A0A087XPT0_POEFO Loading...

EMI domain containing 1

AlphaFold DB , UniProt , Accession A0A087XPT0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 486 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M47.7Very low51.2Low250 Ų250124.8 Ų124.8100%1.23265%0.649SS**  091.20-63.3128.38200108.4
2G51.1Low51.8Low56 Ų56127 Ų12758%0.57765%0.65SS**  trans-127.6-7.6-164.100000117.5
3S49.4Very low52.7Low76 Ų76122.7 Ų122.753%0.53164%0.638SS.*SBendtrans-75.8-47.6-173.940.90000113.8Q5 L6S3-Q5 VanDerWaalsContact C-N 3.28Å; S3-Q5 PolarHBondContact O-N 2.78Å; S3-L6 PolarHBondContact O-N 3.3Å
4H49.1Very low53.8Low156 Ų156121.1 Ų121.172%0.72263%0.63SS**Hα-helixtrans-68.5-18.7-168.5-62.2-73.8000115.4
5Q47.8Very low54.8Low150 Ų150121.4 Ų121.470%0.70163%0.632SS**Hα-helixtrans-72-32.9179.9-14978.8-2.500112.2S3S3-Q5 VanDerWaalsContact C-N 3.28Å; S3-Q5 PolarHBondContact O-N 2.78Å
6L50.4Low55.5Low114 Ų114125.7 Ų125.760%0.59764%0.637SS**Hα-helixtrans-77.4-44.1-175.2-77.1162.1000112.2S3 A8 L9 F10S3-L6 PolarHBondContact O-N 3.3Å; L6-A8 VanDerWaalsContact C-N 3.28Å; L6-A8 PolarHBondContact O-N 3.23Å; L6-L9 PolarHBondContact O-N 3.26Å; L6-L9 VanDerWaalsContact O-N 3.13Å; L6-F10 PolarHBondContact O-N 3.37Å
7D52.5Low56.7Low90 Ų90122.1 Ų122.148%0.48162%0.623SS.*Hα-helixtrans-57.8-39.8176.3-84.9-43.1000112.6L9 F10 R11D7-L9 VanDerWaalsContact C-N 3.29Å; D7-L9 PolarHBondContact O-N 3.27Å; D7-F10 PolarHBondContact O-N 3.45Å; D7-R11 WeakPolarHBondContact O-CB 3.39Å; D7-R11 WeakPolarHBondContact O-CG 3.01Å; D7-R11 PolarHBondContact O-N 3.5Å
8A53Low57.7Low53 Ų53120.2 Ų120.244%0.43862%0.618SS.*Hα-helixtrans-66.1-31.4179.500000112.8L6 K12L6-A8 VanDerWaalsContact C-N 3.28Å; L6-A8 PolarHBondContact O-N 3.23Å; A8-K12 WeakPolarHBondContact O-CG 3.29Å
9L51.5Low58.4Low111 Ų111119.1 Ų119.158%0.58161%0.613SS**Hα-helixtrans-79-43.2174.7-69.6169.5000111.4L6 D7 R11 K12 S13L6-L9 PolarHBondContact O-N 3.26Å; L6-L9 VanDerWaalsContact O-N 3.13Å; D7-L9 VanDerWaalsContact C-N 3.29Å; D7-L9 PolarHBondContact O-N 3.27Å; L9-R11 PolarHBondContact O-N 3.31Å; L9-K12 PolarHBondContact O-N 2.79Å; L9-S13 PolarHBondContact O-N 3.4Å
10F53.9Low58.9Low142 Ų142117.8 Ų117.862%0.62361%0.606SS**Hα-helixtrans-61.3-44.1177.2-111-90.5000112.5L6 D7 K12 S13 L14L6-F10 PolarHBondContact O-N 3.37Å; D7-F10 PolarHBondContact O-N 3.45Å; F10-K12 VanDerWaalsContact C-N 3.35Å; F10-K12 PolarHBondContact O-N 3.47Å; F10-S13 PolarHBondContact O-N 3.38Å; F10-L14 WeakPolarHBondContact O-CB 3.03Å; F10-L14 PolarHBondContact O-N 3.28Å
11R57.4Low59.3Low175 Ų175117.3 Ų117.366%0.6660%0.604SS**Hα-helixtrans-64.5-36.4177.4-70.8178.5-174-1391.7112.8D7 L9 L15D7-R11 WeakPolarHBondContact O-CB 3.39Å; D7-R11 WeakPolarHBondContact O-CG 3.01Å; D7-R11 PolarHBondContact O-N 3.5Å; L9-R11 PolarHBondContact O-N 3.31Å; R11-L15 WeakPolarHBondContact O-CB 3.18Å; R11-L15 PolarHBondContact O-N 3.31Å
12K57.7Low60.1Low151 Ų151113.2 Ų113.266%0.65758%0.575SS**Hα-helixtrans-67.9-41.8173.8-75.8177.4178.9-179.30111.7A8 L9 F10 L15 W16A8-K12 WeakPolarHBondContact O-CG 3.29Å; L9-K12 PolarHBondContact O-N 2.79Å; F10-K12 VanDerWaalsContact C-N 3.35Å; F10-K12 PolarHBondContact O-N 3.47Å; K12-L15 PolarHBondContact O-N 3.42Å; K12-W16 PolarHBondContact O-N 3.41Å
13S63.4Low60.4Low71 Ų71116.4 Ų116.450%0.49758%0.576SS.*Hα-helixtrans-60.6-46.7174.7-171.20000112L9 F10 W16 T17L9-S13 PolarHBondContact O-N 3.4Å; F10-S13 PolarHBondContact O-N 3.38Å; S13-W16 PolarHBondContact O-N 3.44Å; S13-T17 PolarHBondContact O-N 3.03Å; S13-T17 PolarHBondContact O-OG1 3.14Å; S13-T17 VanDerWaalsContact O-OG1 3.12Å
14L68.1Low60.7Low100 Ų100115.5 Ų115.552%0.52457%0.57SS.*Hα-helixtrans-62-41.8175.8-88.5157.5000113.2F10 W16 T17 V18F10-L14 WeakPolarHBondContact O-CB 3.03Å; F10-L14 PolarHBondContact O-N 3.28Å; L14-W16 VanDerWaalsContact C-N 3.33Å; L14-W16 PolarHBondContact O-N 3.28Å; L14-T17 WeakPolarHBondContact CA-OG1 3.38Å; L14-T17 PolarHBondContact O-OG1 3.39Å; L14-V18 WeakPolarHBondContact O-CB 2.97Å; L14-V18 VanDerWaalsContact O-CG2 3.24Å; L14-V18 WeakPolarHBondContact O-CG2 3.42Å; L14-V18 PolarHBondContact O-N 3.47Å
15L68.3Low60.9Low126 Ų126114.2 Ų114.266%0.6657%0.566SS**Hα-helixtrans-63.5-39.2174.1-85.2162.2000112.1R11 K12 L19R11-L15 WeakPolarHBondContact O-CB 3.18Å; R11-L15 PolarHBondContact O-N 3.31Å; K12-L15 PolarHBondContact O-N 3.42Å; L15-L19 VanDerWaalsContact O-CB 3.28Å; L15-L19 WeakPolarHBondContact O-CB 3.42Å; L15-L19 PolarHBondContact O-N 3.1Å
16W67Low61Low190 Ų190114.9 Ų114.972%0.7257%0.567SS**Hα-helixtrans-70.5-42.5178.7-134.251.9000112.2K12 S13 L14 L19 I20K12-W16 PolarHBondContact O-N 3.41Å; S13-W16 PolarHBondContact O-N 3.44Å; L14-W16 VanDerWaalsContact C-N 3.33Å; L14-W16 PolarHBondContact O-N 3.28Å; W16-L19 PolarHBondContact O-N 3.39Å; W16-I20 HydrophobicContact CD2-CD1 4.34Å; W16-I20 HydrophobicContact CE3-CD1 3.98Å; W16-I20 HydrophobicContact CZ3-CD1 4.43Å; W16-I20 WeakPolarHBondContact O-CB 3.23Å; W16-I20 WeakPolarHBondContact O-CD1 3.48Å; W16-I20 VanDerWaalsContact O-CG1 3.26Å; W16-I20 WeakPolarHBondContact O-CG1 2.98Å; W16-I20 PolarHBondContact O-N 3.46Å
17T75.1Confident60.7Low65 Ų65112.9 Ų112.940%0.39957%0.567SS.*Hα-helixtrans-68.6-36.9177.153.50000112.7S13 L14 I20 L21S13-T17 PolarHBondContact O-N 3.03Å; S13-T17 PolarHBondContact O-OG1 3.14Å; S13-T17 VanDerWaalsContact O-OG1 3.12Å; L14-T17 WeakPolarHBondContact CA-OG1 3.38Å; L14-T17 PolarHBondContact O-OG1 3.39Å; T17-I20 PolarHBondContact O-N 3.47Å; T17-L21 WeakPolarHBondContact O-CB 3.31Å; T17-L21 PolarHBondContact O-N 3.5Å
18V76Confident60.7Low88 Ų88115.2 Ų115.253%0.53358%0.58SS.*Hα-helixtrans-64.5-40.4171.7169.60000111.4L14 L21 W22L14-V18 WeakPolarHBondContact O-CB 2.97Å; L14-V18 VanDerWaalsContact O-CG2 3.24Å; L14-V18 WeakPolarHBondContact O-CG2 3.42Å; L14-V18 PolarHBondContact O-N 3.47Å; V18-L21 PolarHBondContact O-N 3.28Å; V18-W22 WeakPolarHBondContact O-CB 3.06Å; V18-W22 PolarHBondContact O-N 3.38Å
19L69.6Low60.2Low99 Ų99115 Ų11552%0.51858%0.582SS.*Hα-helixtrans-68.9-38.2178.3-162.1153.8000111.7L15 W16 W22 M23L15-L19 VanDerWaalsContact O-CB 3.28Å; L15-L19 WeakPolarHBondContact O-CB 3.42Å; L15-L19 PolarHBondContact O-N 3.1Å; W16-L19 PolarHBondContact O-N 3.39Å; L19-W22 PolarHBondContact O-N 3.29Å; L19-M23 HydrophobicContact CD2-CG 4.16Å; L19-M23 VanDerWaalsContact O-CG 3.31Å; L19-M23 WeakPolarHBondContact O-CG 3.23Å; L19-M23 PolarHBondContact O-N 3.16Å
20I69.8Low60Low92 Ų92116.2 Ų116.247%0.47260%0.595SS.*Hα-helixtrans-63.4-44.1171.1-69.6163.7000111.1W16 T17 W22 M23 S24W16-I20 HydrophobicContact CD2-CD1 4.34Å; W16-I20 HydrophobicContact CE3-CD1 3.98Å; W16-I20 HydrophobicContact CZ3-CD1 4.43Å; W16-I20 WeakPolarHBondContact O-CB 3.23Å; W16-I20 WeakPolarHBondContact O-CD1 3.48Å; W16-I20 VanDerWaalsContact O-CG1 3.26Å; W16-I20 WeakPolarHBondContact O-CG1 2.98Å; W16-I20 PolarHBondContact O-N 3.46Å; T17-I20 PolarHBondContact O-N 3.47Å; I20-W22 PolarHBondContact O-N 3.34Å; I20-M23 PolarHBondContact O-N 3.43Å; I20-S24 WeakPolarHBondContact O-CB 3.46Å; I20-S24 PolarHBondContact O-N 3.32Å
21L66.2Low59.4Low108 Ų108121.3 Ų121.357%0.56561%0.61SS**Hα-helixtrans-60.2-44174.7-91.6163.7000111.9T17 V18 S24 M25T17-L21 WeakPolarHBondContact O-CB 3.31Å; T17-L21 PolarHBondContact O-N 3.5Å; V18-L21 PolarHBondContact O-N 3.28Å; L21-S24 PolarHBondContact O-N 3.49Å; L21-S24 VanDerWaalsContact O-N 3.16Å; L21-S24 PolarHBondContact O-OG 3.03Å; L21-M25 WeakPolarHBondContact O-CG 3.15Å; L21-M25 PolarHBondContact O-N 3.39Å
22W64.1Low58.2Low164 Ų164123.1 Ų123.162%0.62162%0.622SS**Hα-helixtrans-62.9-45.7177.9-166.456.4000111.7V18 L19 I20 S24 M25 F26V18-W22 WeakPolarHBondContact O-CB 3.06Å; V18-W22 PolarHBondContact O-N 3.38Å; L19-W22 PolarHBondContact O-N 3.29Å; I20-W22 PolarHBondContact O-N 3.34Å; W22-S24 VanDerWaalsContact C-N 3.28Å; W22-S24 PolarHBondContact O-N 3.47Å; W22-M25 PolarHBondContact O-N 3.08Å; W22-F26 AromaticContact CE2-CE2 3.99Å; W22-F26 HydrophobicContact CZ2-CE2 4.32Å; W22-F26 AromaticContact NE1-CE2 3.73Å; W22-F26 PolarHBondContact O-N 3.49Å
23M57.6Low57.6Low123 Ų123122.8 Ų122.861%0.60663%0.633SS**Hα-helixtrans-61.9-34.2172.9-69.4-65.1-68.300112.5L19 I20L19-M23 HydrophobicContact CD2-CG 4.16Å; L19-M23 VanDerWaalsContact O-CG 3.31Å; L19-M23 WeakPolarHBondContact O-CG 3.23Å; L19-M23 PolarHBondContact O-N 3.16Å; I20-M23 PolarHBondContact O-N 3.43Å
24S55.9Low56.2Low57 Ų57122.9 Ų122.940%0.39965%0.646SS.*Hα-helixtrans-72.8-31.4176.879.80000113.4I20 L21 W22 A27I20-S24 WeakPolarHBondContact O-CB 3.46Å; I20-S24 PolarHBondContact O-N 3.32Å; L21-S24 PolarHBondContact O-N 3.49Å; L21-S24 VanDerWaalsContact O-N 3.16Å; L21-S24 PolarHBondContact O-OG 3.03Å; W22-S24 VanDerWaalsContact C-N 3.28Å; W22-S24 PolarHBondContact O-N 3.47Å; S24-A27 WeakPolarHBondContact O-CB 3.36Å; S24-A27 PolarHBondContact O-N 3.03Å
25M52.8Low54.5Low129 Ų129126 Ų12664%0.63566%0.662SS**Hα-helixtrans-67.4-36.6176.6-71.8-88.783.700111.9L21 W22 A27L21-M25 WeakPolarHBondContact O-CG 3.15Å; L21-M25 PolarHBondContact O-N 3.39Å; W22-M25 PolarHBondContact O-N 3.08Å; M25-A27 PolarHBondContact O-N 3.38Å
26F50.1Low52.9Low164 Ų164131.2 Ų131.272%0.71967%0.674SS**THydrogen-bonded Turntrans-75.3-6.2173.9-82.3-80.4000114.2W22W22-F26 AromaticContact CE2-CE2 3.99Å; W22-F26 HydrophobicContact CZ2-CE2 4.32Å; W22-F26 AromaticContact NE1-CE2 3.73Å; W22-F26 PolarHBondContact O-N 3.49Å
27A45.6Very low51.1Low73 Ų73131.9 Ų131.960%0.60368%0.682SS**THydrogen-bonded Turntrans-88.44.3-177.400000115S24 M25 G29S24-A27 WeakPolarHBondContact O-CB 3.36Å; S24-A27 PolarHBondContact O-N 3.03Å; M25-A27 PolarHBondContact O-N 3.38Å; A27-G29 PolarHBondContact O-N 3.35Å
28N50.6Low49.1Very low139 Ų139132.2 Ų132.274%0.74370%0.699SS**  trans-76.250.3176.3-82.5-52.7000113.3
29G43.8Very low46.9Very low47 Ų47139.5 Ų139.549%0.48572%0.719SS.*  trans-100.871.4179.500000113.9A27 W31A27-G29 PolarHBondContact O-N 3.35Å; G29-W31 PolarHBondContact O-N 3.24Å
30T47.6Very low44.9Very low138 Ų138140.4 Ų140.485%0.84773%0.733SS**SBendtrans52.149.6154.163.50000119.5
31W41.3Very low43.5Very low248 Ų248141.1 Ų141.194%0.93975%0.752SS**  trans-129.694.8160.1-70.480.1000111.6G29G29-W31 PolarHBondContact O-N 3.24Å
32K31Very low41.6Very low213 Ų213139.8 Ų139.893%0.92677%0.765SS**  trans-137.3127.6162.5-98.6-170.5176.2-179.90110.9
33T45.9Very low40.2Very low145 Ų145137 Ų13789%0.8977%0.771SS**  trans-83.1139.3173.641.90000111.2
34G32.8Very low39Very low73 Ų73138.5 Ų138.575%0.75378%0.776SS**  trans-143109.1163.900000105.9
35L32.8Very low37.8Very low165 Ų165144.8 Ų144.886%0.86480%0.796SS**  70122.150.9-142.1162.6000110.6
36Y35.1Very low37.1Very low236 Ų236143.3 Ų143.393%0.92581%0.805SS**  trans-54143.5-165.6-80.1-112.6000113.8
37K29.8Very low36.2Very low203 Ų203140.2 Ų140.288%0.88381%0.81SS**  trans-128.1115.5164-163.3170.5-173.9177.40109.2
38G32.9Very low36Very low73 Ų73143 Ų14375%0.75382%0.82SS**  trans-72.9155-177.300000113.1
39Y29Very low35.2Very low241 Ų241145.6 Ų145.695%0.94583%0.827SS**  trans-75.5124.9169.5-86.6-100.2000110.2
40S27.9Very low35.2Very low118 Ų118149.6 Ų149.683%0.82584%0.842SS**  trans-112.2139.4161.9-175.70000108.2
41A39.7Very low35.1Very low106 Ų106148.5 Ų148.588%0.87684%0.84SS**  trans-76.1144.9-17900000111.7
42G28.1Very low35Very low81 Ų81144 Ų14484%0.83583%0.832SS**  trans-166.7133.3174.100000108.7
43S34.2Very low35.4Very low105 Ų105144 Ų14473%0.73483%0.828SS**  trans-106.7167.7-16787.10000114.3
44Q32.7Very low35.3Very low155 Ų155145.3 Ų145.372%0.72482%0.824SS**  trans92.9140.8151.9-91.3-173.942.800121.7
45K30.7Very low36.2Very low188 Ų188150.1 Ų150.182%0.81782%0.824SS**  trans83.1125.2158.7-71.4165.1-176.8172.30117.5
46A38.4Very low37.4Very low99 Ų99149 Ų14982%0.81881%0.812SS**  trans-90.7147.7179.700000110.8
47A30.5Very low39.1Very low99 Ų99139.8 Ų139.882%0.81878%0.779SS**  trans-128.6105.6161.700000107.4H49A47-H49 PolarHBondContact O-N 3.4Å
48T40.4Very low41.1Very low132 Ų132134.5 Ų134.581%0.8175%0.754SS**  trans-75.6104.8177.444.70000110
49H35.5Very low43.4Very low193 Ų193133.4 Ų133.489%0.89473%0.734SS**  trans-126.8106.8161.9-120.1-89.1000109A47A47-H49 PolarHBondContact O-N 3.4Å
50T41.9Very low45.8Very low130 Ų130125.7 Ų125.780%0.79871%0.714SS**  trans-88.4154.2179.140.70000111.4
51S47.2Very low48.2Very low115 Ų115124.9 Ų124.980%0.80470%0.696SS**  trans69.3123.9171.9-159.20000117.9
52I38Very low50.1Low154 Ų154124.3 Ų124.379%0.7968%0.682SS**SBendtrans166.4-16.9136.8-88.5163.8000110.6
53Y39.6Very low52.5Low213 Ų213121.7 Ų121.784%0.83565%0.65SS**  trans-103.8103.2159.9-80.1-89.5000111.2K55Y53-K55 VanDerWaalsContact C-N 3.27Å; Y53-K55 PolarHBondContact O-N 3.08Å
54Q44.7Very low54.6Low173 Ų173121.5 Ų121.581%0.80864%0.644SS**  trans-6396.7154-77.8-174.2-12.300107.2K56Q54-K56 PolarHBondContact O-N 2.76Å
55K50.9Low56.7Low173 Ų173119 Ų11975%0.75263%0.631SS**  trans-77.568.9-170.3-151.3-179.8-171.3-174.80110.1Y53 N57Y53-K55 VanDerWaalsContact C-N 3.27Å; Y53-K55 PolarHBondContact O-N 3.08Å; K55-N57 PolarHBondContact O-N 3.27Å; K55-N57 PolarHBondContact O-ND2 3.47Å; K55-N57 PolarHBondContact O-OD1 3.28Å
56K57.4Low58.8Low142 Ų142115 Ų11562%0.61762%0.622SS**  trans-59.4118.1175.9-59.1-177-179.4-178.70108Q54 W58Q54-K56 PolarHBondContact O-N 2.76Å; K56-W58 VanDerWaalsContact CB-CD1 3.41Å; K56-W58 PolarHBondContact O-N 3.44Å
57N70.6Confident60.6Low43 Ų43113.2 Ų113.223%0.2360%0.601CS.*  trans-80.456.8-164.8-60.9-64.8000113.2K55 C117 C118 F121 C126K55-N57 PolarHBondContact O-N 3.27Å; K55-N57 PolarHBondContact O-ND2 3.47Å; K55-N57 PolarHBondContact O-OD1 3.28Å; N57-C117 WeakPolarHBondContact O-CA 3.39Å; N57-C118 PolarHBondContact O-N 3.14Å; N57-C118 PolarHBondContact O-SG 3.49Å; N57-F121 HydrophobicContact CB-CB 4.27Å; N57-F121 HydrophobicContact CB-CD1 3.73Å; N57-F121 HydrophobicContact CB-CD2 4.14Å; N57-F121 HydrophobicContact CB-CE1 4.04Å; N57-F121 HydrophobicContact CB-CE2 4.46Å; N57-F121 HydrophobicContact CB-CG 3.78Å; N57-F121 HydrophobicContact CB-CZ 4.41Å; N57-F121 VanDerWaalsContact CG-CE1 3.46Å; N57-F121 VanDerWaalsContact ND2-CD1 3.26Å; N57-F121 WeakPolarHBondContact ND2-CD1 3.47Å; N57-F121 WeakPolarHBondContact ND2-CE1 3.48Å; N57-C126 HydrophobicContact CB-CB 4.21Å; N57-C126 PolarHBondContact ND2-O 3.2Å
58W72.9Confident62.7Low92 Ų92112.8 Ų112.835%0.34859%0.589SS.*EExtended strand (participates in β ladder)trans-90.8114.5177.1-60.293.2000110.5K56 W115 K116 C126K56-W58 VanDerWaalsContact CB-CD1 3.41Å; K56-W58 PolarHBondContact O-N 3.44Å; W58-W115 HydrophobicContact CB-CB 4.26Å; W58-W115 HydrophobicContact CB-CD2 4.48Å; W58-W115 HydrophobicContact CB-CE3 3.77Å; W58-W115 HydrophobicContact CD2-CB 4.39Å; W58-W115 HydrophobicContact CE3-CB 3.89Å; W58-K116 CarbonylContact C-O 3.55Å; W58-K116 WeakPolarHBondContact CA-O 3.43Å; W58-C126 VanDerWaalsContact CD2-SG 3.52Å; W58-C126 VanDerWaalsContact CE2-SG 3.52Å; W58-C126 VanDerWaalsContact CE3-SG 3.57Å; W58-C126 VanDerWaalsContact CZ2-SG 3.59Å
59C81.3Confident64.2Low49 Ų49108.6 Ų108.633%0.33157%0.565SS.*EExtended strand (participates in β ladder)trans-87.4134.6169-82.50000109.5H61 K116 C118C59-H61 PolarHBondContact O-N 2.96Å; C59-K116 PolarHBondContact N-O 3.34Å; C59-K116 PolarHBondContact O-N 3.1Å; C59-K116 VanDerWaalsContact O-N 3.09Å; C59-C118 VanDerWaalsContact CA-SG 3.59Å; C59-C118 HydrophobicContact CB-CB 4.12Å; C59-C118 WeakPolarHBondContact CB-SG 3.48Å; C59-C118 PolarHBondContact N-SG 2.87Å; C59-C118 VanDerWaalsContact SG-CA 3.59Å; C59-C118 WeakPolarHBondContact SG-CB 3.47Å; C59-C118 CovalentContact SG-SG 2.05Å; C59-C118 PolarHBondContact SG-SG 3.47Å
60P78.6Confident65.9Low80 Ų80106 Ų10652%0.51955%0.553SS.*EExtended strand (participates in β ladder)trans-75108.817629.2-31.7000109.8L113 W115P60-L113 HydrophobicContact CB-CD2 4.34Å; P60-W115 HydrophobicContact CB-CE3 4.09Å; P60-W115 HydrophobicContact CB-CH2 4.07Å; P60-W115 HydrophobicContact CB-CZ3 3.81Å; P60-W115 HydrophobicContact CG-CH2 4.49Å; P60-W115 HydrophobicContact CG-CZ3 4.13Å
61H78.9Confident67.3Low100 Ų100102.9 Ų102.946%0.46353%0.534SS..EExtended strand (participates in β ladder)trans-97.9117.7177-162-52.7000109.4C59 V63 E114 K116C59-H61 PolarHBondContact O-N 2.96Å; H61-V63 HydrophobicContact CB-CG2 4.48Å; H61-V63 PolarHBondContact O-N 3.47Å; H61-E114 WeakPolarHBondContact CA-O 3.26Å; H61-E114 WeakPolarHBondContact CB-O 3.46Å; H61-E114 PolarHBondContact N-O 3Å; H61-E114 PolarHBondContact O-N 3.36Å; H61-K116 HydrophobicContact CB-CD 4.12Å; H61-K116 HydrophobicContact CB-CG 4.41Å
62T79.9Confident68.3Low95 Ų95103 Ų10358%0.58352%0.521SS*.EExtended strand (participates in β ladder)trans-68.3124.3167.742.80000109L113T62-L113 HydrophobicContact CG2-CD2 3.64Å
63V78.3Confident69.6Low25 Ų25101 Ų10115%0.15251%0.512CS..EExtended strand (participates in β ladder)trans-122.4111178.4-177.30000108.5H61 K65 S112 E114H61-V63 HydrophobicContact CB-CG2 4.48Å; H61-V63 PolarHBondContact O-N 3.47Å; V63-K65 HydrophobicContact CG1-CD 4.49Å; V63-K65 HydrophobicContact CG1-CG 4.07Å; V63-S112 PolarHBondContact N-O 3.2Å; V63-S112 PolarHBondContact O-N 3.21Å; V63-S112 PolarHBondContact O-OG 2.76Å; V63-E114 HydrophobicContact CB-CG 4.15Å; V63-E114 HydrophobicContact CG2-CB 3.95Å; V63-E114 HydrophobicContact CG2-CG 3.96Å; V63-E114 WeakPolarHBondContact CG2-OE2 3.3Å
64T77.6Confident70.8Confident101 Ų10192.8 Ų92.862%0.6249%0.493SS*.EExtended strand (participates in β ladder)trans-91102.7-176.555.80000109.3T111T64-T111 HydrophobicContact CG2-CG2 3.89Å
65K76.6Confident71.6Confident102 Ų10289.2 Ų89.244%0.44348%0.483SS..EExtended strand (participates in β ladder)trans-102.6122.6179.7-64.4-178.9-174.2170.60110.1V63 V67 V110 E114V63-K65 HydrophobicContact CG1-CD 4.49Å; V63-K65 HydrophobicContact CG1-CG 4.07Å; K65-V67 PolarHBondContact O-N 2.99Å; K65-V110 PolarHBondContact N-O 3.41Å; K65-V110 PolarHBondContact O-N 2.83Å; K65-E114 VanDerWaalsContact CE-OE1 3.24Å; K65-E114 WeakPolarHBondContact CE-OE1 3.41Å; K65-E114 IonicContact NZ-OE1 3.89Å; K65-E114 PolarHBondContact NZ-OE1 2.79Å
66T75.5Confident72Confident104 Ų10485.3 Ų85.364%0.63847%0.469SS*.EExtended strand (participates in β ladder)trans-76.7103.1172.147.20000109.7T109T66-T109 HydrophobicContact CG2-CG2 4.02Å
67V77.1Confident72.2Confident62 Ų6284.4 Ų84.438%0.37647%0.47SS..EExtended strand (participates in β ladder)trans-89.4128.2176-176.30000109.4K65 C69 R108 V110K65-V67 PolarHBondContact O-N 2.99Å; V67-C69 PolarHBondContact O-N 3.12Å; V67-R108 PolarHBondContact N-O 3.43Å; V67-R108 PolarHBondContact O-N 2.99Å; V67-V110 HydrophobicContact CB-CG2 4.31Å; V67-V110 HydrophobicContact CG2-CB 4.17Å; V67-V110 HydrophobicContact CG2-CG2 3.72Å
68T74.4Confident71.8Confident91 Ų9186.6 Ų86.656%0.55848%0.479SS*.EExtended strand (participates in β ladder)trans-86.6100.7174.648.60000110.4V105 Y107T68-V105 HydrophobicContact CG2-CG1 4.48Å; T68-Y107 HydrophobicContact CG2-CD1 3.78Å; T68-Y107 HydrophobicContact CG2-CE1 3.61Å
69C71.1Confident71.3Confident44 Ų4491.3 Ų91.330%0.29750%0.497SS..EExtended strand (participates in β ladder)trans-91.3116.3174.2-600000109.9V67 V71 V106V67-C69 PolarHBondContact O-N 3.12Å; C69-V71 HydrophobicContact CB-CG2 4.27Å; C69-V71 PolarHBondContact O-N 3.42Å; C69-V106 WeakPolarHBondContact CB-O 3.44Å; C69-V106 PolarHBondContact N-O 3.16Å; C69-V106 PolarHBondContact O-N 3.27Å
70Q71.9Confident70.3Confident137 Ų13791.1 Ų91.164%0.6449%0.494SS*.EExtended strand (participates in β ladder)trans-81.1102.1168.6-71.6-176.4-2.700109.2Y103 V105Q70-Y103 HydrophobicContact CB-CD1 4.09Å; Q70-V105 HydrophobicContact CG-CG2 4.38Å
71V70.4Confident69.4Low66 Ų6695 Ų9540%0.450%0.499SS..EExtended strand (participates in β ladder)trans-96.6123.8179.9-175.60000108.7C69 N73 K104 V106C69-V71 HydrophobicContact CB-CG2 4.27Å; C69-V71 PolarHBondContact O-N 3.42Å; V71-N73 PolarHBondContact O-N 3.09Å; V71-K104 PolarHBondContact N-O 3.13Å; V71-K104 PolarHBondContact O-N 3.03Å; V71-V106 HydrophobicContact CB-CG2 4.2Å; V71-V106 HydrophobicContact CG2-CB 4.12Å; V71-V106 HydrophobicContact CG2-CG2 3.85Å
72Q69.6Low68.5Low117 Ų11794.9 Ų94.955%0.54750%0.499SS..EExtended strand (participates in β ladder)trans-67.4121.2171.3-72.5-177.7-14.700109.4P101 S102 Y103Q72-P101 HydrophobicContact CG-CB 4.46Å; Q72-S102 WeakPolarHBondContact CA-O 3.05Å; Q72-Y103 HydrophobicContact CG-CD1 3.62Å; Q72-Y103 HydrophobicContact CG-CE1 3.36Å; Q72-Y103 HydrophobicContact CG-CG 4.48Å; Q72-Y103 PolarHBondContact NE2-OH 3.45Å; Q72-Y103 VanDerWaalsContact NE2-OH 3.12Å
73N63.6Low67.5Low112 Ų11296.7 Ų96.760%0.59951%0.511SS*.EExtended strand (participates in β ladder)trans-107.728-177.8-160.794.5000111.3V71 S102 K104V71-N73 PolarHBondContact O-N 3.09Å; N73-S102 PolarHBondContact N-O 3.44Å; N73-K104 HydrophobicContact CB-CB 4.23Å
74G65.3Low66.4Low41 Ų4198 Ų9842%0.42352%0.52SS..EExtended strand (participates in β ladder)trans109164.2-174.200000113.8S102G74-S102 WeakPolarHBondContact O-CB 3.47Å; G74-S102 PolarHBondContact O-N 3.21Å; G74-S102 PolarHBondContact O-OG 3.4Å
75T62.1Low65.3Low98 Ų98104.3 Ų104.360%0.60153%0.532SS*.EExtended strand (participates in β ladder)trans-98.5127.8176.737.20000110.2V99 P101T75-V99 HydrophobicContact CG2-CG1 3.88Å; T75-P101 HydrophobicContact CG2-CB 4.35Å
76I59.5Low63.6Low90 Ų90110 Ų11046%0.46255%0.551SS.*EExtended strand (participates in β ladder)trans-100.1128.717756.1169.5000110.6Q78 R100I76-Q78 PolarHBondContact O-N 2.95Å; I76-R100 HydrophobicContact CG1-CB 4.21Å; I76-R100 VanDerWaalsContact CG1-O 3.26Å; I76-R100 WeakPolarHBondContact CG1-O 3.5Å; I76-R100 PolarHBondContact N-O 3.28Å; I76-R100 PolarHBondContact O-N 3.49Å
77L61.2Low62.4Low123 Ų123110.1 Ų110.164%0.64455%0.554SS**EExtended strand (participates in β ladder)trans-81.390.8173.6-93.8161.6000109.7T97 V99L77-T97 HydrophobicContact CD2-CG2 4.1Å; L77-V99 HydrophobicContact CD2-CG2 3.64Å; L77-V99 HydrophobicContact CG-CG2 4.19Å
78Q62.8Low61.3Low89 Ų89115.5 Ų115.542%0.41658%0.575SS.*EExtended strand (participates in β ladder)trans-90112.5177.3-167.5175.75.300110I76 V80 V98 R100I76-Q78 PolarHBondContact O-N 2.95Å; Q78-V80 HydrophobicContact CG-CG2 4.2Å; Q78-V80 PolarHBondContact O-N 3.03Å; Q78-V98 PolarHBondContact N-O 3.42Å; Q78-V98 PolarHBondContact O-N 3.5Å; Q78-R100 VanDerWaalsContact CD-NH1 3.32Å
79R61.8Low60.4Low191 Ų191114.4 Ų114.472%0.72158%0.581SS**EExtended strand (participates in β ladder)trans-69122.8167-66.7-178.7-177.31780.9108.6T97R79-T97 HydrophobicContact CG-CG2 3.94Å
80V60.8Low59.7Low46 Ų46115.6 Ų115.628%0.27959%0.589SS.*EExtended strand (participates in β ladder)trans-120128.3178.8-1760000108.5Q78 Q82 K96 V98Q78-V80 HydrophobicContact CG-CG2 4.2Å; Q78-V80 PolarHBondContact O-N 3.03Å; V80-Q82 PolarHBondContact O-N 3.48Å; V80-K96 PolarHBondContact N-O 3.41Å; V80-K96 PolarHBondContact O-N 3.33Å; V80-V98 HydrophobicContact CB-CG2 4.22Å; V80-V98 HydrophobicContact CG2-CB 4.2Å; V80-V98 HydrophobicContact CG2-CG2 3.83Å
81Y59.5Low58.9Low160 Ų160114.4 Ų114.463%0.62760%0.596SS**EExtended strand (participates in β ladder)trans-63.7128.7171.6-61.8-87.1000110T83 F95Y81-T83 PolarHBondContact O-N 3.45Å; Y81-T83 VanDerWaalsContact O-N 3.17Å; Y81-F95 HydrophobicContact CD1-CD1 4.12Å; Y81-F95 AromaticContact CD1-CE1 3.9Å; Y81-F95 HydrophobicContact CD1-CE1 3.9Å; Y81-F95 AromaticContact CE1-CD1 3.91Å; Y81-F95 HydrophobicContact CE1-CD1 3.91Å; Y81-F95 AromaticContact CE1-CE1 3.26Å; Y81-F95 HydrophobicContact CE1-CE1 3.26Å; Y81-F95 AromaticContact CE1-CZ 3.96Å; Y81-F95 HydrophobicContact CE1-CZ 3.96Å; Y81-F95 AromaticContact CZ-CE1 3.74Å
82Q60.4Low58.5Low99 Ų99115.2 Ų115.246%0.46362%0.618SS.*  trans-78.1102.1171.4-66.9-173.8-108.800110V80 C84 S94 K96V80-Q82 PolarHBondContact O-N 3.48Å; Q82-C84 PolarHBondContact O-N 3.12Å; Q82-C84 VanDerWaalsContact O-N 3.14Å; Q82-S94 PolarHBondContact N-O 3.02Å; Q82-S94 VanDerWaalsContact N-O 3.15Å; Q82-K96 HydrophobicContact CG-CB 3.9Å
83T58.7Low57.9Low133 Ų133112.4 Ų112.482%0.81662%0.62SS**  trans33.366.7157.652.40000116.4Y81 R85Y81-T83 PolarHBondContact O-N 3.45Å; Y81-T83 VanDerWaalsContact O-N 3.17Å; T83-R85 PolarHBondContact O-N 2.99Å; T83-R85 VanDerWaalsContact O-N 3.09Å
84C54.5Low57.5Low51 Ų51109.9 Ų109.935%0.34561%0.611SS.*  trans-63.2108.4167.1-56.70000109.9Q82 W86 C90Q82-C84 PolarHBondContact O-N 3.12Å; Q82-C84 VanDerWaalsContact O-N 3.14Å; C84-W86 PolarHBondContact O-N 3.49Å; C84-C90 WeakPolarHBondContact CA-SG 3.4Å; C84-C90 HydrophobicContact CB-CB 4.17Å; C84-C90 WeakPolarHBondContact CB-SG 3.37Å; C84-C90 WeakPolarHBondContact SG-CB 3.28Å; C84-C90 CovalentContact SG-SG 2.03Å; C84-C90 PolarHBondContact SG-SG 3.46Å
85R55.1Low57.3Low235 Ų235112.7 Ų112.789%0.88761%0.612SS**  trans-83.997176.8-162172.4-168.6159.61.9108.8T83T83-R85 PolarHBondContact O-N 2.99Å; T83-R85 VanDerWaalsContact O-N 3.09Å
86W39.6Very low57.2Low221 Ų221113.8 Ų113.884%0.83761%0.609SS**THydrogen-bonded Turntrans-48.9145.1174.2-97.374.6000111.3C84C84-W86 PolarHBondContact O-N 3.49Å
87P50.1Low57.4Low107 Ų107113.5 Ų113.570%0.69561%0.611SS**THydrogen-bonded Turncis-106.6-7.724.138.7-36000117.2
88Q55.6Low57.7Low175 Ų175109.6 Ų109.682%0.81859%0.592SS**SBendtrans-86.7121.1178.9-64.4-166.90.500110.1
89G55.7Low58Low67 Ų67109.3 Ų109.369%0.69160%0.596SS**  trans-65.4146.9-169.700000113.4S91G89-S91 PolarHBondContact O-N 2.94Å
90C55.2Low58.4Low69 Ų69105.1 Ų105.147%0.46658%0.581SS.*  trans-61.2109.3174.1-83.90000111.1C84C84-C90 WeakPolarHBondContact CA-SG 3.4Å; C84-C90 HydrophobicContact CB-CB 4.17Å; C84-C90 WeakPolarHBondContact CB-SG 3.37Å; C84-C90 WeakPolarHBondContact SG-CB 3.28Å; C84-C90 CovalentContact SG-SG 2.03Å; C84-C90 PolarHBondContact SG-SG 3.46Å
91S55.5Low58.5Low112 Ų112105.4 Ų105.478%0.78358%0.583SS**  trans-58143.6159.443.10000109.9G89 G93G89-S91 PolarHBondContact O-N 2.94Å; S91-G93 PolarHBondContact O-N 3.37Å
92G61.3Low58.8Low83 Ų8399.4 Ų99.486%0.85657%0.565SS**THydrogen-bonded Turntrans-64131.3-164.900000113.8
93G57.1Low59.2Low58 Ų58100.4 Ų100.460%0.59857%0.565SS**THydrogen-bonded Turntrans156.6-36.5169.300000115.3S91 F95S91-G93 PolarHBondContact O-N 3.37Å; G93-F95 VanDerWaalsContact C-N 3.32Å; G93-F95 PolarHBondContact O-N 3.17Å
94S56.6Low59.5Low59 Ų59100.2 Ų100.241%0.41355%0.553SS.*  trans-8267.1-169.1-155.50000114.7Q82Q82-S94 PolarHBondContact N-O 3.02Å; Q82-S94 VanDerWaalsContact N-O 3.15Å
95F59.8Low60.5Low101 Ų101100.9 Ų100.944%0.44356%0.555SS.*EExtended strand (participates in β ladder)trans-104.7108.7173.8-57.5-91.8000110.8Y81 G93Y81-F95 HydrophobicContact CD1-CD1 4.12Å; Y81-F95 AromaticContact CD1-CE1 3.9Å; Y81-F95 HydrophobicContact CD1-CE1 3.9Å; Y81-F95 AromaticContact CE1-CD1 3.91Å; Y81-F95 HydrophobicContact CE1-CD1 3.91Å; Y81-F95 AromaticContact CE1-CE1 3.26Å; Y81-F95 HydrophobicContact CE1-CE1 3.26Å; Y81-F95 AromaticContact CE1-CZ 3.96Å; Y81-F95 HydrophobicContact CE1-CZ 3.96Å; Y81-F95 AromaticContact CZ-CE1 3.74Å; G93-F95 VanDerWaalsContact C-N 3.32Å; G93-F95 PolarHBondContact O-N 3.17Å
96K60.4Low61.3Low121 Ų12191.9 Ų91.953%0.52653%0.526SS..EExtended strand (participates in β ladder)trans-85.8118.2171.3-170.5164-175.1168.90110.1V80 Q82 V98V80-K96 PolarHBondContact N-O 3.41Å; V80-K96 PolarHBondContact O-N 3.33Å; Q82-K96 HydrophobicContact CG-CB 3.9Å; K96-V98 HydrophobicContact CG-CG2 4.23Å; K96-V98 PolarHBondContact O-N 3.41Å
97T63.9Low63Low84 Ų8489.2 Ų89.252%0.51552%0.517SS..EExtended strand (participates in β ladder)trans-71103.1168.332.40000109.6L77 R79L77-T97 HydrophobicContact CD2-CG2 4.1Å; R79-T97 HydrophobicContact CG-CG2 3.94Å
98V68.3Low64.1Low40 Ų4092 Ų9224%0.24251%0.514CS..EExtended strand (participates in β ladder)trans-97.2107.8173.6-173.20000108.2Q78 V80 K96 R100Q78-V98 PolarHBondContact N-O 3.42Å; Q78-V98 PolarHBondContact O-N 3.5Å; V80-V98 HydrophobicContact CB-CG2 4.22Å; V80-V98 HydrophobicContact CG2-CB 4.2Å; V80-V98 HydrophobicContact CG2-CG2 3.83Å; K96-V98 HydrophobicContact CG-CG2 4.23Å; K96-V98 PolarHBondContact O-N 3.41Å; V98-R100 HydrophobicContact CG1-CG 3.85Å; V98-R100 PolarHBondContact O-N 2.91Å
99V69Low65.1Low83 Ų8388.6 Ų88.650%0.50351%0.505SS..EExtended strand (participates in β ladder)trans-68.2111.7168.5-176.10000107.7T75 L77T75-V99 HydrophobicContact CG2-CG1 3.88Å; L77-V99 HydrophobicContact CD2-CG2 3.64Å; L77-V99 HydrophobicContact CG-CG2 4.19Å
100R68.3Low66.2Low104 Ų10489 Ų8939%0.39250%0.495SS..EExtended strand (participates in β ladder)trans-108.9122.2174.4-68.5-166.7168.3102.74.1109.6I76 Q78 V98 S102I76-R100 HydrophobicContact CG1-CB 4.21Å; I76-R100 VanDerWaalsContact CG1-O 3.26Å; I76-R100 WeakPolarHBondContact CG1-O 3.5Å; I76-R100 PolarHBondContact N-O 3.28Å; I76-R100 PolarHBondContact O-N 3.49Å; Q78-R100 VanDerWaalsContact CD-NH1 3.32Å; V98-R100 HydrophobicContact CG1-CG 3.85Å; V98-R100 PolarHBondContact O-N 2.91Å; R100-S102 PolarHBondContact O-N 3.05Å
101P64.3Low67.4Low51 Ų5190.5 Ų90.533%0.33150%0.502SS..EExtended strand (participates in β ladder)trans-61.6125.9169.322.4-30000109.7Q72 T75 Y103Q72-P101 HydrophobicContact CG-CB 4.46Å; T75-P101 HydrophobicContact CG2-CB 4.35Å; P101-Y103 HydrophobicContact CB-CE2 3.88Å; P101-Y103 HydrophobicContact CG-CE2 3.66Å; P101-Y103 WeakPolarHBondContact O-CD2 3.01Å; P101-Y103 PolarHBondContact O-N 3.15Å
102S66.1Low68.6Low35 Ų3587.2 Ų87.225%0.24548%0.478CS..EExtended strand (participates in β ladder)trans-87.2109.7177.368.70000109.6Q72 N73 G74 R100Q72-S102 WeakPolarHBondContact CA-O 3.05Å; N73-S102 PolarHBondContact N-O 3.44Å; G74-S102 WeakPolarHBondContact O-CB 3.47Å; G74-S102 PolarHBondContact O-N 3.21Å; G74-S102 PolarHBondContact O-OG 3.4Å; R100-S102 PolarHBondContact O-N 3.05Å
103Y67.3Low69.5Low119 Ų11988.7 Ų88.747%0.46747%0.466SS..EExtended strand (participates in β ladder)trans-93115.3177.5-61.9-88.8000109.8Q70 Q72 P101Q70-Y103 HydrophobicContact CB-CD1 4.09Å; Q72-Y103 HydrophobicContact CG-CD1 3.62Å; Q72-Y103 HydrophobicContact CG-CE1 3.36Å; Q72-Y103 HydrophobicContact CG-CG 4.48Å; Q72-Y103 PolarHBondContact NE2-OH 3.45Å; Q72-Y103 VanDerWaalsContact NE2-OH 3.12Å; P101-Y103 HydrophobicContact CB-CE2 3.88Å; P101-Y103 HydrophobicContact CG-CE2 3.66Å; P101-Y103 WeakPolarHBondContact O-CD2 3.01Å; P101-Y103 PolarHBondContact O-N 3.15Å
104K66.9Low70.7Confident129 Ų12988.5 Ų88.556%0.56145%0.45SS*.EExtended strand (participates in β ladder)trans-86.1118.6167.1-169.5172.5-175.7175.80108.1V71 N73 V106V71-K104 PolarHBondContact N-O 3.13Å; V71-K104 PolarHBondContact O-N 3.03Å; N73-K104 HydrophobicContact CB-CB 4.23Å; K104-V106 HydrophobicContact CG-CG2 4.21Å; K104-V106 PolarHBondContact O-N 3.48Å
105V75.1Confident71.7Confident65 Ų6593.2 Ų93.239%0.39446%0.458SS..EExtended strand (participates in β ladder)trans-70.8112.5170.1-176.30000107.8T68 Q70 Y107T68-V105 HydrophobicContact CG2-CG1 4.48Å; Q70-V105 HydrophobicContact CG-CG2 4.38Å; V105-Y107 HydrophobicContact CG1-CD2 4.44Å; V105-Y107 HydrophobicContact CG1-CE1 4.27Å; V105-Y107 HydrophobicContact CG1-CE2 3.88Å
106V72.3Confident72.7Confident46 Ų4692.3 Ų92.328%0.27945%0.454SS..EExtended strand (participates in β ladder)trans-109.2112.3176.1-177.90000107.9C69 V71 K104 R108C69-V106 WeakPolarHBondContact CB-O 3.44Å; C69-V106 PolarHBondContact N-O 3.16Å; C69-V106 PolarHBondContact O-N 3.27Å; V71-V106 HydrophobicContact CB-CG2 4.2Å; V71-V106 HydrophobicContact CG2-CB 4.12Å; V71-V106 HydrophobicContact CG2-CG2 3.85Å; K104-V106 HydrophobicContact CG-CG2 4.21Å; K104-V106 PolarHBondContact O-N 3.48Å; V106-R108 HydrophobicContact CG1-CG 4.23Å; V106-R108 PolarHBondContact O-N 3.43Å
107Y73.6Confident73.7Confident165 Ų16588.4 Ų88.465%0.64744%0.442SS*.EExtended strand (participates in β ladder)trans-75.9122.8172.8-57.4-91.4000108.7T68 V105T68-Y107 HydrophobicContact CG2-CD1 3.78Å; T68-Y107 HydrophobicContact CG2-CE1 3.61Å; V105-Y107 HydrophobicContact CG1-CD2 4.44Å; V105-Y107 HydrophobicContact CG1-CE1 4.27Å; V105-Y107 HydrophobicContact CG1-CE2 3.88Å
108R74.2Confident74.4Confident166 Ų16685.6 Ų85.663%0.62643%0.426SS*.EExtended strand (participates in β ladder)trans-119.2120.4171.8-72.5-169.5170.3-163.6-2.2109.5V67 V106 V110V67-R108 PolarHBondContact N-O 3.43Å; V67-R108 PolarHBondContact O-N 2.99Å; V106-R108 HydrophobicContact CG1-CG 4.23Å; V106-R108 PolarHBondContact O-N 3.43Å; R108-V110 PolarHBondContact O-N 3.1Å
109T75.8Confident74.8Confident103 Ų10389.7 Ų89.763%0.63245%0.453SS*.EExtended strand (participates in β ladder)trans-73.9108.517145.20000109.3T66T66-T109 HydrophobicContact CG2-CG2 4.02Å
110V79.5Confident74.8Confident77 Ų7788.9 Ų88.947%0.46746%0.462SS..EExtended strand (participates in β ladder)trans-95.9122171.7-178.30000108K65 V67 R108K65-V110 PolarHBondContact N-O 3.41Å; K65-V110 PolarHBondContact O-N 2.83Å; V67-V110 HydrophobicContact CB-CG2 4.31Å; V67-V110 HydrophobicContact CG2-CB 4.17Å; V67-V110 HydrophobicContact CG2-CG2 3.72Å; R108-V110 PolarHBondContact O-N 3.1Å
111T81.2Confident74.8Confident100 Ų10086.6 Ų86.661%0.61346%0.455SS*.EExtended strand (participates in β ladder)trans-102.799-178.1610000109.6T64T64-T111 HydrophobicContact CG2-CG2 3.89Å
112S79.1Confident75Confident42 Ų4286.9 Ų86.929%0.29446%0.458SS..EExtended strand (participates in β ladder)trans-97.9139.7177.9520000111.1V63 E114V63-S112 PolarHBondContact N-O 3.2Å; V63-S112 PolarHBondContact O-N 3.21Å; V63-S112 PolarHBondContact O-OG 2.76Å; S112-E114 PolarHBondContact O-N 2.71Å
113L80.1Confident75.2Confident115 Ų11587.9 Ų87.960%0.60247%0.473SS*.EExtended strand (participates in β ladder)trans-79.9110.8165.9-74.2165.5000108.8P60 T62P60-L113 HydrophobicContact CB-CD2 4.34Å; T62-L113 HydrophobicContact CG2-CD2 3.64Å
114E82.4Confident75.1Confident53 Ų5389.1 Ų89.125%0.24849%0.494CS..EExtended strand (participates in β ladder)trans-99.2129.1169.1-68.9-176.9177.200108.9H61 V63 K65 S112 K116H61-E114 WeakPolarHBondContact CA-O 3.26Å; H61-E114 WeakPolarHBondContact CB-O 3.46Å; H61-E114 PolarHBondContact N-O 3Å; H61-E114 PolarHBondContact O-N 3.36Å; V63-E114 HydrophobicContact CB-CG 4.15Å; V63-E114 HydrophobicContact CG2-CB 3.95Å; V63-E114 HydrophobicContact CG2-CG 3.96Å; V63-E114 WeakPolarHBondContact CG2-OE2 3.3Å; K65-E114 VanDerWaalsContact CE-OE1 3.24Å; K65-E114 WeakPolarHBondContact CE-OE1 3.41Å; K65-E114 IonicContact NZ-OE1 3.89Å; K65-E114 PolarHBondContact NZ-OE1 2.79Å; S112-E114 PolarHBondContact O-N 2.71Å; E114-K116 WeakPolarHBondContact OE2-CE 3.47Å; E114-K116 IonicContact OE2-NZ 3.78Å; E114-K116 PolarHBondContact OE2-NZ 3.25Å
115W78Confident75.3Confident158 Ų15886.2 Ų86.260%0.59849%0.493SS*.EExtended strand (participates in β ladder)trans-80.2125.9172-65.796.6000109.3W58 P60W58-W115 HydrophobicContact CB-CB 4.26Å; W58-W115 HydrophobicContact CB-CD2 4.48Å; W58-W115 HydrophobicContact CB-CE3 3.77Å; W58-W115 HydrophobicContact CD2-CB 4.39Å; W58-W115 HydrophobicContact CE3-CB 3.89Å; P60-W115 HydrophobicContact CB-CE3 4.09Å; P60-W115 HydrophobicContact CB-CH2 4.07Å; P60-W115 HydrophobicContact CB-CZ3 3.81Å; P60-W115 HydrophobicContact CG-CH2 4.49Å; P60-W115 HydrophobicContact CG-CZ3 4.13Å
116K80.2Confident74.9Confident82 Ų8283.2 Ų83.236%0.35748%0.475SS..EExtended strand (participates in β ladder)trans-131.1156177.4-67.8179.9-178.4167.60109.8W58 C59 H61 E114 C118W58-K116 CarbonylContact C-O 3.55Å; W58-K116 WeakPolarHBondContact CA-O 3.43Å; C59-K116 PolarHBondContact N-O 3.34Å; C59-K116 PolarHBondContact O-N 3.1Å; C59-K116 VanDerWaalsContact O-N 3.09Å; H61-K116 HydrophobicContact CB-CD 4.12Å; H61-K116 HydrophobicContact CB-CG 4.41Å; E114-K116 WeakPolarHBondContact OE2-CE 3.47Å; E114-K116 IonicContact OE2-NZ 3.78Å; E114-K116 PolarHBondContact OE2-NZ 3.25Å; K116-C118 PolarHBondContact O-N 2.03Å
117C81.4Confident74.6Confident40 Ų4082.7 Ų82.727%0.2748%0.48SS..EExtended strand (participates in β ladder)trans-60.1137.4174.6-54.50000110.5N57 F121 C126N57-C117 WeakPolarHBondContact O-CA 3.39Å; C117-F121 HydrophobicContact CB-CB 4.25Å; C117-F121 VanDerWaalsContact CB-O 3.26Å; C117-F121 WeakPolarHBondContact CB-O 3.41Å; C117-C126 WeakPolarHBondContact CA-SG 3.37Å; C117-C126 HydrophobicContact CB-CB 3.64Å; C117-C126 WeakPolarHBondContact CB-SG 3.37Å; C117-C126 WeakPolarHBondContact SG-CA 3.44Å; C117-C126 WeakPolarHBondContact SG-CB 3.44Å; C117-C126 CovalentContact SG-SG 2.04Å; C117-C126 PolarHBondContact SG-SG 3.09Å
118C80.3Confident73.9Confident25 Ų2582.4 Ų82.417%0.16948%0.484CS..PPolyproline II helixtrans-63.1155.6173.8-63.10000110.7N57 C59 K116 G120 F121N57-C118 PolarHBondContact O-N 3.14Å; N57-C118 PolarHBondContact O-SG 3.49Å; C59-C118 VanDerWaalsContact CA-SG 3.59Å; C59-C118 HydrophobicContact CB-CB 4.12Å; C59-C118 WeakPolarHBondContact CB-SG 3.48Å; C59-C118 PolarHBondContact N-SG 2.87Å; C59-C118 VanDerWaalsContact SG-CA 3.59Å; C59-C118 WeakPolarHBondContact SG-CB 3.47Å; C59-C118 CovalentContact SG-SG 2.05Å; C59-C118 PolarHBondContact SG-SG 3.47Å; K116-C118 PolarHBondContact O-N 2.03Å; C118-G120 PolarHBondContact O-N 3.3Å; C118-F121 HydrophobicContact CB-CD2 4.05Å; C118-F121 HydrophobicContact CB-CE2 4.5Å; C118-F121 PolarHBondContact O-N 3.18Å; C118-F121 VanDerWaalsContact O-N 3.07Å
119P75.1Confident72.8Confident125 Ų12578.4 Ų78.481%0.81248%0.475SS*.THydrogen-bonded Turntrans-54.4129.8178.6-25.835.2000112
120G68.9Low71.7Confident67 Ų6779.5 Ų79.569%0.69148%0.484SS*.THydrogen-bonded Turntrans96-7.3-175.100000115.6C118C118-G120 PolarHBondContact O-N 3.3Å
121F68.9Low70.3Confident56 Ų5678.6 Ų78.625%0.24649%0.49CS..EExtended strand (participates in β ladder)trans-116.9141.6-179.5-58.3-98.2000111N57 C117 C118 C126 G127 E128N57-F121 HydrophobicContact CB-CB 4.27Å; N57-F121 HydrophobicContact CB-CD1 3.73Å; N57-F121 HydrophobicContact CB-CD2 4.14Å; N57-F121 HydrophobicContact CB-CE1 4.04Å; N57-F121 HydrophobicContact CB-CE2 4.46Å; N57-F121 HydrophobicContact CB-CG 3.78Å; N57-F121 HydrophobicContact CB-CZ 4.41Å; N57-F121 VanDerWaalsContact CG-CE1 3.46Å; N57-F121 VanDerWaalsContact ND2-CD1 3.26Å; N57-F121 WeakPolarHBondContact ND2-CD1 3.47Å; N57-F121 WeakPolarHBondContact ND2-CE1 3.48Å; C117-F121 HydrophobicContact CB-CB 4.25Å; C117-F121 VanDerWaalsContact CB-O 3.26Å; C117-F121 WeakPolarHBondContact CB-O 3.41Å; C118-F121 HydrophobicContact CB-CD2 4.05Å; C118-F121 HydrophobicContact CB-CE2 4.5Å; C118-F121 PolarHBondContact O-N 3.18Å; C118-F121 VanDerWaalsContact O-N 3.07Å; F121-C126 HydrophobicContact CB-CB 4.44Å; F121-G127 CarbonylContact C-O 3.52Å; F121-G127 VanDerWaalsContact CA-O 3.26Å; F121-G127 WeakPolarHBondContact CA-O 3.39Å; F121-G127 WeakPolarHBondContact CB-O 3.45Å; F121-E128 HydrophobicContact CD1-CG 3.77Å; F121-E128 HydrophobicContact CE1-CG 3.36Å; F121-E128 HydrophobicContact CZ-CG 4.35Å
122S69.4Low68.7Low56 Ų5680.9 Ų80.939%0.39250%0.499SS..EExtended strand (participates in β ladder)trans-139.2180-174.899.10000113.3C126 G127 D129S122-C126 CarbonylContact O-C 3.55Å; S122-C126 WeakPolarHBondContact O-CA 3.4Å; S122-G127 PolarHBondContact N-O 2.82Å; S122-G127 PolarHBondContact O-N 3.36Å; S122-D129 VanDerWaalsContact CB-OD2 3.26Å; S122-D129 WeakPolarHBondContact CB-OD2 3.47Å; S122-D129 PolarHBondContact OG-OD2 3.08Å
123G68.6Low67.2Low56 Ų5687.1 Ų87.158%0.57753%0.528SS*.THydrogen-bonded Turntrans74.2173.9-179.500000115A125 C126G123-A125 PolarHBondContact O-N 3.27Å; G123-A125 VanDerWaalsContact O-N 3.12Å; G123-C126 PolarHBondContact O-N 3.47Å
124T67.1Low65.1Low146 Ų14685.8 Ų85.890%0.89653%0.534SS*.THydrogen-bonded Turntrans-66.3-13.3-173.149.80000114.9
125A71.1Confident62.9Low67 Ų6788.5 Ų88.555%0.55455%0.554SS**THydrogen-bonded Turntrans-110.9-1.417800000114.1G123G123-A125 PolarHBondContact O-N 3.27Å; G123-A125 VanDerWaalsContact O-N 3.12Å
126C66Low61Low2 Ų286.1 Ų86.11%0.01457%0.567CS.*THydrogen-bonded Turntrans54.755.8-168.3-54.10000112.8N57 W58 C117 F121 S122 G123N57-C126 HydrophobicContact CB-CB 4.21Å; N57-C126 PolarHBondContact ND2-O 3.2Å; W58-C126 VanDerWaalsContact CD2-SG 3.52Å; W58-C126 VanDerWaalsContact CE2-SG 3.52Å; W58-C126 VanDerWaalsContact CE3-SG 3.57Å; W58-C126 VanDerWaalsContact CZ2-SG 3.59Å; C117-C126 WeakPolarHBondContact CA-SG 3.37Å; C117-C126 HydrophobicContact CB-CB 3.64Å; C117-C126 WeakPolarHBondContact CB-SG 3.37Å; C117-C126 WeakPolarHBondContact SG-CA 3.44Å; C117-C126 WeakPolarHBondContact SG-CB 3.44Å; C117-C126 CovalentContact SG-SG 2.04Å; C117-C126 PolarHBondContact SG-SG 3.09Å; F121-C126 HydrophobicContact CB-CB 4.44Å; S122-C126 CarbonylContact O-C 3.55Å; S122-C126 WeakPolarHBondContact O-CA 3.4Å; G123-C126 PolarHBondContact O-N 3.47Å
127G66Low58.8Low36 Ų3689.9 Ų89.937%0.37159%0.586SS.*EExtended strand (participates in β ladder)trans-78163.8174.300000112.2F121 S122F121-G127 CarbonylContact C-O 3.52Å; F121-G127 VanDerWaalsContact CA-O 3.26Å; F121-G127 WeakPolarHBondContact CA-O 3.39Å; F121-G127 WeakPolarHBondContact CB-O 3.45Å; S122-G127 PolarHBondContact N-O 2.82Å; S122-G127 PolarHBondContact O-N 3.36Å
128E58Low56.6Low159 Ų15996.2 Ų96.274%0.74361%0.612SS**EExtended strand (participates in β ladder)trans-71.1132.4170.4-71.6174.2165.600109.6F121 P130F121-E128 HydrophobicContact CD1-CG 3.77Å; F121-E128 HydrophobicContact CE1-CG 3.36Å; F121-E128 HydrophobicContact CZ-CG 4.35Å; E128-P130 WeakPolarHBondContact O-CD 3.28Å
129D51.9Low54.1Low81 Ų8199.9 Ų99.943%0.43364%0.644SS.*  trans-94.8105.7177.5-137.9-40.7000108.4S122 G131S122-D129 VanDerWaalsContact CB-OD2 3.26Å; S122-D129 WeakPolarHBondContact CB-OD2 3.47Å; S122-D129 PolarHBondContact OG-OD2 3.08Å; D129-G131 PolarHBondContact O-N 2.7Å
130P51.8Low52.1Low126 Ų12699.3 Ų99.382%0.81864%0.638SS**THydrogen-bonded Turntrans-71.71.6-170.630-36.4000113.9E128E128-P130 WeakPolarHBondContact O-CD 3.28Å
131G51Low50.3Low58 Ų58107.6 Ų107.660%0.59865%0.648SS**THydrogen-bonded Turntrans-82-9.5-172.900000116.8D129D129-G131 PolarHBondContact O-N 2.7Å
132N46.9Very low48.5Very low148 Ų148116.7 Ų116.779%0.79168%0.681SS**SBendtrans-120.945.4-169.8-75.8-56.6000114.6
133L47.9Very low46.5Very low174 Ų174118.7 Ų118.791%0.91170%0.701SS**SBendtrans-126.621.1173.4-148.976.5000115.2
134A35.4Very low45Very low87 Ų87121.9 Ų121.972%0.71971%0.714SS**SBendtrans-163.9144.7164.500000109.9
135V36.9Very low43.1Very low110 Ų110120 Ų12067%0.66771%0.713SS**  cis-154.5153.2-16.6113.20000107.3Q137V135-Q137 VanDerWaalsContact C-N 3.34Å; V135-Q137 HydrophobicContact CG1-CB 3.73Å; V135-Q137 PolarHBondContact O-N 2.97Å
136A39.1Very low41.4Very low107 Ų107125 Ų12588%0.88473%0.73SS**  trans-81.575.3173.700000111.3
137Q33.9Very low39.8Very low161 Ų161136.8 Ų136.875%0.75277%0.774SS**  trans-152.5110.1172.9-106.7156.8-18.900113.5V135V135-Q137 VanDerWaalsContact C-N 3.34Å; V135-Q137 HydrophobicContact CG1-CB 3.73Å; V135-Q137 PolarHBondContact O-N 2.97Å
138E34.8Very low38Very low174 Ų174146.1 Ų146.181%0.81380%0.798SS**  trans17.5106.1137.6-145.463.7-145.900119.5
139A27.6Very low37.3Very low101 Ų101144.2 Ų144.284%0.83580%0.799SS**  trans-155.8128.2157.600000112.3
140V32.8Very low36.5Very low113 Ų113146.5 Ų146.569%0.68582%0.819SS**  trans-116.6115.8-173.6173.60000112.4
141R31.9Very low35.7Very low242 Ų242145 Ų14591%0.91382%0.818SS**  trans-175.4168.6139.7-106.3162.5-179.686.9-3.2115.9
142R30.8Very low34.9Very low246 Ų246153.7 Ų153.793%0.92883%0.832SS**  trans-69.6172.1176-74.8179174.1169.3-2.4111.7
143A27.4Very low34.2Very low98 Ų98153 Ų15381%0.8183%0.833SS**  cis-154.4175.530.700000116.2
144S35.6Very low33.7Very low124 Ų124148.4 Ų148.487%0.86783%0.828SS**  trans-84.5152.5-171.5-38.70000114.7
145A28.7Very low33.4Very low106 Ų106154 Ų15488%0.87684%0.84SS**  trans-130.2135.5158.100000109.8
146L35.7Very low33.2Very low173 Ų173153.4 Ų153.491%0.90685%0.846SS**  trans-115.3127.8-172.4-169.985.7000110.7
147R30.8Very low32.9Very low248 Ų248156.8 Ų156.894%0.93685%0.849SS**  trans-149.5148.3162.5-115.9176.8-176.9-176.60.4112.6
148R29.5Very low33.5Very low233 Ų233154.8 Ų154.888%0.87985%0.852SS**PPolyproline II helixtrans-100.6161.5178.5-86.9-176.8-179.5164.41111.2
149P43.1Very low33.8Very low118 Ų118151.4 Ų151.477%0.76685%0.848SS**PPolyproline II helixtrans-89.1162-169.136.2-37.6000114.1
150P34.7Very low34.3Very low129 Ų129152.5 Ų152.584%0.83885%0.848SS**PPolyproline II helixtrans-88158.7155.936.5-31.6000111.4
151A36Very low34.9Very low96 Ų96154.9 Ų154.979%0.79386%0.856SS**  trans-125.9133.2172.900000111.1
152R33.4Very low36Very low240 Ų240148.2 Ų148.291%0.90684%0.839SS**  trans171.8150.3171.5-103.5171.5-170.5-148.51106.7
153T32Very low37.1Very low132 Ų132140.7 Ų140.781%0.8182%0.823SS**  cis-158.3158.7-22.44.20000105.1
154G36.6Very low38.4Very low79 Ų79139.4 Ų139.481%0.81481%0.808SS**  trans-74.5155.4-171.500000115.5
155E30.5Very low39.3Very low204 Ų204142.4 Ų142.495%0.95380%0.8SS**  trans-130.5157159.9-100.5-176.716600109.7
156A32.4Very low40.8Very low98 Ų98143.1 Ų143.181%0.8179%0.788SS**  trans-99139.5-163.400000113.9
157L33.1Very low42.3Very low178 Ų178139 Ų13993%0.93277%0.77SS**  trans-80116.7170.4-76.9165.6000110.6
158S44.9Very low43.7Very low118 Ų118129.4 Ų129.483%0.82574%0.744SS**  trans-93.2104.5-178.545.40000112.3
159S41.9Very low45.3Very low104 Ų104124 Ų12473%0.72773%0.732SS**  trans-145.259.817367.60000112.4L161S159-L161 PolarHBondContact O-N 2.93Å
160C37.7Very low46.6Very low124 Ų124121.1 Ų121.184%0.83871%0.714SS**  trans-74.988.5-175.1-66.60000113.4N162C160-N162 PolarHBondContact O-N 3.15Å; C160-N162 VanDerWaalsContact O-N 3.08Å
161L46.7Very low48.5Very low163 Ų163121.5 Ų121.585%0.85371%0.705SS**  trans-80.481.5169.1-76.1172.8000112.2S159 C163S159-L161 PolarHBondContact O-N 2.93Å; L161-C163 PolarHBondContact O-N 3.17Å
162N53.7Low50Low102 Ų102124 Ų12455%0.54570%0.698SS.*  trans45.358.7151.9-152-9.4000117.7C160 S164C160-N162 PolarHBondContact O-N 3.15Å; C160-N162 VanDerWaalsContact O-N 3.08Å; N162-S164 PolarHBondContact O-N 2.86Å; N162-S164 PolarHBondContact OD1-OG 3.39Å
163C54.1Low51.9Low87 Ų87117.9 Ų117.959%0.58868%0.683SS**THydrogen-bonded Turntrans-58.9-17.1178.9-540000115.1L161 R165 I166 T167L161-C163 PolarHBondContact O-N 3.17Å; C163-R165 PolarHBondContact O-N 3.46Å; C163-I166 WeakPolarHBondContact O-CB 3.49Å; C163-I166 PolarHBondContact O-N 2.86Å; C163-T167 PolarHBondContact O-N 3.18Å
164S54.8Low53.6Low72 Ų72116 Ų11650%0.50367%0.667SS.*Hα-helixtrans-58.2-29.6-176.169.90000114.6N162 T167N162-S164 PolarHBondContact O-N 2.86Å; N162-S164 PolarHBondContact OD1-OG 3.39Å; S164-T167 PolarHBondContact O-OG1 3.41Å; S164-T167 VanDerWaalsContact O-OG1 3.07Å
165R54.4Low55.5Low186 Ų186115.1 Ų115.170%0.70265%0.649SS**Hα-helixtrans-78.3-23.3177.3-70.2-172.8173.8-170.1-1.7112.9C163 L169C163-R165 PolarHBondContact O-N 3.46Å; R165-L169 WeakPolarHBondContact O-CB 3.5Å; R165-L169 WeakPolarHBondContact O-CD1 3.35Å; R165-L169 VanDerWaalsContact O-CG 3.24Å; R165-L169 WeakPolarHBondContact O-CG 3.26Å; R165-L169 PolarHBondContact O-N 3.46Å; R165-L169 VanDerWaalsContact O-N 3.17Å
166I60.3Low57.1Low121 Ų121110.7 Ų110.762%0.62163%0.632SS**Hα-helixtrans-77.1-42.4-177.8-58.9175.7000109.9C163 L169 S170C163-I166 WeakPolarHBondContact O-CB 3.49Å; C163-I166 PolarHBondContact O-N 2.86Å; I166-L169 PolarHBondContact O-N 3.41Å; I166-S170 PolarHBondContact O-N 3.27Å
167T67Low59Low88 Ų88111.2 Ų111.254%0.5462%0.617SS.*Hα-helixtrans-62-48174500000111.7C163 S164 L169 S170 E171C163-T167 PolarHBondContact O-N 3.18Å; S164-T167 PolarHBondContact O-OG1 3.41Å; S164-T167 VanDerWaalsContact O-OG1 3.07Å; T167-L169 PolarHBondContact O-N 3.3Å; T167-S170 WeakPolarHBondContact O-CB 3.47Å; T167-S170 PolarHBondContact O-N 3.2Å; T167-E171 PolarHBondContact O-N 3.3Å
168A61.3Low60.7Low46 Ų46105.1 Ų105.138%0.3859%0.593SS.*Hα-helixtrans-64.4-24.3178.400000114.2K172A168-K172 WeakPolarHBondContact O-CG 3.35Å
169L61.8Low61.7Low118 Ų118105.9 Ų105.962%0.61858%0.581SS**Hα-helixtrans-80.4-35.9170.4-75.7169.5000112R165 I166 T167 K172 L173R165-L169 WeakPolarHBondContact O-CB 3.5Å; R165-L169 WeakPolarHBondContact O-CD1 3.35Å; R165-L169 VanDerWaalsContact O-CG 3.24Å; R165-L169 WeakPolarHBondContact O-CG 3.26Å; R165-L169 PolarHBondContact O-N 3.46Å; R165-L169 VanDerWaalsContact O-N 3.17Å; I166-L169 PolarHBondContact O-N 3.41Å; T167-L169 PolarHBondContact O-N 3.3Å; L169-K172 PolarHBondContact O-N 3.36Å; L169-L173 PolarHBondContact O-N 2.92Å
170S71.8Confident62.7Low58 Ų58104.8 Ų104.841%0.40657%0.57SS.*Hα-helixtrans-63.2-43.6175.5-1640000112.2I166 T167 K172 L173 N174I166-S170 PolarHBondContact O-N 3.27Å; T167-S170 WeakPolarHBondContact O-CB 3.47Å; T167-S170 PolarHBondContact O-N 3.2Å; S170-K172 VanDerWaalsContact C-N 3.33Å; S170-K172 PolarHBondContact O-N 3.26Å; S170-L173 WeakPolarHBondContact O-CB 3.44Å; S170-L173 PolarHBondContact O-N 2.85Å; S170-N174 VanDerWaalsContact O-CG 3.27Å; S170-N174 PolarHBondContact O-N 3.21Å; S170-N174 PolarHBondContact O-OD1 3.21Å
171E73.3Confident63.8Low138 Ų138104.3 Ų104.365%0.64556%0.555SS**Hα-helixtrans-62.5-39.2175.5-69179136.400112.3T167 N174 S175T167-E171 PolarHBondContact O-N 3.3Å; E171-N174 PolarHBondContact O-N 2.99Å; E171-S175 WeakPolarHBondContact O-CB 3.43Å; E171-S175 PolarHBondContact O-N 3.42Å
172K69.1Low64.5Low148 Ų148103.5 Ų103.564%0.64355%0.551SS**Hα-helixtrans-66.4-37.3174.2-74.5-176.8177.6-172.10112.4A168 L169 S170 S175 L176A168-K172 WeakPolarHBondContact O-CG 3.35Å; L169-K172 PolarHBondContact O-N 3.36Å; S170-K172 VanDerWaalsContact C-N 3.33Å; S170-K172 PolarHBondContact O-N 3.26Å; K172-S175 PolarHBondContact O-N 3.41Å; K172-L176 PolarHBondContact O-N 3.07Å
173L72.4Confident64.5Low112 Ų112105.9 Ų105.959%0.58656%0.563SS**Hα-helixtrans-63.8-48.8175.2-165.173.5000110.9L169 S170 S175 L176 E177L169-L173 PolarHBondContact O-N 2.92Å; S170-L173 WeakPolarHBondContact O-CB 3.44Å; S170-L173 PolarHBondContact O-N 2.85Å; L173-S175 VanDerWaalsContact C-N 3.3Å; L173-S175 PolarHBondContact O-N 2.88Å; L173-L176 WeakPolarHBondContact O-CB 3.4Å; L173-L176 PolarHBondContact O-N 3.39Å; L173-L176 VanDerWaalsContact O-N 3.15Å; L173-E177 PolarHBondContact O-N 3.36Å
174N68.5Low64.2Low91 Ų91106.5 Ų106.549%0.48756%0.564SS.*Hα-helixtrans-62.9-36.4178.2-64.1-2.6000112S170 E171 E177 A178S170-N174 VanDerWaalsContact O-CG 3.27Å; S170-N174 PolarHBondContact O-N 3.21Å; S170-N174 PolarHBondContact O-OD1 3.21Å; E171-N174 PolarHBondContact O-N 2.99Å; N174-E177 PolarHBondContact O-N 3.36Å; N174-A178 WeakPolarHBondContact O-CB 3.41Å; N174-A178 PolarHBondContact O-N 3.17Å
175S74.9Confident63.8Low62 Ų62106.5 Ų106.543%0.43457%0.568SS.*Hα-helixtrans-66.6-37.5174.6-172.80000112.8E171 K172 L173 K179E171-S175 WeakPolarHBondContact O-CB 3.43Å; E171-S175 PolarHBondContact O-N 3.42Å; K172-S175 PolarHBondContact O-N 3.41Å; L173-S175 VanDerWaalsContact C-N 3.3Å; L173-S175 PolarHBondContact O-N 2.88Å; S175-K179 WeakPolarHBondContact O-CG 3.42Å; S175-K179 PolarHBondContact O-N 3.12Å
176L64.2Low63.6Low111 Ų111103.2 Ų103.258%0.58157%0.571SS**Hα-helixtrans-66.7-44.1172.1-91.5155.4000111.5K172 L173 K179 V180K172-L176 PolarHBondContact O-N 3.07Å; L173-L176 WeakPolarHBondContact O-CB 3.4Å; L173-L176 PolarHBondContact O-N 3.39Å; L173-L176 VanDerWaalsContact O-N 3.15Å; L176-K179 PolarHBondContact O-N 3.1Å; L176-V180 WeakPolarHBondContact O-CG2 3.39Å; L176-V180 PolarHBondContact O-N 3.18Å
177E73.1Confident62.8Low109 Ų109101.1 Ų101.151%0.50958%0.58SS.*Hα-helixtrans-61.9-44.6178.6-170.4170.8178.100112L173 N174 K179 V180 Q181L173-E177 PolarHBondContact O-N 3.36Å; N174-E177 PolarHBondContact O-N 3.36Å; E177-K179 VanDerWaalsContact C-N 3.32Å; E177-K179 PolarHBondContact O-N 2.98Å; E177-V180 PolarHBondContact O-N 3Å; E177-V180 VanDerWaalsContact O-N 3.17Å; E177-Q181 WeakPolarHBondContact O-CG 3.45Å; E177-Q181 PolarHBondContact O-N 3.09Å
178A68.3Low61.6Low50 Ų50102.1 Ų102.141%0.41359%0.59SS.*Hα-helixtrans-60.6-37.9174.600000113N174 Q181 L182N174-A178 WeakPolarHBondContact O-CB 3.41Å; N174-A178 PolarHBondContact O-N 3.17Å; A178-Q181 PolarHBondContact O-N 2.86Å; A178-L182 PolarHBondContact O-N 2.85Å; A178-L182 VanDerWaalsContact O-N 3.15Å
179K66.9Low60.6Low133 Ų133105.7 Ų105.758%0.57861%0.608SS**Hα-helixtrans-68.8-37.9174.4-74.7177.1178.8-177.50112.4S175 L176 E177 L182 L183S175-K179 WeakPolarHBondContact O-CG 3.42Å; S175-K179 PolarHBondContact O-N 3.12Å; L176-K179 PolarHBondContact O-N 3.1Å; E177-K179 VanDerWaalsContact C-N 3.32Å; E177-K179 PolarHBondContact O-N 2.98Å; K179-L182 PolarHBondContact O-N 2.82Å; K179-L183 WeakPolarHBondContact O-CG 3.24Å; K179-L183 PolarHBondContact O-N 2.82Å
180V63.5Low59.2Low81 Ų81105.8 Ų105.849%0.49162%0.618SS.*Hα-helixtrans-66.1-38.3174.5170.80000111.3L176 E177 L183 T184L176-V180 WeakPolarHBondContact O-CG2 3.39Å; L176-V180 PolarHBondContact O-N 3.18Å; E177-V180 PolarHBondContact O-N 3Å; E177-V180 VanDerWaalsContact O-N 3.17Å; V180-L183 CarbonylContact O-C 2.88Å; V180-L183 PolarHBondContact O-N 3.49Å; V180-T184 HydrophobicContact CG1-CG2 4.38Å; V180-T184 WeakPolarHBondContact O-CB 3.31Å; V180-T184 PolarHBondContact O-N 2.69Å; V180-T184 PolarHBondContact O-OG1 3.3Å
181Q60.3Low57.4Low115 Ų115111.1 Ų111.154%0.53764%0.636SS.*Hα-helixtrans-63-42174.9-71.1178.215.600112.1E177 A178 L183 T184 A185E177-Q181 WeakPolarHBondContact O-CG 3.45Å; E177-Q181 PolarHBondContact O-N 3.09Å; A178-Q181 PolarHBondContact O-N 2.86Å; Q181-L183 VanDerWaalsContact C-N 3.26Å; Q181-L183 PolarHBondContact O-N 3.3Å; Q181-T184 WeakPolarHBondContact CA-OG1 3.49Å; Q181-T184 PolarHBondContact O-N 2.87Å; Q181-T184 PolarHBondContact O-OG1 3.07Å; Q181-A185 PolarHBondContact O-N 3.16Å; Q181-A185 VanDerWaalsContact O-N 3.15Å
182L59.9Low55.4Low145 Ų145116 Ų11676%0.75965%0.649SS**Hα-helixtrans-62.5-30.5173.2-74.7168.6000113.3A178 K179A178-L182 PolarHBondContact O-N 2.85Å; A178-L182 VanDerWaalsContact O-N 3.15Å; K179-L182 PolarHBondContact O-N 2.82Å
183L54.2Low53.5Low152 Ų152116.7 Ų116.780%0.79665%0.654SS**Hα-helixtrans-87-8.6177.3-68.6169.8000114.2K179 V180 Q181K179-L183 WeakPolarHBondContact O-CG 3.24Å; K179-L183 PolarHBondContact O-N 2.82Å; V180-L183 CarbonylContact O-C 2.88Å; V180-L183 PolarHBondContact O-N 3.49Å; Q181-L183 VanDerWaalsContact C-N 3.26Å; Q181-L183 PolarHBondContact O-N 3.3Å
184T49.3Very low51.5Low100 Ų100117.8 Ų117.861%0.61366%0.659SS**Hα-helixtrans-114.90.1-179.247.60000114V180 Q181 P186V180-T184 HydrophobicContact CG1-CG2 4.38Å; V180-T184 WeakPolarHBondContact O-CB 3.31Å; V180-T184 PolarHBondContact O-N 2.69Å; V180-T184 PolarHBondContact O-OG1 3.3Å; Q181-T184 WeakPolarHBondContact CA-OG1 3.49Å; Q181-T184 PolarHBondContact O-N 2.87Å; Q181-T184 PolarHBondContact O-OG1 3.07Å; T184-P186 WeakPolarHBondContact O-CD 3.39Å
185A46.2Very low49.7Very low72 Ų72121.1 Ų121.160%0.59567%0.672SS**SBendtrans-67.7119.8168.100000110.4Q181 G187Q181-A185 PolarHBondContact O-N 3.16Å; Q181-A185 VanDerWaalsContact O-N 3.15Å; A185-G187 PolarHBondContact O-N 3.22Å
186P48.9Very low47.5Very low117 Ų117123.7 Ų123.776%0.7669%0.69SS**  trans-72.3123.5178.328.5-33.2000110.7T184 S188T184-P186 WeakPolarHBondContact O-CD 3.39Å; P186-S188 VanDerWaalsContact C-N 3.27Å; P186-S188 PolarHBondContact O-N 3.21Å
187G44.2Very low45.8Very low78 Ų78128.4 Ų128.480%0.80471%0.706SS**  trans-68.974.8176.900000113.3A185 T189A185-G187 PolarHBondContact O-N 3.22Å; G187-T189 PolarHBondContact O-N 3.48Å
188S41.1Very low43.6Very low109 Ų109126.3 Ų126.376%0.76271%0.713SS**  trans-86.863.7179.2177.70000112.6P186 S190P186-S188 VanDerWaalsContact C-N 3.27Å; P186-S188 PolarHBondContact O-N 3.21Å; S188-S190 VanDerWaalsContact C-N 3.32Å; S188-S190 PolarHBondContact O-N 3.42Å; S188-S190 VanDerWaalsContact O-N 3.12Å
189T39.9Very low41.6Very low121 Ų121132.9 Ų132.974%0.74274%0.735SS**  trans-85.665.3174.941.70000112.9G187 H191G187-T189 PolarHBondContact O-N 3.48Å; T189-H191 PolarHBondContact O-N 3.28Å
190S34Very low39.8Very low119 Ų119132.7 Ų132.783%0.83275%0.746SS**  trans-74.799.1163.2-172.70000109.5S188S188-S190 VanDerWaalsContact C-N 3.32Å; S188-S190 PolarHBondContact O-N 3.42Å; S188-S190 VanDerWaalsContact O-N 3.12Å
191H34.1Very low38.3Very low170 Ų170134.1 Ų134.179%0.78776%0.759SS**  trans-107.4126.8177.1-102.8-80.2000111.4T189T189-H191 PolarHBondContact O-N 3.28Å
192R31.5Very low37.8Very low242 Ų242134.2 Ų134.291%0.91377%0.77SS**  trans-155.2140.5154.1-116.2-179.3-174.2-151.6-0.9112.6
193H28.1Very low36.4Very low162 Ų162134.4 Ų134.475%0.7577%0.767SS**  trans70.6133172.8-113.648.7000115.6
194L30.5Very low35.5Very low134 Ų134132.3 Ų132.370%0.70276%0.761SS**  cis-124.4156.622.2-106.686.7000116.2
195Q30.3Very low34.8Very low161 Ų161132 Ų13275%0.75276%0.763SS**  trans10.6125.5149.5-59.8173.2-10.500122.2
196S29.5Very low34.3Very low117 Ų117136.1 Ų136.182%0.81877%0.774SS**  -168.7132.7119.3-166.80000113.6
197K27.5Very low33.6Very low210 Ų210137.3 Ų137.391%0.91377%0.773SS**  trans16.3145.1164.1-70.9-173.9170.9-173.30124.4
198G26.8Very low33Very low64 Ų64142.3 Ų142.366%0.6678%0.777SS**  trans117.9104165.900000111.7
199E27.5Very low32.6Very low188 Ų188140.5 Ų140.588%0.87978%0.777SS**  64118.674.4-71.5-178.5108.900113.2
200T29.1Very low32.3Very low129 Ų129139.7 Ų139.779%0.79178%0.782SS**  cis-147.8165.4236.30000113.3
201S31.1Very low32.9Very low111 Ų111140.9 Ų140.978%0.77678%0.784SS**  trans-23.9158.1162.1-65.10000118.8
202P50.8Low33.1Very low118 Ų118138.4 Ų138.477%0.76679%0.786SS**  cis-127.6-152.721.537.9-16.1000112.9
203E30.4Very low33.5Very low148 Ų148131.5 Ų131.569%0.69278%0.781SS**  cis-156.3-14311.2-144.4-146.293.800114
204T34.1Very low34.1Very low109 Ų109133 Ų13367%0.66979%0.788SS**  trans-57.6142.3178.841.10000114.8
205S34.8Very low34.9Very low93 Ų93129.8 Ų129.865%0.6579%0.787SS**  cis64.6122.515.1-48.10000114.3
206L35.6Very low35.8Very low158 Ų158126.6 Ų126.683%0.82779%0.788SS**  cis-157.6-178.435.6-86.2103.6000108.2
207L33.9Very low37Very low142 Ų142126.8 Ų126.874%0.74379%0.786SS**  cis163.3111-25.4-174.8164.8000106.3
208M31.8Very low38.1Very low183 Ų183120.4 Ų120.490%0.90178%0.78SS**  trans-165139.5160.6-140.1161.3-7500106
209G34Very low39.4Very low72 Ų72126.4 Ų126.474%0.74279%0.791SS**  cis97.4125.348.500000108.3
210A32.6Very low40.8Very low104 Ų104126.4 Ų126.486%0.8679%0.791SS**  cis-151.6-172.96.600000112.2
211V46.3Very low42Very low144 Ų144122.9 Ų122.987%0.87378%0.78SS**  trans-81.7142.6-178.6173.60000112.3
212S39.5Very low43.1Very low118 Ų118123.7 Ų123.783%0.82578%0.783SS**  trans-139.3124168.3-74.90000113.2
213A39.6Very low43.6Very low97 Ų97122.9 Ų122.980%0.80279%0.786SS**  trans19.1109.5161.400000120G215A213-G215 PolarHBondContact O-N 3.15Å
214Q41Very low44.6Very low194 Ų194118.9 Ų118.991%0.90779%0.785SS**PPolyproline II helixtrans-71.7120.8154.6177.7174.4-16.500109.4
215G46.2Very low45.6Very low65 Ų65120 Ų12067%0.6779%0.793SS**PPolyproline II helixtrans-65.9141.8176.400000112.5A213A213-G215 PolarHBondContact O-N 3.15Å
216A49.1Very low46.6Very low94 Ų94124.6 Ų124.678%0.77781%0.805SS**PPolyproline II helixtrans-66.3140.8175.200000111
217P54.3Low47.1Very low122 Ų122120.1 Ų120.179%0.79280%0.797SS**PPolyproline II helixtrans-57.4138.6168.3-22.333.8000110.7
218G51Low47.7Very low75 Ų75122.7 Ų122.777%0.77381%0.805SS**PPolyproline II helixtrans-67.7136.8177.300000111.9Q220G218-Q220 PolarHBondContact O-N 3.45Å
219E54Low48.8Very low190 Ų190122.9 Ų122.989%0.88880%0.801SS**PPolyproline II helixtrans-50.7130.6173.3-76.3-76.3100.800111.1G221E219-G221 PolarHBondContact O-N 2.7Å
220Q57.4Low49.4Very low189 Ų189122.5 Ų122.588%0.88380%0.796SS**PPolyproline II helixtrans-70.5117.2176.5-177.9174.7-15.100109.4G218G218-Q220 PolarHBondContact O-N 3.45Å
221G54.6Low50.4Low55 Ų55129 Ų12957%0.56780%0.799SS**PPolyproline II helixtrans-54.1145.1-18000000112.7E219 A223E219-G221 PolarHBondContact O-N 2.7Å; G221-A223 PolarHBondContact O-N 3.2Å
222P55.1Low51.1Low128 Ų128129 Ų12983%0.83179%0.794SS**PPolyproline II helixtrans-59.3139.4-173.224.6-34.6000111.4G224P222-G224 PolarHBondContact O-N 3Å
223A60.8Low51.4Low101 Ų101126.9 Ų126.984%0.83579%0.791SS**PPolyproline II helixtrans-58.2129.917700000110.4G221G221-A223 PolarHBondContact O-N 3.2Å
224G51.3Low51.8Low64 Ų64130.2 Ų130.266%0.6679%0.794SS**PPolyproline II helixtrans-58.5148178.400000111.7P222 Q226P222-G224 PolarHBondContact O-N 3Å; G224-Q226 PolarHBondContact O-N 3.37Å
225P54.6Low52.7Low131 Ų131126.8 Ų126.885%0.85179%0.789SS**PPolyproline II helixtrans-58129.9-176.724.4-34000110.6G227P225-G227 PolarHBondContact O-N 3.15Å; P225-G227 VanDerWaalsContact O-N 3.1Å
226Q55.1Low53Low191 Ų191127.1 Ų127.189%0.89379%0.792SS**  trans-61.1116176-179.8176.5-8.800109G224 E228G224-Q226 PolarHBondContact O-N 3.37Å; Q226-E228 PolarHBondContact O-N 2.9Å
227G46.8Very low53.1Low64 Ų64134.4 Ų134.466%0.6680%0.8SS**PPolyproline II helixtrans-54.8137.6-178.100000112P225 K229P225-G227 PolarHBondContact O-N 3.15Å; P225-G227 VanDerWaalsContact O-N 3.1Å; G227-K229 PolarHBondContact O-N 3.46Å
228E47.5Very low53.5Low195 Ų195136.2 Ų136.291%0.91180%0.802SS**PPolyproline II helixtrans-55134.1-177.2-64.4-167.7137.400111.1Q226 G230Q226-E228 PolarHBondContact O-N 2.9Å; E228-G230 PolarHBondContact O-N 3.12Å; E228-G230 VanDerWaalsContact O-N 3.14Å
229K54.8Low53.4Low188 Ų188136 Ų13682%0.81780%0.8SS**PPolyproline II helixtrans-60.4121.9174.3-177.2-170.7-66.9-178.80108.4G227 R231G227-K229 PolarHBondContact O-N 3.46Å; K229-R231 PolarHBondContact O-N 3.17Å
230G46.2Very low53.1Low63 Ų63136.5 Ų136.565%0.64980%0.8SS**  trans-51.6114.6174.900000111E228 D232E228-G230 PolarHBondContact O-N 3.12Å; E228-G230 VanDerWaalsContact O-N 3.14Å; G230-D232 PolarHBondContact O-N 3.03Å
231R53Low53.2Low241 Ų241133.6 Ų133.691%0.90980%0.797SS**PPolyproline II helixtrans-47127.517843.6-177154.5-174.6-9.1111.7K229K229-R231 PolarHBondContact O-N 3.17Å
232D61Low53Low144 Ų144134.5 Ų134.577%0.7781%0.807SS**PPolyproline II helixtrans-57.5141.4-175.4-64.4-64000111.9G230 L234G230-D232 PolarHBondContact O-N 3.03Å; D232-L234 PolarHBondContact O-N 2.89Å
233G46.4Very low52.7Low74 Ų74134.2 Ų134.276%0.76381%0.808SS**PPolyproline II helixtrans-63.6131.8179.200000111.4
234L48.4Very low52.4Low167 Ų167138.4 Ų138.487%0.87481%0.81SS**PPolyproline II helixtrans-53.9132.1178.2-68.2174.9000110.6D232 G236D232-L234 PolarHBondContact O-N 2.89Å; L234-G236 PolarHBondContact O-N 3.5Å
235P58.5Low52.1Low121 Ų121138.5 Ų138.579%0.78681%0.811SS**PPolyproline II helixtrans-53.2135177-28.335.6000112.2R237P235-R237 PolarHBondContact O-N 2.81Å
236G52.3Low51.7Low72 Ų72140.1 Ų140.174%0.74281%0.812SS**PPolyproline II helixtrans-60.2130.6173.600000110.1L234 D238L234-G236 PolarHBondContact O-N 3.5Å; G236-D238 PolarHBondContact O-N 3.2Å
237R52.8Low51.7Low248 Ų248137.1 Ų137.194%0.93681%0.808SS**PPolyproline II helixtrans-57.4133.3178.5-80.5-179.9150.1-178.2-7.1110.9P235P235-R237 PolarHBondContact O-N 2.81Å
238D61.8Low51.6Low159 Ų159137.2 Ų137.285%0.8581%0.81SS**PPolyproline II helixtrans-55.3139.3178.6-61.7-69.6000112.3G236 K240G236-D238 PolarHBondContact O-N 3.2Å; D238-K240 PolarHBondContact O-N 3.3Å
239G50Low51.4Low71 Ų71132.4 Ų132.473%0.73280%0.796SS**PPolyproline II helixtrans-63134.8172.500000110.6
240K47.5Very low51.2Low201 Ų201127.6 Ų127.687%0.87479%0.786SS**PPolyproline II helixtrans-55.3135.2176.6-68.9-173.1178.3-177.50109.9D238 G242D238-K240 PolarHBondContact O-N 3.3Å; K240-G242 PolarHBondContact O-N 2.93Å
241P58.9Low51.2Low127 Ų127126.3 Ų126.383%0.82577%0.772SS**PPolyproline II helixtrans-53.4138.6178.6-2835.3000112.5
242G50.1Low50.7Low75 Ų75119.5 Ų119.577%0.77376%0.759SS**PPolyproline II helixtrans-62.2141.3173.300000111.1K240K240-G242 PolarHBondContact O-N 2.93Å
243S49.5Very low50.3Low122 Ų122115.6 Ų115.685%0.85374%0.742SS**PPolyproline II helixtrans-63.2141.3178.539.70000111.7G245S243-G245 PolarHBondContact O-N 2.92Å
244Q53.3Low50.2Low188 Ų188114.2 Ų114.288%0.87973%0.727SS**PPolyproline II helixtrans-62.5130.2-179.5-178.4174.9-18.500111
245G46.1Very low49.9Very low66 Ų66113.2 Ų113.268%0.6872%0.723SS**PPolyproline II helixtrans-64.9142.717700000112.3S243S243-G245 PolarHBondContact O-N 2.92Å
246L45.7Very low49.4Very low166 Ų166112.4 Ų112.487%0.86972%0.716SS**PPolyproline II helixtrans-69.5145.9178.5-67172.7000111.5
247P54.8Low49.2Very low127 Ų127111 Ų11183%0.82570%0.701SS**PPolyproline II helixtrans-62.8145.6178.7-22.534.1000113.6
248G44.4Very low48.9Very low67 Ų67104.3 Ų104.369%0.69170%0.699SS**PPolyproline II helixtrans-78.8156.5172.500000113.2
249P44.8Very low48.4Very low94 Ų94105.1 Ų105.161%0.6170%0.695SS**PPolyproline II helixtrans-75.2153-178.331.2-35.7000113.5
250S50.7Low48.8Very low87 Ų87103.5 Ų103.561%0.60868%0.678SS**PPolyproline II helixtrans-77.6166-179.9-59.40000114.5
251G46.2Very low49Very low36 Ų36100.1 Ų100.137%0.37168%0.677SS.*  trans-126.2158.7-179.100000114G380G251-G380 CarbonylContact C-O 3.59Å; G251-G380 PolarHBondContact O-N 3.17Å
252P41.3Very low48.9Very low98 Ų9897.9 Ų97.964%0.63666%0.664SS**  trans-71.8142-157.628.3-36.9000114.8R379 G380P252-R379 VanDerWaalsContact C-CG 3.47Å; P252-R379 HydrophobicContact CB-CG 4Å; P252-G380 WeakPolarHBondContact CA-O 3.28Å; P252-G380 VanDerWaalsContact N-O 3.14Å
253P53.3Low49.4Very low62 Ų6296.3 Ų96.340%0.40365%0.648SS.*  trans-58167.1-175.8-1.62.5000116R379P253-R379 VanDerWaalsContact C-CG 3.47Å; P253-R379 HydrophobicContact CB-CB 2.28Å; P253-R379 HydrophobicContact CB-CG 3.86Å; P253-R379 WeakPolarHBondContact CD-O 3.35Å; P253-R379 HydrophobicContact CG-CB 2.3Å; P253-R379 HydrophobicContact CG-CG 3.67Å; P253-R379 WeakPolarHBondContact CG-O 3.24Å; P253-R379 VanDerWaalsContact N-C 3.32Å; P253-R379 WeakPolarHBondContact O-CB 3.26Å; P253-R379 VanDerWaalsContact O-CD 3.29Å; P253-R379 WeakPolarHBondContact O-CD 3.38Å; P253-R379 WeakPolarHBondContact O-CG 3.5Å; P253-R379 PolarHBondContact O-NH1 3.48Å
254G43.9Very low49.5Very low44 Ų4494.6 Ų94.645%0.45464%0.641SS.*  trans170.293.9172.600000113.4G377 D378G254-G377 CarbonylContact C-O 3.41Å; G254-D378 VanDerWaalsContact N-N 3.16Å
255D42.1Very low50.1Low146 Ų14690.6 Ų90.678%0.78163%0.632SS**  trans49.5155.9160.1-57.9-24.8000121.8G257 G377D255-G257 PolarHBondContact O-N 3.3Å; D255-G377 PolarHBondContact N-O 2.94Å; D255-G377 PolarHBondContact O-N 3.24Å
256V48.3Very low50.8Low105 Ų10589 Ų8964%0.63662%0.615SS**  trans-93.696.2-155.4166.40000112.7K376V256-K376 HydrophobicContact CB-CG 4.22Å; V256-K376 HydrophobicContact CG1-CD 3.75Å; V256-K376 HydrophobicContact CG1-CG 3.94Å; V256-K376 HydrophobicContact CG2-CD 4.43Å; V256-K376 HydrophobicContact CG2-CG 4.1Å
257G47.8Very low51.3Low42 Ų4286.6 Ų86.643%0.43361%0.612SS.*  trans-79.2159.316900000114.5D255D255-G257 PolarHBondContact O-N 3.3Å
258A47Very low52Low108 Ų10886.8 Ų86.889%0.89360%0.6SS**  trans-76.514316900000111.1G260A258-G260 PolarHBondContact O-N 3.47Å
259K51.3Low52.8Low175 Ų17585.2 Ų85.276%0.76158%0.584SS**  trans-70.2113.2-171.8-173.9177.4-179.3178.70111.9V373K259-V373 HydrophobicContact CD-CG1 4.48Å; K259-V373 HydrophobicContact CG-CG1 4.14Å
260G57Low53.6Low38 Ų3888.3 Ų88.339%0.39260%0.595SS.*PPolyproline II helixtrans-67.9162.9173.800000113.6A258A258-G260 PolarHBondContact O-N 3.47Å
261P51.7Low54.6Low129 Ų12987.8 Ų87.884%0.83859%0.589SS**PPolyproline II helixtrans-63.1151175.928-34.8000111.5
262S58.7Low55.6Low81 Ų8187.1 Ų87.157%0.56658%0.582SS**PPolyproline II helixtrans-64.5139178-169.60000111.2
263G59.1Low56.7Low41 Ų4188.3 Ų88.342%0.42359%0.59SS.*PPolyproline II helixtrans-62.9149.717100000111.7
264A53Low57.7Low87 Ų8788 Ų8872%0.71959%0.593SS**PPolyproline II helixtrans-64.3151172.600000110.9
265P65.3Low58.8Low104 Ų10487 Ų8768%0.67558%0.582SS**PPolyproline II helixtrans-55.8141175-25.334.9000112.3S267P265-S267 PolarHBondContact O-N 3.37Å
266G60.5Low59.8Low33 Ų3385.9 Ų85.934%0.3458%0.583SS.*PPolyproline II helixtrans-61135.3177.300000111.2K268G266-K268 PolarHBondContact O-N 3.17Å
267S56.7Low60.8Low115 Ų11588.1 Ų88.180%0.80458%0.58SS**PPolyproline II helixtrans-58.1139.5174.948.60000110.4P265 G269P265-S267 PolarHBondContact O-N 3.37Å; S267-G269 PolarHBondContact O-N 2.9Å
268K68.4Low61.7Low131 Ų13187.2 Ų87.257%0.5757%0.57SS**PPolyproline II helixtrans-59.9130.5179.5-176.8169.9175.2173.90109.7G266 L270 P367G266-K268 PolarHBondContact O-N 3.17Å; K268-L270 PolarHBondContact O-N 3.42Å; K268-P367 HydrophobicContact CB-CG 4.19Å; K268-P367 HydrophobicContact CD-CG 4.3Å; K268-P367 HydrophobicContact CG-CG 4.08Å
269G61.5Low62.4Low34 Ų3487.1 Ų87.135%0.35156%0.561SS.*PPolyproline II helixtrans-56.6139.4178.800000111.2S267S267-G269 PolarHBondContact O-N 2.9Å
270L61.5Low63.1Low159 Ų15982.9 Ų82.983%0.83255%0.551SS**PPolyproline II helixtrans-56.9150.5175.4-68.6174.8000110.3K268 G272K268-L270 PolarHBondContact O-N 3.42Å; L270-G272 PolarHBondContact O-N 3.15Å
271P72.7Confident63.5Low75 Ų7582.3 Ų82.349%0.48755%0.545SS..PPolyproline II helixtrans-51.5140171.5-21.230.6000111P364P271-P364 HydrophobicContact CB-CG 4.25Å; P271-P364 HydrophobicContact CG-CG 4.11Å
272G66.8Low63.9Low23 Ų2383.9 Ų83.924%0.23754%0.541CS..EExtended strand (participates in β ladder)trans-60.8141.9172.500000109.8L270 G362L270-G272 PolarHBondContact O-N 3.15Å; G272-G362 PolarHBondContact N-O 3.34Å; G272-G362 PolarHBondContact O-N 3.49Å; G272-G362 VanDerWaalsContact O-N 3.16Å
273P63.9Low64.3Low122 Ų12282.2 Ų82.279%0.79253%0.528SS*.EExtended strand (participates in β ladder)trans-56150178.924.9-34.4000110.8G275P273-G275 PolarHBondContact O-N 3.46Å
274A73.6Confident64.5Low57 Ų5781.4 Ų81.447%0.47152%0.519SS..EExtended strand (participates in β ladder)trans-50.913517700000110.8N361A274-N361 WeakPolarHBondContact CA-OD1 3.26Å; A274-N361 VanDerWaalsContact CB-OD1 3.31Å; A274-N361 WeakPolarHBondContact CB-OD1 3.44Å
275G67.6Low65.1Low21 Ų2185.8 Ų85.822%0.21653%0.525CS..EExtended strand (participates in β ladder)trans-59.5143.3175.300000110.5P273 R277 G359P273-G275 PolarHBondContact O-N 3.46Å; G275-R277 PolarHBondContact O-N 2.92Å; G275-G359 PolarHBondContact N-O 3.18Å; G275-G359 VanDerWaalsContact N-O 3.08Å; G275-G359 PolarHBondContact O-N 3.17Å
276P63.2Low65Low123 Ų12389.6 Ų89.680%0.79953%0.526SS*.PPolyproline II helixtrans-55143.7-177.424.3-34.5000110.6G278P276-G278 PolarHBondContact O-N 2.84Å
277R68.7Low65Low153 Ų15389.5 Ų89.558%0.57753%0.525SS*.PPolyproline II helixtrans-58.4134.5-178.8-168.8177.9177.9-177.4-3.3110.4G275 P355 G356G275-R277 PolarHBondContact O-N 2.92Å; R277-P355 PolarHBondContact NE-O 3.26Å; R277-P355 PolarHBondContact NH2-O 3.01Å; R277-G356 WeakPolarHBondContact CG-O 3.48Å; R277-G356 PolarHBondContact NE-O 3.12Å; R277-G356 VanDerWaalsContact NE-O 3.08Å
278G67.5Low65.2Low22 Ų2291.3 Ų91.323%0.22753%0.525CS..PPolyproline II helixtrans-54.2149.7175.600000111.9P276 G356 P357P276-G278 PolarHBondContact O-N 2.84Å; G278-G356 PolarHBondContact O-N 3.48Å; G278-P357 PolarHBondContact N-O 2.89Å
279P61Low65.2Low107 Ų10788.6 Ų88.670%0.69552%0.52SS*.PPolyproline II helixtrans-58.1159.2-178.625.3-34.7000111.7G281 P355 G356P279-G281 PolarHBondContact O-N 3.15Å; P279-P355 WeakPolarHBondContact O-CA 3.5Å; P279-G356 PolarHBondContact O-N 3.36Å
280P65.8Low65.4Low86 Ų8688.4 Ų88.456%0.55852%0.519SS*.PPolyproline II helixtrans-48.4139.2165.7-25.635.1000110.9V352 P355P280-V352 HydrophobicContact CB-CG1 3.87Å; P280-P355 HydrophobicContact CB-CG 4.26Å; P280-P355 HydrophobicContact CG-CB 4.45Å; P280-P355 HydrophobicContact CG-CG 4.23Å
281G66.1Low65.6Low26 Ų2688.3 Ų88.327%0.26852%0.518SS..PPolyproline II helixtrans-59.9153.8172.400000110.3P279 V352 G353P279-G281 PolarHBondContact O-N 3.15Å; G281-V352 VanDerWaalsContact O-CG1 3.23Å; G281-V352 WeakPolarHBondContact O-CG1 3.32Å; G281-G353 PolarHBondContact N-O 2.98Å
282H60.4Low65.7Low162 Ų16288.5 Ų88.575%0.7552%0.519SS*.PPolyproline II helixtrans-56.5140.3171.652-104000109.2G284H282-G284 PolarHBondContact O-N 3.31Å
283P67.3Low65.7Low46 Ų4688.5 Ų88.530%0.29952%0.519SS..BIsolated β-bridgetrans-64.7139.1173.2-4.517.1000108.9R349 V352P283-R349 PolarHBondContact O-NE 3.47Å; P283-R349 PolarHBondContact O-NH2 3.31Å; P283-V352 HydrophobicContact CB-CG2 4.16Å; P283-V352 HydrophobicContact CG-CG2 4.24Å
284G63.3Low65.9Low23 Ų2388 Ų8824%0.23752%0.517CS..PPolyproline II helixtrans-56.1171.3-173.700000113.5H282 R349 G350 P351H282-G284 PolarHBondContact O-N 3.31Å; G284-R349 WeakPolarHBondContact O-CD 3.36Å; G284-R349 WeakPolarHBondContact O-CG 3.43Å; G284-R349 PolarHBondContact O-NE 2.91Å; G284-G350 PolarHBondContact N-O 2.86Å; G284-P351 PolarHBondContact N-O 3.29Å
285E64.5Low66Low180 Ų18088.1 Ų88.184%0.84151%0.512SS*.PPolyproline II helixtrans-65.7166.7177.8-60.2-164.3146.700111.8G350E285-G350 PolarHBondContact O-N 2.86Å
286R64.5Low66.2Low184 Ų18488.1 Ų88.169%0.69451%0.513SS*.BIsolated β-bridgetrans-75.2134.5171.9-167-175.8-61.4-166.7-1.5108P346 G347R286-P346 HydrophobicContact CG-CB 4.07Å; R286-G347 VanDerWaalsContact CG-O 3.23Å; R286-G347 WeakPolarHBondContact CG-O 3.37Å
287G60.1Low66.5Low31 Ų3187.8 Ų87.832%0.3251%0.51SS..PPolyproline II helixtrans-56.7148.4172.700000111.2P346 G347G287-P346 WeakPolarHBondContact O-CB 3.44Å; G287-G347 PolarHBondContact N-O 3.33Å; G287-G347 VanDerWaalsContact N-O 3.12Å; G287-G347 PolarHBondContact O-N 2.97Å; G287-G347 VanDerWaalsContact O-N 3.16Å
288L60.2Low66.9Low152 Ų15284.2 Ų84.280%0.79651%0.507SS*.PPolyproline II helixtrans-56.5156.9177.1-65176.7000111.3G290 G347L288-G290 PolarHBondContact O-N 3.41Å; L288-G347 PolarHBondContact O-N 3.49Å; L288-G347 VanDerWaalsContact O-N 3.09Å
289P69.5Low67Low74 Ų7484.5 Ų84.548%0.48151%0.51SS..PPolyproline II helixtrans-50.1139166.5-23.233.2000111.1V343 P346P289-V343 HydrophobicContact CB-CG1 3.61Å; P289-P346 HydrophobicContact CG-CG 4.34Å
290G64.7Low67.4Low31 Ų3185.1 Ų85.132%0.3251%0.514SS..EExtended strand (participates in β ladder)trans-63.3149.1170.300000110.2L288 V343 G344L288-G290 PolarHBondContact O-N 3.41Å; G290-V343 WeakPolarHBondContact O-CG1 3.43Å; G290-G344 PolarHBondContact N-O 3.4Å; G290-G344 PolarHBondContact O-N 3.37Å
291L66.7Low67.6Low157 Ų15784.5 Ų84.582%0.82251%0.51SS*.EExtended strand (participates in β ladder)trans-54152.9177.3-66175.4000111.3G293L291-G293 PolarHBondContact O-N 3.11Å
292P74Confident67.5Low78 Ų7890.4 Ų90.451%0.50654%0.535SS..EExtended strand (participates in β ladder)trans-50.9140.8170-23.432.6000110.9V343P292-V343 HydrophobicContact CG-CG2 4.38Å
293G67.5Low67.5Low23 Ų2387.6 Ų87.624%0.23753%0.531CS..EExtended strand (participates in β ladder)trans-61.7152.4172.600000110.8L291 G341L291-G293 PolarHBondContact O-N 3.11Å; G293-G341 PolarHBondContact N-O 2.94Å; G293-G341 PolarHBondContact O-N 2.84Å
294P68Low67.2Low113 Ų11390.9 Ų90.973%0.73456%0.562SS**EExtended strand (participates in β ladder)trans-55.2149.2174.425.3-34.3000110.5G341P294-G341 PolarHBondContact O-N 2.71Å
295P76Confident67Low58 Ų5893.3 Ų93.338%0.37759%0.587SS.*EExtended strand (participates in β ladder)trans-52.4142.7175.5-26.735.4000112.2Q337 G338P295-Q337 VanDerWaalsContact CB-CD 3.45Å; P295-Q337 HydrophobicContact CB-CG 3.67Å; P295-G338 WeakPolarHBondContact CB-O 3.08Å
296G70.4Confident66.3Low22 Ų2288.6 Ų88.623%0.22758%0.579CS.*PPolyproline II helixtrans-58.8151.8177.800000112.1Q337 G338 P339G296-Q337 VanDerWaalsContact O-CG 3.3Å; G296-Q337 WeakPolarHBondContact O-CG 3.49Å; G296-G338 PolarHBondContact N-O 3.42Å; G296-G338 PolarHBondContact O-N 2.83Å; G296-P339 PolarHBondContact N-O 3.33Å
297P71.1Confident65.6Low116 Ų11691 Ų9175%0.75359%0.588SS**PPolyproline II helixtrans-56.4151176.525.6-34.6000110.9G299P297-G299 PolarHBondContact O-N 3.26Å
298P76.7Confident65.3Low77 Ų7797 Ų9750%0.561%0.611SS.*PPolyproline II helixtrans-48.9139.1175.5-29.937000112.6P334 G335P298-P334 HydrophobicContact CB-CB 4.06Å; P298-G335 WeakPolarHBondContact CB-O 3.39Å
299G68.3Low64.6Low29 Ų2995.2 Ų95.230%0.29961%0.609SS.*PPolyproline II helixtrans-59.5154.1173.800000112P297 G335P297-G299 PolarHBondContact O-N 3.26Å; G299-G335 PolarHBondContact N-O 3.3Å; G299-G335 WeakPolarHBondContact O-CA 3.36Å; G299-G335 PolarHBondContact O-N 2.93Å
300P70.9Confident64Low119 Ų11999.9 Ų99.977%0.77362%0.624SS**PPolyproline II helixtrans-57.1145.3175.125.8-34.3000110.5
301P69.4Low63.3Low74 Ų74104.4 Ų104.448%0.48165%0.648SS.*PPolyproline II helixtrans-56.2141-178.1-25.934.6000112.5P332P301-P332 HydrophobicContact CB-CB 3.94Å; P301-P332 HydrophobicContact CG-CB 4.04Å
302L63.6Low62.1Low149 Ų149104.5 Ų104.578%0.7865%0.649SS**PPolyproline II helixtrans-63.2134.8174.4-70.6169.8000110.1A304L302-A304 PolarHBondContact O-N 3.48Å
303P61.8Low61.3Low103 Ų103109.4 Ų109.467%0.66967%0.665SS**PPolyproline II helixtrans-65135.4176.327-33.7000110.4G305 A306P303-G305 PolarHBondContact O-N 3.4Å; P303-A306 PolarHBondContact O-N 3.29Å
304A59.9Low60.4Low115 Ų115115.6 Ų115.695%0.9569%0.692SS**THydrogen-bonded Turntrans-66.87.9-166.700000116.6L302L302-A304 PolarHBondContact O-N 3.48Å
305G59Low59.2Low74 Ų74115.5 Ų115.576%0.76369%0.694SS**THydrogen-bonded Turntrans-93.3-9.9176.200000115.1P303 R307P303-G305 PolarHBondContact O-N 3.4Å; G305-R307 VanDerWaalsContact C-N 3.33Å; G305-R307 PolarHBondContact O-N 2.94Å; G305-R307 VanDerWaalsContact O-N 3.1Å
306A50Low57.9Low82 Ų82116.3 Ų116.368%0.67871%0.713SS**  trans-88.251.7-170.800000114.5P303P303-A306 PolarHBondContact O-N 3.29Å
307R49.6Very low56.5Low233 Ų233124.1 Ų124.188%0.87974%0.741SS**PPolyproline II helixtrans-89127.6156.1-76.6-165.8-178.6-162.22.5108.6G305 P309G305-R307 VanDerWaalsContact C-N 3.33Å; G305-R307 PolarHBondContact O-N 2.94Å; G305-R307 VanDerWaalsContact O-N 3.1Å; R307-P309 WeakPolarHBondContact O-CD 3.38Å
308I54.6Low55.5Low159 Ų159124.9 Ų124.982%0.81574%0.739SS**PPolyproline II helixtrans-68.1124.5166.1-59170.8000106.6E310I308-E310 PolarHBondContact O-N 3.41Å
309P45.1Very low54.4Low114 Ų114127.1 Ų127.174%0.7475%0.754SS**PPolyproline II helixtrans-69.3125.4171.9-1731.7000109.8R307R307-P309 WeakPolarHBondContact O-CD 3.38Å
310E57.4Low53.4Low172 Ų172134.5 Ų134.580%0.80478%0.778SS**PPolyproline II helixtrans-68.8139.2163.6-67.9171.8122.300108.4I308 D312I308-E310 PolarHBondContact O-N 3.41Å; E310-D312 VanDerWaalsContact C-N 3.3Å; E310-D312 PolarHBondContact O-N 3.13Å
311P48.9Very low52.2Low125 Ų125138.2 Ų138.281%0.81278%0.782SS**  trans-83.368.2-167.134-37.2000112.4H313P311-H313 PolarHBondContact O-N 3.33Å
312D42Very low51Low159 Ų159140.5 Ų140.585%0.8580%0.795SS**  trans-69112.8177.8-93.3-19.6000112.2E310 N314E310-D312 VanDerWaalsContact C-N 3.3Å; E310-D312 PolarHBondContact O-N 3.13Å; D312-N314 PolarHBondContact O-N 3.42Å
313H56Low49.7Very low181 Ų181141.4 Ų141.484%0.83880%0.8SS**  trans-74.6102.9168.1-76.7-34.7000110.9P311P311-H313 PolarHBondContact O-N 3.33Å
314N48.7Very low48.8Very low153 Ų153140.9 Ų140.982%0.81880%0.796SS**  -170.4160.5128.8-110.9-54.6000116.9D312D312-N314 PolarHBondContact O-N 3.42Å
315S43.5Very low47.7Very low111 Ų111145.2 Ų145.278%0.77679%0.793SS**  trans40.9103.315660.40000118.7
316G49.3Very low47.2Very low75 Ų75149 Ų14977%0.77379%0.791SS**  trans-91.6153.8169.300000114.2
317K41.4Very low46.9Very low187 Ų187150.5 Ų150.581%0.81379%0.788SS**  trans-164.9136.8143.3-106.2168.5-176.2179.60111.3
318D50Low46.9Very low131 Ų131144.2 Ų144.270%0.70178%0.779SS**  trans48.989.9147.5-44.8-29.5000118.9F320D318-F320 PolarHBondContact O-N 3.33Å; D318-F320 VanDerWaalsContact O-N 3.09Å
319P52.2Low46.9Very low125 Ų125146.8 Ų146.881%0.81278%0.779SS**  trans-87.664.3-177.137-37.1000113.6
320F48.1Very low47.3Very low184 Ų184144.5 Ų144.581%0.80778%0.776SS**  trans-136.3138.4170.8-81.9-85.5000112.3D318D318-F320 PolarHBondContact O-N 3.33Å; D318-F320 VanDerWaalsContact O-N 3.09Å
321F45.8Very low47.5Very low196 Ų196143.5 Ų143.586%0.8678%0.776SS**  trans64.974.5178.6-70.7-84.9000118.1
322T43.1Very low47.8Very low123 Ų123142.1 Ų142.176%0.75577%0.767SS**  trans-146.689.7147140000110.9T324T322-T324 PolarHBondContact O-N 3.18Å
323N37.6Very low48.8Very low167 Ų167140 Ų14089%0.89376%0.759SS**  trans-77.649.9171.1-81.5-20.2000111.5F325N323-F325 PolarHBondContact O-N 3.33Å
324T42.6Very low49.5Very low93 Ų93135.8 Ų135.857%0.57175%0.748SS**  trans-92.979.3-179.5-48.20000109.1T322 H326T322-T324 PolarHBondContact O-N 3.18Å; T324-H326 PolarHBondContact O-N 2.98Å
325F37.3Very low50.4Low205 Ų205129 Ų12990%0.89971%0.713SS**  trans-66.895.5176.9-127.4-92.6000109.6N323 D327N323-F325 PolarHBondContact O-N 3.33Å; F325-D327 PolarHBondContact O-N 3.41Å
326H47.2Very low51.7Low154 Ų154129.5 Ų129.571%0.71372%0.715SS**  trans-68.396.9167.9-85.8-79.1000108.7T324 S328T324-H326 PolarHBondContact O-N 2.98Å; H326-S328 PolarHBondContact O-N 2.89Å; H326-S328 PolarHBondContact O-OG 3.21Å
327D43.7Very low53Low114 Ų114132.3 Ų132.361%0.6171%0.707SS**  trans-62.770.9169.6-178.538.5000110.3F325 R329F325-D327 PolarHBondContact O-N 3.41Å; D327-R329 VanDerWaalsContact C-N 3.35Å; D327-R329 PolarHBondContact O-N 3.15Å; D327-R329 IonicContact OD2-CZ 3.95Å; D327-R329 IonicContact OD2-NE 3.08Å; D327-R329 PolarHBondContact OD2-NE 3.04Å; D327-R329 VanDerWaalsContact OD2-NE 3.08Å; D327-R329 IonicContact OD2-NH2 3Å
328S50.1Low54.4Low101 Ų101124.2 Ų124.271%0.70668%0.677SS**  trans-73.993.1175.9-61.60000106.8H326 G330H326-S328 PolarHBondContact O-N 2.89Å; H326-S328 PolarHBondContact O-OG 3.21Å; S328-G330 PolarHBondContact O-N 3.37Å
329R54.5Low55.3Low212 Ų212123.3 Ų123.380%0.868%0.678SS**  trans-67.557.7178.6-62.1-177.3-176.9177.30.4112.8D327 L331D327-R329 VanDerWaalsContact C-N 3.35Å; D327-R329 PolarHBondContact O-N 3.15Å; D327-R329 IonicContact OD2-CZ 3.95Å; D327-R329 IonicContact OD2-NE 3.08Å; D327-R329 PolarHBondContact OD2-NE 3.04Å; D327-R329 VanDerWaalsContact OD2-NE 3.08Å; D327-R329 IonicContact OD2-NH2 3Å; R329-L331 PolarHBondContact O-N 3.24Å; R329-L331 VanDerWaalsContact O-N 3.1Å
330G54.2Low56.5Low67 Ų67121.6 Ų121.669%0.69167%0.667SS**  trans-64.7105.3161.600000107.9S328S328-G330 PolarHBondContact O-N 3.37Å
331L60.4Low57.5Low151 Ų151113.8 Ų113.879%0.79164%0.639SS**  trans-51.4137.1166.9-67169.3000108.3R329 V333R329-L331 PolarHBondContact O-N 3.24Å; R329-L331 VanDerWaalsContact O-N 3.1Å; L331-V333 PolarHBondContact O-N 2.62Å
332P55.3Low58.6Low96 Ų96110.2 Ų110.262%0.62364%0.635SS**  trans-63.5101179.625.7-33.4000108.9P301 P334P301-P332 HydrophobicContact CB-CB 3.94Å; P301-P332 HydrophobicContact CG-CB 4.04Å; P332-P334 VanDerWaalsContact O-CD 3.28Å; P332-P334 WeakPolarHBondContact O-CD 3.45Å
333V64Low60.2Low115 Ų115108.7 Ų108.770%0.69763%0.626SS**PPolyproline II helixtrans-60.5118.9178.1-178.20000107.2L331 G335L331-V333 PolarHBondContact O-N 2.62Å; V333-G335 PolarHBondContact O-N 3.21Å
334P69.7Low61.4Low91 Ų91101.6 Ų101.659%0.59159%0.592SS**PPolyproline II helixtrans-57.6138.3176.3-23.434.4000109.5P298 P332P298-P334 HydrophobicContact CB-CB 4.06Å; P332-P334 VanDerWaalsContact O-CD 3.28Å; P332-P334 WeakPolarHBondContact O-CD 3.45Å
335G67.6Low62.3Low10 Ų10102.8 Ų102.810%0.10360%0.601CS.*PPolyproline II helixtrans-57.7152.1174.300000110.5P298 G299 V333 Q337P298-G335 WeakPolarHBondContact CB-O 3.39Å; G299-G335 PolarHBondContact N-O 3.3Å; G299-G335 WeakPolarHBondContact O-CA 3.36Å; G299-G335 PolarHBondContact O-N 2.93Å; V333-G335 PolarHBondContact O-N 3.21Å; G335-Q337 PolarHBondContact O-N 3.02Å
336P71Confident64.2Low123 Ų12396 Ų9680%0.79958%0.578SS**PPolyproline II helixtrans-51.8141.3179.123-33.8000110.4G338P336-G338 PolarHBondContact O-N 3.36Å
337Q77Confident64.9Low133 Ų13389.6 Ų89.662%0.62155%0.554SS**PPolyproline II helixtrans-57.5136.1-179.5-166.2174.93500109.6P295 G296 G335P295-Q337 VanDerWaalsContact CB-CD 3.45Å; P295-Q337 HydrophobicContact CB-CG 3.67Å; G296-Q337 VanDerWaalsContact O-CG 3.3Å; G296-Q337 WeakPolarHBondContact O-CG 3.49Å; G335-Q337 PolarHBondContact O-N 3.02Å
338G71Confident65.7Low18 Ų1890 Ų9019%0.18656%0.563CS.*PPolyproline II helixtrans-60.4149.9179.300000110.9P295 G296 P336P295-G338 WeakPolarHBondContact CB-O 3.08Å; G296-G338 PolarHBondContact N-O 3.42Å; G296-G338 PolarHBondContact O-N 2.83Å; P336-G338 PolarHBondContact O-N 3.36Å
339P69.2Low66.7Low111 Ų11192.6 Ų92.672%0.72156%0.557SS**PPolyproline II helixtrans-55.9154.6178.624.6-34.4000111.4G296 G341G296-P339 PolarHBondContact N-O 3.33Å; P339-G341 PolarHBondContact O-N 2.9Å
340P77.4Confident67Low89 Ų8983.7 Ų83.758%0.57853%0.531SS*.EExtended strand (participates in β ladder)trans-49.4138.6173.3-27.935.8000112
341G69.6Low67.3Low20 Ų2086.1 Ų86.121%0.20654%0.535CS..EExtended strand (participates in β ladder)trans-60.4149.4175.800000111.2G293 P294 P339G293-G341 PolarHBondContact N-O 2.94Å; G293-G341 PolarHBondContact O-N 2.84Å; P294-G341 PolarHBondContact O-N 2.71Å; P339-G341 PolarHBondContact O-N 2.9Å
342P68.3Low67.8Low122 Ų12283.1 Ų83.179%0.79252%0.522SS*.EExtended strand (participates in β ladder)trans-55.7145.1-178.124-34.3000111.6G344P342-G344 PolarHBondContact O-N 3.16Å
343V75.8Confident68.2Low90 Ų9079.6 Ų79.655%0.54550%0.503SS..EExtended strand (participates in β ladder)trans-52.6128.3176.6-176.60000109.4P289 G290 P292P289-V343 HydrophobicContact CB-CG1 3.61Å; G290-V343 WeakPolarHBondContact O-CG1 3.43Å; P292-V343 HydrophobicContact CG-CG2 4.38Å
344G63.7Low68.1Low19 Ų1979.4 Ų79.420%0.19651%0.505CS..EExtended strand (participates in β ladder)trans-60.1145.9-179.100000111.7G290 P342G290-G344 PolarHBondContact N-O 3.4Å; G290-G344 PolarHBondContact O-N 3.37Å; P342-G344 PolarHBondContact O-N 3.16Å
345P62.4Low68.3Low117 Ų11777.3 Ų77.376%0.7649%0.491SS*.PPolyproline II helixtrans-56.9143.1179.624.9-34.2000110.7G347P345-G347 PolarHBondContact O-N 2.9Å
346P75.1Confident68.2Low62 Ų6277.9 Ų77.940%0.40350%0.497SS..PPolyproline II helixtrans-49.9135.8175.3-30.136.8000112.7R286 G287 P289R286-P346 HydrophobicContact CG-CB 4.07Å; G287-P346 WeakPolarHBondContact O-CB 3.44Å; P289-P346 HydrophobicContact CG-CG 4.34Å
347G62.4Low67.9Low20 Ų2077.7 Ų77.721%0.20650%0.495CS..PPolyproline II helixtrans-54.7151.9179.900000112.6R286 G287 L288 P345R286-G347 VanDerWaalsContact CG-O 3.23Å; R286-G347 WeakPolarHBondContact CG-O 3.37Å; G287-G347 PolarHBondContact N-O 3.33Å; G287-G347 VanDerWaalsContact N-O 3.12Å; G287-G347 PolarHBondContact O-N 2.97Å; G287-G347 VanDerWaalsContact O-N 3.16Å; L288-G347 PolarHBondContact O-N 3.49Å; L288-G347 VanDerWaalsContact O-N 3.09Å; P345-G347 PolarHBondContact O-N 2.9Å
348P61.2Low67.4Low123 Ų12375 Ų7580%0.79949%0.491SS*.PPolyproline II helixtrans-55.4150.2-18025-34.5000111.1G350P348-G350 PolarHBondContact O-N 3.4Å
349R71.4Confident67.2Low155 Ų15575.5 Ų75.559%0.58550%0.497SS*.BIsolated β-bridgetrans-62134.6177.3-168.4176.6-177.8178.9-2.7109.8P283 G284P283-R349 PolarHBondContact O-NE 3.47Å; P283-R349 PolarHBondContact O-NH2 3.31Å; G284-R349 WeakPolarHBondContact O-CD 3.36Å; G284-R349 WeakPolarHBondContact O-CG 3.43Å; G284-R349 PolarHBondContact O-NE 2.91Å
350G59.8Low67.1Low25 Ų2579.2 Ų79.226%0.25851%0.505SS..PPolyproline II helixtrans-55.7151176.400000112.2G284 E285 P348G284-G350 PolarHBondContact N-O 2.86Å; E285-G350 PolarHBondContact O-N 2.86Å; P348-G350 PolarHBondContact O-N 3.4Å
351P60.9Low66.6Low118 Ų11880.1 Ų80.177%0.76650%0.504SS*.PPolyproline II helixtrans-59.2161.8-177.724.9-34.3000112.5G284 G353G284-P351 PolarHBondContact N-O 3.29Å; P351-G353 PolarHBondContact O-N 3.03Å
352V71.9Confident66.1Low88 Ų8880.7 Ų80.753%0.53351%0.51SS..BIsolated β-bridgetrans-62.9124.7171.4-171.30000108.7P280 G281 P283P280-V352 HydrophobicContact CB-CG1 3.87Å; G281-V352 VanDerWaalsContact O-CG1 3.23Å; G281-V352 WeakPolarHBondContact O-CG1 3.32Å; P283-V352 HydrophobicContact CB-CG2 4.16Å; P283-V352 HydrophobicContact CG-CG2 4.24Å
353G63.3Low65.8Low22 Ų2281 Ų8123%0.22751%0.511CS..PPolyproline II helixtrans-57.7144.7176.400000111.2G281 P351G281-G353 PolarHBondContact N-O 2.98Å; P351-G353 PolarHBondContact O-N 3.03Å
354P62.2Low65.5Low112 Ų11279.5 Ų79.573%0.72750%0.502SS*.PPolyproline II helixtrans-55.3133.4-178.123.7-33.7000109.9G356P354-G356 PolarHBondContact O-N 3.2Å
355P72.3Confident65.2Low47 Ų4780.2 Ų80.231%0.30551%0.51SS..PPolyproline II helixtrans-58.7140.6178.8-18.427.7000110.3R277 P279 P280R277-P355 PolarHBondContact NE-O 3.26Å; R277-P355 PolarHBondContact NH2-O 3.01Å; P279-P355 WeakPolarHBondContact O-CA 3.5Å; P280-P355 HydrophobicContact CB-CG 4.26Å; P280-P355 HydrophobicContact CG-CB 4.45Å; P280-P355 HydrophobicContact CG-CG 4.23Å
356G66.6Low65.2Low21 Ų2180.9 Ų80.922%0.21651%0.512CS..PPolyproline II helixtrans-54.1164.7-167.900000114.2R277 G278 P279 P354R277-G356 WeakPolarHBondContact CG-O 3.48Å; R277-G356 PolarHBondContact NE-O 3.12Å; R277-G356 VanDerWaalsContact NE-O 3.08Å; G278-G356 PolarHBondContact O-N 3.48Å; P279-G356 PolarHBondContact O-N 3.36Å; P354-G356 PolarHBondContact O-N 3.2Å
357P64.3Low64.8Low119 Ų11981.6 Ų81.677%0.77352%0.517SS*.PPolyproline II helixtrans-55.4151.6173.125.7-34.2000110.6G278G278-P357 PolarHBondContact N-O 2.89Å
358S67.6Low64.5Low76 Ų7682.6 Ų82.653%0.53153%0.527SS..PPolyproline II helixtrans-61142.6167.5-58.40000109.6
359G65.4Low64.3Low30 Ų3081 Ų8131%0.30952%0.524SS..EExtended strand (participates in β ladder)trans-60.5140.7172.600000109.8G275G275-G359 PolarHBondContact N-O 3.18Å; G275-G359 VanDerWaalsContact N-O 3.08Å; G275-G359 PolarHBondContact O-N 3.17Å
360Q66.8Low63.8Low189 Ų18977.9 Ų77.988%0.88352%0.524SS*.EExtended strand (participates in β ladder)trans-55.1148176.9-62.4-174.313.200110.2G362Q360-G362 PolarHBondContact O-N 3.21Å
361N66.8Low63.5Low107 Ų10778.2 Ų78.257%0.57253%0.527SS*.EExtended strand (participates in β ladder)trans-57137.3175.2-67.5-7.9000109.5A274 T363A274-N361 WeakPolarHBondContact CA-OD1 3.26Å; A274-N361 VanDerWaalsContact CB-OD1 3.31Å; A274-N361 WeakPolarHBondContact CB-OD1 3.44Å; N361-T363 PolarHBondContact O-N 2.99Å
362G61Low63.2Low32 Ų3278.6 Ų78.633%0.3353%0.53SS..EExtended strand (participates in β ladder)trans-57.3135.1174.400000110G272 Q360G272-G362 PolarHBondContact N-O 3.34Å; G272-G362 PolarHBondContact O-N 3.49Å; G272-G362 VanDerWaalsContact O-N 3.16Å; Q360-G362 PolarHBondContact O-N 3.21Å
363T61.1Low62.7Low130 Ų13077.3 Ų77.380%0.79852%0.522SS*.PPolyproline II helixtrans-52.4134.7177.742.90000109.4N361 G365N361-T363 PolarHBondContact O-N 2.99Å; T363-G365 PolarHBondContact O-N 2.91Å
364P68.6Low62.1Low57 Ų5778.3 Ų78.337%0.3753%0.532SS..PPolyproline II helixtrans-56.5132.4-177.9-25.634.5000110.5P271 T366P271-P364 HydrophobicContact CB-CG 4.25Å; P271-P364 HydrophobicContact CG-CG 4.11Å; P364-T366 PolarHBondContact O-N 3.45Å
365G59.2Low61.6Low35 Ų3577.9 Ų77.936%0.36153%0.529SS..PPolyproline II helixtrans-50138.3-179.700000110.9T363T363-G365 PolarHBondContact O-N 2.91Å
366T61.1Low60.7Low131 Ų13182.2 Ų82.280%0.80454%0.543SS*.PPolyproline II helixtrans-51.2136.8172.437.40000108.9P364 G368P364-T366 PolarHBondContact O-N 3.45Å; T366-G368 PolarHBondContact O-N 3.01Å
367P67.3Low59.7Low77 Ų7782.3 Ų82.350%0.554%0.544SS..PPolyproline II helixtrans-51.5135.1177.3-25.833.9000110.3K268 A369K268-P367 HydrophobicContact CB-CG 4.19Å; K268-P367 HydrophobicContact CD-CG 4.3Å; K268-P367 HydrophobicContact CG-CG 4.08Å; P367-A369 PolarHBondContact O-N 2.94Å
368G56.3Low58.8Low40 Ų4081.5 Ų81.541%0.41253%0.533SS..PPolyproline II helixtrans-54.8131.2177.800000109.5T366T366-G368 PolarHBondContact O-N 3.01Å
369A55.7Low57.8Low90 Ų9086.7 Ų86.774%0.74454%0.541SS*.PPolyproline II helixtrans-49.9136.9178.100000109.4P367 G371P367-A369 PolarHBondContact O-N 2.94Å; A369-G371 PolarHBondContact O-N 3.06Å
370P62.5Low56.7Low90 Ų9086.3 Ų86.358%0.58454%0.537SS*.PPolyproline II helixtrans-49.4132.2-177.2-2935.4000111.2
371G52.9Low55.7Low32 Ų3286.1 Ų86.133%0.3354%0.537SS..PPolyproline II helixtrans-53.6128.4-174.200000110.4A369 V373A369-G371 PolarHBondContact O-N 3.06Å; G371-V373 PolarHBondContact O-N 3.03Å
372P54.9Low55Low126 Ų12692.1 Ų92.182%0.81855%0.551SS**PPolyproline II helixtrans-57.9136.2-175.424-33.8000109.8G374P372-G374 PolarHBondContact O-N 2.97Å
373V61Low54.6Low61 Ų6192 Ų9237%0.3755%0.55SS..PPolyproline II helixtrans-60.3130.7-179.8-175.50000108.8K259 G371K259-V373 HydrophobicContact CD-CG1 4.48Å; K259-V373 HydrophobicContact CG-CG1 4.14Å; G371-V373 PolarHBondContact O-N 3.03Å
374G50.3Low54.4Low42 Ų4292 Ų9243%0.43355%0.552SS.*PPolyproline II helixtrans-50.5131.5-170.500000112.8P372P372-G374 PolarHBondContact O-N 2.97Å
375P52.1Low53.4Low103 Ų10397.4 Ų97.467%0.66958%0.577SS**PPolyproline II helixtrans-70.7157.6-17228.9-35.6000112.8D378P375-D378 WeakPolarHBondContact CB-OD2 3.24Å
376K53.9Low53Low139 Ų13999 Ų9960%0.60459%0.594SS**SBendtrans-104.3103.8163.6160.6178.8156.6158.70104.7V256V256-K376 HydrophobicContact CB-CG 4.22Å; V256-K376 HydrophobicContact CG1-CD 3.75Å; V256-K376 HydrophobicContact CG1-CG 3.94Å; V256-K376 HydrophobicContact CG2-CD 4.43Å; V256-K376 HydrophobicContact CG2-CG 4.1Å
377G44.5Very low52.6Low22 Ų22103.7 Ų103.723%0.22760%0.598CS.*  trans-76.2154.4-153.600000116.4G254 D255G254-G377 CarbonylContact C-O 3.41Å; D255-G377 PolarHBondContact N-O 2.94Å; D255-G377 PolarHBondContact O-N 3.24Å
378D46.7Very low52.1Low103 Ų103106 Ų10655%0.55161%0.613SS**  cis-142.5-80.3-32.5-136.3-90.7000111.2G254 P375G254-D378 VanDerWaalsContact N-N 3.16Å; P375-D378 WeakPolarHBondContact CB-OD2 3.24Å
379R45.2Very low51.9Low184 Ų184107.8 Ų107.869%0.69463%0.632SS**  cis-123.5130.5-19.1-161.2167.7-169.286.3-10.190.3P252 P253P252-R379 VanDerWaalsContact C-CG 3.47Å; P252-R379 HydrophobicContact CB-CG 4Å; P253-R379 VanDerWaalsContact C-CG 3.47Å; P253-R379 HydrophobicContact CB-CB 2.28Å; P253-R379 HydrophobicContact CB-CG 3.86Å; P253-R379 WeakPolarHBondContact CD-O 3.35Å; P253-R379 HydrophobicContact CG-CB 2.3Å; P253-R379 HydrophobicContact CG-CG 3.67Å; P253-R379 WeakPolarHBondContact CG-O 3.24Å; P253-R379 VanDerWaalsContact N-C 3.32Å; P253-R379 WeakPolarHBondContact O-CB 3.26Å; P253-R379 VanDerWaalsContact O-CD 3.29Å; P253-R379 WeakPolarHBondContact O-CD 3.38Å; P253-R379 WeakPolarHBondContact O-CG 3.5Å; P253-R379 PolarHBondContact O-NH1 3.48Å
380G42.9Very low51.9Low22 Ų22112.8 Ų112.823%0.22764%0.64CS.*  trans-127.9145.8156.400000113.5G251 P252G251-G380 CarbonylContact C-O 3.59Å; G251-G380 PolarHBondContact O-N 3.17Å; P252-G380 WeakPolarHBondContact CA-O 3.28Å; P252-G380 VanDerWaalsContact N-O 3.14Å
381E46.5Very low51.5Low186 Ų186119.8 Ų119.887%0.86966%0.655SS**PPolyproline II helixtrans-76.1161.7176.5-67-163.7137.600113.4
382R50.8Low51.6Low232 Ų232121.6 Ų121.688%0.87567%0.673SS**PPolyproline II helixtrans-78.3122.5-171-178.4-170.1-67-179.9-0.4112.3
383G54.2Low51.4Low30 Ų30125.7 Ų125.731%0.30968%0.678SS.*PPolyproline II helixtrans-75.4161.1171.800000115.2
384P55.4Low51.1Low131 Ų131134 Ų13485%0.85170%0.703SS**PPolyproline II helixtrans-79172.8-17533-37000114.7
385L48.2Very low51Low170 Ų170135.1 Ų135.189%0.8971%0.714SS**PPolyproline II helixtrans-77.7142.2-176.7-154.677.8000112.7
386G49.8Very low50.9Low69 Ų69137.6 Ų137.671%0.71172%0.722SS**PPolyproline II helixtrans-85.6154.4179.100000114.9
387Y54Low51.1Low228 Ų228137 Ų13789%0.89473%0.732SS**PPolyproline II helixtrans-80.8156.1178.8-70.7-87.8000113.3
388P55.9Low51.3Low125 Ų125139.6 Ų139.681%0.81276%0.759SS**PPolyproline II helixtrans-68.2142.8175.7-17.231.8000113.1
389G51.6Low51.5Low78 Ų78139.2 Ų139.280%0.80477%0.77SS**PPolyproline II helixtrans-79.9150.2177.500000114.3
390E56.8Low52.4Low196 Ų196136.6 Ų136.692%0.91678%0.777SS**PPolyproline II helixtrans-72.8158.5-178.9-62.9-167.1137.900114.1
391R55Low52.7Low237 Ų237138.8 Ų138.889%0.89480%0.8SS**PPolyproline II helixtrans-85.6120.6-178.9-176.2-175.3-64175.31111
392G53.1Low53.2Low69 Ų69136.4 Ų136.471%0.71180%0.8SS**PPolyproline II helixtrans-58.5147.5177.500000114.7
393F50.8Low53.5Low212 Ų212135.1 Ų135.193%0.9380%0.801SS**PPolyproline II helixtrans-72.4158.5-177.4-69.5-88.9000113.5
394R55.1Low53.3Low236 Ų236137 Ų13789%0.89182%0.82SS**PPolyproline II helixtrans-79.8133.5176.8-177-177-64.5-156.20.4110.2
395G48.6Very low53Low65 Ų65139.7 Ų139.767%0.6782%0.821SS**PPolyproline II helixtrans-74.6157176.200000114.2
396D50.8Low53.6Low155 Ų155137.8 Ų137.883%0.82982%0.819SS**PPolyproline II helixtrans-76.8157.9-170.2-57.3-73000114.9
397P56.8Low53.5Low127 Ų127138.2 Ų138.283%0.82582%0.823SS**PPolyproline II helixtrans-68.2146.1177.7-19.333.4000114.2
398G49.3Very low53.5Low76 Ų76136.8 Ų136.878%0.78483%0.825SS**PPolyproline II helixtrans-74.9155.2174.500000114
399A50.5Low53.1Low96 Ų96140.6 Ų140.679%0.79383%0.829SS**PPolyproline II helixtrans-75.5154.8-175.400000114
400P63.8Low52.8Low129 Ų129140.6 Ų140.684%0.83883%0.829SS**PPolyproline II helixtrans-65.6152.3177-21.134.1000114.2
401G49.9Very low52.2Low68 Ų68139.1 Ų139.170%0.70183%0.826SS**PPolyproline II helixtrans-84.6163.5177.900000114.7
402P56Low51.9Low135 Ų135133.8 Ų133.888%0.87782%0.822SS**PPolyproline II helixtrans-74.1160-179.631.6-36000113.4
403K57.3Low51.7Low206 Ų206138.4 Ų138.490%0.89683%0.831SS**PPolyproline II helixtrans-88.5139.8-179.4-176.4177.9177.6-176.80111.4
404G50.5Low52Low68 Ų68134.6 Ų134.670%0.70182%0.819SS**PPolyproline II helixtrans-77.2165.2-179.900000115.4
405E49.8Very low52.3Low189 Ų189127.3 Ų127.388%0.88380%0.804SS**PPolyproline II helixtrans-91.6161.8-171.7-62.8-179.9157.400113.8
406P59.4Low53Low129 Ų129130.2 Ų130.284%0.83880%0.803SS**PPolyproline II helixtrans-78.2151.6-179.4-11.429.5000113.8
407G48.9Very low53.8Low78 Ų78128.7 Ų128.780%0.80479%0.791SS**PPolyproline II helixtrans-89.3160.1179.300000115.6
408E54.6Low54.4Low198 Ų198128.5 Ų128.593%0.92578%0.781SS**  trans-86.7175.6-175.1-58.2-173.2132.100114.3
409K46.9Very low55.7Low205 Ų205131.3 Ų131.389%0.89177%0.772SS**  trans-105.5152.3-173.5-63.2176.3-177.3174.30112.3
410G44.3Very low56.8Low78 Ų78131.9 Ų131.980%0.80476%0.758SS**  trans-77.5167-174.700000116.3
411L45.3Very low57.4Low166 Ų166130.7 Ų130.787%0.86975%0.745SS**  trans-93.1159.7-175.7-71.990.7000113.5
412P48.7Very low58.9Low125 Ų125132.4 Ų132.481%0.81274%0.737SS**  trans-88.7-178.2-175.336.9-37.9000115.6
413D49.1Very low60.2Low165 Ų165131.2 Ų131.288%0.88272%0.72SS**PPolyproline II helixtrans-59.8158.9-165.1-84.3-60.1000119.2
414I55.9Low61.1Low133 Ų133124.5 Ų124.568%0.68270%0.703SS**PPolyproline II helixtrans-93.5136174.8-60.9174.2000110.2M418I414-M418 HydrophobicContact CG2-CE 3.82Å; I414-M418 HydrophobicContact CG2-SD 4.33Å
415S61.4Low62.5Low82 Ų82126.5 Ų126.557%0.57370%0.697SS**PPolyproline II helixtrans-63.2135.5-175.4-178.10000114.2Q417 M418S415-Q417 PolarHBondContact O-N 2.95Å; S415-Q417 VanDerWaalsContact O-N 3.12Å; S415-Q417 PolarHBondContact OG-N 3.41Å; S415-M418 PolarHBondContact O-N 2.96Å; S415-M418 VanDerWaalsContact O-N 3.15Å
416L64.6Low64.1Low127 Ų127122.8 Ų122.867%0.66568%0.683SS**THydrogen-bonded Turntrans-58.8-23.4178.6-151.7148000113M418 F419L416-M418 VanDerWaalsContact C-N 3.32Å; L416-M418 PolarHBondContact O-N 2.92Å; L416-F419 WeakPolarHBondContact O-CB 3.05Å; L416-F419 PolarHBondContact O-N 2.84Å
417Q65.8Low65.4Low123 Ų123121.6 Ų121.658%0.57567%0.666SS**Hα-helixtrans-54.8-45.9174.3-150.779.136.200112S415 F419 Q420 D421S415-Q417 PolarHBondContact O-N 2.95Å; S415-Q417 VanDerWaalsContact O-N 3.12Å; S415-Q417 PolarHBondContact OG-N 3.41Å; Q417-F419 PolarHBondContact O-N 3.35Å; Q417-F419 VanDerWaalsContact O-N 3.13Å; Q417-Q420 PolarHBondContact O-N 2.99Å; Q417-D421 PolarHBondContact O-N 3.48Å
418M70.5Confident67.2Low122 Ų122122 Ų12260%0.60165%0.649SS**Hα-helixtrans-67.1-18.4-174.2-161-175.279.200112.9I414 S415 L416I414-M418 HydrophobicContact CG2-CE 3.82Å; I414-M418 HydrophobicContact CG2-SD 4.33Å; S415-M418 PolarHBondContact O-N 2.96Å; S415-M418 VanDerWaalsContact O-N 3.15Å; L416-M418 VanDerWaalsContact C-N 3.32Å; L416-M418 PolarHBondContact O-N 2.92Å
419F75.5Confident68.6Low136 Ų136117.6 Ų117.660%0.59663%0.632SS**Hα-helixtrans-78.5-32.9174.6-171.3-93.4000112.2L416 Q417 Q423L416-F419 WeakPolarHBondContact O-CB 3.05Å; L416-F419 PolarHBondContact O-N 2.84Å; Q417-F419 PolarHBondContact O-N 3.35Å; Q417-F419 VanDerWaalsContact O-N 3.13Å; F419-Q423 PolarHBondContact O-N 3.38Å
420Q75.4Confident70.3Confident108 Ų108110.5 Ų110.551%0.50561%0.611SS.*Hα-helixtrans-72.5-43-178.5-63.5-177.8-7.600111.4Q417 L422 Q423 A424Q417-Q420 PolarHBondContact O-N 2.99Å; Q420-L422 PolarHBondContact O-N 3.31Å; Q420-Q423 PolarHBondContact O-N 3.18Å; Q420-A424 PolarHBondContact O-N 3.35Å
421D76.6Confident72.1Confident104 Ų104115 Ų11556%0.55660%0.604SS**Hα-helixtrans-61.5-43.7176.2-61.3-34.1000111.4Q417 Q423 A424 D425Q417-D421 PolarHBondContact O-N 3.48Å; D421-Q423 PolarHBondContact O-N 2.88Å; D421-A424 PolarHBondContact O-N 3.23Å; D421-D425 PolarHBondContact O-N 3.44Å
422L80.7Confident74.1Confident103 Ų103114.7 Ų114.754%0.53959%0.591SS.*Hα-helixtrans-60.5-32.4177.4-171.271.7000112.7Q420 L426Q420-L422 PolarHBondContact O-N 3.31Å; L422-L426 WeakPolarHBondContact O-CG 3.09Å; L422-L426 PolarHBondContact O-N 2.87Å
423Q82.1Confident75.6Confident110 Ų110111.9 Ų111.951%0.51457%0.572SS.*Hα-helixtrans-72.7-35.7178.7-172.3172.7-21.800112.1F419 Q420 D421 L426 E427F419-Q423 PolarHBondContact O-N 3.38Å; Q420-Q423 PolarHBondContact O-N 3.18Å; D421-Q423 PolarHBondContact O-N 2.88Å; Q423-L426 PolarHBondContact O-N 3.19Å; Q423-E427 PolarHBondContact O-N 3.25Å
424A76.4Confident77Confident65 Ų65108.3 Ų108.354%0.53756%0.556SS.*Hα-helixtrans-67.2-42.6177.500000112.5Q420 D421 L426 E427 L428Q420-A424 PolarHBondContact O-N 3.35Å; D421-A424 PolarHBondContact O-N 3.23Å; A424-L426 VanDerWaalsContact C-N 3.3Å; A424-L426 PolarHBondContact O-N 3.48Å; A424-E427 PolarHBondContact O-N 3.24Å; A424-L428 PolarHBondContact O-N 2.95Å
425D80.8Confident78Confident110 Ų110107.4 Ų107.459%0.58855%0.552SS**Hα-helixtrans-61.9-37.4176.4-91.4-14.6000112.3D421 L428 L429D421-D425 PolarHBondContact O-N 3.44Å; D425-L428 PolarHBondContact O-N 3.07Å; D425-L429 WeakPolarHBondContact O-CB 3.25Å; D425-L429 PolarHBondContact O-N 3.3Å
426L83.8Confident78.4Confident111 Ų111108.2 Ų108.258%0.58155%0.549SS*.Hα-helixtrans-65.5-39.8178.4-79.5167.2000112.9L422 Q423 A424 L429 A430L422-L426 WeakPolarHBondContact O-CG 3.09Å; L422-L426 PolarHBondContact O-N 2.87Å; Q423-L426 PolarHBondContact O-N 3.19Å; A424-L426 VanDerWaalsContact C-N 3.3Å; A424-L426 PolarHBondContact O-N 3.48Å; L426-L429 PolarHBondContact O-N 2.04Å; L426-A430 WeakPolarHBondContact O-CB 3.03Å; L426-A430 PolarHBondContact O-N 3Å
427E85.8Confident78.7Confident104 Ų104108 Ų10849%0.48655%0.545SS..Hα-helixtrans-63.3-43.1174.4-82.2-155.7-159.100112.4Q423 A424 L429 A430 R431Q423-E427 PolarHBondContact O-N 3.25Å; A424-E427 PolarHBondContact O-N 3.24Å; E427-L429 VanDerWaalsContact C-N 3.28Å; E427-L429 PolarHBondContact O-N 2.89Å; E427-A430 PolarHBondContact O-N 3.34Å; E427-R431 WeakPolarHBondContact O-CG 3.4Å; E427-R431 PolarHBondContact O-N 3.17Å; E427-R431 VanDerWaalsContact O-N 3.1Å; E427-R431 IonicContact OE2-CZ 2.62Å; E427-R431 IonicContact OE2-NH2 2.92Å; E427-R431 PolarHBondContact OE2-NH2 3.07Å
428L86.9Confident78.9Confident86 Ų86105.3 Ų105.345%0.4554%0.544SS..Hα-helixtrans-63.8-37179.4-175.663.7000111.5A424 D425 R432A424-L428 PolarHBondContact O-N 2.95Å; D425-L428 PolarHBondContact O-N 3.07Å; L428-R432 WeakPolarHBondContact O-CG 3.38Å; L428-R432 PolarHBondContact O-N 2.05Å
429L84.9Confident78.9Confident107 Ų107105.1 Ų105.156%0.5654%0.544SS*.Hα-helixtrans-70.5-43.4177.5-147.7162.7000111.2D425 L426 E427 R431 R432 V433D425-L429 WeakPolarHBondContact O-CB 3.25Å; D425-L429 PolarHBondContact O-N 3.3Å; L426-L429 PolarHBondContact O-N 2.04Å; E427-L429 VanDerWaalsContact C-N 3.28Å; E427-L429 PolarHBondContact O-N 2.89Å; L429-R431 PolarHBondContact O-N 3.09Å; L429-R432 PolarHBondContact O-N 3.31Å; L429-V433 HydrophobicContact CD2-CG2 4.13Å; L429-V433 PolarHBondContact O-N 2.95Å; L429-V433 VanDerWaalsContact O-N 3.16Å
430A81.7Confident78.6Confident56 Ų56104.1 Ų104.146%0.46354%0.544SS..Hα-helixtrans-57.4-49.517600000112.3L426 E427 R432 V433 T434L426-A430 WeakPolarHBondContact O-CB 3.03Å; L426-A430 PolarHBondContact O-N 3Å; E427-A430 PolarHBondContact O-N 3.34Å; A430-R432 PolarHBondContact O-N 3.16Å; A430-V433 PolarHBondContact O-N 3.03Å; A430-T434 PolarHBondContact O-N 3.44Å; A430-T434 VanDerWaalsContact O-N 3.15Å; A430-T434 PolarHBondContact O-OG1 2.77Å
431R82.9Confident77.6Confident172 Ų172108.9 Ų108.965%0.64956%0.557SS**Hα-helixtrans-58.5-34178.6-67.2-179.9-163.1-162.97.9112.9E427 L429 L435E427-R431 WeakPolarHBondContact O-CG 3.4Å; E427-R431 PolarHBondContact O-N 3.17Å; E427-R431 VanDerWaalsContact O-N 3.1Å; E427-R431 IonicContact OE2-CZ 2.62Å; E427-R431 IonicContact OE2-NH2 2.92Å; E427-R431 PolarHBondContact OE2-NH2 3.07Å; L429-R431 PolarHBondContact O-N 3.09Å; R431-L435 WeakPolarHBondContact O-CB 3.12Å; R431-L435 PolarHBondContact O-N 2.7Å
432R85.6Confident76.7Confident160 Ų160108.6 Ų108.660%0.60456%0.561SS**Hα-helixtrans-71.4-35.3176.8-71.8171.5177.9179.81.1112.6L428 L429 A430 L436L428-R432 WeakPolarHBondContact O-CG 3.38Å; L428-R432 PolarHBondContact O-N 2.05Å; L429-R432 PolarHBondContact O-N 3.31Å; A430-R432 PolarHBondContact O-N 3.16Å; R432-L436 WeakPolarHBondContact O-CG 3.41Å; R432-L436 PolarHBondContact O-N 3.04Å
433V82.3Confident75.6Confident65 Ų65112.3 Ų112.339%0.39458%0.576SS.*Hα-helixtrans-67-48.8176.2174.70000110.7L429 A430 L435 L436 E437L429-V433 HydrophobicContact CD2-CG2 4.13Å; L429-V433 PolarHBondContact O-N 2.95Å; L429-V433 VanDerWaalsContact O-N 3.16Å; A430-V433 PolarHBondContact O-N 3.03Å; V433-L435 PolarHBondContact O-N 3.08Å; V433-L436 WeakPolarHBondContact O-CB 3.37Å; V433-L436 PolarHBondContact O-N 2.99Å; V433-E437 HydrophobicContact CG1-CG 4.39Å; V433-E437 PolarHBondContact O-N 3.28Å
434T76.7Confident74.1Confident90 Ų90112.4 Ų112.455%0.55259%0.586SS**Hα-helixtrans-58.6-36.7178.6-47.50000112.5A430 E437 A438A430-T434 PolarHBondContact O-N 3.44Å; A430-T434 VanDerWaalsContact O-N 3.15Å; A430-T434 PolarHBondContact O-OG1 2.77Å; T434-E437 PolarHBondContact O-N 3.17Å; T434-A438 PolarHBondContact O-N 3.12Å; T434-A438 VanDerWaalsContact O-N 3.11Å
435L78.3Confident72.5Confident114 Ų114117.1 Ų117.160%0.59760%0.602SS**Hα-helixtrans-70.6-33.3177.9-155.2154.6000111.9R431 V433 I439R431-L435 WeakPolarHBondContact O-CB 3.12Å; R431-L435 PolarHBondContact O-N 2.7Å; V433-L435 PolarHBondContact O-N 3.08Å; L435-I439 HydrophobicContact CD2-CD1 3.81Å; L435-I439 WeakPolarHBondContact O-CD1 3.33Å; L435-I439 WeakPolarHBondContact O-CG1 3.26Å; L435-I439 PolarHBondContact O-N 3.2Å
436L68.5Low71.1Confident100 Ų100120.8 Ų120.852%0.52462%0.62SS.*Hα-helixtrans-71.4-38.9171.7-73.1165.7000112.4R432 V433 A438 I439 I440R432-L436 WeakPolarHBondContact O-CG 3.41Å; R432-L436 PolarHBondContact O-N 3.04Å; V433-L436 WeakPolarHBondContact O-CB 3.37Å; V433-L436 PolarHBondContact O-N 2.99Å; L436-A438 VanDerWaalsContact C-N 3.34Å; L436-A438 PolarHBondContact O-N 2.59Å; L436-I439 PolarHBondContact O-N 3Å; L436-I439 VanDerWaalsContact O-N 3.15Å; L436-I440 WeakPolarHBondContact O-CD1 3.26Å; L436-I440 VanDerWaalsContact O-CG1 3.28Å; L436-I440 WeakPolarHBondContact O-CG1 3.18Å; L436-I440 PolarHBondContact O-N 2.94Å
437E70.6Confident69Low121 Ų121118.3 Ų118.357%0.56562%0.622SS**Hα-helixtrans-60.5-43.8175.9-71.1175.8143.700111.2V433 T434 I439 I440 W441V433-E437 HydrophobicContact CG1-CG 4.39Å; V433-E437 PolarHBondContact O-N 3.28Å; T434-E437 PolarHBondContact O-N 3.17Å; E437-I439 VanDerWaalsContact C-N 3.27Å; E437-I439 PolarHBondContact O-N 3.34Å; E437-I440 PolarHBondContact O-N 3.28Å; E437-W441 PolarHBondContact O-N 2.8Å
438A71Confident66.7Low68 Ų68119.7 Ų119.756%0.56264%0.643SS**Hα-helixtrans-63.5-26.4174.800000114.2T434 L436T434-A438 PolarHBondContact O-N 3.12Å; T434-A438 VanDerWaalsContact O-N 3.11Å; L436-A438 VanDerWaalsContact C-N 3.34Å; L436-A438 PolarHBondContact O-N 2.59Å
439I70.1Confident64.5Low117 Ų117118.6 Ų118.660%0.665%0.652SS**Hα-helixtrans-80.4-35.3175.1-70.9167.4000111.4L435 L436 E437L435-I439 HydrophobicContact CD2-CD1 3.81Å; L435-I439 WeakPolarHBondContact O-CD1 3.33Å; L435-I439 WeakPolarHBondContact O-CG1 3.26Å; L435-I439 PolarHBondContact O-N 3.2Å; L436-I439 PolarHBondContact O-N 3Å; L436-I439 VanDerWaalsContact O-N 3.15Å; E437-I439 VanDerWaalsContact C-N 3.27Å; E437-I439 PolarHBondContact O-N 3.34Å
440I69.8Low62.3Low116 Ų116121.8 Ų121.860%0.59567%0.67SS**Hα-helixtrans-82.9-27.8-176.2-62.8162.1000111.3L436 E437L436-I440 WeakPolarHBondContact O-CD1 3.26Å; L436-I440 VanDerWaalsContact O-CG1 3.28Å; L436-I440 WeakPolarHBondContact O-CG1 3.18Å; L436-I440 PolarHBondContact O-N 2.94Å; E437-I440 PolarHBondContact O-N 3.28Å
441W54.4Low60Low208 Ų208122.6 Ų122.679%0.78868%0.684SS**  trans-13177.9177.7-124.7-83.9000111.9E437 E443E437-W441 PolarHBondContact O-N 2.8Å; W441-E443 PolarHBondContact O-N 3.43Å
442P57.8Low58.4Low97 Ų97120 Ų12063%0.6369%0.69SS**  trans-61.6131.4163.727.4-33.5000109.3
443E58.2Low56.1Low182 Ų182123.1 Ų123.185%0.8571%0.708SS**  trans-62.6139175.1-70-171.7102.800110.4W441 D445W441-E443 PolarHBondContact O-N 3.43Å; E443-D445 PolarHBondContact O-N 3.18Å
444P49.8Very low54Low112 Ų112123.4 Ų123.473%0.72772%0.724SS**  trans-74.3115.8175.629.6-32.4000110.2L446P444-L446 PolarHBondContact O-N 2.81Å; P444-L446 VanDerWaalsContact O-N 3.16Å
445D43.9Very low52.3Low163 Ų163125.9 Ų125.987%0.87274%0.739SS**  trans-52.9118.7173.8-84.5-52.8000111.5E443 G447E443-D445 PolarHBondContact O-N 3.18Å; D445-G447 PolarHBondContact O-N 2.94Å
446L50.9Low50.3Low187 Ų187125.3 Ų125.398%0.97974%0.744SS**  trans-79.172.1173.8-77167.4000110.2P444P444-L446 PolarHBondContact O-N 2.81Å; P444-L446 VanDerWaalsContact O-N 3.16Å
447G39Very low48.4Very low59 Ų59126.2 Ų126.261%0.60876%0.759SS**  trans-132.8115.7-175.300000114.9D445D445-G447 PolarHBondContact O-N 2.94Å
448S38.8Very low47.2Very low134 Ų134126.3 Ų126.394%0.93777%0.771SS**  trans36.8130.7150.9-58.80000122.5
449G40.7Very low45.6Very low62 Ų62127.8 Ų127.864%0.63978%0.777SS**  115.4111.2122.100000118.7
450D37.1Very low43.8Very low174 Ų174132.1 Ų132.193%0.9379%0.792SS**  trans48111.7131.9-48.9-39.7000121.1
451G34.3Very low42.3Very low74 Ų74136.1 Ų136.176%0.76380%0.801SS**  trans173.2130.2162.500000112.9
452P49.2Very low41.3Very low118 Ų118136.5 Ų136.577%0.76680%0.802SS**  trans-125.6105.4-145.835.8-17.9000115.8
453F37.6Very low40.2Very low225 Ų225136.5 Ų136.599%0.98780%0.797SS**  trans-147.1104.9151.2-80.1-66.7000110.5
454G37.8Very low38.9Very low71 Ų71136.4 Ų136.473%0.73279%0.794SS**  trans-130.2131.6176.900000112.1
455T41.2Very low38.2Very low141 Ų141142.6 Ų142.687%0.86580%0.802SS**  trans177.8148.1153.727.10000107.2
456S35.7Very low37.8Very low102 Ų102139.7 Ų139.771%0.71380%0.801SS**  cis-167141.9-21.946.80000108.8
457S29.7Very low36.8Very low120 Ų120134.8 Ų134.884%0.83980%0.795SS**  trans-157.9145.7154.1-83.30000109.2
458P44Very low36.5Very low123 Ų123137.1 Ų137.180%0.79981%0.809SS**  trans-88.6149.4-154.633.4-36.7000114.6
459S37.1Very low36.4Very low99 Ų99135.1 Ų135.169%0.69280%0.795SS**  trans-88.6149.3166.452.50000111.5
460F33.9Very low36.3Very low208 Ų208138.3 Ų138.391%0.91280%0.804SS**  trans-121130.3157.4-105.4-90.5000108.6
461Y37.4Very low36Very low200 Ų200138.4 Ų138.478%0.78480%0.799SS**  trans-64167.9172.4-82.7-107.3000110.1
462R33.7Very low35.8Very low215 Ų215146.3 Ų146.381%0.81181%0.806SS**  cis-174.6136.645.1-159.7149.9-177.7174.65.8116.9
463D34.6Very low35Very low98 Ų98148.9 Ų148.952%0.52481%0.812SS.*  trans59.5137.6142.9-78.8-51.3000126.5
464K30.7Very low34.6Very low180 Ų180142.4 Ų142.478%0.78380%0.8SS**  trans66.1120.5139.9-67.6167.1-174.5177.70119.9
465R35.5Very low34.3Very low241 Ų241144.5 Ų144.591%0.90980%0.804SS**  cis-147.9140.741.5-63.7174.5-171.3-167.50.8109.1
466A34.3Very low34.3Very low103 Ų103143.6 Ų143.685%0.85180%0.8SS**  cis81.6107.54600000114.8
467G29.4Very low34.1Very low83 Ų83146.7 Ų146.786%0.85681%0.808SS**  trans128.587.7156.600000118.5
468A33.7Very low34.1Very low109 Ų109150.6 Ų150.690%0.90181%0.81SS**  trans170.1139.7141.200000110.9
469S36Very low33.8Very low91 Ų91151.1 Ų151.164%0.63681%0.811SS**  trans-104.3148.117949.40000112.8
470P38.2Very low33.7Very low129 Ų129152.6 Ų152.684%0.83881%0.811SS**PPolyproline II helixtrans-74.1132174.530.8-33.5000111.2
471H31.7Very low34Very low177 Ų177149.1 Ų149.182%0.81981%0.808SS**PPolyproline II helixtrans-83.8127.5174-84-83.1000111.7
472R29.8Very low33.9Very low239 Ų239148.7 Ų148.790%0.90281%0.81SS**PPolyproline II helixtrans-87.5125.6173.2-171.4-173-163.5-175.56.9108.9
473L31.7Very low34Very low173 Ų173145 Ų14591%0.90681%0.811SS**  trans-120.6130.5167.1-81.7170000109.2
474A30.2Very low33.9Very low89 Ų89151.4 Ų151.474%0.73683%0.828SS**  trans-111.7149.6176.200000109.6
475S31Very low34.2Very low114 Ų114146.3 Ų146.380%0.79783%0.826SS**  trans-70.4135.7179.9-48.90000111.8L477S475-L477 PolarHBondContact O-N 3.22Å
476P41.4Very low34.2Very low123 Ų123148.6 Ų148.680%0.79984%0.842SS**  trans-79.3115.3164.231.1-30.3000110
477L32.7Very low34.2Very low166 Ų166150.9 Ų150.987%0.86984%0.842SS**  trans-82.3135.9153.9-73.5170.4000107.9S475S475-L477 PolarHBondContact O-N 3.22Å
478F29.6Very low34.4Very low202 Ų202154.4 Ų154.489%0.88684%0.841SS**  trans-145.6106.5160-120.5-77.9000111.6
479T36.6Very low34.4Very low134 Ų134156.9 Ų156.982%0.82284%0.838SS**  trans-92.6127.6156.4490000108.3
480D36.2Very low34.3Very low130 Ų130160.8 Ų160.870%0.69585%0.85SS**  -155.6148.1129.3-156.2-3.5000110.3
481T39.3Very low34.1Very low136 Ų136162.8 Ų162.883%0.83485%0.851SS**  trans-123.3101.6173.849.70000108.3
482K34.7Very low34.3Very low191 Ų191161.9 Ų161.983%0.8385%0.853SS**  trans-135.5105.8176-147.4157.3-167.2166.20115
483V36.7Very low34.6Very low137 Ų137156.4 Ų156.483%0.8385%0.849SS**  trans-63.1137.1168.5178.60000110.8
484R31.6Very low34.8Very low233 Ų233155.1 Ų155.188%0.87985%0.845SS**  161.7118121174.7167-79.7-156.2-6114.8
485G38.1Very low35.2Very low73 Ų73160.6 Ų160.675%0.75385%0.854SS**  trans78148152.200000116.4
486K34.5Very low35.6Very low288 Ų288164.8 Ų164.8100%1.25286%0.859SS**  cis-1270-4.8-82.2-175.1175.3-179.50109.7

Retrieved 486 of 486 residues in 525.4 ms (Link to these results)