A0A087X4N1_POEFO Loading...

TGF-beta family profile domain-containing protein

AlphaFold DB , UniProt , Accession A0A087X4N1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 226 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
1M55.1Low68.3Low241 Ų241135.7 Ų135.7100%1.18768%0.678SS**  064.60-61.4179.7-178.100112.5
2K60.9Low70Confident187 Ų187132.7 Ų132.781%0.81367%0.672SS**  trans-143.68.6177.1-72-175.5-178.6171.40115.4
3L61.4Low71.4Confident165 Ų165132.2 Ų132.286%0.86467%0.671SS**SBendtrans-89.1-17.3-177.8-71.4169000114.3K5L3-K5 PolarHBondContact O-N 3.5Å
4W59.4Low72.3Confident225 Ų225128.1 Ų128.185%0.85266%0.659SS**Hα-helixtrans-76.9-22.7-177.2-131.1-2.3000114.1A7 T8W4-A7 PolarHBondContact O-N 2.96Å; W4-T8 PolarHBondContact O-N 3.13Å
5K60.5Low73.1Confident153 Ų153123.7 Ų123.767%0.66565%0.649SS**Hα-helixtrans-66.2-40.5177.7-66.4-176.4178.9-174.30111.2L3 A7 T8 F9L3-K5 PolarHBondContact O-N 3.5Å; K5-A7 VanDerWaalsContact C-N 3.35Å; K5-A7 PolarHBondContact O-N 3.16Å; K5-T8 PolarHBondContact O-N 3.45Å; K5-T8 PolarHBondContact O-OG1 2.98Å; K5-F9 WeakPolarHBondContact O-CD2 3.44Å; K5-F9 PolarHBondContact O-N 3.01Å
6G64.2Low74.1Confident49 Ų49119.1 Ų119.151%0.50563%0.634SS.*Hα-helixtrans-61.5-40.8175.200000113.1T8 F9 A10G6-T8 PolarHBondContact O-N 3.27Å; G6-F9 PolarHBondContact O-N 2.78Å; G6-A10 PolarHBondContact O-N 2.79Å; G6-A10 VanDerWaalsContact O-N 3.12Å
7A72.1Confident74.8Confident33 Ų33115.2 Ų115.227%0.27362%0.623SS.*Hα-helixtrans-62.8-42.4177.400000112W4 K5 F9 A10 F11W4-A7 PolarHBondContact O-N 2.96Å; K5-A7 VanDerWaalsContact C-N 3.35Å; K5-A7 PolarHBondContact O-N 3.16Å; A7-F9 PolarHBondContact O-N 2.84Å; A7-A10 PolarHBondContact O-N 3.13Å; A7-F11 HydrophobicContact CB-CE2 4.46Å; A7-F11 WeakPolarHBondContact O-CD2 3.31Å; A7-F11 PolarHBondContact O-N 3.26Å
8T75.6Confident75.3Confident78 Ų78114.7 Ų114.748%0.47962%0.619SS.*Hα-helixtrans-62.5-40.6178.353.50000113W4 K5 G6 F11 V12W4-T8 PolarHBondContact O-N 3.13Å; K5-T8 PolarHBondContact O-N 3.45Å; K5-T8 PolarHBondContact O-OG1 2.98Å; G6-T8 PolarHBondContact O-N 3.27Å; T8-F11 PolarHBondContact O-N 3.37Å; T8-V12 VanDerWaalsContact O-CG2 3.29Å; T8-V12 WeakPolarHBondContact O-CG2 3.4Å; T8-V12 PolarHBondContact O-N 3.47Å; T8-V12 VanDerWaalsContact O-N 3.08Å
9F78.3Confident75.6Confident145 Ų145111.6 Ų111.664%0.63661%0.607SS**Hα-helixtrans-65.6-38.7175.4-73.1-68.6000112.5K5 G6 A7 V12 L13K5-F9 WeakPolarHBondContact O-CD2 3.44Å; K5-F9 PolarHBondContact O-N 3.01Å; G6-F9 PolarHBondContact O-N 2.78Å; A7-F9 PolarHBondContact O-N 2.84Å; F9-V12 PolarHBondContact O-N 3.05Å; F9-L13 WeakPolarHBondContact O-CG 3.43Å; F9-L13 PolarHBondContact O-N 2.85Å
10A81.4Confident75.7Confident60 Ų60110.5 Ų110.550%0.49660%0.604SS.*Hα-helixtrans-64.3-42.8176.300000112.1G6 A7 L13 C14G6-A10 PolarHBondContact O-N 2.79Å; G6-A10 VanDerWaalsContact O-N 3.12Å; A7-A10 PolarHBondContact O-N 3.13Å; A10-L13 PolarHBondContact O-N 2.69Å; A10-C14 VanDerWaalsContact O-CB 3.31Å; A10-C14 WeakPolarHBondContact O-CB 3.47Å; A10-C14 PolarHBondContact O-N 3.29Å
11F82.4Confident75.8Confident157 Ų157111.8 Ų111.869%0.68960%0.604SS**Hα-helixtrans-65-39.7177-79.5-66.9000112.6A7 T8 C14 A15A7-F11 HydrophobicContact CB-CE2 4.46Å; A7-F11 WeakPolarHBondContact O-CD2 3.31Å; A7-F11 PolarHBondContact O-N 3.26Å; T8-F11 PolarHBondContact O-N 3.37Å; F11-C14 PolarHBondContact O-N 3.41Å; F11-A15 WeakPolarHBondContact O-CB 3.21Å; F11-A15 PolarHBondContact O-N 2.83Å
12V88.5Confident76.9Confident99 Ų99105.7 Ų105.760%0.658%0.576SS**Hα-helixtrans-65.8-43.3177.7172.40000111.3T8 F9 A15 A16T8-V12 VanDerWaalsContact O-CG2 3.29Å; T8-V12 WeakPolarHBondContact O-CG2 3.4Å; T8-V12 PolarHBondContact O-N 3.47Å; T8-V12 VanDerWaalsContact O-N 3.08Å; F9-V12 PolarHBondContact O-N 3.05Å; V12-A15 PolarHBondContact O-N 3.18Å; V12-A16 WeakPolarHBondContact O-CB 3.36Å; V12-A16 PolarHBondContact O-N 3.34Å
13L87.8Confident77.6Confident127 Ų127102.4 Ų102.467%0.66557%0.566SS**Hα-helixtrans-65.8-39.4176.8-73.2171.6000112.1F9 A10 A16 A17F9-L13 WeakPolarHBondContact O-CG 3.43Å; F9-L13 PolarHBondContact O-N 2.85Å; A10-L13 PolarHBondContact O-N 2.69Å; L13-A16 PolarHBondContact O-N 3.49Å; L13-A17 WeakPolarHBondContact O-CB 3.13Å; L13-A17 PolarHBondContact O-N 2.89Å
14C84.8Confident78.1Confident75 Ų75104.5 Ų104.551%0.50756%0.562SS.*Hα-helixtrans-68-41.3178.2-149.80000111.7A10 F11 A16 A17 L18A10-C14 VanDerWaalsContact O-CB 3.31Å; A10-C14 WeakPolarHBondContact O-CB 3.47Å; A10-C14 PolarHBondContact O-N 3.29Å; F11-C14 PolarHBondContact O-N 3.41Å; C14-A16 PolarHBondContact O-N 2.8Å; C14-A17 PolarHBondContact O-N 3.22Å; C14-L18 WeakPolarHBondContact O-CB 3.46Å; C14-L18 WeakPolarHBondContact O-CG 2.86Å; C14-L18 PolarHBondContact O-N 3.24Å
15A84.4Confident78.3Confident61 Ų6197.5 Ų97.550%0.50454%0.542SS..Hα-helixtrans-63.4-40.3174.500000112.2F11 V12 L18 S19F11-A15 WeakPolarHBondContact O-CB 3.21Å; F11-A15 PolarHBondContact O-N 2.83Å; V12-A15 PolarHBondContact O-N 3.18Å; A15-L18 PolarHBondContact O-N 3.47Å; A15-S19 WeakPolarHBondContact O-CB 3.28Å; A15-S19 PolarHBondContact O-N 3.13Å
16A88.3Confident78.4Confident50 Ų5095.7 Ų95.741%0.41354%0.537SS..Hα-helixtrans-63.9-44.8175.400000111.6V12 L13 C14 S19 T20V12-A16 WeakPolarHBondContact O-CB 3.36Å; V12-A16 PolarHBondContact O-N 3.34Å; L13-A16 PolarHBondContact O-N 3.49Å; C14-A16 PolarHBondContact O-N 2.8Å; A16-S19 PolarHBondContact O-N 3.31Å; A16-S19 PolarHBondContact O-OG 3.32Å; A16-T20 WeakPolarHBondContact O-CG2 3.3Å; A16-T20 PolarHBondContact O-N 2.81Å; A16-T20 PolarHBondContact O-OG1 2.8Å
17A86.6Confident78Confident54 Ų5496.1 Ų96.145%0.44654%0.536SS..Hα-helixtrans-62-45176.700000112.1L13 C14 S19 T20 F21L13-A17 WeakPolarHBondContact O-CB 3.13Å; L13-A17 PolarHBondContact O-N 2.89Å; C14-A17 PolarHBondContact O-N 3.22Å; A17-S19 VanDerWaalsContact C-N 3.35Å; A17-S19 PolarHBondContact O-N 3.07Å; A17-T20 PolarHBondContact O-N 2.77Å; A17-T20 PolarHBondContact O-OG1 2.82Å; A17-F21 WeakPolarHBondContact O-CB 3.46Å; A17-F21 PolarHBondContact O-N 3.16Å
18L84.5Confident77.2Confident106 Ų10696.9 Ų96.956%0.55554%0.539SS*.Hα-helixtrans-64.1-39.1176.5-70.9171.6000111.9C14 A15 T20 F21 L22C14-L18 WeakPolarHBondContact O-CB 3.46Å; C14-L18 WeakPolarHBondContact O-CG 2.86Å; C14-L18 PolarHBondContact O-N 3.24Å; A15-L18 PolarHBondContact O-N 3.47Å; L18-T20 PolarHBondContact O-N 3.07Å; L18-F21 PolarHBondContact O-N 2.8Å; L18-L22 WeakPolarHBondContact O-CB 3.38Å; L18-L22 VanDerWaalsContact O-CG 3.25Å; L18-L22 WeakPolarHBondContact O-CG 3.45Å; L18-L22 PolarHBondContact O-N 2.76Å
19S81Confident76.2Confident55 Ų5597.2 Ų97.239%0.38554%0.537SS..Hα-helixtrans-63.1-42.9176.777.20000112.3A15 A16 A17 L22 I23A15-S19 WeakPolarHBondContact O-CB 3.28Å; A15-S19 PolarHBondContact O-N 3.13Å; A16-S19 PolarHBondContact O-N 3.31Å; A16-S19 PolarHBondContact O-OG 3.32Å; A17-S19 VanDerWaalsContact C-N 3.35Å; A17-S19 PolarHBondContact O-N 3.07Å; S19-L22 PolarHBondContact O-N 3.27Å; S19-I23 WeakPolarHBondContact O-CD1 3.42Å; S19-I23 WeakPolarHBondContact O-CG1 3.49Å; S19-I23 PolarHBondContact O-N 3.32Å
20T77.6Confident74.8Confident89 Ų8999.9 Ų99.955%0.54654%0.543SS..Hα-helixtrans-68.7-37.4178.358.30000111.8A16 A17 L18 R24A16-T20 WeakPolarHBondContact O-CG2 3.3Å; A16-T20 PolarHBondContact O-N 2.81Å; A16-T20 PolarHBondContact O-OG1 2.8Å; A17-T20 PolarHBondContact O-N 2.77Å; A17-T20 PolarHBondContact O-OG1 2.82Å; L18-T20 PolarHBondContact O-N 3.07Å; T20-R24 WeakPolarHBondContact O-CB 3.4Å; T20-R24 PolarHBondContact O-N 2.75Å
21F77.8Confident73.2Confident138 Ų138104.4 Ų104.461%0.60555%0.554SS**Hα-helixtrans-64.7-44.9174.8-163.7-93.4000111.7A17 L18 R24 N25A17-F21 WeakPolarHBondContact O-CB 3.46Å; A17-F21 PolarHBondContact O-N 3.16Å; L18-F21 PolarHBondContact O-N 2.8Å; F21-R24 PolarHBondContact O-N 3.36Å; F21-N25 WeakPolarHBondContact O-CB 3.33Å; F21-N25 PolarHBondContact O-N 2.82Å
22L76.8Confident71.4Confident113 Ų113105.2 Ų105.259%0.59256%0.557SS**Hα-helixtrans-63.7-41.8177.3-71.9172.5000112.3L18 S19 N25 M26L18-L22 WeakPolarHBondContact O-CB 3.38Å; L18-L22 VanDerWaalsContact O-CG 3.25Å; L18-L22 WeakPolarHBondContact O-CG 3.45Å; L18-L22 PolarHBondContact O-N 2.76Å; S19-L22 PolarHBondContact O-N 3.27Å; L22-N25 PolarHBondContact O-N 3.18Å; L22-M26 WeakPolarHBondContact O-CB 3.28Å; L22-M26 VanDerWaalsContact O-CG 3.22Å; L22-M26 WeakPolarHBondContact O-CG 3.15Å; L22-M26 PolarHBondContact O-N 3.21Å
23I76.5Confident69.2Low119 Ų119110.8 Ų110.861%0.6157%0.567SS**Hα-helixtrans-64.5-41.6176.7-67163.7000110.7S19 M26 A27S19-I23 WeakPolarHBondContact O-CD1 3.42Å; S19-I23 WeakPolarHBondContact O-CG1 3.49Å; S19-I23 PolarHBondContact O-N 3.32Å; I23-M26 PolarHBondContact O-N 2.84Å; I23-A27 PolarHBondContact O-N 2.03Å
24R70.9Confident67.1Low208 Ų208110.7 Ų110.779%0.78557%0.572SS**Hα-helixtrans-68.6-35.5179.8-161.3172.2177.7155.9-1.4112.3T20 F21 A27 S28T20-R24 WeakPolarHBondContact O-CB 3.4Å; T20-R24 PolarHBondContact O-N 2.75Å; F21-R24 PolarHBondContact O-N 3.36Å; R24-A27 PolarHBondContact O-N 2.79Å; R24-S28 PolarHBondContact O-N 2.87Å
25N65.1Low65.1Low78 Ų78115.8 Ų115.842%0.41759%0.588SS.*Hα-helixtrans-74.2-31.2175.1-127-7.8000112.7F21 L22 S28 I29F21-N25 WeakPolarHBondContact O-CB 3.33Å; F21-N25 PolarHBondContact O-N 2.82Å; L22-N25 PolarHBondContact O-N 3.18Å; N25-S28 PolarHBondContact O-OG 2.95Å; N25-I29 WeakPolarHBondContact O-CD1 3.21Å; N25-I29 WeakPolarHBondContact O-CG1 3.27Å; N25-I29 PolarHBondContact O-N 2.92Å
26M62Low63Low115 Ų115116.8 Ų116.857%0.56760%0.597SS**Hα-helixtrans-72.2-30.7172.8-70.1-79.686.300112.4L22 I23 I29 R30L22-M26 WeakPolarHBondContact O-CB 3.28Å; L22-M26 VanDerWaalsContact O-CG 3.22Å; L22-M26 WeakPolarHBondContact O-CG 3.15Å; L22-M26 PolarHBondContact O-N 3.21Å; I23-M26 PolarHBondContact O-N 2.84Å; M26-I29 HydrophobicContact CE-CB 4.42Å; M26-I29 HydrophobicContact CE-CD1 3.48Å; M26-I29 VanDerWaalsContact CE-CD1 3.48Å; M26-R30 PolarHBondContact O-N 3.48Å
27A55.6Low60.5Low58 Ų58123.2 Ų123.248%0.47962%0.615SS.*Hα-helixtrans-67.2-41.6173.900000112.2I23 R24 R30 E31I23-A27 PolarHBondContact O-N 2.03Å; R24-A27 PolarHBondContact O-N 2.79Å; A27-R30 PolarHBondContact O-N 3.06Å; A27-E31 PolarHBondContact O-N 2.95Å
28S54.8Low58Low50 Ų50129.8 Ų129.835%0.3564%0.636SS.*Hα-helixtrans-68.6-35.5177.362.40000113R24 N25 R30 E31 F32R24-S28 PolarHBondContact O-N 2.87Å; N25-S28 PolarHBondContact O-OG 2.95Å; S28-R30 VanDerWaalsContact C-N 3.28Å; S28-R30 PolarHBondContact O-N 2.95Å; S28-E31 PolarHBondContact O-N 2.89Å; S28-F32 PolarHBondContact O-N 2.8Å
29I55.2Low55.8Low84 Ų84131.1 Ų131.143%0.43165%0.651SS.*Hα-helixtrans-68.3-28.7175.1-69.7165.9000111.7N25 M26 R33N25-I29 WeakPolarHBondContact O-CD1 3.21Å; N25-I29 WeakPolarHBondContact O-CG1 3.27Å; N25-I29 PolarHBondContact O-N 2.92Å; M26-I29 HydrophobicContact CE-CB 4.42Å; M26-I29 HydrophobicContact CE-CD1 3.48Å; M26-I29 VanDerWaalsContact CE-CD1 3.48Å; I29-R33 PolarHBondContact O-N 3.11Å
30R48.2Very low53.3Low202 Ų202140 Ų14076%0.76268%0.677SS**Hα-helixtrans-72.3-31.8176.5-160.1175-1751791.3112.4M26 A27 S28M26-R30 PolarHBondContact O-N 3.48Å; A27-R30 PolarHBondContact O-N 3.06Å; S28-R30 VanDerWaalsContact C-N 3.28Å; S28-R30 PolarHBondContact O-N 2.95Å
31E48.2Very low51Low155 Ų155140.7 Ų140.772%0.72469%0.691SS**Hα-helixtrans-71.8-37.7173.4-71.5-172.3163.400112.1A27 S28 R33 V34A27-E31 PolarHBondContact O-N 2.95Å; S28-E31 PolarHBondContact O-N 2.89Å; E31-R33 PolarHBondContact O-N 3.08Å; E31-V34 PolarHBondContact O-N 2.92Å
32F44.1Very low48.8Very low173 Ų173139.5 Ų139.576%0.75970%0.7SS**Hα-helixtrans-68-31.9176.6-100.9-87.1000113.9S28 V34 Q35S28-F32 PolarHBondContact O-N 2.8Å; F32-V34 VanDerWaalsContact C-N 3.28Å; F32-V34 PolarHBondContact O-N 2.05Å; F32-Q35 PolarHBondContact O-N 3.17Å
33R42.5Very low46.6Very low216 Ų216139.4 Ų139.482%0.81571%0.709SS**Hα-helixtrans-73.9-12.6178.1-95.1-170.4179.2-174.31.9114.8I29 E31I29-R33 PolarHBondContact O-N 3.11Å; E31-R33 PolarHBondContact O-N 3.08Å
34V43.2Very low44.3Very low125 Ų125140.6 Ų140.676%0.75872%0.722SS**Hα-helixtrans-81.9-22.7176.1176.40000111.7E31 F32E31-V34 PolarHBondContact O-N 2.92Å; F32-V34 VanDerWaalsContact C-N 3.28Å; F32-V34 PolarHBondContact O-N 2.05Å
35Q43.1Very low42.3Very low182 Ų182136.5 Ų136.585%0.8573%0.725SS**Hα-helixtrans-95.5-8.8-180-82.9-152.837.400115.9F32 K37F32-Q35 PolarHBondContact O-N 3.17Å; Q35-K37 PolarHBondContact O-N 2.93Å
36A41.9Very low40.6Very low83 Ų83141.6 Ų141.669%0.68675%0.746SS**  trans-99.463.7-177.700000112.7
37K34.8Very low39.8Very low184 Ų184141 Ų14180%0.875%0.751SS**  trans-154.175.9165.2-135.6172.9-168.51800112.9Q35Q35-K37 PolarHBondContact O-N 2.93Å
38H33.8Very low38.6Very low192 Ų192143.4 Ų143.489%0.88977%0.765SS**  trans-171.4113.4140.7-86.2-37.5000111.2
39P37.7Very low38.5Very low134 Ų134146.5 Ų146.587%0.8778%0.783SS**PPolyproline II helixtrans-100.7117151.22.917.3000108.9
40R28.8Very low37.2Very low242 Ų242151.8 Ų151.891%0.91380%0.803SS**PPolyproline II helixtrans-76.6117.6168.2179.1176.7-105.9-160.7-6.5107.4
41A30.2Very low36.2Very low103 Ų103147.1 Ų147.185%0.85180%0.801SS**PPolyproline II helixtrans-78.1133168.900000109.6
42S32.2Very low35.3Very low114 Ų114144.6 Ų144.680%0.79780%0.801SS**  trans-119.2129.6174.543.10000109.1
43S30.3Very low34.5Very low111 Ų111140.8 Ų140.878%0.77680%0.796SS**  trans-151.6101.6161.555.70000106.7
44T28.1Very low33.8Very low144 Ų144138 Ų13888%0.88380%0.795SS**  76.6110.592.3-480000114.1
45S29.5Very low33Very low121 Ų121137 Ų13785%0.84680%0.795SS**  trans-170121.2140.954.70000110.9
46E29.1Very low32.3Very low186 Ų186133.2 Ų133.287%0.86979%0.788SS**  trans-99.1-179.8167.3-100.8-172.8159.400109.7
47P45.4Very low31.7Very low102 Ų102133.9 Ų133.966%0.66279%0.793SS**  cis-140.8174.5-35.238.4-20.2000115.9
48S29.6Very low31.4Very low109 Ų109133.1 Ų133.176%0.76279%0.793SS**  trans80.9166.5147.4-59.40000121.5
49P53.3Low31.4Very low115 Ų115129.4 Ų129.475%0.74779%0.786SS**  -138.8177.3-64.840.8-23.4000113.7
50K26.5Very low31Very low194 Ų194130.1 Ų130.184%0.84378%0.781SS**  trans171.2110.5150.8-95.1160.6-173.4-174.70109.7
51S27.5Very low30.8Very low104 Ų104125.2 Ų125.273%0.72778%0.778SS**  47.2132.693.666.40000113.8
52S28.9Very low31.1Very low103 Ų103128 Ų12872%0.7278%0.777SS**  cis-178.4152.913.641.30000109.2
53S28.1Very low30.9Very low93 Ų93127.7 Ų127.765%0.6577%0.773SS**  trans59.5120.3137.859.30000124.8
54I26.9Very low30.6Very low156 Ų156133.8 Ų133.880%0.878%0.779SS**  92139.4120.5-65.1167.9000121.3
55S28.4Very low30.8Very low106 Ų106136.1 Ų136.174%0.74178%0.78SS**  trans81.5143.2159.2-90.30000117.7
56S27.4Very low30.9Very low102 Ų102136.6 Ų136.671%0.71378%0.778SS**  cis180159.2-5.240.90000107.5
57A28.9Very low31.1Very low96 Ų96136.2 Ų136.279%0.79378%0.776SS**  trans80.9115.9155.700000119.6
58E28.2Very low30.6Very low169 Ų169138.2 Ų138.279%0.7978%0.781SS**  trans-59.9154.9145.8-101.5-158.9152.400110.9
59P33.5Very low31.2Very low114 Ų114141.1 Ų141.174%0.7479%0.787SS**  -148.9151.570.835.3-13.7000118.3
60L29.9Very low30.4Very low148 Ų148146.5 Ų146.578%0.77579%0.793SS**  trans22.4108.5139.2-77.7147.6000119.5
61V25.2Very low31.2Very low139 Ų139148.5 Ų148.584%0.84280%0.795SS**  trans-150.3125.7136-174.90000109.4
62L35.6Very low31.8Very low161 Ų161152.8 Ų152.884%0.84380%0.8SS**  trans-55.7142.2170.7-81.5149.5000112.2
63P28.1Very low32.6Very low109 Ų109154.1 Ų154.171%0.70880%0.804SS**  trans-140.1120.713524.6-4.1000113.3
64W24.2Very low33.8Very low238 Ų238160.6 Ų160.690%0.90282%0.815SS**  55113.6127.7-65.713.9000118.1T66W64-T66 PolarHBondContact O-N 2.03Å
65Q32Very low34.8Very low194 Ų194158.1 Ų158.191%0.90781%0.811SS**  trans-39.8117.8154.9-65.5-174.8-23.200111.2
66T31.9Very low36.2Very low130 Ų130159.2 Ų159.280%0.79881%0.813SS**  trans-12999.8143.119.40000106.9W64 N68W64-T66 PolarHBondContact O-N 2.03Å; T66-N68 PolarHBondContact O-N 3.48Å
67E33.4Very low37.7Very low179 Ų179155.9 Ų155.984%0.83680%0.796SS**  trans-43.599.9167.5-166173.2-17900109.6L69E67-L69 PolarHBondContact O-N 3.45Å
68N35.5Very low39.1Very low144 Ų144158.7 Ų158.777%0.7780%0.797SS**  trans-60.6105.1166.4-87.3-50.7000107.1T66 R70T66-N68 PolarHBondContact O-N 3.48Å; N68-R70 PolarHBondContact O-N 3.03Å
69L41Very low40.7Very low169 Ų169155.1 Ų155.189%0.88578%0.784SS**  trans-59.471.7161.3-83159.3000109E67 R71E67-L69 PolarHBondContact O-N 3.45Å; L69-R71 VanDerWaalsContact C-N 3.31Å; L69-R71 PolarHBondContact O-N 3.35Å
70R38.2Very low42.3Very low229 Ų229155.3 Ų155.386%0.86478%0.776SS**  trans-65.5101.2159.9-78.4-168.2179-177.22105.3N68 K72N68-R70 PolarHBondContact O-N 3.03Å; R70-K72 VanDerWaalsContact C-N 3.33Å; R70-K72 PolarHBondContact O-N 2.91Å
71R41.6Very low44.2Very low235 Ų235154.2 Ų154.289%0.88777%0.771SS**  trans-46.7102.8164.1-150.3-177.5-63.5167.70.2106.6L69 T73L69-R71 VanDerWaalsContact C-N 3.31Å; L69-R71 PolarHBondContact O-N 3.35Å; R71-T73 PolarHBondContact O-N 3.05Å
72K40.3Very low46.6Very low194 Ų194150.2 Ų150.284%0.84375%0.749SS**  trans-62.2100.7-178-174.8166.5-176.2169.80107.1R70 R74R70-K72 VanDerWaalsContact C-N 3.33Å; R70-K72 PolarHBondContact O-N 2.91Å; K72-R74 PolarHBondContact O-N 2.88Å; K72-R74 VanDerWaalsContact O-N 3.12Å
73T46.6Very low48.5Very low131 Ų131145.6 Ų145.680%0.80473%0.725SS**  trans-58.4117.1169.4-38.60000106.1R71 S75R71-T73 PolarHBondContact O-N 3.05Å; T73-S75 PolarHBondContact O-N 2.97Å
74R53.1Low50.9Low229 Ų229145.5 Ų145.586%0.86472%0.718SS**  trans-62.1105.8171.6-77.7-178.9178.5166.6-1106.7K72 T76K72-R74 PolarHBondContact O-N 2.88Å; K72-R74 VanDerWaalsContact O-N 3.12Å; R74-T76 PolarHBondContact O-N 2.8Å
75S47.4Very low53.4Low104 Ų104137.2 Ų137.273%0.72770%0.697SS**  trans-63.8101.6168.2-177.80000107.6T73 G77T73-S75 PolarHBondContact O-N 2.97Å; S75-G77 PolarHBondContact O-N 2.68Å
76T58.2Low55.5Low129 Ų129133.4 Ų133.479%0.79168%0.679SS**  trans-90.962.8166.950.60000108.4R74R74-T76 PolarHBondContact O-N 2.8Å
77G57.9Low57.7Low33 Ų33132.7 Ų132.734%0.3467%0.665SS.*SBendtrans-136.4117.9173.800000107.8S75 N79S75-G77 PolarHBondContact O-N 2.68Å; G77-N79 VanDerWaalsContact C-N 3.33Å; G77-N79 PolarHBondContact O-N 2.81Å
78N59Low59.9Low155 Ų155127.1 Ų127.183%0.82965%0.646SS**SBendtrans83.4-21.3165.1-38.4-13.1000116.5M80N78-M80 VanDerWaalsContact C-N 3.35Å; N78-M80 PolarHBondContact O-N 3.37Å
79N61.7Low62Low94 Ų94124.8 Ų124.850%0.50364%0.636SS.*Hα-helixtrans-82.2-4.4179.5-160.46.7000114.7G77 L83G77-N79 VanDerWaalsContact C-N 3.33Å; G77-N79 PolarHBondContact O-N 2.81Å; N79-L83 WeakPolarHBondContact O-CD1 3.48Å; N79-L83 VanDerWaalsContact O-CG 3.24Å; N79-L83 WeakPolarHBondContact O-CG 3.4Å; N79-L83 PolarHBondContact O-N 3.13Å
80M67.4Low63.7Low118 Ų118122 Ų12258%0.58162%0.62SS**Hα-helixtrans-72.9-34.8178.7-64.7-61.5-69.400111.4N78 L84N78-M80 VanDerWaalsContact C-N 3.35Å; N78-M80 PolarHBondContact O-N 3.37Å; M80-L84 WeakPolarHBondContact O-CB 3.29Å; M80-L84 WeakPolarHBondContact O-CG 3.35Å; M80-L84 PolarHBondContact O-N 3.08Å
81N70.3Confident65.5Low125 Ų125114.7 Ų114.767%0.66860%0.598SS**Hα-helixtrans-72.9-38.6-177-61.3-17000111.9L84 S85N81-L84 PolarHBondContact O-N 3.15Å; N81-S85 PolarHBondContact O-N 2.77Å; N81-S85 PolarHBondContact O-OG 3.12Å
82S75.6Confident67.1Low55 Ų55110.3 Ų110.339%0.38559%0.587SS.*Hα-helixtrans-63.2-44.2174.3-167.70000111.8S85 E86S82-S85 WeakPolarHBondContact CA-OG 3.46Å; S82-S85 PolarHBondContact O-N 2.87Å; S82-S85 PolarHBondContact O-OG 2.8Å; S82-E86 WeakPolarHBondContact O-CG 3Å; S82-E86 PolarHBondContact O-N 3.39Å
83L76.2Confident68.8Low63 Ų63105.7 Ų105.733%0.3358%0.58SS.*Hα-helixtrans-65-43.6176.2-67.9174.9000111.2N79 S85 E86 F87N79-L83 WeakPolarHBondContact O-CD1 3.48Å; N79-L83 VanDerWaalsContact O-CG 3.24Å; N79-L83 WeakPolarHBondContact O-CG 3.4Å; N79-L83 PolarHBondContact O-N 3.13Å; L83-S85 VanDerWaalsContact C-N 3.29Å; L83-S85 PolarHBondContact O-N 3.26Å; L83-E86 PolarHBondContact O-N 3.3Å; L83-F87 HydrophobicContact CB-CD2 4.47Å; L83-F87 HydrophobicContact CB-CE2 4.44Å; L83-F87 WeakPolarHBondContact O-CD2 3.39Å; L83-F87 PolarHBondContact O-N 3.16Å
84L77.4Confident70.4Confident107 Ų107103.6 Ų103.656%0.5656%0.56SS**Hα-helixtrans-62.4-35.5177.2-72.5172.9000112.3M80 N81 S88M80-L84 WeakPolarHBondContact O-CB 3.29Å; M80-L84 WeakPolarHBondContact O-CG 3.35Å; M80-L84 PolarHBondContact O-N 3.08Å; N81-L84 PolarHBondContact O-N 3.15Å; L84-S88 WeakPolarHBondContact O-CB 3.38Å; L84-S88 PolarHBondContact O-N 3.23Å
85S76.1Confident72Confident65 Ų6596.9 Ų96.946%0.45554%0.544SS..Hα-helixtrans-67.3-41.5172.849.90000112.7N81 S82 L83 F87 S88 V89N81-S85 PolarHBondContact O-N 2.77Å; N81-S85 PolarHBondContact O-OG 3.12Å; S82-S85 WeakPolarHBondContact CA-OG 3.46Å; S82-S85 PolarHBondContact O-N 2.87Å; S82-S85 PolarHBondContact O-OG 2.8Å; L83-S85 VanDerWaalsContact C-N 3.29Å; L83-S85 PolarHBondContact O-N 3.26Å; S85-F87 PolarHBondContact O-N 3.49Å; S85-S88 WeakPolarHBondContact O-CB 3.4Å; S85-S88 PolarHBondContact O-N 2.83Å; S85-V89 PolarHBondContact O-N 3.04Å
86E76.7Confident73.6Confident113 Ų11399.2 Ų99.253%0.52854%0.543SS..Hα-helixtrans-62-42.1174.8-73.3172.5-166.600111.7S82 L83S82-E86 WeakPolarHBondContact O-CG 3Å; S82-E86 PolarHBondContact O-N 3.39Å; L83-E86 PolarHBondContact O-N 3.3Å
87F78.7Confident74.8Confident116 Ų11695.3 Ų95.351%0.50953%0.528SS..Hα-helixtrans-67.8-33.9174.8-77.2-70.2000112.9L83 S85 V89 M90 L91L83-F87 HydrophobicContact CB-CD2 4.47Å; L83-F87 HydrophobicContact CB-CE2 4.44Å; L83-F87 WeakPolarHBondContact O-CD2 3.39Å; L83-F87 PolarHBondContact O-N 3.16Å; S85-F87 PolarHBondContact O-N 3.49Å; F87-V89 VanDerWaalsContact C-N 3.32Å; F87-V89 PolarHBondContact O-N 3.41Å; F87-M90 HydrophobicContact CB-CE 4.44Å; F87-M90 HydrophobicContact CD1-CE 3.39Å; F87-M90 HydrophobicContact CE1-CE 3.75Å; F87-M90 HydrophobicContact CG-CE 4.06Å; F87-M90 PolarHBondContact O-N 3.46Å; F87-L91 WeakPolarHBondContact O-CG 3.42Å; F87-L91 PolarHBondContact O-N 3.05Å
88S79.2Confident76.1Confident62 Ų6298.4 Ų98.443%0.43453%0.534SS..Hα-helixtrans-63.2-37.7179.2-172.50000112.2L84 S85 M90 L91 Q92L84-S88 WeakPolarHBondContact O-CB 3.38Å; L84-S88 PolarHBondContact O-N 3.23Å; S85-S88 WeakPolarHBondContact O-CB 3.4Å; S85-S88 PolarHBondContact O-N 2.83Å; S88-M90 VanDerWaalsContact C-N 3.34Å; S88-L91 PolarHBondContact O-N 3.45Å; S88-Q92 WeakPolarHBondContact O-CG 3.2Å; S88-Q92 PolarHBondContact O-N 3.26Å
89V79.1Confident77.4Confident95 Ų9594.9 Ų94.958%0.57652%0.515SS*.Hα-helixtrans-67.1-37178.6177.90000111.1S85 F87 L91 Q92S85-V89 PolarHBondContact O-N 3.04Å; F87-V89 VanDerWaalsContact C-N 3.32Å; F87-V89 PolarHBondContact O-N 3.41Å; V89-L91 VanDerWaalsContact C-N 3.27Å; V89-L91 PolarHBondContact O-N 3.35Å; V89-Q92 PolarHBondContact O-N 2.99Å
90M77.7Confident78.5Confident109 Ų10996 Ų9654%0.53752%0.517SS..Hα-helixtrans-69.3-24.6176.2-67.5-174.4-74.100113.2F87 S88 S93 F94F87-M90 HydrophobicContact CB-CE 4.44Å; F87-M90 HydrophobicContact CD1-CE 3.39Å; F87-M90 HydrophobicContact CE1-CE 3.75Å; F87-M90 HydrophobicContact CG-CE 4.06Å; F87-M90 PolarHBondContact O-N 3.46Å; S88-M90 VanDerWaalsContact C-N 3.34Å; M90-S93 PolarHBondContact O-OG 3.45Å; M90-F94 WeakPolarHBondContact O-CD2 3.48Å; M90-F94 VanDerWaalsContact O-CE2 3.31Å; M90-F94 WeakPolarHBondContact O-CE2 3.48Å
91L75.2Confident79.5Confident76 Ų7696.1 Ų96.140%0.39852%0.516SS..Hα-helixtrans-87.2-11.2179.4-67.3172.6000113.4F87 S88 V89 S93 F94 L99F87-L91 WeakPolarHBondContact O-CG 3.42Å; F87-L91 PolarHBondContact O-N 3.05Å; S88-L91 PolarHBondContact O-N 3.45Å; V89-L91 VanDerWaalsContact C-N 3.27Å; V89-L91 PolarHBondContact O-N 3.35Å; L91-S93 PolarHBondContact O-N 2.85Å; L91-F94 HydrophobicContact CD2-CD2 4.18Å; L91-F94 HydrophobicContact CD2-CE2 4.15Å; L91-F94 PolarHBondContact O-N 3.33Å; L91-L99 HydrophobicContact CD2-CD1 4.43Å
92Q75.9Confident80.3Confident143 Ų14392.8 Ų92.867%0.66850%0.5SS*.THydrogen-bonded Turntrans-68.5-21.8178-76.3169.1-3.600113.3S88 V89 F94S88-Q92 WeakPolarHBondContact O-CG 3.2Å; S88-Q92 PolarHBondContact O-N 3.26Å; V89-Q92 PolarHBondContact O-N 2.99Å; Q92-F94 VanDerWaalsContact C-N 3.31Å
93S74.7Confident81Confident98 Ų9895.2 Ų95.269%0.68551%0.508SS*.THydrogen-bonded Turntrans-83-5.5178.562.90000114M90 L91M90-S93 PolarHBondContact O-OG 3.45Å; L91-S93 PolarHBondContact O-N 2.85Å
94F80.6Confident81.7Confident87 Ų8798 Ų9838%0.38252%0.519SS..SBendtrans-84.5138-177.4-75.1-105.7000110.4M90 L91 Q92 E98M90-F94 WeakPolarHBondContact O-CD2 3.48Å; M90-F94 VanDerWaalsContact O-CE2 3.31Å; M90-F94 WeakPolarHBondContact O-CE2 3.48Å; L91-F94 HydrophobicContact CD2-CD2 4.18Å; L91-F94 HydrophobicContact CD2-CE2 4.15Å; L91-F94 PolarHBondContact O-N 3.33Å; Q92-F94 VanDerWaalsContact C-N 3.31Å; F94-E98 HydrophobicContact CB-CB 4.45Å; F94-E98 HydrophobicContact CD1-CB 3.83Å
95T87.6Confident82.4Confident87 Ų8795.1 Ų95.153%0.53451%0.506SS..  trans-70.5155.6169.260.70000110.1G97 E98 L99T95-G97 PolarHBondContact O-N 2.84Å; T95-G97 VanDerWaalsContact O-N 3.12Å; T95-E98 PolarHBondContact N-OE2 2.96Å; T95-E98 PolarHBondContact O-N 2.89Å; T95-E98 WeakPolarHBondContact OG1-CG 3.45Å; T95-E98 PolarHBondContact OG1-OE2 3.34Å; T95-L99 PolarHBondContact O-N 3.3Å; T95-L99 VanDerWaalsContact O-N 3.12Å
96E80.7Confident83.1Confident154 Ų15497.7 Ų97.772%0.7251%0.512SS*.Hα-helixtrans-53.3-37.7-176.6-173.4176.9174.200112.8Q100E96-Q100 VanDerWaalsContact O-CG 3.28Å; E96-Q100 WeakPolarHBondContact O-CG 3.38Å; E96-Q100 PolarHBondContact O-N 2.92Å; E96-Q100 VanDerWaalsContact O-N 3.13Å
97G82.4Confident83.8Confident46 Ų4697 Ų9747%0.47451%0.512SS..Hα-helixtrans-69.1-36.3177.900000114.1T95 H101T95-G97 PolarHBondContact O-N 2.84Å; T95-G97 VanDerWaalsContact O-N 3.12Å; G97-H101 PolarHBondContact O-N 3Å; G97-H101 VanDerWaalsContact O-N 3.17Å
98E85.1Confident84.4Confident98 Ų9895.1 Ų95.146%0.45851%0.507SS..Hα-helixtrans-72-38.2178-66171.7138.400111.4F94 T95 H101 V102F94-E98 HydrophobicContact CB-CB 4.45Å; F94-E98 HydrophobicContact CD1-CB 3.83Å; T95-E98 PolarHBondContact N-OE2 2.96Å; T95-E98 PolarHBondContact O-N 2.89Å; T95-E98 WeakPolarHBondContact OG1-CG 3.45Å; T95-E98 PolarHBondContact OG1-OE2 3.34Å; E98-H101 PolarHBondContact O-N 3.18Å; E98-V102 WeakPolarHBondContact O-CG2 3.45Å; E98-V102 PolarHBondContact O-N 3.34Å
99L86.7Confident84.9Confident81 Ų81100 Ų10042%0.42452%0.516SS..Hα-helixtrans-64.3-42.3176.3-17663.3000111.4L91 T95 H101 V102 L103L91-L99 HydrophobicContact CD2-CD1 4.43Å; T95-L99 PolarHBondContact O-N 3.3Å; T95-L99 VanDerWaalsContact O-N 3.12Å; L99-H101 VanDerWaalsContact C-N 3.33Å; L99-H101 PolarHBondContact O-N 3.32Å; L99-V102 PolarHBondContact O-N 3.19Å; L99-L103 WeakPolarHBondContact O-CB 3Å; L99-L103 PolarHBondContact O-N 3.49Å
100Q85.1Confident85.3Confident117 Ų117101.4 Ų101.455%0.54752%0.515SS..Hα-helixtrans-59.4-43.5175.2-74.4177.410.700111.5E96 V102 L103 E104E96-Q100 VanDerWaalsContact O-CG 3.28Å; E96-Q100 WeakPolarHBondContact O-CG 3.38Å; E96-Q100 PolarHBondContact O-N 2.92Å; E96-Q100 VanDerWaalsContact O-N 3.13Å; Q100-V102 PolarHBondContact O-N 2.84Å; Q100-L103 PolarHBondContact O-N 3.38Å; Q100-E104 WeakPolarHBondContact O-CB 3.01Å; Q100-E104 PolarHBondContact O-N 2.94Å
101H88.6Confident85.7Confident122 Ų122105 Ų10557%0.56552%0.522SS*.Hα-helixtrans-64.4-39.8177.2-177.1-99.1000112.6G97 E98 L99 E104 T105G97-H101 PolarHBondContact O-N 3Å; G97-H101 VanDerWaalsContact O-N 3.17Å; E98-H101 PolarHBondContact O-N 3.18Å; L99-H101 VanDerWaalsContact C-N 3.33Å; L99-H101 PolarHBondContact O-N 3.32Å; H101-E104 PolarHBondContact O-N 2.84Å; H101-T105 WeakPolarHBondContact O-CB 3.18Å; H101-T105 VanDerWaalsContact O-CG2 3.25Å; H101-T105 WeakPolarHBondContact O-CG2 3.09Å; H101-T105 PolarHBondContact O-N 2.74Å; H101-T105 PolarHBondContact O-OG1 2.87Å
102V88.1Confident86.1Confident54 Ų54110.7 Ų110.733%0.32754%0.538SS..Hα-helixtrans-65-43174.8173.40000111.2E98 L99 Q100 T105 M106E98-V102 WeakPolarHBondContact O-CG2 3.45Å; E98-V102 PolarHBondContact O-N 3.34Å; L99-V102 PolarHBondContact O-N 3.19Å; Q100-V102 PolarHBondContact O-N 2.84Å; V102-T105 WeakPolarHBondContact CA-OG1 3.47Å; V102-T105 PolarHBondContact O-N 2.85Å; V102-T105 PolarHBondContact O-OG1 3.33Å; V102-M106 HydrophobicContact CG1-CG 4.35Å; V102-M106 WeakPolarHBondContact O-CB 3.08Å; V102-M106 WeakPolarHBondContact O-CG 3.12Å; V102-M106 PolarHBondContact O-N 2.7Å
103L90.3Very high86.3Confident107 Ų107111.8 Ų111.856%0.5654%0.536SS*.Hα-helixtrans-63.1-44.5177.2-176.661.2000111.1L99 Q100 M106 L107L99-L103 WeakPolarHBondContact O-CB 3Å; L99-L103 PolarHBondContact O-N 3.49Å; Q100-L103 PolarHBondContact O-N 3.38Å; L103-M106 PolarHBondContact O-N 3.48Å; L103-L107 HydrophobicContact CD1-CD1 4.38Å; L103-L107 HydrophobicContact CD1-CG 4.37Å; L103-L107 HydrophobicContact CG-CD1 4.11Å; L103-L107 WeakPolarHBondContact O-CB 3Å; L103-L107 VanDerWaalsContact O-CG 3.27Å; L103-L107 WeakPolarHBondContact O-CG 3.38Å; L103-L107 PolarHBondContact O-N 2.79Å
104E90Very high86.5Confident120 Ų120111.4 Ų111.456%0.56153%0.526SS*.Hα-helixtrans-63.1-44.2178.5-172.1176.1-177.800112Q100 H101 M106 L107 N108Q100-E104 WeakPolarHBondContact O-CB 3.01Å; Q100-E104 PolarHBondContact O-N 2.94Å; H101-E104 PolarHBondContact O-N 2.84Å; E104-M106 PolarHBondContact O-N 3.3Å; E104-L107 PolarHBondContact O-N 3.28Å; E104-N108 WeakPolarHBondContact O-CB 2.98Å; E104-N108 PolarHBondContact O-N 3.21Å; E104-N108 PolarHBondContact O-ND2 3.43Å
105T92.7Very high86.4Confident48 Ų48113.8 Ų113.829%0.29454%0.539SS..Hα-helixtrans-65.2-38.2176.855.20000112.2H101 V102 R109H101-T105 WeakPolarHBondContact O-CB 3.18Å; H101-T105 VanDerWaalsContact O-CG2 3.25Å; H101-T105 WeakPolarHBondContact O-CG2 3.09Å; H101-T105 PolarHBondContact O-N 2.74Å; H101-T105 PolarHBondContact O-OG1 2.87Å; V102-T105 WeakPolarHBondContact CA-OG1 3.47Å; V102-T105 PolarHBondContact O-N 2.85Å; V102-T105 PolarHBondContact O-OG1 3.33Å; T105-R109 WeakPolarHBondContact O-CB 2.85Å; T105-R109 WeakPolarHBondContact O-CG 3.42Å; T105-R109 PolarHBondContact O-N 3.36Å
106M90.4Very high85.4Confident118 Ų118112.9 Ų112.958%0.58154%0.536SS*.Hα-helixtrans-64.9-44.3174.6-74.5-95.6-85.800111.8V102 L103 E104 R109 K110V102-M106 HydrophobicContact CG1-CG 4.35Å; V102-M106 WeakPolarHBondContact O-CB 3.08Å; V102-M106 WeakPolarHBondContact O-CG 3.12Å; V102-M106 PolarHBondContact O-N 2.7Å; L103-M106 PolarHBondContact O-N 3.48Å; E104-M106 PolarHBondContact O-N 3.3Å; M106-R109 PolarHBondContact O-N 3.39Å; M106-K110 WeakPolarHBondContact O-CB 3.35Å; M106-K110 PolarHBondContact O-N 3.35Å
107L91.9Very high84.8Confident100 Ų100109.9 Ų109.952%0.52453%0.525SS..Hα-helixtrans-64.8-41.7176.7-72175000111.7L103 E104 R109 K110 R111L103-L107 HydrophobicContact CD1-CD1 4.38Å; L103-L107 HydrophobicContact CD1-CG 4.37Å; L103-L107 HydrophobicContact CG-CD1 4.11Å; L103-L107 WeakPolarHBondContact O-CB 3Å; L103-L107 VanDerWaalsContact O-CG 3.27Å; L103-L107 WeakPolarHBondContact O-CG 3.38Å; L103-L107 PolarHBondContact O-N 2.79Å; E104-L107 PolarHBondContact O-N 3.28Å; L107-R109 PolarHBondContact O-N 2.95Å; L107-K110 PolarHBondContact O-N 3.05Å; L107-R111 WeakPolarHBondContact O-CB 3.31Å; L107-R111 PolarHBondContact O-N 3.39Å
108N90.6Very high83.8Confident76 Ų76109.5 Ų109.541%0.40652%0.521SS..Hα-helixtrans-63.4-41.1174.9-82.8-34.3000112.2E104 K110 R111 R112E104-N108 WeakPolarHBondContact O-CB 2.98Å; E104-N108 PolarHBondContact O-N 3.21Å; E104-N108 PolarHBondContact O-ND2 3.43Å; N108-K110 VanDerWaalsContact C-N 3.35Å; N108-R111 PolarHBondContact O-N 3Å; N108-R112 WeakPolarHBondContact O-CG 3.47Å; N108-R112 PolarHBondContact O-N 3.05Å
109R89.5Confident82.7Confident163 Ų163111.7 Ų111.762%0.61553%0.532SS*.Hα-helixtrans-64.9-36.9173.7-77.1177.2178.31751.1112.3T105 M106 L107 R113T105-R109 WeakPolarHBondContact O-CB 2.85Å; T105-R109 WeakPolarHBondContact O-CG 3.42Å; T105-R109 PolarHBondContact O-N 3.36Å; M106-R109 PolarHBondContact O-N 3.39Å; L107-R109 PolarHBondContact O-N 2.95Å; R109-R113 PolarHBondContact O-N 3.22Å; R109-R113 VanDerWaalsContact O-N 3.12Å
110K87.8Confident81.4Confident126 Ų126111.3 Ų111.355%0.54853%0.534SS..Hα-helixtrans-65.9-47.6174.6-176.11771781790111.1M106 L107 N108 R112 R113 D114M106-K110 WeakPolarHBondContact O-CB 3.35Å; M106-K110 PolarHBondContact O-N 3.35Å; L107-K110 PolarHBondContact O-N 3.05Å; N108-K110 VanDerWaalsContact C-N 3.35Å; K110-R112 VanDerWaalsContact C-N 3.34Å; K110-R112 PolarHBondContact O-N 3.12Å; K110-R113 CarbonylContact O-C 3.59Å; K110-R113 WeakPolarHBondContact O-CA 3.42Å; K110-R113 WeakPolarHBondContact O-CB 3.46Å; K110-R113 PolarHBondContact O-N 2.91Å; K110-D114 PolarHBondContact O-N 2.96Å
111R85.8Confident80Confident183 Ų183112 Ų11269%0.69154%0.537SS*.Hα-helixtrans-57-44.2177.1-170.6177.5-176172.21.9112.4L107 N108 D114 Q115L107-R111 WeakPolarHBondContact O-CB 3.31Å; L107-R111 PolarHBondContact O-N 3.39Å; N108-R111 PolarHBondContact O-N 3Å; R111-D114 PolarHBondContact O-N 2.83Å; R111-Q115 VanDerWaalsContact O-CB 3.31Å; R111-Q115 WeakPolarHBondContact O-CB 3.28Å; R111-Q115 PolarHBondContact O-N 3.34Å
112R83.4Confident78.5Confident197 Ų197110.5 Ų110.574%0.74354%0.536SS*.Hα-helixtrans-62.8-40.2175-71.6-176.3-170.3-157.83112.3N108 K110 S116N108-R112 WeakPolarHBondContact O-CG 3.47Å; N108-R112 PolarHBondContact O-N 3.05Å; K110-R112 VanDerWaalsContact C-N 3.34Å; K110-R112 PolarHBondContact O-N 3.12Å; R112-S116 WeakPolarHBondContact O-CB 3.49Å; R112-S116 PolarHBondContact O-N 3.42Å
113R80.6Confident76.9Confident166 Ų166116.5 Ų116.563%0.62655%0.553SS**Hα-helixtrans-64.2-48.1174.6-95-173.5-92.2170.2-9.5111.6R109 K110 Q115 S116 L117R109-R113 PolarHBondContact O-N 3.22Å; R109-R113 VanDerWaalsContact O-N 3.12Å; K110-R113 CarbonylContact O-C 3.59Å; K110-R113 WeakPolarHBondContact O-CA 3.42Å; K110-R113 WeakPolarHBondContact O-CB 3.46Å; K110-R113 PolarHBondContact O-N 2.91Å; R113-Q115 VanDerWaalsContact C-N 3.3Å; R113-Q115 PolarHBondContact O-N 3.5Å; R113-S116 PolarHBondContact O-N 3.37Å; R113-L117 WeakPolarHBondContact O-CB 3.41Å; R113-L117 WeakPolarHBondContact O-CG 3.41Å; R113-L117 PolarHBondContact O-N 3.39Å
114D77.8Confident75.2Confident89 Ų89121.8 Ų121.848%0.47657%0.566SS.*Hα-helixtrans-63.4-37.7-179.5-66.2-17.6000111.5K110 R111 L117 G118K110-D114 PolarHBondContact O-N 2.96Å; R111-D114 PolarHBondContact O-N 2.83Å; D114-L117 PolarHBondContact O-N 3.37Å; D114-G118 PolarHBondContact O-N 3.45Å
115Q78.4Confident73.5Confident138 Ų138120.7 Ų120.765%0.64557%0.567SS**Hα-helixtrans-68.3-40175.4-161.8169.922.100112.4R111 R113 M119R111-Q115 VanDerWaalsContact O-CB 3.31Å; R111-Q115 WeakPolarHBondContact O-CB 3.28Å; R111-Q115 PolarHBondContact O-N 3.34Å; R113-Q115 VanDerWaalsContact C-N 3.3Å; R113-Q115 PolarHBondContact O-N 3.5Å; Q115-M119 PolarHBondContact O-N 3.37Å
116S68.4Low71.7Confident68 Ų68127 Ų12748%0.47659%0.591SS.*Hα-helixtrans-68-40.8174.3-176.40000112.1R112 R113 M119 T120R112-S116 WeakPolarHBondContact O-CB 3.49Å; R112-S116 PolarHBondContact O-N 3.42Å; R113-S116 PolarHBondContact O-N 3.37Å; S116-M119 PolarHBondContact O-N 2.94Å; S116-T120 WeakPolarHBondContact O-CB 3.26Å; S116-T120 VanDerWaalsContact O-CG2 3.27Å; S116-T120 WeakPolarHBondContact O-CG2 3.4Å; S116-T120 PolarHBondContact O-N 2.89Å; S116-T120 PolarHBondContact O-OG1 3.18Å
117L67.7Low70Confident91 Ų91131 Ų13148%0.47660%0.599SS.*Hα-helixtrans-66.8-43.7176.8-70.5171.3000111.2R113 D114 M119 T120 Q121R113-L117 WeakPolarHBondContact O-CB 3.41Å; R113-L117 WeakPolarHBondContact O-CG 3.41Å; R113-L117 PolarHBondContact O-N 3.39Å; D114-L117 PolarHBondContact O-N 3.37Å; L117-M119 VanDerWaalsContact C-N 3.29Å; L117-M119 PolarHBondContact O-N 3.39Å; L117-T120 WeakPolarHBondContact CA-OG1 3.47Å; L117-T120 PolarHBondContact O-N 3.48Å; L117-T120 PolarHBondContact O-OG1 3.44Å; L117-Q121 WeakPolarHBondContact O-CB 3.27Å; L117-Q121 PolarHBondContact O-N 3.37Å
118G62Low68.4Low38 Ų38129.7 Ų129.739%0.39260%0.603SS.*Hα-helixtrans-59.4-37.517600000113.5D114 T122D114-G118 PolarHBondContact O-N 3.45Å; G118-T122 WeakPolarHBondContact O-CG2 3.35Å; G118-T122 PolarHBondContact O-N 3.21Å; G118-T122 PolarHBondContact O-OG1 2.7Å
119M60.7Low66.8Low143 Ų143134.7 Ų134.770%0.70462%0.623SS**Hα-helixtrans-83.5-30.9-178.6-154.2158.565.600113.3Q115 S116 L117 T122Q115-M119 PolarHBondContact O-N 3.37Å; S116-M119 PolarHBondContact O-N 2.94Å; L117-M119 VanDerWaalsContact C-N 3.29Å; L117-M119 PolarHBondContact O-N 3.39Å; M119-T122 PolarHBondContact O-OG1 3.03Å
120T59.2Low65.7Low73 Ų73135.8 Ų135.845%0.44863%0.632SS.*Hα-helixtrans-82.2-35.517753.50000112.5S116 L117 R123 R124S116-T120 WeakPolarHBondContact O-CB 3.26Å; S116-T120 VanDerWaalsContact O-CG2 3.27Å; S116-T120 WeakPolarHBondContact O-CG2 3.4Å; S116-T120 PolarHBondContact O-N 2.89Å; S116-T120 PolarHBondContact O-OG1 3.18Å; L117-T120 WeakPolarHBondContact CA-OG1 3.47Å; L117-T120 PolarHBondContact O-N 3.48Å; L117-T120 PolarHBondContact O-OG1 3.44Å; T120-R123 PolarHBondContact O-N 2.87Å; T120-R124 VanDerWaalsContact O-CB 3.31Å; T120-R124 WeakPolarHBondContact O-CB 3.07Å; T120-R124 PolarHBondContact O-N 2.89Å
121Q56.9Low64.9Low132 Ų132132.9 Ų132.962%0.61763%0.628SS**Hα-helixtrans-73-34.4-178.4-157.9168.818.200111.9L117 T125L117-Q121 WeakPolarHBondContact O-CB 3.27Å; L117-Q121 PolarHBondContact O-N 3.37Å; Q121-T125 WeakPolarHBondContact O-CG2 3.35Å; Q121-T125 PolarHBondContact O-N 3.35Å; Q121-T125 PolarHBondContact O-OG1 3.47Å
122T55.9Low64.9Low90 Ų90132.1 Ų132.155%0.55263%0.625SS**Hα-helixtrans-69.1-30.4172.249.70000113.1G118 M119G118-T122 WeakPolarHBondContact O-CG2 3.35Å; G118-T122 PolarHBondContact O-N 3.21Å; G118-T122 PolarHBondContact O-OG1 2.7Å; M119-T122 PolarHBondContact O-OG1 3.03Å
123R54.5Low65.1Low181 Ų181127 Ų12768%0.68362%0.617SS**Hα-helixtrans-85.1-32.8-179.6-145.9173.7-172.7179.61.6112.9T120T120-R123 PolarHBondContact O-N 2.87Å
124R54.3Low65.6Low217 Ų217120.5 Ų120.582%0.81960%0.598SS**Hα-helixtrans-79.7-32.4-178.4-156.4172.4-172.6158.91.4113T120T120-R124 VanDerWaalsContact O-CB 3.31Å; T120-R124 WeakPolarHBondContact O-CB 3.07Å; T120-R124 PolarHBondContact O-N 2.89Å
125T55.6Low66.3Low97 Ų97117.8 Ų117.860%0.59559%0.585SS**Hα-helixtrans-80.7-25.318053.20000114Q121Q121-T125 WeakPolarHBondContact O-CG2 3.35Å; Q121-T125 PolarHBondContact O-N 3.35Å; Q121-T125 PolarHBondContact O-OG1 3.47Å
126K54.3Low67.1Low181 Ų181114.1 Ų114.179%0.78757%0.57SS**Hα-helixtrans-75.8-23.4176.9-92.6-177.3175.5178.30114.8
127R55.3Low68.3Low203 Ų203114.3 Ų114.377%0.76656%0.56SS**SBendtrans-84.1-18.1-179.3-76.7-178-178.2171.9-0.8113.8
128A57Low69.6Low72 Ų72116.1 Ų116.160%0.59556%0.564SS**SBendtrans-83.2-13.1-16900000115.3
129H58.4Low71.1Confident180 Ų180118.5 Ų118.583%0.83357%0.567SS**  trans-151.331.6-171.8-101.9-74.3000115.9S131H129-S131 PolarHBondContact O-N 3.35Å; H129-S131 VanDerWaalsContact O-N 3.15Å
130K65.9Low72.7Confident186 Ų186118.6 Ų118.681%0.80957%0.566SS**  trans-75.4106.8164.7-164.5173.6-175.7-177.40107.9R132K130-R132 PolarHBondContact O-N 3.23Å; K130-R132 VanDerWaalsContact O-N 3.08Å
131S71.4Confident74.3Confident66 Ų66115.9 Ų115.946%0.46255%0.549SS..PPolyproline II helixtrans-53.9116.8173.146.30000109.2H129 Q164H129-S131 PolarHBondContact O-N 3.35Å; H129-S131 VanDerWaalsContact O-N 3.15Å; S131-Q164 VanDerWaalsContact CB-CD 3.5Å
132R84.4Confident76Confident166 Ų166111 Ų11163%0.62653%0.528SS*.PPolyproline II helixtrans-79.5137.2175.7-64.5-95.2-175.2158.62.1107.3K130 G163 Q164K130-R132 PolarHBondContact O-N 3.23Å; K130-R132 VanDerWaalsContact O-N 3.08Å; R132-G163 WeakPolarHBondContact O-CA 3.41Å; R132-Q164 PolarHBondContact O-N 3.43Å
133P88Confident77.7Confident89 Ų89106.8 Ų106.858%0.57850%0.502SS*.BIsolated β-bridgetrans-62.9156.4172.728.7-34.7000110.2S135P133-S135 PolarHBondContact O-N 3.47Å; P133-S135 PolarHBondContact O-OG 3.34Å
134C91.6Very high79.4Confident31 Ų31101 Ų10121%0.20949%0.487CS..SBendtrans-50.1116.7173-179.80000110Q164 C195C134-Q164 PolarHBondContact N-O 3.3Å; C134-C195 WeakPolarHBondContact CA-SG 3.31Å; C134-C195 HydrophobicContact CB-CB 3.79Å; C134-C195 WeakPolarHBondContact CB-SG 3.47Å; C134-C195 VanDerWaalsContact SG-CA 3.6Å; C134-C195 WeakPolarHBondContact SG-CB 3.39Å; C134-C195 CovalentContact SG-SG 2.05Å; C134-C195 PolarHBondContact SG-SG 3.04Å
135S92.5Very high81.2Confident31 Ų3197.1 Ų97.122%0.21748%0.478CS..EExtended strand (participates in β ladder)trans-149.7154.8-172.944.80000111.1P133 R137 S162P133-S135 PolarHBondContact O-N 3.47Å; P133-S135 PolarHBondContact O-OG 3.34Å; S135-R137 PolarHBondContact OG-NH2 2.89Å; S135-S162 PolarHBondContact N-O 3.36Å; S135-S162 PolarHBondContact O-N 3.38Å; S135-S162 VanDerWaalsContact O-N 3.17Å; S135-S162 VanDerWaalsContact O-O 3.1Å
136L95.1Very high82.8Confident61 Ų6194 Ų9432%0.31946%0.458SS..EExtended strand (participates in β ladder)trans-75.2135.8174.5-165.166.3000110Q159 A220 K221 C223L136-Q159 HydrophobicContact CD1-CB 4.1Å; L136-Q159 HydrophobicContact CG-CB 4.35Å; L136-A220 HydrophobicContact CD1-CB 3.97Å; L136-A220 WeakPolarHBondContact CD1-O 3.45Å; L136-K221 WeakPolarHBondContact CD2-O 3.33Å; L136-C223 WeakPolarHBondContact CD1-SG 3.44Å
137R94.5Very high84.4Confident72 Ų7288.7 Ų88.727%0.27245%0.454SS..EExtended strand (participates in β ladder)trans-120.5154.8176.2-61.3-62.2172.7-174.1-17.1109.3S135 Q159 Y160 S162S135-R137 PolarHBondContact OG-NH2 2.89Å; R137-Q159 CarbonylContact O-C 3.44Å; R137-Q159 WeakPolarHBondContact O-CA 3.48Å; R137-Y160 HydrophobicContact CB-CD1 3.77Å; R137-Y160 HydrophobicContact CB-CD2 4.23Å; R137-Y160 HydrophobicContact CB-CE1 3.31Å; R137-Y160 HydrophobicContact CB-CE2 3.86Å; R137-Y160 HydrophobicContact CB-CG 4.19Å; R137-Y160 HydrophobicContact CG-CE1 4.34Å; R137-Y160 HydrophobicContact CG-CE2 4.09Å; R137-Y160 PolarHBondContact N-O 3.29Å; R137-Y160 PolarHBondContact O-N 3.22Å; R137-S162 WeakPolarHBondContact CG-OG 3.42Å
138K94.4Very high85.9Confident130 Ų13083.5 Ų83.557%0.56544%0.441SS*.EExtended strand (participates in β ladder)trans-119.2138.9176.5-56.3-169.5171.4-1640108.5Q157 L158 Q159K138-Q157 HydrophobicContact CB-CG 4.43Å; K138-L158 CarbonylContact C-O 3.54Å; K138-L158 WeakPolarHBondContact CA-O 3.35Å; K138-Q159 HydrophobicContact CG-CG 4.25Å
139L94.2Very high87.3Confident87 Ų8783.6 Ų83.646%0.45545%0.449SS..EExtended strand (participates in β ladder)trans-138.4131.4176.2-177.663.1000107.7L141 Q157 L158 Y160L139-L141 HydrophobicContact CB-CD2 3.98Å; L139-L141 HydrophobicContact CD2-CD2 3.6Å; L139-L141 HydrophobicContact CG-CD2 3.58Å; L139-Q157 CarbonylContact O-C 3.58Å; L139-L158 PolarHBondContact N-O 3.27Å; L139-L158 PolarHBondContact O-N 3.39Å; L139-Y160 HydrophobicContact CB-CD1 4.24Å; L139-Y160 HydrophobicContact CB-CE1 3.89Å
140E94.3Very high88.6Confident146 Ų14678.2 Ų78.268%0.68242%0.423SS*.EExtended strand (participates in β ladder)trans-93.1130170.9-72.1171.3-171.300108I156E140-I156 WeakPolarHBondContact CA-O 3.34Å
141L92.7Very high89.6Confident16 Ų1675.9 Ų75.98%0.08442%0.415CS..EExtended strand (participates in β ladder)trans-153.4163.3-178.251.7122.6000110.2L139 E145 L146 I156 L158L139-L141 HydrophobicContact CB-CD2 3.98Å; L139-L141 HydrophobicContact CD2-CD2 3.6Å; L139-L141 HydrophobicContact CG-CD2 3.58Å; L141-E145 VanDerWaalsContact CA-OE2 3.27Å; L141-E145 WeakPolarHBondContact CA-OE2 3.31Å; L141-E145 HydrophobicContact CB-CB 4.17Å; L141-E145 WeakPolarHBondContact CB-OE2 3.27Å; L141-E145 HydrophobicContact CD1-CB 4.34Å; L141-L146 HydrophobicContact CD1-CD2 3.51Å; L141-L146 HydrophobicContact CD1-CG 3.77Å; L141-I156 HydrophobicContact CD1-CD1 4.28Å; L141-I156 HydrophobicContact CD1-CG1 4.29Å; L141-I156 HydrophobicContact CG-CG1 4.31Å; L141-I156 PolarHBondContact N-O 3.22Å; L141-I156 VanDerWaalsContact N-O 3.07Å; L141-I156 VanDerWaalsContact O-CG1 3.28Å; L141-I156 WeakPolarHBondContact O-CG1 3.22Å; L141-I156 PolarHBondContact O-N 2.9Å; L141-L158 HydrophobicContact CD2-CB 3.46Å; L141-L158 VanDerWaalsContact CD2-CB 3.46Å; L141-L158 HydrophobicContact CD2-CD2 3.76Å; L141-L158 HydrophobicContact CD2-CG 4.24Å; L141-L158 HydrophobicContact CG-CB 4.23Å
142T92.4Very high90.4Very high30 Ų3073.4 Ų73.418%0.18440%0.398CS..EExtended strand (participates in β ladder)trans-82.2161.1174.661.20000111.6T144 E145 E154 T155T142-T144 PolarHBondContact O-N 2.96Å; T142-T144 PolarHBondContact OG1-OG1 3.49Å; T142-E145 PolarHBondContact N-OE2 3.32Å; T142-E145 PolarHBondContact O-N 2.88Å; T142-E145 VanDerWaalsContact O-N 3.13Å; T142-E145 WeakPolarHBondContact OG1-CG 3.22Å; T142-E145 PolarHBondContact OG1-N 3.29Å; T142-E154 WeakPolarHBondContact CA-O 3.47Å; T142-T155 HydrophobicContact CG2-CG2 4.32Å
143V90.8Very high90.5Very high0 Ų072.4 Ų72.40%041%0.405CS..THydrogen-bonded Turntrans-60.1-34.4174.6173.50000112E145 L146 F150 E154 I156 Y206 I215V143-E145 VanDerWaalsContact C-N 3.35Å; V143-E145 PolarHBondContact O-N 3Å; V143-L146 WeakPolarHBondContact O-CB 3.35Å; V143-L146 PolarHBondContact O-N 3.45Å; V143-F150 HydrophobicContact CG1-CB 3.57Å; V143-F150 HydrophobicContact CG1-CD2 4.37Å; V143-F150 HydrophobicContact CG1-CG 4.36Å; V143-E154 HydrophobicContact CG2-CB 4.24Å; V143-E154 PolarHBondContact N-O 2.98Å; V143-I156 HydrophobicContact CG2-CG2 3.78Å; V143-Y206 HydrophobicContact CB-CD2 4.38Å; V143-Y206 HydrophobicContact CG1-CD1 4.26Å; V143-Y206 HydrophobicContact CG1-CD2 3.77Å; V143-Y206 HydrophobicContact CG1-CE1 4.34Å; V143-Y206 HydrophobicContact CG1-CE2 3.84Å; V143-Y206 HydrophobicContact CG1-CG 3.99Å; V143-Y206 HydrophobicContact CG2-CD2 4.14Å; V143-Y206 HydrophobicContact CG2-CG 3.94Å; V143-I215 HydrophobicContact CG1-CD1 4.2Å
144T91.4Very high90.6Very high61 Ų6172 Ų7237%0.37440%0.395SS..G310 helixtrans-62.7-38.1174.343.60000112.9T142 L146 G147 F150 S152T142-T144 PolarHBondContact O-N 2.96Å; T142-T144 PolarHBondContact OG1-OG1 3.49Å; T144-L146 PolarHBondContact O-N 3.3Å; T144-G147 PolarHBondContact O-N 2.94Å; T144-F150 WeakPolarHBondContact CA-O 3.22Å; T144-F150 WeakPolarHBondContact CG2-O 3.29Å; T144-S152 WeakPolarHBondContact CG2-O 3.21Å; T144-S152 PolarHBondContact N-O 2.94Å
145E91.8Very high90.6Very high134 Ų13475.9 Ų75.963%0.62642%0.418SS*.G310 helixtrans-69.4-14-179.8-75.3172.3168.700113.7L141 T142 V143 G147L141-E145 VanDerWaalsContact CA-OE2 3.27Å; L141-E145 WeakPolarHBondContact CA-OE2 3.31Å; L141-E145 HydrophobicContact CB-CB 4.17Å; L141-E145 WeakPolarHBondContact CB-OE2 3.27Å; L141-E145 HydrophobicContact CD1-CB 4.34Å; T142-E145 PolarHBondContact N-OE2 3.32Å; T142-E145 PolarHBondContact O-N 2.88Å; T142-E145 VanDerWaalsContact O-N 3.13Å; T142-E145 WeakPolarHBondContact OG1-CG 3.22Å; T142-E145 PolarHBondContact OG1-N 3.29Å; V143-E145 VanDerWaalsContact C-N 3.35Å; V143-E145 PolarHBondContact O-N 3Å; E145-G147 PolarHBondContact O-N 3.01Å
146L89.4Confident90.5Very high33 Ų3375 Ų7517%0.17341%0.411CS..G310 helixtrans-64.2-20.8171.3-72.1174.3000113L141 V143 T144 L148 I156 L158 I215 V218L141-L146 HydrophobicContact CD1-CD2 3.51Å; L141-L146 HydrophobicContact CD1-CG 3.77Å; V143-L146 WeakPolarHBondContact O-CB 3.35Å; V143-L146 PolarHBondContact O-N 3.45Å; T144-L146 PolarHBondContact O-N 3.3Å; L146-L148 HydrophobicContact CB-CD1 4.34Å; L146-L148 HydrophobicContact CB-CG 4.23Å; L146-L148 HydrophobicContact CD1-CD1 4.47Å; L146-L148 PolarHBondContact O-N 3.45Å; L146-I156 HydrophobicContact CD1-CD1 3.55Å; L146-I156 HydrophobicContact CD2-CD1 4.12Å; L146-I156 HydrophobicContact CG-CD1 3.92Å; L146-L158 HydrophobicContact CD2-CD1 4.32Å; L146-L158 HydrophobicContact CD2-CD2 4.45Å; L146-I215 HydrophobicContact CD1-CD1 3.97Å; L146-V218 HydrophobicContact CD1-CG1 4.26Å; L146-V218 HydrophobicContact CD2-CG1 3.67Å
147G87.6Confident90.4Very high68 Ų6876.1 Ų76.170%0.70141%0.414SS*.  trans68.719.4178.200000114.4T144 E145 G149T144-G147 PolarHBondContact O-N 2.94Å; E145-G147 PolarHBondContact O-N 3.01Å; G147-G149 VanDerWaalsContact C-N 3.33Å
148L86.3Confident90.3Very high95 Ų9574.1 Ų74.150%0.49741%0.409SS..SBendtrans-89.64.9177.9-62.7176.3000113.2L146 F150 I215 V218L146-L148 HydrophobicContact CB-CD1 4.34Å; L146-L148 HydrophobicContact CB-CG 4.23Å; L146-L148 HydrophobicContact CD1-CD1 4.47Å; L146-L148 PolarHBondContact O-N 3.45Å; L148-F150 HydrophobicContact CB-CD2 3.63Å; L148-F150 HydrophobicContact CB-CE2 3.58Å; L148-F150 HydrophobicContact CB-CZ 4.46Å; L148-F150 HydrophobicContact CD1-CD2 4.32Å; L148-F150 HydrophobicContact CD1-CE2 3.84Å; L148-F150 HydrophobicContact CG-CE2 4.37Å; L148-I215 HydrophobicContact CD1-CG2 4.3Å; L148-V218 HydrophobicContact CD1-CG2 3.99Å
149G86.2Confident90.4Very high73 Ų7369 Ų6975%0.75339%0.387SS*.SBendtrans81.616.8-178.300000114.5G147G147-G149 VanDerWaalsContact C-N 3.33Å
150F86.1Confident90.4Very high67 Ų6769.4 Ų69.429%0.29438%0.383SS..  trans-89.7131.8176.1-60.2-50000111.2V143 T144 L148 Y206 I215V143-F150 HydrophobicContact CG1-CB 3.57Å; V143-F150 HydrophobicContact CG1-CD2 4.37Å; V143-F150 HydrophobicContact CG1-CG 4.36Å; T144-F150 WeakPolarHBondContact CA-O 3.22Å; T144-F150 WeakPolarHBondContact CG2-O 3.29Å; L148-F150 HydrophobicContact CB-CD2 3.63Å; L148-F150 HydrophobicContact CB-CE2 3.58Å; L148-F150 HydrophobicContact CB-CZ 4.46Å; L148-F150 HydrophobicContact CD1-CD2 4.32Å; L148-F150 HydrophobicContact CD1-CE2 3.84Å; L148-F150 HydrophobicContact CG-CE2 4.37Å; F150-Y206 HydrophobicContact CB-CE2 4.2Å; F150-Y206 HydrophobicContact CD1-CE1 4.37Å; F150-Y206 AromaticContact CD1-CZ 3.84Å; F150-Y206 WeakPolarHBondContact CD1-OH 3.32Å; F150-Y206 HydrophobicContact CD2-CE1 4.33Å; F150-Y206 WeakPolarHBondContact CE1-OH 3.42Å; F150-Y206 HydrophobicContact CG-CE1 4.19Å; F150-Y206 AromaticContact CG-CZ 3.76Å; F150-Y206 WeakPolarHBondContact CG-OH 3.5Å; F150-I215 HydrophobicContact CD2-CD1 3.56Å; F150-I215 HydrophobicContact CD2-CG1 4.14Å; F150-I215 HydrophobicContact CE2-CD1 3.58Å; F150-I215 HydrophobicContact CE2-CG1 3.67Å; F150-I215 HydrophobicContact CE2-CG2 4.44Å; F150-I215 HydrophobicContact CZ-CG1 4.21Å
151E85.8Confident90.4Very high137 Ų13763.5 Ų63.564%0.6436%0.358SS*.  trans-102.299.6176.2-69.2-179.9175.400109.8
152S88Confident90.3Very high14 Ų1464.6 Ų64.610%0.09837%0.367CS..  trans-160140.6172.7176.30000110.8T144 E154 Y207T144-S152 WeakPolarHBondContact CG2-O 3.21Å; T144-S152 PolarHBondContact N-O 2.94Å; S152-E154 VanDerWaalsContact C-N 3.28Å; S152-E154 WeakPolarHBondContact OG-CB 3Å; S152-E154 PolarHBondContact OG-N 3.27Å; S152-Y207 VanDerWaalsContact CB-O 3.3Å; S152-Y207 WeakPolarHBondContact CB-O 2.93Å; S152-Y207 PolarHBondContact OG-O 3.49Å
153D87.7Confident90.2Very high145 Ų14564.9 Ų64.978%0.77538%0.376SS*.  trans-88.86.6177.6-59.6-33.5000112.6T155D153-T155 PolarHBondContact O-N 3.33Å
154E90.3Very high89.9Confident80 Ų8070.1 Ų70.137%0.37440%0.4SS..  trans-66.3131.8178.5-167.3168.6179.500110.9T142 V143 S152 Y206 Y207T142-E154 WeakPolarHBondContact CA-O 3.47Å; V143-E154 HydrophobicContact CG2-CB 4.24Å; V143-E154 PolarHBondContact N-O 2.98Å; S152-E154 VanDerWaalsContact C-N 3.28Å; S152-E154 WeakPolarHBondContact OG-CB 3Å; S152-E154 PolarHBondContact OG-N 3.27Å; E154-Y206 WeakPolarHBondContact OE2-CA 3.39Å; E154-Y206 WeakPolarHBondContact OE2-CB 3.35Å; E154-Y207 PolarHBondContact OE2-N 2.98Å
155T91.3Very high89.6Confident113 Ų11367.7 Ų67.769%0.69339%0.386SS*.EExtended strand (participates in β ladder)trans-89.4134.1179.652.90000110.9T142 D153T142-T155 HydrophobicContact CG2-CG2 4.32Å; D153-T155 PolarHBondContact O-N 3.33Å
156I91.3Very high88.8Confident12 Ų1264.4 Ų64.46%0.06238%0.375CS..EExtended strand (participates in β ladder)trans-130.7145.6-172.967.2162.9000110.6E140 L141 V143 L146 L204E140-I156 WeakPolarHBondContact CA-O 3.34Å; L141-I156 HydrophobicContact CD1-CD1 4.28Å; L141-I156 HydrophobicContact CD1-CG1 4.29Å; L141-I156 HydrophobicContact CG-CG1 4.31Å; L141-I156 PolarHBondContact N-O 3.22Å; L141-I156 VanDerWaalsContact N-O 3.07Å; L141-I156 VanDerWaalsContact O-CG1 3.28Å; L141-I156 WeakPolarHBondContact O-CG1 3.22Å; L141-I156 PolarHBondContact O-N 2.9Å; V143-I156 HydrophobicContact CG2-CG2 3.78Å; L146-I156 HydrophobicContact CD1-CD1 3.55Å; L146-I156 HydrophobicContact CD2-CD1 4.12Å; L146-I156 HydrophobicContact CG-CD1 3.92Å; I156-L204 HydrophobicContact CB-CD2 3.71Å; I156-L204 HydrophobicContact CD1-CD2 3.57Å; I156-L204 HydrophobicContact CG1-CD2 4.24Å; I156-L204 HydrophobicContact CG2-CD2 3.5Å; I156-L204 HydrophobicContact CG2-CG 4.45Å
157Q92.5Very high88Confident86 Ų8668.9 Ų68.940%0.40240%0.399SS..EExtended strand (participates in β ladder)trans-94.199.5174.4-176167.485.400109.8K138 L139K138-Q157 HydrophobicContact CB-CG 4.43Å; L139-Q157 CarbonylContact O-C 3.58Å
158L92.7Very high87.1Confident30 Ų3071.1 Ų71.116%0.15739%0.387CS..EExtended strand (participates in β ladder)trans-82127.5175.3-174.771.4000110.7K138 L139 L141 L146 V218K138-L158 CarbonylContact C-O 3.54Å; K138-L158 WeakPolarHBondContact CA-O 3.35Å; L139-L158 PolarHBondContact N-O 3.27Å; L139-L158 PolarHBondContact O-N 3.39Å; L141-L158 HydrophobicContact CD2-CB 3.46Å; L141-L158 VanDerWaalsContact CD2-CB 3.46Å; L141-L158 HydrophobicContact CD2-CD2 3.76Å; L141-L158 HydrophobicContact CD2-CG 4.24Å; L141-L158 HydrophobicContact CG-CB 4.23Å; L146-L158 HydrophobicContact CD2-CD1 4.32Å; L146-L158 HydrophobicContact CD2-CD2 4.45Å; L158-V218 HydrophobicContact CD1-CG1 3.73Å; L158-V218 WeakPolarHBondContact CD1-O 3.43Å
159Q95.1Very high86.3Confident23 Ų2369 Ų6911%0.10738%0.376CS..EExtended strand (participates in β ladder)trans-101.1131.7170.4-55.9-171.26300110.2L136 R137 K138 E201 S219 A220L136-Q159 HydrophobicContact CD1-CB 4.1Å; L136-Q159 HydrophobicContact CG-CB 4.35Å; R137-Q159 CarbonylContact O-C 3.44Å; R137-Q159 WeakPolarHBondContact O-CA 3.48Å; K138-Q159 HydrophobicContact CG-CG 4.25Å; Q159-E201 PolarHBondContact NE2-OE1 2.99Å; Q159-E201 PolarHBondContact NE2-OE2 2.86Å; Q159-S219 WeakPolarHBondContact CB-OG 3.31Å; Q159-S219 PolarHBondContact N-OG 2.71Å; Q159-S219 VanDerWaalsContact N-OG 3.16Å; Q159-A220 WeakPolarHBondContact CB-O 3.47Å; Q159-A220 WeakPolarHBondContact O-CB 3.42Å; Q159-A220 PolarHBondContact O-N 3.47Å
160Y94.3Very high85.6Confident94 Ų9471.1 Ų71.137%0.36937%0.37SS..EExtended strand (participates in β ladder)trans-139.7156.2-176.472.6-80.8000112.4R137 L139R137-Y160 HydrophobicContact CB-CD1 3.77Å; R137-Y160 HydrophobicContact CB-CD2 4.23Å; R137-Y160 HydrophobicContact CB-CE1 3.31Å; R137-Y160 HydrophobicContact CB-CE2 3.86Å; R137-Y160 HydrophobicContact CB-CG 4.19Å; R137-Y160 HydrophobicContact CG-CE1 4.34Å; R137-Y160 HydrophobicContact CG-CE2 4.09Å; R137-Y160 PolarHBondContact N-O 3.29Å; R137-Y160 PolarHBondContact O-N 3.22Å; L139-Y160 HydrophobicContact CB-CD1 4.24Å; L139-Y160 HydrophobicContact CB-CE1 3.89Å
161C94.3Very high85.1Confident23 Ų2371.7 Ų71.716%0.15538%0.378CS..EExtended strand (participates in β ladder)trans-97130.4-177.5-63.80000111.5P197 C223C161-P197 HydrophobicContact CB-CG 4.49Å; C161-C223 WeakPolarHBondContact CA-SG 3.29Å; C161-C223 HydrophobicContact CB-CB 3.77Å; C161-C223 WeakPolarHBondContact CB-SG 3.4Å; C161-C223 WeakPolarHBondContact SG-CA 3.49Å; C161-C223 WeakPolarHBondContact SG-CB 3.48Å; C161-C223 CovalentContact SG-SG 2.03Å; C161-C223 PolarHBondContact SG-SG 3.37Å
162S92.1Very high84.5Confident39 Ų3967 Ų6727%0.27336%0.357SS..EExtended strand (participates in β ladder)trans-151.5155.4173.564.20000112S135 R137S135-S162 PolarHBondContact N-O 3.36Å; S135-S162 PolarHBondContact O-N 3.38Å; S135-S162 VanDerWaalsContact O-N 3.17Å; S135-S162 VanDerWaalsContact O-O 3.1Å; R137-S162 WeakPolarHBondContact CG-OG 3.42Å
163G89.7Confident83.8Confident36 Ų3672.4 Ų72.437%0.37138%0.379SS..SBendtrans129.2-178.7179.200000112.3R132R132-G163 WeakPolarHBondContact O-CA 3.41Å
164Q84.8Confident83.4Confident109 Ų10969.9 Ų69.951%0.50936%0.362SS..BIsolated β-bridgetrans-105.5150.8-178.6-69-177.2-4.100111.9S131 R132 C134 V166S131-Q164 VanDerWaalsContact CB-CD 3.5Å; R132-Q164 PolarHBondContact O-N 3.43Å; C134-Q164 PolarHBondContact N-O 3.3Å; Q164-V166 HydrophobicContact CB-CG1 4.42Å
165C84.6Confident82.8Confident10 Ų1068.9 Ų68.97%0.06836%0.358CS..  trans-109.354.3-175.7-74.30000112.5N167 D169 P193 C225C165-N167 PolarHBondContact O-N 3.29Å; C165-D169 VanDerWaalsContact O-CG 3.3Å; C165-D169 VanDerWaalsContact O-OD2 3.12Å; C165-P193 HydrophobicContact CB-CB 4.38Å; C165-P193 HydrophobicContact CB-CG 3.66Å; C165-C225 HydrophobicContact CB-CB 3.73Å; C165-C225 WeakPolarHBondContact CB-SG 3.09Å; C165-C225 VanDerWaalsContact SG-CA 3.6Å; C165-C225 WeakPolarHBondContact SG-CB 3.31Å; C165-C225 CovalentContact SG-SG 2.03Å; C165-C225 PolarHBondContact SG-SG 3.2Å
166V75.9Confident82.2Confident66 Ų6666.9 Ų66.940%0.435%0.345SS..Hα-helixtrans-60.8-33.3-170.4-74.50000116.3Q164 L170Q164-V166 HydrophobicContact CB-CG1 4.42Å; V166-L170 WeakPolarHBondContact O-CD1 3.24Å; V166-L170 PolarHBondContact O-N 3.35Å
167N72.4Confident81.6Confident127 Ų12772.7 Ų72.768%0.67937%0.372SS*.Hα-helixtrans-74.1-39.2-171.9-72.3-6.8000112.8C165 V171C165-N167 PolarHBondContact O-N 3.29Å; N167-V171 WeakPolarHBondContact O-CG2 3.47Å; N167-V171 PolarHBondContact O-N 3.2Å
168Y68.1Low81Confident114 Ų11475.4 Ų75.445%0.44738%0.383SS..Hα-helixtrans-70.1-37.3177179.8-91.8000111L170 V171 M172 P193Y168-L170 VanDerWaalsContact C-N 3.31Å; Y168-L170 PolarHBondContact O-N 3.03Å; Y168-V171 PolarHBondContact O-N 3.48Å; Y168-V171 VanDerWaalsContact O-N 3.13Å; Y168-M172 HydrophobicContact CD1-CB 4.43Å; Y168-M172 HydrophobicContact CD1-CG 3.51Å; Y168-M172 HydrophobicContact CD2-CE 4.39Å; Y168-M172 HydrophobicContact CD2-CG 4.25Å; Y168-M172 HydrophobicContact CE1-CB 4.29Å; Y168-M172 HydrophobicContact CE1-CG 3.12Å; Y168-M172 HydrophobicContact CE1-SD 4.08Å; Y168-M172 HydrophobicContact CE2-CE 3.85Å; Y168-M172 HydrophobicContact CE2-CG 3.85Å; Y168-M172 HydrophobicContact CE2-SD 4.03Å; Y168-M172 HydrophobicContact CG-CG 4.11Å; Y168-M172 WeakPolarHBondContact O-CB 3.32Å; Y168-M172 PolarHBondContact O-N 3.22Å; Y168-M172 PolarHBondContact OH-SD 3.28Å; Y168-P193 HydrophobicContact CD1-CB 3.93Å; Y168-P193 HydrophobicContact CD1-CG 3.41Å; Y168-P193 VanDerWaalsContact CD1-CG 3.41Å; Y168-P193 HydrophobicContact CE1-CB 4.18Å; Y168-P193 HydrophobicContact CE1-CG 4.06Å; Y168-P193 HydrophobicContact CG-CG 4.1Å
169D68.6Low80.1Confident50 Ų5076.3 Ų76.327%0.26740%0.399SS..Hα-helixtrans-58.8-42.5177.9-64.2-21000112.4C165 K173 P193C165-D169 VanDerWaalsContact O-CG 3.3Å; C165-D169 VanDerWaalsContact O-OD2 3.12Å; D169-K173 WeakPolarHBondContact O-CB 3.37Å; D169-K173 PolarHBondContact O-N 3.3Å; D169-P193 WeakPolarHBondContact OD1-CD 3.4Å; D169-P193 WeakPolarHBondContact OD1-CG 3.47Å
170L72.3Confident79.1Confident119 Ų11980.5 Ų80.562%0.62342%0.421SS*.Hα-helixtrans-61.9-45175.4-76.7156.4000111.7V166 Y168 H174V166-L170 WeakPolarHBondContact O-CD1 3.24Å; V166-L170 PolarHBondContact O-N 3.35Å; Y168-L170 VanDerWaalsContact C-N 3.31Å; Y168-L170 PolarHBondContact O-N 3.03Å; L170-H174 WeakPolarHBondContact O-CB 3.44Å; L170-H174 PolarHBondContact O-N 3.42Å
171V76.2Confident77.8Confident78 Ų7880.1 Ų80.147%0.47343%0.425SS..Hα-helixtrans-69.6-45.4-179.3178.60000111.1N167 Y168 H174 M175N167-V171 WeakPolarHBondContact O-CG2 3.47Å; N167-V171 PolarHBondContact O-N 3.2Å; Y168-V171 PolarHBondContact O-N 3.48Å; Y168-V171 VanDerWaalsContact O-N 3.13Å; V171-H174 WeakPolarHBondContact O-CB 3.15Å; V171-H174 PolarHBondContact O-N 3.24Å; V171-M175 HydrophobicContact CG1-CG 4.33Å; V171-M175 HydrophobicContact CG1-SD 3.96Å; V171-M175 VanDerWaalsContact O-CG 3.28Å; V171-M175 WeakPolarHBondContact O-CG 3.49Å; V171-M175 PolarHBondContact O-N 3.31Å
172M73.3Confident76.2Confident38 Ų3881.7 Ų81.719%0.18745%0.445CS..Hα-helixtrans-65.8-41.6178.3-75.3-52.799.800112.2Y168 H174 M175 V176 L181Y168-M172 HydrophobicContact CD1-CB 4.43Å; Y168-M172 HydrophobicContact CD1-CG 3.51Å; Y168-M172 HydrophobicContact CD2-CE 4.39Å; Y168-M172 HydrophobicContact CD2-CG 4.25Å; Y168-M172 HydrophobicContact CE1-CB 4.29Å; Y168-M172 HydrophobicContact CE1-CG 3.12Å; Y168-M172 HydrophobicContact CE1-SD 4.08Å; Y168-M172 HydrophobicContact CE2-CE 3.85Å; Y168-M172 HydrophobicContact CE2-CG 3.85Å; Y168-M172 HydrophobicContact CE2-SD 4.03Å; Y168-M172 HydrophobicContact CG-CG 4.11Å; Y168-M172 WeakPolarHBondContact O-CB 3.32Å; Y168-M172 PolarHBondContact O-N 3.22Å; Y168-M172 PolarHBondContact OH-SD 3.28Å; M172-H174 VanDerWaalsContact C-N 3.31Å; M172-H174 PolarHBondContact O-N 3.46Å; M172-M175 HydrophobicContact CE-CG 4.44Å; M172-M175 HydrophobicContact CE-SD 3.31Å; M172-M175 WeakPolarHBondContact CE-SD 3.49Å; M172-M175 PolarHBondContact O-N 3.17Å; M172-M175 HydrophobicContact SD-SD 4.44Å; M172-V176 WeakPolarHBondContact O-CB 3.36Å; M172-V176 VanDerWaalsContact O-CG2 3.26Å; M172-V176 WeakPolarHBondContact O-CG2 3.44Å; M172-V176 PolarHBondContact O-N 3.02Å; M172-L181 HydrophobicContact SD-CD1 3.91Å
173K73.3Confident74.8Confident129 Ų12992.6 Ų92.656%0.56148%0.48SS*.Hα-helixtrans-57-48172.9-179.1176.4173.9179.40110.5D169 M175 V176 E177D169-K173 WeakPolarHBondContact O-CB 3.37Å; D169-K173 PolarHBondContact O-N 3.3Å; K173-M175 PolarHBondContact O-N 3.13Å; K173-V176 PolarHBondContact O-N 3.12Å; K173-E177 WeakPolarHBondContact CE-OE1 3.25Å; K173-E177 HydrophobicContact CG-CG 4.43Å; K173-E177 WeakPolarHBondContact CG-OE1 3.39Å; K173-E177 WeakPolarHBondContact O-CB 3.04Å; K173-E177 VanDerWaalsContact O-CG 3.27Å; K173-E177 WeakPolarHBondContact O-CG 3.45Å; K173-E177 PolarHBondContact O-N 2.89Å
174H79.1Confident73.5Confident92 Ų9293.7 Ų93.743%0.42649%0.492SS..Hα-helixtrans-61.1-43.7175.7177.2-95.9000112.5L170 V171 M172 V176 E177 K178L170-H174 WeakPolarHBondContact O-CB 3.44Å; L170-H174 PolarHBondContact O-N 3.42Å; V171-H174 WeakPolarHBondContact O-CB 3.15Å; V171-H174 PolarHBondContact O-N 3.24Å; M172-H174 VanDerWaalsContact C-N 3.31Å; M172-H174 PolarHBondContact O-N 3.46Å; H174-V176 VanDerWaalsContact C-N 3.34Å; H174-V176 PolarHBondContact O-N 3.02Å; H174-E177 PolarHBondContact O-N 3.34Å; H174-K178 WeakPolarHBondContact NE2-CE 3.27Å; H174-K178 VanDerWaalsContact O-CB 3.29Å; H174-K178 WeakPolarHBondContact O-CB 3.15Å; H174-K178 VanDerWaalsContact O-CG 3.22Å; H174-K178 WeakPolarHBondContact O-CG 3.33Å; H174-K178 PolarHBondContact O-N 3.37Å
175M78.2Confident71.9Confident58 Ų5899.7 Ų99.729%0.28651%0.51SS..Hα-helixtrans-67.1-33.5179.4-69.8179.893.500112.9V171 M172 K173 G179 I180 L181V171-M175 HydrophobicContact CG1-CG 4.33Å; V171-M175 HydrophobicContact CG1-SD 3.96Å; V171-M175 VanDerWaalsContact O-CG 3.28Å; V171-M175 WeakPolarHBondContact O-CG 3.49Å; V171-M175 PolarHBondContact O-N 3.31Å; M172-M175 HydrophobicContact CE-CG 4.44Å; M172-M175 HydrophobicContact CE-SD 3.31Å; M172-M175 WeakPolarHBondContact CE-SD 3.49Å; M172-M175 PolarHBondContact O-N 3.17Å; M172-M175 HydrophobicContact SD-SD 4.44Å; K173-M175 PolarHBondContact O-N 3.13Å; M175-G179 PolarHBondContact O-N 3.12Å; M175-I180 HydrophobicContact CE-CG2 4.18Å; M175-I180 HydrophobicContact CG-CD1 4.43Å; M175-I180 PolarHBondContact O-N 3.02Å; M175-L181 HydrophobicContact CB-CD1 3.48Å; M175-L181 VanDerWaalsContact CB-CD1 3.48Å; M175-L181 HydrophobicContact CB-CG 4.31Å; M175-L181 PolarHBondContact O-N 2.92Å
176V78.4Confident70.5Confident71 Ų71109.1 Ų109.143%0.4355%0.55SS..Hα-helixtrans-71.7-44.8172.7171.60000110.8M172 K173 H174 K178 G179 L181M172-V176 WeakPolarHBondContact O-CB 3.36Å; M172-V176 VanDerWaalsContact O-CG2 3.26Å; M172-V176 WeakPolarHBondContact O-CG2 3.44Å; M172-V176 PolarHBondContact O-N 3.02Å; K173-V176 PolarHBondContact O-N 3.12Å; H174-V176 VanDerWaalsContact C-N 3.34Å; H174-V176 PolarHBondContact O-N 3.02Å; V176-K178 VanDerWaalsContact C-N 3.32Å; V176-K178 PolarHBondContact O-N 3.05Å; V176-G179 PolarHBondContact O-N 3.37Å; V176-L181 HydrophobicContact CG2-CB 4.32Å; V176-L181 HydrophobicContact CG2-CD1 3.94Å
177E77.7Confident69.3Low135 Ų135112.2 Ų112.263%0.63156%0.564SS**Hα-helixtrans-61.3-39.7176.1-77.4174.4-179.400111.9K173 H174 G179K173-E177 WeakPolarHBondContact CE-OE1 3.25Å; K173-E177 HydrophobicContact CG-CG 4.43Å; K173-E177 WeakPolarHBondContact CG-OE1 3.39Å; K173-E177 WeakPolarHBondContact O-CB 3.04Å; K173-E177 VanDerWaalsContact O-CG 3.27Å; K173-E177 WeakPolarHBondContact O-CG 3.45Å; K173-E177 PolarHBondContact O-N 2.89Å; H174-E177 PolarHBondContact O-N 3.34Å; E177-G179 PolarHBondContact O-N 3.43Å
178K81.2Confident68.7Low142 Ų142118.1 Ų118.162%0.61758%0.577SS**THydrogen-bonded Turntrans-75.8-2.3175.3-68.6-68.4-176.1178.40113.6H174 V176 I180H174-K178 WeakPolarHBondContact NE2-CE 3.27Å; H174-K178 VanDerWaalsContact O-CB 3.29Å; H174-K178 WeakPolarHBondContact O-CB 3.15Å; H174-K178 VanDerWaalsContact O-CG 3.22Å; H174-K178 WeakPolarHBondContact O-CG 3.33Å; H174-K178 PolarHBondContact O-N 3.37Å; V176-K178 VanDerWaalsContact C-N 3.32Å; V176-K178 PolarHBondContact O-N 3.05Å; K178-I180 HydrophobicContact CB-CD1 3.84Å; K178-I180 HydrophobicContact CB-CG1 3.81Å; K178-I180 PolarHBondContact O-N 2.96Å
179G71.9Confident68Low49 Ų49117.9 Ų117.951%0.50559%0.587SS.*THydrogen-bonded Turntrans66.115.1178.900000114.4M175 V176 E177M175-G179 PolarHBondContact O-N 3.12Å; V176-G179 PolarHBondContact O-N 3.37Å; E177-G179 PolarHBondContact O-N 3.43Å
180I74.7Confident67.4Low111 Ų111120 Ų12057%0.56961%0.605SS**  trans-68-42.4179-58.3171000109.3M175 K178 G182M175-I180 HydrophobicContact CE-CG2 4.18Å; M175-I180 HydrophobicContact CG-CD1 4.43Å; M175-I180 PolarHBondContact O-N 3.02Å; K178-I180 HydrophobicContact CB-CD1 3.84Å; K178-I180 HydrophobicContact CB-CG1 3.81Å; K178-I180 PolarHBondContact O-N 2.96Å; I180-G182 PolarHBondContact O-N 3.32Å; I180-G182 VanDerWaalsContact O-N 3.16Å
181L67.9Low66.8Low86 Ų86121.8 Ų121.845%0.4561%0.608SS.*SBendtrans-8287.4168.4-73147.9000107.3M172 M175 V176M172-L181 HydrophobicContact SD-CD1 3.91Å; M175-L181 HydrophobicContact CB-CD1 3.48Å; M175-L181 VanDerWaalsContact CB-CD1 3.48Å; M175-L181 HydrophobicContact CB-CG 4.31Å; M175-L181 PolarHBondContact O-N 2.92Å; V176-L181 HydrophobicContact CG2-CB 4.32Å; V176-L181 HydrophobicContact CG2-CD1 3.94Å
182G60.7Low66.4Low56 Ų56124.6 Ų124.658%0.57762%0.616SS**  trans-44.3149.4-172.200000114.8I180 G184I180-G182 PolarHBondContact O-N 3.32Å; I180-G182 VanDerWaalsContact O-N 3.16Å; G182-G184 PolarHBondContact O-N 2.74Å
183R61.4Low66.7Low268 Ų268123.5 Ų123.5100%1.01161%0.612SS**SBendtrans-64.414.3-172.9-147.9-179.9-154.5-152.75.1115.5
184G63.2Low67.3Low59 Ų59120.7 Ų120.761%0.60861%0.608SS**  trans-119.299-169.300000112.5G182G182-G184 PolarHBondContact O-N 2.74Å
185R52.1Low67.9Low235 Ų235117.4 Ų117.489%0.88760%0.595SS**  170.2127.7125-91.3168.2-176.9-173.41.4109.6N187R185-N187 PolarHBondContact O-N 3.42Å
186K53.9Low68.6Low208 Ų208122 Ų12290%0.90461%0.609SS**  trans-72.543.6-175.7-69.1176.9173.8175.30113.4
187N51.5Low69.4Low131 Ų131120.8 Ų120.870%0.70160%0.602SS**  trans-109.695.4166.2-72.1-9.1000106.9R185 V189R185-N187 PolarHBondContact O-N 3.42Å; N187-V189 HydrophobicContact CB-CG2 4.27Å; N187-V189 PolarHBondContact O-N 2.99Å
188R58.3Low70.1Confident252 Ų252117.9 Ų117.995%0.95159%0.594SS**  trans-72.360.6174.8-65.6-175.5-179.2-1791.4109.9
189V53.7Low70.7Confident108 Ų108117.6 Ų117.666%0.65559%0.593SS**  trans-71133.3164.8-177.50000106.2N187 K191N187-V189 HydrophobicContact CB-CG2 4.27Å; N187-V189 PolarHBondContact O-N 2.99Å; V189-K191 WeakPolarHBondContact O-CG 3.42Å; V189-K191 PolarHBondContact O-N 3.3Å
190S55.8Low71.8Confident94 Ų94119.7 Ų119.766%0.65759%0.588SS**  trans-50.9117.7176.2-170.40000108.9E192S190-E192 PolarHBondContact O-N 2.93Å
191K60Low72.5Confident158 Ų158118.3 Ų118.369%0.68758%0.579SS**  trans-85.19.7-173.1-65.6-173.9178-174.70113.1V189V189-K191 WeakPolarHBondContact O-CG 3.42Å; V189-K191 PolarHBondContact O-N 3.3Å
192E69.1Low73.5Confident136 Ų136123.4 Ų123.464%0.63660%0.598SS**SBendtrans-99.1123.7178.4-68.4179.6-179.400109S190 C194S190-E192 PolarHBondContact O-N 2.93Å; E192-C194 PolarHBondContact O-N 3.46Å
193P78Confident74.7Confident15 Ų15124 Ų12410%0.09759%0.593CS.*PPolyproline II helixtrans-65131.7177.534.8-37000109.5C165 Y168 D169 C225 V226C165-P193 HydrophobicContact CB-CB 4.38Å; C165-P193 HydrophobicContact CB-CG 3.66Å; Y168-P193 HydrophobicContact CD1-CB 3.93Å; Y168-P193 HydrophobicContact CD1-CG 3.41Å; Y168-P193 VanDerWaalsContact CD1-CG 3.41Å; Y168-P193 HydrophobicContact CE1-CB 4.18Å; Y168-P193 HydrophobicContact CE1-CG 4.06Å; Y168-P193 HydrophobicContact CG-CG 4.1Å; D169-P193 WeakPolarHBondContact OD1-CD 3.4Å; D169-P193 WeakPolarHBondContact OD1-CG 3.47Å; P193-C225 HydrophobicContact CB-CB 4.02Å; P193-C225 HydrophobicContact CG-CB 4.39Å; P193-V226 CarbonylContact C-O 3.57Å; P193-V226 WeakPolarHBondContact CA-O 3.09Å
194C86.4Confident75.8Confident70 Ų70114.5 Ų114.547%0.47356%0.562SS.*PPolyproline II helixtrans-88.9144.6175.3-64.90000109.7E192 R196 V226E192-C194 PolarHBondContact O-N 3.46Å; C194-R196 HydrophobicContact CB-CG 4.07Å; C194-R196 PolarHBondContact O-N 3.36Å; C194-R196 VanDerWaalsContact O-N 3.08Å; C194-V226 PolarHBondContact N-O 3.48Å; C194-V226 PolarHBondContact O-N 3.35Å; C194-V226 VanDerWaalsContact O-N 3.11Å
195C91.3Very high76.9Confident23 Ų23113.9 Ų113.916%0.15556%0.556CS.*EExtended strand (participates in β ladder)trans-72102.6168-173.30000108.8C134C134-C195 WeakPolarHBondContact CA-SG 3.31Å; C134-C195 HydrophobicContact CB-CB 3.79Å; C134-C195 WeakPolarHBondContact CB-SG 3.47Å; C134-C195 VanDerWaalsContact SG-CA 3.6Å; C134-C195 WeakPolarHBondContact SG-CB 3.39Å; C134-C195 CovalentContact SG-SG 2.05Å; C134-C195 PolarHBondContact SG-SG 3.04Å
196R93.1Very high78.6Confident155 Ų155103.2 Ų103.259%0.58552%0.516SS*.EExtended strand (participates in β ladder)trans-121.7156.9-178.3-71.8-72.8-171.8154.6-1.4111.5C194 T198 C223 G224 V226C194-R196 HydrophobicContact CB-CG 4.07Å; C194-R196 PolarHBondContact O-N 3.36Å; C194-R196 VanDerWaalsContact O-N 3.08Å; R196-T198 PolarHBondContact O-N 2.92Å; R196-C223 WeakPolarHBondContact O-CA 3.34Å; R196-G224 PolarHBondContact N-O 3.44Å; R196-G224 PolarHBondContact O-N 3.3Å; R196-G224 VanDerWaalsContact O-O 3.12Å; R196-V226 HydrophobicContact CB-CG2 3.6Å; R196-V226 HydrophobicContact CG-CG2 3.72Å
197P95.1Very high80.1Confident45 Ų4598.8 Ų98.829%0.29249%0.494SS..EExtended strand (participates in β ladder)trans-62.1132.4169.5-20.733.2000111.4C161 F200 A220 S222C161-P197 HydrophobicContact CB-CG 4.49Å; P197-F200 HydrophobicContact CB-CE1 3.97Å; P197-F200 HydrophobicContact CB-CE2 4.49Å; P197-F200 HydrophobicContact CB-CZ 3.91Å; P197-F200 HydrophobicContact CG-CE1 4.19Å; P197-F200 HydrophobicContact CG-CZ 4.3Å; P197-A220 HydrophobicContact CB-CB 3.84Å; P197-A220 HydrophobicContact CG-CB 3.93Å; P197-S222 CarbonylContact C-O 3.51Å; P197-S222 WeakPolarHBondContact CA-O 3.33Å
198T93Very high81.8Confident74 Ų7492.8 Ų92.845%0.45446%0.463SS..EExtended strand (participates in β ladder)trans-100.4-24173.150.50000112.1R196 S222R196-T198 PolarHBondContact O-N 2.92Å; T198-S222 PolarHBondContact N-O 3.31Å; T198-S222 PolarHBondContact OG1-O 3.23Å; T198-S222 PolarHBondContact OG1-OG 3.43Å
199K94.1Very high82.9Confident136 Ų13686.5 Ų86.559%0.59145%0.448SS*.EExtended strand (participates in β ladder)trans-142.5146.3173.1-60.7-179.2179.51790109.1K221 S222K199-K221 HydrophobicContact CB-CB 4.28Å; K199-K221 PolarHBondContact O-N 2.95Å; K199-S222 VanDerWaalsContact CB-OG 3.29Å; K199-S222 WeakPolarHBondContact CB-OG 3.36Å; K199-S222 WeakPolarHBondContact CG-OG 3.47Å; K199-S222 PolarHBondContact N-OG 3.12Å; K199-S222 PolarHBondContact O-N 3.38Å
200F94Very high84.2Confident94 Ų9490.2 Ų90.241%0.41246%0.456SS..EExtended strand (participates in β ladder)trans-100.4157.2172.6-65.3-84.6000110.9P197 N217 S219P197-F200 HydrophobicContact CB-CE1 3.97Å; P197-F200 HydrophobicContact CB-CE2 4.49Å; P197-F200 HydrophobicContact CB-CZ 3.91Å; P197-F200 HydrophobicContact CG-CE1 4.19Å; P197-F200 HydrophobicContact CG-CZ 4.3Å; F200-N217 HydrophobicContact CD1-CB 4.41Å; F200-N217 WeakPolarHBondContact CE1-O 3.4Å; F200-N217 HydrophobicContact CG-CB 4.3Å; F200-S219 CarbonylContact C-O 3.56Å; F200-S219 WeakPolarHBondContact CA-O 3.44Å; F200-S219 WeakPolarHBondContact CD1-O 3.25Å
201E90.3Very high85.6Confident81 Ų8189.1 Ų89.138%0.37945%0.445SS..PPolyproline II helixtrans-74.7170.9172.1-165.6155-145.600110.8Q159 S219Q159-E201 PolarHBondContact NE2-OE1 2.99Å; Q159-E201 PolarHBondContact NE2-OE2 2.86Å; E201-S219 PolarHBondContact N-O 3.5Å; E201-S219 PolarHBondContact OE2-OG 3.35Å
202K87.7Confident86.8Confident194 Ų19489.1 Ų89.184%0.84345%0.448SS*.PPolyproline II helixtrans-61.5156.3174.9-67.5-178.2-179.6179.40110.1L204K202-L204 PolarHBondContact O-N 3.35Å
203S86.9Confident87.7Confident68 Ų6885.2 Ų85.248%0.47643%0.431SS..PPolyproline II helixtrans-57.5131.8176.556.50000110.9I214 I215S203-I214 VanDerWaalsContact CB-CG2 3.41Å; S203-I215 CarbonylContact C-O 3.5Å; S203-I215 VanDerWaalsContact CA-O 3.28Å; S203-I215 WeakPolarHBondContact CA-O 3.46Å
204L85.1Confident88.2Confident68 Ų6890.5 Ų90.536%0.35646%0.457SS..EExtended strand (participates in β ladder)trans-87.4120.8-179.5-168.278.9000108.8I156 K202 I214 I215I156-L204 HydrophobicContact CB-CD2 3.71Å; I156-L204 HydrophobicContact CD1-CD2 3.57Å; I156-L204 HydrophobicContact CG1-CD2 4.24Å; I156-L204 HydrophobicContact CG2-CD2 3.5Å; I156-L204 HydrophobicContact CG2-CG 4.45Å; K202-L204 PolarHBondContact O-N 3.35Å; L204-I214 CarbonylContact O-C 3.6Å; L204-I214 WeakPolarHBondContact O-CA 3.28Å; L204-I215 PolarHBondContact N-O 2.96Å; L204-I215 PolarHBondContact O-N 3.04Å
205G85.4Confident88.2Confident47 Ų4787.6 Ų87.649%0.48544%0.437SS..EExtended strand (participates in β ladder)trans-82.9137.2169.300000109.5N213G205-N213 CarbonylContact C-O 3.58Å; G205-N213 VanDerWaalsContact CA-O 3.31Å; G205-N213 WeakPolarHBondContact CA-O 3.45Å
206Y87.8Confident88.1Confident10 Ų1090 Ų904%0.03945%0.454CS..EExtended strand (participates in β ladder)trans-137.8154.5169.477.9-82.6000110.7V143 F150 E154 N213 I215V143-Y206 HydrophobicContact CB-CD2 4.38Å; V143-Y206 HydrophobicContact CG1-CD1 4.26Å; V143-Y206 HydrophobicContact CG1-CD2 3.77Å; V143-Y206 HydrophobicContact CG1-CE1 4.34Å; V143-Y206 HydrophobicContact CG1-CE2 3.84Å; V143-Y206 HydrophobicContact CG1-CG 3.99Å; V143-Y206 HydrophobicContact CG2-CD2 4.14Å; V143-Y206 HydrophobicContact CG2-CG 3.94Å; F150-Y206 HydrophobicContact CB-CE2 4.2Å; F150-Y206 HydrophobicContact CD1-CE1 4.37Å; F150-Y206 AromaticContact CD1-CZ 3.84Å; F150-Y206 WeakPolarHBondContact CD1-OH 3.32Å; F150-Y206 HydrophobicContact CD2-CE1 4.33Å; F150-Y206 WeakPolarHBondContact CE1-OH 3.42Å; F150-Y206 HydrophobicContact CG-CE1 4.19Å; F150-Y206 AromaticContact CG-CZ 3.76Å; F150-Y206 WeakPolarHBondContact CG-OH 3.5Å; E154-Y206 WeakPolarHBondContact OE2-CA 3.39Å; E154-Y206 WeakPolarHBondContact OE2-CB 3.35Å; Y206-N213 HydrophobicContact CD1-CB 4.02Å; Y206-N213 HydrophobicContact CE1-CB 3.4Å; Y206-N213 HydrophobicContact CE2-CB 4.15Å; Y206-N213 VanDerWaalsContact CZ-CB 3.46Å; Y206-N213 PolarHBondContact N-O 3.42Å; Y206-N213 PolarHBondContact O-N 3.43Å; Y206-I215 HydrophobicContact CD1-CD1 3.46Å; Y206-I215 VanDerWaalsContact CD1-CD1 3.46Å; Y206-I215 HydrophobicContact CD1-CG1 3.61Å; Y206-I215 HydrophobicContact CE1-CD1 3.45Å; Y206-I215 VanDerWaalsContact CE1-CD1 3.45Å; Y206-I215 HydrophobicContact CE1-CG1 3.45Å; Y206-I215 VanDerWaalsContact CE1-CG1 3.45Å; Y206-I215 HydrophobicContact CG-CD1 4.47Å
207Y86.5Confident87.8Confident115 Ų11587.9 Ų87.945%0.45145%0.454SS..EExtended strand (participates in β ladder)trans-97.1118.1175.9-167-107000110.2S152 E154 K210 T211 H212S152-Y207 VanDerWaalsContact CB-O 3.3Å; S152-Y207 WeakPolarHBondContact CB-O 2.93Å; S152-Y207 PolarHBondContact OG-O 3.49Å; E154-Y207 PolarHBondContact OE2-N 2.98Å; Y207-K210 WeakPolarHBondContact OH-CA 3.22Å; Y207-K210 PolarHBondContact OH-O 2.99Å; Y207-T211 WeakPolarHBondContact CD2-O 3.21Å; Y207-H212 AromaticContact CD2-CD2 3.96Å; Y207-H212 AromaticContact CD2-CE1 3.56Å; Y207-H212 AromaticContact CD2-CG 3.91Å; Y207-H212 AromaticContact CD2-ND1 3.66Å; Y207-H212 AromaticContact CD2-NE2 3.75Å; Y207-H212 AromaticContact CE2-CE1 3.68Å; Y207-H212 AromaticContact CE2-ND1 3.75Å
208G85.6Confident87.4Confident5 Ų588.1 Ų88.15%0.05246%0.455CS..EExtended strand (participates in β ladder)trans-147.5145.3179.600000110.6K210 T211 N213G208-K210 PolarHBondContact O-N 3.4Å; G208-K210 VanDerWaalsContact O-N 3.16Å; G208-T211 PolarHBondContact N-O 2.94Å; G208-T211 PolarHBondContact O-N 3.48Å; G208-T211 PolarHBondContact O-OG1 3.08Å; G208-N213 PolarHBondContact O-ND2 2.91Å
209N82.3Confident87.4Confident120 Ų12085.5 Ų85.564%0.64244%0.439SS*.THydrogen-bonded Turntrans50.441.9179.8-65.6-22.7000113.8T211N209-T211 PolarHBondContact O-N 3.46Å; N209-T211 VanDerWaalsContact O-N 3.13Å
210K80.8Confident87.5Confident186 Ų18679.1 Ų79.181%0.80941%0.412SS*.THydrogen-bonded Turntrans59.318.6-178.4-54.1175.8-177.2174.30114.8Y207 G208Y207-K210 WeakPolarHBondContact OH-CA 3.22Å; Y207-K210 PolarHBondContact OH-O 2.99Å; G208-K210 PolarHBondContact O-N 3.4Å; G208-K210 VanDerWaalsContact O-N 3.16Å
211T85.2Confident87.5Confident71 Ų7181.1 Ų81.144%0.43642%0.42SS..EExtended strand (participates in β ladder)trans-130.8151.3179.355.10000110.5Y207 G208 N209 N213Y207-T211 WeakPolarHBondContact CD2-O 3.21Å; G208-T211 PolarHBondContact N-O 2.94Å; G208-T211 PolarHBondContact O-N 3.48Å; G208-T211 PolarHBondContact O-OG1 3.08Å; N209-T211 PolarHBondContact O-N 3.46Å; N209-T211 VanDerWaalsContact O-N 3.13Å; T211-N213 PolarHBondContact O-ND2 3.41Å; T211-N213 PolarHBondContact OG1-ND2 2.99Å; T211-N213 VanDerWaalsContact OG1-ND2 3.13Å
212H85.3Confident87.7Confident159 Ų15978.9 Ų78.974%0.73641%0.414SS*.EExtended strand (participates in β ladder)trans-85.3117.2171.8-72.783.1000108.7Y207Y207-H212 AromaticContact CD2-CD2 3.96Å; Y207-H212 AromaticContact CD2-CE1 3.56Å; Y207-H212 AromaticContact CD2-CG 3.91Å; Y207-H212 AromaticContact CD2-ND1 3.66Å; Y207-H212 AromaticContact CD2-NE2 3.75Å; Y207-H212 AromaticContact CE2-CE1 3.68Å; Y207-H212 AromaticContact CE2-ND1 3.75Å
213N87.1Confident88Confident53 Ų5371.2 Ų71.228%0.28338%0.384SS..EExtended strand (participates in β ladder)trans-112.8156-179-67.7-60.9000110.2G205 Y206 G208 T211G205-N213 CarbonylContact C-O 3.58Å; G205-N213 VanDerWaalsContact CA-O 3.31Å; G205-N213 WeakPolarHBondContact CA-O 3.45Å; Y206-N213 HydrophobicContact CD1-CB 4.02Å; Y206-N213 HydrophobicContact CE1-CB 3.4Å; Y206-N213 HydrophobicContact CE2-CB 4.15Å; Y206-N213 VanDerWaalsContact CZ-CB 3.46Å; Y206-N213 PolarHBondContact N-O 3.42Å; Y206-N213 PolarHBondContact O-N 3.43Å; G208-N213 PolarHBondContact O-ND2 2.91Å; T211-N213 PolarHBondContact O-ND2 3.41Å; T211-N213 PolarHBondContact OG1-ND2 2.99Å; T211-N213 VanDerWaalsContact OG1-ND2 3.13Å
214I88.5Confident88.1Confident126 Ų12668.8 Ų68.865%0.64637%0.37SS*.EExtended strand (participates in β ladder)trans-128.5128.4-174.7-58.8174.9000109.5S203 L204S203-I214 VanDerWaalsContact CB-CG2 3.41Å; L204-I214 CarbonylContact O-C 3.6Å; L204-I214 WeakPolarHBondContact O-CA 3.28Å
215I87.1Confident88.3Confident9 Ų968.4 Ų68.45%0.04637%0.372CS..EExtended strand (participates in β ladder)trans-111.5118.2178.9-54.5175.6000109.1V143 L146 L148 F150 S203 L204 Y206 V218V143-I215 HydrophobicContact CG1-CD1 4.2Å; L146-I215 HydrophobicContact CD1-CD1 3.97Å; L148-I215 HydrophobicContact CD1-CG2 4.3Å; F150-I215 HydrophobicContact CD2-CD1 3.56Å; F150-I215 HydrophobicContact CD2-CG1 4.14Å; F150-I215 HydrophobicContact CE2-CD1 3.58Å; F150-I215 HydrophobicContact CE2-CG1 3.67Å; F150-I215 HydrophobicContact CE2-CG2 4.44Å; F150-I215 HydrophobicContact CZ-CG1 4.21Å; S203-I215 CarbonylContact C-O 3.5Å; S203-I215 VanDerWaalsContact CA-O 3.28Å; S203-I215 WeakPolarHBondContact CA-O 3.46Å; L204-I215 PolarHBondContact N-O 2.96Å; L204-I215 PolarHBondContact O-N 3.04Å; Y206-I215 HydrophobicContact CD1-CD1 3.46Å; Y206-I215 VanDerWaalsContact CD1-CD1 3.46Å; Y206-I215 HydrophobicContact CD1-CG1 3.61Å; Y206-I215 HydrophobicContact CE1-CD1 3.45Å; Y206-I215 VanDerWaalsContact CE1-CD1 3.45Å; Y206-I215 HydrophobicContact CE1-CG1 3.45Å; Y206-I215 VanDerWaalsContact CE1-CG1 3.45Å; Y206-I215 HydrophobicContact CG-CD1 4.47Å; I215-V218 HydrophobicContact CG2-CB 3.98Å; I215-V218 HydrophobicContact CG2-CG2 3.27Å
216S88.3Confident88.3Confident75 Ų7572 Ų7252%0.52439%0.385SS..  trans-102149.7177.761.30000112.8V218S216-V218 PolarHBondContact O-N 3.44Å
217N87.3Confident88.3Confident109 Ų10975.2 Ų75.258%0.58340%0.402SS*.SBendtrans62.830.2171.5-57.2-37.6000116.3F200F200-N217 HydrophobicContact CD1-CB 4.41Å; F200-N217 WeakPolarHBondContact CE1-O 3.4Å; F200-N217 HydrophobicContact CG-CB 4.3Å
218V88.1Confident88.4Confident51 Ų5173.1 Ų73.131%0.30940%0.4SS..  trans-101.5-39.3179.8175.90000112.5L146 L148 L158 I215 S216L146-V218 HydrophobicContact CD1-CG1 4.26Å; L146-V218 HydrophobicContact CD2-CG1 3.67Å; L148-V218 HydrophobicContact CD1-CG2 3.99Å; L158-V218 HydrophobicContact CD1-CG1 3.73Å; L158-V218 WeakPolarHBondContact CD1-O 3.43Å; I215-V218 HydrophobicContact CG2-CB 3.98Å; I215-V218 HydrophobicContact CG2-CG2 3.27Å; S216-V218 PolarHBondContact O-N 3.44Å
219S92.6Very high88.6Confident18 Ų1876.8 Ų76.813%0.12642%0.419CS..SBendtrans-94.1132177.6-177.50000111.8Q159 F200 E201Q159-S219 WeakPolarHBondContact CB-OG 3.31Å; Q159-S219 PolarHBondContact N-OG 2.71Å; Q159-S219 VanDerWaalsContact N-OG 3.16Å; F200-S219 CarbonylContact C-O 3.56Å; F200-S219 WeakPolarHBondContact CA-O 3.44Å; F200-S219 WeakPolarHBondContact CD1-O 3.25Å; E201-S219 PolarHBondContact N-O 3.5Å; E201-S219 PolarHBondContact OE2-OG 3.35Å
220A94.8Very high89Confident2 Ų274.3 Ų74.32%0.01741%0.406CS..EExtended strand (participates in β ladder)trans-84134.4177.700000111.7L136 Q159 P197L136-A220 HydrophobicContact CD1-CB 3.97Å; L136-A220 WeakPolarHBondContact CD1-O 3.45Å; Q159-A220 WeakPolarHBondContact CB-O 3.47Å; Q159-A220 WeakPolarHBondContact O-CB 3.42Å; Q159-A220 PolarHBondContact O-N 3.47Å; P197-A220 HydrophobicContact CB-CB 3.84Å; P197-A220 HydrophobicContact CG-CB 3.93Å
221K94.6Very high89.5Confident136 Ų13667.3 Ų67.359%0.59138%0.381SS*.EExtended strand (participates in β ladder)trans-95.6-33.1174.7-175.2172.9-178.3175.50112.9L136 K199L136-K221 WeakPolarHBondContact CD2-O 3.33Å; K199-K221 HydrophobicContact CB-CB 4.28Å; K199-K221 PolarHBondContact O-N 2.95Å
222S93.9Very high89.8Confident34 Ų3467.1 Ų67.124%0.23838%0.377CS..EExtended strand (participates in β ladder)trans-145.7148.9178.559.70000111.2P197 T198 K199P197-S222 CarbonylContact C-O 3.51Å; P197-S222 WeakPolarHBondContact CA-O 3.33Å; T198-S222 PolarHBondContact N-O 3.31Å; T198-S222 PolarHBondContact OG1-O 3.23Å; T198-S222 PolarHBondContact OG1-OG 3.43Å; K199-S222 VanDerWaalsContact CB-OG 3.29Å; K199-S222 WeakPolarHBondContact CB-OG 3.36Å; K199-S222 WeakPolarHBondContact CG-OG 3.47Å; K199-S222 PolarHBondContact N-OG 3.12Å; K199-S222 PolarHBondContact O-N 3.38Å
223C94.2Very high90.1Very high33 Ų3360.5 Ų60.522%0.22335%0.351CS..EExtended strand (participates in β ladder)trans-114.2147.6180-56.20000110.8L136 C161 R196L136-C223 WeakPolarHBondContact CD1-SG 3.44Å; C161-C223 WeakPolarHBondContact CA-SG 3.29Å; C161-C223 HydrophobicContact CB-CB 3.77Å; C161-C223 WeakPolarHBondContact CB-SG 3.4Å; C161-C223 WeakPolarHBondContact SG-CA 3.49Å; C161-C223 WeakPolarHBondContact SG-CB 3.48Å; C161-C223 CovalentContact SG-SG 2.03Å; C161-C223 PolarHBondContact SG-SG 3.37Å; R196-C223 WeakPolarHBondContact O-CA 3.34Å
224G90.8Very high90.3Very high17 Ų1761.1 Ų61.118%0.17536%0.357CS..EExtended strand (participates in β ladder)trans-148.1165.5173.300000111.6R196R196-G224 PolarHBondContact N-O 3.44Å; R196-G224 PolarHBondContact O-N 3.3Å; R196-G224 VanDerWaalsContact O-O 3.12Å
225C88.8Confident90.5Very high60 Ų6055.7 Ų55.741%0.40533%0.332SS..EExtended strand (participates in β ladder)trans-91.6115.4173.5-62.80000108.1C165 P193C165-C225 HydrophobicContact CB-CB 3.73Å; C165-C225 WeakPolarHBondContact CB-SG 3.09Å; C165-C225 VanDerWaalsContact SG-CA 3.6Å; C165-C225 WeakPolarHBondContact SG-CB 3.31Å; C165-C225 CovalentContact SG-SG 2.03Å; C165-C225 PolarHBondContact SG-SG 3.2Å; P193-C225 HydrophobicContact CB-CB 4.02Å; P193-C225 HydrophobicContact CG-CB 4.39Å
226V85.3Confident90.8Very high124 Ų12459.9 Ų59.975%0.75236%0.358SS*.  trans-129.20-177.7-57.50000112P193 C194 R196P193-V226 CarbonylContact C-O 3.57Å; P193-V226 WeakPolarHBondContact CA-O 3.09Å; C194-V226 PolarHBondContact N-O 3.48Å; C194-V226 PolarHBondContact O-N 3.35Å; C194-V226 VanDerWaalsContact O-N 3.11Å; R196-V226 HydrophobicContact CB-CG2 3.6Å; R196-V226 HydrophobicContact CG-CG2 3.72Å

Retrieved 226 of 226 residues in 242.9 ms (Link to these results)