5F267 V274 S278 Q281 L282F267-V276 HydrophobicContact CB-CB 4.36Å; F267-V276 PolarHBondContact N-O 3.22Å; F267-V276 WeakPolarHBondContact O-CA 3.38Å; F267-V276 WeakPolarHBondContact O-CB 3.41Å; F267-V276 WeakPolarHBondContact O-CG2 3.36Å; F267-V276 PolarHBondContact O-N 3.21Å; V274-V276 HydrophobicContact CG1-CG2 3.81Å; V276-S278 VanDerWaalsContact C-N 3.35Å; V276-S278 PolarHBondContact O-N 2.96Å; V276-Q281 HydrophobicContact CG1-CB 3.25Å; V276-Q281 HydrophobicContact CG1-CG 4.4Å; V276-L282 HydrophobicContact CB-CB 4.33Å; V276-L282 HydrophobicContact CG2-CD1 4.28Å
277N84.6Confident90.9Very high125 Ų12577.5 Ų77.567%0.66840%0.399SS*.SBendtrans-80.4-10.8-171.3-161.312000114
278S89Confident91.5Very high36 Ų3677.4 Ų77.425%0.25240%0.404SS..SBendtrans-151.9153.3-179.762.60000113.2V276 T280 Q281 L282V276-S278 VanDerWaalsContact C-N 3.35Å; V276-S278 PolarHBondContact O-N 2.96Å; S278-T280 VanDerWaalsContact C-N 3.3Å; S278-T280 PolarHBondContact O-N 3.29Å; S278-T280 PolarHBondContact OG-OG1 3.39Å; S278-Q281 PolarHBondContact O-N 3.45Å; S278-Q281 WeakPolarHBondContact OG-CB 3.44Å; S278-Q281 WeakPolarHBondContact OG-CG 3.18Å; S278-Q281 PolarHBondContact OG-OE1 2.76Å; S278-L282 PolarHBondContact O-N 2.97Å
279E90.7Very high91.5Very high85 Ų8582.8 Ų82.840%0.39742%0.421SS..Hα-helixtrans-61.9-39-177.7-162.3178.4128.300112.2F267 L282 K283F267-E279 HydrophobicContact CD1-CB 4.23Å; F267-E279 HydrophobicContact CD1-CG 4.14Å; F267-E279 HydrophobicContact CD2-CB 4.17Å; F267-E279 HydrophobicContact CE1-CB 3.73Å; F267-E279 HydrophobicContact CE1-CG 3.53Å; F267-E279 HydrophobicContact CE2-CB 3.65Å; F267-E279 HydrophobicContact CE2-CG 4.38Å; F267-E279 VanDerWaalsContact CE2-N 3.31Å; F267-E279 HydrophobicContact CG-CB 4.41Å; F267-E279 HydrophobicContact CZ-CB 3.39Å; F267-E279 HydrophobicContact CZ-CG 3.65Å; E279-L282 PolarHBondContact O-N 2.64Å; E279-K283 HydrophobicContact CG-CD 4.31Å; E279-K283 WeakPolarHBondContact O-CB 3.35Å; E279-K283 WeakPolarHBondContact O-CG 3.5Å; E279-K283 PolarHBondContact O-N 3.24Å; E279-K283 WeakPolarHBondContact OE1-CE 3.35Å; E279-K283 IonicContact OE1-NZ 3.95Å; E279-K283 PolarHBondContact OE1-NZ 3.09Å
280T91.8Very high91.3Very high94 Ų9493 Ų9358%0.57746%0.459SS*.Hα-helixtrans-66-42.2178.346.60000111.5S278 K283 Q284S278-T280 VanDerWaalsContact C-N 3.3Å; S278-T280 PolarHBondContact O-N 3.29Å; S278-T280 PolarHBondContact OG-OG1 3.39Å; T280-K283 PolarHBondContact O-N 2.92Å; T280-Q284 WeakPolarHBondContact O-CB 3.26Å; T280-Q284 VanDerWaalsContact O-CG 3.28Å; T280-Q284 WeakPolarHBondContact O-CG 3.04Å; T280-Q284 PolarHBondContact O-N 3.47Å
281Q90.8Very high91.5Very high95 Ų9586 Ų8644%0.44443%0.426SS..Hα-helixtrans-67.2-35173.9-71.3169.6-30.600112.2V276 S278 H285V276-Q281 HydrophobicContact CG1-CB 3.25Å; V276-Q281 HydrophobicContact CG1-CG 4.4Å; S278-Q281 PolarHBondContact O-N 3.45Å; S278-Q281 WeakPolarHBondContact OG-CB 3.44Å; S278-Q281 WeakPolarHBondContact OG-CG 3.18Å; S278-Q281 PolarHBondContact OG-OE1 2.76Å; Q281-H285 WeakPolarHBondContact O-CB 3.2Å; Q281-H285 PolarHBondContact O-N 2.82Å
282L93.7Very high91.6Very high20 Ų2089 Ų8911%0.10544%0.436CS..Hα-helixtrans-69-43.6173.3177.767.5000111.4F267 C269 V276 S278 E279 Q284 H285 I286F267-L282 HydrophobicContact CB-CB 3.64Å; F267-L282 HydrophobicContact CB-CD2 3.67Å; F267-L282 HydrophobicContact CB-CG 4.18Å; F267-L282 HydrophobicContact CD1-CD2 3.98Å; F267-L282 HydrophobicContact CG-CB 4.42Å; F267-L282 HydrophobicContact CG-CD2 4.31Å; C269-L282 HydrophobicContact CB-CD1 3.65Å; V276-L282 HydrophobicContact CB-CB 4.33Å; V276-L282 HydrophobicContact CG2-CD1 4.28Å; S278-L282 PolarHBondContact O-N 2.97Å; E279-L282 PolarHBondContact O-N 2.64Å; L282-Q284 VanDerWaalsContact C-N 3.3Å; L282-Q284 PolarHBondContact O-N 3.02Å; L282-H285 WeakPolarHBondContact O-CA 3.48Å; L282-H285 WeakPolarHBondContact O-CB 3.46Å; L282-H285 PolarHBondContact O-N 3.1Å; L282-H285 VanDerWaalsContact O-N 3.1Å; L282-I286 HydrophobicContact CD1-CD1 3.96Å; L282-I286 HydrophobicContact CD1-CG1 4.09Å; L282-I286 HydrophobicContact CD2-CD1 4.18Å; L282-I286 HydrophobicContact CG-CD1 3.76Å; L282-I286 HydrophobicContact CG-CG1 4.28Å; L282-I286 WeakPolarHBondContact O-CG1 3.4Å; L282-I286 PolarHBondContact O-N 3.32Å
283K93.7Very high91.7Very high123 Ų12391.9 Ų91.954%0.53545%0.45SS..Hα-helixtrans-58.8-42.4174.1-76171173.3172.60111.2E279 T280 I286 S287E279-K283 HydrophobicContact CG-CD 4.31Å; E279-K283 WeakPolarHBondContact O-CB 3.35Å; E279-K283 WeakPolarHBondContact O-CG 3.5Å; E279-K283 PolarHBondContact O-N 3.24Å; E279-K283 WeakPolarHBondContact OE1-CE 3.35Å; E279-K283 IonicContact OE1-NZ 3.95Å; E279-K283 PolarHBondContact OE1-NZ 3.09Å; T280-K283 PolarHBondContact O-N 2.92Å; K283-I286 PolarHBondContact O-N 2.67Å; K283-S287 WeakPolarHBondContact O-CB 3.32Å; K283-S287 PolarHBondContact O-N 2.92Å; K283-S287 PolarHBondContact O-OG 2.77Å
284Q94.5Very high91.6Very high129 Ų12992.6 Ų92.660%0.60344%0.444SS*.Hα-helixtrans-62.1-44.5171.6-75.3173.5-16.900112.1T280 L282 S287 S288T280-Q284 WeakPolarHBondContact O-CB 3.26Å; T280-Q284 VanDerWaalsContact O-CG 3.28Å; T280-Q284 WeakPolarHBondContact O-CG 3.04Å; T280-Q284 PolarHBondContact O-N 3.47Å; L282-Q284 VanDerWaalsContact C-N 3.3Å; L282-Q284 PolarHBondContact O-N 3.02Å; Q284-S287 WeakPolarHBondContact CA-OG 3.08Å; Q284-S287 PolarHBondContact O-N 3.17Å; Q284-S287 PolarHBondContact O-OG 3.23Å; Q284-S288 PolarHBondContact O-N 3.14Å; Q284-S288 VanDerWaalsContact O-N 3.09Å
285H95.7Very high91.6Very high38 Ų3892 Ų9218%0.17645%0.446CS..Hα-helixtrans-57.9-50.4175173.389.8000111.7C269 C272 Q281 L282 S287 S288 H291C269-H285 PolarHBondContact SG-CD2 2.83Å; C269-H285 PolarHBondContact SG-NE2 3.41Å; C272-H285 WeakPolarHBondContact CB-NE2 3.32Å; C272-H285 PolarHBondContact SG-NE2 2.85Å; Q281-H285 WeakPolarHBondContact O-CB 3.2Å; Q281-H285 PolarHBondContact O-N 2.82Å; L282-H285 WeakPolarHBondContact O-CA 3.48Å; L282-H285 WeakPolarHBondContact O-CB 3.46Å; L282-H285 PolarHBondContact O-N 3.1Å; L282-H285 VanDerWaalsContact O-N 3.1Å; H285-S287 PolarHBondContact O-N 2.92Å; H285-S288 WeakPolarHBondContact O-CB 3.47Å; H285-S288 PolarHBondContact O-N 3.16Å; H285-S288 PolarHBondContact O-OG 2.83Å; H285-H291 AromaticContact CD2-ND1 3.48Å; H285-H291 PolarHBondContact CD2-ND1 3.25Å; H285-H291 AromaticContact NE2-ND1 3.26Å; H285-H291 PolarHBondContact NE2-ND1 3.48Å; H285-H291 WeakPolarHBondContact O-CB 3.46Å
286I93.9Very high91.1Very high81 Ų8189 Ų8942%0.41544%0.443SS..Hα-helixtrans-62.2-41.9179.7-67.4170.1000111.1L282 K283 S288 H291L282-I286 HydrophobicContact CD1-CD1 3.96Å; L282-I286 HydrophobicContact CD1-CG1 4.09Å; L282-I286 HydrophobicContact CD2-CD1 4.18Å; L282-I286 HydrophobicContact CG-CD1 3.76Å; L282-I286 HydrophobicContact CG-CG1 4.28Å; L282-I286 WeakPolarHBondContact O-CG1 3.4Å; L282-I286 PolarHBondContact O-N 3.32Å; K283-I286 PolarHBondContact O-N 2.67Å; I286-S288 PolarHBondContact O-N 3.3Å; I286-H291 PolarHBondContact O-CD2 2.91Å
287S93.9Very high90.1Very high93 Ų9391.1 Ų91.165%0.6547%0.47SS*.Hα-helixtrans-66.6-16.1174.573.10000114.2K283 Q284 H285K283-S287 WeakPolarHBondContact O-CB 3.32Å; K283-S287 PolarHBondContact O-N 2.92Å; K283-S287 PolarHBondContact O-OG 2.77Å; Q284-S287 WeakPolarHBondContact CA-OG 3.08Å; Q284-S287 PolarHBondContact O-N 3.17Å; Q284-S287 PolarHBondContact O-OG 3.23Å; H285-S287 PolarHBondContact O-N 2.92Å
288S92.6Very high88.9Confident38 Ų3892.5 Ų92.527%0.26647%0.47SS..SBendtrans-68.8142.7-173.5800000111.4Q284 H285 I286 R290 H291 K292Q284-S288 PolarHBondContact O-N 3.14Å; Q284-S288 VanDerWaalsContact O-N 3.09Å; H285-S288 WeakPolarHBondContact O-CB 3.47Å; H285-S288 PolarHBondContact O-N 3.16Å; H285-S288 PolarHBondContact O-OG 2.83Å; I286-S288 PolarHBondContact O-N 3.3Å; S288-R290 PolarHBondContact O-N 3.25Å; S288-R290 VanDerWaalsContact O-N 3.16Å; S288-H291 PolarHBondContact O-N 3.48Å; S288-H291 PolarHBondContact OG-N 3.28Å; S288-K292 PolarHBondContact O-N 3.21Å
289R92.5Very high87.8Confident193 Ų19395.9 Ų95.973%0.72849%0.491SS*.Hα-helixtrans-51.5-40.9175.1178.3173178173.23.9112.1H291 K292 D293R289-H291 PolarHBondContact O-N 3.44Å; R289-K292 PolarHBondContact O-N 2.97Å; R289-D293 VanDerWaalsContact CG-OD2 3.32Å; R289-D293 WeakPolarHBondContact CG-OD2 3.33Å; R289-D293 IonicContact NE-OD2 2.64Å; R289-D293 VanDerWaalsContact O-CB 3.32Å; R289-D293 WeakPolarHBondContact O-CB 3.43Å; R289-D293 PolarHBondContact O-N 3.04Å
290R89.9Confident86.3Confident220 Ų22097.4 Ų97.483%0.8351%0.508SS*.Hα-helixtrans-63.1-37.9179.3-67.2179.9-179.7-94.42.1113.3S288S288-R290 PolarHBondContact O-N 3.25Å; S288-R290 VanDerWaalsContact O-N 3.16Å
291H93.7Very high84.8Confident14 Ų14102 Ų1027%0.06552%0.52CS..Hα-helixtrans-69.9-50.1173.2175.899.9000110.2C269 H285 I286 S288 R289 D293 R294 A295C269-H291 PolarHBondContact SG-CE1 3.47Å; C269-H291 PolarHBondContact SG-ND1 3.26Å; H285-H291 AromaticContact CD2-ND1 3.48Å; H285-H291 PolarHBondContact CD2-ND1 3.25Å; H285-H291 AromaticContact NE2-ND1 3.26Å; H285-H291 PolarHBondContact NE2-ND1 3.48Å; H285-H291 WeakPolarHBondContact O-CB 3.46Å; I286-H291 PolarHBondContact O-CD2 2.91Å; S288-H291 PolarHBondContact O-N 3.48Å; S288-H291 PolarHBondContact OG-N 3.28Å; R289-H291 PolarHBondContact O-N 3.44Å; H291-D293 VanDerWaalsContact C-N 3.31Å; H291-D293 PolarHBondContact O-N 3.31Å; H291-R294 PolarHBondContact O-N 3.44Å; H291-A295 WeakPolarHBondContact O-CB 3.37Å; H291-A295 PolarHBondContact O-N 2.97Å
292K92.9Very high83.7Confident140 Ų140103.6 Ų103.661%0.60954%0.539SS*.Hα-helixtrans-58-40.8-179.6-168.5173.468.71730112.9S288 R289 R294 A295 A296S288-K292 PolarHBondContact O-N 3.21Å; R289-K292 PolarHBondContact O-N 2.97Å; K292-R294 PolarHBondContact O-N 2.79Å; K292-A295 PolarHBondContact O-N 3.42Å; K292-A296 WeakPolarHBondContact O-CB 3.44Å; K292-A296 PolarHBondContact O-N 2.87Å
293D91.1Very high81.9Confident81 Ų81112.3 Ų112.343%0.43358%0.576SS.*Hα-helixtrans-64.4-26.9177.8-69.3-18.1000112.5R289 H291R289-D293 VanDerWaalsContact CG-OD2 3.32Å; R289-D293 WeakPolarHBondContact CG-OD2 3.33Å; R289-D293 IonicContact NE-OD2 2.64Å; R289-D293 VanDerWaalsContact O-CB 3.32Å; R289-D293 WeakPolarHBondContact O-CB 3.43Å; R289-D293 PolarHBondContact O-N 3.04Å; H291-D293 VanDerWaalsContact C-N 3.31Å; H291-D293 PolarHBondContact O-N 3.31Å
294R88.6Confident79.9Confident128 Ų128116.4 Ų116.448%0.48359%0.589SS.*Hα-helixtrans-88.2-38.7173.1-166.5-165.6-91.1-156.9-2.4112.2I271 H291 K292 A296 G297I271-R294 HydrophobicContact CG2-CB 4.22Å; I271-R294 HydrophobicContact CG2-CG 4.14Å; I271-R294 WeakPolarHBondContact O-CD 2.89Å; I271-R294 PolarHBondContact O-NH1 3.01Å; H291-R294 PolarHBondContact O-N 3.44Å; K292-R294 PolarHBondContact O-N 2.79Å; R294-A296 PolarHBondContact O-N 3.09Å; R294-G297 PolarHBondContact O-N 3.09Å
295A87.6Confident78.1Confident49 Ų49113.8 Ų113.841%0.40559%0.585SS.*Hα-helixtrans-60.7-32.817600000112.2I271 H291 K292 G297I271-A295 HydrophobicContact CD1-CB 3.93Å; I271-A295 HydrophobicContact CG2-CB 4.23Å; H291-A295 WeakPolarHBondContact O-CB 3.37Å; H291-A295 PolarHBondContact O-N 2.97Å; K292-A295 PolarHBondContact O-N 3.42Å; A295-G297 PolarHBondContact O-N 3.45Å
296A83.1Confident76.5Confident66 Ų66116.5 Ų116.555%0.54561%0.606SS.*THydrogen-bonded Turntrans-72.931176.400000114.6K292 R294 K298K292-A296 WeakPolarHBondContact O-CB 3.44Å; K292-A296 PolarHBondContact O-N 2.87Å; R294-A296 PolarHBondContact O-N 3.09Å; A296-K298 PolarHBondContact O-N 3.08Å
297G68.9Low74.4Confident66 Ų66123 Ų12368%0.6863%0.627SS**THydrogen-bonded Turntrans63.77168.500000116.8R294 A295 P299R294-G297 PolarHBondContact O-N 3.09Å; A295-G297 PolarHBondContact O-N 3.45Å; G297-P299 WeakPolarHBondContact O-CD 3.24Å
298K59.5Low72Confident153 Ų153125.2 Ų125.267%0.66563%0.632SS**  trans-72.9119.4179.6-64-164.5-175.2-56.40109A296A296-K298 PolarHBondContact O-N 3.08Å
299P64.3Low69.7Low108 Ų108133 Ų13370%0.70166%0.661SS**  trans-58.8146.8179.324.7-33.9000109.6G297 K301G297-P299 WeakPolarHBondContact O-CD 3.24Å; P299-K301 PolarHBondContact O-N 3.31Å
300P60.9Low67.9Low117 Ų117131.2 Ų131.276%0.7667%0.665SS**  trans-61.8104.7-176.225.4-34000109.5
301K59.4Low66Low191 Ų191129.7 Ų129.783%0.8367%0.667SS**  trans-50.2130.4174-74.6-166.9174.1-169.60108.3P299 K303P299-K301 PolarHBondContact O-N 3.31Å; K301-K303 PolarHBondContact O-N 3.33Å
302P68.3Low63.5Low127 Ų127138.7 Ų138.783%0.82571%0.706SS**  trans-46.9129.2178.3-30.836.1000110.4Y304P302-Y304 PolarHBondContact O-N 2.81Å
303K56.2Low61Low204 Ų204137.9 Ų137.989%0.88771%0.713SS**  trans-57.6114.1-170.7-68.5176.2-176.9170.60109.1K301 S305K301-K303 PolarHBondContact O-N 3.33Å; K303-S305 PolarHBondContact O-N 3.33Å
304Y51.1Low58.8Low208 Ų208138.4 Ų138.482%0.81673%0.728SS**  trans-56.2106.7167177.2-100.8000107.9P302 P306P302-Y304 PolarHBondContact O-N 2.81Å; Y304-P306 HydrophobicContact CE1-CB 4Å; Y304-P306 VanDerWaalsContact O-CD 3.24Å; Y304-P306 WeakPolarHBondContact O-CD 3.42Å
305S56.4Low56.7Low75 Ų75142 Ų14252%0.52475%0.75SS.*  trans-93106.5174.1-176.30000108.2K303 Y307K303-S305 PolarHBondContact O-N 3.33Å; S305-Y307 PolarHBondContact O-N 2.96Å; S305-Y307 VanDerWaalsContact O-N 3.08Å; S305-Y307 PolarHBondContact OG-O 3.02Å
306P61.5Low54.8Low94 Ų94145 Ų14561%0.6177%0.765SS**SBendtrans-71.36175.330.4-35.4000113.3Y304Y304-P306 HydrophobicContact CE1-CB 4Å; Y304-P306 VanDerWaalsContact O-CD 3.24Å; Y304-P306 WeakPolarHBondContact O-CD 3.42Å
307Y49.2Very low52.9Low217 Ų217150.2 Ų150.285%0.85178%0.784SS**  trans-134.378.3170.6-85.1-84.2000110.8S305S305-Y307 PolarHBondContact O-N 2.96Å; S305-Y307 VanDerWaalsContact O-N 3.08Å; S305-Y307 PolarHBondContact OG-O 3.02Å
308N45.2Very low51.8Low140 Ų140150.8 Ų150.875%0.74979%0.789SS**  trans-147.458.6151.9-1613.2000111.1
309K44.4Very low51.3Low203 Ų203149 Ų14988%0.88379%0.791SS**  trans-96.2153158.4-89.1174.8172.5-850107.9
310L54.6Low50.3Low154 Ų154152.8 Ų152.881%0.80680%0.796SS**  trans78.953.9167.5-152.474000118.1
311Q48.7Very low49.7Very low188 Ų188154 Ų15488%0.87980%0.796SS**  trans-136.877.1142.9-75.2-161.5-500110.7
312K41.2Very low48.9Very low203 Ų203151 Ų15188%0.88379%0.793SS**  trans-153.752.8168.1-159.7172.1179.61750112.7
313T40Very low47.7Very low124 Ų124153.1 Ų153.176%0.76179%0.79SS**  trans-152.594176.743.70000110.2
314A45.1Very low47.4Very low91 Ų91149.2 Ų149.275%0.75279%0.788SS**  trans175.196.3154.500000109.8P316A314-P316 WeakPolarHBondContact O-CD 3.45Å
315H45Very low47.4Very low203 Ų203148.2 Ų148.294%0.9479%0.788SS**  trans-91.6119.4150.1-74.1-101.9000107.1
316P48.7Very low46.8Very low112 Ų112152.4 Ų152.473%0.72780%0.799SS**  trans-116.5154.615035.4-28.1000110.7A314 G318A314-P316 WeakPolarHBondContact O-CD 3.45Å; P316-G318 PolarHBondContact O-N 3.17Å
317L42.8Very low46.1Very low177 Ų177152.4 Ų152.493%0.92780%0.799SS**  trans-68124.4-176.4-61.3165.3000110.9
318G46.3Very low46Very low77 Ų77146.4 Ų146.479%0.79479%0.789SS**  trans-120.4133171.800000109.9P316P316-G318 PolarHBondContact O-N 3.17Å
319V47.9Very low46.2Very low116 Ų116149.1 Ų149.170%0.70379%0.794SS**  trans-128.4143-159.7164.50000111
320K43.8Very low46.2Very low187 Ų187144.9 Ų144.981%0.81379%0.787SS**  trans72.8150.9178-66.2161.2-179.9-177.70114.6
321L47.5Very low46Very low143 Ų143145.2 Ų145.275%0.74979%0.789SS**  cis-161.9164.8-7.5-113.2162.8000109.7
322V43.9Very low45.9Very low127 Ų127141.2 Ų141.277%0.7779%0.788SS**  trans68.1141.7150.5155.70000118.5
323F41.8Very low46Very low173 Ų173136.4 Ų136.476%0.75978%0.778SS**  cis-170.9127.8-21.8-174.5-95.1000108.9
324S50.4Low46.4Very low122 Ų122141.1 Ų141.185%0.85378%0.782SS**  trans-158.879.7173.5-79.40000114.6
325K51.8Low46.8Very low187 Ų187143.5 Ų143.581%0.81378%0.78SS**  trans31.586.7134.9-157.8169-175.8179.30119.8
326E42.7Very low47.6Very low162 Ų162141.1 Ų141.176%0.75777%0.774SS**  35.2145.198.5-135.6-101.115500118.4
327P47Very low47.5Very low94 Ų94141.4 Ų141.461%0.6178%0.775SS**  cis-134.6-158.3-27.544.7-28.8000112.9
328S46.9Very low47.7Very low92 Ų92139.5 Ų139.564%0.64377%0.766SS**  cis-166.7171.81949.30000114.6
329K48.7Very low48.4Very low196 Ų196141.2 Ų141.285%0.85276%0.763SS**  trans92.3126.7160.1-58.9-177.1-176179.80118.6
330P45.6Very low48.3Very low115 Ų115143.4 Ų143.475%0.74777%0.77SS**  trans-134.2-166.6-167.232.4-6.8000116.2
331L49.8Very low48.2Very low161 Ų161139 Ų13984%0.84377%0.769SS**  trans81.4109.6163.5-64.4127.6000120.5
332A46.4Very low47.9Very low103 Ų103136.9 Ų136.985%0.85177%0.772SS**  -175.6117.8122.400000111.5
333P44.3Very low47.7Very low103 Ų103135.6 Ų135.667%0.66977%0.774SS**  trans-126.2134.8-176.338.1-25.3000116.5
334R47.8Very low47.7Very low223 Ų223132.3 Ų132.384%0.84278%0.779SS**  trans-154139.1169-76.1-66.392.1168.57112.4
335I54.5Low47.3Very low141 Ų141131.4 Ų131.472%0.72378%0.779SS**  trans59.6127.5135.5-64.6170.6000117.6
336L60.6Low46.9Very low153 Ų153127.3 Ų127.380%0.80178%0.78SS**  cis-159.1158.40.1-107.1171.2000109.1
337P47.9Very low46.8Very low117 Ų117124.6 Ų124.676%0.7679%0.785SS**PPolyproline II helixtrans-99.9168.6172.837.5-31.3000114.8
338N46.3Very low46.6Very low138 Ų138124.7 Ų124.774%0.73879%0.794SS**PPolyproline II helixtrans-68.5139.6-171.2178.281.5000116.1
339P60.5Low46.6Very low113 Ų113127 Ų12773%0.73480%0.804SS**PPolyproline II helixtrans-88.6155.6171.336.1-34.4000113.7
340L45.4Very low46.3Very low161 Ų161122.2 Ų122.284%0.84380%0.801SS**  trans-148.9144174.4-174137.5000110.7
341A41.8Very low46.6Very low96 Ų96122.3 Ų122.379%0.79380%0.8SS**  trans70.2103.2173.900000120
342A41.2Very low46.5Very low98 Ų98119.9 Ų119.981%0.8180%0.796SS**  trans-159.6134.1134.600000106.6
343A40.8Very low46.5Very low99 Ų99120.5 Ų120.582%0.81879%0.794SS**  cis101.7122.321.800000114.5
344A41.6Very low47.1Very low105 Ų105120.3 Ų120.387%0.86879%0.793SS**  trans85.3151.6162.100000122.2
345A41.7Very low46.9Very low103 Ų103118.7 Ų118.785%0.85179%0.792SS**  trans84.2142.9158.300000121.8
346A43.3Very low46.4Very low101 Ų101116.2 Ų116.284%0.83579%0.787SS**  trans80.5104.6-176.700000116.1
347A40.6Very low45.7Very low104 Ų104116.9 Ų116.986%0.8679%0.791SS**  cis78.785.512.100000117.5
348A42.8Very low45.5Very low96 Ų96123 Ų12379%0.79380%0.799SS**  trans-159.3118.5159.600000114.3
349V46Very low45.4Very low140 Ų140123 Ų12385%0.84880%0.804SS**  trans37115141.4-168.30000121.6
350A44.2Very low44.7Very low97 Ų97122.3 Ų122.380%0.80281%0.808SS**  160.7149.5125.500000112.1
351V50.1Low45.1Very low117 Ų117120.7 Ų120.771%0.70981%0.807SS**  cis-170.5135-42.2125.60000107
352S47.8Very low44.9Very low110 Ų110120.9 Ų120.977%0.76981%0.809SS**  trans59.1152.6172.763.90000118.3
353S46.6Very low45Very low116 Ų116120.3 Ų120.381%0.81180%0.804SS**  cis-155.1166.1-12-1060000110.6
354P57.2Low45.2Very low98 Ų98121.9 Ų121.964%0.63680%0.803SS**  trans-105.2171.9-165.740.6-36.3000115.4
355F44.5Very low45.3Very low190 Ų190123.9 Ų123.983%0.83380%0.798SS**  178.6147.5118.8-102-68000115.7
356S44.3Very low45.5Very low89 Ų89128.2 Ų128.262%0.62280%0.798SS**  trans61.7113.5147.3-640000124.4
357L45.4Very low45.5Very low167 Ų167131.8 Ų131.887%0.87480%0.798SS**  48.8128.3121.4-57.3165000119
358R43.1Very low46Very low246 Ų246132 Ų13293%0.92879%0.789SS**  -179.3156.265.6-174.8172.3-175.9164.71.6111.3
359T43.6Very low46.5Very low137 Ų137133.5 Ų133.584%0.8479%0.794SS**  trans-100.7138.8178.820.80000114.3
360A47.6Very low46.8Very low99 Ų99130.4 Ų130.482%0.81878%0.782SS**  trans-167.4135.5158.100000111.4
361P53Low47.5Very low127 Ų127133.4 Ų133.483%0.82578%0.784SS**  trans-122.7139.3170.537.1-25.6000113.8
362A37.8Very low47.5Very low100 Ų100133.4 Ų133.483%0.82679%0.786SS**  trans169144.5139.100000113.3
363A42.8Very low47.5Very low86 Ų86133.9 Ų133.971%0.71179%0.787SS**  trans68.7150.6155.100000121.4
364T45Very low47.7Very low132 Ų132132.4 Ų132.481%0.8178%0.782SS**  trans78.8144163.973.60000120.6
365L43.9Very low47.4Very low146 Ų146135.9 Ų135.976%0.76479%0.794SS**  trans62.2138.4156.3-99.577.3000122.8
366F46.3Very low47.7Very low194 Ų194135.1 Ų135.185%0.85180%0.798SS**  trans-49.2146.2152-48.2-105.8000112.2
367Q43.4Very low48.5Very low177 Ų177142 Ų14283%0.82781%0.81SS**  trans-162.8137.4130.8-108.3172.324.600114.3
368T50.4Low49Very low108 Ų108139.6 Ų139.666%0.66380%0.804SS**  trans-11128.8160.41620000119.6
369S52.5Low49.3Very low128 Ų128132.3 Ų132.390%0.89580%0.797SS**  trans-79.6131.7140.853.20000109.6
370A52.4Low50Low74 Ų74131.3 Ų131.361%0.61279%0.793SS**  trans-112.4156.8-160.500000114.9
371L60.4Low50.8Low160 Ų160129.2 Ų129.284%0.83878%0.78SS**  trans71.1156.1166.1-51.6177.5000117.4
372P49.1Very low51.3Low117 Ų117129.5 Ų129.576%0.7678%0.782SS**  cis-109.3144.7-937.2-27.7000113.3A374P372-A374 PolarHBondContact O-N 2.92Å
373P49Very low52Low121 Ų121131.9 Ų131.979%0.78678%0.78SS**  trans-83.9114174.132.4-31.8000111.8
374A50.8Low52.8Low84 Ų84138.8 Ų138.869%0.69479%0.787SS**  trans-141153168.100000110.7P372P372-A374 PolarHBondContact O-N 2.92Å
375L51Low53.2Low171 Ų171138.1 Ų138.190%0.89578%0.783SS**  trans68.333.5179.8-48.6-176.6000116.8R377L375-R377 PolarHBondContact O-N 2.94Å; L375-R377 VanDerWaalsContact O-N 3.09Å
376L50.4Low53.5Low175 Ų175136 Ų13692%0.91679%0.787SS**  trans-65.2102.6147.6-79175.5000108.6
377R61Low54.1Low233 Ų233134 Ų13488%0.87978%0.78SS**  trans-127.3103.5173.1-163.4173.2-165.7143.35.2110.3L375L375-R377 PolarHBondContact O-N 2.94Å; L375-R377 VanDerWaalsContact O-N 3.09Å
378P54.4Low54.8Low116 Ų116130.6 Ų130.675%0.75377%0.772SS**  trans-76.5171.917333-34.8000111.4
379A50.2Low55.5Low93 Ų93131.5 Ų131.577%0.76978%0.779SS**  trans69.7155.717900000115.2
380P59.3Low56.1Low117 Ų117130.4 Ų130.476%0.7677%0.767SS**  cis-100.4151.52.510.411.3000114.2
381G62.9Low56.7Low54 Ų54134.9 Ų134.956%0.55778%0.78SS**  trans-75.6175.5168.700000113.2I383G381-I383 PolarHBondContact O-N 2.99Å
382P64Low56.9Low133 Ų133136.3 Ų136.386%0.86478%0.779SS**  trans-68.9101.5179.328.6-34.2000111R384P382-R384 PolarHBondContact O-N 3.33Å
383I53.5Low57.6Low150 Ų150134.8 Ų134.877%0.76978%0.777SS**  trans-64.3101.2175.4-58.5176.1000108.9G381 T385G381-I383 PolarHBondContact O-N 2.99Å; I383-T385 PolarHBondContact O-N 2.9Å
384R58Low58.8Low231 Ų231135.1 Ų135.187%0.87278%0.779SS**  trans-70.6120.6161.9-85.3-173.8159-145.7-3.5108.4P382 A386P382-R384 PolarHBondContact O-N 3.33Å; R384-A386 PolarHBondContact O-N 2.95Å
385T54.5Low59.4Low118 Ų118145.5 Ų145.572%0.72480%0.802SS**  trans-72.372.8167.638.60000110.6I383 H387I383-T385 PolarHBondContact O-N 2.9Å; T385-H387 PolarHBondContact O-N 3.34Å; T385-H387 PolarHBondContact O-ND1 3.4Å
386A50.4Low59.9Low103 Ų103144.2 Ų144.285%0.85180%0.798SS**  trans-62.5118.316400000108.5R384R384-A386 PolarHBondContact O-N 2.95Å
387H57.8Low60.4Low152 Ų152142.6 Ų142.670%0.70479%0.791SS**  trans-127.5127.5175.749.6-76.7000109.3T385T385-H387 PolarHBondContact O-N 3.34Å; T385-H387 PolarHBondContact O-ND1 3.4Å
388T59.6Low60.3Low105 Ų105137.6 Ų137.664%0.64479%0.787SS**  trans45.392.8163.256.90000117.3V390T388-V390 VanDerWaalsContact C-N 3.33Å; T388-V390 PolarHBondContact O-N 2.86Å
389P65Low60.7Low127 Ų127138.8 Ų138.883%0.82579%0.789SS**  trans-67.795.715030.7-31.2000108.4L391P389-L391 PolarHBondContact O-N 3.23Å
390V64.3Low61.3Low105 Ų105141.7 Ų141.764%0.63679%0.79SS**  trans-7793.9174.9-174.40000108.6T388 F392T388-V390 VanDerWaalsContact C-N 3.33Å; T388-V390 PolarHBondContact O-N 2.86Å; V390-F392 HydrophobicContact CG1-CD2 3.75Å; V390-F392 HydrophobicContact CG1-CE2 4.02Å; V390-F392 PolarHBondContact O-N 3.42Å; V390-F392 VanDerWaalsContact O-N 3.15Å
391L64.7Low61.5Low168 Ų168143.3 Ų143.388%0.8879%0.792SS**  trans-71.498.4167-82.6165.8000109.4P389P389-L391 PolarHBondContact O-N 3.23Å
392F65.3Low61.4Low189 Ų189149.7 Ų149.783%0.82981%0.809SS**  trans-89.7108.5154.3-98.3-81.5000108.3V390V390-F392 HydrophobicContact CG1-CD2 3.75Å; V390-F392 HydrophobicContact CG1-CE2 4.02Å; V390-F392 PolarHBondContact O-N 3.42Å; V390-F392 VanDerWaalsContact O-N 3.15Å
393A62.6Low61.2Low86 Ų86151 Ų15171%0.71180%0.804SS**  trans-71.5138.7163.500000108.9
394P76Confident61.8Low128 Ų128151.1 Ų151.183%0.83181%0.807SS**  trans-75.7141.3169.532-33000110.5
395Y63.5Low62.1Low301 Ų301143.8 Ų143.8100%1.1880%0.801SS**  trans-143.40160.2-160-75.9000107.3

Retrieved 395 of 395 residues in 321 ms (Link to these results)