A0A087XQG3_POEFO Loading...

FAD-dependent oxidoreductase domain-containing protein 1

Required for the assembly of the mitochondrial membrane respiratory chain NADH dehydrogenase (Complex I). Involved in mid-late stages of complex I assembly.

AlphaFold DB , UniProt , Accession A0A087XQG3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 501 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
1Q39.5Very low41.7Very low225 Ų225120.6 Ų120.6100%1.05163%0.631SS**  0-33.10-90.7166.6-24.100113G3Q1-G3 PolarHBondContact O-N 3.43Å
2T36.5Very low42.3Very low123 Ų123117.6 Ų117.676%0.75562%0.615SS**Hα-helixtrans-72.3-18.7178.441.90000116.1
3G33.7Very low42.8Very low55 Ų55115.5 Ų115.557%0.56761%0.605SS**Hα-helixtrans-77.4-26.4176.300000115.4Q1 F7Q1-G3 PolarHBondContact O-N 3.43Å; G3-F7 PolarHBondContact O-N 3.09Å
4C40Very low43.4Very low93 Ų93118.2 Ų118.263%0.62861%0.61SS**Hα-helixtrans-76.4-29.2-179.7-100.30000112.9R8C4-R8 WeakPolarHBondContact O-CG 3.43Å; C4-R8 PolarHBondContact O-N 2.91Å; C4-R8 VanDerWaalsContact O-N 3.14Å
5E38.7Very low43.9Very low134 Ų134113.9 Ų113.963%0.62659%0.588SS**Hα-helixtrans-75-39.1179-70.1-173.4158.500111.9F7 R8 F9E5-F7 VanDerWaalsContact C-N 3.32Å; E5-F7 PolarHBondContact O-N 3.4Å; E5-R8 PolarHBondContact O-N 3.16Å; E5-F9 PolarHBondContact O-N 3.26Å
6C39.3Very low44.1Very low84 Ų84112.4 Ų112.457%0.56858%0.581SS**Hα-helixtrans-60-41.5171.4-96.80000112.2F9 I10C6-F9 PolarHBondContact O-N 3.37Å; C6-I10 WeakPolarHBondContact O-CD1 3.36Å; C6-I10 VanDerWaalsContact O-CG1 3.25Å; C6-I10 WeakPolarHBondContact O-CG1 3.49Å; C6-I10 PolarHBondContact O-N 2.81Å
7F42Very low44.4Very low148 Ų148110.6 Ų110.665%0.64958%0.576SS**Hα-helixtrans-67-38.7178.7-135.1-91.4000112G3 E5 I10 L11G3-F7 PolarHBondContact O-N 3.09Å; E5-F7 VanDerWaalsContact C-N 3.32Å; E5-F7 PolarHBondContact O-N 3.4Å; F7-I10 PolarHBondContact O-N 3.46Å; F7-L11 HydrophobicContact CD1-CD1 4.45Å; F7-L11 HydrophobicContact CE1-CD1 4.44Å; F7-L11 WeakPolarHBondContact O-CB 3.4Å; F7-L11 PolarHBondContact O-N 3.41Å
8R45.1Very low44.6Very low138 Ų138106.8 Ų106.852%0.52156%0.561SS.*Hα-helixtrans-62.9-42.6173.1-80.1178.9176.3-178.3-1.7112.1C4 E5 L11 L12 L60C4-R8 WeakPolarHBondContact O-CG 3.43Å; C4-R8 PolarHBondContact O-N 2.91Å; C4-R8 VanDerWaalsContact O-N 3.14Å; E5-R8 PolarHBondContact O-N 3.16Å; R8-L11 PolarHBondContact O-N 3.4Å; R8-L12 WeakPolarHBondContact O-CB 3.48Å; R8-L12 PolarHBondContact O-N 2.95Å; R8-L60 HydrophobicContact CG-CD2 4.2Å; R8-L60 VanDerWaalsContact NE-CD2 3.33Å
9F47.3Very low44.9Very low146 Ų146105.2 Ų105.264%0.6455%0.552SS**Hα-helixtrans-66.6-39.4179.4-131.2-87.5000112.5E5 C6 L12 N13E5-F9 PolarHBondContact O-N 3.26Å; C6-F9 PolarHBondContact O-N 3.37Å; F9-L12 PolarHBondContact O-N 3.44Å; F9-N13 WeakPolarHBondContact O-CB 3.34Å; F9-N13 PolarHBondContact O-N 2.92Å
10I48.2Very low45Very low111 Ų111105.9 Ų105.957%0.56956%0.556SS**Hα-helixtrans-67.5-42.7176.4-67.4165.3000110.7C6 F7 N13 F14C6-I10 WeakPolarHBondContact O-CD1 3.36Å; C6-I10 VanDerWaalsContact O-CG1 3.25Å; C6-I10 WeakPolarHBondContact O-CG1 3.49Å; C6-I10 PolarHBondContact O-N 2.81Å; F7-I10 PolarHBondContact O-N 3.46Å; I10-N13 PolarHBondContact O-N 3.34Å; I10-F14 WeakPolarHBondContact O-CB 3.37Å; I10-F14 PolarHBondContact O-N 3.01Å
11L48.8Very low45Very low70 Ų70104.8 Ų104.837%0.36656%0.556SS.*Hα-helixtrans-64.5-40.2176.6-132.390.2000112F7 R8 F14 L15F7-L11 HydrophobicContact CD1-CD1 4.45Å; F7-L11 HydrophobicContact CE1-CD1 4.44Å; F7-L11 WeakPolarHBondContact O-CB 3.4Å; F7-L11 PolarHBondContact O-N 3.41Å; R8-L11 PolarHBondContact O-N 3.4Å; L11-F14 PolarHBondContact O-N 3.02Å; L11-L15 WeakPolarHBondContact O-CB 3.36Å; L11-L15 WeakPolarHBondContact O-CG 3.39Å; L11-L15 PolarHBondContact O-N 2.94Å
12L48.3Very low45.5Very low84 Ų8497 Ų9744%0.4452%0.521SS..Hα-helixtrans-64.6-45.1178.6-150.587.4000111R8 F9 L15 L16R8-L12 WeakPolarHBondContact O-CB 3.48Å; R8-L12 PolarHBondContact O-N 2.95Å; F9-L12 PolarHBondContact O-N 3.44Å; L12-L15 PolarHBondContact O-N 3.33Å; L12-L16 HydrophobicContact CD2-CD1 4.33Å; L12-L16 HydrophobicContact CG-CD1 4.29Å; L12-L16 WeakPolarHBondContact O-CB 3.38Å; L12-L16 PolarHBondContact O-N 3.39Å
13N48.7Very low46Very low91 Ų9197.1 Ų97.149%0.48751%0.511SS..Hα-helixtrans-61.3-46174.1-101.6-35.7000111.1F9 I10 L15 L16 T17F9-N13 WeakPolarHBondContact O-CB 3.34Å; F9-N13 PolarHBondContact O-N 2.92Å; I10-N13 PolarHBondContact O-N 3.34Å; N13-L15 VanDerWaalsContact C-N 3.3Å; N13-L15 PolarHBondContact O-N 2.94Å; N13-L16 PolarHBondContact O-N 2.95Å; N13-T17 WeakPolarHBondContact O-CB 3.49Å; N13-T17 PolarHBondContact O-N 3.47Å; N13-T17 PolarHBondContact O-OG1 2.91Å
14F51.2Low46.4Very low153 Ų15397.9 Ų97.967%0.67151%0.508SS*.Hα-helixtrans-60.9-38.5179.1-150.3-90.5000112.5I10 L11 S18I10-F14 WeakPolarHBondContact O-CB 3.37Å; I10-F14 PolarHBondContact O-N 3.01Å; L11-F14 PolarHBondContact O-N 3.02Å; F14-S18 VanDerWaalsContact O-CB 3.31Å; F14-S18 WeakPolarHBondContact O-CB 3.47Å; F14-S18 PolarHBondContact O-N 3.48Å; F14-S18 PolarHBondContact O-OG 3.36Å
15L50.8Low46.7Very low53 Ų5396.8 Ų96.828%0.27750%0.501SS..Hα-helixtrans-69-42.1175.3-79.6162.2000112.4L11 L12 N13 S18 L19 M52L11-L15 WeakPolarHBondContact O-CB 3.36Å; L11-L15 WeakPolarHBondContact O-CG 3.39Å; L11-L15 PolarHBondContact O-N 2.94Å; L12-L15 PolarHBondContact O-N 3.33Å; N13-L15 VanDerWaalsContact C-N 3.3Å; N13-L15 PolarHBondContact O-N 2.94Å; L15-S18 PolarHBondContact O-N 3.46Å; L15-L19 WeakPolarHBondContact O-CB 3.4Å; L15-L19 PolarHBondContact O-N 3.32Å; L15-M52 HydrophobicContact CD2-CG 4.03Å; L15-M52 HydrophobicContact CD2-SD 4.29Å
16L47.3Very low46.9Very low91 Ų9192.5 Ų92.548%0.47648%0.484SS..Hα-helixtrans-65.5-43.1176.1-94146.8000112.2L12 N13 S18 L19 L20L12-L16 HydrophobicContact CD2-CD1 4.33Å; L12-L16 HydrophobicContact CG-CD1 4.29Å; L12-L16 WeakPolarHBondContact O-CB 3.38Å; L12-L16 PolarHBondContact O-N 3.39Å; N13-L16 PolarHBondContact O-N 2.95Å; L16-S18 VanDerWaalsContact C-N 3.32Å; L16-S18 PolarHBondContact O-N 2.87Å; L16-L19 WeakPolarHBondContact O-CB 3.48Å; L16-L19 PolarHBondContact O-N 2.86Å; L16-L20 PolarHBondContact O-N 3.4Å
17T48.8Very low47.1Very low81 Ų8194.4 Ų94.450%0.49749%0.488SS..Hα-helixtrans-65.4-38.7175.4-41.10000111N13 L20 C21N13-T17 WeakPolarHBondContact O-CB 3.49Å; N13-T17 PolarHBondContact O-N 3.47Å; N13-T17 PolarHBondContact O-OG1 2.91Å; T17-L20 PolarHBondContact O-N 3.2Å; T17-C21 WeakPolarHBondContact O-CB 3.43Å; T17-C21 PolarHBondContact O-N 3.46Å; T17-C21 PolarHBondContact O-SG 3.44Å
18S49.5Very low47.2Very low43 Ų4393.9 Ų93.930%0.30149%0.492SS..Hα-helixtrans-64.6-40.3173.9-590000111.9F14 L15 L16 C21 I22F14-S18 VanDerWaalsContact O-CB 3.31Å; F14-S18 WeakPolarHBondContact O-CB 3.47Å; F14-S18 PolarHBondContact O-N 3.48Å; F14-S18 PolarHBondContact O-OG 3.36Å; L15-S18 PolarHBondContact O-N 3.46Å; L16-S18 VanDerWaalsContact C-N 3.32Å; L16-S18 PolarHBondContact O-N 2.87Å; S18-C21 PolarHBondContact O-N 2.92Å; S18-I22 WeakPolarHBondContact O-CB 3.46Å; S18-I22 WeakPolarHBondContact O-CD1 3.41Å; S18-I22 WeakPolarHBondContact O-CG1 3.31Å; S18-I22 PolarHBondContact O-N 3.47Å
19L49.5Very low47.1Very low75 Ų7595 Ų9539%0.39350%0.503SS..Hα-helixtrans-62.1-45.2174.9-114.7110.4000111.6L15 L16 I22 F23 M52L15-L19 WeakPolarHBondContact O-CB 3.4Å; L15-L19 PolarHBondContact O-N 3.32Å; L16-L19 WeakPolarHBondContact O-CB 3.48Å; L16-L19 PolarHBondContact O-N 2.86Å; L19-I22 PolarHBondContact O-N 2.84Å; L19-F23 HydrophobicContact CD2-CD2 4.44Å; L19-F23 HydrophobicContact CD2-CE2 4.22Å; L19-F23 WeakPolarHBondContact O-CB 3.44Å; L19-F23 WeakPolarHBondContact O-CD2 3.47Å; L19-F23 PolarHBondContact O-N 3.34Å; L19-M52 HydrophobicContact CD1-CE 4.03Å; L19-M52 HydrophobicContact CD1-SD 3.87Å
20L45.9Very low47Very low120 Ų12093.9 Ų93.963%0.62850%0.498SS*.Hα-helixtrans-66.2-39.7178.4-79.8157.6000112L16 T17 S24L16-L20 PolarHBondContact O-N 3.4Å; T17-L20 PolarHBondContact O-N 3.2Å; L20-S24 WeakPolarHBondContact O-CB 3.25Å; L20-S24 PolarHBondContact O-N 3.14Å
21C46.1Very low46.8Very low83 Ų8396.8 Ų96.856%0.56151%0.513SS*.Hα-helixtrans-66.4-40.3174.5-77.90000112.4T17 S18 S24 S25T17-C21 WeakPolarHBondContact O-CB 3.43Å; T17-C21 PolarHBondContact O-N 3.46Å; T17-C21 PolarHBondContact O-SG 3.44Å; S18-C21 PolarHBondContact O-N 2.92Å; C21-S24 PolarHBondContact O-N 3.43Å; C21-S25 WeakPolarHBondContact O-CB 3.46Å; C21-S25 PolarHBondContact O-N 2.96Å; C21-S25 PolarHBondContact O-OG 3.5Å
22I50.9Low46.6Very low62 Ų6297.4 Ų97.432%0.31852%0.524SS..Hα-helixtrans-65.2-48.6175.8-67.4164000109.7S18 L19 S24 S25 V26S18-I22 WeakPolarHBondContact O-CB 3.46Å; S18-I22 WeakPolarHBondContact O-CD1 3.41Å; S18-I22 WeakPolarHBondContact O-CG1 3.31Å; S18-I22 PolarHBondContact O-N 3.47Å; L19-I22 PolarHBondContact O-N 2.84Å; I22-S24 VanDerWaalsContact C-N 3.34Å; I22-S24 PolarHBondContact O-N 3.01Å; I22-S25 PolarHBondContact O-N 3.46Å; I22-S25 PolarHBondContact O-OG 2.96Å; I22-V26 HydrophobicContact CG2-CG2 4.33Å; I22-V26 VanDerWaalsContact O-CB 3.3Å; I22-V26 WeakPolarHBondContact O-CB 3.39Å; I22-V26 WeakPolarHBondContact O-CG2 3.48Å; I22-V26 PolarHBondContact O-N 3.14Å
23F46.1Very low46.3Very low125 Ų12599 Ų9955%0.54854%0.537SS..Hα-helixtrans-61-40.5176.9-96.1-91.9000112.8L19 V26 L27L19-F23 HydrophobicContact CD2-CD2 4.44Å; L19-F23 HydrophobicContact CD2-CE2 4.22Å; L19-F23 WeakPolarHBondContact O-CB 3.44Å; L19-F23 WeakPolarHBondContact O-CD2 3.47Å; L19-F23 PolarHBondContact O-N 3.34Å; F23-V26 PolarHBondContact O-N 3.29Å; F23-L27 WeakPolarHBondContact O-CB 3.19Å; F23-L27 PolarHBondContact O-N 3.44Å
24S42.6Very low46.3Very low71 Ų7197.5 Ų97.550%0.49754%0.543SS..Hα-helixtrans-65.9-46.4177.6-173.30000112L20 C21 I22 V26 L27 D28L20-S24 WeakPolarHBondContact O-CB 3.25Å; L20-S24 PolarHBondContact O-N 3.14Å; C21-S24 PolarHBondContact O-N 3.43Å; I22-S24 VanDerWaalsContact C-N 3.34Å; I22-S24 PolarHBondContact O-N 3.01Å; S24-V26 PolarHBondContact O-N 3.34Å; S24-L27 PolarHBondContact O-N 3.01Å; S24-D28 PolarHBondContact O-N 3.42Å
25S45.3Very low46.1Very low69 Ų6993.8 Ų93.848%0.48355%0.548SS..Hα-helixtrans-63.9-31.5177.867.50000112.7C21 I22C21-S25 WeakPolarHBondContact O-CB 3.46Å; C21-S25 PolarHBondContact O-N 2.96Å; C21-S25 PolarHBondContact O-OG 3.5Å; I22-S25 PolarHBondContact O-N 3.46Å; I22-S25 PolarHBondContact O-OG 2.96Å
26V43.6Very low45.9Very low45 Ų4595.6 Ų95.627%0.27357%0.57SS.*Hα-helixtrans-81.7-24.2-178.7170.40000112.9I22 F23 S24 K30 F41I22-V26 HydrophobicContact CG2-CG2 4.33Å; I22-V26 VanDerWaalsContact O-CB 3.3Å; I22-V26 WeakPolarHBondContact O-CB 3.39Å; I22-V26 WeakPolarHBondContact O-CG2 3.48Å; I22-V26 PolarHBondContact O-N 3.14Å; F23-V26 PolarHBondContact O-N 3.29Å; S24-V26 PolarHBondContact O-N 3.34Å; V26-K30 HydrophobicContact CG1-CD 4.5Å; V26-F41 HydrophobicContact CG1-CE2 3.88Å; V26-F41 HydrophobicContact CG1-CZ 4.32Å
27L43.5Very low46Very low124 Ų12496.6 Ų96.665%0.64958%0.575SS**Hα-helixtrans-76.5-35.3174-101.4142.5000111.8F23 S24 K30F23-L27 WeakPolarHBondContact O-CB 3.19Å; F23-L27 PolarHBondContact O-N 3.44Å; S24-L27 PolarHBondContact O-N 3.01Å; L27-K30 PolarHBondContact O-N 3.36Å
28D43Very low45.9Very low137 Ų137101.6 Ų101.673%0.73359%0.585SS**Hα-helixtrans-71-31.2178.7-85.8-24.3000113.4S24 K30S24-D28 PolarHBondContact O-N 3.42Å; D28-K30 VanDerWaalsContact C-N 3.35Å; D28-K30 PolarHBondContact O-N 2.69Å
29E42.9Very low45.8Very low161 Ų161105.3 Ų105.375%0.75260%0.602SS**G310 helixtrans-78.8-12177.1-91.8-174.9159.800114.3
30K45.6Very low45.9Very low123 Ų123106.7 Ų106.754%0.53561%0.61SS.*G310 helixtrans-102.212.1-167-92.8-177.4-179.7170.60117.1V26 L27 D28 S32 F41V26-K30 HydrophobicContact CG1-CD 4.5Å; L27-K30 PolarHBondContact O-N 3.36Å; D28-K30 VanDerWaalsContact C-N 3.35Å; D28-K30 PolarHBondContact O-N 2.69Å; K30-S32 PolarHBondContact O-N 3.01Å; K30-F41 VanDerWaalsContact NZ-CE2 3.34Å; K30-F41 VanDerWaalsContact NZ-CZ 3.33Å
31L44.5Very low46.1Very low171 Ų171104.2 Ų104.290%0.89559%0.594SS**G310 helixtrans-81.35.7164.8-84.4158.9000113.4
32S45.3Very low46.3Very low84 Ų84104.1 Ų104.159%0.58759%0.587SS**SBendtrans-145.1108.6-176.2-174.50000112.9K30K30-S32 PolarHBondContact O-N 3.01Å
33T42.1Very low46.6Very low118 Ų118108.4 Ų108.472%0.72460%0.604SS**  trans94.5123.2157.974.50000122.7
34G48.6Very low47.1Very low59 Ų59108.4 Ų108.461%0.60861%0.605SS**  71.2116.8125.800000122.7A36 L37G34-A36 VanDerWaalsContact C-N 3.32Å; G34-A36 PolarHBondContact O-N 3.49Å; G34-L37 PolarHBondContact O-N 2.93Å
35G47.1Very low47.6Very low74 Ų74107.9 Ų107.976%0.76360%0.597SS**THydrogen-bonded Turntrans-63.3-6.3-175.200000119.7
36A45.7Very low47.9Very low91 Ų91111.7 Ų111.775%0.75261%0.605SS**THydrogen-bonded Turntrans-74.2-27.717500000112.8G34 R38G34-A36 VanDerWaalsContact C-N 3.32Å; G34-A36 PolarHBondContact O-N 3.49Å; A36-R38 PolarHBondContact O-N 3.17Å
37L48.9Very low49Very low112 Ų112112.5 Ų112.559%0.58662%0.616SS**Hα-helixtrans-69.9-12.8177.9-83.6146.3000113.9G34 F41G34-L37 PolarHBondContact O-N 2.93Å; L37-F41 WeakPolarHBondContact O-CB 3.18Å; L37-F41 PolarHBondContact O-N 3.43Å
38R47.8Very low49.7Very low186 Ų186110.9 Ų110.970%0.70261%0.605SS**Hα-helixtrans-74.2-31.1-173.7-164.7174.6174.6178.5-1.6113.6A36 L42A36-R38 PolarHBondContact O-N 3.17Å; R38-L42 WeakPolarHBondContact O-CG 3.2Å; R38-L42 PolarHBondContact O-N 3.13Å
39N46.1Very low50Low121 Ų121108.4 Ų108.465%0.64759%0.59SS**Hα-helixtrans-81.3-38179.6-83-16.6000112.6L42 K43N39-L42 PolarHBondContact O-N 3.41Å; N39-K43 PolarHBondContact O-N 3.17Å; N39-K43 VanDerWaalsContact O-N 3.13Å
40D53.1Low50.9Low105 Ų105103.5 Ų103.556%0.56158%0.577SS**Hα-helixtrans-68.9-37.3172.7-77.1-21.7000110.9L42 K43 E44D40-L42 PolarHBondContact O-N 2.85Å; D40-K43 WeakPolarHBondContact O-CB 3.32Å; D40-K43 PolarHBondContact O-N 3.17Å; D40-K43 VanDerWaalsContact O-N 3.14Å; D40-E44 WeakPolarHBondContact O-CB 3.36Å; D40-E44 PolarHBondContact O-N 3.05Å
41F50.1Low51.8Low68 Ų68100.2 Ų100.230%0.29857%0.573SS.*Hα-helixtrans-58.2-44.7170.6175.5-102.7000113.3V26 K30 L37 K43 E44 L45V26-F41 HydrophobicContact CG1-CE2 3.88Å; V26-F41 HydrophobicContact CG1-CZ 4.32Å; K30-F41 VanDerWaalsContact NZ-CE2 3.34Å; K30-F41 VanDerWaalsContact NZ-CZ 3.33Å; L37-F41 WeakPolarHBondContact O-CB 3.18Å; L37-F41 PolarHBondContact O-N 3.43Å; F41-K43 VanDerWaalsContact C-N 3.29Å; F41-K43 PolarHBondContact O-N 3.43Å; F41-E44 PolarHBondContact O-N 3.25Å; F41-L45 HydrophobicContact CE1-CD2 4.41Å; F41-L45 WeakPolarHBondContact O-CB 3.13Å; F41-L45 PolarHBondContact O-N 3.04Å
42L48.6Very low52.4Low80 Ų8095 Ų9542%0.41955%0.545SS..Hα-helixtrans-67-31177.1-79.3167.9000112.4R38 N39 D40 K46R38-L42 WeakPolarHBondContact O-CG 3.2Å; R38-L42 PolarHBondContact O-N 3.13Å; N39-L42 PolarHBondContact O-N 3.41Å; D40-L42 PolarHBondContact O-N 2.85Å; L42-K46 WeakPolarHBondContact O-CB 3.34Å; L42-K46 WeakPolarHBondContact O-CD 3.41Å; L42-K46 WeakPolarHBondContact O-CG 3.5Å; L42-K46 PolarHBondContact O-N 2.96Å; L42-K46 VanDerWaalsContact O-N 3.17Å
43K57.5Low52.7Low152 Ų15297.2 Ų97.266%0.66154%0.543SS*.Hα-helixtrans-70.3-45.1173.2-98.5178.4174.7177.40111.6N39 D40 F41 K46 A47N39-K43 PolarHBondContact O-N 3.17Å; N39-K43 VanDerWaalsContact O-N 3.13Å; D40-K43 WeakPolarHBondContact O-CB 3.32Å; D40-K43 PolarHBondContact O-N 3.17Å; D40-K43 VanDerWaalsContact O-N 3.14Å; F41-K43 VanDerWaalsContact C-N 3.29Å; F41-K43 PolarHBondContact O-N 3.43Å; K43-K46 PolarHBondContact O-N 2.85Å; K43-A47 WeakPolarHBondContact O-CB 3.47Å; K43-A47 PolarHBondContact O-N 3.01Å
44E57.9Low53.7Low125 Ų12598.4 Ų98.458%0.58454%0.539SS*.Hα-helixtrans-70.4-40.1-177.9-162.9159.7-155.800111.7D40 F41 K46 A47 Q48D40-E44 WeakPolarHBondContact O-CB 3.36Å; D40-E44 PolarHBondContact O-N 3.05Å; F41-E44 PolarHBondContact O-N 3.25Å; E44-K46 PolarHBondContact O-N 3.38Å; E44-A47 PolarHBondContact O-N 3.48Å; E44-Q48 WeakPolarHBondContact O-CB 3.41Å; E44-Q48 WeakPolarHBondContact O-CG 3.21Å; E44-Q48 PolarHBondContact O-N 3.36Å
45L52.7Low54.4Low60 Ų60103.4 Ų103.431%0.31454%0.544SS..Hα-helixtrans-61-43.7171.2-170.772.2000111.3F41 A47 Q48 M49F41-L45 HydrophobicContact CE1-CD2 4.41Å; F41-L45 WeakPolarHBondContact O-CB 3.13Å; F41-L45 PolarHBondContact O-N 3.04Å; L45-A47 VanDerWaalsContact C-N 3.34Å; L45-A47 PolarHBondContact O-N 2.94Å; L45-Q48 PolarHBondContact O-N 3.33Å; L45-M49 HydrophobicContact CG-SD 4.3Å; L45-M49 WeakPolarHBondContact O-CB 3.48Å; L45-M49 WeakPolarHBondContact O-CG 3.4Å; L45-M49 PolarHBondContact O-N 2.93Å
46K52.3Low54.7Low150 Ų150101.2 Ų101.265%0.65252%0.518SS*.Hα-helixtrans-62.6-39.7174.9-80.6175.6-179.3-179.60112.2L42 K43 E44 A50L42-K46 WeakPolarHBondContact O-CB 3.34Å; L42-K46 WeakPolarHBondContact O-CD 3.41Å; L42-K46 WeakPolarHBondContact O-CG 3.5Å; L42-K46 PolarHBondContact O-N 2.96Å; L42-K46 VanDerWaalsContact O-N 3.17Å; K43-K46 PolarHBondContact O-N 2.85Å; E44-K46 PolarHBondContact O-N 3.38Å; K46-A50 WeakPolarHBondContact O-CB 3.41Å; K46-A50 PolarHBondContact O-N 3.5Å
47A64.8Low55.2Low61 Ų6199.7 Ų99.750%0.50451%0.506SS..Hα-helixtrans-67-43.1177.600000111.9K43 E44 L45 A50 A51K43-A47 WeakPolarHBondContact O-CB 3.47Å; K43-A47 PolarHBondContact O-N 3.01Å; E44-A47 PolarHBondContact O-N 3.48Å; L45-A47 VanDerWaalsContact C-N 3.34Å; L45-A47 PolarHBondContact O-N 2.94Å; A47-A50 PolarHBondContact O-N 2.93Å; A47-A51 WeakPolarHBondContact O-CB 3.08Å; A47-A51 PolarHBondContact O-N 3.2Å
48Q59Low55.8Low90 Ų9099.9 Ų99.942%0.42151%0.508SS..Hα-helixtrans-65.9-41.3175.9-71.8-175.82.900111.9E44 L45 A50 A51 M52E44-Q48 WeakPolarHBondContact O-CB 3.41Å; E44-Q48 WeakPolarHBondContact O-CG 3.21Å; E44-Q48 PolarHBondContact O-N 3.36Å; L45-Q48 PolarHBondContact O-N 3.33Å; Q48-A50 VanDerWaalsContact C-N 3.33Å; Q48-A50 PolarHBondContact O-N 3.26Å; Q48-A51 PolarHBondContact O-N 3.38Å; Q48-M52 WeakPolarHBondContact O-CB 3.5Å; Q48-M52 PolarHBondContact O-N 2.89Å
49M49.8Very low56.2Low86 Ų8693.2 Ų93.242%0.42450%0.497SS..Hα-helixtrans-64.4-36.3174.2-71.6-177.794.200112.4L45 M52 K53 F68L45-M49 HydrophobicContact CG-SD 4.3Å; L45-M49 WeakPolarHBondContact O-CB 3.48Å; L45-M49 WeakPolarHBondContact O-CG 3.4Å; L45-M49 PolarHBondContact O-N 2.93Å; M49-M52 PolarHBondContact O-N 3.39Å; M49-K53 PolarHBondContact O-N 2.97Å; M49-F68 HydrophobicContact CE-CE2 3.87Å; M49-F68 HydrophobicContact CE-CZ 3.98Å
50A61.3Low56.7Low57 Ų5790.2 Ų90.247%0.47148%0.48SS..Hα-helixtrans-68.3-41.8174.800000112.1K46 A47 Q48 M52 K53 K54K46-A50 WeakPolarHBondContact O-CB 3.41Å; K46-A50 PolarHBondContact O-N 3.5Å; A47-A50 PolarHBondContact O-N 2.93Å; Q48-A50 VanDerWaalsContact C-N 3.33Å; Q48-A50 PolarHBondContact O-N 3.26Å; A50-M52 VanDerWaalsContact C-N 3.31Å; A50-M52 PolarHBondContact O-N 2.89Å; A50-K53 PolarHBondContact O-N 3.46Å; A50-K54 PolarHBondContact O-N 2.77Å
51A64.6Low56.4Low55 Ų5590.6 Ų90.646%0.45549%0.489SS..Hα-helixtrans-64.4-36.6174.900000112.1A47 Q48 K54 K55A47-A51 WeakPolarHBondContact O-CB 3.08Å; A47-A51 PolarHBondContact O-N 3.2Å; Q48-A51 PolarHBondContact O-N 3.38Å; A51-K54 PolarHBondContact O-N 2.83Å; A51-K55 PolarHBondContact O-N 3.39Å
52M56.4Low56.3Low62 Ų6293 Ų9331%0.30551%0.514SS..Hα-helixtrans-70.3-41.2176.4-160.9-180-82.500111.7L15 L19 Q48 M49 A50 K54 K55 A56L15-M52 HydrophobicContact CD2-CG 4.03Å; L15-M52 HydrophobicContact CD2-SD 4.29Å; L19-M52 HydrophobicContact CD1-CE 4.03Å; L19-M52 HydrophobicContact CD1-SD 3.87Å; Q48-M52 WeakPolarHBondContact O-CB 3.5Å; Q48-M52 PolarHBondContact O-N 2.89Å; M49-M52 PolarHBondContact O-N 3.39Å; A50-M52 VanDerWaalsContact C-N 3.31Å; A50-M52 PolarHBondContact O-N 2.89Å; M52-K54 VanDerWaalsContact C-N 3.3Å; M52-K54 PolarHBondContact O-N 2.92Å; M52-K55 PolarHBondContact O-N 2.92Å; M52-A56 WeakPolarHBondContact O-CB 3.3Å; M52-A56 PolarHBondContact O-N 3.34Å
53K52.8Low56.3Low129 Ų12991.6 Ų91.656%0.56151%0.511SS*.Hα-helixtrans-56.8-43170.2-88-174.8175.4-177.40112.1M49 A50 A56 A57M49-K53 PolarHBondContact O-N 2.97Å; A50-K53 PolarHBondContact O-N 3.46Å; K53-A56 PolarHBondContact O-N 3.35Å; K53-A57 WeakPolarHBondContact O-CB 3.5Å; K53-A57 PolarHBondContact O-N 3.34Å
54K62.6Low55.7Low143 Ų14392.5 Ų92.562%0.62252%0.523SS*.Hα-helixtrans-64.7-47.7178.3-168.6176.8178.2-178.50111.5A50 A51 M52 A56 A57 D58A50-K54 PolarHBondContact O-N 2.77Å; A51-K54 PolarHBondContact O-N 2.83Å; M52-K54 VanDerWaalsContact C-N 3.3Å; M52-K54 PolarHBondContact O-N 2.92Å; K54-A56 VanDerWaalsContact C-N 3.32Å; K54-A56 PolarHBondContact O-N 3.39Å; K54-A57 PolarHBondContact O-N 2.84Å; K54-D58 WeakPolarHBondContact O-CB 3.17Å; K54-D58 PolarHBondContact O-N 3.41Å
55K63.2Low54.9Low164 Ų16493.8 Ų93.871%0.71352%0.522SS*.Hα-helixtrans-61.2-36.7175.6-82.7-175.7174.2-179.20113.5A51 M52 G59A51-K55 PolarHBondContact O-N 3.39Å; M52-K55 PolarHBondContact O-N 2.92Å; K55-G59 PolarHBondContact O-N 3.48Å; K55-G59 VanDerWaalsContact O-N 3.09Å
56A53.6Low54.1Low28 Ų2896.9 Ų96.923%0.23154%0.537CS..Hα-helixtrans-70.5-40.3176.700000112.1M52 K53 K54 G59 L60M52-A56 WeakPolarHBondContact O-CB 3.3Å; M52-A56 PolarHBondContact O-N 3.34Å; K53-A56 PolarHBondContact O-N 3.35Å; K54-A56 VanDerWaalsContact C-N 3.32Å; K54-A56 PolarHBondContact O-N 3.39Å; A56-G59 PolarHBondContact O-N 3.05Å; A56-L60 PolarHBondContact O-N 3.43Å; A56-L60 VanDerWaalsContact O-N 3.16Å
57A55.8Low53.4Low59 Ų5992.9 Ų92.949%0.48853%0.526SS..Hα-helixtrans-66.4-38.9175.100000112.4K53 K54 L60K53-A57 WeakPolarHBondContact O-CB 3.5Å; K53-A57 PolarHBondContact O-N 3.34Å; K54-A57 PolarHBondContact O-N 2.84Å; A57-L60 CarbonylContact O-C 3.59Å
58D62.5Low52.3Low117 Ų11797.4 Ų97.463%0.62653%0.534SS*.Hα-helixtrans-71.5-29.3177.9-66-20.9000112.1K54K54-D58 WeakPolarHBondContact O-CB 3.17Å; K54-D58 PolarHBondContact O-N 3.41Å
59G56.2Low51.3Low46 Ų46101.2 Ų101.247%0.47455%0.552SS.*Hα-helixtrans-85.8-20.118000000115.4K55 A56K55-G59 PolarHBondContact O-N 3.48Å; K55-G59 VanDerWaalsContact O-N 3.09Å; A56-G59 PolarHBondContact O-N 3.05Å
60L55.8Low51.1Low57 Ų57104.2 Ų104.230%0.29857%0.569SS.*SBendtrans-14275.2-179.5-76.6160.1000110.5R8 A56 A57 S62 S63R8-L60 HydrophobicContact CG-CD2 4.2Å; R8-L60 VanDerWaalsContact NE-CD2 3.33Å; A56-L60 PolarHBondContact O-N 3.43Å; A56-L60 VanDerWaalsContact O-N 3.16Å; A57-L60 CarbonylContact O-C 3.59Å; L60-S62 VanDerWaalsContact C-N 3.28Å; L60-S62 PolarHBondContact O-N 3.44Å; L60-S63 WeakPolarHBondContact CB-OG 3.5Å; L60-S63 PolarHBondContact O-N 3.05Å; L60-S63 PolarHBondContact O-OG 3.49Å
61P46.8Very low50.7Low114 Ų114105 Ų10574%0.7457%0.565SS**THydrogen-bonded Turntrans-74.482.9-179.230.1-33.1000110.1
62S48.3Very low50.4Low118 Ų118107.6 Ų107.683%0.82558%0.577SS**THydrogen-bonded Turntrans153.55.3162.767.90000113.5L60L60-S62 VanDerWaalsContact C-N 3.28Å; L60-S62 PolarHBondContact O-N 3.44Å
63S48.4Very low51Low51 Ų51109.5 Ų109.536%0.35759%0.589SS.*  trans-90.8120.8177.260.80000111.8L60 W65L60-S63 WeakPolarHBondContact CB-OG 3.5Å; L60-S63 PolarHBondContact O-N 3.05Å; L60-S63 PolarHBondContact O-OG 3.49Å; S63-W65 PolarHBondContact O-N 3.43Å
64N44.2Very low52.5Low171 Ų171106.6 Ų106.691%0.91458%0.579SS**  trans-7042.6169.6-86.6-8.3000112.5M66N64-M66 PolarHBondContact O-N 3.25Å
65W41Very low53.9Low152 Ų152100.4 Ų100.458%0.57655%0.553SS**  trans-79.8108.1179.9-168.575.8000109.8S63 P67S63-W65 PolarHBondContact O-N 3.43Å; W65-P67 HydrophobicContact CE3-CG 4.37Å; W65-P67 HydrophobicContact CH2-CB 4Å; W65-P67 HydrophobicContact CH2-CG 4.19Å; W65-P67 HydrophobicContact CZ3-CB 4.17Å; W65-P67 HydrophobicContact CZ3-CG 3.83Å
66M37Very low55.3Low125 Ų12594.2 Ų94.262%0.61653%0.529SS*.  trans-102131.7166.6-64.5-163.288.900108.6N64 F68N64-M66 PolarHBondContact O-N 3.25Å; M66-F68 PolarHBondContact O-N 2.96Å
67P37.4Very low57.3Low65 Ų65100.6 Ų100.642%0.42256%0.555SS.*SBendtrans-70.32.6-176.9-8.522.1000114.6W65W65-P67 HydrophobicContact CE3-CG 4.37Å; W65-P67 HydrophobicContact CH2-CB 4Å; W65-P67 HydrophobicContact CH2-CG 4.19Å; W65-P67 HydrophobicContact CZ3-CB 4.17Å; W65-P67 HydrophobicContact CZ3-CG 3.83Å
68F40.7Very low59.3Low156 Ų15699.9 Ų99.968%0.68454%0.544SS*.  trans-128.374.2176.9-62.4-77.4000107.7M49 M66 I70M49-F68 HydrophobicContact CE-CE2 3.87Å; M49-F68 HydrophobicContact CE-CZ 3.98Å; M66-F68 PolarHBondContact O-N 2.96Å; F68-I70 PolarHBondContact O-N 3.19Å
69E38.1Very low60.9Low171 Ų17194.5 Ų94.580%0.79952%0.516SS*.  trans-67.5109.2156.6-80.8-179.5165.500106.6N71E69-N71 PolarHBondContact O-N 3.01Å
70I45.9Very low62.9Low149 Ų14995.3 Ų95.376%0.76451%0.509SS*.  trans-54.6111.3158.8-61.5170.1000104F68 P72F68-I70 PolarHBondContact O-N 3.19Å; I70-P72 WeakPolarHBondContact O-CD 3.17Å
71N53.3Low64.9Low73 Ų7392.9 Ų92.939%0.3950%0.497SS..  trans-52.6111.4174.7175.3-4.8000106.5E69 N73 L74E69-N71 PolarHBondContact O-N 3.01Å; N71-N73 PolarHBondContact O-N 3.14Å; N71-N73 WeakPolarHBondContact OD1-CB 3.37Å; N71-N73 PolarHBondContact OD1-N 3.44Å; N71-N73 VanDerWaalsContact OD1-N 3.16Å; N71-N73 PolarHBondContact OD1-ND2 3.39Å; N71-L74 HydrophobicContact CB-CD1 3.89Å; N71-L74 HydrophobicContact CB-CG 3.9Å; N71-L74 PolarHBondContact O-N 3.07Å
72P58.3Low67.4Low109 Ų10987.5 Ų87.571%0.70846%0.462SS*.THydrogen-bonded Turntrans-65.2-11.2-170.226.1-34.5000112.1I70I70-P72 WeakPolarHBondContact O-CD 3.17Å
73N69.4Low69.8Low103 Ų10381.9 Ų81.955%0.55142%0.422SS*.THydrogen-bonded Turntrans-88-11.3177.2-55.6-50.7000113.3N71 M288N71-N73 PolarHBondContact O-N 3.14Å; N71-N73 WeakPolarHBondContact OD1-CB 3.37Å; N71-N73 PolarHBondContact OD1-N 3.44Å; N71-N73 VanDerWaalsContact OD1-N 3.16Å; N71-N73 PolarHBondContact OD1-ND2 3.39Å; N73-M288 WeakPolarHBondContact O-CE 3.43Å
74L84.3Confident72.2Confident68 Ų6879.9 Ų79.936%0.35641%0.408SS..SBendtrans-80141.3176.2-68.4177.1000110.5N71 M288 Q295N71-L74 HydrophobicContact CB-CD1 3.89Å; N71-L74 HydrophobicContact CB-CG 3.9Å; N71-L74 PolarHBondContact O-N 3.07Å; L74-M288 HydrophobicContact CD2-CE 4.38Å; L74-M288 HydrophobicContact CD2-CG 4.04Å; L74-M288 HydrophobicContact CD2-SD 4.48Å; L74-Q295 HydrophobicContact CD2-CG 4.1Å
75P90.8Very high74.7Confident13 Ų1372.2 Ų72.28%0.08437%0.369CS..PPolyproline II helixtrans-66.1154.9171.830.2-34.7000110.1L110 C254 V286 M288 Q295 V297P75-L110 HydrophobicContact CB-CD2 4.03Å; P75-C254 HydrophobicContact CB-CB 4.2Å; P75-V286 HydrophobicContact CG-CB 4.43Å; P75-M288 WeakPolarHBondContact CD-SD 3.29Å; P75-M288 HydrophobicContact CG-SD 4.15Å; P75-Q295 HydrophobicContact CG-CB 3.74Å; P75-Q295 HydrophobicContact CG-CG 4.49Å; P75-V297 HydrophobicContact CB-CG2 3.61Å; P75-V297 HydrophobicContact CG-CG2 3.88Å
76P93.9Very high77.4Confident33 Ų3365 Ų6521%0.21434%0.342CS..PPolyproline II helixtrans-64.9152.4171.830.9-36.8000110.5T78 L110 I252 V297P76-T78 PolarHBondContact O-N 2.82Å; P76-T78 VanDerWaalsContact O-N 3.16Å; P76-L110 HydrophobicContact CG-CD2 4.5Å; P76-I252 HydrophobicContact CB-CD1 4.48Å; P76-I252 HydrophobicContact CG-CD1 3.94Å; P76-V297 WeakPolarHBondContact O-CG1 3.29Å; P76-V297 WeakPolarHBondContact O-CG2 2.88Å
77E95.4Very high80.4Confident163 Ų16359.6 Ų59.676%0.76232%0.318SS*.SBendtrans-59.7-27.6174-64.3179.9173.700112.6E298E77-E298 PolarHBondContact O-N 3.09Å
78T97Very high83.3Confident44 Ų4456.7 Ų56.727%0.2730%0.299SS..EExtended strand (participates in β ladder)trans-142140-176.955.60000111.6P76 R108 E298P76-T78 PolarHBondContact O-N 2.82Å; P76-T78 VanDerWaalsContact O-N 3.16Å; T78-R108 VanDerWaalsContact O-CZ 3.27Å; T78-R108 PolarHBondContact O-NH1 2.75Å; T78-R108 VanDerWaalsContact OG1-CZ 3.23Å; T78-R108 PolarHBondContact OG1-NH1 2.68Å; T78-R108 PolarHBondContact OG1-NH2 2.75Å; T78-E298 CarbonylContact C-O 3.45Å; T78-E298 WeakPolarHBondContact CA-O 3.13Å; T78-E298 HydrophobicContact CG2-CB 4.09Å; T78-E298 HydrophobicContact CG2-CG 4.47Å
79A97.3Very high86Confident4 Ų450.1 Ų50.13%0.03327%0.271CS..EExtended strand (participates in β ladder)trans-140150.6172.100000109.5V82 L110 V297 E298 C299A79-V82 HydrophobicContact CB-CG2 4.05Å; A79-L110 HydrophobicContact CB-CB 3.96Å; A79-V297 HydrophobicContact CB-CG1 4Å; A79-E298 PolarHBondContact N-O 2.84Å; A79-E298 VanDerWaalsContact O-O 3.13Å; A79-C299 WeakPolarHBondContact O-CA 3.36Å; A79-C299 WeakPolarHBondContact O-CB 3.16Å
80D97Very high88.9Confident62 Ų6242 Ų4233%0.33223%0.233SC..EExtended strand (participates in β ladder)trans-74.7-43.4176.2-59.2-60.8000110M107 R108 A300 L301D80-M107 HydrophobicContact CB-CG 4.13Å; D80-M107 WeakPolarHBondContact OD2-CA 3.49Å; D80-R108 PolarHBondContact N-O 3.01Å; D80-R108 PolarHBondContact OD2-N 2.82Å; D80-A300 WeakPolarHBondContact O-CB 3.36Å; D80-A300 PolarHBondContact O-N 3.26Å; D80-L301 PolarHBondContact O-N 3.16Å; D80-L301 VanDerWaalsContact O-N 3.08Å
81I98.3Very high91.4Very high7 Ų734.9 Ų34.94%0.03620%0.197CC..EExtended strand (participates in β ladder)trans-127.5128.2179.4-57.9177.5000109.4I83 L97 M107 R108 V109 L110 L301 V303 I471I81-I83 HydrophobicContact CG2-CG1 4.09Å; I81-L97 HydrophobicContact CD1-CD1 3.8Å; I81-L97 HydrophobicContact CD1-CD2 3.86Å; I81-L97 HydrophobicContact CD1-CG 4.42Å; I81-L97 HydrophobicContact CG2-CD1 4.12Å; I81-M107 HydrophobicContact CD1-CE 4.44Å; I81-M107 HydrophobicContact CD1-CG 4.4Å; I81-M107 HydrophobicContact CD1-SD 3.56Å; I81-M107 VanDerWaalsContact CD1-SD 3.56Å; I81-M107 HydrophobicContact CG1-SD 4.38Å; I81-R108 PolarHBondContact N-O 2.99Å; I81-V109 HydrophobicContact CB-CG2 4.48Å; I81-V109 WeakPolarHBondContact O-CA 2.98Å; I81-L110 PolarHBondContact O-N 3.35Å; I81-L301 WeakPolarHBondContact CA-O 3.04Å; I81-L301 HydrophobicContact CG1-CB 4.31Å; I81-L301 HydrophobicContact CG1-CD2 4.33Å; I81-L301 HydrophobicContact CG2-CD2 3.79Å; I81-V303 HydrophobicContact CG2-CG2 4.07Å; I81-I471 HydrophobicContact CD1-CG2 4.05Å
82V98.8Very high93.6Very high0 Ų031.4 Ų31.40%018%0.178CC..EExtended strand (participates in β ladder)trans-108.7119.2169.4-179.90000109.3A79 V84 L110 V112 V284 V297 C299 L301 V302 V303A79-V82 HydrophobicContact CB-CG2 4.05Å; V82-V84 HydrophobicContact CG1-CG2 4.33Å; V82-L110 CarbonylContact C-O 3.55Å; V82-L110 WeakPolarHBondContact CA-O 3.29Å; V82-L110 HydrophobicContact CG1-CD2 4.41Å; V82-L110 HydrophobicContact CG2-CB 4.4Å; V82-L110 HydrophobicContact CG2-CD2 4.26Å; V82-V112 HydrophobicContact CG1-CG2 4.04Å; V82-V284 HydrophobicContact CB-CG2 4.11Å; V82-V284 HydrophobicContact CG1-CB 4.46Å; V82-V284 HydrophobicContact CG1-CG2 4Å; V82-V284 HydrophobicContact CG2-CG2 4.26Å; V82-V297 HydrophobicContact CG2-CG1 3.97Å; V82-C299 HydrophobicContact CG2-CB 3.67Å; V82-L301 PolarHBondContact N-O 2.95Å; V82-V302 CarbonylContact O-C 3.56Å; V82-V302 VanDerWaalsContact O-CA 3.23Å; V82-V302 WeakPolarHBondContact O-CA 3.16Å; V82-V303 PolarHBondContact O-N 3Å
83I98.9Very high95.5Very high0 Ų026.2 Ų26.20%014%0.144CC..EExtended strand (participates in β ladder)trans-99.1120.3174.3-56.6173.2000107.5I81 I93 A94 L97 V109 L110 V111 V112 V303 A305I81-I83 HydrophobicContact CG2-CG1 4.09Å; I83-I93 HydrophobicContact CD1-CB 4.31Å; I83-I93 HydrophobicContact CD1-CG2 3.92Å; I83-A94 HydrophobicContact CD1-CB 3.65Å; I83-L97 HydrophobicContact CD1-CD1 4.11Å; I83-V109 HydrophobicContact CD1-CG1 3.67Å; I83-V109 HydrophobicContact CG1-CG1 4.24Å; I83-L110 PolarHBondContact N-O 3.16Å; I83-V111 HydrophobicContact CB-CG2 4.22Å; I83-V111 HydrophobicContact CD1-CG2 4.18Å; I83-V111 WeakPolarHBondContact O-CA 3.46Å; I83-V112 PolarHBondContact O-N 3.02Å; I83-V303 HydrophobicContact CB-CB 4.47Å; I83-V303 HydrophobicContact CG1-CB 4.11Å; I83-V303 HydrophobicContact CG1-CG2 4.19Å; I83-V303 HydrophobicContact CG2-CB 4.38Å; I83-A305 HydrophobicContact CG2-CB 4.23Å
84V98.8Very high96.9Very high9 Ų921.3 Ų21.36%0.05512%0.118CC..EExtended strand (participates in β ladder)trans-98.7117.4179.1-169.30000109V82 V258 V302 V303 A305 A306 L313V82-V84 HydrophobicContact CG1-CG2 4.33Å; V84-V258 HydrophobicContact CB-CG2 4.31Å; V84-V258 HydrophobicContact CG1-CB 3.78Å; V84-V258 HydrophobicContact CG1-CG1 4.46Å; V84-V258 HydrophobicContact CG1-CG2 3.53Å; V84-V258 HydrophobicContact CG2-CG2 3.86Å; V84-V302 HydrophobicContact CG2-CG1 3.94Å; V84-V303 PolarHBondContact N-O 3.48Å; V84-A305 CarbonylContact O-C 3.5Å; V84-A305 WeakPolarHBondContact O-CA 3.2Å; V84-A305 PolarHBondContact O-N 2.92Å; V84-A306 PolarHBondContact O-N 3.32Å; V84-A306 VanDerWaalsContact O-N 3.11Å; V84-L313 HydrophobicContact CB-CD1 4.01Å; V84-L313 HydrophobicContact CG1-CD1 3.42Å; V84-L313 VanDerWaalsContact CG1-CD1 3.42Å; V84-L313 HydrophobicContact CG1-CD2 4.36Å
85G98.3Very high97.6Very high10 Ų1018.1 Ų18.110%0.10310%0.102CC..  trans104.1112.6-170.900000110.8G90 V112G85-G90 WeakPolarHBondContact O-CA 3.47Å; G85-V112 WeakPolarHBondContact CA-O 3.33Å; G85-V112 PolarHBondContact N-O 2.91Å
86G97.7Very high98Very high0 Ų018.7 Ų18.70%010%0.102CC..  trans-102.427178.800000113.2W91 E113 Y118G86-W91 PolarHBondContact O-NE1 3.16Å; G86-E113 VanDerWaalsContact CA-OE2 3.25Å; G86-E113 WeakPolarHBondContact CA-OE2 3.42Å; G86-E113 PolarHBondContact N-OE2 2.76Å; G86-Y118 WeakPolarHBondContact O-CE1 3.35Å; G86-Y118 PolarHBondContact O-OH 2.86Å
87G97.9Very high98.1Very high12 Ų1217.1 Ų17.112%0.1249%0.092CC..SBendtrans-68.5-175.6164.300000112M89 G90 W91G87-M89 PolarHBondContact O-N 2.93Å; G87-G90 PolarHBondContact O-N 3.12Å; G87-G90 VanDerWaalsContact O-N 3.16Å; G87-W91 PolarHBondContact O-N 2.64Å; G87-W91 VanDerWaalsContact O-N 3.13Å
88V98.3Very high98.2Very high4 Ų410.3 Ų10.32%0.0246%0.06CC..Hα-helixtrans-58.9-34.9-17668.20000112.5S92 T123 L238 F242 L457 S460V88-S92 WeakPolarHBondContact O-CB 3.39Å; V88-S92 PolarHBondContact O-N 3.19Å; V88-T123 HydrophobicContact CB-CG2 3.7Å; V88-T123 HydrophobicContact CG1-CG2 3.95Å; V88-T123 PolarHBondContact N-OG1 3.5Å; V88-T123 VanDerWaalsContact N-OG1 3.15Å; V88-L238 HydrophobicContact CG2-CD2 3.92Å; V88-L238 HydrophobicContact CG2-CG 3.96Å; V88-F242 HydrophobicContact CG2-CD2 3.9Å; V88-F242 HydrophobicContact CG2-CE2 4.2Å; V88-L457 HydrophobicContact CB-CD1 4.35Å; V88-L457 HydrophobicContact CG1-CD1 3.88Å; V88-L457 HydrophobicContact CG2-CD1 4.41Å; V88-S460 WeakPolarHBondContact CG2-OG 3.49Å
89M98.6Very high98.1Very high18 Ų1812.9 Ų12.99%0.0897%0.068CC..Hα-helixtrans-61.6-50.8177.4-16565.471.900111.5G87 W91 S92 I93 A305 A449 F452 V463G87-M89 PolarHBondContact O-N 2.93Å; M89-W91 PolarHBondContact O-N 2.56Å; M89-S92 PolarHBondContact O-N 3.14Å; M89-I93 HydrophobicContact CG-CD1 4.1Å; M89-I93 WeakPolarHBondContact O-CD1 3.34Å; M89-I93 WeakPolarHBondContact O-CG1 3.46Å; M89-I93 PolarHBondContact O-N 3.05Å; M89-A305 HydrophobicContact CB-CB 4.47Å; M89-A305 HydrophobicContact CG-CB 4.34Å; M89-A449 HydrophobicContact CG-CB 4.02Å; M89-A449 HydrophobicContact SD-CB 4.42Å; M89-F452 HydrophobicContact CE-CD2 3.54Å; M89-F452 HydrophobicContact CE-CE1 4.49Å; M89-F452 HydrophobicContact CE-CE2 3.34Å; M89-F452 HydrophobicContact CE-CG 4.22Å; M89-F452 HydrophobicContact CE-CZ 3.88Å; M89-F452 HydrophobicContact SD-CE2 4.24Å; M89-V463 HydrophobicContact CE-CB 4.33Å; M89-V463 HydrophobicContact CE-CG1 4.17Å; M89-V463 HydrophobicContact SD-CB 3.69Å; M89-V463 HydrophobicContact SD-CG1 3.34Å; M89-V463 WeakPolarHBondContact SD-CG1 3.29Å; M89-V463 HydrophobicContact SD-CG2 4.48Å
90G98.8Very high97.9Very high0 Ų015.1 Ų15.10%08%0.077CC..Hα-helixtrans-63.6-43-179.600000112.9G85 G87 I93 A94G85-G90 WeakPolarHBondContact O-CA 3.47Å; G87-G90 PolarHBondContact O-N 3.12Å; G87-G90 VanDerWaalsContact O-N 3.16Å; G90-I93 PolarHBondContact O-N 2.76Å; G90-A94 WeakPolarHBondContact O-CB 3.34Å; G90-A94 PolarHBondContact O-N 2.9Å
91W98.8Very high97.4Very high0 Ų014 Ų140%07%0.07CC..Hα-helixtrans-70.5-34.5177.2-74.8115000113.6G86 G87 M89 A94 Y95 V111 Y118 F242 R243 A246 M247 V251 Q253G86-W91 PolarHBondContact O-NE1 3.16Å; G87-W91 PolarHBondContact O-N 2.64Å; G87-W91 VanDerWaalsContact O-N 3.13Å; M89-W91 PolarHBondContact O-N 2.56Å; W91-A94 HydrophobicContact CE3-CB 4.28Å; W91-A94 PolarHBondContact O-N 2.8Å; W91-Y95 WeakPolarHBondContact O-CB 2.98Å; W91-Y95 PolarHBondContact O-N 2.85Å; W91-V111 HydrophobicContact CD2-CG1 4.3Å; W91-V111 HydrophobicContact CD2-CG2 4.38Å; W91-V111 HydrophobicContact CE3-CG2 3.97Å; W91-V111 HydrophobicContact CH2-CB 3.87Å; W91-V111 HydrophobicContact CH2-CG1 4.27Å; W91-V111 HydrophobicContact CH2-CG2 4.06Å; W91-V111 HydrophobicContact CZ2-CB 3.98Å; W91-V111 HydrophobicContact CZ2-CG1 3.87Å; W91-V111 HydrophobicContact CZ2-CG2 4.45Å; W91-V111 HydrophobicContact CZ3-CB 4.16Å; W91-V111 HydrophobicContact CZ3-CG2 3.82Å; W91-Y118 PolarHBondContact NE1-OH 3.41Å; W91-F242 HydrophobicContact CB-CB 3.77Å; W91-R243 HydrophobicContact CD2-CB 3.8Å; W91-R243 HydrophobicContact CD2-CG 3.9Å; W91-R243 HydrophobicContact CE3-CB 4.27Å; W91-R243 HydrophobicContact CE3-CG 4.24Å; W91-R243 HydrophobicContact CG-CB 3.98Å; W91-R243 HydrophobicContact CH2-CG 3.97Å; W91-R243 HydrophobicContact CZ2-CB 4.42Å; W91-R243 HydrophobicContact CZ2-CG 3.6Å; W91-R243 HydrophobicContact CZ3-CG 4.26Å; W91-A246 HydrophobicContact CE3-CB 3.8Å; W91-A246 HydrophobicContact CZ3-CB 4.08Å; W91-M247 HydrophobicContact CH2-CG 4.01Å; W91-M247 HydrophobicContact CH2-SD 4.32Å; W91-M247 HydrophobicContact CZ3-CG 4.02Å; W91-V251 HydrophobicContact CE3-CG1 4.48Å; W91-V251 HydrophobicContact CH2-CG1 4.38Å; W91-V251 HydrophobicContact CZ3-CB 4.3Å; W91-V251 HydrophobicContact CZ3-CG1 3.68Å; W91-Q253 HydrophobicContact CH2-CB 3.95Å; W91-Q253 HydrophobicContact CH2-CG 4.14Å; W91-Q253 HydrophobicContact CZ2-CB 4.29Å; W91-Q253 HydrophobicContact CZ2-CG 3.94Å
92S98.9Very high96.1Very high0 Ų021.2 Ų21.20%010%0.101CC..Hα-helixtrans-62.4-45.8172.61790000111.3V88 M89 A94 Y95 W96 S460 G464V88-S92 WeakPolarHBondContact O-CB 3.39Å; V88-S92 PolarHBondContact O-N 3.19Å; M89-S92 PolarHBondContact O-N 3.14Å; S92-A94 PolarHBondContact O-N 2.95Å; S92-Y95 PolarHBondContact O-N 2.9Å; S92-W96 VanDerWaalsContact O-CD1 3.29Å; S92-W96 PolarHBondContact O-N 2.91Å; S92-S460 VanDerWaalsContact CB-O 3.29Å; S92-S460 WeakPolarHBondContact CB-O 3.46Å; S92-S460 PolarHBondContact OG-O 3.38Å; S92-G464 WeakPolarHBondContact OG-CA 3.34Å
93I98.9Very high94.1Very high0 Ų029.5 Ų29.50%014%0.138CC..Hα-helixtrans-59.9-46.5174.8-65.1161.8000110.4I83 M89 G90 Y95 W96 L97 V303 A305 A449 V467I83-I93 HydrophobicContact CD1-CB 4.31Å; I83-I93 HydrophobicContact CD1-CG2 3.92Å; M89-I93 HydrophobicContact CG-CD1 4.1Å; M89-I93 WeakPolarHBondContact O-CD1 3.34Å; M89-I93 WeakPolarHBondContact O-CG1 3.46Å; M89-I93 PolarHBondContact O-N 3.05Å; G90-I93 PolarHBondContact O-N 2.76Å; I93-Y95 PolarHBondContact O-N 3.47Å; I93-W96 PolarHBondContact O-N 3.35Å; I93-L97 HydrophobicContact CG2-CD1 3.83Å; I93-L97 HydrophobicContact CG2-CG 4.27Å; I93-L97 WeakPolarHBondContact O-CB 3.42Å; I93-L97 VanDerWaalsContact O-CG 3.28Å; I93-L97 WeakPolarHBondContact O-CG 3.11Å; I93-L97 PolarHBondContact O-N 2.93Å; I93-V303 HydrophobicContact CD1-CG1 3.93Å; I93-V303 HydrophobicContact CG2-CG1 4.43Å; I93-A305 HydrophobicContact CD1-CB 4.22Å; I93-A449 HydrophobicContact CD1-CB 3.68Å; I93-V467 HydrophobicContact CD1-CB 4.36Å; I93-V467 HydrophobicContact CD1-CG1 4.17Å; I93-V467 HydrophobicContact CD1-CG2 4.23Å; I93-V467 HydrophobicContact CG1-CB 4.04Å; I93-V467 HydrophobicContact CG1-CG1 4.12Å; I93-V467 HydrophobicContact CG1-CG2 4.3Å; I93-V467 HydrophobicContact CG2-CB 4.4Å; I93-V467 HydrophobicContact CG2-CG1 3.81Å
94A98.8Very high92Very high0 Ų033.2 Ų33.20%016%0.164CC..Hα-helixtrans-59.6-44.9178.900000112.3I83 G90 W91 S92 K98 V109 V111 A246 V251I83-A94 HydrophobicContact CD1-CB 3.65Å; G90-A94 WeakPolarHBondContact O-CB 3.34Å; G90-A94 PolarHBondContact O-N 2.9Å; W91-A94 HydrophobicContact CE3-CB 4.28Å; W91-A94 PolarHBondContact O-N 2.8Å; S92-A94 PolarHBondContact O-N 2.95Å; A94-K98 WeakPolarHBondContact O-CG 3.42Å; A94-K98 PolarHBondContact O-N 3.17Å; A94-V109 HydrophobicContact CB-CG1 4.2Å; A94-V111 HydrophobicContact CB-CG2 3.76Å; A94-A246 HydrophobicContact CB-CB 4.34Å; A94-V251 HydrophobicContact CB-CG1 4.02Å; A94-V251 HydrophobicContact CB-CG2 4.13Å
95Y98.6Very high90.4Very high2 Ų242.1 Ų42.11%0.00820%0.202CC..Hα-helixtrans-58.4-52.8175162.4-103.1000111.3W91 S92 I93 L97 K98 Q99 F149 H156 L157 F242 K245 M249W91-Y95 WeakPolarHBondContact O-CB 2.98Å; W91-Y95 PolarHBondContact O-N 2.85Å; S92-Y95 PolarHBondContact O-N 2.9Å; I93-Y95 PolarHBondContact O-N 3.47Å; Y95-L97 VanDerWaalsContact C-N 3.35Å; Y95-L97 PolarHBondContact O-N 3.38Å; Y95-K98 PolarHBondContact O-N 3.12Å; Y95-K98 VanDerWaalsContact O-N 3.16Å; Y95-Q99 HydrophobicContact CE2-CB 4.36Å; Y95-Q99 WeakPolarHBondContact O-CB 3.4Å; Y95-Q99 PolarHBondContact O-N 2.77Å; Y95-F149 AromaticContact CE1-CE2 3.88Å; Y95-F149 HydrophobicContact CE1-CE2 3.88Å; Y95-F149 AromaticContact CE1-CZ 3.97Å; Y95-F149 HydrophobicContact CE1-CZ 3.97Å; Y95-H156 WeakPolarHBondContact OH-CB 3.4Å; Y95-H156 PolarHBondContact OH-O 3.45Å; Y95-L157 HydrophobicContact CD1-CD2 4.2Å; Y95-L157 HydrophobicContact CD2-CD2 3.77Å; Y95-L157 HydrophobicContact CE1-CD2 4.13Å; Y95-L157 HydrophobicContact CE2-CD2 3.7Å; Y95-L157 HydrophobicContact CG-CD2 4.01Å; Y95-F242 HydrophobicContact CD1-CD1 4.05Å; Y95-F242 AromaticContact CD1-CE1 3.74Å; Y95-F242 HydrophobicContact CD1-CE1 3.74Å; Y95-F242 HydrophobicContact CE1-CE1 4.37Å; Y95-F242 HydrophobicContact CG-CD1 4.04Å; Y95-F242 HydrophobicContact CG-CE1 4.22Å; Y95-K245 HydrophobicContact CD2-CB 4.41Å; Y95-K245 HydrophobicContact CD2-CG 3.61Å; Y95-K245 HydrophobicContact CE2-CG 3.69Å; Y95-M249 HydrophobicContact CD2-SD 3.87Å; Y95-M249 HydrophobicContact CE2-SD 4.12Å
96W98.4Very high89.6Confident24 Ų2449.2 Ų49.29%0.09123%0.23CC..Hα-helixtrans-67.1-34.8-176.7-81.4112.8000113.2S92 I93 K98 Q99 K100 F149 P461 G464 R465 A468S92-W96 VanDerWaalsContact O-CD1 3.29Å; S92-W96 PolarHBondContact O-N 2.91Å; I93-W96 PolarHBondContact O-N 3.35Å; W96-K98 VanDerWaalsContact C-N 3.34Å; W96-K98 PolarHBondContact O-N 2.86Å; W96-Q99 HydrophobicContact CE3-CB 4.23Å; W96-Q99 HydrophobicContact CE3-CG 4.17Å; W96-Q99 HydrophobicContact CZ3-CG 4.17Å; W96-Q99 PolarHBondContact O-N 2.86Å; W96-K100 HydrophobicContact CE3-CD 4.22Å; W96-K100 HydrophobicContact CE3-CG 4.09Å; W96-K100 WeakPolarHBondContact O-CB 3.41Å; W96-K100 WeakPolarHBondContact O-CG 3.3Å; W96-K100 PolarHBondContact O-N 2.88Å; W96-F149 AromaticContact CZ2-CD2 3.83Å; W96-F149 HydrophobicContact CZ2-CD2 3.83Å; W96-F149 AromaticContact CZ2-CE2 3.67Å; W96-F149 HydrophobicContact CZ2-CE2 3.67Å; W96-P461 PolarHBondContact NE1-O 3.13Å; W96-G464 VanDerWaalsContact CD1-C 3.42Å; W96-R465 HydrophobicContact CD2-CB 3.73Å; W96-R465 HydrophobicContact CD2-CG 3.99Å; W96-R465 HydrophobicContact CE3-CB 4.3Å; W96-R465 HydrophobicContact CE3-CG 4.03Å; W96-R465 HydrophobicContact CG-CB 3.93Å; W96-R465 HydrophobicContact CH2-CG 4.29Å; W96-R465 HydrophobicContact CZ2-CB 4.08Å; W96-R465 HydrophobicContact CZ2-CG 4.24Å; W96-R465 HydrophobicContact CZ3-CG 4.19Å; W96-A468 HydrophobicContact CB-CB 3.65Å
97L97.7Very high89.4Confident0 Ų050.5 Ų50.50%024%0.236CC..Hα-helixtrans-57.9-46.5171.5-78.5170.6000111.3I81 I83 I93 Y95 E101 M107 V109 A468 I471 L472I81-L97 HydrophobicContact CD1-CD1 3.8Å; I81-L97 HydrophobicContact CD1-CD2 3.86Å; I81-L97 HydrophobicContact CD1-CG 4.42Å; I81-L97 HydrophobicContact CG2-CD1 4.12Å; I83-L97 HydrophobicContact CD1-CD1 4.11Å; I93-L97 HydrophobicContact CG2-CD1 3.83Å; I93-L97 HydrophobicContact CG2-CG 4.27Å; I93-L97 WeakPolarHBondContact O-CB 3.42Å; I93-L97 VanDerWaalsContact O-CG 3.28Å; I93-L97 WeakPolarHBondContact O-CG 3.11Å; I93-L97 PolarHBondContact O-N 2.93Å; Y95-L97 VanDerWaalsContact C-N 3.35Å; Y95-L97 PolarHBondContact O-N 3.38Å; L97-E101 WeakPolarHBondContact O-CB 3.39Å; L97-E101 PolarHBondContact O-N 2.9Å; L97-E101 VanDerWaalsContact O-N 3.16Å; L97-M107 HydrophobicContact CB-CE 3.81Å; L97-M107 HydrophobicContact CD2-CE 4.4Å; L97-M107 VanDerWaalsContact O-CE 3.29Å; L97-M107 WeakPolarHBondContact O-CE 3.46Å; L97-V109 HydrophobicContact CB-CG2 4.49Å; L97-V109 HydrophobicContact CD1-CG1 4.47Å; L97-A468 HydrophobicContact CD2-CB 4.05Å; L97-A468 HydrophobicContact CG-CB 4.13Å; L97-I471 HydrophobicContact CD2-CB 4.16Å; L97-I471 HydrophobicContact CD2-CD1 4.19Å; L97-I471 HydrophobicContact CD2-CG2 3.93Å; L97-L472 HydrophobicContact CD2-CD1 4.24Å; L97-L472 HydrophobicContact CD2-CD2 4.4Å; L97-L472 HydrophobicContact CD2-CG 4.09Å
98K96.2Very high89.2Confident20 Ų2054.8 Ų54.89%0.08725%0.249CC..Hα-helixtrans-71.7-35.2177-63-58.1-71.4167.40112.8A94 Y95 W96 E101 M107 V109 M249 V251A94-K98 WeakPolarHBondContact O-CG 3.42Å; A94-K98 PolarHBondContact O-N 3.17Å; Y95-K98 PolarHBondContact O-N 3.12Å; Y95-K98 VanDerWaalsContact O-N 3.16Å; W96-K98 VanDerWaalsContact C-N 3.34Å; W96-K98 PolarHBondContact O-N 2.86Å; K98-E101 IonicContact NZ-OE2 2.74Å; K98-E101 PolarHBondContact NZ-OE2 3.16Å; K98-M107 PolarHBondContact NZ-O 3.07Å; K98-V109 HydrophobicContact CD-CG2 3.97Å; K98-M249 HydrophobicContact CB-CB 3.94Å; K98-M249 HydrophobicContact CB-CE 3.67Å; K98-M249 HydrophobicContact CB-SD 4.21Å; K98-M249 WeakPolarHBondContact CE-O 3.18Å; K98-M249 HydrophobicContact CG-CB 4.24Å; K98-V251 HydrophobicContact CD-CG2 4.14Å; K98-V251 HydrophobicContact CG-CG2 3.46Å; K98-V251 VanDerWaalsContact CG-CG2 3.46Å
99Q95.6Very high89.2Confident98 Ų9854.6 Ų54.646%0.45825%0.247SC..Hα-helixtrans-68.7-36-179.8-175.961.615.500112.3Y95 W96 M249Y95-Q99 HydrophobicContact CE2-CB 4.36Å; Y95-Q99 WeakPolarHBondContact O-CB 3.4Å; Y95-Q99 PolarHBondContact O-N 2.77Å; W96-Q99 HydrophobicContact CE3-CB 4.23Å; W96-Q99 HydrophobicContact CE3-CG 4.17Å; W96-Q99 HydrophobicContact CZ3-CG 4.17Å; W96-Q99 PolarHBondContact O-N 2.86Å; Q99-M249 HydrophobicContact CB-CE 4.06Å
100K93.1Very high89.2Confident51 Ų5153.8 Ų53.822%0.22224%0.243CC..Hα-helixtrans-94.7-4.7-178.6-64.3-175.673.399.80113.8W96 K102 A468 E469 L472W96-K100 HydrophobicContact CE3-CD 4.22Å; W96-K100 HydrophobicContact CE3-CG 4.09Å; W96-K100 WeakPolarHBondContact O-CB 3.41Å; W96-K100 WeakPolarHBondContact O-CG 3.3Å; W96-K100 PolarHBondContact O-N 2.88Å; K100-K102 PolarHBondContact O-N 2.9Å; K100-A468 HydrophobicContact CD-CB 4.32Å; K100-E469 HydrophobicContact CD-CG 4.05Å; K100-E469 IonicContact NZ-OE1 3.26Å; K100-E469 PolarHBondContact NZ-OE1 2.76Å; K100-L472 HydrophobicContact CB-CD1 3.73Å
101E86.1Confident89.2Confident38 Ų3853.8 Ų53.818%0.17824%0.243CC..  trans-57.5108.9179.2-167.4-173174.200110.5L97 K98 F103 K106 M107L97-E101 WeakPolarHBondContact O-CB 3.39Å; L97-E101 PolarHBondContact O-N 2.9Å; L97-E101 VanDerWaalsContact O-N 3.16Å; K98-E101 IonicContact NZ-OE2 2.74Å; K98-E101 PolarHBondContact NZ-OE2 3.16Å; E101-F103 WeakPolarHBondContact CG-O 3.43Å; E101-K106 PolarHBondContact OE1-N 2.84Å; E101-M107 HydrophobicContact CB-CE 4.22Å; E101-M107 VanDerWaalsContact CD-CB 3.44Å; E101-M107 HydrophobicContact CG-CB 4.21Å; E101-M107 HydrophobicContact CG-CE 4.12Å; E101-M107 WeakPolarHBondContact OE1-CB 3.34Å; E101-M107 PolarHBondContact OE1-N 3.17Å
102K72.1Confident89.2Confident159 Ų15953.9 Ų53.969%0.69124%0.244SC*.  trans-81.7-25.4-177.9-63.1177.5-169.7157.90113.4K100 D473K100-K102 PolarHBondContact O-N 2.9Å; K102-D473 IonicContact NZ-OD1 3.89Å; K102-D473 PolarHBondContact NZ-OD1 2.89Å
103F55.2Low89.1Confident175 Ų17554.7 Ų54.777%0.76825%0.248SC*.SBendtrans-101146.7-178-65.7-77.3000110.5E101 K105E101-F103 WeakPolarHBondContact CG-O 3.43Å; F103-K105 PolarHBondContact O-N 2.88Å; F103-K105 VanDerWaalsContact O-N 3.12Å
104S54.7Low88.9Confident78 Ų7858.3 Ų58.355%0.54526%0.261SS..SBendtrans-27.6111-173.459.90000113.4K106S104-K106 WeakPolarHBondContact O-CA 3.34Å; S104-K106 WeakPolarHBondContact O-CB 3.45Å; S104-K106 WeakPolarHBondContact O-CG 3.16Å; S104-K106 PolarHBondContact O-N 2.83Å; S104-K106 WeakPolarHBondContact OG-CD 3.49Å
105K65.5Low88.7Confident196 Ų19659 Ų5985%0.85227%0.265SS*.SBendtrans-18.959.4172.3-60.7179.5176.2-178.10116.8F103F103-K105 PolarHBondContact O-N 2.88Å; F103-K105 VanDerWaalsContact O-N 3.12Å
106K82.8Confident88.5Confident158 Ų15861.7 Ų61.769%0.68728%0.283SS*.  trans-131.8-16.2-166.9-74.8-178.1-174.5176.40110.8E101 S104 R108E101-K106 PolarHBondContact OE1-N 2.84Å; S104-K106 WeakPolarHBondContact O-CA 3.34Å; S104-K106 WeakPolarHBondContact O-CB 3.45Å; S104-K106 WeakPolarHBondContact O-CG 3.16Å; S104-K106 PolarHBondContact O-N 2.83Å; S104-K106 WeakPolarHBondContact OG-CD 3.49Å; K106-R108 PolarHBondContact O-N 3.46Å; K106-R108 VanDerWaalsContact O-N 3.07Å
107M91.8Very high88.3Confident27 Ų2764.8 Ų64.813%0.13331%0.305CS..  trans-58.1114.9171.3-173.7170.962.600108.8D80 I81 L97 K98 E101 V109 L472D80-M107 HydrophobicContact CB-CG 4.13Å; D80-M107 WeakPolarHBondContact OD2-CA 3.49Å; I81-M107 HydrophobicContact CD1-CE 4.44Å; I81-M107 HydrophobicContact CD1-CG 4.4Å; I81-M107 HydrophobicContact CD1-SD 3.56Å; I81-M107 VanDerWaalsContact CD1-SD 3.56Å; I81-M107 HydrophobicContact CG1-SD 4.38Å; L97-M107 HydrophobicContact CB-CE 3.81Å; L97-M107 HydrophobicContact CD2-CE 4.4Å; L97-M107 VanDerWaalsContact O-CE 3.29Å; L97-M107 WeakPolarHBondContact O-CE 3.46Å; K98-M107 PolarHBondContact NZ-O 3.07Å; E101-M107 HydrophobicContact CB-CE 4.22Å; E101-M107 VanDerWaalsContact CD-CB 3.44Å; E101-M107 HydrophobicContact CG-CB 4.21Å; E101-M107 HydrophobicContact CG-CE 4.12Å; E101-M107 WeakPolarHBondContact OE1-CB 3.34Å; E101-M107 PolarHBondContact OE1-N 3.17Å; M107-V109 HydrophobicContact CE-CG2 4.05Å; M107-V109 HydrophobicContact CG-CG2 4.07Å; M107-L472 HydrophobicContact CE-CD2 4.44Å; M107-L472 HydrophobicContact SD-CD2 4.23Å
108R95.2Very high88.2Confident103 Ų10364.8 Ų64.839%0.38931%0.305SS..  trans-87.6107.1176.8-67.4-177.1-65.6166.53.8108.3T78 D80 I81 K106T78-R108 VanDerWaalsContact O-CZ 3.27Å; T78-R108 PolarHBondContact O-NH1 2.75Å; T78-R108 VanDerWaalsContact OG1-CZ 3.23Å; T78-R108 PolarHBondContact OG1-NH1 2.68Å; T78-R108 PolarHBondContact OG1-NH2 2.75Å; D80-R108 PolarHBondContact N-O 3.01Å; D80-R108 PolarHBondContact OD2-N 2.82Å; I81-R108 PolarHBondContact N-O 2.99Å; K106-R108 PolarHBondContact O-N 3.46Å; K106-R108 VanDerWaalsContact O-N 3.07Å
109V97.9Very high88.2Confident0 Ų067.1 Ų67.10%032%0.323CS..EExtended strand (participates in β ladder)trans-103125.1175.5-176.90000107.7I81 I83 A94 L97 K98 M107 V251 I252I81-V109 HydrophobicContact CB-CG2 4.48Å; I81-V109 WeakPolarHBondContact O-CA 2.98Å; I83-V109 HydrophobicContact CD1-CG1 3.67Å; I83-V109 HydrophobicContact CG1-CG1 4.24Å; A94-V109 HydrophobicContact CB-CG1 4.2Å; L97-V109 HydrophobicContact CB-CG2 4.49Å; L97-V109 HydrophobicContact CD1-CG1 4.47Å; K98-V109 HydrophobicContact CD-CG2 3.97Å; M107-V109 HydrophobicContact CE-CG2 4.05Å; M107-V109 HydrophobicContact CG-CG2 4.07Å; V109-V251 HydrophobicContact CB-CG1 4.3Å; V109-V251 HydrophobicContact CB-CG2 4.19Å; V109-V251 HydrophobicContact CG1-CG1 4.15Å; V109-V251 HydrophobicContact CG1-CG2 4.46Å; V109-I252 PolarHBondContact O-N 3.33Å
110L98.5Very high88Confident0 Ų067.1 Ų67.10%032%0.323CS..EExtended strand (participates in β ladder)trans-109.5127.6174.417665.8000109.2P75 P76 A79 I81 V82 I83 V112 I252 C254 V297P75-L110 HydrophobicContact CB-CD2 4.03Å; P76-L110 HydrophobicContact CG-CD2 4.5Å; A79-L110 HydrophobicContact CB-CB 3.96Å; I81-L110 PolarHBondContact O-N 3.35Å; V82-L110 CarbonylContact C-O 3.55Å; V82-L110 WeakPolarHBondContact CA-O 3.29Å; V82-L110 HydrophobicContact CG1-CD2 4.41Å; V82-L110 HydrophobicContact CG2-CB 4.4Å; V82-L110 HydrophobicContact CG2-CD2 4.26Å; I83-L110 PolarHBondContact N-O 3.16Å; L110-V112 HydrophobicContact CD2-CG2 3.9Å; L110-V112 HydrophobicContact CG-CG2 3.94Å; L110-I252 CarbonylContact C-O 3.59Å; L110-I252 WeakPolarHBondContact CA-O 3.2Å; L110-I252 HydrophobicContact CD1-CB 3.95Å; L110-I252 HydrophobicContact CD1-CG2 3.71Å; L110-C254 HydrophobicContact CD1-CB 3.72Å; L110-V297 HydrophobicContact CD2-CB 4.42Å; L110-V297 HydrophobicContact CD2-CG1 3.88Å; L110-V297 HydrophobicContact CD2-CG2 3.99Å
111V98.8Very high88.1Confident0 Ų065.4 Ų65.40%032%0.319CS..EExtended strand (participates in β ladder)trans-105.1122.7169-179.50000108.6I83 W91 A94 V251 I252 C254I83-V111 HydrophobicContact CB-CG2 4.22Å; I83-V111 HydrophobicContact CD1-CG2 4.18Å; I83-V111 WeakPolarHBondContact O-CA 3.46Å; W91-V111 HydrophobicContact CD2-CG1 4.3Å; W91-V111 HydrophobicContact CD2-CG2 4.38Å; W91-V111 HydrophobicContact CE3-CG2 3.97Å; W91-V111 HydrophobicContact CH2-CB 3.87Å; W91-V111 HydrophobicContact CH2-CG1 4.27Å; W91-V111 HydrophobicContact CH2-CG2 4.06Å; W91-V111 HydrophobicContact CZ2-CB 3.98Å; W91-V111 HydrophobicContact CZ2-CG1 3.87Å; W91-V111 HydrophobicContact CZ2-CG2 4.45Å; W91-V111 HydrophobicContact CZ3-CB 4.16Å; W91-V111 HydrophobicContact CZ3-CG2 3.82Å; A94-V111 HydrophobicContact CB-CG2 3.76Å; V111-V251 HydrophobicContact CG2-CG1 3.73Å; V111-I252 PolarHBondContact N-O 2.73Å; V111-C254 PolarHBondContact O-N 3.13Å
112V98.4Very high88.6Confident3 Ų365.6 Ų65.62%0.01832%0.324CS..EExtended strand (participates in β ladder)trans-105.4116.7177.9-175.40000109.3V82 I83 G85 L110 C254 G256 V258 V286V82-V112 HydrophobicContact CG1-CG2 4.04Å; I83-V112 PolarHBondContact O-N 3.02Å; G85-V112 WeakPolarHBondContact CA-O 3.33Å; G85-V112 PolarHBondContact N-O 2.91Å; L110-V112 HydrophobicContact CD2-CG2 3.9Å; L110-V112 HydrophobicContact CG-CG2 3.94Å; V112-C254 WeakPolarHBondContact CA-O 3.24Å; V112-C254 HydrophobicContact CG2-CB 4.45Å; V112-G256 WeakPolarHBondContact CG1-O 2.93Å; V112-V258 HydrophobicContact CB-CG2 4.22Å; V112-V258 HydrophobicContact CG1-CG2 3.88Å; V112-V286 HydrophobicContact CG1-CG1 4Å; V112-V286 HydrophobicContact CG1-CG2 4.39Å; V112-V286 HydrophobicContact CG2-CG2 4.23Å
113E97.4Very high89.8Confident16 Ų1658.8 Ų58.88%0.07530%0.296CS..EExtended strand (participates in β ladder)trans-117132.5175.7175.948.6-116.600110.1G86 D115 Y118 C254 F255 G256G86-E113 VanDerWaalsContact CA-OE2 3.25Å; G86-E113 WeakPolarHBondContact CA-OE2 3.42Å; G86-E113 PolarHBondContact N-OE2 2.76Å; E113-D115 WeakPolarHBondContact CG-O 3.49Å; E113-D115 PolarHBondContact OE1-N 3.38Å; E113-Y118 HydrophobicContact CG-CE1 3.8Å; E113-C254 PolarHBondContact N-O 2.66Å; E113-F255 HydrophobicContact CB-CD1 3.97Å; E113-F255 HydrophobicContact CB-CE1 4.09Å; E113-F255 HydrophobicContact CG-CD1 4.17Å; E113-F255 HydrophobicContact CG-CE1 4.11Å; E113-F255 CarbonylContact O-C 3.23Å; E113-F255 WeakPolarHBondContact O-CA 3.14Å; E113-G256 CarbonylContact C-O 3.59Å; E113-G256 PolarHBondContact O-N 2.95Å
114R95.3Very high91.7Very high76 Ų7652.4 Ų52.429%0.28727%0.271SS..SBendtrans-80.4-30.7-177.868.7179.3-171.5-174.63.8112.9G256 E257 F309R114-G256 VanDerWaalsContact CA-O 3.32Å; R114-G256 WeakPolarHBondContact CA-O 3.48Å; R114-G256 PolarHBondContact N-O 2.95Å; R114-E257 HydrophobicContact CB-CB 4.22Å; R114-F309 VanDerWaalsContact CZ-CE2 3.49Å
115D94.5Very high93.7Very high16 Ų1650 Ų509%0.08625%0.252CS..  trans-109.3104.5-175.9-179.75.2000111.1E113 T117 Y118 S119 Q120E113-D115 WeakPolarHBondContact CG-O 3.49Å; E113-D115 PolarHBondContact OE1-N 3.38Å; D115-T117 PolarHBondContact O-N 3.32Å; D115-T117 WeakPolarHBondContact OD1-CB 3.46Å; D115-T117 PolarHBondContact OD1-N 3.42Å; D115-T117 PolarHBondContact OD1-OG1 3.16Å; D115-T117 PolarHBondContact OD2-OG1 3.48Å; D115-Y118 PolarHBondContact O-N 3.28Å; D115-Y118 PolarHBondContact OD1-N 3Å; D115-Y118 VanDerWaalsContact OD2-C 3.26Å; D115-Y118 WeakPolarHBondContact OD2-CA 3.16Å; D115-Y118 PolarHBondContact OD2-N 2.91Å; D115-S119 PolarHBondContact OD2-N 3.47Å; D115-S119 PolarHBondContact OD2-OG 2.75Å; D115-Q120 PolarHBondContact OD2-N 2.82Å
116P92.8Very high95.1Very high57 Ų5742.1 Ų42.137%0.3722%0.222SC..THydrogen-bonded Turntrans-66.6-19.6179.929.1-35.6000113.9F255 L289P116-F255 VanDerWaalsContact CA-CE1 3.45Å; P116-F255 HydrophobicContact CB-CB 4.4Å; P116-F255 HydrophobicContact CB-CD1 3.8Å; P116-F255 HydrophobicContact CB-CD2 4.09Å; P116-F255 HydrophobicContact CB-CE1 3.99Å; P116-F255 HydrophobicContact CB-CE2 4.24Å; P116-F255 HydrophobicContact CB-CG 3.84Å; P116-F255 HydrophobicContact CB-CZ 4.17Å; P116-L289 HydrophobicContact CB-CD1 4.48Å; P116-L289 HydrophobicContact CG-CD1 3.81Å
117T94.9Very high95.7Very high90 Ų9035.1 Ų35.155%0.55219%0.194SC*.THydrogen-bonded Turntrans-90.1-15.8179.470.40000112.7D115 S119D115-T117 PolarHBondContact O-N 3.32Å; D115-T117 WeakPolarHBondContact OD1-CB 3.46Å; D115-T117 PolarHBondContact OD1-N 3.42Å; D115-T117 PolarHBondContact OD1-OG1 3.16Å; D115-T117 PolarHBondContact OD2-OG1 3.48Å; T117-S119 PolarHBondContact O-N 3.43Å; T117-S119 VanDerWaalsContact O-N 3.09Å; T117-S119 VanDerWaalsContact OG1-CB 3.29Å; T117-S119 WeakPolarHBondContact OG1-CB 3.12Å; T117-S119 PolarHBondContact OG1-N 2.93Å; T117-S119 PolarHBondContact OG1-OG 3.19Å
118Y96.2Very high95.8Very high0 Ų033.9 Ų33.90%019%0.187CC..  trans57.88.6-169.3-69-85.6000115.3G86 W91 E113 D115 Q120 A121 V124 W236 L239 R243 F255G86-Y118 WeakPolarHBondContact O-CE1 3.35Å; G86-Y118 PolarHBondContact O-OH 2.86Å; W91-Y118 PolarHBondContact NE1-OH 3.41Å; E113-Y118 HydrophobicContact CG-CE1 3.8Å; D115-Y118 PolarHBondContact O-N 3.28Å; D115-Y118 PolarHBondContact OD1-N 3Å; D115-Y118 VanDerWaalsContact OD2-C 3.26Å; D115-Y118 WeakPolarHBondContact OD2-CA 3.16Å; D115-Y118 PolarHBondContact OD2-N 2.91Å; Y118-Q120 PolarHBondContact O-N 3.08Å; Y118-A121 HydrophobicContact CD1-CB 3.88Å; Y118-A121 WeakPolarHBondContact O-CB 3.47Å; Y118-A121 PolarHBondContact O-N 3.38Å; Y118-V124 WeakPolarHBondContact O-CG2 3.27Å; Y118-W236 HydrophobicContact CD2-CH2 4.24Å; Y118-W236 AromaticContact CD2-CZ3 3.98Å; Y118-W236 HydrophobicContact CD2-CZ3 3.98Å; Y118-W236 HydrophobicContact CG-CZ3 4.02Å; Y118-L239 HydrophobicContact CD1-CD2 3.74Å; Y118-L239 HydrophobicContact CE1-CD1 4.45Å; Y118-L239 HydrophobicContact CE1-CD2 3.95Å; Y118-L239 HydrophobicContact CG-CD2 4.07Å; Y118-R243 VanDerWaalsContact CE2-NH1 3.34Å; Y118-F255 HydrophobicContact CE2-CE1 4.3Å
119S94.6Very high95.9Very high69 Ų6929.5 Ų29.548%0.48318%0.175SC..THydrogen-bonded Turntrans-56.8-24.2-177.362.50000114.3D115 T117D115-S119 PolarHBondContact OD2-N 3.47Å; D115-S119 PolarHBondContact OD2-OG 2.75Å; T117-S119 PolarHBondContact O-N 3.43Å; T117-S119 VanDerWaalsContact O-N 3.09Å; T117-S119 VanDerWaalsContact OG1-CB 3.29Å; T117-S119 WeakPolarHBondContact OG1-CB 3.12Å; T117-S119 PolarHBondContact OG1-N 2.93Å; T117-S119 PolarHBondContact OG1-OG 3.19Å
120Q93.4Very high95.9Very high97 Ų9729.7 Ų29.745%0.45318%0.175SC..THydrogen-bonded Turntrans-105.93.3177.9-58.9-174.349.500113.7D115 Y118 S122 L391D115-Q120 PolarHBondContact OD2-N 2.82Å; Y118-Q120 PolarHBondContact O-N 3.08Å; Q120-S122 PolarHBondContact O-N 3.44Å; Q120-L391 HydrophobicContact CB-CD1 4.1Å; Q120-L391 HydrophobicContact CG-CD1 4.08Å
121A95.1Very high95.8Very high15 Ų1530.6 Ų30.612%0.12418%0.179CC..  trans-77.4125.6-176.200000111Y118 T123 V124 L125Y118-A121 HydrophobicContact CD1-CB 3.88Å; Y118-A121 WeakPolarHBondContact O-CB 3.47Å; Y118-A121 PolarHBondContact O-N 3.38Å; A121-T123 PolarHBondContact O-N 3.18Å; A121-V124 HydrophobicContact CB-CG2 4.46Å; A121-V124 WeakPolarHBondContact O-CG2 3.47Å; A121-V124 PolarHBondContact O-N 3.32Å; A121-L125 WeakPolarHBondContact O-CG 3.49Å; A121-L125 PolarHBondContact O-N 2.94Å
122S96.1Very high95.7Very high43 Ų4330.6 Ų30.630%0.30118%0.179SC..THydrogen-bonded Turntrans-51.8-30.8174.9-54.40000113.2Q120 S126 F425Q120-S122 PolarHBondContact O-N 3.44Å; S122-S126 PolarHBondContact O-N 2.91Å; S122-F425 WeakPolarHBondContact CB-O 3.15Å; S122-F425 PolarHBondContact OG-O 2.84Å
123T96Very high95.7Very high16 Ų1630.7 Ų30.710%0.09818%0.179CC..THydrogen-bonded Turntrans-54.7-54173.9-61.90000112V88 A121 S126 P235 L239 L457V88-T123 HydrophobicContact CB-CG2 3.7Å; V88-T123 HydrophobicContact CG1-CG2 3.95Å; V88-T123 PolarHBondContact N-OG1 3.5Å; V88-T123 VanDerWaalsContact N-OG1 3.15Å; A121-T123 PolarHBondContact O-N 3.18Å; T123-S126 WeakPolarHBondContact O-CB 3.39Å; T123-P235 WeakPolarHBondContact O-CB 3.28Å; T123-L239 HydrophobicContact CG2-CB 3.95Å; T123-L239 HydrophobicContact CG2-CD1 4.47Å; T123-L239 HydrophobicContact CG2-CD2 4.12Å; T123-L239 HydrophobicContact CG2-CG 4.41Å; T123-L457 HydrophobicContact CG2-CD1 4.11Å
124V95.1Very high95.7Very high40 Ų4029.9 Ų29.924%0.24218%0.175CC..THydrogen-bonded Turntrans-82.4-22.8-172.7-490000112.5Y118 A121 S126 W236 L239Y118-V124 WeakPolarHBondContact O-CG2 3.27Å; A121-V124 HydrophobicContact CB-CG2 4.46Å; A121-V124 WeakPolarHBondContact O-CG2 3.47Å; A121-V124 PolarHBondContact O-N 3.32Å; V124-S126 PolarHBondContact O-N 3Å; V124-W236 HydrophobicContact CG1-CE3 3.58Å; V124-W236 HydrophobicContact CG1-CZ3 4.05Å; V124-L239 HydrophobicContact CG1-CD2 3.86Å
125L96.6Very high95.8Very high28 Ų2827 Ų2715%0.14717%0.167CC..THydrogen-bonded Turntrans-85.13.5177.4-60.3168.8000112.3A121 L391 W422 A423A121-L125 WeakPolarHBondContact O-CG 3.49Å; A121-L125 PolarHBondContact O-N 2.94Å; L125-L391 HydrophobicContact CD1-CD1 4.08Å; L125-W422 HydrophobicContact CD2-CG 4.25Å; L125-W422 PolarHBondContact O-NE1 2.77Å; L125-A423 WeakPolarHBondContact CD1-O 3.07Å
126S96Very high95.9Very high30 Ų3027.9 Ų27.921%0.2117%0.171CC..SBendtrans-75.4150.8177.8-177.70000112.1S122 T123 V124 G128 L457S122-S126 PolarHBondContact O-N 2.91Å; T123-S126 WeakPolarHBondContact O-CB 3.39Å; V124-S126 PolarHBondContact O-N 3Å; S126-G128 PolarHBondContact O-N 3.16Å; S126-G128 PolarHBondContact OG-N 2.97Å; S126-G128 VanDerWaalsContact OG-N 3.12Å; S126-L457 WeakPolarHBondContact OG-CD2 3.24Å
127A94.8Very high96.1Very high12 Ų1229 Ų2910%0.09917%0.174CC..  trans-69.4-8.1168.200000113.5F356 Y364 R366 I375A127-F356 HydrophobicContact CB-CE1 4.3Å; A127-F356 HydrophobicContact CB-CZ 4.1Å; A127-Y364 HydrophobicContact CB-CE2 4.31Å; A127-R366 VanDerWaalsContact O-CZ 3.3Å; A127-R366 PolarHBondContact O-NE 2.93Å; A127-R366 PolarHBondContact O-NH2 3.17Å; A127-I375 HydrophobicContact CB-CG2 4.05Å
128G95.3Very high96.2Very high0 Ų027 Ų270%016%0.158CC..  trans80.818.3171.200000115.9S126 W232 F233S126-G128 PolarHBondContact O-N 3.16Å; S126-G128 PolarHBondContact OG-N 2.97Å; S126-G128 VanDerWaalsContact OG-N 3.12Å; G128-W232 CarbonylContact O-C 3.49Å; G128-W232 WeakPolarHBondContact O-CA 3.41Å; G128-W232 VanDerWaalsContact O-CB 3.28Å; G128-W232 WeakPolarHBondContact O-CB 3.17Å; G128-F233 WeakPolarHBondContact CA-O 3.3Å; G128-F233 WeakPolarHBondContact O-CD1 3.28Å; G128-F233 PolarHBondContact O-N 3.33Å
129G96.3Very high96.3Very high12 Ų1227.1 Ų27.112%0.12416%0.159CC..EExtended strand (participates in β ladder)trans-69.5144.2-177.800000115.3Y174G129-Y174 WeakPolarHBondContact CA-OH 3.42Å
130I97.1Very high96.4Very high3 Ų323.8 Ų23.82%0.01514%0.136CC..EExtended strand (participates in β ladder)trans-132.6130.3166-177.9179.6000110.7A147 M150 F169 Y174 E230 G231 F233 Q458I130-A147 HydrophobicContact CD1-CB 3.59Å; I130-M150 HydrophobicContact CD1-CE 3.23Å; I130-M150 HydrophobicContact CG1-CE 4.25Å; I130-F169 HydrophobicContact CG2-CD2 4.5Å; I130-F169 HydrophobicContact CG2-CE2 3.56Å; I130-F169 HydrophobicContact CG2-CZ 4.26Å; I130-Y174 WeakPolarHBondContact O-CD2 3.29Å; I130-Y174 WeakPolarHBondContact O-CE2 3.5Å; I130-E230 VanDerWaalsContact O-CA 3.29Å; I130-E230 WeakPolarHBondContact O-CA 3.4Å; I130-G231 WeakPolarHBondContact CG2-O 3.24Å; I130-G231 PolarHBondContact N-O 3.49Å; I130-G231 PolarHBondContact O-N 3.47Å; I130-F233 HydrophobicContact CB-CD1 4.42Å; I130-F233 HydrophobicContact CB-CE1 4.12Å; I130-F233 HydrophobicContact CG2-CD1 4.2Å; I130-F233 HydrophobicContact CG2-CE1 4.39Å; I130-Q458 HydrophobicContact CB-CB 4.17Å; I130-Q458 HydrophobicContact CG1-CB 4.13Å
131R97.1Very high96.7Very high20 Ų2022.3 Ų22.38%0.07513%0.129CC..  trans-148.6159.5-179.868.7-177.8-172.4-146.22.1111.5F134 S143 Y174 F176 Q458 V501R131-F134 HydrophobicContact CG-CE2 3.9Å; R131-F134 HydrophobicContact CG-CZ 4.21Å; R131-F134 WeakPolarHBondContact O-CE2 3.29Å; R131-S143 WeakPolarHBondContact O-CB 3.24Å; R131-S143 PolarHBondContact O-OG 2.88Å; R131-Y174 HydrophobicContact CB-CD1 4.33Å; R131-Y174 HydrophobicContact CB-CD2 3.89Å; R131-Y174 HydrophobicContact CB-CE2 4.2Å; R131-Y174 HydrophobicContact CB-CG 3.94Å; R131-F176 VanDerWaalsContact NH1-CZ 3.34Å; R131-Q458 PolarHBondContact O-OE1 2.89Å; R131-V501 PolarHBondContact NH1-O 2.88Å; R131-V501 PolarHBondContact NH2-O 3.18Å
132Q96.8Very high96.8Very high0 Ų021.6 Ų21.60%012%0.123CC..  trans-113.1-2.7169.5-62.580.260.600112F134 L144 A198 E228 N229 E230Q132-F134 VanDerWaalsContact C-N 3.25Å; Q132-F134 PolarHBondContact O-N 2.91Å; Q132-L144 HydrophobicContact CG-CD2 3.74Å; Q132-L144 HydrophobicContact CG-CG 3.85Å; Q132-A198 HydrophobicContact CB-CB 3.85Å; Q132-E228 PolarHBondContact OE1-O 3.37Å; Q132-N229 PolarHBondContact NE2-O 3.34Å; Q132-N229 VanDerWaalsContact OE1-CB 3.3Å; Q132-E230 PolarHBondContact N-OE1 3.35Å
133Q97.4Very high96.9Very high4 Ų419.6 Ų19.62%0.01911%0.109CC..  trans-71.174.9178.1-68.8179.376.900112.2Y174 F176 V200 S224 E230 I500Q133-Y174 PolarHBondContact NE2-O 2.88Å; Q133-F176 HydrophobicContact CB-CD2 4.18Å; Q133-F176 HydrophobicContact CB-CE2 3.89Å; Q133-V200 HydrophobicContact CG-CG1 3.66Å; Q133-S224 PolarHBondContact OE1-O 3.28Å; Q133-S224 PolarHBondContact OE1-OG 2.82Å; Q133-E230 WeakPolarHBondContact CG-OE1 3.37Å; Q133-E230 PolarHBondContact N-OE1 3.12Å; Q133-E230 PolarHBondContact NE2-OE2 2.66Å; Q133-I500 WeakPolarHBondContact O-CD1 3.2Å
134F97.8Very high97.1Very high0 Ų020.3 Ų20.30%011%0.112CC..  trans-119.9173.1171.4-67.4-86.4000109.8R131 Q132 N139 I140 S143 Q193 H455 I500R131-F134 HydrophobicContact CG-CE2 3.9Å; R131-F134 HydrophobicContact CG-CZ 4.21Å; R131-F134 WeakPolarHBondContact O-CE2 3.29Å; Q132-F134 VanDerWaalsContact C-N 3.25Å; Q132-F134 PolarHBondContact O-N 2.91Å; F134-N139 HydrophobicContact CB-CB 3.91Å; F134-N139 HydrophobicContact CD1-CB 3.87Å; F134-N139 HydrophobicContact CD2-CB 4.12Å; F134-N139 HydrophobicContact CE1-CB 4.39Å; F134-N139 HydrophobicContact CG-CB 3.71Å; F134-I140 HydrophobicContact CB-CG1 3.8Å; F134-S143 WeakPolarHBondContact CE2-OG 3.09Å; F134-Q193 VanDerWaalsContact O-CG 3.26Å; F134-Q193 WeakPolarHBondContact O-CG 3.32Å; F134-Q193 PolarHBondContact O-NE2 3.34Å; F134-H455 HydrophobicContact CE1-CB 4.35Å; F134-H455 HydrophobicContact CZ-CB 4.03Å; F134-I500 HydrophobicContact CD1-CG2 4.06Å; F134-I500 HydrophobicContact CE1-CG2 4.24Å
135S97.2Very high97.2Very high16 Ų1621.9 Ų21.911%0.11212%0.116CC..SBendtrans-105.2-2717571.50000112.9N189 E497 Q498S135-N189 WeakPolarHBondContact CB-OD1 3.44Å; S135-E497 WeakPolarHBondContact CA-OE2 3.43Å; S135-E497 VanDerWaalsContact CB-OE2 3.29Å; S135-E497 WeakPolarHBondContact CB-OE2 3.44Å; S135-E497 PolarHBondContact N-OE2 3.21Å; S135-E497 WeakPolarHBondContact OG-CA 3.34Å; S135-E497 PolarHBondContact OG-OE2 2.84Å; S135-Q498 PolarHBondContact OG-N 2.91Å
136L97.1Very high97.3Very high33 Ų3320.5 Ų20.517%0.17311%0.109CC..SBendtrans-88.5133.8176.5-59.3174.5000111.5E138 N139 I140 M495 E497L136-E138 VanDerWaalsContact C-N 3.27Å; L136-E138 PolarHBondContact O-N 3.18Å; L136-N139 PolarHBondContact O-N 3.35Å; L136-I140 WeakPolarHBondContact O-CG1 3.34Å; L136-I140 PolarHBondContact O-N 2.75Å; L136-I140 VanDerWaalsContact O-N 3.13Å; L136-M495 HydrophobicContact CD1-CB 4.02Å; L136-M495 HydrophobicContact CD1-CE 4.38Å; L136-E497 WeakPolarHBondContact CB-OE1 3.37Å; L136-E497 HydrophobicContact CD1-CG 4.09Å; L136-E497 HydrophobicContact CG-CG 4.34Å; L136-E497 PolarHBondContact N-OE1 3.43Å; L136-E497 PolarHBondContact N-OE2 2.98Å
137L97.1Very high97.4Very high82 Ų8219.3 Ų19.343%0.42910%0.101SC..Hα-helixtrans-60.7-36.5-177-70.7176.7000112.4N139 I140 H141 T192 A196L137-N139 VanDerWaalsContact C-N 3.34Å; L137-N139 PolarHBondContact O-N 2.86Å; L137-I140 HydrophobicContact CD2-CD1 4.45Å; L137-I140 PolarHBondContact O-N 3.4Å; L137-H141 WeakPolarHBondContact O-CB 3.48Å; L137-H141 VanDerWaalsContact O-CG 3.25Å; L137-H141 PolarHBondContact O-N 2.72Å; L137-H141 PolarHBondContact O-ND1 3.17Å; L137-T192 HydrophobicContact CD2-CG2 3.74Å; L137-T192 HydrophobicContact CG-CG2 4.39Å; L137-A196 HydrophobicContact CD2-CB 3.96Å
138E97.1Very high97.5Very high48 Ų4822.5 Ų22.522%0.22412%0.117CC..Hα-helixtrans-58.2-46.4178.2-65.784.2167.600111.1L136 L142 L481 L484 M495L136-E138 VanDerWaalsContact C-N 3.27Å; L136-E138 PolarHBondContact O-N 3.18Å; E138-L142 VanDerWaalsContact O-CB 3.27Å; E138-L142 WeakPolarHBondContact O-CB 3.48Å; E138-L142 VanDerWaalsContact O-CG 3.24Å; E138-L142 WeakPolarHBondContact O-CG 3.37Å; E138-L142 PolarHBondContact O-N 2.93Å; E138-L481 HydrophobicContact CB-CD2 4.18Å; E138-L481 HydrophobicContact CG-CD2 4.36Å; E138-L484 HydrophobicContact CB-CD1 4.49Å; E138-M495 HydrophobicContact CG-CE 4.28Å; E138-M495 WeakPolarHBondContact OE1-CE 3.4Å
139N97.9Very high97.7Very high1 Ų123 Ų231%0.00512%0.119CC..Hα-helixtrans-72.2-35.7179.7-73.2-37.1000112.6F134 L136 L137 S143 N434 Q459 E497F134-N139 HydrophobicContact CB-CB 3.91Å; F134-N139 HydrophobicContact CD1-CB 3.87Å; F134-N139 HydrophobicContact CD2-CB 4.12Å; F134-N139 HydrophobicContact CE1-CB 4.39Å; F134-N139 HydrophobicContact CG-CB 3.71Å; L136-N139 PolarHBondContact O-N 3.35Å; L137-N139 VanDerWaalsContact C-N 3.34Å; L137-N139 PolarHBondContact O-N 2.86Å; N139-S143 WeakPolarHBondContact O-CB 3.16Å; N139-S143 PolarHBondContact O-N 3.45Å; N139-S143 VanDerWaalsContact O-N 3.09Å; N139-S143 PolarHBondContact O-OG 3.06Å; N139-N434 PolarHBondContact ND2-OD1 3.36Å; N139-Q459 PolarHBondContact OD1-NE2 3.12Å; N139-E497 PolarHBondContact ND2-OE1 3.44Å
140I98.3Very high97.7Very high0 Ų023.2 Ų23.20%012%0.116CC..Hα-helixtrans-63.4-50.1174.8-58.9163.5000109.7F134 L136 L137 S143 L144 T192 Q193 A196F134-I140 HydrophobicContact CB-CG1 3.8Å; L136-I140 WeakPolarHBondContact O-CG1 3.34Å; L136-I140 PolarHBondContact O-N 2.75Å; L136-I140 VanDerWaalsContact O-N 3.13Å; L137-I140 HydrophobicContact CD2-CD1 4.45Å; L137-I140 PolarHBondContact O-N 3.4Å; I140-S143 PolarHBondContact O-N 2.74Å; I140-L144 HydrophobicContact CG2-CD1 3.86Å; I140-L144 HydrophobicContact CG2-CG 4.43Å; I140-L144 WeakPolarHBondContact O-CG 3.18Å; I140-L144 PolarHBondContact O-N 3.02Å; I140-T192 HydrophobicContact CD1-CG2 3.85Å; I140-Q193 HydrophobicContact CD1-CG 4.09Å; I140-A196 HydrophobicContact CB-CB 4.26Å; I140-A196 HydrophobicContact CD1-CB 4.35Å; I140-A196 HydrophobicContact CG2-CB 3.59Å
141H98.4Very high97.7Very high66 Ų6629.3 Ų29.331%0.30614%0.139SC..Hα-helixtrans-66.9-41.8-179.4-64.9149.1000112.7L137 S143 L144 E145 L479L137-H141 WeakPolarHBondContact O-CB 3.48Å; L137-H141 VanDerWaalsContact O-CG 3.25Å; L137-H141 PolarHBondContact O-N 2.72Å; L137-H141 PolarHBondContact O-ND1 3.17Å; H141-S143 PolarHBondContact O-N 2.9Å; H141-L144 PolarHBondContact O-N 3.34Å; H141-E145 WeakPolarHBondContact O-CB 3.2Å; H141-E145 WeakPolarHBondContact O-CG 3.32Å; H141-E145 PolarHBondContact O-N 2.77Å; H141-L479 HydrophobicContact CB-CD1 4.17Å; H141-L479 HydrophobicContact CB-CD2 3.88Å
142L98.4Very high97.7Very high0 Ų030.5 Ų30.50%015%0.147CC..Hα-helixtrans-55.5-41.8173.2-83.4172.8000111.7E138 S146 Q459 A462 V463 L479 L481 L484E138-L142 VanDerWaalsContact O-CB 3.27Å; E138-L142 WeakPolarHBondContact O-CB 3.48Å; E138-L142 VanDerWaalsContact O-CG 3.24Å; E138-L142 WeakPolarHBondContact O-CG 3.37Å; E138-L142 PolarHBondContact O-N 2.93Å; L142-S146 VanDerWaalsContact O-CB 3.26Å; L142-S146 WeakPolarHBondContact O-CB 3.18Å; L142-S146 PolarHBondContact O-N 2.86Å; L142-S146 PolarHBondContact O-OG 3.32Å; L142-Q459 HydrophobicContact CB-CB 4.36Å; L142-Q459 HydrophobicContact CB-CG 4.02Å; L142-A462 HydrophobicContact CD2-CB 3.6Å; L142-A462 WeakPolarHBondContact O-CB 3.42Å; L142-V463 HydrophobicContact CD1-CG2 4.26Å; L142-V463 HydrophobicContact CD2-CG2 3.84Å; L142-L479 HydrophobicContact CD2-CD1 4.07Å; L142-L479 HydrophobicContact CG-CD1 4.35Å; L142-L481 HydrophobicContact CD1-CD1 4.43Å; L142-L481 HydrophobicContact CD1-CD2 4.17Å; L142-L481 HydrophobicContact CD2-CD1 3.72Å; L142-L481 HydrophobicContact CD2-CD2 4.27Å; L142-L481 HydrophobicContact CG-CD1 4.3Å; L142-L481 HydrophobicContact CG-CD2 4Å; L142-L484 HydrophobicContact CD1-CD1 3.87Å
143S98.1Very high97.7Very high0 Ų030.9 Ų30.90%015%0.149CC..Hα-helixtrans-75.4-36.2-178.1-52.30000112.2R131 F134 N139 I140 H141 A147R131-S143 WeakPolarHBondContact O-CB 3.24Å; R131-S143 PolarHBondContact O-OG 2.88Å; F134-S143 WeakPolarHBondContact CE2-OG 3.09Å; N139-S143 WeakPolarHBondContact O-CB 3.16Å; N139-S143 PolarHBondContact O-N 3.45Å; N139-S143 VanDerWaalsContact O-N 3.09Å; N139-S143 PolarHBondContact O-OG 3.06Å; I140-S143 PolarHBondContact O-N 2.74Å; H141-S143 PolarHBondContact O-N 2.9Å; S143-A147 VanDerWaalsContact O-CB 3.28Å; S143-A147 WeakPolarHBondContact O-CB 3.43Å; S143-A147 PolarHBondContact O-N 2.69Å
144L98.3Very high97.8Very high31 Ų3133.6 Ų33.616%0.16216%0.164CC..Hα-helixtrans-63.1-50.6173.2-76.8166.4000111.8Q132 I140 H141 S146 A147 D148 A196Q132-L144 HydrophobicContact CG-CD2 3.74Å; Q132-L144 HydrophobicContact CG-CG 3.85Å; I140-L144 HydrophobicContact CG2-CD1 3.86Å; I140-L144 HydrophobicContact CG2-CG 4.43Å; I140-L144 WeakPolarHBondContact O-CG 3.18Å; I140-L144 PolarHBondContact O-N 3.02Å; H141-L144 PolarHBondContact O-N 3.34Å; L144-S146 VanDerWaalsContact C-N 3.29Å; L144-S146 PolarHBondContact O-N 2.98Å; L144-A147 PolarHBondContact O-N 3.33Å; L144-D148 PolarHBondContact O-N 3.29Å; L144-A196 VanDerWaalsContact CD1-O 3.25Å; L144-A196 WeakPolarHBondContact CD1-O 3.43Å
145E98.3Very high97.8Very high73 Ų7340.8 Ų40.834%0.34120%0.197SC..Hα-helixtrans-61.3-39.5177.7-72.9-67.3135.900111.5H141 D148 F149 A462 L479H141-E145 WeakPolarHBondContact O-CB 3.2Å; H141-E145 WeakPolarHBondContact O-CG 3.32Å; H141-E145 PolarHBondContact O-N 2.77Å; E145-D148 PolarHBondContact O-N 2.9Å; E145-F149 WeakPolarHBondContact O-CB 3.35Å; E145-F149 PolarHBondContact O-N 3.07Å; E145-A462 HydrophobicContact CB-CB 3.85Å; E145-L479 HydrophobicContact CB-CD1 4.45Å; E145-L479 HydrophobicContact CG-CD1 3.83Å; E145-L479 HydrophobicContact CG-CD2 4.11Å; E145-L479 HydrophobicContact CG-CG 4.15Å
146S98.4Very high97.8Very high0 Ų042.1 Ų42.10%020%0.202CC..Hα-helixtrans-71.8-34.9178.8-58.80000112.8L142 L144 F149 M150 Q458 Q459 A462L142-S146 VanDerWaalsContact O-CB 3.26Å; L142-S146 WeakPolarHBondContact O-CB 3.18Å; L142-S146 PolarHBondContact O-N 2.86Å; L142-S146 PolarHBondContact O-OG 3.32Å; L144-S146 VanDerWaalsContact C-N 3.29Å; L144-S146 PolarHBondContact O-N 2.98Å; S146-F149 PolarHBondContact O-N 3.45Å; S146-M150 WeakPolarHBondContact O-CB 3.32Å; S146-M150 VanDerWaalsContact O-CE 3.28Å; S146-M150 WeakPolarHBondContact O-CE 3.48Å; S146-M150 WeakPolarHBondContact O-CG 3.33Å; S146-M150 PolarHBondContact O-N 3.37Å; S146-Q458 WeakPolarHBondContact CB-O 3.49Å; S146-Q458 PolarHBondContact OG-O 2.9Å; S146-Q459 PolarHBondContact OG-O 2.9Å; S146-A462 VanDerWaalsContact OG-CB 3.23Å; S146-A462 WeakPolarHBondContact OG-CB 3.25Å; S146-A462 PolarHBondContact OG-N 3.43Å; S146-A462 VanDerWaalsContact OG-N 3.16Å
147A97.9Very high97.9Very high4 Ų440.7 Ų40.73%0.03319%0.194CC..Hα-helixtrans-65.5-41.9173.700000111.8I130 S143 L144 M150 R151 N229I130-A147 HydrophobicContact CD1-CB 3.59Å; S143-A147 VanDerWaalsContact O-CB 3.28Å; S143-A147 WeakPolarHBondContact O-CB 3.43Å; S143-A147 PolarHBondContact O-N 2.69Å; L144-A147 PolarHBondContact O-N 3.33Å; A147-M150 PolarHBondContact O-N 3.46Å; A147-R151 WeakPolarHBondContact O-CB 3.5Å; A147-R151 PolarHBondContact O-N 3.45Å; A147-N229 HydrophobicContact CB-CB 3.63Å
148D97.6Very high97.9Very high80 Ų8039 Ų3943%0.42819%0.19SC..Hα-helixtrans-62.6-45.5174.3-174.267.7000111.5L144 E145 M150 R151 N152L144-D148 PolarHBondContact O-N 3.29Å; E145-D148 PolarHBondContact O-N 2.9Å; D148-M150 VanDerWaalsContact C-N 3.32Å; D148-M150 PolarHBondContact O-N 3.42Å; D148-R151 WeakPolarHBondContact O-CB 3.42Å; D148-R151 PolarHBondContact O-N 3.44Å; D148-N152 PolarHBondContact O-N 3.34Å; D148-N152 PolarHBondContact O-ND2 3.36Å; D148-N152 PolarHBondContact OD1-ND2 2.95Å; D148-N152 PolarHBondContact OD2-ND2 3.02Å
149F98.4Very high97.9Very high10 Ų1038 Ų384%0.04419%0.186CC..Hα-helixtrans-55.8-45.7173.9-178.7-82.8000112.3Y95 W96 E145 S146 N152 I153 H156 L157 F242 P461Y95-F149 AromaticContact CE1-CE2 3.88Å; Y95-F149 HydrophobicContact CE1-CE2 3.88Å; Y95-F149 AromaticContact CE1-CZ 3.97Å; Y95-F149 HydrophobicContact CE1-CZ 3.97Å; W96-F149 AromaticContact CZ2-CD2 3.83Å; W96-F149 HydrophobicContact CZ2-CD2 3.83Å; W96-F149 AromaticContact CZ2-CE2 3.67Å; W96-F149 HydrophobicContact CZ2-CE2 3.67Å; E145-F149 WeakPolarHBondContact O-CB 3.35Å; E145-F149 PolarHBondContact O-N 3.07Å; S146-F149 PolarHBondContact O-N 3.45Å; F149-N152 CarbonylContact O-C 3.6Å; F149-N152 VanDerWaalsContact O-C 3.27Å; F149-N152 PolarHBondContact O-N 2.9Å; F149-I153 VanDerWaalsContact O-CA 3.32Å; F149-I153 WeakPolarHBondContact O-CA 3.35Å; F149-I153 PolarHBondContact O-N 3.44Å; F149-H156 HydrophobicContact CD2-CB 4.29Å; F149-H156 AromaticContact CD2-CD2 3.33Å; F149-H156 WeakPolarHBondContact CD2-CD2 3.28Å; F149-H156 AromaticContact CD2-CG 3.74Å; F149-H156 AromaticContact CD2-NE2 3.72Å; F149-H156 HydrophobicContact CE1-CB 4.31Å; F149-H156 HydrophobicContact CE2-CB 3.5Å; F149-H156 AromaticContact CE2-CD2 3.48Å; F149-H156 VanDerWaalsContact CE2-CD2 3.48Å; F149-H156 WeakPolarHBondContact CE2-CD2 3.38Å; F149-H156 AromaticContact CE2-CG 3.38Å; F149-H156 AromaticContact CG-CD2 3.81Å; F149-H156 HydrophobicContact CZ-CB 3.51Å; F149-H156 AromaticContact CZ-CG 3.9Å; F149-L157 HydrophobicContact CE1-CD1 3.82Å; F149-L157 HydrophobicContact CE1-CG 4.05Å; F149-L157 HydrophobicContact CZ-CD1 4.05Å; F149-L157 HydrophobicContact CZ-CD2 3.95Å; F149-L157 HydrophobicContact CZ-CG 3.84Å; F149-F242 HydrophobicContact CD1-CZ 4.3Å; F149-F242 AromaticContact CE1-CE1 3.87Å; F149-F242 HydrophobicContact CE1-CE1 3.87Å; F149-F242 HydrophobicContact CE1-CE2 4.3Å; F149-F242 AromaticContact CE1-CZ 3.47Å; F149-F242 HydrophobicContact CE1-CZ 3.47Å; F149-F242 VanDerWaalsContact CE1-CZ 3.47Å; F149-F242 AromaticContact CZ-CE1 3.63Å; F149-F242 HydrophobicContact CZ-CE1 3.63Å; F149-F242 AromaticContact CZ-CZ 3.71Å; F149-F242 HydrophobicContact CZ-CZ 3.71Å; F149-P461 HydrophobicContact CB-CB 3.99Å; F149-P461 HydrophobicContact CD1-CB 3.61Å; F149-P461 HydrophobicContact CD1-CG 3.97Å; F149-P461 HydrophobicContact CD2-CB 4.37Å; F149-P461 HydrophobicContact CE1-CB 4.17Å; F149-P461 HydrophobicContact CG-CB 3.72Å; F149-P461 HydrophobicContact CG-CG 4.5Å
150M97.5Very high97.7Very high16 Ų1643.9 Ų43.98%0.07922%0.222CC..Hα-helixtrans-70.3-32.8-179.7-77.2-174.6-80.400112.7I130 S146 A147 D148 N152 I153 L167 F233 L238 P461I130-M150 HydrophobicContact CD1-CE 3.23Å; I130-M150 HydrophobicContact CG1-CE 4.25Å; S146-M150 WeakPolarHBondContact O-CB 3.32Å; S146-M150 VanDerWaalsContact O-CE 3.28Å; S146-M150 WeakPolarHBondContact O-CE 3.48Å; S146-M150 WeakPolarHBondContact O-CG 3.33Å; S146-M150 PolarHBondContact O-N 3.37Å; A147-M150 PolarHBondContact O-N 3.46Å; D148-M150 VanDerWaalsContact C-N 3.32Å; D148-M150 PolarHBondContact O-N 3.42Å; M150-N152 VanDerWaalsContact C-N 3.28Å; M150-N152 PolarHBondContact O-N 3.44Å; M150-I153 VanDerWaalsContact O-CB 3.3Å; M150-I153 WeakPolarHBondContact O-CB 3.28Å; M150-I153 WeakPolarHBondContact O-CG2 3.45Å; M150-I153 PolarHBondContact O-N 3.37Å; M150-L167 HydrophobicContact CB-CD1 3.76Å; M150-L167 HydrophobicContact CG-CD1 3.85Å; M150-L167 HydrophobicContact SD-CD1 4.16Å; M150-F233 HydrophobicContact CE-CE1 4.12Å; M150-F233 HydrophobicContact CE-CZ 4.43Å; M150-F233 HydrophobicContact SD-CD1 4.13Å; M150-F233 HydrophobicContact SD-CE1 3.71Å; M150-F233 HydrophobicContact SD-CE2 4.23Å; M150-F233 HydrophobicContact SD-CZ 3.75Å; M150-L238 HydrophobicContact CG-CD1 4.31Å; M150-L238 HydrophobicContact SD-CD1 4.46Å; M150-L238 HydrophobicContact SD-CD2 4.06Å; M150-P461 HydrophobicContact CG-CG 4.49Å
151R96.1Very high97.4Very high131 Ų13151.8 Ų51.849%0.49426%0.264SS..Hα-helixtrans-63.1-38.5172.2-172.1-175.5-67.1-140.33111.3A147 D148 N229A147-R151 WeakPolarHBondContact O-CB 3.5Å; A147-R151 PolarHBondContact O-N 3.45Å; D148-R151 WeakPolarHBondContact O-CB 3.42Å; D148-R151 PolarHBondContact O-N 3.44Å; R151-N229 PolarHBondContact NE-OD1 3.27Å; R151-N229 PolarHBondContact NH2-OD1 3.4Å
152N97.3Very high97.3Very high46 Ų4652.7 Ų52.725%0.24627%0.269CS..THydrogen-bonded Turntrans-99.325.6179.5-56.7-51.7000112.3D148 F149 M150 N154 E155 H156D148-N152 PolarHBondContact O-N 3.34Å; D148-N152 PolarHBondContact O-ND2 3.36Å; D148-N152 PolarHBondContact OD1-ND2 2.95Å; D148-N152 PolarHBondContact OD2-ND2 3.02Å; F149-N152 CarbonylContact O-C 3.6Å; F149-N152 VanDerWaalsContact O-C 3.27Å; F149-N152 PolarHBondContact O-N 2.9Å; M150-N152 VanDerWaalsContact C-N 3.28Å; M150-N152 PolarHBondContact O-N 3.44Å; N152-N154 PolarHBondContact O-N 2.88Å; N152-E155 HydrophobicContact CB-CG 4.41Å; N152-E155 WeakPolarHBondContact O-CB 3.3Å; N152-E155 PolarHBondContact O-N 2.84Å; N152-H156 PolarHBondContact O-CD2 3.47Å
153I98Very high97.1Very high8 Ų859.4 Ų59.44%0.04131%0.305CS..Hα-helixtrans-57.6-33.6-167.3-169160.3000113.9F149 M150 E155 H156 L157 V165 L167 L238 A241F149-I153 VanDerWaalsContact O-CA 3.32Å; F149-I153 WeakPolarHBondContact O-CA 3.35Å; F149-I153 PolarHBondContact O-N 3.44Å; M150-I153 VanDerWaalsContact O-CB 3.3Å; M150-I153 WeakPolarHBondContact O-CB 3.28Å; M150-I153 WeakPolarHBondContact O-CG2 3.45Å; M150-I153 PolarHBondContact O-N 3.37Å; I153-E155 VanDerWaalsContact C-N 3.31Å; I153-E155 PolarHBondContact O-N 3.27Å; I153-H156 PolarHBondContact O-N 2.94Å; I153-H156 VanDerWaalsContact O-N 3.17Å; I153-L157 HydrophobicContact CD1-CD1 3.97Å; I153-L157 HydrophobicContact CG1-CB 4.08Å; I153-L157 HydrophobicContact CG1-CD1 3.86Å; I153-L157 HydrophobicContact CG1-CG 4.12Å; I153-L157 PolarHBondContact O-N 3.03Å; I153-V165 HydrophobicContact CD1-CG1 3.63Å; I153-V165 HydrophobicContact CG1-CB 4.36Å; I153-V165 HydrophobicContact CG1-CG1 3.99Å; I153-V165 HydrophobicContact CG2-CB 4.3Å; I153-V165 HydrophobicContact CG2-CG1 4.26Å; I153-L167 HydrophobicContact CD1-CD1 3.65Å; I153-L167 HydrophobicContact CD1-CD2 3.54Å; I153-L167 HydrophobicContact CD1-CG 3.65Å; I153-L167 HydrophobicContact CG2-CD1 4.48Å; I153-L238 HydrophobicContact CD1-CD1 3.9Å; I153-A241 HydrophobicContact CD1-CB 4.39Å
154N98.1Very high97.1Very high61 Ų6164 Ų6433%0.32634%0.335SS..Hα-helixtrans-73.4-21.5179.9-79-67.7000113.4N152 H156 S158 P164 V165N152-N154 PolarHBondContact O-N 2.88Å; N154-H156 VanDerWaalsContact C-N 3.28Å; N154-S158 WeakPolarHBondContact O-CB 3.31Å; N154-S158 PolarHBondContact O-OG 3.2Å; N154-P164 WeakPolarHBondContact OD1-CA 3.21Å; N154-P164 WeakPolarHBondContact OD1-CB 3.29Å; N154-V165 PolarHBondContact ND2-O 2.56Å; N154-V165 PolarHBondContact OD1-N 2.85Å
155E97.8Very high97.1Very high150 Ų15063.1 Ų63.170%0.70133%0.331SS*.Hα-helixtrans-71.9-28.6170.7-55.2-172.8171.600111.3N152 I153N152-E155 HydrophobicContact CB-CG 4.41Å; N152-E155 WeakPolarHBondContact O-CB 3.3Å; N152-E155 PolarHBondContact O-N 2.84Å; I153-E155 VanDerWaalsContact C-N 3.31Å; I153-E155 PolarHBondContact O-N 3.27Å
156H97.9Very high97Very high45 Ų4564.2 Ų64.221%0.20834%0.339CS..Hα-helixtrans-95.6-49.5-176.4-60.8-49.6000113.2Y95 F149 N152 I153 N154 K245Y95-H156 WeakPolarHBondContact OH-CB 3.4Å; Y95-H156 PolarHBondContact OH-O 3.45Å; F149-H156 HydrophobicContact CD2-CB 4.29Å; F149-H156 AromaticContact CD2-CD2 3.33Å; F149-H156 WeakPolarHBondContact CD2-CD2 3.28Å; F149-H156 AromaticContact CD2-CG 3.74Å; F149-H156 AromaticContact CD2-NE2 3.72Å; F149-H156 HydrophobicContact CE1-CB 4.31Å; F149-H156 HydrophobicContact CE2-CB 3.5Å; F149-H156 AromaticContact CE2-CD2 3.48Å; F149-H156 VanDerWaalsContact CE2-CD2 3.48Å; F149-H156 WeakPolarHBondContact CE2-CD2 3.38Å; F149-H156 AromaticContact CE2-CG 3.38Å; F149-H156 AromaticContact CG-CD2 3.81Å; F149-H156 HydrophobicContact CZ-CB 3.51Å; F149-H156 AromaticContact CZ-CG 3.9Å; N152-H156 PolarHBondContact O-CD2 3.47Å; I153-H156 PolarHBondContact O-N 2.94Å; I153-H156 VanDerWaalsContact O-N 3.17Å; N154-H156 VanDerWaalsContact C-N 3.28Å; H156-K245 WeakPolarHBondContact O-CE 3.42Å
157L98.4Very high96.9Very high2 Ų264.8 Ų64.81%0.0134%0.342CS..Hα-helixtrans-112.65-163.9-58.3-172.7000114.7Y95 F149 I153 V165 A241 F242 K245Y95-L157 HydrophobicContact CD1-CD2 4.2Å; Y95-L157 HydrophobicContact CD2-CD2 3.77Å; Y95-L157 HydrophobicContact CE1-CD2 4.13Å; Y95-L157 HydrophobicContact CE2-CD2 3.7Å; Y95-L157 HydrophobicContact CG-CD2 4.01Å; F149-L157 HydrophobicContact CE1-CD1 3.82Å; F149-L157 HydrophobicContact CE1-CG 4.05Å; F149-L157 HydrophobicContact CZ-CD1 4.05Å; F149-L157 HydrophobicContact CZ-CD2 3.95Å; F149-L157 HydrophobicContact CZ-CG 3.84Å; I153-L157 HydrophobicContact CD1-CD1 3.97Å; I153-L157 HydrophobicContact CG1-CB 4.08Å; I153-L157 HydrophobicContact CG1-CD1 3.86Å; I153-L157 HydrophobicContact CG1-CG 4.12Å; I153-L157 PolarHBondContact O-N 3.03Å; L157-V165 HydrophobicContact CB-CG2 4.3Å; L157-A241 HydrophobicContact CB-CB 4.2Å; L157-A241 HydrophobicContact CD1-CB 3.74Å; L157-F242 HydrophobicContact CD1-CD1 3.77Å; L157-F242 HydrophobicContact CD1-CD2 4.13Å; L157-F242 HydrophobicContact CD1-CE1 3.91Å; L157-F242 HydrophobicContact CD1-CE2 4.26Å; L157-F242 HydrophobicContact CD1-CG 3.88Å; L157-F242 HydrophobicContact CD1-CZ 4.15Å; L157-F242 HydrophobicContact CD2-CD1 3.69Å; L157-F242 HydrophobicContact CD2-CE1 3.91Å; L157-F242 HydrophobicContact CD2-CG 4.47Å; L157-F242 HydrophobicContact CG-CD1 4.41Å; L157-F242 HydrophobicContact CG-CE1 4.47Å; L157-K245 HydrophobicContact CB-CB 4.29Å; L157-K245 HydrophobicContact CD2-CB 3.84Å; L157-K245 HydrophobicContact CD2-CG 3.82Å
158S97.2Very high96.8Very high48 Ų4870 Ų7034%0.33637%0.366SS..  trans-63.4142.6171.956.70000111.9N154 K245N154-S158 WeakPolarHBondContact O-CB 3.31Å; N154-S158 PolarHBondContact O-OG 3.2Å; S158-K245 WeakPolarHBondContact O-CD 3.5Å; S158-K245 PolarHBondContact O-NZ 3.18Å
159V97Very high96.7Very high25 Ų2570 Ų7015%0.15236%0.362CS..  trans-115.8137.4174.2179.50000108.3N161 E162 R244 K245V159-N161 PolarHBondContact O-N 2.94Å; V159-E162 HydrophobicContact CB-CB 4.15Å; V159-E162 HydrophobicContact CB-CG 4.1Å; V159-E162 HydrophobicContact CG1-CG 4.06Å; V159-E162 WeakPolarHBondContact CG1-OE1 3.41Å; V159-E162 PolarHBondContact O-N 3.13Å; V159-E162 VanDerWaalsContact O-N 3.14Å; V159-R244 HydrophobicContact CG2-CB 4.48Å; V159-K245 HydrophobicContact CG2-CB 4.46Å; V159-K245 HydrophobicContact CG2-CD 4.21Å
160V93.4Very high96.6Very high125 Ų12572.3 Ų72.376%0.75837%0.374SS*.THydrogen-bonded Turntrans-62.7131.7-178-178.60000109.5E162V160-E162 VanDerWaalsContact C-N 3.26Å; V160-E162 PolarHBondContact O-N 3.16Å
161N93.3Very high96.4Very high166 Ų16677.1 Ų77.189%0.88840%0.397SS*.THydrogen-bonded Turntrans65.619.2-176.2-48.4-45.5000115.2V159V159-N161 PolarHBondContact O-N 2.94Å
162E95.4Very high96.3Very high85 Ų8571.8 Ų71.840%0.39738%0.379SS..SBendtrans-112.5159.3166.3-67.4-169.2-149.200110.8V159 V160 R244V159-E162 HydrophobicContact CB-CB 4.15Å; V159-E162 HydrophobicContact CB-CG 4.1Å; V159-E162 HydrophobicContact CG1-CG 4.06Å; V159-E162 WeakPolarHBondContact CG1-OE1 3.41Å; V159-E162 PolarHBondContact O-N 3.13Å; V159-E162 VanDerWaalsContact O-N 3.14Å; V160-E162 VanDerWaalsContact C-N 3.26Å; V160-E162 PolarHBondContact O-N 3.16Å; E162-R244 WeakPolarHBondContact OE2-CD 3.44Å; E162-R244 IonicContact OE2-CZ 2.78Å; E162-R244 IonicContact OE2-NE 3.5Å; E162-R244 IonicContact OE2-NH1 3.31Å; E162-R244 PolarHBondContact OE2-NH1 3.18Å
163D95.5Very high96.2Very high141 Ų14169.8 Ų69.875%0.75437%0.37SS*.PPolyproline II helixtrans-61.6147.7174.4-67.3-39.1000111.3
164P97.1Very high96.2Very high97 Ų9769.9 Ų69.963%0.6337%0.37SS*.PPolyproline II helixtrans-53.1146.4173-24.934.4000112N154 D166N154-P164 WeakPolarHBondContact OD1-CA 3.21Å; N154-P164 WeakPolarHBondContact OD1-CB 3.29Å; P164-D166 PolarHBondContact O-N 2.83Å
165V97.8Very high96.2Very high13 Ų1367 Ų678%0.07935%0.354CS..PPolyproline II helixtrans-68.9126.1173.3-178.70000108.9I153 N154 L157 L167 A241I153-V165 HydrophobicContact CD1-CG1 3.63Å; I153-V165 HydrophobicContact CG1-CB 4.36Å; I153-V165 HydrophobicContact CG1-CG1 3.99Å; I153-V165 HydrophobicContact CG2-CB 4.3Å; I153-V165 HydrophobicContact CG2-CG1 4.26Å; N154-V165 PolarHBondContact ND2-O 2.56Å; N154-V165 PolarHBondContact OD1-N 2.85Å; L157-V165 HydrophobicContact CB-CG2 4.3Å; V165-L167 HydrophobicContact CG1-CD2 4.35Å; V165-A241 HydrophobicContact CB-CB 4.42Å; V165-A241 HydrophobicContact CG1-CB 3.61Å; V165-A241 HydrophobicContact CG2-CB 3.87Å
166D97.1Very high96.2Very high96 Ų9660.5 Ų60.551%0.51332%0.324SS..  trans-118.5116.8170.5-176.9-0.2000108.8P164 Q168 S237P164-D166 PolarHBondContact O-N 2.83Å; D166-Q168 VanDerWaalsContact C-N 3.3Å; D166-Q168 VanDerWaalsContact CG-NE2 3.33Å; D166-Q168 PolarHBondContact OD1-N 2.84Å; D166-Q168 PolarHBondContact OD2-NE2 2.78Å; D166-S237 WeakPolarHBondContact O-CB 3.26Å; D166-S237 PolarHBondContact O-OG 2.8Å
167L96.4Very high96.3Very high11 Ų1158.6 Ų58.66%0.05832%0.315CS..  trans-83.1-7.1179.4-71.7-178.5000113.2M150 I153 V165 F169 F233 D234 L238M150-L167 HydrophobicContact CB-CD1 3.76Å; M150-L167 HydrophobicContact CG-CD1 3.85Å; M150-L167 HydrophobicContact SD-CD1 4.16Å; I153-L167 HydrophobicContact CD1-CD1 3.65Å; I153-L167 HydrophobicContact CD1-CD2 3.54Å; I153-L167 HydrophobicContact CD1-CG 3.65Å; I153-L167 HydrophobicContact CG2-CD1 4.48Å; V165-L167 HydrophobicContact CG1-CD2 4.35Å; L167-F169 HydrophobicContact CB-CB 4.43Å; L167-F169 PolarHBondContact O-N 2.88Å; L167-F233 HydrophobicContact CB-CB 4.17Å; L167-F233 WeakPolarHBondContact O-CB 3.47Å; L167-D234 PolarHBondContact O-N 3.4Å; L167-L238 HydrophobicContact CD2-CB 3.85Å; L167-L238 HydrophobicContact CD2-CD1 4.07Å
168Q95.5Very high96.3Very high115 Ų11558.5 Ų58.554%0.53731%0.314SS..  trans54.340.5-170.5-60.1-75.7-54.400111D166 N170 D234D166-Q168 VanDerWaalsContact C-N 3.3Å; D166-Q168 VanDerWaalsContact CG-NE2 3.33Å; D166-Q168 PolarHBondContact OD1-N 2.84Å; D166-Q168 PolarHBondContact OD2-NE2 2.78Å; Q168-N170 PolarHBondContact O-N 2.85Å; Q168-N170 PolarHBondContact O-ND2 2.98Å; Q168-D234 HydrophobicContact CB-CB 4.25Å
169F95.6Very high96.3Very high80 Ų8057.1 Ų57.135%0.35131%0.305SS..  trans-69.2124.5-175.4-177.9-119.3000111I130 L167 Q171 W232 F233I130-F169 HydrophobicContact CG2-CD2 4.5Å; I130-F169 HydrophobicContact CG2-CE2 3.56Å; I130-F169 HydrophobicContact CG2-CZ 4.26Å; L167-F169 HydrophobicContact CB-CB 4.43Å; L167-F169 PolarHBondContact O-N 2.88Å; F169-Q171 HydrophobicContact CD1-CB 4.11Å; F169-Q171 HydrophobicContact CD1-CG 4.47Å; F169-Q171 HydrophobicContact CE1-CB 3.62Å; F169-Q171 HydrophobicContact CE1-CG 3.57Å; F169-Q171 HydrophobicContact CZ-CB 4.26Å; F169-Q171 HydrophobicContact CZ-CG 4.12Å; F169-W232 CarbonylContact C-O 3.6Å; F169-W232 WeakPolarHBondContact CA-O 3.42Å; F169-W232 VanDerWaalsContact CD2-O 3.28Å; F169-W232 WeakPolarHBondContact CD2-O 3.45Å; F169-F233 HydrophobicContact CB-CB 4.46Å; F169-F233 HydrophobicContact CD2-CB 4.1Å
170N95.4Very high96.3Very high57 Ų5763.3 Ų63.331%0.30533%0.332SS..BIsolated β-bridgetrans-105108.1175.6-77.1-98.8000108.8Q168 S172 G231 W232Q168-N170 PolarHBondContact O-N 2.85Å; Q168-N170 PolarHBondContact O-ND2 2.98Å; N170-S172 VanDerWaalsContact C-N 3.28Å; N170-S172 PolarHBondContact O-N 2.75Å; N170-S172 VanDerWaalsContact O-N 3.15Å; N170-G231 VanDerWaalsContact O-CA 3.3Å; N170-G231 WeakPolarHBondContact O-CA 3.23Å; N170-W232 HydrophobicContact CB-CD2 3.79Å; N170-W232 HydrophobicContact CB-CE3 4.41Å; N170-W232 HydrophobicContact CB-CG 4.19Å; N170-W232 HydrophobicContact CB-CH2 4.22Å; N170-W232 HydrophobicContact CB-CZ2 3.57Å; N170-W232 PolarHBondContact N-O 3.01Å; N170-W232 PolarHBondContact O-N 2.91Å; N170-W232 VanDerWaalsContact O-N 3.15Å
171Q93.6Very high96.4Very high117 Ų11765.1 Ų65.155%0.54733%0.333SS..  trans-9151.8-173.7-158.7170.215.200112.2F169 G173F169-Q171 HydrophobicContact CD1-CB 4.11Å; F169-Q171 HydrophobicContact CD1-CG 4.47Å; F169-Q171 HydrophobicContact CE1-CB 3.62Å; F169-Q171 HydrophobicContact CE1-CG 3.57Å; F169-Q171 HydrophobicContact CZ-CB 4.26Å; F169-Q171 HydrophobicContact CZ-CG 4.12Å; Q171-G173 VanDerWaalsContact C-N 3.35Å
172S94.2Very high96.6Very high19 Ų1958.6 Ų58.613%0.13330%0.298CS..  trans-91.84.3179.7-58.90000113.6N170 Y225 L352 S354 P355N170-S172 VanDerWaalsContact C-N 3.28Å; N170-S172 PolarHBondContact O-N 2.75Å; N170-S172 VanDerWaalsContact O-N 3.15Å; S172-Y225 PolarHBondContact O-OH 2.85Å; S172-L352 PolarHBondContact OG-O 3.19Å; S172-S354 VanDerWaalsContact CB-O 3.28Å; S172-S354 WeakPolarHBondContact CB-O 3.39Å; S172-P355 WeakPolarHBondContact O-CA 3.47Å; S172-P355 WeakPolarHBondContact O-CB 3.07Å
173G96.2Very high96.6Very high4 Ų455.1 Ų55.14%0.04129%0.285CS..  trans74.4178.4179.600000113.8Q171 E230 F356Q171-G173 VanDerWaalsContact C-N 3.35Å; G173-E230 WeakPolarHBondContact CA-O 3.45Å; G173-E230 PolarHBondContact N-O 3.09Å; G173-F356 PolarHBondContact O-N 2.79Å
174Y97.6Very high96.7Very high11 Ų1153.4 Ų53.44%0.04327%0.272CS..EExtended strand (participates in β ladder)trans-117.4133.2171.9-106-97.5000109.9G129 I130 R131 Q133 F176 Y225 G226 E230 G231 F356 I358G129-Y174 WeakPolarHBondContact CA-OH 3.42Å; I130-Y174 WeakPolarHBondContact O-CD2 3.29Å; I130-Y174 WeakPolarHBondContact O-CE2 3.5Å; R131-Y174 HydrophobicContact CB-CD1 4.33Å; R131-Y174 HydrophobicContact CB-CD2 3.89Å; R131-Y174 HydrophobicContact CB-CE2 4.2Å; R131-Y174 HydrophobicContact CB-CG 3.94Å; Q133-Y174 PolarHBondContact NE2-O 2.88Å; Y174-F176 AromaticContact CD1-CE2 3.83Å; Y174-F176 HydrophobicContact CD1-CE2 3.83Å; Y174-F176 HydrophobicContact CD1-CZ 4.37Å; Y174-Y225 CarbonylContact O-C 3.51Å; Y174-Y225 WeakPolarHBondContact O-CA 3.25Å; Y174-Y225 WeakPolarHBondContact O-CD2 3.4Å; Y174-G226 PolarHBondContact O-N 3.03Å; Y174-E230 WeakPolarHBondContact CB-OE2 3.48Å; Y174-E230 HydrophobicContact CD2-CB 4.29Å; Y174-G231 WeakPolarHBondContact CE2-O 3.48Å; Y174-F356 CarbonylContact C-O 3.52Å; Y174-F356 WeakPolarHBondContact CA-O 3.35Å; Y174-F356 HydrophobicContact CD1-CB 3.9Å; Y174-F356 HydrophobicContact CD1-CD2 4.07Å; Y174-F356 HydrophobicContact CD1-CG 4.12Å; Y174-F356 HydrophobicContact CD2-CB 3.73Å; Y174-F356 HydrophobicContact CD2-CG 4.27Å; Y174-F356 HydrophobicContact CE1-CB 3.79Å; Y174-F356 HydrophobicContact CE1-CD1 4.17Å; Y174-F356 AromaticContact CE1-CD2 3.31Å; Y174-F356 HydrophobicContact CE1-CD2 3.31Å; Y174-F356 AromaticContact CE1-CE2 3.9Å; Y174-F356 HydrophobicContact CE1-CE2 3.9Å; Y174-F356 AromaticContact CE1-CG 3.49Å; Y174-F356 HydrophobicContact CE1-CG 3.49Å; Y174-F356 VanDerWaalsContact CE1-CG 3.49Å; Y174-F356 HydrophobicContact CE2-CB 3.64Å; Y174-F356 AromaticContact CE2-CD1 3.79Å; Y174-F356 HydrophobicContact CE2-CD1 3.79Å; Y174-F356 HydrophobicContact CE2-CD2 4.37Å; Y174-F356 AromaticContact CE2-CG 3.68Å; Y174-F356 HydrophobicContact CE2-CG 3.68Å; Y174-F356 HydrophobicContact CG-CB 3.86Å; Y174-F356 HydrophobicContact CG-CG 4.46Å; Y174-F356 AromaticContact CZ-CD1 3.46Å; Y174-F356 VanDerWaalsContact CZ-CD1 3.46Å; Y174-F356 AromaticContact CZ-CD2 3.5Å; Y174-F356 AromaticContact CZ-CE1 3.94Å; Y174-F356 AromaticContact CZ-CE2 3.96Å; Y174-F356 AromaticContact CZ-CG 3.23Å; Y174-F356 WeakPolarHBondContact OH-CD1 3.48Å; Y174-F356 WeakPolarHBondContact OH-CE1 3.29Å; Y174-F356 WeakPolarHBondContact OH-CG 3.25Å; Y174-F356 WeakPolarHBondContact OH-CZ 3.45Å; Y174-I358 HydrophobicContact CD1-CG1 4.14Å; Y174-I358 HydrophobicContact CE1-CD1 4.12Å; Y174-I358 HydrophobicContact CE1-CG1 4.05Å
175L98.4Very high96.7Very high0 Ų050.6 Ų50.60%025%0.251CS..EExtended strand (participates in β ladder)trans-117.2111.8177.4-17868.9000109.9L177 F212 I215 A223 S224 Y225 P355 F356 L357 I358L175-L177 HydrophobicContact CD1-CD2 4.4Å; L175-L177 HydrophobicContact CD2-CD2 4.03Å; L175-L177 HydrophobicContact CG-CD2 3.96Å; L175-F212 HydrophobicContact CD1-CE2 4.39Å; L175-F212 HydrophobicContact CD2-CD2 3.89Å; L175-F212 HydrophobicContact CD2-CE2 3.78Å; L175-I215 HydrophobicContact CD2-CD1 4.21Å; L175-A223 HydrophobicContact CD1-CB 3.95Å; L175-S224 WeakPolarHBondContact CA-O 3.45Å; L175-Y225 HydrophobicContact CB-CD2 4.11Å; L175-Y225 HydrophobicContact CD1-CD2 4.13Å; L175-Y225 HydrophobicContact CD1-CG 4.36Å; L175-P355 HydrophobicContact CB-CB 3.93Å; L175-P355 HydrophobicContact CB-CG 3.52Å; L175-P355 HydrophobicContact CD2-CG 3.99Å; L175-P355 HydrophobicContact CG-CG 4.41Å; L175-F356 PolarHBondContact N-O 2.88Å; L175-L357 HydrophobicContact CD2-CD1 4.23Å; L175-L357 WeakPolarHBondContact O-CA 3.4Å; L175-I358 PolarHBondContact O-N 3.44Å
176F98.4Very high96.7Very high13 Ų1350.5 Ų50.56%0.05725%0.25CC..EExtended strand (participates in β ladder)trans-96.7135.3169.6-76.3-98.7000110.3R131 Q133 Y174 M186 A223 S224 I358R131-F176 VanDerWaalsContact NH1-CZ 3.34Å; Q133-F176 HydrophobicContact CB-CD2 4.18Å; Q133-F176 HydrophobicContact CB-CE2 3.89Å; Y174-F176 AromaticContact CD1-CE2 3.83Å; Y174-F176 HydrophobicContact CD1-CE2 3.83Å; Y174-F176 HydrophobicContact CD1-CZ 4.37Å; F176-M186 HydrophobicContact CB-CE 3.76Å; F176-A223 CarbonylContact O-C 3.5Å; F176-A223 WeakPolarHBondContact O-CA 3.35Å; F176-A223 WeakPolarHBondContact O-CB 3.48Å; F176-S224 PolarHBondContact N-O 2.96Å; F176-S224 PolarHBondContact O-N 3.49Å; F176-I358 WeakPolarHBondContact CA-O 3.46Å; F176-I358 HydrophobicContact CD1-CB 3.62Å; F176-I358 HydrophobicContact CD1-CG1 4.04Å; F176-I358 HydrophobicContact CD1-CG2 3.79Å; F176-I358 HydrophobicContact CE1-CB 3.69Å; F176-I358 HydrophobicContact CE1-CG1 3.64Å; F176-I358 HydrophobicContact CE1-CG2 3.72Å; F176-I358 HydrophobicContact CE2-CG1 4.22Å; F176-I358 HydrophobicContact CG-CB 4.18Å; F176-I358 HydrophobicContact CZ-CB 4.29Å; F176-I358 HydrophobicContact CZ-CG1 3.76Å
177L98.4Very high96.8Very high5 Ų550.8 Ų50.83%0.02625%0.248CC..EExtended strand (participates in β ladder)trans-107.4138.3173.5-52177.7000109.4L175 I215 V220 A223 L357 I358 Y360 R409L175-L177 HydrophobicContact CD1-CD2 4.4Å; L175-L177 HydrophobicContact CD2-CD2 4.03Å; L175-L177 HydrophobicContact CG-CD2 3.96Å; L177-I215 HydrophobicContact CD1-CD1 4Å; L177-I215 HydrophobicContact CD2-CD1 4.43Å; L177-V220 HydrophobicContact CB-CG1 4.38Å; L177-V220 HydrophobicContact CB-CG2 4.37Å; L177-V220 HydrophobicContact CD1-CG2 4.21Å; L177-V220 HydrophobicContact CD2-CG1 4.29Å; L177-A223 HydrophobicContact CD2-CB 3.66Å; L177-L357 HydrophobicContact CD1-CD1 4.3Å; L177-L357 HydrophobicContact CD1-CD2 4.41Å; L177-I358 PolarHBondContact N-O 3.32Å; L177-Y360 HydrophobicContact CB-CD1 4.28Å; L177-Y360 WeakPolarHBondContact O-CB 3.46Å; L177-Y360 PolarHBondContact O-N 3.18Å; L177-R409 VanDerWaalsContact CD1-CD 3.45Å; L177-R409 HydrophobicContact CD1-CG 4.25Å
178A98Very high96.8Very high0 Ų055.1 Ų55.10%027%0.268CS..EExtended strand (participates in β ladder)trans-114.5139.5174.300000110.4V182 M186 A221 L222A178-V182 HydrophobicContact CB-CG2 3.84Å; A178-M186 HydrophobicContact CB-CB 4.32Å; A178-M186 HydrophobicContact CB-CE 3.55Å; A178-M186 HydrophobicContact CB-SD 3.74Å; A178-A221 PolarHBondContact O-N 3.02Å; A178-L222 HydrophobicContact CB-CB 4.36Å; A178-L222 PolarHBondContact N-O 3.43Å; A178-L222 PolarHBondContact O-N 3.13Å
179S97.6Very high96.9Very high20 Ų2050 Ų5014%0.1425%0.245CC..  trans-75.8170.8161.764.40000110.2E181 V182 A183 Y360S179-E181 PolarHBondContact O-N 2.91Å; S179-V182 PolarHBondContact O-N 3.38Å; S179-A183 PolarHBondContact O-N 2.6Å; S179-Y360 VanDerWaalsContact N-CD1 3.33Å
180E97.3Very high97.1Very high154 Ų15448.9 Ų48.972%0.7224%0.238SC*.Hα-helixtrans-53.8-38.8176.3-167.966.3-156.400112.2V182 A221E180-V182 VanDerWaalsContact C-N 3.29Å; E180-V182 PolarHBondContact O-N 3.14Å; E180-A221 HydrophobicContact CB-CB 4.25Å; E180-A221 VanDerWaalsContact OE2-CB 3.28Å; E180-A221 WeakPolarHBondContact OE2-CB 3Å
181E96.3Very high97.2Very high164 Ų16450.5 Ų50.577%0.76625%0.247SC*.Hα-helixtrans-62.4-33.8-176.3-62.7179.7175.800113S179 H184S179-E181 PolarHBondContact O-N 2.91Å; E181-H184 PolarHBondContact O-CE1 2.99Å; E181-H184 PolarHBondContact O-ND1 3.18Å
182V95.9Very high97.4Very high28 Ų2847.3 Ų47.317%0.1724%0.235CC..Hα-helixtrans-114.32.1-173.2-58.40000113.8A178 S179 E180 H184 I185 M186 N499A178-V182 HydrophobicContact CB-CG2 3.84Å; S179-V182 PolarHBondContact O-N 3.38Å; E180-V182 VanDerWaalsContact C-N 3.29Å; E180-V182 PolarHBondContact O-N 3.14Å; V182-H184 VanDerWaalsContact C-N 3.34Å; V182-H184 PolarHBondContact O-N 2.87Å; V182-I185 PolarHBondContact O-N 3.49Å; V182-I185 VanDerWaalsContact O-N 3.16Å; V182-M186 PolarHBondContact O-N 2.77Å; V182-M186 VanDerWaalsContact O-N 3.13Å; V182-N499 WeakPolarHBondContact CB-ND2 3.47Å; V182-N499 WeakPolarHBondContact CG2-ND2 3.44Å
183A97.2Very high97.6Very high13 Ų1346.6 Ų46.611%0.10723%0.23CC..Hα-helixtrans-58.8-43.3-179.100000112.5S179 I185 M186 E187 A221 L222S179-A183 PolarHBondContact O-N 2.6Å; A183-I185 VanDerWaalsContact C-N 3.29Å; A183-I185 PolarHBondContact O-N 3.24Å; A183-M186 WeakPolarHBondContact O-CB 3.41Å; A183-M186 PolarHBondContact O-N 2.58Å; A183-M186 VanDerWaalsContact O-N 3.09Å; A183-E187 PolarHBondContact O-N 3.01Å; A183-A221 HydrophobicContact CB-CB 4.07Å; A183-L222 HydrophobicContact CB-CB 4.09Å
184H97.1Very high97.7Very high104 Ų10451.3 Ų51.348%0.48125%0.247SC..Hα-helixtrans-62.4-33.3178.271.8-80.7000113.1E181 V182 E187 Q188E181-H184 PolarHBondContact O-CE1 2.99Å; E181-H184 PolarHBondContact O-ND1 3.18Å; V182-H184 VanDerWaalsContact C-N 3.34Å; V182-H184 PolarHBondContact O-N 2.87Å; H184-E187 PolarHBondContact O-N 3.48Å; H184-Q188 WeakPolarHBondContact O-CG 3.45Å; H184-Q188 PolarHBondContact O-N 2.91Å
185I96.9Very high97.7Very high38 Ų3856.4 Ų56.420%0.19528%0.283CS..Hα-helixtrans-69.3-41.9174.6-54.9177.2000109.6V182 A183 E187 Q188 N189 Q498 N499V182-I185 PolarHBondContact O-N 3.49Å; V182-I185 VanDerWaalsContact O-N 3.16Å; A183-I185 VanDerWaalsContact C-N 3.29Å; A183-I185 PolarHBondContact O-N 3.24Å; I185-E187 VanDerWaalsContact C-N 3.3Å; I185-E187 PolarHBondContact O-N 3.06Å; I185-Q188 PolarHBondContact O-N 3.46Å; I185-N189 WeakPolarHBondContact O-CB 3.45Å; I185-N189 PolarHBondContact O-N 2.98Å; I185-Q498 HydrophobicContact CG2-CB 3.87Å; I185-N499 HydrophobicContact CB-CB 4.33Å; I185-N499 HydrophobicContact CG2-CB 3.78Å
186M97.9Very high97.7Very high12 Ų1257.2 Ų57.26%0.05929%0.289CS..Hα-helixtrans-60.6-37.6175.9178.6176.4-76.800112.1F176 A178 V182 A183 N189 Y190 L202 L222F176-M186 HydrophobicContact CB-CE 3.76Å; A178-M186 HydrophobicContact CB-CB 4.32Å; A178-M186 HydrophobicContact CB-CE 3.55Å; A178-M186 HydrophobicContact CB-SD 3.74Å; V182-M186 PolarHBondContact O-N 2.77Å; V182-M186 VanDerWaalsContact O-N 3.13Å; A183-M186 WeakPolarHBondContact O-CB 3.41Å; A183-M186 PolarHBondContact O-N 2.58Å; A183-M186 VanDerWaalsContact O-N 3.09Å; M186-N189 PolarHBondContact O-N 3.29Å; M186-Y190 VanDerWaalsContact O-CB 3.29Å; M186-Y190 WeakPolarHBondContact O-CB 3.48Å; M186-Y190 PolarHBondContact O-N 3.3Å; M186-L202 HydrophobicContact CG-CD2 4.03Å; M186-L202 HydrophobicContact SD-CD2 4.35Å; M186-L222 HydrophobicContact CB-CD2 4.2Å; M186-L222 HydrophobicContact CG-CD2 4.02Å; M186-L222 HydrophobicContact SD-CB 4.23Å; M186-L222 HydrophobicContact SD-CD2 4.02Å; M186-L222 HydrophobicContact SD-CG 3.97Å
187E98.1Very high97.7Very high101 Ų10158.3 Ų58.347%0.47230%0.304SS..Hα-helixtrans-64.6-41.6173.7-67.7-178.1160.800112.7A183 H184 I185 Y190 N191 L202 L222A183-E187 PolarHBondContact O-N 3.01Å; H184-E187 PolarHBondContact O-N 3.48Å; I185-E187 VanDerWaalsContact C-N 3.3Å; I185-E187 PolarHBondContact O-N 3.06Å; E187-Y190 PolarHBondContact O-N 2.67Å; E187-N191 PolarHBondContact O-N 2.83Å; E187-N191 VanDerWaalsContact O-N 3.13Å; E187-N191 PolarHBondContact O-ND2 3.2Å; E187-L202 HydrophobicContact CG-CD1 4.18Å; E187-L222 HydrophobicContact CG-CD2 3.62Å
188Q97.7Very high97.7Very high103 Ų10358.1 Ų58.148%0.48130%0.303SS..Hα-helixtrans-63.3-48.3175.5-69.1173.97.800111H184 I185 Y190 N191 T192H184-Q188 WeakPolarHBondContact O-CG 3.45Å; H184-Q188 PolarHBondContact O-N 2.91Å; I185-Q188 PolarHBondContact O-N 3.46Å; Q188-Y190 VanDerWaalsContact C-N 3.33Å; Q188-Y190 PolarHBondContact O-N 2.91Å; Q188-N191 WeakPolarHBondContact O-CB 3.35Å; Q188-N191 PolarHBondContact O-N 3.33Å; Q188-N191 VanDerWaalsContact O-N 3.14Å; Q188-T192 PolarHBondContact O-N 3.36Å; Q188-T192 VanDerWaalsContact O-N 3.09Å; Q188-T192 PolarHBondContact O-OG1 3.2Å
189N97.9Very high97.7Very high8 Ų862.2 Ų62.24%0.04332%0.321CS..Hα-helixtrans-59-44.4176.8-73.2-8.2000111.4S135 I185 M186 N191 T192 Q193 Q498S135-N189 WeakPolarHBondContact CB-OD1 3.44Å; I185-N189 WeakPolarHBondContact O-CB 3.45Å; I185-N189 PolarHBondContact O-N 2.98Å; M186-N189 PolarHBondContact O-N 3.29Å; N189-N191 VanDerWaalsContact C-N 3.3Å; N189-N191 PolarHBondContact O-N 3.35Å; N189-T192 PolarHBondContact O-N 2.89Å; N189-Q193 WeakPolarHBondContact O-CB 3.31Å; N189-Q193 VanDerWaalsContact O-CD 3.26Å; N189-Q193 WeakPolarHBondContact O-CG 3.2Å; N189-Q193 PolarHBondContact O-N 2.96Å; N189-Q498 PolarHBondContact ND2-O 3.19Å
190Y98.1Very high97.7Very high55 Ų5561.4 Ų61.422%0.21632%0.315CS..Hα-helixtrans-54.5-45.8174.9166.9-98.3000111.7M186 E187 Q188 Q193 R194 V200 L202M186-Y190 VanDerWaalsContact O-CB 3.29Å; M186-Y190 WeakPolarHBondContact O-CB 3.48Å; M186-Y190 PolarHBondContact O-N 3.3Å; E187-Y190 PolarHBondContact O-N 2.67Å; Q188-Y190 VanDerWaalsContact C-N 3.33Å; Q188-Y190 PolarHBondContact O-N 2.91Å; Y190-Q193 PolarHBondContact O-N 2.93Å; Y190-R194 HydrophobicContact CD1-CG 4.39Å; Y190-R194 HydrophobicContact CD2-CG 3.97Å; Y190-R194 HydrophobicContact CE1-CG 4.06Å; Y190-R194 HydrophobicContact CE2-CG 3.59Å; Y190-R194 HydrophobicContact CG-CG 4.35Å; Y190-R194 WeakPolarHBondContact O-CB 3.47Å; Y190-R194 WeakPolarHBondContact O-CG 3.43Å; Y190-R194 PolarHBondContact O-N 3.24Å; Y190-V200 HydrophobicContact CD2-CB 4.44Å; Y190-V200 HydrophobicContact CD2-CG2 3.61Å; Y190-V200 HydrophobicContact CE2-CG2 3.88Å; Y190-V200 WeakPolarHBondContact CE2-O 3.47Å; Y190-L202 HydrophobicContact CD1-CD1 3.71Å; Y190-L202 HydrophobicContact CD1-CG 4.07Å; Y190-L202 HydrophobicContact CD2-CD1 4.22Å; Y190-L202 HydrophobicContact CD2-CD2 4.11Å; Y190-L202 HydrophobicContact CD2-CG 3.64Å; Y190-L202 HydrophobicContact CE1-CD1 4.26Å; Y190-L202 HydrophobicContact CE1-CG 4.48Å; Y190-L202 HydrophobicContact CE2-CG 4.09Å; Y190-L202 HydrophobicContact CG-CD1 3.69Å; Y190-L202 HydrophobicContact CG-CD2 4.1Å; Y190-L202 HydrophobicContact CG-CG 3.63Å
191N98.1Very high97.7Very high92 Ų9255.7 Ų55.749%0.49229%0.292SS..Hα-helixtrans-62.2-46.1177.7-69.7-48.8000111.8E187 Q188 N189 Q193 R194 C195E187-N191 PolarHBondContact O-N 2.83Å; E187-N191 VanDerWaalsContact O-N 3.13Å; E187-N191 PolarHBondContact O-ND2 3.2Å; Q188-N191 WeakPolarHBondContact O-CB 3.35Å; Q188-N191 PolarHBondContact O-N 3.33Å; Q188-N191 VanDerWaalsContact O-N 3.14Å; N189-N191 VanDerWaalsContact C-N 3.3Å; N189-N191 PolarHBondContact O-N 3.35Å; N191-Q193 PolarHBondContact O-N 3.39Å; N191-R194 PolarHBondContact O-N 3.27Å; N191-C195 WeakPolarHBondContact O-CB 3.49Å; N191-C195 PolarHBondContact O-N 2.95Å; N191-C195 PolarHBondContact O-SG 3.39Å
192T98.1Very high97.8Very high49 Ų4949.8 Ų49.830%0.30127%0.266SS..Hα-helixtrans-59.3-46.6176.4-58.20000111.8L137 I140 Q188 N189 R194 C195 A196L137-T192 HydrophobicContact CD2-CG2 3.74Å; L137-T192 HydrophobicContact CG-CG2 4.39Å; I140-T192 HydrophobicContact CD1-CG2 3.85Å; Q188-T192 PolarHBondContact O-N 3.36Å; Q188-T192 VanDerWaalsContact O-N 3.09Å; Q188-T192 PolarHBondContact O-OG1 3.2Å; N189-T192 PolarHBondContact O-N 2.89Å; T192-R194 PolarHBondContact O-N 3.32Å; T192-C195 PolarHBondContact O-N 2.93Å; T192-A196 WeakPolarHBondContact O-CB 3.44Å; T192-A196 PolarHBondContact O-N 2.9Å
193Q98.3Very high98Very high5 Ų549.9 Ų49.92%0.02326%0.264CS..Hα-helixtrans-59.4-47.2178.3-70.2160.117.700111.8F134 I140 N189 Y190 N191 A196 G197 A198 V200F134-Q193 VanDerWaalsContact O-CG 3.26Å; F134-Q193 WeakPolarHBondContact O-CG 3.32Å; F134-Q193 PolarHBondContact O-NE2 3.34Å; I140-Q193 HydrophobicContact CD1-CG 4.09Å; N189-Q193 WeakPolarHBondContact O-CB 3.31Å; N189-Q193 VanDerWaalsContact O-CD 3.26Å; N189-Q193 WeakPolarHBondContact O-CG 3.2Å; N189-Q193 PolarHBondContact O-N 2.96Å; Y190-Q193 PolarHBondContact O-N 2.93Å; N191-Q193 PolarHBondContact O-N 3.39Å; Q193-A196 PolarHBondContact O-N 3.48Å; Q193-G197 PolarHBondContact O-N 3.25Å; Q193-A198 HydrophobicContact CB-CB 4.06Å; Q193-A198 VanDerWaalsContact O-CB 3.26Å; Q193-A198 WeakPolarHBondContact O-CB 3.47Å; Q193-A198 PolarHBondContact O-N 2.91Å; Q193-V200 HydrophobicContact CB-CG2 4.03Å
194R98.3Very high98Very high103 Ų10351.4 Ų51.439%0.38927%0.274SS..Hα-helixtrans-64.2-42.2178.3-67.6-69.5-66.5157.2-10111.9Y190 N191 T192 A196 G197 A198 V200Y190-R194 HydrophobicContact CD1-CG 4.39Å; Y190-R194 HydrophobicContact CD2-CG 3.97Å; Y190-R194 HydrophobicContact CE1-CG 4.06Å; Y190-R194 HydrophobicContact CE2-CG 3.59Å; Y190-R194 HydrophobicContact CG-CG 4.35Å; Y190-R194 WeakPolarHBondContact O-CB 3.47Å; Y190-R194 WeakPolarHBondContact O-CG 3.43Å; Y190-R194 PolarHBondContact O-N 3.24Å; N191-R194 PolarHBondContact O-N 3.27Å; T192-R194 PolarHBondContact O-N 3.32Å; R194-A196 VanDerWaalsContact C-N 3.32Å; R194-A196 PolarHBondContact O-N 3.47Å; R194-G197 PolarHBondContact O-N 3.06Å; R194-G197 VanDerWaalsContact O-N 3.09Å; R194-A198 PolarHBondContact NH1-O 2.94Å; R194-A198 VanDerWaalsContact NH1-O 3.11Å; R194-V200 HydrophobicContact CG-CG2 3.95Å
195C98.1Very high98.1Very high118 Ų11848.2 Ų48.280%0.79726%0.262SS*.Hα-helixtrans-62.1-38.5175.9-74.40000112.3N191 T192 G197N191-C195 WeakPolarHBondContact O-CB 3.49Å; N191-C195 PolarHBondContact O-N 2.95Å; N191-C195 PolarHBondContact O-SG 3.39Å; T192-C195 PolarHBondContact O-N 2.93Å; C195-G197 PolarHBondContact O-N 3.47Å
196A97.9Very high98.2Very high17 Ų1752.7 Ų52.714%0.1428%0.282CS..THydrogen-bonded Turntrans-74.5-6.7175.100000113.8L137 I140 L144 T192 Q193 R194L137-A196 HydrophobicContact CD2-CB 3.96Å; I140-A196 HydrophobicContact CB-CB 4.26Å; I140-A196 HydrophobicContact CD1-CB 4.35Å; I140-A196 HydrophobicContact CG2-CB 3.59Å; L144-A196 VanDerWaalsContact CD1-O 3.25Å; L144-A196 WeakPolarHBondContact CD1-O 3.43Å; T192-A196 WeakPolarHBondContact O-CB 3.44Å; T192-A196 PolarHBondContact O-N 2.9Å; Q193-A196 PolarHBondContact O-N 3.48Å; R194-A196 VanDerWaalsContact C-N 3.32Å; R194-A196 PolarHBondContact O-N 3.47Å
197G98Very high98.2Very high36 Ų3656.4 Ų56.437%0.37130%0.299SS..THydrogen-bonded Turntrans103.6-0.117500000115.6Q193 R194 C195Q193-G197 PolarHBondContact O-N 3.25Å; R194-G197 PolarHBondContact O-N 3.06Å; R194-G197 VanDerWaalsContact O-N 3.09Å; C195-G197 PolarHBondContact O-N 3.47Å
198A98.1Very high98.2Very high0 Ų051.6 Ų51.60%028%0.277CS..  trans-63.9144.7177.700000112.2Q132 Q193 R194 V200Q132-A198 HydrophobicContact CB-CB 3.85Å; Q193-A198 HydrophobicContact CB-CB 4.06Å; Q193-A198 VanDerWaalsContact O-CB 3.26Å; Q193-A198 WeakPolarHBondContact O-CB 3.47Å; Q193-A198 PolarHBondContact O-N 2.91Å; R194-A198 PolarHBondContact NH1-O 2.94Å; R194-A198 VanDerWaalsContact NH1-O 3.11Å; A198-V200 HydrophobicContact CB-CG1 4.42Å; A198-V200 PolarHBondContact O-N 3.15Å
199K98.1Very high98.2Very high87 Ų8750.9 Ų50.938%0.37827%0.272SS..  trans-10081.9179.2-55.7-58.3-175.2-172.10109.1L227 E228K199-L227 HydrophobicContact CB-CB 4.25Å; K199-L227 WeakPolarHBondContact O-CB 3.12Å; K199-L227 PolarHBondContact O-N 2.93Å; K199-E228 HydrophobicContact CB-CB 3.88Å; K199-E228 HydrophobicContact CB-CG 4.03Å; K199-E228 HydrophobicContact CG-CB 4.04Å; K199-E228 HydrophobicContact CG-CG 4.11Å
200V97.8Very high98.2Very high3 Ų356.3 Ų56.32%0.01830%0.298CS..EExtended strand (participates in β ladder)trans-120157.6179.4-660000110.5Q133 Y190 Q193 R194 A198 Y225Q133-V200 HydrophobicContact CG-CG1 3.66Å; Y190-V200 HydrophobicContact CD2-CB 4.44Å; Y190-V200 HydrophobicContact CD2-CG2 3.61Å; Y190-V200 HydrophobicContact CE2-CG2 3.88Å; Y190-V200 WeakPolarHBondContact CE2-O 3.47Å; Q193-V200 HydrophobicContact CB-CG2 4.03Å; R194-V200 HydrophobicContact CG-CG2 3.95Å; A198-V200 HydrophobicContact CB-CG1 4.42Å; A198-V200 PolarHBondContact O-N 3.15Å; V200-Y225 CarbonylContact C-O 3.54Å; V200-Y225 WeakPolarHBondContact CA-O 3.48Å
201S98.2Very high98.2Very high34 Ų3458.1 Ų58.124%0.23831%0.306CS..EExtended strand (participates in β ladder)trans-137.4139.4175.7-169.70000110.4F203 Y225S201-F203 WeakPolarHBondContact OG-CE1 3.29Å; S201-Y225 PolarHBondContact N-O 2.8Å; S201-Y225 PolarHBondContact O-N 2.97Å
202L98.6Very high98.2Very high40 Ų4053.8 Ų53.821%0.20928%0.283CS..EExtended strand (participates in β ladder)trans-87.3135.8170.7-67.4178.5000110.4M186 E187 Y190 L222 A223M186-L202 HydrophobicContact CG-CD2 4.03Å; M186-L202 HydrophobicContact SD-CD2 4.35Å; E187-L202 HydrophobicContact CG-CD1 4.18Å; Y190-L202 HydrophobicContact CD1-CD1 3.71Å; Y190-L202 HydrophobicContact CD1-CG 4.07Å; Y190-L202 HydrophobicContact CD2-CD1 4.22Å; Y190-L202 HydrophobicContact CD2-CD2 4.11Å; Y190-L202 HydrophobicContact CD2-CG 3.64Å; Y190-L202 HydrophobicContact CE1-CD1 4.26Å; Y190-L202 HydrophobicContact CE1-CG 4.48Å; Y190-L202 HydrophobicContact CE2-CG 4.09Å; Y190-L202 HydrophobicContact CG-CD1 3.69Å; Y190-L202 HydrophobicContact CG-CD2 4.1Å; Y190-L202 HydrophobicContact CG-CG 3.63Å; L202-L222 HydrophobicContact CB-CD1 4.23Å; L202-L222 HydrophobicContact CD1-CD2 4.19Å; L202-L222 HydrophobicContact CD2-CD2 4.02Å; L202-L222 HydrophobicContact CD2-CG 4.22Å; L202-A223 CarbonylContact C-O 3.46Å; L202-A223 VanDerWaalsContact CA-O 3.26Å; L202-A223 WeakPolarHBondContact CA-O 3.34Å
203F98.7Very high98.1Very high29 Ų2955.4 Ų55.413%0.12730%0.295CS..EExtended strand (participates in β ladder)trans-119.7139.7175.3-65.3-21.9000111.1S201 Q207 V208 K211 A223 Y225S201-F203 WeakPolarHBondContact OG-CE1 3.29Å; F203-Q207 HydrophobicContact CB-CB 3.94Å; F203-Q207 HydrophobicContact CD1-CB 4.43Å; F203-Q207 HydrophobicContact CG-CB 4.24Å; F203-V208 HydrophobicContact CB-CG2 3.71Å; F203-V208 HydrophobicContact CD2-CG2 4.4Å; F203-K211 HydrophobicContact CE2-CD 3.66Å; F203-K211 HydrophobicContact CZ-CD 4.2Å; F203-A223 HydrophobicContact CB-CB 4.44Å; F203-A223 PolarHBondContact N-O 2.96Å; F203-A223 PolarHBondContact O-N 3.11Å; F203-Y225 AromaticContact CE2-CD1 3.64Å; F203-Y225 HydrophobicContact CE2-CD1 3.64Å; F203-Y225 AromaticContact CE2-CG 3.85Å; F203-Y225 HydrophobicContact CE2-CG 3.85Å; F203-Y225 AromaticContact CZ-CD1 3.86Å; F203-Y225 HydrophobicContact CZ-CD1 3.86Å; F203-Y225 HydrophobicContact CZ-CG 4.41Å
204S98.6Very high98.1Very high45 Ų4557.6 Ų57.632%0.31530%0.303SS..  trans-69.9161.5163.775.90000110.6Q206 Q207 V208S204-Q206 PolarHBondContact O-N 2.97Å; S204-Q207 PolarHBondContact O-N 3.36Å; S204-Q207 WeakPolarHBondContact OG-CG 3.49Å; S204-Q207 PolarHBondContact OG-N 3.31Å; S204-Q207 PolarHBondContact OG-OE1 3.29Å; S204-V208 WeakPolarHBondContact O-CG2 3.29Å; S204-V208 PolarHBondContact O-N 2.89Å
205P98.6Very high98Very high37 Ų3752.7 Ų52.724%0.2428%0.284CS..Hα-helixtrans-55.8-35.6175.5-2736.9000112.6V208 K209 V220 A221P205-V208 PolarHBondContact O-N 2.72Å; P205-K209 WeakPolarHBondContact O-CB 3.45Å; P205-K209 PolarHBondContact O-N 3.5Å; P205-V220 HydrophobicContact CG-CG1 4.5Å; P205-V220 WeakPolarHBondContact CG-O 3.18Å; P205-A221 WeakPolarHBondContact CD-O 3.39Å
206Q98.6Very high98.1Very high133 Ų13348.9 Ų48.962%0.62126%0.256SS*.Hα-helixtrans-63.9-47.6174.9-177.1-178.8-10.700111.7S204 V208 K209 E210S204-Q206 PolarHBondContact O-N 2.97Å; Q206-V208 VanDerWaalsContact C-N 3.3Å; Q206-V208 PolarHBondContact O-N 2.64Å; Q206-K209 PolarHBondContact O-N 3.37Å; Q206-K209 VanDerWaalsContact O-N 3.14Å; Q206-E210 HydrophobicContact CG-CG 4.46Å; Q206-E210 WeakPolarHBondContact CG-OE1 3.36Å; Q206-E210 PolarHBondContact NE2-OE1 3.43Å; Q206-E210 WeakPolarHBondContact O-CG 3.33Å; Q206-E210 PolarHBondContact O-N 3.15Å
207Q98.6Very high98.1Very high89 Ų8949.7 Ų49.742%0.41626%0.259SS..Hα-helixtrans-64.1-36.4178.4-71172.1-49.600112F203 S204 E210 K211F203-Q207 HydrophobicContact CB-CB 3.94Å; F203-Q207 HydrophobicContact CD1-CB 4.43Å; F203-Q207 HydrophobicContact CG-CB 4.24Å; S204-Q207 PolarHBondContact O-N 3.36Å; S204-Q207 WeakPolarHBondContact OG-CG 3.49Å; S204-Q207 PolarHBondContact OG-N 3.31Å; S204-Q207 PolarHBondContact OG-OE1 3.29Å; Q207-E210 PolarHBondContact O-N 2.92Å; Q207-K211 WeakPolarHBondContact O-CB 3.27Å; Q207-K211 PolarHBondContact O-N 3.04Å
208V98.4Very high98.1Very high0 Ų054.7 Ų54.70%027%0.273CS..Hα-helixtrans-60.3-47.4171.81720000110.5F203 S204 P205 Q206 K211 F212 I215 T217 A223F203-V208 HydrophobicContact CB-CG2 3.71Å; F203-V208 HydrophobicContact CD2-CG2 4.4Å; S204-V208 WeakPolarHBondContact O-CG2 3.29Å; S204-V208 PolarHBondContact O-N 2.89Å; P205-V208 PolarHBondContact O-N 2.72Å; Q206-V208 VanDerWaalsContact C-N 3.3Å; Q206-V208 PolarHBondContact O-N 2.64Å; V208-K211 PolarHBondContact O-N 2.73Å; V208-F212 HydrophobicContact CG1-CD2 4.5Å; V208-F212 WeakPolarHBondContact O-CA 3.33Å; V208-F212 WeakPolarHBondContact O-CB 3.19Å; V208-F212 PolarHBondContact O-N 2.83Å; V208-I215 HydrophobicContact CG1-CD1 3.89Å; V208-I215 HydrophobicContact CG1-CG2 3.67Å; V208-T217 HydrophobicContact CB-CG2 4.28Å; V208-T217 HydrophobicContact CG1-CG2 3.92Å; V208-A223 HydrophobicContact CG2-CB 3.46Å; V208-A223 VanDerWaalsContact CG2-CB 3.46Å
209K98.1Very high98.1Very high89 Ų8956.9 Ų56.939%0.38730%0.295SS..Hα-helixtrans-66-37.8179.2-171.159.7166.7178.40112.8P205 Q206 F212 P213 I215 T217P205-K209 WeakPolarHBondContact O-CB 3.45Å; P205-K209 PolarHBondContact O-N 3.5Å; Q206-K209 PolarHBondContact O-N 3.37Å; Q206-K209 VanDerWaalsContact O-N 3.14Å; K209-F212 CarbonylContact O-C 3.47Å; K209-P213 WeakPolarHBondContact CE-O 3.4Å; K209-P213 PolarHBondContact NZ-O 3.17Å; K209-P213 VanDerWaalsContact O-CA 3.23Å; K209-P213 WeakPolarHBondContact O-CA 3.38Å; K209-I215 WeakPolarHBondContact CD-O 3.21Å; K209-I215 PolarHBondContact NZ-O 3.28Å; K209-T217 HydrophobicContact CB-CG2 4.06Å; K209-T217 HydrophobicContact CD-CG2 4.47Å
210E98.1Very high98.1Very high122 Ų12253.3 Ų53.357%0.5728%0.281SS*.Hα-helixtrans-64.6-43.7175.7-74.6170.3-174.400111.5Q206 Q207Q206-E210 HydrophobicContact CG-CG 4.46Å; Q206-E210 WeakPolarHBondContact CG-OE1 3.36Å; Q206-E210 PolarHBondContact NE2-OE1 3.43Å; Q206-E210 WeakPolarHBondContact O-CG 3.33Å; Q206-E210 PolarHBondContact O-N 3.15Å; Q207-E210 PolarHBondContact O-N 2.92Å
211K97.4Very high98.1Very high92 Ų9254.3 Ų54.340%0.429%0.289SS..Hα-helixtrans-76.4-37.7-179.9-172.9173.5175.360.60113.1F203 Q207 V208 Y225F203-K211 HydrophobicContact CE2-CD 3.66Å; F203-K211 HydrophobicContact CZ-CD 4.2Å; Q207-K211 WeakPolarHBondContact O-CB 3.27Å; Q207-K211 PolarHBondContact O-N 3.04Å; V208-K211 PolarHBondContact O-N 2.73Å; K211-Y225 VanDerWaalsContact CE-CE1 3.47Å
212F97.6Very high98.1Very high1 Ų153.6 Ų53.60%0.00428%0.283CS..  trans-126.375.1-176.7-54.8-63.2000110.3L175 V208 K209 W214 I215 Y225 D353 P355L175-F212 HydrophobicContact CD1-CE2 4.39Å; L175-F212 HydrophobicContact CD2-CD2 3.89Å; L175-F212 HydrophobicContact CD2-CE2 3.78Å; V208-F212 HydrophobicContact CG1-CD2 4.5Å; V208-F212 WeakPolarHBondContact O-CA 3.33Å; V208-F212 WeakPolarHBondContact O-CB 3.19Å; V208-F212 PolarHBondContact O-N 2.83Å; K209-F212 CarbonylContact O-C 3.47Å; F212-W214 HydrophobicContact CB-CD2 4.4Å; F212-W214 HydrophobicContact CB-CH2 4.42Å; F212-W214 HydrophobicContact CB-CZ2 3.82Å; F212-W214 AromaticContact CD1-CZ2 3.81Å; F212-W214 HydrophobicContact CD1-CZ2 3.81Å; F212-W214 AromaticContact CG-CZ2 3.98Å; F212-W214 HydrophobicContact CG-CZ2 3.98Å; F212-W214 PolarHBondContact O-N 3.39Å; F212-I215 HydrophobicContact CB-CB 4.33Å; F212-I215 HydrophobicContact CB-CG2 4.12Å; F212-I215 WeakPolarHBondContact O-CB 3.01Å; F212-I215 WeakPolarHBondContact O-CG2 3.36Å; F212-I215 PolarHBondContact O-N 2.88Å; F212-Y225 HydrophobicContact CZ-CE2 4.18Å; F212-D353 WeakPolarHBondContact CE1-O 3.34Å; F212-P355 HydrophobicContact CE1-CG 4.23Å; F212-P355 HydrophobicContact CE2-CG 4.37Å; F212-P355 HydrophobicContact CZ-CG 3.94Å
213P96.9Very high98.1Very high83 Ų8351.7 Ų51.754%0.53927%0.273SS..THydrogen-bonded Turntrans-58.7-23-172.3-27.336.2000115.2K209 I215K209-P213 WeakPolarHBondContact CE-O 3.4Å; K209-P213 PolarHBondContact NZ-O 3.17Å; K209-P213 VanDerWaalsContact O-CA 3.23Å; K209-P213 WeakPolarHBondContact O-CA 3.38Å; P213-I215 VanDerWaalsContact C-N 3.29Å; P213-I215 PolarHBondContact O-N 2.89Å
214W96.9Very high98.1Very high52 Ų5250.5 Ų50.520%0.19727%0.268CS..THydrogen-bonded Turntrans-72.5-16.7177.750.5-101.1000114F212 P350 L357 F365 V410 P411F212-W214 HydrophobicContact CB-CD2 4.4Å; F212-W214 HydrophobicContact CB-CH2 4.42Å; F212-W214 HydrophobicContact CB-CZ2 3.82Å; F212-W214 AromaticContact CD1-CZ2 3.81Å; F212-W214 HydrophobicContact CD1-CZ2 3.81Å; F212-W214 AromaticContact CG-CZ2 3.98Å; F212-W214 HydrophobicContact CG-CZ2 3.98Å; F212-W214 PolarHBondContact O-N 3.39Å; W214-P350 HydrophobicContact CD2-CB 3.85Å; W214-P350 HydrophobicContact CD2-CG 3.74Å; W214-P350 HydrophobicContact CE3-CB 4.2Å; W214-P350 HydrophobicContact CE3-CG 3.65Å; W214-P350 HydrophobicContact CG-CB 4.28Å; W214-P350 HydrophobicContact CG-CG 4.29Å; W214-P350 HydrophobicContact CH2-CB 4.39Å; W214-P350 HydrophobicContact CH2-CG 4.35Å; W214-P350 HydrophobicContact CZ2-CB 4.03Å; W214-P350 HydrophobicContact CZ2-CG 4.42Å; W214-P350 HydrophobicContact CZ3-CB 4.46Å; W214-P350 HydrophobicContact CZ3-CG 3.97Å; W214-L357 HydrophobicContact CH2-CD1 4.09Å; W214-L357 HydrophobicContact CZ3-CD1 4.19Å; W214-F365 AromaticContact CH2-CZ 3.91Å; W214-F365 HydrophobicContact CH2-CZ 3.91Å; W214-F365 HydrophobicContact CZ3-CE1 4.49Å; W214-F365 AromaticContact CZ3-CZ 3.81Å; W214-F365 HydrophobicContact CZ3-CZ 3.81Å; W214-V410 HydrophobicContact CE3-CG1 4.18Å; W214-V410 HydrophobicContact CE3-CG2 3.91Å; W214-V410 HydrophobicContact CZ3-CG2 3.72Å; W214-P411 WeakPolarHBondContact O-CD 3.28Å
215I97.9Very high98.1Very high0 Ų049.5 Ų49.50%026%0.258CS..SBendtrans-80.6137.6-176.3-155.8175000110.9L175 L177 V208 K209 F212 P213 T217 L357 R409L175-I215 HydrophobicContact CD2-CD1 4.21Å; L177-I215 HydrophobicContact CD1-CD1 4Å; L177-I215 HydrophobicContact CD2-CD1 4.43Å; V208-I215 HydrophobicContact CG1-CD1 3.89Å; V208-I215 HydrophobicContact CG1-CG2 3.67Å; K209-I215 WeakPolarHBondContact CD-O 3.21Å; K209-I215 PolarHBondContact NZ-O 3.28Å; F212-I215 HydrophobicContact CB-CB 4.33Å; F212-I215 HydrophobicContact CB-CG2 4.12Å; F212-I215 WeakPolarHBondContact O-CB 3.01Å; F212-I215 WeakPolarHBondContact O-CG2 3.36Å; F212-I215 PolarHBondContact O-N 2.88Å; P213-I215 VanDerWaalsContact C-N 3.29Å; P213-I215 PolarHBondContact O-N 2.89Å; I215-T217 HydrophobicContact CG2-CG2 3.72Å; I215-L357 HydrophobicContact CD1-CD1 3.65Å; I215-L357 HydrophobicContact CG1-CD1 4.39Å; I215-R409 HydrophobicContact CG1-CG 4.23Å
216N98.5Very high98.1Very high37 Ų3747.8 Ų47.820%0.19825%0.246CC..  trans-79.1128.5162.3-176.79.1000108E218 N408 R409 P411N216-E218 WeakPolarHBondContact OD1-CB 3.46Å; N216-E218 PolarHBondContact OD1-N 3.01Å; N216-E218 VanDerWaalsContact OD1-N 3.07Å; N216-N408 WeakPolarHBondContact CB-O 3.4Å; N216-N408 PolarHBondContact ND2-O 2.86Å; N216-R409 PolarHBondContact N-O 2.68Å; N216-R409 WeakPolarHBondContact O-CD 3.47Å; N216-R409 PolarHBondContact O-NH1 3.47Å; N216-P411 HydrophobicContact CB-CG 4.24Å
217T98.4Very high98Very high34 Ų3446 Ų4621%0.20924%0.24CC..  trans-1066.3-18056.60000112.9V208 K209 I215 G219 V220V208-T217 HydrophobicContact CB-CG2 4.28Å; V208-T217 HydrophobicContact CG1-CG2 3.92Å; K209-T217 HydrophobicContact CB-CG2 4.06Å; K209-T217 HydrophobicContact CD-CG2 4.47Å; I215-T217 HydrophobicContact CG2-CG2 3.72Å; T217-G219 PolarHBondContact O-N 2.99Å; T217-V220 WeakPolarHBondContact O-CB 2.83Å; T217-V220 PolarHBondContact O-N 3.21Å; T217-V220 VanDerWaalsContact O-N 3.12Å
218E98.3Very high97.8Very high141 Ų14145.8 Ų45.866%0.65924%0.239SC*.THydrogen-bonded Turntrans-56.6136.4172.3-169.9174.3-176.400110.5N216 V220 R409N216-E218 WeakPolarHBondContact OD1-CB 3.46Å; N216-E218 PolarHBondContact OD1-N 3.01Å; N216-E218 VanDerWaalsContact OD1-N 3.07Å; E218-V220 PolarHBondContact O-N 3.27Å; E218-V220 VanDerWaalsContact O-N 3.16Å; E218-R409 PolarHBondContact O-NH1 3.35Å; E218-R409 VanDerWaalsContact O-NH1 3.16Å
219G97.4Very high97.6Very high46 Ų4647 Ų4747%0.47425%0.246SC..THydrogen-bonded Turntrans71.8-5.1-176.700000116T217 Y360T217-G219 PolarHBondContact O-N 2.99Å; G219-Y360 WeakPolarHBondContact CA-OH 3.21Å; G219-Y360 WeakPolarHBondContact O-CE1 3.05Å; G219-Y360 PolarHBondContact O-OH 3.01Å
220V98.5Very high97.6Very high12 Ų1242.9 Ų42.97%0.07323%0.228CC..  trans-83.1124.2174.5-175.30000108.8L177 P205 T217 E218 L222 Y360 R409L177-V220 HydrophobicContact CB-CG1 4.38Å; L177-V220 HydrophobicContact CB-CG2 4.37Å; L177-V220 HydrophobicContact CD1-CG2 4.21Å; L177-V220 HydrophobicContact CD2-CG1 4.29Å; P205-V220 HydrophobicContact CG-CG1 4.5Å; P205-V220 WeakPolarHBondContact CG-O 3.18Å; T217-V220 WeakPolarHBondContact O-CB 2.83Å; T217-V220 PolarHBondContact O-N 3.21Å; T217-V220 VanDerWaalsContact O-N 3.12Å; E218-V220 PolarHBondContact O-N 3.27Å; E218-V220 VanDerWaalsContact O-N 3.16Å; V220-L222 WeakPolarHBondContact CG1-O 3.49Å; V220-Y360 HydrophobicContact CG2-CE1 4.17Å; V220-R409 VanDerWaalsContact CG2-CZ 3.49Å
221A98.4Very high97.5Very high24 Ų2437 Ų3720%0.19820%0.201CC..  trans-96.5-36.9172.500000111.6A178 E180 A183 P205A178-A221 PolarHBondContact O-N 3.02Å; E180-A221 HydrophobicContact CB-CB 4.25Å; E180-A221 VanDerWaalsContact OE2-CB 3.28Å; E180-A221 WeakPolarHBondContact OE2-CB 3Å; A183-A221 HydrophobicContact CB-CB 4.07Å; P205-A221 WeakPolarHBondContact CD-O 3.39Å
222L98.5Very high97.5Very high20 Ų2033 Ų3311%0.10518%0.183CC..EExtended strand (participates in β ladder)trans-150.8155-177.1-169.865.2000110.2A178 A183 M186 E187 L202 V220A178-L222 HydrophobicContact CB-CB 4.36Å; A178-L222 PolarHBondContact N-O 3.43Å; A178-L222 PolarHBondContact O-N 3.13Å; A183-L222 HydrophobicContact CB-CB 4.09Å; M186-L222 HydrophobicContact CB-CD2 4.2Å; M186-L222 HydrophobicContact CG-CD2 4.02Å; M186-L222 HydrophobicContact SD-CB 4.23Å; M186-L222 HydrophobicContact SD-CD2 4.02Å; M186-L222 HydrophobicContact SD-CG 3.97Å; E187-L222 HydrophobicContact CG-CD2 3.62Å; L202-L222 HydrophobicContact CB-CD1 4.23Å; L202-L222 HydrophobicContact CD1-CD2 4.19Å; L202-L222 HydrophobicContact CD2-CD2 4.02Å; L202-L222 HydrophobicContact CD2-CG 4.22Å; V220-L222 WeakPolarHBondContact CG1-O 3.49Å
223A98.6Very high97.5Very high0 Ų033.1 Ų33.10%018%0.184CC..EExtended strand (participates in β ladder)trans-134.3149.6169.400000111.6L175 F176 L177 L202 F203 V208L175-A223 HydrophobicContact CD1-CB 3.95Å; F176-A223 CarbonylContact O-C 3.5Å; F176-A223 WeakPolarHBondContact O-CA 3.35Å; F176-A223 WeakPolarHBondContact O-CB 3.48Å; L177-A223 HydrophobicContact CD2-CB 3.66Å; L202-A223 CarbonylContact C-O 3.46Å; L202-A223 VanDerWaalsContact CA-O 3.26Å; L202-A223 WeakPolarHBondContact CA-O 3.34Å; F203-A223 HydrophobicContact CB-CB 4.44Å; F203-A223 PolarHBondContact N-O 2.96Å; F203-A223 PolarHBondContact O-N 3.11Å; V208-A223 HydrophobicContact CG2-CB 3.46Å; V208-A223 VanDerWaalsContact CG2-CB 3.46Å
224S98.4Very high97.5Very high3 Ų331.8 Ų31.82%0.02117%0.172CC..EExtended strand (participates in β ladder)trans-116.7125.9171.8177.80000109.5Q133 L175 F176Q133-S224 PolarHBondContact OE1-O 3.28Å; Q133-S224 PolarHBondContact OE1-OG 2.82Å; L175-S224 WeakPolarHBondContact CA-O 3.45Å; F176-S224 PolarHBondContact N-O 2.96Å; F176-S224 PolarHBondContact O-N 3.49Å
225Y98.4Very high97.5Very high25 Ų2529.7 Ų29.710%0.09817%0.165CC..EExtended strand (participates in β ladder)trans-121.1126.6-176.5-177-122.8000111.9S172 Y174 L175 V200 S201 F203 K211 F212 L227 P355S172-Y225 PolarHBondContact O-OH 2.85Å; Y174-Y225 CarbonylContact O-C 3.51Å; Y174-Y225 WeakPolarHBondContact O-CA 3.25Å; Y174-Y225 WeakPolarHBondContact O-CD2 3.4Å; L175-Y225 HydrophobicContact CB-CD2 4.11Å; L175-Y225 HydrophobicContact CD1-CD2 4.13Å; L175-Y225 HydrophobicContact CD1-CG 4.36Å; V200-Y225 CarbonylContact C-O 3.54Å; V200-Y225 WeakPolarHBondContact CA-O 3.48Å; S201-Y225 PolarHBondContact N-O 2.8Å; S201-Y225 PolarHBondContact O-N 2.97Å; F203-Y225 AromaticContact CE2-CD1 3.64Å; F203-Y225 HydrophobicContact CE2-CD1 3.64Å; F203-Y225 AromaticContact CE2-CG 3.85Å; F203-Y225 HydrophobicContact CE2-CG 3.85Å; F203-Y225 AromaticContact CZ-CD1 3.86Å; F203-Y225 HydrophobicContact CZ-CD1 3.86Å; F203-Y225 HydrophobicContact CZ-CG 4.41Å; K211-Y225 VanDerWaalsContact CE-CE1 3.47Å; F212-Y225 HydrophobicContact CZ-CE2 4.18Å; Y225-L227 HydrophobicContact CD1-CD2 3.75Å; Y225-L227 HydrophobicContact CE1-CD2 4.01Å; Y225-P355 HydrophobicContact CD2-CB 4.48Å; Y225-P355 HydrophobicContact CE2-CB 3.84Å
226G97.8Very high97.5Very high0 Ų034.7 Ų34.70%018%0.184CC..EExtended strand (participates in β ladder)trans-74.1127171.700000113.4Y174 E230Y174-G226 PolarHBondContact O-N 3.03Å; G226-E230 WeakPolarHBondContact CA-OE2 3.28Å
227L96.5Very high97.5Very high95 Ų9534.3 Ų34.350%0.49718%0.184SC..  trans-97.2-31-178.5-55.9177.2000112.9K199 Y225K199-L227 HydrophobicContact CB-CB 4.25Å; K199-L227 WeakPolarHBondContact O-CB 3.12Å; K199-L227 PolarHBondContact O-N 2.93Å; Y225-L227 HydrophobicContact CD1-CD2 3.75Å; Y225-L227 HydrophobicContact CE1-CD2 4.01Å
228E95.4Very high97.5Very high85 Ų8532.7 Ų32.740%0.39717%0.174SC..SBendtrans-142.5157.9-179.5-59.7180-148.500110Q132 K199 E230Q132-E228 PolarHBondContact OE1-O 3.37Å; K199-E228 HydrophobicContact CB-CB 3.88Å; K199-E228 HydrophobicContact CB-CG 4.03Å; K199-E228 HydrophobicContact CG-CB 4.04Å; K199-E228 HydrophobicContact CG-CG 4.11Å; E228-E230 WeakPolarHBondContact O-CG 3.1Å; E228-E230 PolarHBondContact O-N 3.12Å
229N94.4Very high97.5Very high27 Ų2726 Ų2614%0.14414%0.143CC..SBendtrans60.49.9176.4-71.1-31.3000115.9Q132 A147 R151Q132-N229 PolarHBondContact NE2-O 3.34Å; Q132-N229 VanDerWaalsContact OE1-CB 3.3Å; A147-N229 HydrophobicContact CB-CB 3.63Å; R151-N229 PolarHBondContact NE-OD1 3.27Å; R151-N229 PolarHBondContact NH2-OD1 3.4Å
230E97Very high97.5Very high1 Ų124.5 Ų24.51%0.00512%0.124CC..  trans-120.3149.2179.9-55.5-160.5155.500111.8I130 Q132 Q133 G173 Y174 G226 E228I130-E230 VanDerWaalsContact O-CA 3.29Å; I130-E230 WeakPolarHBondContact O-CA 3.4Å; Q132-E230 PolarHBondContact N-OE1 3.35Å; Q133-E230 WeakPolarHBondContact CG-OE1 3.37Å; Q133-E230 PolarHBondContact N-OE1 3.12Å; Q133-E230 PolarHBondContact NE2-OE2 2.66Å; G173-E230 WeakPolarHBondContact CA-O 3.45Å; G173-E230 PolarHBondContact N-O 3.09Å; Y174-E230 WeakPolarHBondContact CB-OE2 3.48Å; Y174-E230 HydrophobicContact CD2-CB 4.29Å; G226-E230 WeakPolarHBondContact CA-OE2 3.28Å; E228-E230 WeakPolarHBondContact O-CG 3.1Å; E228-E230 PolarHBondContact O-N 3.12Å
231G96.9Very high97.5Very high0 Ų024 Ų240%012%0.121CC..EExtended strand (participates in β ladder)trans147.9-144.1-177.200000111.2I130 N170 Y174I130-G231 WeakPolarHBondContact CG2-O 3.24Å; I130-G231 PolarHBondContact N-O 3.49Å; I130-G231 PolarHBondContact O-N 3.47Å; N170-G231 VanDerWaalsContact O-CA 3.3Å; N170-G231 WeakPolarHBondContact O-CA 3.23Å; Y174-G231 WeakPolarHBondContact CE2-O 3.48Å
232W97.4Very high97.5Very high7 Ų722.9 Ų22.93%0.02711%0.112CC..EExtended strand (participates in β ladder)trans-144.1159176.360.994.3000112.1G128 F169 N170 F356 R366 R367G128-W232 CarbonylContact O-C 3.49Å; G128-W232 WeakPolarHBondContact O-CA 3.41Å; G128-W232 VanDerWaalsContact O-CB 3.28Å; G128-W232 WeakPolarHBondContact O-CB 3.17Å; F169-W232 CarbonylContact C-O 3.6Å; F169-W232 WeakPolarHBondContact CA-O 3.42Å; F169-W232 VanDerWaalsContact CD2-O 3.28Å; F169-W232 WeakPolarHBondContact CD2-O 3.45Å; N170-W232 HydrophobicContact CB-CD2 3.79Å; N170-W232 HydrophobicContact CB-CE3 4.41Å; N170-W232 HydrophobicContact CB-CG 4.19Å; N170-W232 HydrophobicContact CB-CH2 4.22Å; N170-W232 HydrophobicContact CB-CZ2 3.57Å; N170-W232 PolarHBondContact N-O 3.01Å; N170-W232 PolarHBondContact O-N 2.91Å; N170-W232 VanDerWaalsContact O-N 3.15Å; W232-F356 HydrophobicContact CB-CD1 4.23Å; W232-F356 HydrophobicContact CE3-CB 4.05Å; W232-F356 HydrophobicContact CE3-CD1 4.11Å; W232-F356 HydrophobicContact CZ3-CB 4.27Å; W232-R366 HydrophobicContact CD2-CB 4.27Å; W232-R366 HydrophobicContact CD2-CG 4.48Å; W232-R366 HydrophobicContact CE3-CB 4.1Å; W232-R366 HydrophobicContact CZ3-CB 4.22Å; W232-R367 HydrophobicContact CH2-CB 4.35Å; W232-R367 HydrophobicContact CZ2-CB 4Å
233F97.1Very high97.5Very high3 Ų324.3 Ų24.31%0.01312%0.116CC..  trans-139.5171177.859.3-86000110.3G128 I130 M150 L167 F169 P235 L238 L457G128-F233 WeakPolarHBondContact CA-O 3.3Å; G128-F233 WeakPolarHBondContact O-CD1 3.28Å; G128-F233 PolarHBondContact O-N 3.33Å; I130-F233 HydrophobicContact CB-CD1 4.42Å; I130-F233 HydrophobicContact CB-CE1 4.12Å; I130-F233 HydrophobicContact CG2-CD1 4.2Å; I130-F233 HydrophobicContact CG2-CE1 4.39Å; M150-F233 HydrophobicContact CE-CE1 4.12Å; M150-F233 HydrophobicContact CE-CZ 4.43Å; M150-F233 HydrophobicContact SD-CD1 4.13Å; M150-F233 HydrophobicContact SD-CE1 3.71Å; M150-F233 HydrophobicContact SD-CE2 4.23Å; M150-F233 HydrophobicContact SD-CZ 3.75Å; L167-F233 HydrophobicContact CB-CB 4.17Å; L167-F233 WeakPolarHBondContact O-CB 3.47Å; F169-F233 HydrophobicContact CB-CB 4.46Å; F169-F233 HydrophobicContact CD2-CB 4.1Å; F233-P235 VanDerWaalsContact O-CD 3.27Å; F233-P235 WeakPolarHBondContact O-CD 3.23Å; F233-L238 HydrophobicContact CD2-CB 4.24Å; F233-L238 HydrophobicContact CE2-CB 3.78Å; F233-L238 HydrophobicContact CE2-CD2 3.48Å; F233-L238 VanDerWaalsContact CE2-CD2 3.48Å; F233-L238 HydrophobicContact CE2-CG 4.24Å; F233-L238 HydrophobicContact CZ-CD2 3.73Å; F233-L457 HydrophobicContact CE2-CD1 4.15Å; F233-L457 HydrophobicContact CE2-CD2 4.16Å; F233-L457 HydrophobicContact CE2-CG 4.15Å; F233-L457 HydrophobicContact CZ-CD1 4.18Å; F233-L457 HydrophobicContact CZ-CD2 3.97Å; F233-L457 HydrophobicContact CZ-CG 3.77Å
234D97.3Very high97.5Very high55 Ų5528.5 Ų28.529%0.29413%0.132SC..  trans-77.4113.2173.7174.141000111.3L167 Q168 W236 S237 L238L167-D234 PolarHBondContact O-N 3.4Å; Q168-D234 HydrophobicContact CB-CB 4.25Å; D234-W236 PolarHBondContact O-N 3.05Å; D234-W236 PolarHBondContact OD1-N 2.94Å; D234-S237 PolarHBondContact O-N 3.27Å; D234-S237 WeakPolarHBondContact OD2-CB 2.92Å; D234-S237 PolarHBondContact OD2-N 3.18Å; D234-S237 PolarHBondContact OD2-OG 3.15Å; D234-L238 PolarHBondContact O-N 2.91Å
235P97.4Very high97.5Very high8 Ų830.1 Ų30.15%0.05214%0.138CC..Hα-helixtrans-62.8-31.3-179.1-20.132.3000113.4T123 F233 L238 L239 L457T123-P235 WeakPolarHBondContact O-CB 3.28Å; F233-P235 VanDerWaalsContact O-CD 3.27Å; F233-P235 WeakPolarHBondContact O-CD 3.23Å; P235-L238 PolarHBondContact O-N 2.73Å; P235-L239 WeakPolarHBondContact O-CB 3.45Å; P235-L239 PolarHBondContact O-N 3.16Å; P235-L457 HydrophobicContact CB-CD1 4.08Å; P235-L457 HydrophobicContact CB-CD2 3.7Å; P235-L457 HydrophobicContact CG-CD2 3.71Å
236W97.4Very high97.5Very high106 Ų10629 Ų2940%0.40213%0.134SC..Hα-helixtrans-65.8-41.7179.4178.3-111.6000111.5Y118 V124 D234 L239 N240Y118-W236 HydrophobicContact CD2-CH2 4.24Å; Y118-W236 AromaticContact CD2-CZ3 3.98Å; Y118-W236 HydrophobicContact CD2-CZ3 3.98Å; Y118-W236 HydrophobicContact CG-CZ3 4.02Å; V124-W236 HydrophobicContact CG1-CE3 3.58Å; V124-W236 HydrophobicContact CG1-CZ3 4.05Å; D234-W236 PolarHBondContact O-N 3.05Å; D234-W236 PolarHBondContact OD1-N 2.94Å; W236-L239 HydrophobicContact CE3-CD2 4.07Å; W236-L239 HydrophobicContact CZ3-CD2 4.11Å; W236-L239 PolarHBondContact O-N 2.97Å; W236-N240 VanDerWaalsContact CD2-ND2 3.31Å; W236-N240 VanDerWaalsContact CZ2-ND2 3.34Å; W236-N240 WeakPolarHBondContact CZ2-ND2 3.12Å; W236-N240 PolarHBondContact NE1-ND2 2.94Å; W236-N240 WeakPolarHBondContact O-CB 3.28Å; W236-N240 PolarHBondContact O-N 3.18Å; W236-N240 PolarHBondContact O-ND2 2.77Å
237S97.7Very high97.4Very high28 Ų2832.8 Ų32.820%0.19615%0.152CC..Hα-helixtrans-61.3-45175.6-67.80000112.1D166 D234 N240 A241D166-S237 WeakPolarHBondContact O-CB 3.26Å; D166-S237 PolarHBondContact O-OG 2.8Å; D234-S237 PolarHBondContact O-N 3.27Å; D234-S237 WeakPolarHBondContact OD2-CB 2.92Å; D234-S237 PolarHBondContact OD2-N 3.18Å; D234-S237 PolarHBondContact OD2-OG 3.15Å; S237-N240 PolarHBondContact O-N 3.15Å; S237-A241 VanDerWaalsContact O-CB 3.29Å; S237-A241 WeakPolarHBondContact O-CB 3.33Å; S237-A241 PolarHBondContact O-N 3.4Å
238L98.5Very high97.4Very high0 Ų031.4 Ų31.40%015%0.151CC..Hα-helixtrans-63.9-47.4176.8-176.463.5000112V88 M150 I153 L167 F233 D234 P235 N240 A241 F242 L457V88-L238 HydrophobicContact CG2-CD2 3.92Å; V88-L238 HydrophobicContact CG2-CG 3.96Å; M150-L238 HydrophobicContact CG-CD1 4.31Å; M150-L238 HydrophobicContact SD-CD1 4.46Å; M150-L238 HydrophobicContact SD-CD2 4.06Å; I153-L238 HydrophobicContact CD1-CD1 3.9Å; L167-L238 HydrophobicContact CD2-CB 3.85Å; L167-L238 HydrophobicContact CD2-CD1 4.07Å; F233-L238 HydrophobicContact CD2-CB 4.24Å; F233-L238 HydrophobicContact CE2-CB 3.78Å; F233-L238 HydrophobicContact CE2-CD2 3.48Å; F233-L238 VanDerWaalsContact CE2-CD2 3.48Å; F233-L238 HydrophobicContact CE2-CG 4.24Å; F233-L238 HydrophobicContact CZ-CD2 3.73Å; D234-L238 PolarHBondContact O-N 2.91Å; P235-L238 PolarHBondContact O-N 2.73Å; L238-N240 VanDerWaalsContact C-N 3.34Å; L238-N240 PolarHBondContact O-N 3.28Å; L238-A241 PolarHBondContact O-N 3.38Å; L238-F242 HydrophobicContact CD1-CD2 3.91Å; L238-F242 HydrophobicContact CD1-CE2 3.61Å; L238-F242 HydrophobicContact CD2-CE2 4.42Å; L238-F242 HydrophobicContact CG-CD2 4.01Å; L238-F242 HydrophobicContact CG-CE2 3.94Å; L238-F242 WeakPolarHBondContact O-CD2 3.47Å; L238-F242 PolarHBondContact O-N 3.37Å; L238-F242 VanDerWaalsContact O-N 3.07Å; L238-L457 HydrophobicContact CD2-CD1 4.19Å
239L98.4Very high97.4Very high0 Ų029.7 Ų29.70%014%0.144CC..Hα-helixtrans-54.5-50.5176.5172.461000111.4Y118 T123 V124 P235 W236 F242 R243Y118-L239 HydrophobicContact CD1-CD2 3.74Å; Y118-L239 HydrophobicContact CE1-CD1 4.45Å; Y118-L239 HydrophobicContact CE1-CD2 3.95Å; Y118-L239 HydrophobicContact CG-CD2 4.07Å; T123-L239 HydrophobicContact CG2-CB 3.95Å; T123-L239 HydrophobicContact CG2-CD1 4.47Å; T123-L239 HydrophobicContact CG2-CD2 4.12Å; T123-L239 HydrophobicContact CG2-CG 4.41Å; V124-L239 HydrophobicContact CG1-CD2 3.86Å; P235-L239 WeakPolarHBondContact O-CB 3.45Å; P235-L239 PolarHBondContact O-N 3.16Å; W236-L239 HydrophobicContact CE3-CD2 4.07Å; W236-L239 HydrophobicContact CZ3-CD2 4.11Å; W236-L239 PolarHBondContact O-N 2.97Å; L239-F242 PolarHBondContact O-N 2.76Å; L239-R243 WeakPolarHBondContact O-CB 3.31Å; L239-R243 PolarHBondContact O-N 3.31Å
240N97.9Very high97.4Very high16 Ų1630.7 Ų30.79%0.08616%0.16CC..Hα-helixtrans-70.2-32.2-178.2-78.9-35.3000113.1W236 S237 L238 R243 R244W236-N240 VanDerWaalsContact CD2-ND2 3.31Å; W236-N240 VanDerWaalsContact CZ2-ND2 3.34Å; W236-N240 WeakPolarHBondContact CZ2-ND2 3.12Å; W236-N240 PolarHBondContact NE1-ND2 2.94Å; W236-N240 WeakPolarHBondContact O-CB 3.28Å; W236-N240 PolarHBondContact O-N 3.18Å; W236-N240 PolarHBondContact O-ND2 2.77Å; S237-N240 PolarHBondContact O-N 3.15Å; L238-N240 VanDerWaalsContact C-N 3.34Å; L238-N240 PolarHBondContact O-N 3.28Å; N240-R243 PolarHBondContact OD1-NE 3.35Å; N240-R243 PolarHBondContact OD1-NH1 3.05Å; N240-R243 PolarHBondContact OD1-NH2 3.37Å; N240-R244 VanDerWaalsContact O-CB 3.29Å; N240-R244 WeakPolarHBondContact O-CB 3.19Å; N240-R244 VanDerWaalsContact O-CG 3.24Å; N240-R244 WeakPolarHBondContact O-CG 3.38Å; N240-R244 PolarHBondContact O-N 3.2Å; N240-R244 PolarHBondContact O-NE 3.02Å
241A98.5Very high97.4Very high1 Ų131 Ų311%0.00816%0.162CC..Hα-helixtrans-61.9-50.1173.800000110.7I153 L157 V165 S237 L238 K245I153-A241 HydrophobicContact CD1-CB 4.39Å; L157-A241 HydrophobicContact CB-CB 4.2Å; L157-A241 HydrophobicContact CD1-CB 3.74Å; V165-A241 HydrophobicContact CB-CB 4.42Å; V165-A241 HydrophobicContact CG1-CB 3.61Å; V165-A241 HydrophobicContact CG2-CB 3.87Å; S237-A241 VanDerWaalsContact O-CB 3.29Å; S237-A241 WeakPolarHBondContact O-CB 3.33Å; S237-A241 PolarHBondContact O-N 3.4Å; L238-A241 PolarHBondContact O-N 3.38Å; A241-K245 VanDerWaalsContact O-CB 3.27Å; A241-K245 WeakPolarHBondContact O-CB 3.43Å; A241-K245 PolarHBondContact O-N 3.03Å
242F98.8Very high97.4Very high0 Ų033.7 Ų33.70%018%0.176CC..Hα-helixtrans-61.3-47.7175.9-84.5-64.2000111.8V88 W91 Y95 F149 L157 L238 L239 K245 A246 P461V88-F242 HydrophobicContact CG2-CD2 3.9Å; V88-F242 HydrophobicContact CG2-CE2 4.2Å; W91-F242 HydrophobicContact CB-CB 3.77Å; Y95-F242 HydrophobicContact CD1-CD1 4.05Å; Y95-F242 AromaticContact CD1-CE1 3.74Å; Y95-F242 HydrophobicContact CD1-CE1 3.74Å; Y95-F242 HydrophobicContact CE1-CE1 4.37Å; Y95-F242 HydrophobicContact CG-CD1 4.04Å; Y95-F242 HydrophobicContact CG-CE1 4.22Å; F149-F242 HydrophobicContact CD1-CZ 4.3Å; F149-F242 AromaticContact CE1-CE1 3.87Å; F149-F242 HydrophobicContact CE1-CE1 3.87Å; F149-F242 HydrophobicContact CE1-CE2 4.3Å; F149-F242 AromaticContact CE1-CZ 3.47Å; F149-F242 HydrophobicContact CE1-CZ 3.47Å; F149-F242 VanDerWaalsContact CE1-CZ 3.47Å; F149-F242 AromaticContact CZ-CE1 3.63Å; F149-F242 HydrophobicContact CZ-CE1 3.63Å; F149-F242 AromaticContact CZ-CZ 3.71Å; F149-F242 HydrophobicContact CZ-CZ 3.71Å; L157-F242 HydrophobicContact CD1-CD1 3.77Å; L157-F242 HydrophobicContact CD1-CD2 4.13Å; L157-F242 HydrophobicContact CD1-CE1 3.91Å; L157-F242 HydrophobicContact CD1-CE2 4.26Å; L157-F242 HydrophobicContact CD1-CG 3.88Å; L157-F242 HydrophobicContact CD1-CZ 4.15Å; L157-F242 HydrophobicContact CD2-CD1 3.69Å; L157-F242 HydrophobicContact CD2-CE1 3.91Å; L157-F242 HydrophobicContact CD2-CG 4.47Å; L157-F242 HydrophobicContact CG-CD1 4.41Å; L157-F242 HydrophobicContact CG-CE1 4.47Å; L238-F242 HydrophobicContact CD1-CD2 3.91Å; L238-F242 HydrophobicContact CD1-CE2 3.61Å; L238-F242 HydrophobicContact CD2-CE2 4.42Å; L238-F242 HydrophobicContact CG-CD2 4.01Å; L238-F242 HydrophobicContact CG-CE2 3.94Å; L238-F242 WeakPolarHBondContact O-CD2 3.47Å; L238-F242 PolarHBondContact O-N 3.37Å; L238-F242 VanDerWaalsContact O-N 3.07Å; L239-F242 PolarHBondContact O-N 2.76Å; F242-K245 PolarHBondContact O-N 3.27Å; F242-A246 WeakPolarHBondContact O-CB 3.34Å; F242-A246 PolarHBondContact O-N 3.01Å; F242-P461 HydrophobicContact CE2-CG 4.15Å; F242-P461 HydrophobicContact CZ-CB 4Å; F242-P461 HydrophobicContact CZ-CG 4.02Å
243R98.4Very high97.3Very high50 Ų5035.3 Ų35.319%0.18918%0.184CC..Hα-helixtrans-56.7-55.2179.9-179.9176.679.9-170.86111.8W91 Y118 L239 N240 K245 A246 M247W91-R243 HydrophobicContact CD2-CB 3.8Å; W91-R243 HydrophobicContact CD2-CG 3.9Å; W91-R243 HydrophobicContact CE3-CB 4.27Å; W91-R243 HydrophobicContact CE3-CG 4.24Å; W91-R243 HydrophobicContact CG-CB 3.98Å; W91-R243 HydrophobicContact CH2-CG 3.97Å; W91-R243 HydrophobicContact CZ2-CB 4.42Å; W91-R243 HydrophobicContact CZ2-CG 3.6Å; W91-R243 HydrophobicContact CZ3-CG 4.26Å; Y118-R243 VanDerWaalsContact CE2-NH1 3.34Å; L239-R243 WeakPolarHBondContact O-CB 3.31Å; L239-R243 PolarHBondContact O-N 3.31Å; N240-R243 PolarHBondContact OD1-NE 3.35Å; N240-R243 PolarHBondContact OD1-NH1 3.05Å; N240-R243 PolarHBondContact OD1-NH2 3.37Å; R243-K245 PolarHBondContact O-N 3.12Å; R243-A246 PolarHBondContact O-N 2.79Å; R243-M247 HydrophobicContact CG-CG 4.49Å; R243-M247 HydrophobicContact CG-SD 3.76Å; R243-M247 WeakPolarHBondContact O-CB 3.34Å; R243-M247 VanDerWaalsContact O-CG 3.24Å; R243-M247 WeakPolarHBondContact O-CG 3.49Å; R243-M247 PolarHBondContact O-N 2.82Å
244R98Very high97.3Very high89 Ų8935.2 Ų35.234%0.33618%0.183SC..Hα-helixtrans-61.2-45.6-178.6-72.1-177-68.1163.8-9.2111.3V159 E162 N240 M247 S248V159-R244 HydrophobicContact CG2-CB 4.48Å; E162-R244 WeakPolarHBondContact OE2-CD 3.44Å; E162-R244 IonicContact OE2-CZ 2.78Å; E162-R244 IonicContact OE2-NE 3.5Å; E162-R244 IonicContact OE2-NH1 3.31Å; E162-R244 PolarHBondContact OE2-NH1 3.18Å; N240-R244 VanDerWaalsContact O-CB 3.29Å; N240-R244 WeakPolarHBondContact O-CB 3.19Å; N240-R244 VanDerWaalsContact O-CG 3.24Å; N240-R244 WeakPolarHBondContact O-CG 3.38Å; N240-R244 PolarHBondContact O-N 3.2Å; N240-R244 PolarHBondContact O-NE 3.02Å; R244-M247 PolarHBondContact O-N 2.67Å; R244-S248 PolarHBondContact O-N 2.89Å
245K98.4Very high97.2Very high37 Ų3734.9 Ų34.916%0.16118%0.179CC..Hα-helixtrans-60.1-51.1177.5-177.665.2175.1-164.10111.7Y95 H156 L157 S158 V159 A241 F242 R243 M247 S248 M249Y95-K245 HydrophobicContact CD2-CB 4.41Å; Y95-K245 HydrophobicContact CD2-CG 3.61Å; Y95-K245 HydrophobicContact CE2-CG 3.69Å; H156-K245 WeakPolarHBondContact O-CE 3.42Å; L157-K245 HydrophobicContact CB-CB 4.29Å; L157-K245 HydrophobicContact CD2-CB 3.84Å; L157-K245 HydrophobicContact CD2-CG 3.82Å; S158-K245 WeakPolarHBondContact O-CD 3.5Å; S158-K245 PolarHBondContact O-NZ 3.18Å; V159-K245 HydrophobicContact CG2-CB 4.46Å; V159-K245 HydrophobicContact CG2-CD 4.21Å; A241-K245 VanDerWaalsContact O-CB 3.27Å; A241-K245 WeakPolarHBondContact O-CB 3.43Å; A241-K245 PolarHBondContact O-N 3.03Å; F242-K245 PolarHBondContact O-N 3.27Å; R243-K245 PolarHBondContact O-N 3.12Å; K245-M247 VanDerWaalsContact C-N 3.33Å; K245-M247 PolarHBondContact O-N 2.76Å; K245-S248 WeakPolarHBondContact O-CB 3.08Å; K245-S248 PolarHBondContact O-N 3.16Å; K245-S248 VanDerWaalsContact O-N 3.16Å; K245-S248 PolarHBondContact O-OG 3.04Å; K245-M249 HydrophobicContact CD-SD 4.41Å; K245-M249 HydrophobicContact CG-SD 4.09Å; K245-M249 WeakPolarHBondContact O-CG 3.49Å; K245-M249 PolarHBondContact O-N 3.05Å
246A97.8Very high97.1Very high0 Ų034.6 Ų34.60%018%0.178CC..Hα-helixtrans-59.4-43.5179.500000111.7W91 A94 F242 R243 S248 M249 G250 V251W91-A246 HydrophobicContact CE3-CB 3.8Å; W91-A246 HydrophobicContact CZ3-CB 4.08Å; A94-A246 HydrophobicContact CB-CB 4.34Å; F242-A246 WeakPolarHBondContact O-CB 3.34Å; F242-A246 PolarHBondContact O-N 3.01Å; R243-A246 PolarHBondContact O-N 2.79Å; A246-S248 PolarHBondContact O-N 3.4Å; A246-M249 CarbonylContact O-C 3.57Å; A246-M249 WeakPolarHBondContact O-CA 3.3Å; A246-M249 WeakPolarHBondContact O-CB 3.48Å; A246-M249 PolarHBondContact O-N 3.24Å; A246-G250 PolarHBondContact O-N 2.81Å; A246-V251 HydrophobicContact CB-CB 4.17Å; A246-V251 HydrophobicContact CB-CG2 3.89Å; A246-V251 WeakPolarHBondContact O-CB 3.42Å; A246-V251 VanDerWaalsContact O-CG2 3.3Å; A246-V251 WeakPolarHBondContact O-CG2 3.32Å; A246-V251 PolarHBondContact O-N 3.49Å; A246-V251 VanDerWaalsContact O-N 3.12Å
247M96.6Very high97Very high80 Ų8033.2 Ų33.239%0.39418%0.176SC..Hα-helixtrans-62.5-40.4175.3-70.9175.871.200112.2W91 R243 R244 K245 M249 G250 Q253W91-M247 HydrophobicContact CH2-CG 4.01Å; W91-M247 HydrophobicContact CH2-SD 4.32Å; W91-M247 HydrophobicContact CZ3-CG 4.02Å; R243-M247 HydrophobicContact CG-CG 4.49Å; R243-M247 HydrophobicContact CG-SD 3.76Å; R243-M247 WeakPolarHBondContact O-CB 3.34Å; R243-M247 VanDerWaalsContact O-CG 3.24Å; R243-M247 WeakPolarHBondContact O-CG 3.49Å; R243-M247 PolarHBondContact O-N 2.82Å; R244-M247 PolarHBondContact O-N 2.67Å; K245-M247 VanDerWaalsContact C-N 3.33Å; K245-M247 PolarHBondContact O-N 2.76Å; M247-M249 PolarHBondContact O-N 3.28Å; M247-M249 VanDerWaalsContact O-N 3.14Å; M247-G250 PolarHBondContact O-N 2.62Å; M247-Q253 HydrophobicContact CE-CB 4.45Å
248S96.1Very high97Very high67 Ų6732.2 Ų32.247%0.46917%0.168SC..Hα-helixtrans-61.5-21.6174.2820000113.2R244 K245 A246R244-S248 PolarHBondContact O-N 2.89Å; K245-S248 WeakPolarHBondContact O-CB 3.08Å; K245-S248 PolarHBondContact O-N 3.16Å; K245-S248 VanDerWaalsContact O-N 3.16Å; K245-S248 PolarHBondContact O-OG 3.04Å; A246-S248 PolarHBondContact O-N 3.4Å
249M95.2Very high96.9Very high49 Ų4933.5 Ų33.524%0.24118%0.179CC..THydrogen-bonded Turntrans-92.13175.8-59.9169.280.500112.9Y95 K98 Q99 K245 A246 M247Y95-M249 HydrophobicContact CD2-SD 3.87Å; Y95-M249 HydrophobicContact CE2-SD 4.12Å; K98-M249 HydrophobicContact CB-CB 3.94Å; K98-M249 HydrophobicContact CB-CE 3.67Å; K98-M249 HydrophobicContact CB-SD 4.21Å; K98-M249 WeakPolarHBondContact CE-O 3.18Å; K98-M249 HydrophobicContact CG-CB 4.24Å; Q99-M249 HydrophobicContact CB-CE 4.06Å; K245-M249 HydrophobicContact CD-SD 4.41Å; K245-M249 HydrophobicContact CG-SD 4.09Å; K245-M249 WeakPolarHBondContact O-CG 3.49Å; K245-M249 PolarHBondContact O-N 3.05Å; A246-M249 CarbonylContact O-C 3.57Å; A246-M249 WeakPolarHBondContact O-CA 3.3Å; A246-M249 WeakPolarHBondContact O-CB 3.48Å; A246-M249 PolarHBondContact O-N 3.24Å; M247-M249 PolarHBondContact O-N 3.28Å; M247-M249 VanDerWaalsContact O-N 3.14Å
250G94.2Very high96.8Very high47 Ų4736.1 Ų36.149%0.48519%0.193SC..THydrogen-bonded Turntrans9316176.100000115.2A246 M247A246-G250 PolarHBondContact O-N 2.81Å; M247-G250 PolarHBondContact O-N 2.62Å
251V97.1Very high96.8Very high8 Ų835.6 Ų35.65%0.04819%0.19CC..PPolyproline II helixtrans-68.1134.9168.3179.20000109.6W91 A94 K98 V109 V111 A246W91-V251 HydrophobicContact CE3-CG1 4.48Å; W91-V251 HydrophobicContact CH2-CG1 4.38Å; W91-V251 HydrophobicContact CZ3-CB 4.3Å; W91-V251 HydrophobicContact CZ3-CG1 3.68Å; A94-V251 HydrophobicContact CB-CG1 4.02Å; A94-V251 HydrophobicContact CB-CG2 4.13Å; K98-V251 HydrophobicContact CD-CG2 4.14Å; K98-V251 HydrophobicContact CG-CG2 3.46Å; K98-V251 VanDerWaalsContact CG-CG2 3.46Å; V109-V251 HydrophobicContact CB-CG1 4.3Å; V109-V251 HydrophobicContact CB-CG2 4.19Å; V109-V251 HydrophobicContact CG1-CG1 4.15Å; V109-V251 HydrophobicContact CG1-CG2 4.46Å; V111-V251 HydrophobicContact CG2-CG1 3.73Å; A246-V251 HydrophobicContact CB-CB 4.17Å; A246-V251 HydrophobicContact CB-CG2 3.89Å; A246-V251 WeakPolarHBondContact O-CB 3.42Å; A246-V251 VanDerWaalsContact O-CG2 3.3Å; A246-V251 WeakPolarHBondContact O-CG2 3.32Å; A246-V251 PolarHBondContact O-N 3.49Å; A246-V251 VanDerWaalsContact O-N 3.12Å
252I97.1Very high96.7Very high57 Ų5741.3 Ų41.329%0.29221%0.211SC..EExtended strand (participates in β ladder)trans-91.8131.9179.7-55.8168.3000108.6P76 V109 L110 V111P76-I252 HydrophobicContact CB-CD1 4.48Å; P76-I252 HydrophobicContact CG-CD1 3.94Å; V109-I252 PolarHBondContact O-N 3.33Å; L110-I252 CarbonylContact C-O 3.59Å; L110-I252 WeakPolarHBondContact CA-O 3.2Å; L110-I252 HydrophobicContact CD1-CB 3.95Å; L110-I252 HydrophobicContact CD1-CG2 3.71Å; V111-I252 PolarHBondContact N-O 2.73Å
253Q96.4Very high96.6Very high41 Ų4144.5 Ų44.519%0.19223%0.226CC..EExtended strand (participates in β ladder)trans-97.5138.9171.5-173.5173.937.500109.8W91 M247 F255W91-Q253 HydrophobicContact CH2-CB 3.95Å; W91-Q253 HydrophobicContact CH2-CG 4.14Å; W91-Q253 HydrophobicContact CZ2-CB 4.29Å; W91-Q253 HydrophobicContact CZ2-CG 3.94Å; M247-Q253 HydrophobicContact CE-CB 4.45Å; Q253-F255 VanDerWaalsContact CD-CZ 3.5Å; Q253-F255 HydrophobicContact CG-CE2 4.35Å; Q253-F255 HydrophobicContact CG-CZ 4.28Å
254C95.6Very high96.5Very high1 Ų145.5 Ų45.51%0.00724%0.238CC..EExtended strand (participates in β ladder)trans-134.4131.1168.71740000109.6P75 L110 V111 V112 E113P75-C254 HydrophobicContact CB-CB 4.2Å; L110-C254 HydrophobicContact CD1-CB 3.72Å; V111-C254 PolarHBondContact O-N 3.13Å; V112-C254 WeakPolarHBondContact CA-O 3.24Å; V112-C254 HydrophobicContact CG2-CB 4.45Å; E113-C254 PolarHBondContact N-O 2.66Å
255F95.4Very high96.2Very high48 Ų4847 Ų4721%0.21125%0.247CC..EExtended strand (participates in β ladder)trans-94.4114170.7-66.5-63.9000110.7E113 P116 Y118 Q253 M288 L289E113-F255 HydrophobicContact CB-CD1 3.97Å; E113-F255 HydrophobicContact CB-CE1 4.09Å; E113-F255 HydrophobicContact CG-CD1 4.17Å; E113-F255 HydrophobicContact CG-CE1 4.11Å; E113-F255 CarbonylContact O-C 3.23Å; E113-F255 WeakPolarHBondContact O-CA 3.14Å; P116-F255 VanDerWaalsContact CA-CE1 3.45Å; P116-F255 HydrophobicContact CB-CB 4.4Å; P116-F255 HydrophobicContact CB-CD1 3.8Å; P116-F255 HydrophobicContact CB-CD2 4.09Å; P116-F255 HydrophobicContact CB-CE1 3.99Å; P116-F255 HydrophobicContact CB-CE2 4.24Å; P116-F255 HydrophobicContact CB-CG 3.84Å; P116-F255 HydrophobicContact CB-CZ 4.17Å; Y118-F255 HydrophobicContact CE2-CE1 4.3Å; Q253-F255 VanDerWaalsContact CD-CZ 3.5Å; Q253-F255 HydrophobicContact CG-CE2 4.35Å; Q253-F255 HydrophobicContact CG-CZ 4.28Å; F255-M288 VanDerWaalsContact O-CE 3.29Å; F255-M288 WeakPolarHBondContact O-CE 3.49Å; F255-L289 HydrophobicContact CB-CD1 3.98Å
256G95Very high95.8Very high2 Ų250.1 Ų50.12%0.02126%0.262CS..EExtended strand (participates in β ladder)trans176.9163.6-178.700000112.2V112 E113 R114 Q287V112-G256 WeakPolarHBondContact CG1-O 2.93Å; E113-G256 CarbonylContact C-O 3.59Å; E113-G256 PolarHBondContact O-N 2.95Å; R114-G256 VanDerWaalsContact CA-O 3.32Å; R114-G256 WeakPolarHBondContact CA-O 3.48Å; R114-G256 PolarHBondContact N-O 2.95Å; G256-Q287 CarbonylContact C-O 3.57Å; G256-Q287 WeakPolarHBondContact CA-O 3.39Å
257E96.1Very high95.4Very high77 Ų7753.7 Ų53.736%0.3628%0.283SS..EExtended strand (participates in β ladder)trans-95129.4176.1-177171.1179.600110R114 A259 Q287 K312R114-E257 HydrophobicContact CB-CB 4.22Å; E257-A259 PolarHBondContact O-N 3.02Å; E257-Q287 HydrophobicContact CB-CB 4.45Å; E257-Q287 PolarHBondContact N-O 3.01Å; E257-Q287 WeakPolarHBondContact O-CB 3.4Å; E257-Q287 PolarHBondContact O-N 3.29Å; E257-K312 IonicContact OE1-NZ 2.83Å; E257-K312 PolarHBondContact OE1-NZ 3.19Å; E257-K312 VanDerWaalsContact OE1-NZ 3.12Å
258V97.6Very high94.8Very high6 Ų653.1 Ų53.14%0.03628%0.282CS..EExtended strand (participates in β ladder)trans-71.7112.4167.21730000108.5V84 V112 F261 V284 L313V84-V258 HydrophobicContact CB-CG2 4.31Å; V84-V258 HydrophobicContact CG1-CB 3.78Å; V84-V258 HydrophobicContact CG1-CG1 4.46Å; V84-V258 HydrophobicContact CG1-CG2 3.53Å; V84-V258 HydrophobicContact CG2-CG2 3.86Å; V112-V258 HydrophobicContact CB-CG2 4.22Å; V112-V258 HydrophobicContact CG1-CG2 3.88Å; V258-F261 HydrophobicContact CG1-CE1 3.96Å; V258-F261 HydrophobicContact CG1-CE2 3.96Å; V258-F261 HydrophobicContact CG1-CZ 3.55Å; V258-V284 HydrophobicContact CB-CG1 4.11Å; V258-V284 HydrophobicContact CG1-CG1 3.43Å; V258-V284 VanDerWaalsContact CG1-CG1 3.43Å; V258-V284 HydrophobicContact CG2-CG1 3.57Å; V258-L313 HydrophobicContact CB-CD2 4.15Å; V258-L313 HydrophobicContact CG1-CD2 3.99Å
259A96.4Very high94.3Very high28 Ų2855.6 Ų55.623%0.23129%0.287CS..EExtended strand (participates in β ladder)trans-99.4-26.7-172.700000113.2E257 K285 Q287 Y294 M316E257-A259 PolarHBondContact O-N 3.02Å; A259-K285 PolarHBondContact N-O 3.04Å; A259-Q287 HydrophobicContact CB-CB 4.25Å; A259-Y294 HydrophobicContact CB-CD1 3.84Å; A259-Y294 HydrophobicContact CB-CE1 3.31Å; A259-M316 WeakPolarHBondContact O-CE 3.39Å; A259-M316 VanDerWaalsContact O-SD 3.39Å
260D96.8Very high93.5Very high54 Ų5455.1 Ų55.129%0.28929%0.287SS..EExtended strand (participates in β ladder)trans-167168.6-175.8-173.526.8000111.5K285D260-K285 HydrophobicContact CB-CB 4.28Å; D260-K285 HydrophobicContact CB-CD 4.09Å; D260-K285 HydrophobicContact CB-CG 4.47Å; D260-K285 WeakPolarHBondContact O-CB 3.28Å; D260-K285 PolarHBondContact O-N 2.97Å; D260-K285 IonicContact OD2-NZ 2.76Å; D260-K285 PolarHBondContact OD2-NZ 3.23Å
261F97.4Very high93Very high6 Ų663.1 Ų63.13%0.02631%0.309CS..EExtended strand (participates in β ladder)trans-129.4133178.3-61.1-88.5000111.2V258 I281 V284 V302 L313 M316 V317 M446V258-F261 HydrophobicContact CG1-CE1 3.96Å; V258-F261 HydrophobicContact CG1-CE2 3.96Å; V258-F261 HydrophobicContact CG1-CZ 3.55Å; F261-I281 HydrophobicContact CB-CG2 4.43Å; F261-I281 HydrophobicContact CD1-CD1 3.91Å; F261-I281 HydrophobicContact CD1-CG1 4.46Å; F261-I281 HydrophobicContact CD1-CG2 3.96Å; F261-I281 HydrophobicContact CE1-CD1 4.26Å; F261-I281 HydrophobicContact CG-CD1 4.41Å; F261-V284 HydrophobicContact CD1-CB 4.42Å; F261-V284 HydrophobicContact CD1-CG1 4.3Å; F261-V284 HydrophobicContact CD1-CG2 3.95Å; F261-V284 HydrophobicContact CE1-CB 4.45Å; F261-V284 HydrophobicContact CE1-CG1 3.99Å; F261-V284 HydrophobicContact CE1-CG2 3.88Å; F261-V302 HydrophobicContact CE1-CG1 4.1Å; F261-V302 HydrophobicContact CE1-CG2 4.39Å; F261-L313 HydrophobicContact CE2-CD2 4.23Å; F261-L313 HydrophobicContact CZ-CD2 4.34Å; F261-M316 HydrophobicContact CD2-CB 3.88Å; F261-M316 HydrophobicContact CE2-CB 4.11Å; F261-M316 HydrophobicContact CE2-SD 4.16Å; F261-V317 HydrophobicContact CB-CG1 3.57Å; F261-V317 HydrophobicContact CD1-CG1 4.49Å; F261-V317 HydrophobicContact CD2-CG1 3.55Å; F261-V317 HydrophobicContact CE2-CG1 4.34Å; F261-V317 HydrophobicContact CG-CG1 3.62Å; F261-M446 HydrophobicContact CZ-CE 4.41Å
262R97.3Very high92.3Very high120 Ų12070.1 Ų70.145%0.45335%0.346SS..EExtended strand (participates in β ladder)trans-84.7119.7163.2-172.3-175.468.2170.6-2.9108K282 S283 E298R262-K282 PolarHBondContact O-N 2.63Å; R262-S283 VanDerWaalsContact CB-OG 3.25Å; R262-S283 WeakPolarHBondContact CB-OG 3.15Å; R262-S283 PolarHBondContact N-O 3.42Å; R262-S283 PolarHBondContact NE-OG 2.92Å; R262-S283 PolarHBondContact O-N 2.64Å; R262-E298 IonicContact CZ-OE1 3.38Å; R262-E298 IonicContact NH1-OE1 3.75Å; R262-E298 IonicContact NH2-OE1 3.68Å; R262-E298 PolarHBondContact NH2-OE1 2.9Å
263H96.2Very high91.4Very high67 Ų6769.8 Ų69.831%0.3136%0.357SS..EExtended strand (participates in β ladder)trans-131.1157177.261.25.9000112.3T280H263-T280 CarbonylContact C-O 3.58Å; H263-T280 VanDerWaalsContact CA-O 3.25Å; H263-T280 WeakPolarHBondContact CA-O 3.38Å; H263-T280 WeakPolarHBondContact CB-O 3.41Å
264V95.2Very high90.7Very high72 Ų7273 Ų7344%0.43637%0.372SS..EExtended strand (participates in β ladder)trans-105.3150.3168.5-620000110K279 T280 K282V264-K279 WeakPolarHBondContact O-CA 3.16Å; V264-T280 PolarHBondContact N-O 3.46Å; V264-T280 PolarHBondContact O-N 2.87Å; V264-K282 HydrophobicContact CG1-CG 4.02Å; V264-K282 VanDerWaalsContact CG2-CE 3.48Å; V264-K282 HydrophobicContact CG2-CG 4.39Å
265K92.4Very high90.2Very high121 Ų12178 Ų7853%0.52640%0.395SS..EExtended strand (participates in β ladder)trans-102.5131179.1-177.7-177.1179.6175.20109.6D277 M278K265-D277 WeakPolarHBondContact CE-OD1 3.42Å; K265-D277 WeakPolarHBondContact CE-OD2 3.01Å; K265-D277 IonicContact NZ-OD1 2.78Å; K265-D277 PolarHBondContact NZ-OD1 3.35Å; K265-D277 IonicContact NZ-OD2 3.71Å; K265-D277 PolarHBondContact NZ-OD2 3.11Å; K265-M278 CarbonylContact C-O 3.38Å; K265-M278 WeakPolarHBondContact CA-O 3.48Å
266Q90.1Very high89.7Confident102 Ų10277.6 Ų77.648%0.47739%0.394SS..EExtended strand (participates in β ladder)trans-115.9122.8169.4-177174.5-0.100108.6L268 M278Q266-L268 HydrophobicContact CG-CD2 4.27Å; Q266-M278 PolarHBondContact N-O 3.08Å; Q266-M278 PolarHBondContact O-N 3.4Å
267V88.3Confident89.4Confident74 Ų7480 Ų8045%0.44841%0.407SS..EExtended strand (participates in β ladder)trans-90.8121.8177.9179.70000108.7Q275V267-Q275 HydrophobicContact CG1-CG 3.35Å
268L85.4Confident89.1Confident68 Ų6878.1 Ų78.136%0.35640%0.399SS..EExtended strand (participates in β ladder)trans-110.2147.8171.7-61.6-177.1000109.5Q266 Q275 I276 M278Q266-L268 HydrophobicContact CG-CD2 4.27Å; L268-Q275 CarbonylContact O-C 3.48Å; L268-Q275 WeakPolarHBondContact O-CA 3.49Å; L268-I276 HydrophobicContact CB-CB 4.41Å; L268-I276 PolarHBondContact N-O 2.88Å; L268-I276 PolarHBondContact O-N 3.23Å; L268-M278 HydrophobicContact CD1-CG 3.9Å; L268-M278 HydrophobicContact CD1-SD 3.3Å; L268-M278 WeakPolarHBondContact CD1-SD 3.45Å; L268-M278 HydrophobicContact CG-CG 4.41Å; L268-M278 HydrophobicContact CG-SD 4.28Å
269M84.3Confident88.9Confident119 Ų11979.8 Ų79.859%0.58641%0.405SS*.EExtended strand (participates in β ladder)trans-110.1126.2172.5-64.4-60.5-6500108.6G273 E274 Q275M269-G273 WeakPolarHBondContact CE-O 3.42Å; M269-E274 CarbonylContact C-O 3.52Å; M269-E274 WeakPolarHBondContact CA-O 3.48Å; M269-Q275 HydrophobicContact SD-CB 3.94Å; M269-Q275 HydrophobicContact SD-CG 4.04Å
270T80.3Confident88.9Confident40 Ų4079.7 Ų79.725%0.24540%0.402CS..  trans-70.9165.1171.973.80000110.4N272 G273 E274 I276T270-N272 PolarHBondContact O-N 3.09Å; T270-N272 VanDerWaalsContact O-N 3.08Å; T270-N272 PolarHBondContact OG1-N 3.09Å; T270-G273 PolarHBondContact O-N 3.22Å; T270-E274 HydrophobicContact CG2-CB 3.97Å; T270-E274 PolarHBondContact N-O 3.34Å; T270-E274 VanDerWaalsContact OG1-CB 3.26Å; T270-E274 WeakPolarHBondContact OG1-CB 3.34Å; T270-E274 PolarHBondContact OG1-N 3.01Å; T270-E274 VanDerWaalsContact OG1-N 3.09Å; T270-I276 HydrophobicContact CG2-CD1 3.38Å; T270-I276 HydrophobicContact CG2-CG1 3.82Å
271K82.1Confident89Confident215 Ų21577.2 Ų77.294%0.93539%0.388SS*.THydrogen-bonded Turntrans-57.4-22.6173.4-68.6-175.6178.51790113.1
272N82.4Confident89Confident155 Ų15581.1 Ų81.183%0.82941%0.406SS*.THydrogen-bonded Turntrans-93.46-179.4-60.1-5.1000112.5T270 E274T270-N272 PolarHBondContact O-N 3.09Å; T270-N272 VanDerWaalsContact O-N 3.08Å; T270-N272 PolarHBondContact OG1-N 3.09Å; N272-E274 VanDerWaalsContact C-N 3.33Å
273G79.8Confident89.1Confident50 Ų5075.7 Ų75.752%0.51539%0.386SS..SBendtrans79.911.2-178.700000114.4M269 T270M269-G273 WeakPolarHBondContact CE-O 3.42Å; T270-G273 PolarHBondContact O-N 3.22Å
274E80.9Confident89.1Confident108 Ų10872.5 Ų72.551%0.50537%0.371SS..  trans-78.5135175.2-170.5-175.5179.900110.3M269 T270 N272M269-E274 CarbonylContact C-O 3.52Å; M269-E274 WeakPolarHBondContact CA-O 3.48Å; T270-E274 HydrophobicContact CG2-CB 3.97Å; T270-E274 PolarHBondContact N-O 3.34Å; T270-E274 VanDerWaalsContact OG1-CB 3.26Å; T270-E274 WeakPolarHBondContact OG1-CB 3.34Å; T270-E274 PolarHBondContact OG1-N 3.01Å; T270-E274 VanDerWaalsContact OG1-N 3.09Å; N272-E274 VanDerWaalsContact C-N 3.33Å
275Q84.4Confident89.3Confident107 Ų10772.5 Ų72.550%0.537%0.365SS..EExtended strand (participates in β ladder)trans-86.9122177-169.2-176.3-43.700110.5V267 L268 M269 D277V267-Q275 HydrophobicContact CG1-CG 3.35Å; L268-Q275 CarbonylContact O-C 3.48Å; L268-Q275 WeakPolarHBondContact O-CA 3.49Å; M269-Q275 HydrophobicContact SD-CB 3.94Å; M269-Q275 HydrophobicContact SD-CG 4.04Å; Q275-D277 PolarHBondContact NE2-OD1 3.29Å
276I84.9Confident89.5Confident38 Ų3866.7 Ų66.720%0.19534%0.34CS..EExtended strand (participates in β ladder)trans-109.9123.9173.7-61.6179.4000109.4L268 T270 M278 L327 L442L268-I276 HydrophobicContact CB-CB 4.41Å; L268-I276 PolarHBondContact N-O 2.88Å; L268-I276 PolarHBondContact O-N 3.23Å; T270-I276 HydrophobicContact CG2-CD1 3.38Å; T270-I276 HydrophobicContact CG2-CG1 3.82Å; I276-M278 HydrophobicContact CG2-CG 4.16Å; I276-L327 HydrophobicContact CD1-CD1 4.34Å; I276-L442 HydrophobicContact CG2-CD2 3.59Å
277D88.3Confident89.8Confident52 Ų5263.8 Ų63.828%0.27833%0.326SS..EExtended strand (participates in β ladder)trans-96.895.9178.9-69.4-23.1000110.2K265 Q275K265-D277 WeakPolarHBondContact CE-OD1 3.42Å; K265-D277 WeakPolarHBondContact CE-OD2 3.01Å; K265-D277 IonicContact NZ-OD1 2.78Å; K265-D277 PolarHBondContact NZ-OD1 3.35Å; K265-D277 IonicContact NZ-OD2 3.71Å; K265-D277 PolarHBondContact NZ-OD2 3.11Å; Q275-D277 PolarHBondContact NE2-OD1 3.29Å
278M91.1Very high90Very high39 Ų3961.1 Ų61.119%0.19231%0.309CS..EExtended strand (participates in β ladder)trans-84.6147.3173.6-63.5-166.7103.500111.3K265 Q266 L268 I276 P441 N444K265-M278 CarbonylContact C-O 3.38Å; K265-M278 WeakPolarHBondContact CA-O 3.48Å; Q266-M278 PolarHBondContact N-O 3.08Å; Q266-M278 PolarHBondContact O-N 3.4Å; L268-M278 HydrophobicContact CD1-CG 3.9Å; L268-M278 HydrophobicContact CD1-SD 3.3Å; L268-M278 WeakPolarHBondContact CD1-SD 3.45Å; L268-M278 HydrophobicContact CG-CG 4.41Å; L268-M278 HydrophobicContact CG-SD 4.28Å; I276-M278 HydrophobicContact CG2-CG 4.16Å; M278-P441 WeakPolarHBondContact CE-O 3.03Å; M278-N444 WeakPolarHBondContact CE-OD1 3.45Å; M278-N444 PolarHBondContact SD-OD1 3.28Å; M278-N444 VanDerWaalsContact SD-OD1 3.39Å
279K94Very high90Very high41 Ų4162 Ų6218%0.17831%0.314CS..EExtended strand (participates in β ladder)trans-117.8144.3-179.8-67.8170.2178.4-177.50110.7V264 V317 L442 I443 N444V264-K279 WeakPolarHBondContact O-CA 3.16Å; K279-V317 WeakPolarHBondContact CD-O 3.49Å; K279-V317 WeakPolarHBondContact CE-O 3.18Å; K279-V317 PolarHBondContact NZ-O 2.86Å; K279-L442 PolarHBondContact N-O 3.44Å; K279-I443 WeakPolarHBondContact O-CA 3.42Å; K279-N444 PolarHBondContact O-N 2.83Å
280T96.3Very high89.9Confident26 Ų2664.9 Ų64.916%0.1633%0.332CS..EExtended strand (participates in β ladder)trans-129.6117.3170.7-60.10000108.7H263 V264 N445H263-T280 CarbonylContact C-O 3.58Å; H263-T280 VanDerWaalsContact CA-O 3.25Å; H263-T280 WeakPolarHBondContact CA-O 3.38Å; H263-T280 WeakPolarHBondContact CB-O 3.41Å; V264-T280 PolarHBondContact N-O 3.46Å; V264-T280 PolarHBondContact O-N 2.87Å; T280-N445 WeakPolarHBondContact CA-OD1 3.37Å
281I97.6Very high90.2Very high1 Ų165 Ų651%0.00533%0.334CS..EExtended strand (participates in β ladder)trans-68135.7176.9-60.2171.1000108.6F261 V302 V317 I443 N445 M446F261-I281 HydrophobicContact CB-CG2 4.43Å; F261-I281 HydrophobicContact CD1-CD1 3.91Å; F261-I281 HydrophobicContact CD1-CG1 4.46Å; F261-I281 HydrophobicContact CD1-CG2 3.96Å; F261-I281 HydrophobicContact CE1-CD1 4.26Å; F261-I281 HydrophobicContact CG-CD1 4.41Å; I281-V302 HydrophobicContact CB-CG2 4.33Å; I281-V302 HydrophobicContact CD1-CB 4.09Å; I281-V302 HydrophobicContact CD1-CG2 3.82Å; I281-V302 HydrophobicContact CG2-CG2 3.91Å; I281-V317 HydrophobicContact CD1-CG1 4.13Å; I281-V317 HydrophobicContact CG1-CG1 4.2Å; I281-I443 HydrophobicContact CD1-CG2 4.31Å; I281-I443 HydrophobicContact CG1-CG2 4.36Å; I281-N445 PolarHBondContact N-OD1 2.83Å; I281-N445 PolarHBondContact O-ND2 3.2Å; I281-M446 HydrophobicContact CD1-CB 4.05Å; I281-M446 HydrophobicContact CD1-CG 4.33Å; I281-M446 HydrophobicContact CD1-SD 3.89Å
282K98Very high90.2Very high89 Ų8962.9 Ų62.939%0.38733%0.332SS..EExtended strand (participates in β ladder)trans-113.9-29.4177.7-62.3-60.2179-175.40112.3R262 V264 E298 C299R262-K282 PolarHBondContact O-N 2.63Å; V264-K282 HydrophobicContact CG1-CG 4.02Å; V264-K282 VanDerWaalsContact CG2-CE 3.48Å; V264-K282 HydrophobicContact CG2-CG 4.39Å; K282-E298 WeakPolarHBondContact O-CA 3.21Å; K282-C299 PolarHBondContact O-N 2.91Å; K282-C299 VanDerWaalsContact O-N 3.16Å
283S98.1Very high90.3Very high5 Ų562 Ų624%0.03532%0.323CS..EExtended strand (participates in β ladder)trans-155.4155.2170.1590000112.3R262 V297R262-S283 VanDerWaalsContact CB-OG 3.25Å; R262-S283 WeakPolarHBondContact CB-OG 3.15Å; R262-S283 PolarHBondContact N-O 3.42Å; R262-S283 PolarHBondContact NE-OG 2.92Å; R262-S283 PolarHBondContact O-N 2.64Å; S283-V297 CarbonylContact C-O 3.59Å; S283-V297 WeakPolarHBondContact CA-O 3.24Å; S283-V297 WeakPolarHBondContact CB-O 3.27Å
284V98.3Very high90.8Very high0 Ų065.4 Ų65.40%032%0.321CS..EExtended strand (participates in β ladder)trans-102.4133.4173.1-174.30000108.5V82 V258 F261 V286 P296 V297 V302V82-V284 HydrophobicContact CB-CG2 4.11Å; V82-V284 HydrophobicContact CG1-CB 4.46Å; V82-V284 HydrophobicContact CG1-CG2 4Å; V82-V284 HydrophobicContact CG2-CG2 4.26Å; V258-V284 HydrophobicContact CB-CG1 4.11Å; V258-V284 HydrophobicContact CG1-CG1 3.43Å; V258-V284 VanDerWaalsContact CG1-CG1 3.43Å; V258-V284 HydrophobicContact CG2-CG1 3.57Å; F261-V284 HydrophobicContact CD1-CB 4.42Å; F261-V284 HydrophobicContact CD1-CG1 4.3Å; F261-V284 HydrophobicContact CD1-CG2 3.95Å; F261-V284 HydrophobicContact CE1-CB 4.45Å; F261-V284 HydrophobicContact CE1-CG1 3.99Å; F261-V284 HydrophobicContact CE1-CG2 3.88Å; V284-V286 HydrophobicContact CG1-CG2 4.37Å; V284-P296 CarbonylContact O-C 3.21Å; V284-P296 WeakPolarHBondContact O-CA 3.36Å; V284-V297 PolarHBondContact N-O 2.68Å; V284-V297 PolarHBondContact O-N 3.39Å; V284-V302 HydrophobicContact CG2-CG2 3.81Å
285K97.6Very high91.4Very high72 Ų7262.8 Ų62.831%0.31331%0.309SS..EExtended strand (participates in β ladder)trans-95113173.2-64.1-169.1-163.2150.80109.4A259 D260 Y294A259-K285 PolarHBondContact N-O 3.04Å; D260-K285 HydrophobicContact CB-CB 4.28Å; D260-K285 HydrophobicContact CB-CD 4.09Å; D260-K285 HydrophobicContact CB-CG 4.47Å; D260-K285 WeakPolarHBondContact O-CB 3.28Å; D260-K285 PolarHBondContact O-N 2.97Å; D260-K285 IonicContact OD2-NZ 2.76Å; D260-K285 PolarHBondContact OD2-NZ 3.23Å; K285-Y294 HydrophobicContact CB-CD1 4.42Å; K285-Y294 HydrophobicContact CB-CG 4.45Å
286V97.3Very high92Very high0 Ų061.2 Ų61.20%031%0.308CS..EExtended strand (participates in β ladder)trans-98.4119178.8-174.10000109.3P75 V112 V284 M288 Y294 Q295 V297P75-V286 HydrophobicContact CG-CB 4.43Å; V112-V286 HydrophobicContact CG1-CG1 4Å; V112-V286 HydrophobicContact CG1-CG2 4.39Å; V112-V286 HydrophobicContact CG2-CG2 4.23Å; V284-V286 HydrophobicContact CG1-CG2 4.37Å; V286-M288 HydrophobicContact CB-SD 4.5Å; V286-M288 HydrophobicContact CG1-SD 3.87Å; V286-M288 PolarHBondContact O-N 2.91Å; V286-Y294 WeakPolarHBondContact O-CA 3.11Å; V286-Q295 PolarHBondContact N-O 2.94Å; V286-Q295 PolarHBondContact O-N 2.81Å; V286-V297 HydrophobicContact CG2-CG2 4.12Å
287Q95.7Very high92.6Very high40 Ų4059.4 Ų59.419%0.18730%0.298CS..EExtended strand (participates in β ladder)trans-79.6109168.8-176.255.873.700108.7G256 E257 A259 S291 E293 Y294G256-Q287 CarbonylContact C-O 3.57Å; G256-Q287 WeakPolarHBondContact CA-O 3.39Å; E257-Q287 HydrophobicContact CB-CB 4.45Å; E257-Q287 PolarHBondContact N-O 3.01Å; E257-Q287 WeakPolarHBondContact O-CB 3.4Å; E257-Q287 PolarHBondContact O-N 3.29Å; A259-Q287 HydrophobicContact CB-CB 4.25Å; Q287-S291 PolarHBondContact NE2-O 2.95Å; Q287-E293 PolarHBondContact NE2-O 3.23Å; Q287-Y294 HydrophobicContact CB-CD1 3.95Å; Q287-Y294 HydrophobicContact CB-CE1 3.91Å; Q287-Y294 HydrophobicContact CG-CE1 4.27Å
288M92.6Very high93.1Very high18 Ų1861.4 Ų61.49%0.08931%0.306CS..EExtended strand (participates in β ladder)trans-71.3148.3177.5-56.6-52.2-58.100110.6N73 L74 P75 F255 V286 N290 S291 Q295N73-M288 WeakPolarHBondContact O-CE 3.43Å; L74-M288 HydrophobicContact CD2-CE 4.38Å; L74-M288 HydrophobicContact CD2-CG 4.04Å; L74-M288 HydrophobicContact CD2-SD 4.48Å; P75-M288 WeakPolarHBondContact CD-SD 3.29Å; P75-M288 HydrophobicContact CG-SD 4.15Å; F255-M288 VanDerWaalsContact O-CE 3.29Å; F255-M288 WeakPolarHBondContact O-CE 3.49Å; V286-M288 HydrophobicContact CB-SD 4.5Å; V286-M288 HydrophobicContact CG1-SD 3.87Å; V286-M288 PolarHBondContact O-N 2.91Å; M288-N290 PolarHBondContact O-N 3.31Å; M288-S291 PolarHBondContact O-N 3.26Å; M288-Q295 HydrophobicContact CG-CB 4.43Å; M288-Q295 HydrophobicContact CG-CG 3.59Å; M288-Q295 HydrophobicContact SD-CB 4.46Å; M288-Q295 HydrophobicContact SD-CG 4.14Å
289L85.3Confident93.4Very high86 Ų8660.2 Ų60.245%0.4530%0.301SS..THydrogen-bonded Turntrans-55.9130.5171.9-64.4171.1000109.7P116 F255 S291P116-L289 HydrophobicContact CB-CD1 4.48Å; P116-L289 HydrophobicContact CG-CD1 3.81Å; F255-L289 HydrophobicContact CB-CD1 3.98Å; L289-S291 PolarHBondContact O-N 2.7Å
290N82.7Confident93.5Very high181 Ų18161.4 Ų61.497%0.96832%0.319SS*.THydrogen-bonded Turntrans59.920179.4-48.9-44.1000115.4M288M288-N290 PolarHBondContact O-N 3.31Å
291S86.1Confident93.6Very high41 Ų4161.2 Ų61.229%0.28732%0.317SS..  trans-107151.2171.9-179.70000110.5Q287 M288 L289 E293Q287-S291 PolarHBondContact NE2-O 2.95Å; M288-S291 PolarHBondContact O-N 3.26Å; L289-S291 PolarHBondContact O-N 2.7Å; S291-E293 PolarHBondContact OG-N 3.47Å; S291-E293 PolarHBondContact OG-O 3.02Å
292L83Confident93.7Very high171 Ų17161.2 Ų61.290%0.89532%0.317SS*.SBendtrans-95.4-10.9166.5-64.9176000112.3
293E84.3Confident93.7Very high136 Ų13657 Ų5764%0.63630%0.299SS*.SBendtrans-100.4140.9-179.4-64.5-173.9175.500111.5Q287 S291Q287-E293 PolarHBondContact NE2-O 3.23Å; S291-E293 PolarHBondContact OG-N 3.47Å; S291-E293 PolarHBondContact OG-O 3.02Å
294Y90.6Very high93.7Very high122 Ų12256.7 Ų56.748%0.47830%0.297SS..EExtended strand (participates in β ladder)trans-83.8137170.5-57.8-77.4000110.7A259 K285 V286 Q287 P296A259-Y294 HydrophobicContact CB-CD1 3.84Å; A259-Y294 HydrophobicContact CB-CE1 3.31Å; K285-Y294 HydrophobicContact CB-CD1 4.42Å; K285-Y294 HydrophobicContact CB-CG 4.45Å; V286-Y294 WeakPolarHBondContact O-CA 3.11Å; Q287-Y294 HydrophobicContact CB-CD1 3.95Å; Q287-Y294 HydrophobicContact CB-CE1 3.91Å; Q287-Y294 HydrophobicContact CG-CE1 4.27Å; Y294-P296 WeakPolarHBondContact O-CD 3.32Å
295Q93.9Very high93.7Very high53 Ų5357 Ų5725%0.24830%0.3CS..EExtended strand (participates in β ladder)trans-97.2113.8171.5-61.3-58.8-40.400109.3L74 P75 V286 M288L74-Q295 HydrophobicContact CD2-CG 4.1Å; P75-Q295 HydrophobicContact CG-CB 3.74Å; P75-Q295 HydrophobicContact CG-CG 4.49Å; V286-Q295 PolarHBondContact N-O 2.94Å; V286-Q295 PolarHBondContact O-N 2.81Å; M288-Q295 HydrophobicContact CG-CB 4.43Å; M288-Q295 HydrophobicContact CG-CG 3.59Å; M288-Q295 HydrophobicContact SD-CB 4.46Å; M288-Q295 HydrophobicContact SD-CG 4.14Å
296P96.2Very high93.8Very high74 Ų7454.5 Ų54.548%0.48129%0.292SS..EExtended strand (participates in β ladder)trans-77.4134.3175.831.4-32.6000110.6V284 Y294V284-P296 CarbonylContact O-C 3.21Å; V284-P296 WeakPolarHBondContact O-CA 3.36Å; Y294-P296 WeakPolarHBondContact O-CD 3.32Å
297V98.1Very high93.7Very high0 Ų055.4 Ų55.40%030%0.302CS..EExtended strand (participates in β ladder)trans-117.1109.9171.4-1760000108P75 P76 A79 V82 L110 S283 V284 V286P75-V297 HydrophobicContact CB-CG2 3.61Å; P75-V297 HydrophobicContact CG-CG2 3.88Å; P76-V297 WeakPolarHBondContact O-CG1 3.29Å; P76-V297 WeakPolarHBondContact O-CG2 2.88Å; A79-V297 HydrophobicContact CB-CG1 4Å; V82-V297 HydrophobicContact CG2-CG1 3.97Å; L110-V297 HydrophobicContact CD2-CB 4.42Å; L110-V297 HydrophobicContact CD2-CG1 3.88Å; L110-V297 HydrophobicContact CD2-CG2 3.99Å; S283-V297 CarbonylContact C-O 3.59Å; S283-V297 WeakPolarHBondContact CA-O 3.24Å; S283-V297 WeakPolarHBondContact CB-O 3.27Å; V284-V297 PolarHBondContact N-O 2.68Å; V284-V297 PolarHBondContact O-N 3.39Å; V286-V297 HydrophobicContact CG2-CG2 4.12Å
298E98.5Very high93.8Very high94 Ų9453.7 Ų53.744%0.43929%0.294SS..EExtended strand (participates in β ladder)trans-70.7137.2173.6-48.4-161.9130.600110.5E77 T78 A79 R262 K282E77-E298 PolarHBondContact O-N 3.09Å; T78-E298 CarbonylContact C-O 3.45Å; T78-E298 WeakPolarHBondContact CA-O 3.13Å; T78-E298 HydrophobicContact CG2-CB 4.09Å; T78-E298 HydrophobicContact CG2-CG 4.47Å; A79-E298 PolarHBondContact N-O 2.84Å; A79-E298 VanDerWaalsContact O-O 3.13Å; R262-E298 IonicContact CZ-OE1 3.38Å; R262-E298 IonicContact NH1-OE1 3.75Å; R262-E298 IonicContact NH2-OE1 3.68Å; R262-E298 PolarHBondContact NH2-OE1 2.9Å; K282-E298 WeakPolarHBondContact O-CA 3.21Å
299C98Very high94Very high14 Ų1455.5 Ų55.510%0.09530%0.302CS..EExtended strand (participates in β ladder)trans-148152.3-175.665.60000114.3A79 V82 K282A79-C299 WeakPolarHBondContact O-CA 3.36Å; A79-C299 WeakPolarHBondContact O-CB 3.16Å; V82-C299 HydrophobicContact CG2-CB 3.67Å; K282-C299 PolarHBondContact O-N 2.91Å; K282-C299 VanDerWaalsContact O-N 3.16Å
300A96.6Very high94.6Very high67 Ų6751.4 Ų51.455%0.55428%0.28SS*.EExtended strand (participates in β ladder)trans-82.8-34.4173.300000111.7D80 N445D80-A300 WeakPolarHBondContact O-CB 3.36Å; D80-A300 PolarHBondContact O-N 3.26Å; A300-N445 WeakPolarHBondContact O-CB 3.35Å; A300-N445 PolarHBondContact O-ND2 3.22Å
301L97.6Very high95.2Very high22 Ų2243.1 Ų43.112%0.11524%0.237CC..EExtended strand (participates in β ladder)trans-144.6146.8-174.4-174.1153.8000111.9D80 I81 V82 V303 Y447 I471D80-L301 PolarHBondContact O-N 3.16Å; D80-L301 VanDerWaalsContact O-N 3.08Å; I81-L301 WeakPolarHBondContact CA-O 3.04Å; I81-L301 HydrophobicContact CG1-CB 4.31Å; I81-L301 HydrophobicContact CG1-CD2 4.33Å; I81-L301 HydrophobicContact CG2-CD2 3.79Å; V82-L301 PolarHBondContact N-O 2.95Å; L301-V303 HydrophobicContact CD2-CG2 3.63Å; L301-Y447 HydrophobicContact CD1-CD2 3.69Å; L301-Y447 HydrophobicContact CD1-CE2 3.36Å; L301-Y447 HydrophobicContact CD2-CD2 3.87Å; L301-Y447 HydrophobicContact CD2-CE2 4.4Å; L301-Y447 HydrophobicContact CG-CD2 3.81Å; L301-Y447 HydrophobicContact CG-CE2 3.94Å; L301-I471 HydrophobicContact CD1-CD1 4.48Å; L301-I471 HydrophobicContact CD1-CG1 4.18Å; L301-I471 HydrophobicContact CD1-CG2 3.82Å; L301-I471 HydrophobicContact CD2-CD1 3.94Å; L301-I471 HydrophobicContact CD2-CG1 4.47Å
302V98.6Very high95.7Very high0 Ų046 Ų460%025%0.245CC..EExtended strand (participates in β ladder)trans-118.5141.4172.6-179.70000110.2V82 V84 F261 I281 V284 N445 M446 Y447V82-V302 CarbonylContact O-C 3.56Å; V82-V302 VanDerWaalsContact O-CA 3.23Å; V82-V302 WeakPolarHBondContact O-CA 3.16Å; V84-V302 HydrophobicContact CG2-CG1 3.94Å; F261-V302 HydrophobicContact CE1-CG1 4.1Å; F261-V302 HydrophobicContact CE1-CG2 4.39Å; I281-V302 HydrophobicContact CB-CG2 4.33Å; I281-V302 HydrophobicContact CD1-CB 4.09Å; I281-V302 HydrophobicContact CD1-CG2 3.82Å; I281-V302 HydrophobicContact CG2-CG2 3.91Å; V284-V302 HydrophobicContact CG2-CG2 3.81Å; V302-N445 PolarHBondContact N-O 3Å; V302-M446 HydrophobicContact CB-CG 4.3Å; V302-M446 HydrophobicContact CG1-CG 4.29Å; V302-M446 CarbonylContact O-C 3.46Å; V302-M446 VanDerWaalsContact O-CA 3.28Å; V302-M446 WeakPolarHBondContact O-CA 3.16Å; V302-Y447 PolarHBondContact O-N 3.14Å
303V98.8Very high96.3Very high0 Ų038.4 Ų38.40%021%0.205CC..EExtended strand (participates in β ladder)trans-115.8121.5167.2-171.80000109I81 V82 I83 V84 I93 L301 A305 Y447 V467 I471I81-V303 HydrophobicContact CG2-CG2 4.07Å; V82-V303 PolarHBondContact O-N 3Å; I83-V303 HydrophobicContact CB-CB 4.47Å; I83-V303 HydrophobicContact CG1-CB 4.11Å; I83-V303 HydrophobicContact CG1-CG2 4.19Å; I83-V303 HydrophobicContact CG2-CB 4.38Å; V84-V303 PolarHBondContact N-O 3.48Å; I93-V303 HydrophobicContact CD1-CG1 3.93Å; I93-V303 HydrophobicContact CG2-CG1 4.43Å; L301-V303 HydrophobicContact CD2-CG2 3.63Å; V303-A305 PolarHBondContact O-N 3.22Å; V303-Y447 CarbonylContact C-O 3.48Å; V303-Y447 WeakPolarHBondContact CA-O 3.42Å; V303-V467 HydrophobicContact CG1-CG1 4.29Å; V303-I471 HydrophobicContact CG2-CD1 3.73Å
304N98.7Very high96.8Very high0 Ų032 Ų320%018%0.175CC..EExtended strand (participates in β ladder)trans-87.797.8173.2-167.7-4.4000109.9A306 S310 L313 M446 Y447 F448 A449N304-A306 PolarHBondContact OD1-N 2.86Å; N304-S310 PolarHBondContact ND2-O 3.27Å; N304-S310 WeakPolarHBondContact OD1-CB 3.19Å; N304-S310 PolarHBondContact OD1-OG 3.48Å; N304-L313 WeakPolarHBondContact OD1-CD1 3.13Å; N304-M446 HydrophobicContact CB-CE 3.56Å; N304-M446 WeakPolarHBondContact ND2-CE 3.46Å; N304-Y447 PolarHBondContact N-O 3.23Å; N304-F448 HydrophobicContact CB-CD1 3.85Å; N304-F448 HydrophobicContact CB-CE1 4.01Å; N304-F448 HydrophobicContact CB-CG 4.26Å; N304-F448 WeakPolarHBondContact ND2-CE1 3.49Å; N304-A449 PolarHBondContact O-N 2.9Å
305A98.6Very high97Very high7 Ų731.5 Ų31.56%0.05818%0.176CC..  trans-118.730.5174.900000110.5I83 V84 M89 I93 V303 G307I83-A305 HydrophobicContact CG2-CB 4.23Å; V84-A305 CarbonylContact O-C 3.5Å; V84-A305 WeakPolarHBondContact O-CA 3.2Å; V84-A305 PolarHBondContact O-N 2.92Å; M89-A305 HydrophobicContact CB-CB 4.47Å; M89-A305 HydrophobicContact CG-CB 4.34Å; I93-A305 HydrophobicContact CD1-CB 4.22Å; V303-A305 PolarHBondContact O-N 3.22Å; A305-G307 PolarHBondContact O-N 3.29Å; A305-G307 VanDerWaalsContact O-N 3.13Å
306A97.9Very high97Very high18 Ų1831.3 Ų31.315%0.14918%0.175CC..  trans-83.620.9-171.800000113.8V84 N304 A308 F309 S310 L313V84-A306 PolarHBondContact O-N 3.32Å; V84-A306 VanDerWaalsContact O-N 3.11Å; N304-A306 PolarHBondContact OD1-N 2.86Å; A306-A308 PolarHBondContact O-N 3.13Å; A306-F309 HydrophobicContact CB-CB 4.5Å; A306-F309 PolarHBondContact O-N 2.85Å; A306-S310 PolarHBondContact N-OG 3.29Å; A306-L313 HydrophobicContact CB-CD1 3.32Å; A306-L313 HydrophobicContact CB-CG 4.4Å
307G96.8Very high96.8Very high20 Ų2027.8 Ų27.821%0.20615%0.152CC..G310 helixtrans46.6-126.4-178.900000111.8A305 F309 S310 T450A305-G307 PolarHBondContact O-N 3.29Å; A305-G307 VanDerWaalsContact O-N 3.13Å; G307-F309 PolarHBondContact O-N 3.36Å; G307-S310 PolarHBondContact N-OG 2.96Å; G307-S310 VanDerWaalsContact O-CB 3.24Å; G307-S310 WeakPolarHBondContact O-CB 3.3Å; G307-S310 PolarHBondContact O-N 2.8Å; G307-S310 PolarHBondContact O-OG 3.03Å; G307-T450 PolarHBondContact O-OG1 3.48Å; G307-T450 VanDerWaalsContact O-OG1 3.13Å
308A96.9Very high96.4Very high4 Ų428.7 Ų28.73%0.03316%0.162CC..G310 helixtrans-58.3-18-176.200000114.6A306 P336 F425 D427A306-A308 PolarHBondContact O-N 3.13Å; A308-P336 HydrophobicContact CB-CB 3.86Å; A308-F425 HydrophobicContact CB-CB 4.05Å; A308-D427 HydrophobicContact CB-CB 4.27Å
309F97.1Very high96.1Very high55 Ų5524.3 Ų24.324%0.24114%0.141CC..G310 helixtrans-97.34.4-178.9-55.2-82.5000113R114 A306 G307 G311 K312 L313 F425R114-F309 VanDerWaalsContact CZ-CE2 3.49Å; A306-F309 HydrophobicContact CB-CB 4.5Å; A306-F309 PolarHBondContact O-N 2.85Å; G307-F309 PolarHBondContact O-N 3.36Å; F309-G311 VanDerWaalsContact C-N 3.3Å; F309-G311 PolarHBondContact O-N 2.84Å; F309-K312 WeakPolarHBondContact O-CB 3.45Å; F309-K312 PolarHBondContact O-N 2.91Å; F309-K312 VanDerWaalsContact O-N 3.09Å; F309-L313 PolarHBondContact O-N 2.84Å; F309-L313 VanDerWaalsContact O-N 3.09Å; F309-F425 HydrophobicContact CE2-CD2 4.35Å; F309-F425 HydrophobicContact CZ-CD2 4.09Å; F309-F425 HydrophobicContact CZ-CE2 4.08Å
310S97.4Very high95.6Very high0 Ų024.6 Ų24.60%015%0.147CC..Hα-helixtrans-62.6-36.2-177.4-58.90000112.5N304 A306 G307 L313 A314 T450N304-S310 PolarHBondContact ND2-O 3.27Å; N304-S310 WeakPolarHBondContact OD1-CB 3.19Å; N304-S310 PolarHBondContact OD1-OG 3.48Å; A306-S310 PolarHBondContact N-OG 3.29Å; G307-S310 PolarHBondContact N-OG 2.96Å; G307-S310 VanDerWaalsContact O-CB 3.24Å; G307-S310 WeakPolarHBondContact O-CB 3.3Å; G307-S310 PolarHBondContact O-N 2.8Å; G307-S310 PolarHBondContact O-OG 3.03Å; S310-L313 PolarHBondContact O-N 3.12Å; S310-A314 PolarHBondContact O-N 2.99Å; S310-T450 WeakPolarHBondContact CB-OG1 3.47Å; S310-T450 WeakPolarHBondContact OG-CB 3.25Å; S310-T450 PolarHBondContact OG-OG1 2.94Å
311G96Very high95.3Very high7 Ų727 Ų277%0.07215%0.15CC..Hα-helixtrans-64-40.117300000113F309 A314 K315F309-G311 VanDerWaalsContact C-N 3.3Å; F309-G311 PolarHBondContact O-N 2.84Å; G311-A314 PolarHBondContact O-N 2.74Å; G311-K315 WeakPolarHBondContact O-CG 3.32Å; G311-K315 PolarHBondContact O-N 3.47Å; G311-K315 VanDerWaalsContact O-N 3.11Å
312K95.4Very high94.7Very high103 Ų10327.3 Ų27.345%0.44816%0.158SC..Hα-helixtrans-61.1-45174.7-176.5-169.7174.7-166.10110.9E257 F309 K315 M316E257-K312 IonicContact OE1-NZ 2.83Å; E257-K312 PolarHBondContact OE1-NZ 3.19Å; E257-K312 VanDerWaalsContact OE1-NZ 3.12Å; F309-K312 WeakPolarHBondContact O-CB 3.45Å; F309-K312 PolarHBondContact O-N 2.91Å; F309-K312 VanDerWaalsContact O-N 3.09Å; K312-K315 WeakPolarHBondContact O-CB 3.36Å; K312-K315 PolarHBondContact O-N 3.15Å; K312-M316 HydrophobicContact CG-CE 4.41Å; K312-M316 PolarHBondContact O-N 2.84Å
313L95.7Very high94Very high11 Ų1132 Ų326%0.05819%0.188CC..Hα-helixtrans-64.1-41.2177.2-72.2177.4000112.6V84 V258 F261 N304 A306 F309 S310 K315 M316V84-L313 HydrophobicContact CB-CD1 4.01Å; V84-L313 HydrophobicContact CG1-CD1 3.42Å; V84-L313 VanDerWaalsContact CG1-CD1 3.42Å; V84-L313 HydrophobicContact CG1-CD2 4.36Å; V258-L313 HydrophobicContact CB-CD2 4.15Å; V258-L313 HydrophobicContact CG1-CD2 3.99Å; F261-L313 HydrophobicContact CE2-CD2 4.23Å; F261-L313 HydrophobicContact CZ-CD2 4.34Å; N304-L313 WeakPolarHBondContact OD1-CD1 3.13Å; A306-L313 HydrophobicContact CB-CD1 3.32Å; A306-L313 HydrophobicContact CB-CG 4.4Å; F309-L313 PolarHBondContact O-N 2.84Å; F309-L313 VanDerWaalsContact O-N 3.09Å; S310-L313 PolarHBondContact O-N 3.12Å; L313-K315 VanDerWaalsContact C-N 3.27Å; L313-K315 PolarHBondContact O-N 3.49Å; L313-M316 HydrophobicContact CD2-CE 4.23Å; L313-M316 HydrophobicContact CD2-SD 3.69Å; L313-M316 WeakPolarHBondContact O-CB 3.4Å; L313-M316 PolarHBondContact O-N 2.79Å; L313-M316 VanDerWaalsContact O-N 3.12Å
314A94.9Very high93.1Very high1 Ų141.4 Ų41.41%0.00823%0.229CC..Hα-helixtrans-61.7-36.4176.700000112.2S310 G311 M316 V317 G318 I319 V332 F448S310-A314 PolarHBondContact O-N 2.99Å; G311-A314 PolarHBondContact O-N 2.74Å; A314-M316 VanDerWaalsContact C-N 3.3Å; A314-M316 PolarHBondContact O-N 3.38Å; A314-V317 WeakPolarHBondContact O-CG2 3.42Å; A314-V317 PolarHBondContact O-N 3.06Å; A314-G318 PolarHBondContact O-N 2.82Å; A314-I319 HydrophobicContact CB-CB 4.15Å; A314-I319 HydrophobicContact CB-CG2 4.44Å; A314-I319 WeakPolarHBondContact O-CB 3.29Å; A314-I319 PolarHBondContact O-N 2.82Å; A314-I319 VanDerWaalsContact O-N 3.08Å; A314-V332 HydrophobicContact CB-CB 4.12Å; A314-V332 HydrophobicContact CB-CG2 3.46Å; A314-V332 VanDerWaalsContact CB-CG2 3.46Å; A314-F448 HydrophobicContact CB-CE1 4.15Å; A314-F448 HydrophobicContact CB-CZ 4.21Å
315K95Very high92.2Very high112 Ų11249.6 Ų49.649%0.48727%0.273SS..Hα-helixtrans-63.8-31174.6-71173.4-176.5177.90113G311 K312 L313 V317 G318 I319 L321G311-K315 WeakPolarHBondContact O-CG 3.32Å; G311-K315 PolarHBondContact O-N 3.47Å; G311-K315 VanDerWaalsContact O-N 3.11Å; K312-K315 WeakPolarHBondContact O-CB 3.36Å; K312-K315 PolarHBondContact O-N 3.15Å; L313-K315 VanDerWaalsContact C-N 3.27Å; L313-K315 PolarHBondContact O-N 3.49Å; K315-V317 PolarHBondContact O-N 3.31Å; K315-G318 WeakPolarHBondContact O-CA 3.35Å; K315-G318 PolarHBondContact O-N 2.98Å; K315-I319 WeakPolarHBondContact CA-O 3.14Å; K315-L321 HydrophobicContact CG-CD2 4.36Å
316M95Very high91.3Very high48 Ų4850.9 Ų50.924%0.23628%0.282CS..Hα-helixtrans-63.7-31.2177.2-63.8172173.600112.4A259 F261 K312 L313 A314 G318A259-M316 WeakPolarHBondContact O-CE 3.39Å; A259-M316 VanDerWaalsContact O-SD 3.39Å; F261-M316 HydrophobicContact CD2-CB 3.88Å; F261-M316 HydrophobicContact CE2-CB 4.11Å; F261-M316 HydrophobicContact CE2-SD 4.16Å; K312-M316 HydrophobicContact CG-CE 4.41Å; K312-M316 PolarHBondContact O-N 2.84Å; L313-M316 HydrophobicContact CD2-CE 4.23Å; L313-M316 HydrophobicContact CD2-SD 3.69Å; L313-M316 WeakPolarHBondContact O-CB 3.4Å; L313-M316 PolarHBondContact O-N 2.79Å; L313-M316 VanDerWaalsContact O-N 3.12Å; A314-M316 VanDerWaalsContact C-N 3.3Å; A314-M316 PolarHBondContact O-N 3.38Å; M316-G318 VanDerWaalsContact C-N 3.26Å
317V92Very high90.4Very high0 Ų053.1 Ų53.10%029%0.291CS..THydrogen-bonded Turntrans-92.118170.9-70.40000112.3F261 K279 I281 A314 K315 I319 I443 M446F261-V317 HydrophobicContact CB-CG1 3.57Å; F261-V317 HydrophobicContact CD1-CG1 4.49Å; F261-V317 HydrophobicContact CD2-CG1 3.55Å; F261-V317 HydrophobicContact CE2-CG1 4.34Å; F261-V317 HydrophobicContact CG-CG1 3.62Å; K279-V317 WeakPolarHBondContact CD-O 3.49Å; K279-V317 WeakPolarHBondContact CE-O 3.18Å; K279-V317 PolarHBondContact NZ-O 2.86Å; I281-V317 HydrophobicContact CD1-CG1 4.13Å; I281-V317 HydrophobicContact CG1-CG1 4.2Å; A314-V317 WeakPolarHBondContact O-CG2 3.42Å; A314-V317 PolarHBondContact O-N 3.06Å; K315-V317 PolarHBondContact O-N 3.31Å; V317-I319 HydrophobicContact CG2-CG1 4.23Å; V317-I319 PolarHBondContact O-N 2.9Å; V317-I443 HydrophobicContact CB-CD1 4.37Å; V317-I443 HydrophobicContact CG2-CD1 3.49Å; V317-I443 VanDerWaalsContact CG2-CD1 3.49Å; V317-I443 HydrophobicContact CG2-CG1 4.45Å; V317-M446 HydrophobicContact CG2-SD 4.13Å
318G89.8Confident89.5Confident19 Ų1953.8 Ų53.820%0.19630%0.295CS..THydrogen-bonded Turntrans7021.3173.700000116.1A314 K315 M316A314-G318 PolarHBondContact O-N 2.82Å; K315-G318 WeakPolarHBondContact O-CA 3.35Å; K315-G318 PolarHBondContact O-N 2.98Å; M316-G318 VanDerWaalsContact C-N 3.26Å
319I90.5Very high88.8Confident2 Ų254.3 Ų54.31%0.0130%0.3CS..THydrogen-bonded Turntrans-77.7135.7169.6-59.3-51.6000109.4A314 K315 V317 L321 F330 V332 H440 L442 I443A314-I319 HydrophobicContact CB-CB 4.15Å; A314-I319 HydrophobicContact CB-CG2 4.44Å; A314-I319 WeakPolarHBondContact O-CB 3.29Å; A314-I319 PolarHBondContact O-N 2.82Å; A314-I319 VanDerWaalsContact O-N 3.08Å; K315-I319 WeakPolarHBondContact CA-O 3.14Å; V317-I319 HydrophobicContact CG2-CG1 4.23Å; V317-I319 PolarHBondContact O-N 2.9Å; I319-L321 VanDerWaalsContact C-N 3.28Å; I319-L321 PolarHBondContact O-N 3.14Å; I319-F330 VanDerWaalsContact CG2-O 3.23Å; I319-F330 WeakPolarHBondContact CG2-O 3.23Å; I319-V332 HydrophobicContact CG2-CG2 4.22Å; I319-H440 WeakPolarHBondContact CG2-NE2 3.44Å; I319-L442 HydrophobicContact CD1-CB 3.86Å; I319-L442 HydrophobicContact CD1-CD1 4.32Å; I319-I443 HydrophobicContact CD1-CD1 3.95Å; I319-I443 HydrophobicContact CD1-CG1 3.95Å; I319-I443 HydrophobicContact CG1-CD1 3.52Å; I319-I443 HydrophobicContact CG1-CG1 4.11Å
320G88.8Confident88.2Confident20 Ų2053.9 Ų53.921%0.20630%0.298CS..THydrogen-bonded Turntrans76.710.9-177.200000114.8A328 G329 F330G320-A328 PolarHBondContact N-O 2.95Å; G320-A328 VanDerWaalsContact N-O 3.15Å; G320-G329 WeakPolarHBondContact CA-O 3.43Å; G320-F330 WeakPolarHBondContact CA-O 3.4Å; G320-F330 PolarHBondContact N-O 2.86Å; G320-F330 VanDerWaalsContact N-O 3.1Å
321L88.9Confident87.9Confident119 Ų11956.3 Ų56.362%0.62332%0.315SS*.  trans-109.4-3179.3-58.1-172.5000113.3K315 I319 A328K315-L321 HydrophobicContact CG-CD2 4.36Å; I319-L321 VanDerWaalsContact C-N 3.28Å; I319-L321 PolarHBondContact O-N 3.14Å; L321-A328 PolarHBondContact N-O 3.34Å
322G85.5Confident87.8Confident28 Ų2856.4 Ų56.429%0.28931%0.314SS..SBendtrans-83.3-175.8175.200000114A328 G329G322-A328 PolarHBondContact N-O 2.83Å; G322-G329 VanDerWaalsContact C-CA 3.5Å; G322-G329 VanDerWaalsContact O-CA 3.27Å; G322-G329 WeakPolarHBondContact O-CA 3.37Å
323P84.4Confident87.8Confident97 Ų9752.2 Ų52.263%0.6330%0.298SS*.  trans-57.4138.1174-22.933.1000112.1D325 S326 G329P323-D325 PolarHBondContact O-N 3.39Å; P323-D325 VanDerWaalsContact O-N 3.12Å; P323-S326 WeakPolarHBondContact CD-OG 3.28Å; P323-S326 WeakPolarHBondContact O-CB 3.28Å; P323-S326 PolarHBondContact O-N 3.1Å; P323-S326 PolarHBondContact O-OG 2.86Å; P323-G329 VanDerWaalsContact O-CA 3.26Å; P323-G329 WeakPolarHBondContact O-CA 3.48Å; P323-G329 PolarHBondContact O-N 3.36Å
324K79.1Confident87.9Confident199 Ų19952 Ų5287%0.86530%0.297SS*.THydrogen-bonded Turntrans-53.7-35.2-173.1-71.9-172.4176.4-175.20114.2S326K324-S326 VanDerWaalsContact C-N 3.3Å; K324-S326 PolarHBondContact O-N 3.05Å
325D79.4Confident88Confident171 Ų17155.5 Ų55.591%0.91431%0.313SS*.THydrogen-bonded Turntrans-94.125.2-177.8-51.8-47.5000113.1P323P323-D325 PolarHBondContact O-N 3.39Å; P323-D325 VanDerWaalsContact O-N 3.12Å
326S80.1Confident88.1Confident35 Ų3551.7 Ų51.725%0.24530%0.3CS..SBendtrans-128.1156.5-179.974.50000111.6P323 K324 A328 G329 F330P323-S326 WeakPolarHBondContact CD-OG 3.28Å; P323-S326 WeakPolarHBondContact O-CB 3.28Å; P323-S326 PolarHBondContact O-N 3.1Å; P323-S326 PolarHBondContact O-OG 2.86Å; K324-S326 VanDerWaalsContact C-N 3.3Å; K324-S326 PolarHBondContact O-N 3.05Å; S326-A328 PolarHBondContact O-N 2.99Å; S326-A328 PolarHBondContact OG-N 2.78Å; S326-G329 PolarHBondContact O-N 3.4Å; S326-G329 PolarHBondContact OG-N 2.78Å; S326-F330 PolarHBondContact O-N 2.91Å
327L79.6Confident88.2Confident64 Ų6450.4 Ų50.434%0.33529%0.292SS..THydrogen-bonded Turntrans-53.2-29.9172.3-70.9173.2000112.6I276 F330 L442 L490I276-L327 HydrophobicContact CD1-CD1 4.34Å; L327-F330 WeakPolarHBondContact O-CB 3.36Å; L327-L442 VanDerWaalsContact C-CD1 3.47Å; L327-L442 HydrophobicContact CB-CD1 4.01Å; L327-L442 HydrophobicContact CB-CD2 4.19Å; L327-L442 HydrophobicContact CB-CG 4.29Å; L327-L442 VanDerWaalsContact O-CD1 3.27Å; L327-L442 WeakPolarHBondContact O-CD1 3.47Å; L327-L490 HydrophobicContact CD2-CD2 3.8Å
328A77.9Confident88.5Confident35 Ų3550.9 Ų50.929%0.28929%0.294SS..THydrogen-bonded Turntrans-78.6-26.2-179.700000113.4G320 L321 G322 S326 F330 L442G320-A328 PolarHBondContact N-O 2.95Å; G320-A328 VanDerWaalsContact N-O 3.15Å; L321-A328 PolarHBondContact N-O 3.34Å; G322-A328 PolarHBondContact N-O 2.83Å; S326-A328 PolarHBondContact O-N 2.99Å; S326-A328 PolarHBondContact OG-N 2.78Å; A328-F330 VanDerWaalsContact C-N 3.33Å; A328-L442 HydrophobicContact CB-CD1 4.06Å
329G81.8Confident88.9Confident15 Ų1550.8 Ų50.816%0.15529%0.288CS..THydrogen-bonded Turntrans-83.1-11.6172.800000113.5G320 G322 P323 S326 S331G320-G329 WeakPolarHBondContact CA-O 3.43Å; G322-G329 VanDerWaalsContact C-CA 3.5Å; G322-G329 VanDerWaalsContact O-CA 3.27Å; G322-G329 WeakPolarHBondContact O-CA 3.37Å; P323-G329 VanDerWaalsContact O-CA 3.26Å; P323-G329 WeakPolarHBondContact O-CA 3.48Å; P323-G329 PolarHBondContact O-N 3.36Å; S326-G329 PolarHBondContact O-N 3.4Å; S326-G329 PolarHBondContact OG-N 2.78Å; G329-S331 PolarHBondContact O-N 2.91Å
330F84.9Confident89.2Confident45 Ų4551.2 Ų51.220%0.19729%0.29CS..  trans-68.4118.1175.3-162.4-88.9000110.6I319 G320 S326 L327 A328 I489 L490I319-F330 VanDerWaalsContact CG2-O 3.23Å; I319-F330 WeakPolarHBondContact CG2-O 3.23Å; G320-F330 WeakPolarHBondContact CA-O 3.4Å; G320-F330 PolarHBondContact N-O 2.86Å; G320-F330 VanDerWaalsContact N-O 3.1Å; S326-F330 PolarHBondContact O-N 2.91Å; L327-F330 WeakPolarHBondContact O-CB 3.36Å; A328-F330 VanDerWaalsContact C-N 3.33Å; F330-I489 HydrophobicContact CE1-CB 4.24Å; F330-I489 HydrophobicContact CE1-CG2 3.53Å; F330-I489 HydrophobicContact CE2-CG2 4.06Å; F330-I489 HydrophobicContact CZ-CB 4.13Å; F330-I489 HydrophobicContact CZ-CG2 3.08Å; F330-L490 HydrophobicContact CD1-CD2 4.08Å; F330-L490 HydrophobicContact CG-CD2 4.05Å
331S90.2Very high89.7Confident51 Ų5150.7 Ų50.736%0.35728%0.282SS..  trans-94.2152.1179.966.50000111.4G329 P333G329-S331 PolarHBondContact O-N 2.91Å; S331-P333 VanDerWaalsContact O-CD 3.28Å; S331-P333 WeakPolarHBondContact O-CD 3.27Å
332V95.4Very high90.2Very high9 Ų945 Ų456%0.05525%0.253CS..  trans-68.4115.1167.2-179.50000108A314 I319 V334 I436 F448 F486A314-V332 HydrophobicContact CB-CB 4.12Å; A314-V332 HydrophobicContact CB-CG2 3.46Å; A314-V332 VanDerWaalsContact CB-CG2 3.46Å; I319-V332 HydrophobicContact CG2-CG2 4.22Å; V332-V334 HydrophobicContact CG1-CB 4.37Å; V332-V334 HydrophobicContact CG1-CG2 4.1Å; V332-V334 PolarHBondContact O-N 2.82Å; V332-I436 HydrophobicContact CG1-CD1 4.36Å; V332-F448 HydrophobicContact CG1-CD1 4.4Å; V332-F448 HydrophobicContact CG1-CE1 4.28Å; V332-F448 HydrophobicContact CG2-CD1 4.5Å; V332-F448 HydrophobicContact CG2-CE1 3.75Å; V332-F448 HydrophobicContact CG2-CZ 4.11Å; V332-F486 HydrophobicContact CG1-CE1 4.44Å; V332-F486 HydrophobicContact CG1-CZ 4.44Å; V332-F486 HydrophobicContact CG2-CE1 3.97Å; V332-F486 HydrophobicContact CG2-CZ 4.02Å
333P95.9Very high90.8Very high15 Ų1544.5 Ų44.510%0.09724%0.244CC..  trans-81.246-167.935.4-38.2000112.2S331 N429 T430 F431 I436 I489S331-P333 VanDerWaalsContact O-CD 3.28Å; S331-P333 WeakPolarHBondContact O-CD 3.27Å; P333-N429 WeakPolarHBondContact CG-OD1 3.33Å; P333-N429 CarbonylContact O-C 3.3Å; P333-N429 VanDerWaalsContact O-CA 3.26Å; P333-N429 WeakPolarHBondContact O-CA 3.41Å; P333-N429 PolarHBondContact O-OD1 2.71Å; P333-T430 PolarHBondContact O-N 3.25Å; P333-T430 PolarHBondContact O-OG1 2.52Å; P333-F431 HydrophobicContact CB-CB 4.21Å; P333-F431 HydrophobicContact CG-CB 3.99Å; P333-I436 HydrophobicContact CG-CD1 4.07Å; P333-I489 HydrophobicContact CG-CD1 4.09Å; P333-I489 HydrophobicContact CG-CG2 4.26Å
334V97.8Very high91.5Very high8 Ų839.9 Ų39.95%0.04821%0.214CC..EExtended strand (participates in β ladder)trans-118.6123.6-178.3-1800000110.2V332 D427 Y428 N429 I436 T450V332-V334 HydrophobicContact CG1-CB 4.37Å; V332-V334 HydrophobicContact CG1-CG2 4.1Å; V332-V334 PolarHBondContact O-N 2.82Å; V334-D427 HydrophobicContact CG1-CB 4.01Å; V334-Y428 WeakPolarHBondContact CA-O 3.48Å; V334-N429 HydrophobicContact CG2-CB 4.43Å; V334-I436 HydrophobicContact CG2-CD1 3.91Å; V334-T450 HydrophobicContact CG2-CG2 4.15Å
335E96.3Very high92.4Very high74 Ų7433.6 Ų33.635%0.34619%0.187SC..EExtended strand (participates in β ladder)trans-134.6157.4-17970.7-176.4-165.400112.1R337 Y428 T430E335-R337 PolarHBondContact O-N 3.02Å; E335-R337 IonicContact OE1-CZ 2.64Å; E335-R337 VanDerWaalsContact OE1-CZ 3.26Å; E335-R337 IonicContact OE1-NE 3.88Å; E335-R337 PolarHBondContact OE1-NE 3.49Å; E335-R337 IonicContact OE1-NH2 3.07Å; E335-R337 PolarHBondContact OE1-NH2 2.83Å; E335-Y428 PolarHBondContact N-O 2.87Å; E335-Y428 PolarHBondContact O-N 2.65Å; E335-T430 VanDerWaalsContact CD-CG2 3.45Å; E335-T430 HydrophobicContact CG-CG2 3.78Å; E335-T430 WeakPolarHBondContact OE1-CG2 3.26Å
336P97.4Very high93.2Very high31 Ų3125.6 Ų25.620%0.20115%0.145CC..EExtended strand (participates in β ladder)trans-66.4132.5169.426.9-32.5000110.4A308 T388 F425 Y426A308-P336 HydrophobicContact CB-CB 3.86Å; P336-T388 HydrophobicContact CB-CG2 4.21Å; P336-T388 HydrophobicContact CG-CG2 4.27Å; P336-T388 WeakPolarHBondContact O-CG2 3.11Å; P336-F425 HydrophobicContact CB-CB 4.23Å; P336-F425 HydrophobicContact CB-CD1 3.74Å; P336-F425 HydrophobicContact CB-CD2 4.44Å; P336-F425 HydrophobicContact CB-CE1 4.19Å; P336-F425 HydrophobicContact CB-CG 3.89Å; P336-Y426 WeakPolarHBondContact CA-O 3.39Å
337R97.1Very high93.9Very high21 Ų2128.4 Ų28.48%0.07916%0.163CC..EExtended strand (participates in β ladder)trans-122.3118.1163.3-69.9-70.3-176.1112.2-7.8109.1E335 E382 E385 F425 Y426 Y428E335-R337 PolarHBondContact O-N 3.02Å; E335-R337 IonicContact OE1-CZ 2.64Å; E335-R337 VanDerWaalsContact OE1-CZ 3.26Å; E335-R337 IonicContact OE1-NE 3.88Å; E335-R337 PolarHBondContact OE1-NE 3.49Å; E335-R337 IonicContact OE1-NH2 3.07Å; E335-R337 PolarHBondContact OE1-NH2 2.83Å; R337-E382 IonicContact CZ-OE1 2.67Å; R337-E382 IonicContact CZ-OE2 3.37Å; R337-E382 IonicContact NH1-OE1 2.74Å; R337-E382 PolarHBondContact NH1-OE1 2.87Å; R337-E382 VanDerWaalsContact NH1-OE1 3.12Å; R337-E382 IonicContact NH1-OE2 2.75Å; R337-E382 PolarHBondContact NH1-OE2 3.22Å; R337-E382 IonicContact NH2-OE1 2.79Å; R337-E382 PolarHBondContact NH2-OE1 3.1Å; R337-E382 IonicContact NH2-OE2 3.85Å; R337-E385 VanDerWaalsContact CD-CD 3.5Å; R337-E385 WeakPolarHBondContact CD-OE1 3.48Å; R337-E385 WeakPolarHBondContact CD-OE2 3.28Å; R337-E385 IonicContact CZ-OE1 3.23Å; R337-E385 IonicContact NE-OE1 3.53Å; R337-E385 IonicContact NH1-OE1 2.65Å; R337-E385 PolarHBondContact NH1-OE1 2.87Å; R337-F425 CarbonylContact O-C 3.47Å; R337-F425 WeakPolarHBondContact O-CA 3.42Å; R337-Y426 PolarHBondContact N-O 3.35Å; R337-Y426 PolarHBondContact O-N 3.18Å; R337-Y428 HydrophobicContact CB-CG 4.36Å; R337-Y428 HydrophobicContact CG-CD1 3.77Å; R337-Y428 HydrophobicContact CG-CD2 4.24Å; R337-Y428 HydrophobicContact CG-CG 3.53Å
338K97.9Very high94.6Very high10 Ų1031.5 Ų31.54%0.04318%0.179CC..EExtended strand (participates in β ladder)trans-77.6132.1-175178.5175.770.2175.70110.1Y340 P386 D387 T388 E392 A423 G424 F425K338-Y340 HydrophobicContact CD-CE1 4.01Å; K338-Y340 WeakPolarHBondContact CE-OH 3.26Å; K338-Y340 HydrophobicContact CG-CE1 4.16Å; K338-P386 HydrophobicContact CB-CG 4.01Å; K338-P386 HydrophobicContact CG-CG 4.41Å; K338-D387 WeakPolarHBondContact CE-O 3.48Å; K338-D387 PolarHBondContact NZ-O 3.15Å; K338-T388 HydrophobicContact CB-CG2 4.36Å; K338-E392 PolarHBondContact NZ-O 3.12Å; K338-A423 HydrophobicContact CD-CB 4.06Å; K338-A423 HydrophobicContact CG-CB 3.96Å; K338-G424 WeakPolarHBondContact CA-O 3.46Å; K338-F425 HydrophobicContact CB-CD1 3.97Å; K338-F425 HydrophobicContact CB-CE1 3.9Å; K338-F425 HydrophobicContact CG-CE1 4.43Å
339R97.6Very high95.4Very high18 Ų1830.6 Ų30.67%0.06817%0.174CC..EExtended strand (participates in β ladder)trans-124.2134.4-179.9-60.8-64172.1-106.210.6109E385 A423 G424 Y426R339-E385 IonicContact CZ-OE1 2.83Å; R339-E385 IonicContact CZ-OE2 2.76Å; R339-E385 IonicContact NH1-OE1 3.48Å; R339-E385 PolarHBondContact NH1-OE1 3.45Å; R339-E385 IonicContact NH1-OE2 3.12Å; R339-E385 PolarHBondContact NH1-OE2 2.88Å; R339-E385 IonicContact NH2-OE1 3.12Å; R339-E385 PolarHBondContact NH2-OE1 3.2Å; R339-E385 IonicContact NH2-OE2 2.75Å; R339-A423 VanDerWaalsContact O-CA 3.25Å; R339-A423 WeakPolarHBondContact O-CA 3.42Å; R339-G424 PolarHBondContact N-O 3.48Å; R339-G424 PolarHBondContact O-N 3.38Å; R339-Y426 HydrophobicContact CG-CD1 3.91Å; R339-Y426 HydrophobicContact CG-CD2 4.18Å; R339-Y426 HydrophobicContact CG-CE1 4.13Å; R339-Y426 HydrophobicContact CG-CE2 4.37Å; R339-Y426 HydrophobicContact CG-CG 3.96Å
340Y98.2Very high96.1Very high11 Ų1130 Ų304%0.04317%0.167CC..EExtended strand (participates in β ladder)trans-94137.8177.7-52-56.4000110.2K338 Y342 P386 E392 V393 D394 F397 A423K338-Y340 HydrophobicContact CD-CE1 4.01Å; K338-Y340 WeakPolarHBondContact CE-OH 3.26Å; K338-Y340 HydrophobicContact CG-CE1 4.16Å; Y340-Y342 WeakPolarHBondContact CB-OH 3.48Å; Y340-P386 HydrophobicContact CE2-CB 4.4Å; Y340-P386 HydrophobicContact CE2-CG 4.14Å; Y340-P386 WeakPolarHBondContact OH-CB 3.25Å; Y340-E392 WeakPolarHBondContact CE1-O 3.21Å; Y340-V393 HydrophobicContact CD1-CG1 4.28Å; Y340-D394 HydrophobicContact CD2-CB 4.48Å; Y340-D394 HydrophobicContact CE1-CB 4.2Å; Y340-D394 HydrophobicContact CE2-CB 3.79Å; Y340-F397 HydrophobicContact CD2-CB 4.34Å; Y340-F397 AromaticContact CD2-CD1 3.7Å; Y340-F397 HydrophobicContact CD2-CD1 3.7Å; Y340-F397 HydrophobicContact CD2-CE1 4.11Å; Y340-F397 HydrophobicContact CD2-CG 4.02Å; Y340-F397 HydrophobicContact CE2-CB 4.36Å; Y340-F397 HydrophobicContact CE2-CD1 4.32Å; Y340-F397 HydrophobicContact CE2-CG 4.2Å; Y340-A423 HydrophobicContact CD1-CB 3.95Å; Y340-A423 HydrophobicContact CE1-CB 4.35Å
341V98.4Very high96.5Very high8 Ų829.5 Ų29.55%0.04818%0.175CC..EExtended strand (participates in β ladder)trans-127.3132.2175-171.60000108.3I375 A421 W422V341-I375 HydrophobicContact CG1-CG2 3.5Å; V341-A421 CarbonylContact O-C 3.6Å; V341-A421 WeakPolarHBondContact O-CA 3.39Å; V341-A421 WeakPolarHBondContact O-CB 3.47Å; V341-W422 HydrophobicContact CB-CD2 3.92Å; V341-W422 HydrophobicContact CB-CE3 4.4Å; V341-W422 HydrophobicContact CB-CG 4.44Å; V341-W422 HydrophobicContact CB-CH2 4.19Å; V341-W422 HydrophobicContact CB-CZ2 3.67Å; V341-W422 HydrophobicContact CG1-CD2 4.3Å; V341-W422 HydrophobicContact CG1-CE3 4.44Å; V341-W422 HydrophobicContact CG1-CH2 3.49Å; V341-W422 VanDerWaalsContact CG1-CH2 3.49Å; V341-W422 HydrophobicContact CG1-CZ2 3.29Å; V341-W422 HydrophobicContact CG1-CZ3 4.08Å; V341-W422 HydrophobicContact CG2-CZ2 4.16Å; V341-W422 PolarHBondContact N-O 3.48Å; V341-W422 PolarHBondContact O-N 3Å
342Y98.8Very high96.5Very high0 Ų032.6 Ų32.60%019%0.187CC..EExtended strand (participates in β ladder)trans-117.4142.8-178.4-55.4-86.6000109.7Y340 I375 C376 V393 D394 F398 V402 V418 A421Y340-Y342 WeakPolarHBondContact CB-OH 3.48Å; Y342-I375 CarbonylContact O-C 3.56Å; Y342-I375 WeakPolarHBondContact O-CA 3.43Å; Y342-C376 PolarHBondContact N-O 3.38Å; Y342-C376 PolarHBondContact O-N 3.08Å; Y342-V393 HydrophobicContact CE1-CG1 3.61Å; Y342-D394 PolarHBondContact OH-O 3.49Å; Y342-F398 HydrophobicContact CD1-CB 3.99Å; Y342-F398 AromaticContact CD1-CD2 3.83Å; Y342-F398 HydrophobicContact CD1-CD2 3.83Å; Y342-F398 HydrophobicContact CD1-CG 4.12Å; Y342-F398 HydrophobicContact CD2-CB 4.45Å; Y342-F398 AromaticContact CD2-CD2 3.63Å; Y342-F398 HydrophobicContact CD2-CD2 3.63Å; Y342-F398 HydrophobicContact CD2-CE2 4.43Å; Y342-F398 HydrophobicContact CD2-CG 4.49Å; Y342-F398 HydrophobicContact CE1-CB 3.66Å; Y342-F398 HydrophobicContact CE1-CD2 4.3Å; Y342-F398 HydrophobicContact CE1-CG 4.3Å; Y342-F398 HydrophobicContact CE2-CB 4.13Å; Y342-F398 HydrophobicContact CE2-CD2 4.1Å; Y342-F398 HydrophobicContact CG-CB 4.38Å; Y342-F398 AromaticContact CG-CD2 3.48Å; Y342-F398 HydrophobicContact CG-CD2 3.48Å; Y342-F398 VanDerWaalsContact CG-CD2 3.48Å; Y342-F398 HydrophobicContact CG-CE2 4.15Å; Y342-F398 HydrophobicContact CG-CG 4.23Å; Y342-V402 HydrophobicContact CD2-CG2 4.35Å; Y342-V402 HydrophobicContact CE2-CG2 4.06Å; Y342-V418 HydrophobicContact CD1-CG1 4.47Å; Y342-A421 HydrophobicContact CD1-CB 3.59Å; Y342-A421 HydrophobicContact CE1-CB 4.02Å; Y342-A421 HydrophobicContact CG-CB 4.41Å
343V98.5Very high96.3Very high18 Ų1836.2 Ų36.211%0.10921%0.205CC..EExtended strand (participates in β ladder)trans-104.3123.6166.1-169.60000107.8N373 Y374 I375 V418 T419 S420 W422V343-N373 HydrophobicContact CG1-CB 4.28Å; V343-Y374 CarbonylContact C-O 3.11Å; V343-Y374 VanDerWaalsContact CA-O 3.28Å; V343-Y374 WeakPolarHBondContact CA-O 3.35Å; V343-I375 HydrophobicContact CG2-CG1 4.08Å; V343-V418 WeakPolarHBondContact O-CA 3.49Å; V343-T419 PolarHBondContact O-N 3.24Å; V343-T419 PolarHBondContact O-OG1 2.93Å; V343-S420 PolarHBondContact N-O 3.48Å; V343-S420 PolarHBondContact O-N 2.95Å; V343-W422 HydrophobicContact CG2-CE3 4.33Å; V343-W422 HydrophobicContact CG2-CH2 4.32Å; V343-W422 HydrophobicContact CG2-CZ3 3.48Å; V343-W422 VanDerWaalsContact CG2-CZ3 3.48Å
344V98.4Very high96.3Very high0 Ų035.5 Ų35.50%020%0.201CC..EExtended strand (participates in β ladder)trans-117.8144.2177.7-58.40000110.3N373 Y374 F398 L416 K417 V418V344-N373 CarbonylContact O-C 3.59Å; V344-N373 VanDerWaalsContact O-CA 3.28Å; V344-N373 WeakPolarHBondContact O-CA 3.33Å; V344-Y374 HydrophobicContact CG2-CD2 4.37Å; V344-Y374 PolarHBondContact N-O 3.31Å; V344-Y374 PolarHBondContact O-N 3.2Å; V344-F398 HydrophobicContact CG1-CE2 3.84Å; V344-F398 HydrophobicContact CG1-CZ 3.68Å; V344-L416 HydrophobicContact CB-CB 4.25Å; V344-L416 HydrophobicContact CB-CD1 4.24Å; V344-L416 HydrophobicContact CB-CD2 4.17Å; V344-L416 HydrophobicContact CB-CG 4.45Å; V344-L416 HydrophobicContact CG1-CD1 3.98Å; V344-L416 HydrophobicContact CG1-CD2 4.17Å; V344-L416 HydrophobicContact CG2-CD2 4.08Å; V344-K417 CarbonylContact C-O 3.59Å; V344-K417 VanDerWaalsContact CA-O 3.26Å; V344-K417 WeakPolarHBondContact CA-O 3.36Å; V344-V418 HydrophobicContact CG1-CG2 4.16Å
345H98.4Very high96.2Very high66 Ų6635.1 Ų35.131%0.30620%0.198SC..EExtended strand (participates in β ladder)trans-107.1126.1173.7-177.271.1000110.1G371 G372 N373 L416 K417 T419H345-G371 PolarHBondContact CE1-O 3.12Å; H345-G371 PolarHBondContact ND1-O 3.19Å; H345-G372 WeakPolarHBondContact CA-O 3.27Å; H345-G372 PolarHBondContact ND1-O 2.7Å; H345-N373 PolarHBondContact ND1-OD1 2.72Å; H345-L416 WeakPolarHBondContact O-CA 3.49Å; H345-K417 PolarHBondContact N-O 2.87Å; H345-K417 PolarHBondContact O-N 2.52Å; H345-T419 HydrophobicContact CB-CG2 3.56Å
346C97.8Very high96.3Very high3 Ų331.9 Ų31.92%0.0218%0.183CC..  trans-147.298.4176-174.60000108.9D348 G349 G372 Y374 A412 F413 L416C346-D348 PolarHBondContact O-N 2.95Å; C346-G349 PolarHBondContact O-N 3.11Å; C346-G372 CarbonylContact C-O 3.56Å; C346-G372 PolarHBondContact N-O 3.13Å; C346-Y374 HydrophobicContact CB-CD2 4.48Å; C346-Y374 HydrophobicContact CB-CE2 4.1Å; C346-A412 PolarHBondContact SG-O 3.44Å; C346-A412 VanDerWaalsContact SG-O 3.33Å; C346-F413 HydrophobicContact CB-CD1 3.81Å; C346-F413 HydrophobicContact CB-CE1 3.91Å; C346-L416 HydrophobicContact CB-CB 4.19Å
347P93.9Very high96.4Very high95 Ų9530.4 Ų30.462%0.61717%0.174SC*.THydrogen-bonded Turntrans-66.7-26.8-174.926-34000113.2G349P347-G349 VanDerWaalsContact C-N 3.28Å
348D94.4Very high96.4Very high129 Ų12929.7 Ų29.769%0.6917%0.171SC*.THydrogen-bonded Turntrans-89.910.1176.4-56.8-39.6000112.5C346 A412C346-D348 PolarHBondContact O-N 2.95Å; D348-A412 WeakPolarHBondContact O-CB 3.47Å
349G95.3Very high96.4Very high16 Ų1629.3 Ų29.317%0.16517%0.17CC..SBendtrans-77.1-176-177.100000114.4C346 P347 Y374C346-G349 PolarHBondContact O-N 3.11Å; P347-G349 VanDerWaalsContact C-N 3.28Å; G349-Y374 WeakPolarHBondContact CA-OH 3.26Å
350P96Very high96.3Very high2 Ų232.3 Ų32.31%0.01318%0.182CC..  trans-54.4136.4179.7-28.337.2000114.7W214 S354 F365 Y374 V410 F413W214-P350 HydrophobicContact CD2-CB 3.85Å; W214-P350 HydrophobicContact CD2-CG 3.74Å; W214-P350 HydrophobicContact CE3-CB 4.2Å; W214-P350 HydrophobicContact CE3-CG 3.65Å; W214-P350 HydrophobicContact CG-CB 4.28Å; W214-P350 HydrophobicContact CG-CG 4.29Å; W214-P350 HydrophobicContact CH2-CB 4.39Å; W214-P350 HydrophobicContact CH2-CG 4.35Å; W214-P350 HydrophobicContact CZ2-CB 4.03Å; W214-P350 HydrophobicContact CZ2-CG 4.42Å; W214-P350 HydrophobicContact CZ3-CB 4.46Å; W214-P350 HydrophobicContact CZ3-CG 3.97Å; P350-S354 WeakPolarHBondContact CB-OG 3.25Å; P350-F365 HydrophobicContact CB-CE2 4.46Å; P350-F365 HydrophobicContact CG-CE2 4.04Å; P350-F365 HydrophobicContact CG-CZ 4.09Å; P350-Y374 HydrophobicContact CB-CE1 4.16Å; P350-Y374 HydrophobicContact CG-CE1 4.34Å; P350-Y374 VanDerWaalsContact N-OH 3.09Å; P350-Y374 PolarHBondContact O-OH 2.67Å; P350-V410 HydrophobicContact CG-CG1 3.74Å; P350-F413 HydrophobicContact CG-CZ 4.16Å
351G92.4Very high96.2Very high35 Ų3533.5 Ų33.536%0.36119%0.192SC..  trans-77.9-167.4-176.800000115.2D353 S354 R367G351-D353 PolarHBondContact O-N 3.19Å; G351-D353 VanDerWaalsContact O-N 3.14Å; G351-S354 VanDerWaalsContact O-CB 3.29Å; G351-S354 WeakPolarHBondContact O-CB 3Å; G351-S354 PolarHBondContact O-N 2.9Å; G351-R367 WeakPolarHBondContact O-CD 3.34Å
352L91.1Very high96.1Very high116 Ų11633.9 Ų33.961%0.60720%0.197SC*.THydrogen-bonded Turntrans-56.6-29.1-174.5-72.7170.4000114.9S172 S354 R367 L370S172-L352 PolarHBondContact OG-O 3.19Å; L352-S354 VanDerWaalsContact C-N 3.27Å; L352-S354 PolarHBondContact O-N 3.36Å; L352-R367 VanDerWaalsContact CD2-CZ 3.48Å; L352-R367 VanDerWaalsContact CD2-NH1 3.31Å; L352-L370 HydrophobicContact CD2-CD2 3.42Å; L352-L370 VanDerWaalsContact CD2-CD2 3.42Å
353D90.4Very high96Very high84 Ų8433.9 Ų33.945%0.44920%0.197SC..THydrogen-bonded Turntrans-80.6-2.9179.863.8-23.8000113.7F212 G351F212-D353 WeakPolarHBondContact CE1-O 3.34Å; G351-D353 PolarHBondContact O-N 3.19Å; G351-D353 VanDerWaalsContact O-N 3.14Å
354S95.7Very high96Very high0 Ų034.4 Ų34.40%020%0.197CC..  trans-62.6125.7179.8-165.80000111S172 P350 G351 L352S172-S354 VanDerWaalsContact CB-O 3.28Å; S172-S354 WeakPolarHBondContact CB-O 3.39Å; P350-S354 WeakPolarHBondContact CB-OG 3.25Å; G351-S354 VanDerWaalsContact O-CB 3.29Å; G351-S354 WeakPolarHBondContact O-CB 3Å; G351-S354 PolarHBondContact O-N 2.9Å; L352-S354 VanDerWaalsContact C-N 3.27Å; L352-S354 PolarHBondContact O-N 3.36Å
355P97.1Very high96Very high0 Ų034.4 Ų34.40%020%0.197CC..  trans-77.3172.417835.1-36.1000110.8S172 L175 F212 Y225 L357S172-P355 WeakPolarHBondContact O-CA 3.47Å; S172-P355 WeakPolarHBondContact O-CB 3.07Å; L175-P355 HydrophobicContact CB-CB 3.93Å; L175-P355 HydrophobicContact CB-CG 3.52Å; L175-P355 HydrophobicContact CD2-CG 3.99Å; L175-P355 HydrophobicContact CG-CG 4.41Å; F212-P355 HydrophobicContact CE1-CG 4.23Å; F212-P355 HydrophobicContact CE2-CG 4.37Å; F212-P355 HydrophobicContact CZ-CG 3.94Å; Y225-P355 HydrophobicContact CD2-CB 4.48Å; Y225-P355 HydrophobicContact CE2-CB 3.84Å; P355-L357 PolarHBondContact O-N 3.09Å; P355-L357 VanDerWaalsContact O-N 3.13Å
356F98.1Very high96Very high6 Ų631.9 Ų31.93%0.02619%0.185CC..EExtended strand (participates in β ladder)trans-70.7106.2158.9-157.5127000107.4A127 G173 Y174 L175 W232 I358 Y364 R366A127-F356 HydrophobicContact CB-CE1 4.3Å; A127-F356 HydrophobicContact CB-CZ 4.1Å; G173-F356 PolarHBondContact O-N 2.79Å; Y174-F356 CarbonylContact C-O 3.52Å; Y174-F356 WeakPolarHBondContact CA-O 3.35Å; Y174-F356 HydrophobicContact CD1-CB 3.9Å; Y174-F356 HydrophobicContact CD1-CD2 4.07Å; Y174-F356 HydrophobicContact CD1-CG 4.12Å; Y174-F356 HydrophobicContact CD2-CB 3.73Å; Y174-F356 HydrophobicContact CD2-CG 4.27Å; Y174-F356 HydrophobicContact CE1-CB 3.79Å; Y174-F356 HydrophobicContact CE1-CD1 4.17Å; Y174-F356 AromaticContact CE1-CD2 3.31Å; Y174-F356 HydrophobicContact CE1-CD2 3.31Å; Y174-F356 AromaticContact CE1-CE2 3.9Å; Y174-F356 HydrophobicContact CE1-CE2 3.9Å; Y174-F356 AromaticContact CE1-CG 3.49Å; Y174-F356 HydrophobicContact CE1-CG 3.49Å; Y174-F356 VanDerWaalsContact CE1-CG 3.49Å; Y174-F356 HydrophobicContact CE2-CB 3.64Å; Y174-F356 AromaticContact CE2-CD1 3.79Å; Y174-F356 HydrophobicContact CE2-CD1 3.79Å; Y174-F356 HydrophobicContact CE2-CD2 4.37Å; Y174-F356 AromaticContact CE2-CG 3.68Å; Y174-F356 HydrophobicContact CE2-CG 3.68Å; Y174-F356 HydrophobicContact CG-CB 3.86Å; Y174-F356 HydrophobicContact CG-CG 4.46Å; Y174-F356 AromaticContact CZ-CD1 3.46Å; Y174-F356 VanDerWaalsContact CZ-CD1 3.46Å; Y174-F356 AromaticContact CZ-CD2 3.5Å; Y174-F356 AromaticContact CZ-CE1 3.94Å; Y174-F356 AromaticContact CZ-CE2 3.96Å; Y174-F356 AromaticContact CZ-CG 3.23Å; Y174-F356 WeakPolarHBondContact OH-CD1 3.48Å; Y174-F356 WeakPolarHBondContact OH-CE1 3.29Å; Y174-F356 WeakPolarHBondContact OH-CG 3.25Å; Y174-F356 WeakPolarHBondContact OH-CZ 3.45Å; L175-F356 PolarHBondContact N-O 2.88Å; W232-F356 HydrophobicContact CB-CD1 4.23Å; W232-F356 HydrophobicContact CE3-CB 4.05Å; W232-F356 HydrophobicContact CE3-CD1 4.11Å; W232-F356 HydrophobicContact CZ3-CB 4.27Å; F356-I358 HydrophobicContact CD2-CD1 3.96Å; F356-I358 HydrophobicContact CE2-CD1 3.8Å; F356-Y364 AromaticContact CE2-CD2 3.69Å; F356-Y364 HydrophobicContact CE2-CD2 3.69Å; F356-Y364 HydrophobicContact CE2-CG 4.15Å; F356-Y364 AromaticContact CZ-CD2 3.89Å; F356-Y364 HydrophobicContact CZ-CD2 3.89Å; F356-Y364 HydrophobicContact CZ-CE2 4.32Å; F356-R366 HydrophobicContact CB-CB 4.26Å; F356-R366 HydrophobicContact CD1-CB 3.6Å; F356-R366 HydrophobicContact CD1-CG 3.78Å; F356-R366 HydrophobicContact CD2-CB 4.38Å; F356-R366 HydrophobicContact CE1-CB 3.96Å; F356-R366 HydrophobicContact CE1-CG 3.63Å; F356-R366 HydrophobicContact CG-CB 3.83Å; F356-R366 HydrophobicContact CG-CG 4.44Å; F356-R366 HydrophobicContact CZ-CB 4.49Å; F356-R366 HydrophobicContact CZ-CG 4.19Å
357L98.4Very high95.9Very high0 Ų032.5 Ų32.50%019%0.187CC..EExtended strand (participates in β ladder)trans-94132.5-174.8-175.8150.8000110.5L175 L177 W214 I215 P355 D359 Y364 F365 R409L175-L357 HydrophobicContact CD2-CD1 4.23Å; L175-L357 WeakPolarHBondContact O-CA 3.4Å; L177-L357 HydrophobicContact CD1-CD1 4.3Å; L177-L357 HydrophobicContact CD1-CD2 4.41Å; W214-L357 HydrophobicContact CH2-CD1 4.09Å; W214-L357 HydrophobicContact CZ3-CD1 4.19Å; I215-L357 HydrophobicContact CD1-CD1 3.65Å; I215-L357 HydrophobicContact CG1-CD1 4.39Å; P355-L357 PolarHBondContact O-N 3.09Å; P355-L357 VanDerWaalsContact O-N 3.13Å; L357-D359 HydrophobicContact CD2-CB 4.21Å; L357-Y364 WeakPolarHBondContact O-CA 3.26Å; L357-Y364 WeakPolarHBondContact O-CB 3.44Å; L357-F365 HydrophobicContact CB-CD1 4.05Å; L357-F365 HydrophobicContact CB-CE1 3.7Å; L357-F365 HydrophobicContact CB-CZ 4.11Å; L357-F365 HydrophobicContact CD1-CE1 3.81Å; L357-F365 HydrophobicContact CD1-CZ 4.22Å; L357-F365 HydrophobicContact CD2-CD1 4.15Å; L357-F365 HydrophobicContact CD2-CE1 3.9Å; L357-F365 HydrophobicContact CG-CE1 4.01Å; L357-F365 PolarHBondContact N-O 3.2Å; L357-F365 PolarHBondContact O-N 3.13Å; L357-R409 HydrophobicContact CD1-CG 4.28Å; L357-R409 HydrophobicContact CD2-CG 4.14Å
358I98.1Very high96Very high6 Ų631.7 Ų31.73%0.03118%0.175CC..EExtended strand (participates in β ladder)trans-119.1120.8167.1-51.1-59.9000108.3Y174 L175 F176 L177 F356 Y364 V501Y174-I358 HydrophobicContact CD1-CG1 4.14Å; Y174-I358 HydrophobicContact CE1-CD1 4.12Å; Y174-I358 HydrophobicContact CE1-CG1 4.05Å; L175-I358 PolarHBondContact O-N 3.44Å; F176-I358 WeakPolarHBondContact CA-O 3.46Å; F176-I358 HydrophobicContact CD1-CB 3.62Å; F176-I358 HydrophobicContact CD1-CG1 4.04Å; F176-I358 HydrophobicContact CD1-CG2 3.79Å; F176-I358 HydrophobicContact CE1-CB 3.69Å; F176-I358 HydrophobicContact CE1-CG1 3.64Å; F176-I358 HydrophobicContact CE1-CG2 3.72Å; F176-I358 HydrophobicContact CE2-CG1 4.22Å; F176-I358 HydrophobicContact CG-CB 4.18Å; F176-I358 HydrophobicContact CZ-CB 4.29Å; F176-I358 HydrophobicContact CZ-CG1 3.76Å; L177-I358 PolarHBondContact N-O 3.32Å; F356-I358 HydrophobicContact CD2-CD1 3.96Å; F356-I358 HydrophobicContact CE2-CD1 3.8Å; I358-Y364 HydrophobicContact CD1-CG 4.3Å; I358-V501 HydrophobicContact CG2-CB 3.75Å; I358-V501 HydrophobicContact CG2-CG1 4.12Å; I358-V501 HydrophobicContact CG2-CG2 3.5Å; I358-V501 VanDerWaalsContact CG2-CG2 3.5Å
359D97.9Very high95.8Very high3 Ų327.7 Ų27.72%0.01617%0.165CC..  trans-89.8152.3174.7-171.560.4000111.8L357 S361 G362 V363 R409L357-D359 HydrophobicContact CD2-CB 4.21Å; D359-S361 PolarHBondContact O-N 3.44Å; D359-S361 VanDerWaalsContact O-N 3.13Å; D359-S361 WeakPolarHBondContact OD2-CB 3.41Å; D359-S361 PolarHBondContact OD2-N 2.96Å; D359-S361 PolarHBondContact OD2-OG 2.73Å; D359-G362 WeakPolarHBondContact O-CA 3.42Å; D359-G362 PolarHBondContact O-N 3.32Å; D359-V363 HydrophobicContact CB-CG1 3.71Å; D359-V363 WeakPolarHBondContact CB-O 3.46Å; D359-V363 PolarHBondContact N-O 3.23Å; D359-R409 IonicContact OD1-CZ 2.67Å; D359-R409 IonicContact OD1-NE 3.51Å; D359-R409 PolarHBondContact OD1-NE 3.22Å; D359-R409 IonicContact OD1-NH2 3.73Å; D359-R409 PolarHBondContact OD1-NH2 2.72Å; D359-R409 IonicContact OD2-NH2 3.11Å
360Y95.7Very high95.5Very high80 Ų8033.8 Ų33.831%0.31419%0.192SC..THydrogen-bonded Turntrans-62.4-18.2174.757.1-102.6000113.4L177 S179 G219 V220 G362 R409L177-Y360 HydrophobicContact CB-CD1 4.28Å; L177-Y360 WeakPolarHBondContact O-CB 3.46Å; L177-Y360 PolarHBondContact O-N 3.18Å; S179-Y360 VanDerWaalsContact N-CD1 3.33Å; G219-Y360 WeakPolarHBondContact CA-OH 3.21Å; G219-Y360 WeakPolarHBondContact O-CE1 3.05Å; G219-Y360 PolarHBondContact O-OH 3.01Å; V220-Y360 HydrophobicContact CG2-CE1 4.17Å; Y360-G362 PolarHBondContact O-N 2.88Å; Y360-R409 VanDerWaalsContact CZ-NH2 3.31Å; Y360-R409 PolarHBondContact OH-NH2 3.31Å
361S95.4Very high95.2Very high37 Ų3735.9 Ų35.926%0.25922%0.215SC..THydrogen-bonded Turntrans-75.50.5170.569.10000114.1D359 V363 K405D359-S361 PolarHBondContact O-N 3.44Å; D359-S361 VanDerWaalsContact O-N 3.13Å; D359-S361 WeakPolarHBondContact OD2-CB 3.41Å; D359-S361 PolarHBondContact OD2-N 2.96Å; D359-S361 PolarHBondContact OD2-OG 2.73Å; S361-V363 VanDerWaalsContact C-N 3.31Å; S361-V363 PolarHBondContact O-N 2.71Å; S361-K405 PolarHBondContact O-NZ 3.32Å
362G95.6Very high95.3Very high15 Ų1534.8 Ų34.816%0.15520%0.204CC..SBendtrans86.5-9.8-179.700000114.6D359 Y360D359-G362 WeakPolarHBondContact O-CA 3.42Å; D359-G362 PolarHBondContact O-N 3.32Å; Y360-G362 PolarHBondContact O-N 2.88Å
363V98Very high95.6Very high0 Ų031.6 Ų31.60%019%0.187CC..  trans-71140177.675.90000110.3D359 S361 G377 V402 K405 L406D359-V363 HydrophobicContact CB-CG1 3.71Å; D359-V363 WeakPolarHBondContact CB-O 3.46Å; D359-V363 PolarHBondContact N-O 3.23Å; S361-V363 VanDerWaalsContact C-N 3.31Å; S361-V363 PolarHBondContact O-N 2.71Å; V363-G377 WeakPolarHBondContact CA-O 3.36Å; V363-V402 HydrophobicContact CG2-CG1 4.18Å; V363-K405 HydrophobicContact CB-CB 3.78Å; V363-K405 HydrophobicContact CB-CD 4.13Å; V363-K405 HydrophobicContact CG1-CB 3.62Å; V363-K405 HydrophobicContact CG2-CB 4.21Å; V363-L406 HydrophobicContact CG1-CD2 4.5Å; V363-L406 HydrophobicContact CG2-CD2 3.61Å; V363-L406 HydrophobicContact CG2-CG 3.73Å
364Y98.4Very high96Very high29 Ų2927.8 Ų27.811%0.11417%0.166CC..EExtended strand (participates in β ladder)trans-127155.8173.469.7-93.9000112A127 F356 L357 I358 C376 G377A127-Y364 HydrophobicContact CB-CE2 4.31Å; F356-Y364 AromaticContact CE2-CD2 3.69Å; F356-Y364 HydrophobicContact CE2-CD2 3.69Å; F356-Y364 HydrophobicContact CE2-CG 4.15Å; F356-Y364 AromaticContact CZ-CD2 3.89Å; F356-Y364 HydrophobicContact CZ-CD2 3.89Å; F356-Y364 HydrophobicContact CZ-CE2 4.32Å; L357-Y364 WeakPolarHBondContact O-CA 3.26Å; L357-Y364 WeakPolarHBondContact O-CB 3.44Å; I358-Y364 HydrophobicContact CD1-CG 4.3Å; Y364-C376 WeakPolarHBondContact O-CA 3.37Å; Y364-C376 WeakPolarHBondContact O-CB 3.43Å; Y364-G377 WeakPolarHBondContact CD1-O 3.14Å; Y364-G377 VanDerWaalsContact CE1-C 3.43Å; Y364-G377 WeakPolarHBondContact CE1-O 3.17Å; Y364-G377 PolarHBondContact N-O 3.3Å; Y364-G377 PolarHBondContact O-N 2.84Å
365F98.4Very high96.1Very high1 Ų128.2 Ų28.20%0.00417%0.168CC..EExtended strand (participates in β ladder)trans-151.1159.3160.876.2-84.5000112.3W214 P350 L357 Y374 I375 C376 L406 V410 F413W214-F365 AromaticContact CH2-CZ 3.91Å; W214-F365 HydrophobicContact CH2-CZ 3.91Å; W214-F365 HydrophobicContact CZ3-CE1 4.49Å; W214-F365 AromaticContact CZ3-CZ 3.81Å; W214-F365 HydrophobicContact CZ3-CZ 3.81Å; P350-F365 HydrophobicContact CB-CE2 4.46Å; P350-F365 HydrophobicContact CG-CE2 4.04Å; P350-F365 HydrophobicContact CG-CZ 4.09Å; L357-F365 HydrophobicContact CB-CD1 4.05Å; L357-F365 HydrophobicContact CB-CE1 3.7Å; L357-F365 HydrophobicContact CB-CZ 4.11Å; L357-F365 HydrophobicContact CD1-CE1 3.81Å; L357-F365 HydrophobicContact CD1-CZ 4.22Å; L357-F365 HydrophobicContact CD2-CD1 4.15Å; L357-F365 HydrophobicContact CD2-CE1 3.9Å; L357-F365 HydrophobicContact CG-CE1 4.01Å; L357-F365 PolarHBondContact N-O 3.2Å; L357-F365 PolarHBondContact O-N 3.13Å; F365-Y374 AromaticContact CD2-CD1 3.89Å; F365-Y374 HydrophobicContact CD2-CD1 3.89Å; F365-Y374 HydrophobicContact CE2-CD1 4.16Å; F365-I375 CarbonylContact C-O 3.53Å; F365-I375 WeakPolarHBondContact CA-O 3.43Å; F365-C376 HydrophobicContact CB-CB 3.75Å; F365-L406 HydrophobicContact CB-CD2 4.11Å; F365-L406 HydrophobicContact CD1-CD2 4Å; F365-L406 HydrophobicContact CG-CD2 4.39Å; F365-V410 HydrophobicContact CE1-CG2 3.61Å; F365-V410 HydrophobicContact CZ-CG2 3.75Å; F365-F413 HydrophobicContact CD1-CE2 4.05Å; F365-F413 AromaticContact CD2-CE2 3.95Å; F365-F413 HydrophobicContact CD2-CE2 3.95Å; F365-F413 HydrophobicContact CD2-CZ 4.04Å; F365-F413 HydrophobicContact CE1-CE2 4.1Å; F365-F413 HydrophobicContact CE2-CE2 4.03Å; F365-F413 HydrophobicContact CE2-CZ 4.03Å; F365-F413 AromaticContact CG-CE2 3.97Å; F365-F413 HydrophobicContact CG-CE2 3.97Å; F365-F413 HydrophobicContact CG-CZ 4.49Å; F365-F413 HydrophobicContact CZ-CE2 4.1Å; F365-F413 HydrophobicContact CZ-CZ 4.46Å
366R97.8Very high96.2Very high12 Ų1228.2 Ų28.25%0.04517%0.168CC..EExtended strand (participates in β ladder)trans-141.8163163.861.9149.5-179.491.5-6.6110A127 W232 F356 E368 Y374 I375A127-R366 VanDerWaalsContact O-CZ 3.3Å; A127-R366 PolarHBondContact O-NE 2.93Å; A127-R366 PolarHBondContact O-NH2 3.17Å; W232-R366 HydrophobicContact CD2-CB 4.27Å; W232-R366 HydrophobicContact CD2-CG 4.48Å; W232-R366 HydrophobicContact CE3-CB 4.1Å; W232-R366 HydrophobicContact CZ3-CB 4.22Å; F356-R366 HydrophobicContact CB-CB 4.26Å; F356-R366 HydrophobicContact CD1-CB 3.6Å; F356-R366 HydrophobicContact CD1-CG 3.78Å; F356-R366 HydrophobicContact CD2-CB 4.38Å; F356-R366 HydrophobicContact CE1-CB 3.96Å; F356-R366 HydrophobicContact CE1-CG 3.63Å; F356-R366 HydrophobicContact CG-CB 3.83Å; F356-R366 HydrophobicContact CG-CG 4.44Å; F356-R366 HydrophobicContact CZ-CB 4.49Å; F356-R366 HydrophobicContact CZ-CG 4.19Å; R366-E368 IonicContact CZ-OE2 3.99Å; R366-E368 IonicContact NH1-OE2 2.86Å; R366-E368 PolarHBondContact NH1-OE2 2.96Å; R366-E368 IonicContact NH2-OE2 2.78Å; R366-E368 PolarHBondContact NH2-OE2 3.13Å; R366-Y374 CarbonylContact O-C 3.57Å; R366-Y374 WeakPolarHBondContact O-CA 3.36Å; R366-Y374 WeakPolarHBondContact O-CB 3.45Å; R366-I375 HydrophobicContact CG-CB 4.3Å; R366-I375 PolarHBondContact N-O 3.29Å; R366-I375 PolarHBondContact O-N 3.39Å
367R96.2Very high96.2Very high16 Ų1627.9 Ų27.96%0.0617%0.167CC..EExtended strand (participates in β ladder)trans-67.6150.4171.7-77171.616.1102.912.7112.1W232 G351 L352 G369 Y374W232-R367 HydrophobicContact CH2-CB 4.35Å; W232-R367 HydrophobicContact CZ2-CB 4Å; G351-R367 WeakPolarHBondContact O-CD 3.34Å; L352-R367 VanDerWaalsContact CD2-CZ 3.48Å; L352-R367 VanDerWaalsContact CD2-NH1 3.31Å; R367-G369 PolarHBondContact NH2-O 2.76Å; R367-Y374 HydrophobicContact CB-CD1 4.46Å; R367-Y374 HydrophobicContact CG-CD1 3.81Å; R367-Y374 HydrophobicContact CG-CE1 3.5Å; R367-Y374 VanDerWaalsContact CG-CE1 3.5Å
368E95Very high96.1Very high78 Ų7828.4 Ų28.436%0.36417%0.17SC..EExtended strand (participates in β ladder)trans-127.4112170.3179.654.6-144.600109.3R366 N373 I375R366-E368 IonicContact CZ-OE2 3.99Å; R366-E368 IonicContact NH1-OE2 2.86Å; R366-E368 PolarHBondContact NH1-OE2 2.96Å; R366-E368 IonicContact NH2-OE2 2.78Å; R366-E368 PolarHBondContact NH2-OE2 3.13Å; E368-N373 HydrophobicContact CB-CB 4.15Å; E368-N373 PolarHBondContact N-O 2.85Å; E368-N373 WeakPolarHBondContact O-CB 3.34Å; E368-I375 HydrophobicContact CB-CD1 4.11Å; E368-I375 HydrophobicContact CB-CG1 4.19Å; E368-I375 HydrophobicContact CG-CD1 4.02Å; E368-I375 HydrophobicContact CG-CG1 4.46Å; E368-I375 WeakPolarHBondContact OE2-CD1 3.45Å
369G90.6Very high96Very high46 Ų4630.2 Ų30.247%0.47418%0.183SC..THydrogen-bonded Turntrans62.2-155.5-173.800000114.3R367R367-G369 PolarHBondContact NH2-O 2.76Å
370L88.6Confident95.9Very high143 Ų14330.5 Ų30.575%0.74919%0.185SC*.THydrogen-bonded Turntrans-108.5-8.5-176.6-57.4-178.3000113.7L352 G372L352-L370 HydrophobicContact CD2-CD2 3.42Å; L352-L370 VanDerWaalsContact CD2-CD2 3.42Å; L370-G372 VanDerWaalsContact C-N 3.34Å; L370-G372 PolarHBondContact O-N 2.75Å
371G90.5Very high95.8Very high47 Ų4732.4 Ų32.449%0.48520%0.197SC..THydrogen-bonded Turntrans-91.329.5-169.100000115.1H345 N373H345-G371 PolarHBondContact CE1-O 3.12Å; H345-G371 PolarHBondContact ND1-O 3.19Å; G371-N373 VanDerWaalsContact C-N 3.31Å; G371-N373 PolarHBondContact O-N 2.74Å
372G94.9Very high95.6Very high12 Ų1236.3 Ų36.312%0.12421%0.211CC..THydrogen-bonded Turntrans65.930.7-178.800000113.9H345 C346 L370 Y374H345-G372 WeakPolarHBondContact CA-O 3.27Å; H345-G372 PolarHBondContact ND1-O 2.7Å; C346-G372 CarbonylContact C-O 3.56Å; C346-G372 PolarHBondContact N-O 3.13Å; L370-G372 VanDerWaalsContact C-N 3.34Å; L370-G372 PolarHBondContact O-N 2.75Å; G372-Y374 VanDerWaalsContact O-CE2 3.29Å; G372-Y374 WeakPolarHBondContact O-CE2 3.5Å
373N97.4Very high95.5Very high48 Ų4840.3 Ų40.326%0.25724%0.243SC..EExtended strand (participates in β ladder)trans-99149.6171.8-54.4-48.9000110.2V343 V344 H345 E368 G371V343-N373 HydrophobicContact CG1-CB 4.28Å; V344-N373 CarbonylContact O-C 3.59Å; V344-N373 VanDerWaalsContact O-CA 3.28Å; V344-N373 WeakPolarHBondContact O-CA 3.33Å; H345-N373 PolarHBondContact ND1-OD1 2.72Å; E368-N373 HydrophobicContact CB-CB 4.15Å; E368-N373 PolarHBondContact N-O 2.85Å; E368-N373 WeakPolarHBondContact O-CB 3.34Å; G371-N373 VanDerWaalsContact C-N 3.31Å; G371-N373 PolarHBondContact O-N 2.74Å
374Y98.4Very high95.3Very high5 Ų544.5 Ų44.52%0.0226%0.263CS..EExtended strand (participates in β ladder)trans-139.2140.2-179.8-52.7-93.7000109.7V343 V344 C346 G349 P350 F365 R366 R367 G372 F413V343-Y374 CarbonylContact C-O 3.11Å; V343-Y374 VanDerWaalsContact CA-O 3.28Å; V343-Y374 WeakPolarHBondContact CA-O 3.35Å; V344-Y374 HydrophobicContact CG2-CD2 4.37Å; V344-Y374 PolarHBondContact N-O 3.31Å; V344-Y374 PolarHBondContact O-N 3.2Å; C346-Y374 HydrophobicContact CB-CD2 4.48Å; C346-Y374 HydrophobicContact CB-CE2 4.1Å; G349-Y374 WeakPolarHBondContact CA-OH 3.26Å; P350-Y374 HydrophobicContact CB-CE1 4.16Å; P350-Y374 HydrophobicContact CG-CE1 4.34Å; P350-Y374 VanDerWaalsContact N-OH 3.09Å; P350-Y374 PolarHBondContact O-OH 2.67Å; F365-Y374 AromaticContact CD2-CD1 3.89Å; F365-Y374 HydrophobicContact CD2-CD1 3.89Å; F365-Y374 HydrophobicContact CE2-CD1 4.16Å; R366-Y374 CarbonylContact O-C 3.57Å; R366-Y374 WeakPolarHBondContact O-CA 3.36Å; R366-Y374 WeakPolarHBondContact O-CB 3.45Å; R367-Y374 HydrophobicContact CB-CD1 4.46Å; R367-Y374 HydrophobicContact CG-CD1 3.81Å; R367-Y374 HydrophobicContact CG-CE1 3.5Å; R367-Y374 VanDerWaalsContact CG-CE1 3.5Å; G372-Y374 VanDerWaalsContact O-CE2 3.29Å; G372-Y374 WeakPolarHBondContact O-CE2 3.5Å; Y374-F413 HydrophobicContact CD1-CE1 4.43Å; Y374-F413 AromaticContact CD1-CZ 3.85Å; Y374-F413 HydrophobicContact CD1-CZ 3.85Å; Y374-F413 AromaticContact CD2-CE1 3.74Å; Y374-F413 HydrophobicContact CD2-CE1 3.74Å; Y374-F413 AromaticContact CD2-CZ 3.88Å; Y374-F413 HydrophobicContact CD2-CZ 3.88Å; Y374-F413 HydrophobicContact CE1-CE1 4.4Å; Y374-F413 HydrophobicContact CE1-CZ 4.08Å; Y374-F413 AromaticContact CE2-CE1 3.74Å; Y374-F413 HydrophobicContact CE2-CE1 3.74Å; Y374-F413 HydrophobicContact CE2-CZ 4.13Å; Y374-F413 HydrophobicContact CG-CE1 4.13Å; Y374-F413 AromaticContact CG-CZ 3.76Å; Y374-F413 HydrophobicContact CG-CZ 3.76Å
375I98.4Very high95.2Very high8 Ų845.3 Ų45.34%0.04127%0.268CS..EExtended strand (participates in β ladder)trans-97.2130.3169.5-79.2164.5000108A127 V341 Y342 V343 F365 R366 E368 W422A127-I375 HydrophobicContact CB-CG2 4.05Å; V341-I375 HydrophobicContact CG1-CG2 3.5Å; Y342-I375 CarbonylContact O-C 3.56Å; Y342-I375 WeakPolarHBondContact O-CA 3.43Å; V343-I375 HydrophobicContact CG2-CG1 4.08Å; F365-I375 CarbonylContact C-O 3.53Å; F365-I375 WeakPolarHBondContact CA-O 3.43Å; R366-I375 HydrophobicContact CG-CB 4.3Å; R366-I375 PolarHBondContact N-O 3.29Å; R366-I375 PolarHBondContact O-N 3.39Å; E368-I375 HydrophobicContact CB-CD1 4.11Å; E368-I375 HydrophobicContact CB-CG1 4.19Å; E368-I375 HydrophobicContact CG-CD1 4.02Å; E368-I375 HydrophobicContact CG-CG1 4.46Å; E368-I375 WeakPolarHBondContact OE2-CD1 3.45Å; I375-W422 HydrophobicContact CD1-CH2 3.72Å; I375-W422 HydrophobicContact CG1-CH2 3.92Å; I375-W422 HydrophobicContact CG1-CZ3 4.48Å; I375-W422 HydrophobicContact CG2-CH2 4.31Å
376C98.7Very high95.1Very high0 Ų046.4 Ų46.40%028%0.275CS..EExtended strand (participates in β ladder)trans-148.3164-174.960.10000112.9Y342 Y364 F365 L406Y342-C376 PolarHBondContact N-O 3.38Å; Y342-C376 PolarHBondContact O-N 3.08Å; Y364-C376 WeakPolarHBondContact O-CA 3.37Å; Y364-C376 WeakPolarHBondContact O-CB 3.43Å; F365-C376 HydrophobicContact CB-CB 3.75Å; C376-L406 HydrophobicContact CB-CD1 3.86Å; C376-L406 HydrophobicContact CB-CD2 4.28Å
377G98.1Very high95Very high0 Ų050.5 Ų50.50%030%0.297CS..EExtended strand (participates in β ladder)trans179-177.1173.400000112.5V363 Y364V363-G377 WeakPolarHBondContact CA-O 3.36Å; Y364-G377 WeakPolarHBondContact CD1-O 3.14Å; Y364-G377 VanDerWaalsContact CE1-C 3.43Å; Y364-G377 WeakPolarHBondContact CE1-O 3.17Å; Y364-G377 PolarHBondContact N-O 3.3Å; Y364-G377 PolarHBondContact O-N 2.84Å
378V97.1Very high95Very high10 Ų1052.4 Ų52.46%0.06131%0.311CS..  trans-144.4144.2168.869.40000107.5F397 K401 V402V378-F397 HydrophobicContact CG1-CE1 3.44Å; V378-F397 VanDerWaalsContact CG1-CE1 3.44Å; V378-F397 HydrophobicContact CG1-CZ 3.62Å; V378-K401 HydrophobicContact CG1-CB 4.25Å; V378-V402 HydrophobicContact CB-CG2 4.43Å; V378-V402 HydrophobicContact CG1-CG2 3.72Å
379S95.1Very high95Very high44 Ų4453.3 Ų53.331%0.30833%0.326SS..PPolyproline II helixtrans-69132.9170.7-68.30000109.3
380P95.3Very high95.2Very high9 Ų953.5 Ų53.56%0.05832%0.316CS..PPolyproline II helixtrans-55.6148.9167.5-24.134.7000111.2P386 F397P380-P386 HydrophobicContact CG-CG 4.26Å; P380-F397 HydrophobicContact CB-CE2 4.32Å; P380-F397 HydrophobicContact CB-CZ 4.26Å; P380-F397 HydrophobicContact CG-CE2 4.3Å; P380-F397 HydrophobicContact CG-CZ 3.96Å
381E93.3Very high95.6Very high121 Ų12148.7 Ų48.757%0.56529%0.291SS*.PPolyproline II helixtrans-69.7156.5171.6-64.9-179.3-16700110.5A383 E384 E385E381-A383 PolarHBondContact O-N 2.98Å; E381-A383 VanDerWaalsContact O-N 3.12Å; E381-E384 HydrophobicContact CB-CG 4.49Å; E381-E384 CarbonylContact O-C 3.53Å; E381-E384 WeakPolarHBondContact O-CA 3.36Å; E381-E384 PolarHBondContact O-N 3.08Å; E381-E385 PolarHBondContact O-N 2.63Å
382E91.6Very high95.9Very high118 Ų11852.9 Ų52.955%0.55130%0.298SS*.G310 helixtrans-54.4-36.5-177.3-172.467.1-156.300112.8R337 E384 E385R337-E382 IonicContact CZ-OE1 2.67Å; R337-E382 IonicContact CZ-OE2 3.37Å; R337-E382 IonicContact NH1-OE1 2.74Å; R337-E382 PolarHBondContact NH1-OE1 2.87Å; R337-E382 VanDerWaalsContact NH1-OE1 3.12Å; R337-E382 IonicContact NH1-OE2 2.75Å; R337-E382 PolarHBondContact NH1-OE2 3.22Å; R337-E382 IonicContact NH2-OE1 2.79Å; R337-E382 PolarHBondContact NH2-OE1 3.1Å; R337-E382 IonicContact NH2-OE2 3.85Å; E382-E384 VanDerWaalsContact C-N 3.3Å; E382-E384 PolarHBondContact O-N 3.29Å; E382-E385 WeakPolarHBondContact O-CG 3.4Å
383A94.4Very high96Very high100 Ų10053.9 Ų53.983%0.82630%0.301SS*.G310 helixtrans-77.6-1417900000113.9E381E381-A383 PolarHBondContact O-N 2.98Å; E381-A383 VanDerWaalsContact O-N 3.12Å
384E94.1Very high96Very high87 Ų8754.9 Ų54.941%0.40731%0.307SS..G310 helixtrans-113.216.7-176.2-58.9-174.3137.600111.6E381 E382 P386 K401E381-E384 HydrophobicContact CB-CG 4.49Å; E381-E384 CarbonylContact O-C 3.53Å; E381-E384 WeakPolarHBondContact O-CA 3.36Å; E381-E384 PolarHBondContact O-N 3.08Å; E382-E384 VanDerWaalsContact C-N 3.3Å; E382-E384 PolarHBondContact O-N 3.29Å; E384-P386 WeakPolarHBondContact O-CD 3.15Å; E384-K401 IonicContact OE1-NZ 3.67Å; E384-K401 PolarHBondContact OE1-NZ 3.32Å; E384-K401 IonicContact OE2-NZ 3.67Å; E384-K401 PolarHBondContact OE2-NZ 2.94Å
385E95.9Very high96Very high47 Ų4760.2 Ų60.222%0.2233%0.332CS..PPolyproline II helixtrans-60.2123.3-177.5-76.4-76.9-168.600111.7R337 R339 E381 E382R337-E385 VanDerWaalsContact CD-CD 3.5Å; R337-E385 WeakPolarHBondContact CD-OE1 3.48Å; R337-E385 WeakPolarHBondContact CD-OE2 3.28Å; R337-E385 IonicContact CZ-OE1 3.23Å; R337-E385 IonicContact NE-OE1 3.53Å; R337-E385 IonicContact NH1-OE1 2.65Å; R337-E385 PolarHBondContact NH1-OE1 2.87Å; R339-E385 IonicContact CZ-OE1 2.83Å; R339-E385 IonicContact CZ-OE2 2.76Å; R339-E385 IonicContact NH1-OE1 3.48Å; R339-E385 PolarHBondContact NH1-OE1 3.45Å; R339-E385 IonicContact NH1-OE2 3.12Å; R339-E385 PolarHBondContact NH1-OE2 2.88Å; R339-E385 IonicContact NH2-OE1 3.12Å; R339-E385 PolarHBondContact NH2-OE1 3.2Å; R339-E385 IonicContact NH2-OE2 2.75Å; E381-E385 PolarHBondContact O-N 2.63Å; E382-E385 WeakPolarHBondContact O-CG 3.4Å
386P96.4Very high96Very high24 Ų2465 Ų6516%0.15635%0.354CS..PPolyproline II helixtrans-79.3159.6-171.929.7-34.2000112.7K338 Y340 P380 E384K338-P386 HydrophobicContact CB-CG 4.01Å; K338-P386 HydrophobicContact CG-CG 4.41Å; Y340-P386 HydrophobicContact CE2-CB 4.4Å; Y340-P386 HydrophobicContact CE2-CG 4.14Å; Y340-P386 WeakPolarHBondContact OH-CB 3.25Å; P380-P386 HydrophobicContact CG-CG 4.26Å; E384-P386 WeakPolarHBondContact O-CD 3.15Å
387D95.7Very high95.9Very high97 Ų9766 Ų6652%0.51936%0.358SS..PPolyproline II helixtrans-57.3139.6176.7177.368.4000112.4K338 S389K338-D387 WeakPolarHBondContact CE-O 3.48Å; K338-D387 PolarHBondContact NZ-O 3.15Å; D387-S389 WeakPolarHBondContact OD2-CB 3.23Å; D387-S389 PolarHBondContact OD2-N 3.03Å; D387-S389 PolarHBondContact OD2-OG 3Å
388T96.3Very high96Very high56 Ų5666 Ų6634%0.34436%0.359SS..  trans-108.510.2-17457.40000113.3P336 K338 N390 F425P336-T388 HydrophobicContact CB-CG2 4.21Å; P336-T388 HydrophobicContact CG-CG2 4.27Å; P336-T388 WeakPolarHBondContact O-CG2 3.11Å; K338-T388 HydrophobicContact CB-CG2 4.36Å; T388-N390 PolarHBondContact O-N 2.91Å; T388-F425 HydrophobicContact CG2-CE1 4.1Å; T388-F425 WeakPolarHBondContact O-CZ 3.42Å
389S94.9Very high96Very high98 Ų9869.4 Ų69.469%0.68537%0.374SS*.SBendtrans-71.6-21177.974.90000113D387D387-S389 WeakPolarHBondContact OD2-CB 3.23Å; D387-S389 PolarHBondContact OD2-N 3.03Å; D387-S389 PolarHBondContact OD2-OG 3Å
390N94.5Very high96.1Very high50 Ų5071.9 Ų71.927%0.26738%0.384SS..SBendtrans-142.6178.9178.571.735.9000111.9T388 E392T388-N390 PolarHBondContact O-N 2.91Å; N390-E392 HydrophobicContact CB-CG 4.39Å; N390-E392 VanDerWaalsContact ND2-CD 3.26Å; N390-E392 PolarHBondContact ND2-OE2 3.02Å; N390-E392 WeakPolarHBondContact OD1-CB 3.26Å; N390-E392 PolarHBondContact OD1-N 3.11Å
391L95.9Very high96.2Very high42 Ų4274.3 Ų74.322%0.2239%0.393CS..  trans-113.132.5174-69.7176.7000111.9Q120 L125 A423 F425Q120-L391 HydrophobicContact CB-CD1 4.1Å; Q120-L391 HydrophobicContact CG-CD1 4.08Å; L125-L391 HydrophobicContact CD1-CD1 4.08Å; L391-A423 HydrophobicContact CB-CB 4.39Å; L391-A423 HydrophobicContact CD2-CB 4.35Å; L391-A423 WeakPolarHBondContact O-CB 3.34Å; L391-F425 HydrophobicContact CD1-CE2 4.5Å; L391-F425 HydrophobicContact CD2-CD1 4.08Å; L391-F425 HydrophobicContact CD2-CD2 3.98Å; L391-F425 HydrophobicContact CD2-CE1 3.71Å; L391-F425 HydrophobicContact CD2-CE2 3.61Å; L391-F425 HydrophobicContact CD2-CG 4.2Å; L391-F425 HydrophobicContact CD2-CZ 3.47Å; L391-F425 VanDerWaalsContact CD2-CZ 3.47Å; L391-F425 HydrophobicContact CG-CE2 4.07Å; L391-F425 HydrophobicContact CG-CZ 4.07Å
392E96.8Very high96.5Very high134 Ų13468.5 Ų68.563%0.62637%0.366SS*.  trans-71.1141.2173.2-65.8176.7164.200110.4K338 Y340 N390K338-E392 PolarHBondContact NZ-O 3.12Å; Y340-E392 WeakPolarHBondContact CE1-O 3.21Å; N390-E392 HydrophobicContact CB-CG 4.39Å; N390-E392 VanDerWaalsContact ND2-CD 3.26Å; N390-E392 PolarHBondContact ND2-OE2 3.02Å; N390-E392 WeakPolarHBondContact OD1-CB 3.26Å; N390-E392 PolarHBondContact OD1-N 3.11Å
393V97.8Very high96.8Very high33 Ų3366.4 Ų66.420%0.235%0.353CS..  trans-89.5136179.81790000110Y340 Y342 H395 A421 W422 A423Y340-V393 HydrophobicContact CD1-CG1 4.28Å; Y342-V393 HydrophobicContact CE1-CG1 3.61Å; V393-H395 PolarHBondContact O-N 3.11Å; V393-A421 HydrophobicContact CB-CB 4.46Å; V393-A421 HydrophobicContact CG1-CB 3.81Å; V393-A421 HydrophobicContact CG2-CB 4.2Å; V393-W422 VanDerWaalsContact CG2-CA 3.46Å; V393-A423 HydrophobicContact CG2-CB 4.17Å
394D97.8Very high97Very high70 Ų7065 Ų6537%0.37434%0.336SS..  trans-89.698.4170-175.6-15.2000110.7Y340 Y342 Q396 F397Y340-D394 HydrophobicContact CD2-CB 4.48Å; Y340-D394 HydrophobicContact CE1-CB 4.2Å; Y340-D394 HydrophobicContact CE2-CB 3.79Å; Y342-D394 PolarHBondContact OH-O 3.49Å; D394-Q396 VanDerWaalsContact C-N 3.27Å; D394-Q396 PolarHBondContact O-N 2.73Å; D394-Q396 WeakPolarHBondContact OD1-CB 3.4Å; D394-Q396 PolarHBondContact OD1-N 3Å; D394-F397 HydrophobicContact CB-CB 3.98Å; D394-F397 WeakPolarHBondContact O-CB 3.14Å; D394-F397 PolarHBondContact O-N 2.89Å; D394-F397 PolarHBondContact OD1-N 3.02Å; D394-F397 VanDerWaalsContact OD1-N 3.11Å
395H97.8Very high97.2Very high116 Ų11663.7 Ų63.754%0.53733%0.329SS..Hα-helixtrans-67.8-23.8179.5-67.2-76000114V393 F397 F398V393-H395 PolarHBondContact O-N 3.11Å; H395-F397 VanDerWaalsContact C-N 3.34Å; H395-F398 WeakPolarHBondContact O-CB 3.16Å; H395-F398 PolarHBondContact O-N 3.33Å
396Q97.9Very high97.4Very high109 Ų10961.5 Ų61.551%0.50932%0.318SS..Hα-helixtrans-73-33.2177.7-171.26247.600110.8D394 F398 E399 D400D394-Q396 VanDerWaalsContact C-N 3.27Å; D394-Q396 PolarHBondContact O-N 2.73Å; D394-Q396 WeakPolarHBondContact OD1-CB 3.4Å; D394-Q396 PolarHBondContact OD1-N 3Å; Q396-F398 PolarHBondContact O-N 3.2Å; Q396-E399 PolarHBondContact O-N 2.95Å; Q396-E399 VanDerWaalsContact O-N 3.11Å; Q396-D400 WeakPolarHBondContact CG-OD2 3.47Å; Q396-D400 PolarHBondContact NE2-OD1 3.06Å; Q396-D400 PolarHBondContact NE2-OD2 3.09Å; Q396-D400 PolarHBondContact O-N 3.29Å
397F98.1Very high97.5Very high20 Ų2060.9 Ų60.99%0.08832%0.315CS..Hα-helixtrans-57.1-33.6173.1-174-94.2000112.5Y340 V378 P380 D394 H395 K401 V402Y340-F397 HydrophobicContact CD2-CB 4.34Å; Y340-F397 AromaticContact CD2-CD1 3.7Å; Y340-F397 HydrophobicContact CD2-CD1 3.7Å; Y340-F397 HydrophobicContact CD2-CE1 4.11Å; Y340-F397 HydrophobicContact CD2-CG 4.02Å; Y340-F397 HydrophobicContact CE2-CB 4.36Å; Y340-F397 HydrophobicContact CE2-CD1 4.32Å; Y340-F397 HydrophobicContact CE2-CG 4.2Å; V378-F397 HydrophobicContact CG1-CE1 3.44Å; V378-F397 VanDerWaalsContact CG1-CE1 3.44Å; V378-F397 HydrophobicContact CG1-CZ 3.62Å; P380-F397 HydrophobicContact CB-CE2 4.32Å; P380-F397 HydrophobicContact CB-CZ 4.26Å; P380-F397 HydrophobicContact CG-CE2 4.3Å; P380-F397 HydrophobicContact CG-CZ 3.96Å; D394-F397 HydrophobicContact CB-CB 3.98Å; D394-F397 WeakPolarHBondContact O-CB 3.14Å; D394-F397 PolarHBondContact O-N 2.89Å; D394-F397 PolarHBondContact OD1-N 3.02Å; D394-F397 VanDerWaalsContact OD1-N 3.11Å; H395-F397 VanDerWaalsContact C-N 3.34Å; F397-K401 HydrophobicContact CD1-CB 4.43Å; F397-K401 HydrophobicContact CD2-CB 4.2Å; F397-K401 HydrophobicContact CD2-CG 3.83Å; F397-K401 HydrophobicContact CE1-CB 4.26Å; F397-K401 HydrophobicContact CE2-CB 3.99Å; F397-K401 HydrophobicContact CE2-CG 3.76Å; F397-K401 HydrophobicContact CG-CB 4.42Å; F397-K401 HydrophobicContact CG-CG 4.43Å; F397-K401 HydrophobicContact CZ-CB 4.03Å; F397-K401 HydrophobicContact CZ-CG 4.31Å; F397-K401 WeakPolarHBondContact O-CB 3.29Å; F397-K401 PolarHBondContact O-N 2.89Å; F397-V402 HydrophobicContact CD1-CG2 4.17Å; F397-V402 HydrophobicContact CE1-CG2 4.17Å; F397-V402 PolarHBondContact O-N 3.26Å
398F98.5Very high97.6Very high2 Ų259.9 Ų59.91%0.00931%0.31CS..Iπ-helixtrans-61.3-52.9173.4179.8-98.3000111.8Y342 V344 H395 Q396 D400 V402 W403 L406 L416 V418Y342-F398 HydrophobicContact CD1-CB 3.99Å; Y342-F398 AromaticContact CD1-CD2 3.83Å; Y342-F398 HydrophobicContact CD1-CD2 3.83Å; Y342-F398 HydrophobicContact CD1-CG 4.12Å; Y342-F398 HydrophobicContact CD2-CB 4.45Å; Y342-F398 AromaticContact CD2-CD2 3.63Å; Y342-F398 HydrophobicContact CD2-CD2 3.63Å; Y342-F398 HydrophobicContact CD2-CE2 4.43Å; Y342-F398 HydrophobicContact CD2-CG 4.49Å; Y342-F398 HydrophobicContact CE1-CB 3.66Å; Y342-F398 HydrophobicContact CE1-CD2 4.3Å; Y342-F398 HydrophobicContact CE1-CG 4.3Å; Y342-F398 HydrophobicContact CE2-CB 4.13Å; Y342-F398 HydrophobicContact CE2-CD2 4.1Å; Y342-F398 HydrophobicContact CG-CB 4.38Å; Y342-F398 AromaticContact CG-CD2 3.48Å; Y342-F398 HydrophobicContact CG-CD2 3.48Å; Y342-F398 VanDerWaalsContact CG-CD2 3.48Å; Y342-F398 HydrophobicContact CG-CE2 4.15Å; Y342-F398 HydrophobicContact CG-CG 4.23Å; V344-F398 HydrophobicContact CG1-CE2 3.84Å; V344-F398 HydrophobicContact CG1-CZ 3.68Å; H395-F398 WeakPolarHBondContact O-CB 3.16Å; H395-F398 PolarHBondContact O-N 3.33Å; Q396-F398 PolarHBondContact O-N 3.2Å; F398-D400 VanDerWaalsContact C-N 3.32Å; F398-D400 PolarHBondContact O-N 3.44Å; F398-V402 HydrophobicContact CD2-CB 3.7Å; F398-V402 HydrophobicContact CD2-CG1 3.73Å; F398-V402 HydrophobicContact CD2-CG2 4.27Å; F398-V402 HydrophobicContact CE2-CB 4.1Å; F398-V402 HydrophobicContact CE2-CG1 3.7Å; F398-V402 HydrophobicContact CG-CB 4.37Å; F398-V402 WeakPolarHBondContact O-CA 3.28Å; F398-V402 WeakPolarHBondContact O-CB 3.46Å; F398-V402 PolarHBondContact O-N 3.07Å; F398-W403 HydrophobicContact CD1-CB 4.19Å; F398-W403 HydrophobicContact CE1-CB 3.71Å; F398-W403 HydrophobicContact CE1-CG 4.18Å; F398-W403 HydrophobicContact CZ-CB 3.96Å; F398-W403 HydrophobicContact CZ-CG 4.48Å; F398-W403 PolarHBondContact O-N 3.24Å; F398-L406 HydrophobicContact CE2-CD1 4.42Å; F398-L416 HydrophobicContact CE1-CD1 3.85Å; F398-L416 HydrophobicContact CZ-CD1 3.58Å; F398-L416 HydrophobicContact CZ-CD2 4.3Å; F398-V418 HydrophobicContact CD1-CG2 3.51Å; F398-V418 HydrophobicContact CD2-CG2 4.32Å; F398-V418 HydrophobicContact CE1-CG2 3.25Å; F398-V418 HydrophobicContact CE2-CG2 4.11Å; F398-V418 HydrophobicContact CG-CG2 4.05Å; F398-V418 HydrophobicContact CZ-CG2 3.59Å
399E98.1Very high97.7Very high81 Ų8157.3 Ų57.338%0.37929%0.294SS..Iπ-helixtrans-61.5-40.9-177.6-60.3-62.3159.400111.7Q396 P404Q396-E399 PolarHBondContact O-N 2.95Å; Q396-E399 VanDerWaalsContact O-N 3.11Å; E399-P404 VanDerWaalsContact O-CD 3.24Å; E399-P404 WeakPolarHBondContact O-CD 3.13Å; E399-P404 WeakPolarHBondContact O-CG 3.44Å
400D97.4Very high97.9Very high96 Ų9652.7 Ų52.751%0.51326%0.261SS..Iπ-helixtrans-85.6-36.1-172.5-65.3-11000113Q396 F398Q396-D400 WeakPolarHBondContact CG-OD2 3.47Å; Q396-D400 PolarHBondContact NE2-OD1 3.06Å; Q396-D400 PolarHBondContact NE2-OD2 3.09Å; Q396-D400 PolarHBondContact O-N 3.29Å; F398-D400 VanDerWaalsContact C-N 3.32Å; F398-D400 PolarHBondContact O-N 3.44Å
401K97.8Very high98Very high59 Ų5953.9 Ų53.926%0.25727%0.272SS..Iπ-helixtrans-120.2-24.1-165.9-55.2-71.5-176.1133.20114.3V378 E384 F397 K405V378-K401 HydrophobicContact CG1-CB 4.25Å; E384-K401 IonicContact OE1-NZ 3.67Å; E384-K401 PolarHBondContact OE1-NZ 3.32Å; E384-K401 IonicContact OE2-NZ 3.67Å; E384-K401 PolarHBondContact OE2-NZ 2.94Å; F397-K401 HydrophobicContact CD1-CB 4.43Å; F397-K401 HydrophobicContact CD2-CB 4.2Å; F397-K401 HydrophobicContact CD2-CG 3.83Å; F397-K401 HydrophobicContact CE1-CB 4.26Å; F397-K401 HydrophobicContact CE2-CB 3.99Å; F397-K401 HydrophobicContact CE2-CG 3.76Å; F397-K401 HydrophobicContact CG-CB 4.42Å; F397-K401 HydrophobicContact CG-CG 4.43Å; F397-K401 HydrophobicContact CZ-CB 4.03Å; F397-K401 HydrophobicContact CZ-CG 4.31Å; F397-K401 WeakPolarHBondContact O-CB 3.29Å; F397-K401 PolarHBondContact O-N 2.89Å; K401-K405 VanDerWaalsContact O-CD 3.26Å; K401-K405 WeakPolarHBondContact O-CD 3.38Å; K401-K405 WeakPolarHBondContact O-CE 3.26Å
402V98.6Very high98.1Very high0 Ų053.6 Ų53.60%028%0.275CS..Iπ-helixtrans-101.9-57.2-176.2-177.80000111.4Y342 V363 V378 F397 F398 K405 L406Y342-V402 HydrophobicContact CD2-CG2 4.35Å; Y342-V402 HydrophobicContact CE2-CG2 4.06Å; V363-V402 HydrophobicContact CG2-CG1 4.18Å; V378-V402 HydrophobicContact CB-CG2 4.43Å; V378-V402 HydrophobicContact CG1-CG2 3.72Å; F397-V402 HydrophobicContact CD1-CG2 4.17Å; F397-V402 HydrophobicContact CE1-CG2 4.17Å; F397-V402 PolarHBondContact O-N 3.26Å; F398-V402 HydrophobicContact CD2-CB 3.7Å; F398-V402 HydrophobicContact CD2-CG1 3.73Å; F398-V402 HydrophobicContact CD2-CG2 4.27Å; F398-V402 HydrophobicContact CE2-CB 4.1Å; F398-V402 HydrophobicContact CE2-CG1 3.7Å; F398-V402 HydrophobicContact CG-CB 4.37Å; F398-V402 WeakPolarHBondContact O-CA 3.28Å; F398-V402 WeakPolarHBondContact O-CB 3.46Å; F398-V402 PolarHBondContact O-N 3.07Å; V402-K405 PolarHBondContact O-N 3.28Å; V402-L406 HydrophobicContact CG1-CD1 3.75Å; V402-L406 HydrophobicContact CG1-CG 4.15Å; V402-L406 PolarHBondContact O-N 3.4Å
403W98.7Very high98.2Very high74 Ų7447.2 Ų47.228%0.2825%0.246SC..Hα-helixtrans-59.6-45.2-17117936.8000113.7F398 K405 L406 A407 F413 E414F398-W403 HydrophobicContact CD1-CB 4.19Å; F398-W403 HydrophobicContact CE1-CB 3.71Å; F398-W403 HydrophobicContact CE1-CG 4.18Å; F398-W403 HydrophobicContact CZ-CB 3.96Å; F398-W403 HydrophobicContact CZ-CG 4.48Å; F398-W403 PolarHBondContact O-N 3.24Å; W403-K405 VanDerWaalsContact C-N 3.27Å; W403-K405 PolarHBondContact O-N 2.99Å; W403-L406 PolarHBondContact O-N 3.02Å; W403-L406 VanDerWaalsContact O-N 3.16Å; W403-A407 WeakPolarHBondContact O-CB 3.17Å; W403-A407 PolarHBondContact O-N 3.31Å; W403-F413 PolarHBondContact NE1-O 3.26Å; W403-F413 VanDerWaalsContact NE1-O 3.1Å; W403-E414 WeakPolarHBondContact CZ2-O 3.46Å
404P98.6Very high98.2Very high71 Ų7151.2 Ų51.246%0.46126%0.262SS..Hα-helixtrans-60-37.5179.5-2535.5000112.7E399 N408E399-P404 VanDerWaalsContact O-CD 3.24Å; E399-P404 WeakPolarHBondContact O-CD 3.13Å; E399-P404 WeakPolarHBondContact O-CG 3.44Å; P404-N408 VanDerWaalsContact O-CB 3.27Å; P404-N408 WeakPolarHBondContact O-CB 3.48Å; P404-N408 PolarHBondContact O-N 2.78Å
405K98.4Very high98.2Very high59 Ų5955.7 Ų55.726%0.25728%0.278SS..Hα-helixtrans-70.8-41.5178.4-59.8179179.5-177.30111.3S361 V363 K401 V402 W403 R409S361-K405 PolarHBondContact O-NZ 3.32Å; V363-K405 HydrophobicContact CB-CB 3.78Å; V363-K405 HydrophobicContact CB-CD 4.13Å; V363-K405 HydrophobicContact CG1-CB 3.62Å; V363-K405 HydrophobicContact CG2-CB 4.21Å; K401-K405 VanDerWaalsContact O-CD 3.26Å; K401-K405 WeakPolarHBondContact O-CD 3.38Å; K401-K405 WeakPolarHBondContact O-CE 3.26Å; V402-K405 PolarHBondContact O-N 3.28Å; W403-K405 VanDerWaalsContact C-N 3.27Å; W403-K405 PolarHBondContact O-N 2.99Å; K405-R409 PolarHBondContact O-N 3.12Å
406L98.5Very high98.2Very high1 Ų151 Ų511%0.00526%0.257CS..Hα-helixtrans-62.2-50.3175-75.5179.7000112V363 F365 C376 F398 V402 W403 N408 R409 V410 F413 L416V363-L406 HydrophobicContact CG1-CD2 4.5Å; V363-L406 HydrophobicContact CG2-CD2 3.61Å; V363-L406 HydrophobicContact CG2-CG 3.73Å; F365-L406 HydrophobicContact CB-CD2 4.11Å; F365-L406 HydrophobicContact CD1-CD2 4Å; F365-L406 HydrophobicContact CG-CD2 4.39Å; C376-L406 HydrophobicContact CB-CD1 3.86Å; C376-L406 HydrophobicContact CB-CD2 4.28Å; F398-L406 HydrophobicContact CE2-CD1 4.42Å; V402-L406 HydrophobicContact CG1-CD1 3.75Å; V402-L406 HydrophobicContact CG1-CG 4.15Å; V402-L406 PolarHBondContact O-N 3.4Å; W403-L406 PolarHBondContact O-N 3.02Å; W403-L406 VanDerWaalsContact O-N 3.16Å; L406-N408 VanDerWaalsContact C-N 3.3Å; L406-N408 PolarHBondContact O-N 3.26Å; L406-R409 PolarHBondContact O-N 2.74Å; L406-V410 PolarHBondContact O-N 2.78Å; L406-F413 HydrophobicContact CB-CB 4.43Å; L406-F413 HydrophobicContact CB-CD2 4.03Å; L406-F413 HydrophobicContact CD2-CD2 4.28Å; L406-F413 HydrophobicContact CD2-CE2 4.42Å; L406-L416 HydrophobicContact CD1-CD2 4.1Å
407A98.4Very high98.2Very high10 Ų1053.1 Ų53.18%0.08327%0.265CS..Hα-helixtrans-62.8-38.3-179.600000111.7W403 V410 P411 E414W403-A407 WeakPolarHBondContact O-CB 3.17Å; W403-A407 PolarHBondContact O-N 3.31Å; A407-V410 CarbonylContact O-C 3.46Å; A407-V410 VanDerWaalsContact O-C 3.3Å; A407-P411 WeakPolarHBondContact O-CA 3.26Å; A407-E414 WeakPolarHBondContact CB-OE2 3.41Å
408N98.4Very high98.2Very high77 Ų7754.7 Ų54.741%0.41228%0.276SS..Hα-helixtrans-61.7-47.1173.4179.656.2000112.4N216 P404 L406N216-N408 WeakPolarHBondContact CB-O 3.4Å; N216-N408 PolarHBondContact ND2-O 2.86Å; P404-N408 VanDerWaalsContact O-CB 3.27Å; P404-N408 WeakPolarHBondContact O-CB 3.48Å; P404-N408 PolarHBondContact O-N 2.78Å; L406-N408 VanDerWaalsContact C-N 3.3Å; L406-N408 PolarHBondContact O-N 3.26Å
409R98.4Very high98.1Very high1 Ų158.6 Ų58.60%0.00430%0.3CS..Hα-helixtrans-76-32.5-176.8-174.855.467.7-153.10.2112.9L177 I215 N216 E218 V220 L357 D359 Y360 K405 L406L177-R409 VanDerWaalsContact CD1-CD 3.45Å; L177-R409 HydrophobicContact CD1-CG 4.25Å; I215-R409 HydrophobicContact CG1-CG 4.23Å; N216-R409 PolarHBondContact N-O 2.68Å; N216-R409 WeakPolarHBondContact O-CD 3.47Å; N216-R409 PolarHBondContact O-NH1 3.47Å; E218-R409 PolarHBondContact O-NH1 3.35Å; E218-R409 VanDerWaalsContact O-NH1 3.16Å; V220-R409 VanDerWaalsContact CG2-CZ 3.49Å; L357-R409 HydrophobicContact CD1-CG 4.28Å; L357-R409 HydrophobicContact CD2-CG 4.14Å; D359-R409 IonicContact OD1-CZ 2.67Å; D359-R409 IonicContact OD1-NE 3.51Å; D359-R409 PolarHBondContact OD1-NE 3.22Å; D359-R409 IonicContact OD1-NH2 3.73Å; D359-R409 PolarHBondContact OD1-NH2 2.72Å; D359-R409 IonicContact OD2-NH2 3.11Å; Y360-R409 VanDerWaalsContact CZ-NH2 3.31Å; Y360-R409 PolarHBondContact OH-NH2 3.31Å; K405-R409 PolarHBondContact O-N 3.12Å; L406-R409 PolarHBondContact O-N 2.74Å
410V98.4Very high98.1Very high1 Ų157.8 Ų57.81%0.00630%0.303CS..SBendtrans-13195.4-179.9-176.10000108.3W214 P350 F365 L406 A407 A412 F413W214-V410 HydrophobicContact CE3-CG1 4.18Å; W214-V410 HydrophobicContact CE3-CG2 3.91Å; W214-V410 HydrophobicContact CZ3-CG2 3.72Å; P350-V410 HydrophobicContact CG-CG1 3.74Å; F365-V410 HydrophobicContact CE1-CG2 3.61Å; F365-V410 HydrophobicContact CZ-CG2 3.75Å; L406-V410 PolarHBondContact O-N 2.78Å; A407-V410 CarbonylContact O-C 3.46Å; A407-V410 VanDerWaalsContact O-C 3.3Å; V410-A412 HydrophobicContact CG1-CB 4.4Å; V410-A412 PolarHBondContact O-N 2.93Å; V410-F413 HydrophobicContact CB-CB 4.35Å; V410-F413 HydrophobicContact CB-CD2 3.52Å; V410-F413 HydrophobicContact CB-CE2 3.91Å; V410-F413 HydrophobicContact CB-CG 3.93Å; V410-F413 HydrophobicContact CG1-CD1 4.16Å; V410-F413 HydrophobicContact CG1-CD2 3.87Å; V410-F413 HydrophobicContact CG1-CE1 4.33Å; V410-F413 HydrophobicContact CG1-CE2 4.03Å; V410-F413 HydrophobicContact CG1-CG 3.94Å; V410-F413 HydrophobicContact CG1-CZ 4.27Å; V410-F413 HydrophobicContact CG2-CD2 3.99Å; V410-F413 HydrophobicContact CG2-CE2 3.96Å; V410-F413 VanDerWaalsContact O-CB 3.25Å; V410-F413 WeakPolarHBondContact O-CB 3.35Å; V410-F413 PolarHBondContact O-N 3.31Å
411P98.3Very high98.2Very high75 Ų7554.5 Ų54.549%0.48729%0.289SS..G310 helixtrans-56.1-27-173.8-30.437.2000115.3W214 N216 A407 F413 E414W214-P411 WeakPolarHBondContact O-CD 3.28Å; N216-P411 HydrophobicContact CB-CG 4.24Å; A407-P411 WeakPolarHBondContact O-CA 3.26Å; P411-F413 PolarHBondContact O-N 2.96Å; P411-E414 WeakPolarHBondContact O-CB 3.27Å; P411-E414 PolarHBondContact O-N 3.35Å
412A97.7Very high98.2Very high36 Ų3654.4 Ų54.430%0.29829%0.287SS..G310 helixtrans-62.4-28.417400000113.1C346 D348 V410 E414 K415C346-A412 PolarHBondContact SG-O 3.44Å; C346-A412 VanDerWaalsContact SG-O 3.33Å; D348-A412 WeakPolarHBondContact O-CB 3.47Å; V410-A412 HydrophobicContact CG1-CB 4.4Å; V410-A412 PolarHBondContact O-N 2.93Å; A412-E414 PolarHBondContact O-N 3.11Å; A412-K415 PolarHBondContact O-N 3.48Å
413F98.5Very high98.2Very high0 Ų054.6 Ų54.60%029%0.289CS..G310 helixtrans-70.8-3.1177.1-71.1-12.1000113.8C346 P350 F365 Y374 W403 L406 V410 P411 K415 L416C346-F413 HydrophobicContact CB-CD1 3.81Å; C346-F413 HydrophobicContact CB-CE1 3.91Å; P350-F413 HydrophobicContact CG-CZ 4.16Å; F365-F413 HydrophobicContact CD1-CE2 4.05Å; F365-F413 AromaticContact CD2-CE2 3.95Å; F365-F413 HydrophobicContact CD2-CE2 3.95Å; F365-F413 HydrophobicContact CD2-CZ 4.04Å; F365-F413 HydrophobicContact CE1-CE2 4.1Å; F365-F413 HydrophobicContact CE2-CE2 4.03Å; F365-F413 HydrophobicContact CE2-CZ 4.03Å; F365-F413 AromaticContact CG-CE2 3.97Å; F365-F413 HydrophobicContact CG-CE2 3.97Å; F365-F413 HydrophobicContact CG-CZ 4.49Å; F365-F413 HydrophobicContact CZ-CE2 4.1Å; F365-F413 HydrophobicContact CZ-CZ 4.46Å; Y374-F413 HydrophobicContact CD1-CE1 4.43Å; Y374-F413 AromaticContact CD1-CZ 3.85Å; Y374-F413 HydrophobicContact CD1-CZ 3.85Å; Y374-F413 AromaticContact CD2-CE1 3.74Å; Y374-F413 HydrophobicContact CD2-CE1 3.74Å; Y374-F413 AromaticContact CD2-CZ 3.88Å; Y374-F413 HydrophobicContact CD2-CZ 3.88Å; Y374-F413 HydrophobicContact CE1-CE1 4.4Å; Y374-F413 HydrophobicContact CE1-CZ 4.08Å; Y374-F413 AromaticContact CE2-CE1 3.74Å; Y374-F413 HydrophobicContact CE2-CE1 3.74Å; Y374-F413 HydrophobicContact CE2-CZ 4.13Å; Y374-F413 HydrophobicContact CG-CE1 4.13Å; Y374-F413 AromaticContact CG-CZ 3.76Å; Y374-F413 HydrophobicContact CG-CZ 3.76Å; W403-F413 PolarHBondContact NE1-O 3.26Å; W403-F413 VanDerWaalsContact NE1-O 3.1Å; L406-F413 HydrophobicContact CB-CB 4.43Å; L406-F413 HydrophobicContact CB-CD2 4.03Å; L406-F413 HydrophobicContact CD2-CD2 4.28Å; L406-F413 HydrophobicContact CD2-CE2 4.42Å; V410-F413 HydrophobicContact CB-CB 4.35Å; V410-F413 HydrophobicContact CB-CD2 3.52Å; V410-F413 HydrophobicContact CB-CE2 3.91Å; V410-F413 HydrophobicContact CB-CG 3.93Å; V410-F413 HydrophobicContact CG1-CD1 4.16Å; V410-F413 HydrophobicContact CG1-CD2 3.87Å; V410-F413 HydrophobicContact CG1-CE1 4.33Å; V410-F413 HydrophobicContact CG1-CE2 4.03Å; V410-F413 HydrophobicContact CG1-CG 3.94Å; V410-F413 HydrophobicContact CG1-CZ 4.27Å; V410-F413 HydrophobicContact CG2-CD2 3.99Å; V410-F413 HydrophobicContact CG2-CE2 3.96Å; V410-F413 VanDerWaalsContact O-CB 3.25Å; V410-F413 WeakPolarHBondContact O-CB 3.35Å; V410-F413 PolarHBondContact O-N 3.31Å; P411-F413 PolarHBondContact O-N 2.96Å; F413-K415 PolarHBondContact O-N 2.96Å; F413-K415 VanDerWaalsContact O-N 3.14Å; F413-L416 HydrophobicContact CB-CD2 3.78Å; F413-L416 HydrophobicContact CB-CG 4.47Å; F413-L416 HydrophobicContact CG-CD2 4.1Å; F413-L416 WeakPolarHBondContact O-CG 3.38Å; F413-L416 PolarHBondContact O-N 3.31Å
414E97.9Very high98.1Very high118 Ų11851.4 Ų51.455%0.55128%0.279SS*.G310 helixtrans-56.8-26.3165.8-17163.3-16300112.3W403 A407 P411 A412W403-E414 WeakPolarHBondContact CZ2-O 3.46Å; A407-E414 WeakPolarHBondContact CB-OE2 3.41Å; P411-E414 WeakPolarHBondContact O-CB 3.27Å; P411-E414 PolarHBondContact O-N 3.35Å; A412-E414 PolarHBondContact O-N 3.11Å
415K96.8Very high98.1Very high164 Ų16448.5 Ų48.571%0.71326%0.259SS*.G310 helixtrans-109.511.9-177-59.3176.8-174.4170.30113.9A412 F413A412-K415 PolarHBondContact O-N 3.48Å; F413-K415 PolarHBondContact O-N 2.96Å; F413-K415 VanDerWaalsContact O-N 3.14Å
416L97.8Very high98Very high18 Ų1849 Ų499%0.09426%0.26CS..  trans-61.8161.8-178.766.470.5000111.6V344 H345 C346 F398 L406 F413V344-L416 HydrophobicContact CB-CB 4.25Å; V344-L416 HydrophobicContact CB-CD1 4.24Å; V344-L416 HydrophobicContact CB-CD2 4.17Å; V344-L416 HydrophobicContact CB-CG 4.45Å; V344-L416 HydrophobicContact CG1-CD1 3.98Å; V344-L416 HydrophobicContact CG1-CD2 4.17Å; V344-L416 HydrophobicContact CG2-CD2 4.08Å; H345-L416 WeakPolarHBondContact O-CA 3.49Å; C346-L416 HydrophobicContact CB-CB 4.19Å; F398-L416 HydrophobicContact CE1-CD1 3.85Å; F398-L416 HydrophobicContact CZ-CD1 3.58Å; F398-L416 HydrophobicContact CZ-CD2 4.3Å; L406-L416 HydrophobicContact CD1-CD2 4.1Å; F413-L416 HydrophobicContact CB-CD2 3.78Å; F413-L416 HydrophobicContact CB-CG 4.47Å; F413-L416 HydrophobicContact CG-CD2 4.1Å; F413-L416 WeakPolarHBondContact O-CG 3.38Å; F413-L416 PolarHBondContact O-N 3.31Å
417K98.1Very high97.9Very high153 Ų15349.9 Ų49.967%0.66527%0.265SS*.EExtended strand (participates in β ladder)trans-132.3130.1171-63.5-176.2-179.8-1800109.8V344 H345 T419V344-K417 CarbonylContact C-O 3.59Å; V344-K417 VanDerWaalsContact CA-O 3.26Å; V344-K417 WeakPolarHBondContact CA-O 3.36Å; H345-K417 PolarHBondContact N-O 2.87Å; H345-K417 PolarHBondContact O-N 2.52Å; K417-T419 PolarHBondContact O-N 2.83Å
418V98.4Very high97.9Very high53 Ų5350.8 Ų50.832%0.32127%0.266SS..EExtended strand (participates in β ladder)trans-66.9124171.1-176.20000108.8Y342 V343 V344 F398Y342-V418 HydrophobicContact CD1-CG1 4.47Å; V343-V418 WeakPolarHBondContact O-CA 3.49Å; V344-V418 HydrophobicContact CG1-CG2 4.16Å; F398-V418 HydrophobicContact CD1-CG2 3.51Å; F398-V418 HydrophobicContact CD2-CG2 4.32Å; F398-V418 HydrophobicContact CE1-CG2 3.25Å; F398-V418 HydrophobicContact CE2-CG2 4.11Å; F398-V418 HydrophobicContact CG-CG2 4.05Å; F398-V418 HydrophobicContact CZ-CG2 3.59Å
419T97.7Very high97.8Very high83 Ų8347.1 Ų47.151%0.50925%0.247SC..EExtended strand (participates in β ladder)trans-107.7-25.9178.751.40000112.9V343 H345 K417V343-T419 PolarHBondContact O-N 3.24Å; V343-T419 PolarHBondContact O-OG1 2.93Å; H345-T419 HydrophobicContact CB-CG2 3.56Å; K417-T419 PolarHBondContact O-N 2.83Å
420S97.9Very high97.7Very high65 Ų6550.3 Ų50.346%0.45527%0.266SS..EExtended strand (participates in β ladder)trans-159.4163.1177.6-171.90000109.7V343V343-S420 PolarHBondContact N-O 3.48Å; V343-S420 PolarHBondContact O-N 2.95Å
421A98.3Very high97.6Very high26 Ų2652.4 Ų52.422%0.21528%0.275CS..EExtended strand (participates in β ladder)trans-156.4156171.500000110V341 Y342 V393V341-A421 CarbonylContact O-C 3.6Å; V341-A421 WeakPolarHBondContact O-CA 3.39Å; V341-A421 WeakPolarHBondContact O-CB 3.47Å; Y342-A421 HydrophobicContact CD1-CB 3.59Å; Y342-A421 HydrophobicContact CE1-CB 4.02Å; Y342-A421 HydrophobicContact CG-CB 4.41Å; V393-A421 HydrophobicContact CB-CB 4.46Å; V393-A421 HydrophobicContact CG1-CB 3.81Å; V393-A421 HydrophobicContact CG2-CB 4.2Å
422W98.3Very high97.5Very high57 Ų5748.9 Ų48.922%0.21625%0.252CS..EExtended strand (participates in β ladder)trans-147.2167170.369.192.1000110.3L125 V341 V343 I375 V393L125-W422 HydrophobicContact CD2-CG 4.25Å; L125-W422 PolarHBondContact O-NE1 2.77Å; V341-W422 HydrophobicContact CB-CD2 3.92Å; V341-W422 HydrophobicContact CB-CE3 4.4Å; V341-W422 HydrophobicContact CB-CG 4.44Å; V341-W422 HydrophobicContact CB-CH2 4.19Å; V341-W422 HydrophobicContact CB-CZ2 3.67Å; V341-W422 HydrophobicContact CG1-CD2 4.3Å; V341-W422 HydrophobicContact CG1-CE3 4.44Å; V341-W422 HydrophobicContact CG1-CH2 3.49Å; V341-W422 VanDerWaalsContact CG1-CH2 3.49Å; V341-W422 HydrophobicContact CG1-CZ2 3.29Å; V341-W422 HydrophobicContact CG1-CZ3 4.08Å; V341-W422 HydrophobicContact CG2-CZ2 4.16Å; V341-W422 PolarHBondContact N-O 3.48Å; V341-W422 PolarHBondContact O-N 3Å; V343-W422 HydrophobicContact CG2-CE3 4.33Å; V343-W422 HydrophobicContact CG2-CH2 4.32Å; V343-W422 HydrophobicContact CG2-CZ3 3.48Å; V343-W422 VanDerWaalsContact CG2-CZ3 3.48Å; I375-W422 HydrophobicContact CD1-CH2 3.72Å; I375-W422 HydrophobicContact CG1-CH2 3.92Å; I375-W422 HydrophobicContact CG1-CZ3 4.48Å; I375-W422 HydrophobicContact CG2-CH2 4.31Å; V393-W422 VanDerWaalsContact CG2-CA 3.46Å
423A98.1Very high97.4Very high4 Ų451.4 Ų51.43%0.03326%0.258CS..EExtended strand (participates in β ladder)trans-120.5151.4170.800000110.2L125 K338 R339 Y340 L391 V393L125-A423 WeakPolarHBondContact CD1-O 3.07Å; K338-A423 HydrophobicContact CD-CB 4.06Å; K338-A423 HydrophobicContact CG-CB 3.96Å; R339-A423 VanDerWaalsContact O-CA 3.25Å; R339-A423 WeakPolarHBondContact O-CA 3.42Å; Y340-A423 HydrophobicContact CD1-CB 3.95Å; Y340-A423 HydrophobicContact CE1-CB 4.35Å; L391-A423 HydrophobicContact CB-CB 4.39Å; L391-A423 HydrophobicContact CD2-CB 4.35Å; L391-A423 WeakPolarHBondContact O-CB 3.34Å; V393-A423 HydrophobicContact CG2-CB 4.17Å
424G97.4Very high97.3Very high7 Ų751.5 Ų51.57%0.07226%0.258CS..EExtended strand (participates in β ladder)trans-144.4166.4172.500000111.1K338 R339K338-G424 WeakPolarHBondContact CA-O 3.46Å; R339-G424 PolarHBondContact N-O 3.48Å; R339-G424 PolarHBondContact O-N 3.38Å
425F97.5Very high97.3Very high11 Ų1145.9 Ų45.95%0.04823%0.232CC..EExtended strand (participates in β ladder)trans-95.5136.6175.8-60.2-55000111.3S122 A308 F309 P336 R337 K338 T388 L391S122-F425 WeakPolarHBondContact CB-O 3.15Å; S122-F425 PolarHBondContact OG-O 2.84Å; A308-F425 HydrophobicContact CB-CB 4.05Å; F309-F425 HydrophobicContact CE2-CD2 4.35Å; F309-F425 HydrophobicContact CZ-CD2 4.09Å; F309-F425 HydrophobicContact CZ-CE2 4.08Å; P336-F425 HydrophobicContact CB-CB 4.23Å; P336-F425 HydrophobicContact CB-CD1 3.74Å; P336-F425 HydrophobicContact CB-CD2 4.44Å; P336-F425 HydrophobicContact CB-CE1 4.19Å; P336-F425 HydrophobicContact CB-CG 3.89Å; R337-F425 CarbonylContact O-C 3.47Å; R337-F425 WeakPolarHBondContact O-CA 3.42Å; K338-F425 HydrophobicContact CB-CD1 3.97Å; K338-F425 HydrophobicContact CB-CE1 3.9Å; K338-F425 HydrophobicContact CG-CE1 4.43Å; T388-F425 HydrophobicContact CG2-CE1 4.1Å; T388-F425 WeakPolarHBondContact O-CZ 3.42Å; L391-F425 HydrophobicContact CD1-CE2 4.5Å; L391-F425 HydrophobicContact CD2-CD1 4.08Å; L391-F425 HydrophobicContact CD2-CD2 3.98Å; L391-F425 HydrophobicContact CD2-CE1 3.71Å; L391-F425 HydrophobicContact CD2-CE2 3.61Å; L391-F425 HydrophobicContact CD2-CG 4.2Å; L391-F425 HydrophobicContact CD2-CZ 3.47Å; L391-F425 VanDerWaalsContact CD2-CZ 3.47Å; L391-F425 HydrophobicContact CG-CE2 4.07Å; L391-F425 HydrophobicContact CG-CZ 4.07Å
426Y97.3Very high97.3Very high70 Ų7038 Ų3828%0.27520%0.198SC..EExtended strand (participates in β ladder)trans-80.4141.2151.7-78.911.4000109P336 R337 R339 Y428 S453P336-Y426 WeakPolarHBondContact CA-O 3.39Å; R337-Y426 PolarHBondContact N-O 3.35Å; R337-Y426 PolarHBondContact O-N 3.18Å; R339-Y426 HydrophobicContact CG-CD1 3.91Å; R339-Y426 HydrophobicContact CG-CD2 4.18Å; R339-Y426 HydrophobicContact CG-CE1 4.13Å; R339-Y426 HydrophobicContact CG-CE2 4.37Å; R339-Y426 HydrophobicContact CG-CG 3.96Å; Y426-Y428 PolarHBondContact O-N 3.24Å; Y426-Y428 VanDerWaalsContact O-N 3.14Å; Y426-S453 WeakPolarHBondContact CD2-O 3.44Å
427D96.8Very high97.3Very high19 Ų1937.2 Ų37.210%0.10219%0.194CC..EExtended strand (participates in β ladder)trans-81.275.3163.663.5-39.2000108.5A308 V334 N429 G451 F452 S453A308-D427 HydrophobicContact CB-CB 4.27Å; V334-D427 HydrophobicContact CG1-CB 4.01Å; D427-N429 PolarHBondContact O-N 2.79Å; D427-G451 CarbonylContact O-C 3.57Å; D427-G451 VanDerWaalsContact O-C 3.23Å; D427-G451 WeakPolarHBondContact O-CA 3.44Å; D427-G451 PolarHBondContact OD2-N 3.14Å; D427-F452 PolarHBondContact O-N 3.25Å; D427-F452 PolarHBondContact OD2-N 2.84Å; D427-F452 VanDerWaalsContact OD2-N 3.15Å; D427-S453 PolarHBondContact O-N 3.49Å; D427-S453 VanDerWaalsContact O-N 3.12Å
428Y97.4Very high97.2Very high29 Ų2930.1 Ų30.111%0.11416%0.164CC..EExtended strand (participates in β ladder)trans-77.4120.7-168.7-172.9-103000110.4V334 E335 R337 Y426 T430 Q433V334-Y428 WeakPolarHBondContact CA-O 3.48Å; E335-Y428 PolarHBondContact N-O 2.87Å; E335-Y428 PolarHBondContact O-N 2.65Å; R337-Y428 HydrophobicContact CB-CG 4.36Å; R337-Y428 HydrophobicContact CG-CD1 3.77Å; R337-Y428 HydrophobicContact CG-CD2 4.24Å; R337-Y428 HydrophobicContact CG-CG 3.53Å; Y426-Y428 PolarHBondContact O-N 3.24Å; Y426-Y428 VanDerWaalsContact O-N 3.14Å; Y428-T430 HydrophobicContact CD1-CG2 3.79Å; Y428-T430 HydrophobicContact CE1-CG2 4.08Å; Y428-T430 PolarHBondContact O-N 2.88Å; Y428-Q433 HydrophobicContact CE2-CG 3.73Å; Y428-Q433 PolarHBondContact OH-NE2 2.84Å
429N97.4Very high97Very high0 Ų030.9 Ų30.90%017%0.165CC..EExtended strand (participates in β ladder)trans-82.3108.5170.4179.1-3000109.3P333 V334 D427 F431 D432 Q433 N434 G451 S453 R488P333-N429 WeakPolarHBondContact CG-OD1 3.33Å; P333-N429 CarbonylContact O-C 3.3Å; P333-N429 VanDerWaalsContact O-CA 3.26Å; P333-N429 WeakPolarHBondContact O-CA 3.41Å; P333-N429 PolarHBondContact O-OD1 2.71Å; V334-N429 HydrophobicContact CG2-CB 4.43Å; D427-N429 PolarHBondContact O-N 2.79Å; N429-F431 PolarHBondContact O-N 2.92Å; N429-F431 VanDerWaalsContact OD1-CB 3.29Å; N429-F431 WeakPolarHBondContact OD1-CB 3.47Å; N429-F431 PolarHBondContact OD1-N 3.4Å; N429-D432 PolarHBondContact ND2-OD1 2.98Å; N429-Q433 VanDerWaalsContact O-CA 3.23Å; N429-Q433 WeakPolarHBondContact O-CA 3.1Å; N429-Q433 PolarHBondContact O-N 2.97Å; N429-N434 PolarHBondContact ND2-O 2.73Å; N429-G451 WeakPolarHBondContact CB-O 3.42Å; N429-S453 PolarHBondContact N-OG 2.76Å; N429-R488 PolarHBondContact ND2-NH2 3.16Å
430T95.8Very high96.6Very high67 Ų6727 Ų2741%0.41114%0.141SC..THydrogen-bonded Turntrans-71.4-12.8-177.355.60000113.9P333 E335 Y428P333-T430 PolarHBondContact O-N 3.25Å; P333-T430 PolarHBondContact O-OG1 2.52Å; E335-T430 VanDerWaalsContact CD-CG2 3.45Å; E335-T430 HydrophobicContact CG-CG2 3.78Å; E335-T430 WeakPolarHBondContact OE1-CG2 3.26Å; Y428-T430 HydrophobicContact CD1-CG2 3.79Å; Y428-T430 HydrophobicContact CE1-CG2 4.08Å; Y428-T430 PolarHBondContact O-N 2.88Å
431F95.8Very high96.2Very high46 Ų4625.9 Ų25.920%0.20213%0.132CC..THydrogen-bonded Turntrans-77.5-49.7179.6-177.7-113.5000112P333 N429 R488 I489 P494P333-F431 HydrophobicContact CB-CB 4.21Å; P333-F431 HydrophobicContact CG-CB 3.99Å; N429-F431 PolarHBondContact O-N 2.92Å; N429-F431 VanDerWaalsContact OD1-CB 3.29Å; N429-F431 WeakPolarHBondContact OD1-CB 3.47Å; N429-F431 PolarHBondContact OD1-N 3.4Å; F431-R488 HydrophobicContact CE1-CG 4.36Å; F431-I489 HydrophobicContact CB-CG2 4.46Å; F431-I489 HydrophobicContact CD1-CB 4.34Å; F431-I489 HydrophobicContact CD1-CG1 4Å; F431-I489 HydrophobicContact CD1-CG2 3.99Å; F431-I489 HydrophobicContact CD2-CG2 4.17Å; F431-I489 HydrophobicContact CE1-CB 4.32Å; F431-I489 HydrophobicContact CE1-CG1 4.23Å; F431-I489 HydrophobicContact CE1-CG2 4.24Å; F431-I489 HydrophobicContact CE2-CG2 4.43Å; F431-I489 HydrophobicContact CG-CG2 3.95Å; F431-I489 HydrophobicContact CZ-CG2 4.47Å; F431-P494 HydrophobicContact CD1-CB 4.39Å; F431-P494 HydrophobicContact CE1-CB 3.86Å; F431-P494 HydrophobicContact CZ-CB 3.97Å
432D95.9Very high95.8Very high1 Ų125 Ų251%0.00512%0.124CC..THydrogen-bonded Turntrans-155.712.5-173.667.40.5000114.6N429 N434 R488 P494 M495 L496N429-D432 PolarHBondContact ND2-OD1 2.98Å; D432-N434 PolarHBondContact O-N 3.38Å; D432-N434 PolarHBondContact O-ND2 3.49Å; D432-N434 VanDerWaalsContact O-ND2 3.13Å; D432-N434 WeakPolarHBondContact OD1-CB 3.37Å; D432-N434 PolarHBondContact OD1-N 2.93Å; D432-N434 VanDerWaalsContact OD1-N 3.11Å; D432-R488 IonicContact OD1-CZ 3.98Å; D432-R488 IonicContact OD1-NE 2.72Å; D432-R488 IonicContact OD1-NH2 2.58Å; D432-R488 PolarHBondContact OD1-NH2 3.39Å; D432-R488 VanDerWaalsContact OD1-NH2 3.11Å; D432-R488 WeakPolarHBondContact OD2-CD 3.37Å; D432-R488 IonicContact OD2-CZ 3.81Å; D432-R488 IonicContact OD2-NE 2.74Å; D432-R488 PolarHBondContact OD2-NE 3.09Å; D432-R488 IonicContact OD2-NH2 3.19Å; D432-P494 HydrophobicContact CB-CB 3.78Å; D432-M495 WeakPolarHBondContact CB-O 3.41Å; D432-M495 PolarHBondContact OD2-N 3.29Å; D432-L496 HydrophobicContact CB-CD2 3.92Å
433Q96.1Very high95.6Very high89 Ų8922.3 Ų22.342%0.41611%0.114SC..SBendtrans60.710.8179-50.5176.914.900114.9Y428 N429 S453Y428-Q433 HydrophobicContact CE2-CG 3.73Å; Y428-Q433 PolarHBondContact OH-NE2 2.84Å; N429-Q433 VanDerWaalsContact O-CA 3.23Å; N429-Q433 WeakPolarHBondContact O-CA 3.1Å; N429-Q433 PolarHBondContact O-N 2.97Å; Q433-S453 VanDerWaalsContact C-OG 3.25Å; Q433-S453 VanDerWaalsContact CA-OG 3.28Å; Q433-S453 WeakPolarHBondContact CA-OG 3.26Å; Q433-S453 WeakPolarHBondContact O-CB 3.48Å; Q433-S453 PolarHBondContact O-OG 2.75Å
434N96.3Very high95.2Very high1 Ų124.8 Ų24.81%0.00513%0.127CC..  trans-104.2154.2-179.4-88.5-83.2000113.3N139 N429 D432 G451 L484 R488 M495N139-N434 PolarHBondContact ND2-OD1 3.36Å; N429-N434 PolarHBondContact ND2-O 2.73Å; D432-N434 PolarHBondContact O-N 3.38Å; D432-N434 PolarHBondContact O-ND2 3.49Å; D432-N434 VanDerWaalsContact O-ND2 3.13Å; D432-N434 WeakPolarHBondContact OD1-CB 3.37Å; D432-N434 PolarHBondContact OD1-N 2.93Å; D432-N434 VanDerWaalsContact OD1-N 3.11Å; N434-G451 CarbonylContact C-O 3.49Å; N434-L484 HydrophobicContact CB-CD2 4.18Å; N434-R488 PolarHBondContact O-NH2 3.43Å; N434-R488 VanDerWaalsContact O-NH2 3.12Å; N434-M495 PolarHBondContact ND2-O 2.84Å
435G97.3Very high95.2Very high0 Ų025.1 Ų25.10%013%0.127CC..  trans-54.6150.8178.500000113.9G451 L484 R488G435-G451 PolarHBondContact N-O 3.1Å; G435-L484 WeakPolarHBondContact O-CD2 3.37Å; G435-R488 PolarHBondContact O-NH1 2.9Å; G435-R488 PolarHBondContact O-NH2 3.31Å
436I97.9Very high95.2Very high0 Ų024.6 Ų24.60%013%0.125CC..EExtended strand (participates in β ladder)trans-114.3112.3171.9-54.7177.8000107.6V332 P333 V334 F448 A449 T450 L484 F486 I489V332-I436 HydrophobicContact CG1-CD1 4.36Å; P333-I436 HydrophobicContact CG-CD1 4.07Å; V334-I436 HydrophobicContact CG2-CD1 3.91Å; I436-F448 HydrophobicContact CG2-CB 4.4Å; I436-F448 CarbonylContact O-C 3.27Å; I436-A449 WeakPolarHBondContact O-CA 3.33Å; I436-T450 HydrophobicContact CB-CG2 4.41Å; I436-T450 PolarHBondContact N-O 3.16Å; I436-T450 PolarHBondContact O-N 3.06Å; I436-T450 VanDerWaalsContact O-N 3.16Å; I436-L484 CarbonylContact C-O 3.54Å; I436-L484 WeakPolarHBondContact CA-O 3.28Å; I436-F486 HydrophobicContact CG2-CD1 4.23Å; I436-F486 HydrophobicContact CG2-CD2 3.93Å; I436-F486 HydrophobicContact CG2-CE1 3.92Å; I436-F486 HydrophobicContact CG2-CE2 3.6Å; I436-F486 HydrophobicContact CG2-CG 4.24Å; I436-F486 HydrophobicContact CG2-CZ 3.6Å; I436-I489 HydrophobicContact CD1-CD1 3.53Å; I436-I489 HydrophobicContact CG1-CD1 3.91Å
437I98.2Very high95.2Very high1 Ų123.1 Ų23.11%0.00512%0.119CC..EExtended strand (participates in β ladder)trans-122.4122.1179.5-55.3175.1000109.4F448 F452 V463 V467 F476 L481 L484 S485I437-F448 VanDerWaalsContact CA-O 3.31Å; I437-F448 WeakPolarHBondContact CA-O 3.45Å; I437-F452 HydrophobicContact CD1-CE1 4.42Å; I437-F452 HydrophobicContact CD1-CZ 4.06Å; I437-F452 HydrophobicContact CG1-CZ 3.96Å; I437-V463 HydrophobicContact CD1-CG1 3.94Å; I437-V463 HydrophobicContact CD1-CG2 4.07Å; I437-V463 HydrophobicContact CG1-CG1 4.3Å; I437-V467 HydrophobicContact CG2-CG2 3.92Å; I437-F476 HydrophobicContact CG2-CE1 3.91Å; I437-F476 HydrophobicContact CG2-CZ 3.97Å; I437-L481 HydrophobicContact CD1-CD1 3.77Å; I437-L484 HydrophobicContact CB-CB 4.31Å; I437-L484 HydrophobicContact CD1-CB 4.33Å; I437-L484 HydrophobicContact CD1-CD1 3.78Å; I437-L484 HydrophobicContact CG1-CB 4.28Å; I437-L484 HydrophobicContact CG1-CD1 4.47Å; I437-L484 PolarHBondContact N-O 2.74Å; I437-S485 VanDerWaalsContact O-CA 3.3Å; I437-S485 WeakPolarHBondContact O-CA 3.41Å
438G96.4Very high95.3Very high3 Ų322.2 Ų22.23%0.03111%0.114CC..EExtended strand (participates in β ladder)trans126.9-160.7171.700000114Y447 F448G438-Y447 CarbonylContact O-C 3.5Å; G438-Y447 WeakPolarHBondContact O-CA 3.42Å; G438-F448 PolarHBondContact N-O 3.43Å; G438-F448 PolarHBondContact O-N 3.07Å
439I93.4Very high95.3Very high69 Ų6920.9 Ų20.935%0.35411%0.109SC..EExtended strand (participates in β ladder)trans-97.2137.4-169.6-163.6167.6000111.9I443 N444 Y447 F486I439-I443 WeakPolarHBondContact CD1-O 3.34Å; I439-I443 WeakPolarHBondContact CG1-O 3.29Å; I439-N444 WeakPolarHBondContact CD1-O 3.4Å; I439-Y447 HydrophobicContact CB-CE1 4.43Å; I439-Y447 HydrophobicContact CD1-CE2 4.43Å; I439-F486 WeakPolarHBondContact O-CD2 3.09Å
440H89.8Confident95.4Very high1 Ų120.9 Ų20.91%0.00511%0.109CC..  trans-72.6135.6170.8-172-83.9000109.7I319 L442 I443 F448 F486I319-H440 WeakPolarHBondContact CG2-NE2 3.44Å; H440-L442 PolarHBondContact ND1-N 2.8Å; H440-L442 VanDerWaalsContact ND1-N 3.18Å; H440-L442 PolarHBondContact O-N 3.5Å; H440-I443 HydrophobicContact CB-CD1 4.39Å; H440-I443 PolarHBondContact O-N 3.32Å; H440-F448 HydrophobicContact CB-CD2 4.35Å; H440-F448 HydrophobicContact CB-CE2 3.71Å; H440-F448 HydrophobicContact CB-CZ 4.39Å; H440-F486 HydrophobicContact CB-CD2 4.34Å; H440-F486 HydrophobicContact CB-CE2 4.06Å; H440-F486 HydrophobicContact CB-CZ 4.3Å; H440-F486 AromaticContact CD2-CD1 3.93Å; H440-F486 AromaticContact CD2-CE1 3.73Å; H440-F486 AromaticContact CD2-CZ 3.99Å
441P88.4Confident95.4Very high42 Ų4217.7 Ų17.727%0.2739%0.09SC..THydrogen-bonded Turntrans-60.4-21.7-17427.2-41000114.8M278 L490M278-P441 WeakPolarHBondContact CE-O 3.03Å; P441-L490 HydrophobicContact CB-CD1 4.31Å; P441-L490 HydrophobicContact CG-CD1 3.66Å; P441-L490 HydrophobicContact CG-CD2 4.37Å
442L91Very high95.5Very high8 Ų815.6 Ų15.64%0.0428%0.08CC..THydrogen-bonded Turntrans-99.30.6-179.7-59.7-176.2000114.5I276 K279 I319 L327 A328 H440I276-L442 HydrophobicContact CG2-CD2 3.59Å; K279-L442 PolarHBondContact N-O 3.44Å; I319-L442 HydrophobicContact CD1-CB 3.86Å; I319-L442 HydrophobicContact CD1-CD1 4.32Å; L327-L442 VanDerWaalsContact C-CD1 3.47Å; L327-L442 HydrophobicContact CB-CD1 4.01Å; L327-L442 HydrophobicContact CB-CD2 4.19Å; L327-L442 HydrophobicContact CB-CG 4.29Å; L327-L442 VanDerWaalsContact O-CD1 3.27Å; L327-L442 WeakPolarHBondContact O-CD1 3.47Å; A328-L442 HydrophobicContact CB-CD1 4.06Å; H440-L442 PolarHBondContact ND1-N 2.8Å; H440-L442 VanDerWaalsContact ND1-N 3.18Å; H440-L442 PolarHBondContact O-N 3.5Å
443I92.6Very high95.5Very high0 Ų016.1 Ų16.10%08%0.084CC..BIsolated β-bridgetrans-131.1111.1178.7-49.5161.8000110K279 I281 V317 I319 I439 H440 N445 M446K279-I443 WeakPolarHBondContact O-CA 3.42Å; I281-I443 HydrophobicContact CD1-CG2 4.31Å; I281-I443 HydrophobicContact CG1-CG2 4.36Å; V317-I443 HydrophobicContact CB-CD1 4.37Å; V317-I443 HydrophobicContact CG2-CD1 3.49Å; V317-I443 VanDerWaalsContact CG2-CD1 3.49Å; V317-I443 HydrophobicContact CG2-CG1 4.45Å; I319-I443 HydrophobicContact CD1-CD1 3.95Å; I319-I443 HydrophobicContact CD1-CG1 3.95Å; I319-I443 HydrophobicContact CG1-CD1 3.52Å; I319-I443 HydrophobicContact CG1-CG1 4.11Å; I439-I443 WeakPolarHBondContact CD1-O 3.34Å; I439-I443 WeakPolarHBondContact CG1-O 3.29Å; H440-I443 HydrophobicContact CB-CD1 4.39Å; H440-I443 PolarHBondContact O-N 3.32Å; I443-N445 PolarHBondContact O-N 3.2Å; I443-M446 HydrophobicContact CB-CB 4.07Å; I443-M446 HydrophobicContact CD1-CB 4.31Å; I443-M446 HydrophobicContact CD1-SD 3.91Å; I443-M446 HydrophobicContact CG2-CB 3.46Å; I443-M446 VanDerWaalsContact CG2-CB 3.46Å
444N91.5Very high95.3Very high57 Ų5713.2 Ų13.231%0.3058%0.078SC..THydrogen-bonded Turntrans-72.7-13.4-168.6-63.7-5.3000114.5M278 K279 I439M278-N444 WeakPolarHBondContact CE-OD1 3.45Å; M278-N444 PolarHBondContact SD-OD1 3.28Å; M278-N444 VanDerWaalsContact SD-OD1 3.39Å; K279-N444 PolarHBondContact O-N 2.83Å; I439-N444 WeakPolarHBondContact CD1-O 3.4Å
445N96.3Very high95.2Very high14 Ų1414 Ų148%0.0758%0.082CC..THydrogen-bonded Turntrans-143.429.2-173.669.1-29.1000113.5T280 I281 A300 V302 I443T280-N445 WeakPolarHBondContact CA-OD1 3.37Å; I281-N445 PolarHBondContact N-OD1 2.83Å; I281-N445 PolarHBondContact O-ND2 3.2Å; A300-N445 WeakPolarHBondContact O-CB 3.35Å; A300-N445 PolarHBondContact O-ND2 3.22Å; V302-N445 PolarHBondContact N-O 3Å; I443-N445 PolarHBondContact O-N 3.2Å
446M97.1Very high95.1Very high0 Ų014.4 Ų14.40%09%0.086CC..EExtended strand (participates in β ladder)trans-122.9110.6172.4-171.3172.1-177.200110.5F261 I281 V302 N304 V317 I443 F448F261-M446 HydrophobicContact CZ-CE 4.41Å; I281-M446 HydrophobicContact CD1-CB 4.05Å; I281-M446 HydrophobicContact CD1-CG 4.33Å; I281-M446 HydrophobicContact CD1-SD 3.89Å; V302-M446 HydrophobicContact CB-CG 4.3Å; V302-M446 HydrophobicContact CG1-CG 4.29Å; V302-M446 CarbonylContact O-C 3.46Å; V302-M446 VanDerWaalsContact O-CA 3.28Å; V302-M446 WeakPolarHBondContact O-CA 3.16Å; N304-M446 HydrophobicContact CB-CE 3.56Å; N304-M446 WeakPolarHBondContact ND2-CE 3.46Å; V317-M446 HydrophobicContact CG2-SD 4.13Å; I443-M446 HydrophobicContact CB-CB 4.07Å; I443-M446 HydrophobicContact CD1-CB 4.31Å; I443-M446 HydrophobicContact CD1-SD 3.91Å; I443-M446 HydrophobicContact CG2-CB 3.46Å; I443-M446 VanDerWaalsContact CG2-CB 3.46Å; M446-F448 HydrophobicContact CB-CE2 4.4Å; M446-F448 HydrophobicContact CE-CE1 4.47Å; M446-F448 HydrophobicContact CE-CZ 4.08Å; M446-F448 HydrophobicContact CG-CE2 3.89Å; M446-F448 HydrophobicContact CG-CZ 4.24Å; M446-F448 HydrophobicContact SD-CE2 4.3Å; M446-F448 HydrophobicContact SD-CZ 4.11Å
447Y98.2Very high95.1Very high38 Ų3815 Ų1515%0.1499%0.089CC..EExtended strand (participates in β ladder)trans-91.8150.4176.3-70.8-100.7000109.9L301 V302 V303 N304 G438 I439 L470 I471L301-Y447 HydrophobicContact CD1-CD2 3.69Å; L301-Y447 HydrophobicContact CD1-CE2 3.36Å; L301-Y447 HydrophobicContact CD2-CD2 3.87Å; L301-Y447 HydrophobicContact CD2-CE2 4.4Å; L301-Y447 HydrophobicContact CG-CD2 3.81Å; L301-Y447 HydrophobicContact CG-CE2 3.94Å; V302-Y447 PolarHBondContact O-N 3.14Å; V303-Y447 CarbonylContact C-O 3.48Å; V303-Y447 WeakPolarHBondContact CA-O 3.42Å; N304-Y447 PolarHBondContact N-O 3.23Å; G438-Y447 CarbonylContact O-C 3.5Å; G438-Y447 WeakPolarHBondContact O-CA 3.42Å; I439-Y447 HydrophobicContact CB-CE1 4.43Å; I439-Y447 HydrophobicContact CD1-CE2 4.43Å; Y447-L470 HydrophobicContact CD1-CD2 3.89Å; Y447-L470 HydrophobicContact CD1-CG 4.37Å; Y447-L470 HydrophobicContact CE1-CD2 3.8Å; Y447-L470 HydrophobicContact CE1-CG 3.86Å; Y447-I471 HydrophobicContact CD1-CG1 3.98Å; Y447-I471 HydrophobicContact CD2-CD1 4.43Å; Y447-I471 HydrophobicContact CD2-CG1 4.04Å; Y447-I471 HydrophobicContact CE1-CG1 4.04Å; Y447-I471 HydrophobicContact CE2-CG1 4.12Å; Y447-I471 HydrophobicContact CG-CD1 4.29Å; Y447-I471 HydrophobicContact CG-CG1 3.97Å
448F98.4Very high95.1Very high0 Ų015.4 Ų15.40%09%0.091CC..EExtended strand (participates in β ladder)trans-118.9142.1179.7-70.5-105.3000109.5N304 A314 V332 I436 I437 G438 H440 M446 T450 F486N304-F448 HydrophobicContact CB-CD1 3.85Å; N304-F448 HydrophobicContact CB-CE1 4.01Å; N304-F448 HydrophobicContact CB-CG 4.26Å; N304-F448 WeakPolarHBondContact ND2-CE1 3.49Å; A314-F448 HydrophobicContact CB-CE1 4.15Å; A314-F448 HydrophobicContact CB-CZ 4.21Å; V332-F448 HydrophobicContact CG1-CD1 4.4Å; V332-F448 HydrophobicContact CG1-CE1 4.28Å; V332-F448 HydrophobicContact CG2-CD1 4.5Å; V332-F448 HydrophobicContact CG2-CE1 3.75Å; V332-F448 HydrophobicContact CG2-CZ 4.11Å; I436-F448 HydrophobicContact CG2-CB 4.4Å; I436-F448 CarbonylContact O-C 3.27Å; I437-F448 VanDerWaalsContact CA-O 3.31Å; I437-F448 WeakPolarHBondContact CA-O 3.45Å; G438-F448 PolarHBondContact N-O 3.43Å; G438-F448 PolarHBondContact O-N 3.07Å; H440-F448 HydrophobicContact CB-CD2 4.35Å; H440-F448 HydrophobicContact CB-CE2 3.71Å; H440-F448 HydrophobicContact CB-CZ 4.39Å; M446-F448 HydrophobicContact CB-CE2 4.4Å; M446-F448 HydrophobicContact CE-CE1 4.47Å; M446-F448 HydrophobicContact CE-CZ 4.08Å; M446-F448 HydrophobicContact CG-CE2 3.89Å; M446-F448 HydrophobicContact CG-CZ 4.24Å; M446-F448 HydrophobicContact SD-CE2 4.3Å; M446-F448 HydrophobicContact SD-CZ 4.11Å; F448-T450 HydrophobicContact CB-CG2 4.38Å; F448-T450 HydrophobicContact CD1-CG2 4.16Å; F448-F486 HydrophobicContact CB-CE2 3.87Å; F448-F486 HydrophobicContact CB-CZ 4.21Å; F448-F486 HydrophobicContact CD1-CE2 4.32Å; F448-F486 AromaticContact CD1-CZ 3.93Å; F448-F486 HydrophobicContact CD1-CZ 3.93Å; F448-F486 AromaticContact CD2-CE2 3.49Å; F448-F486 HydrophobicContact CD2-CE2 3.49Å; F448-F486 VanDerWaalsContact CD2-CE2 3.49Å; F448-F486 AromaticContact CD2-CZ 3.82Å; F448-F486 HydrophobicContact CD2-CZ 3.82Å; F448-F486 HydrophobicContact CE1-CZ 4.22Å; F448-F486 HydrophobicContact CE2-CE2 4.1Å; F448-F486 HydrophobicContact CE2-CZ 4.15Å; F448-F486 AromaticContact CG-CE2 3.63Å; F448-F486 HydrophobicContact CG-CE2 3.63Å; F448-F486 AromaticContact CG-CZ 3.71Å; F448-F486 HydrophobicContact CG-CZ 3.71Å; F448-F486 HydrophobicContact CZ-CZ 4.34Å
449A98.4Very high95.1Very high2 Ų215.3 Ų15.32%0.0179%0.09CC..EExtended strand (participates in β ladder)trans-146.384.4168.500000107M89 I93 N304 I436 V463 V467M89-A449 HydrophobicContact CG-CB 4.02Å; M89-A449 HydrophobicContact SD-CB 4.42Å; I93-A449 HydrophobicContact CD1-CB 3.68Å; N304-A449 PolarHBondContact O-N 2.9Å; I436-A449 WeakPolarHBondContact O-CA 3.33Å; A449-V463 HydrophobicContact CB-CG1 4.19Å; A449-V467 HydrophobicContact CB-CG2 3.85Å
450T98.1Very high95.4Very high0 Ų012 Ų120%07%0.073CC..EExtended strand (participates in β ladder)trans-158.7169.3-167.6-170.10000111.6G307 S310 V334 I436 F448G307-T450 PolarHBondContact O-OG1 3.48Å; G307-T450 VanDerWaalsContact O-OG1 3.13Å; S310-T450 WeakPolarHBondContact CB-OG1 3.47Å; S310-T450 WeakPolarHBondContact OG-CB 3.25Å; S310-T450 PolarHBondContact OG-OG1 2.94Å; V334-T450 HydrophobicContact CG2-CG2 4.15Å; I436-T450 HydrophobicContact CB-CG2 4.41Å; I436-T450 PolarHBondContact N-O 3.16Å; I436-T450 PolarHBondContact O-N 3.06Å; I436-T450 VanDerWaalsContact O-N 3.16Å; F448-T450 HydrophobicContact CB-CG2 4.38Å; F448-T450 HydrophobicContact CD1-CG2 4.16Å
451G97.3Very high95.8Very high0 Ų012 Ų120%07%0.073CC..  trans85.324172.700000113.6D427 N429 N434 G435 S453D427-G451 CarbonylContact O-C 3.57Å; D427-G451 VanDerWaalsContact O-C 3.23Å; D427-G451 WeakPolarHBondContact O-CA 3.44Å; D427-G451 PolarHBondContact OD2-N 3.14Å; N429-G451 WeakPolarHBondContact CB-O 3.42Å; N434-G451 CarbonylContact C-O 3.49Å; G435-G451 PolarHBondContact N-O 3.1Å; G451-S453 PolarHBondContact O-N 2.78Å; G451-S453 PolarHBondContact O-OG 2.87Å
452F97.2Very high96.3Very high1 Ų110.5 Ų10.50%0.0046%0.064CC..  trans-81.16.6-174.2-68.3-89.4000113.5M89 D427 I437 G454 H455 G456 Q459 V463M89-F452 HydrophobicContact CE-CD2 3.54Å; M89-F452 HydrophobicContact CE-CE1 4.49Å; M89-F452 HydrophobicContact CE-CE2 3.34Å; M89-F452 HydrophobicContact CE-CG 4.22Å; M89-F452 HydrophobicContact CE-CZ 3.88Å; M89-F452 HydrophobicContact SD-CE2 4.24Å; D427-F452 PolarHBondContact O-N 3.25Å; D427-F452 PolarHBondContact OD2-N 2.84Å; D427-F452 VanDerWaalsContact OD2-N 3.15Å; I437-F452 HydrophobicContact CD1-CE1 4.42Å; I437-F452 HydrophobicContact CD1-CZ 4.06Å; I437-F452 HydrophobicContact CG1-CZ 3.96Å; F452-G454 PolarHBondContact O-N 3.12Å; F452-H455 PolarHBondContact O-CD2 3.11Å; F452-H455 PolarHBondContact O-CE1 3.03Å; F452-H455 PolarHBondContact O-N 3.42Å; F452-H455 PolarHBondContact O-ND1 3.22Å; F452-H455 PolarHBondContact O-NE2 3.26Å; F452-H455 VanDerWaalsContact O-NE2 3.12Å; F452-G456 VanDerWaalsContact CB-CA 3.41Å; F452-Q459 VanDerWaalsContact CD1-OE1 3.24Å; F452-V463 HydrophobicContact CE1-CG2 3.62Å; F452-V463 HydrophobicContact CE2-CG1 4.31Å; F452-V463 HydrophobicContact CZ-CB 4.26Å; F452-V463 HydrophobicContact CZ-CG1 3.69Å; F452-V463 HydrophobicContact CZ-CG2 3.6Å
453S96.1Very high96.7Very high13 Ų1310.1 Ų10.19%0.0916%0.062CC..THydrogen-bonded Turntrans44.339165.2-43.70000115.3Y426 D427 N429 Q433 G451Y426-S453 WeakPolarHBondContact CD2-O 3.44Å; D427-S453 PolarHBondContact O-N 3.49Å; D427-S453 VanDerWaalsContact O-N 3.12Å; N429-S453 PolarHBondContact N-OG 2.76Å; Q433-S453 VanDerWaalsContact C-OG 3.25Å; Q433-S453 VanDerWaalsContact CA-OG 3.28Å; Q433-S453 WeakPolarHBondContact CA-OG 3.26Å; Q433-S453 WeakPolarHBondContact O-CB 3.48Å; Q433-S453 PolarHBondContact O-OG 2.75Å; G451-S453 PolarHBondContact O-N 2.78Å; G451-S453 PolarHBondContact O-OG 2.87Å
454G92.2Very high97Very high28 Ų2810.1 Ų10.129%0.2896%0.062SC..THydrogen-bonded Turntrans106.3-13.617700000117.2F452F452-G454 PolarHBondContact O-N 3.12Å
455H93.3Very high97.3Very high16 Ų1610.8 Ų10.87%0.0746%0.06CC..  trans-1097.7-179.752.1-100.4000114F134 F452 L457 Q458 Q459F134-H455 HydrophobicContact CE1-CB 4.35Å; F134-H455 HydrophobicContact CZ-CB 4.03Å; F452-H455 PolarHBondContact O-CD2 3.11Å; F452-H455 PolarHBondContact O-CE1 3.03Å; F452-H455 PolarHBondContact O-N 3.42Å; F452-H455 PolarHBondContact O-ND1 3.22Å; F452-H455 PolarHBondContact O-NE2 3.26Å; F452-H455 VanDerWaalsContact O-NE2 3.12Å; H455-L457 VanDerWaalsContact C-N 3.32Å; H455-L457 PolarHBondContact O-N 2.99Å; H455-Q458 HydrophobicContact CB-CG 4.44Å; H455-Q458 WeakPolarHBondContact O-CG 3.47Å; H455-Q459 VanDerWaalsContact CD2-CD 3.5Å; H455-Q459 PolarHBondContact CD2-NE2 2.84Å; H455-Q459 PolarHBondContact CD2-OE1 2.96Å; H455-Q459 VanDerWaalsContact CD2-OE1 3.29Å; H455-Q459 PolarHBondContact O-N 2.86Å
456G95.5Very high97.4Very high9 Ų910.3 Ų10.39%0.0936%0.058CC..Hα-helixtrans-65.1-28.8-178.400000114.8F452 S460F452-G456 VanDerWaalsContact CB-CA 3.41Å; G456-S460 WeakPolarHBondContact O-CB 3.34Å; G456-S460 PolarHBondContact O-N 3.49Å
457L97.5Very high97.5Very high14 Ų1410.4 Ų10.47%0.0736%0.059CC..Hα-helixtrans-61.3-57178.6173.364.2000111.1V88 T123 S126 F233 P235 L238 H455 Q459 S460V88-L457 HydrophobicContact CB-CD1 4.35Å; V88-L457 HydrophobicContact CG1-CD1 3.88Å; V88-L457 HydrophobicContact CG2-CD1 4.41Å; T123-L457 HydrophobicContact CG2-CD1 4.11Å; S126-L457 WeakPolarHBondContact OG-CD2 3.24Å; F233-L457 HydrophobicContact CE2-CD1 4.15Å; F233-L457 HydrophobicContact CE2-CD2 4.16Å; F233-L457 HydrophobicContact CE2-CG 4.15Å; F233-L457 HydrophobicContact CZ-CD1 4.18Å; F233-L457 HydrophobicContact CZ-CD2 3.97Å; F233-L457 HydrophobicContact CZ-CG 3.77Å; P235-L457 HydrophobicContact CB-CD1 4.08Å; P235-L457 HydrophobicContact CB-CD2 3.7Å; P235-L457 HydrophobicContact CG-CD2 3.71Å; L238-L457 HydrophobicContact CD2-CD1 4.19Å; H455-L457 VanDerWaalsContact C-N 3.32Å; H455-L457 PolarHBondContact O-N 2.99Å; L457-Q459 VanDerWaalsContact C-N 3.31Å; L457-Q459 PolarHBondContact O-N 3.49Å; L457-S460 WeakPolarHBondContact O-CB 3.44Å; L457-S460 PolarHBondContact O-N 3.47Å; L457-S460 PolarHBondContact O-OG 2.83Å
458Q97.5Very high97.5Very high9 Ų98.6 Ų8.64%0.0425%0.052CC..Hα-helixtrans-65.4-33.4-177.460.8173.8-40.300112.8I130 R131 S146 H455 P461I130-Q458 HydrophobicContact CB-CB 4.17Å; I130-Q458 HydrophobicContact CG1-CB 4.13Å; R131-Q458 PolarHBondContact O-OE1 2.89Å; S146-Q458 WeakPolarHBondContact CB-O 3.49Å; S146-Q458 PolarHBondContact OG-O 2.9Å; H455-Q458 HydrophobicContact CB-CG 4.44Å; H455-Q458 WeakPolarHBondContact O-CG 3.47Å; Q458-P461 WeakPolarHBondContact O-CD 3.49Å
459Q98.4Very high97.4Very high0 Ų08.7 Ų8.70%05%0.052CC..Hα-helixtrans-85.6-11.4-177.6-65.1-176.8-13.900113.3N139 L142 S146 F452 H455 L457 P461 A462 V463N139-Q459 PolarHBondContact OD1-NE2 3.12Å; L142-Q459 HydrophobicContact CB-CB 4.36Å; L142-Q459 HydrophobicContact CB-CG 4.02Å; S146-Q459 PolarHBondContact OG-O 2.9Å; F452-Q459 VanDerWaalsContact CD1-OE1 3.24Å; H455-Q459 VanDerWaalsContact CD2-CD 3.5Å; H455-Q459 PolarHBondContact CD2-NE2 2.84Å; H455-Q459 PolarHBondContact CD2-OE1 2.96Å; H455-Q459 VanDerWaalsContact CD2-OE1 3.29Å; H455-Q459 PolarHBondContact O-N 2.86Å; L457-Q459 VanDerWaalsContact C-N 3.31Å; L457-Q459 PolarHBondContact O-N 3.49Å; Q459-P461 VanDerWaalsContact C-N 3.34Å; Q459-A462 PolarHBondContact O-N 3.14Å; Q459-V463 HydrophobicContact CB-CG2 4.09Å; Q459-V463 WeakPolarHBondContact O-CG2 3.48Å; Q459-V463 PolarHBondContact O-N 3.46Å
460S98.5Very high97.3Very high0 Ų09.8 Ų9.80%06%0.058CC..Hα-helixtrans-54.8-36.1-173.861.90000115.2V88 S92 G456 L457 G464V88-S460 WeakPolarHBondContact CG2-OG 3.49Å; S92-S460 VanDerWaalsContact CB-O 3.29Å; S92-S460 WeakPolarHBondContact CB-O 3.46Å; S92-S460 PolarHBondContact OG-O 3.38Å; G456-S460 WeakPolarHBondContact O-CB 3.34Å; G456-S460 PolarHBondContact O-N 3.49Å; L457-S460 WeakPolarHBondContact O-CB 3.44Å; L457-S460 PolarHBondContact O-N 3.47Å; L457-S460 PolarHBondContact O-OG 2.83Å; S460-G464 PolarHBondContact O-N 2.85Å
461P98.7Very high97.2Very high1 Ų111.1 Ų11.11%0.0067%0.065CC..Hα-helixtrans-60.3-49.4175.5-23.435000113.2W96 F149 M150 F242 Q458 Q459 R465W96-P461 PolarHBondContact NE1-O 3.13Å; F149-P461 HydrophobicContact CB-CB 3.99Å; F149-P461 HydrophobicContact CD1-CB 3.61Å; F149-P461 HydrophobicContact CD1-CG 3.97Å; F149-P461 HydrophobicContact CD2-CB 4.37Å; F149-P461 HydrophobicContact CE1-CB 4.17Å; F149-P461 HydrophobicContact CG-CB 3.72Å; F149-P461 HydrophobicContact CG-CG 4.5Å; M150-P461 HydrophobicContact CG-CG 4.49Å; F242-P461 HydrophobicContact CE2-CG 4.15Å; F242-P461 HydrophobicContact CZ-CB 4Å; F242-P461 HydrophobicContact CZ-CG 4.02Å; Q458-P461 WeakPolarHBondContact O-CD 3.49Å; Q459-P461 VanDerWaalsContact C-N 3.34Å; P461-R465 PolarHBondContact O-N 2.95Å
462A98.7Very high97.1Very high10 Ų1014.2 Ų14.28%0.0838%0.081CC..Hα-helixtrans-72.1-38.8-178.900000112.1L142 E145 S146 Q459 G464 R465 A466L142-A462 HydrophobicContact CD2-CB 3.6Å; L142-A462 WeakPolarHBondContact O-CB 3.42Å; E145-A462 HydrophobicContact CB-CB 3.85Å; S146-A462 VanDerWaalsContact OG-CB 3.23Å; S146-A462 WeakPolarHBondContact OG-CB 3.25Å; S146-A462 PolarHBondContact OG-N 3.43Å; S146-A462 VanDerWaalsContact OG-N 3.16Å; Q459-A462 PolarHBondContact O-N 3.14Å; A462-G464 VanDerWaalsContact C-N 3.34Å; A462-G464 PolarHBondContact O-N 3.42Å; A462-R465 WeakPolarHBondContact O-CB 3.23Å; A462-R465 PolarHBondContact O-N 3.37Å; A462-A466 PolarHBondContact O-N 3.46Å
463V98.8Very high97Very high0 Ų016.3 Ų16.30%09%0.092CC..Hα-helixtrans-62.3-42.9175.8174.40000111.1M89 L142 I437 A449 F452 Q459 R465 A466 V467M89-V463 HydrophobicContact CE-CB 4.33Å; M89-V463 HydrophobicContact CE-CG1 4.17Å; M89-V463 HydrophobicContact SD-CB 3.69Å; M89-V463 HydrophobicContact SD-CG1 3.34Å; M89-V463 WeakPolarHBondContact SD-CG1 3.29Å; M89-V463 HydrophobicContact SD-CG2 4.48Å; L142-V463 HydrophobicContact CD1-CG2 4.26Å; L142-V463 HydrophobicContact CD2-CG2 3.84Å; I437-V463 HydrophobicContact CD1-CG1 3.94Å; I437-V463 HydrophobicContact CD1-CG2 4.07Å; I437-V463 HydrophobicContact CG1-CG1 4.3Å; A449-V463 HydrophobicContact CB-CG1 4.19Å; F452-V463 HydrophobicContact CE1-CG2 3.62Å; F452-V463 HydrophobicContact CE2-CG1 4.31Å; F452-V463 HydrophobicContact CZ-CB 4.26Å; F452-V463 HydrophobicContact CZ-CG1 3.69Å; F452-V463 HydrophobicContact CZ-CG2 3.6Å; Q459-V463 HydrophobicContact CB-CG2 4.09Å; Q459-V463 WeakPolarHBondContact O-CG2 3.48Å; Q459-V463 PolarHBondContact O-N 3.46Å; V463-R465 VanDerWaalsContact C-N 3.26Å; V463-R465 PolarHBondContact O-N 3.09Å; V463-A466 PolarHBondContact O-N 2.97Å; V463-A466 VanDerWaalsContact O-N 3.15Å; V463-V467 HydrophobicContact CG1-CG2 4.16Å; V463-V467 WeakPolarHBondContact O-CG2 3.26Å; V463-V467 PolarHBondContact O-N 3.45Å
464G98.7Very high97Very high0 Ų018.4 Ų18.40%012%0.116CC..Hα-helixtrans-58.4-40.3177.200000112.6S92 W96 S460 A462 A468S92-G464 WeakPolarHBondContact OG-CA 3.34Å; W96-G464 VanDerWaalsContact CD1-C 3.42Å; S460-G464 PolarHBondContact O-N 2.85Å; A462-G464 VanDerWaalsContact C-N 3.34Å; A462-G464 PolarHBondContact O-N 3.42Å; G464-A468 WeakPolarHBondContact O-CB 3.15Å; G464-A468 PolarHBondContact O-N 3.41Å
465R98.6Very high97.2Very high72 Ų7222.2 Ų22.227%0.27213%0.126SC..Hα-helixtrans-63.7-47.6174.3-173.3176.3172.2174.4-3.2111.5W96 P461 A462 V463 V467 A468 E469 T478W96-R465 HydrophobicContact CD2-CB 3.73Å; W96-R465 HydrophobicContact CD2-CG 3.99Å; W96-R465 HydrophobicContact CE3-CB 4.3Å; W96-R465 HydrophobicContact CE3-CG 4.03Å; W96-R465 HydrophobicContact CG-CB 3.93Å; W96-R465 HydrophobicContact CH2-CG 4.29Å; W96-R465 HydrophobicContact CZ2-CB 4.08Å; W96-R465 HydrophobicContact CZ2-CG 4.24Å; W96-R465 HydrophobicContact CZ3-CG 4.19Å; P461-R465 PolarHBondContact O-N 2.95Å; A462-R465 WeakPolarHBondContact O-CB 3.23Å; A462-R465 PolarHBondContact O-N 3.37Å; V463-R465 VanDerWaalsContact C-N 3.26Å; V463-R465 PolarHBondContact O-N 3.09Å; R465-V467 PolarHBondContact O-N 2.94Å; R465-A468 PolarHBondContact O-N 2.98Å; R465-E469 WeakPolarHBondContact CG-OE1 3.48Å; R465-E469 IonicContact NE-OE1 2.85Å; R465-E469 PolarHBondContact NE-OE1 3.37Å; R465-E469 WeakPolarHBondContact O-CG 3.39Å; R465-E469 PolarHBondContact O-N 3.49Å; R465-T478 VanDerWaalsContact CZ-CG2 3.42Å; R465-T478 PolarHBondContact NE-OG1 2.98Å; R465-T478 PolarHBondContact NH2-OG1 2.86Å
466A98.5Very high97.4Very high4 Ų423.2 Ų23.23%0.03313%0.13CC..Hα-helixtrans-61.9-42.2-178.800000112.3A462 V463 E469 L470 F476 L481A462-A466 PolarHBondContact O-N 3.46Å; V463-A466 PolarHBondContact O-N 2.97Å; V463-A466 VanDerWaalsContact O-N 3.15Å; A466-E469 PolarHBondContact O-N 2.8Å; A466-L470 WeakPolarHBondContact O-CB 3.49Å; A466-L470 PolarHBondContact O-N 3.14Å; A466-F476 HydrophobicContact CB-CD1 3.96Å; A466-F476 HydrophobicContact CB-CE1 4.04Å; A466-L481 HydrophobicContact CB-CD1 3.55Å
467V98.5Very high97.4Very high2 Ų228.1 Ų28.11%0.01215%0.149CC..Hα-helixtrans-65.5-42.8175.8174.30000110.9I93 V303 I437 A449 V463 R465 E469 L470 I471I93-V467 HydrophobicContact CD1-CB 4.36Å; I93-V467 HydrophobicContact CD1-CG1 4.17Å; I93-V467 HydrophobicContact CD1-CG2 4.23Å; I93-V467 HydrophobicContact CG1-CB 4.04Å; I93-V467 HydrophobicContact CG1-CG1 4.12Å; I93-V467 HydrophobicContact CG1-CG2 4.3Å; I93-V467 HydrophobicContact CG2-CB 4.4Å; I93-V467 HydrophobicContact CG2-CG1 3.81Å; V303-V467 HydrophobicContact CG1-CG1 4.29Å; I437-V467 HydrophobicContact CG2-CG2 3.92Å; A449-V467 HydrophobicContact CB-CG2 3.85Å; V463-V467 HydrophobicContact CG1-CG2 4.16Å; V463-V467 WeakPolarHBondContact O-CG2 3.26Å; V463-V467 PolarHBondContact O-N 3.45Å; R465-V467 PolarHBondContact O-N 2.94Å; V467-E469 VanDerWaalsContact C-N 3.34Å; V467-E469 PolarHBondContact O-N 2.88Å; V467-L470 PolarHBondContact O-N 2.98Å; V467-I471 HydrophobicContact CG1-CD1 3.75Å; V467-I471 HydrophobicContact CG1-CG1 4.44Å; V467-I471 WeakPolarHBondContact O-CB 3.45Å; V467-I471 VanDerWaalsContact O-CG1 3.29Å; V467-I471 WeakPolarHBondContact O-CG1 3.4Å; V467-I471 PolarHBondContact O-N 2.85Å
468A98Very high97.4Very high0 Ų029.7 Ų29.70%016%0.159CC..Hα-helixtrans-63.3-39.2176.600000112.2W96 L97 K100 G464 R465 I471 L472W96-A468 HydrophobicContact CB-CB 3.65Å; L97-A468 HydrophobicContact CD2-CB 4.05Å; L97-A468 HydrophobicContact CG-CB 4.13Å; K100-A468 HydrophobicContact CD-CB 4.32Å; G464-A468 WeakPolarHBondContact O-CB 3.15Å; G464-A468 PolarHBondContact O-N 3.41Å; R465-A468 PolarHBondContact O-N 2.98Å; A468-I471 PolarHBondContact O-N 2.88Å; A468-L472 VanDerWaalsContact O-CB 3.28Å; A468-L472 WeakPolarHBondContact O-CB 3.49Å; A468-L472 VanDerWaalsContact O-CG 3.31Å; A468-L472 WeakPolarHBondContact O-CG 3.42Å; A468-L472 PolarHBondContact O-N 2.69Å
469E97.4Very high97.3Very high1 Ų130.7 Ų30.71%0.00517%0.165CC..Hα-helixtrans-61.8-47.3173-75.4171.1-178.900111.5K100 R465 A466 V467 I471 L472 D473 G474 E475 K477 T478K100-E469 HydrophobicContact CD-CG 4.05Å; K100-E469 IonicContact NZ-OE1 3.26Å; K100-E469 PolarHBondContact NZ-OE1 2.76Å; R465-E469 WeakPolarHBondContact CG-OE1 3.48Å; R465-E469 IonicContact NE-OE1 2.85Å; R465-E469 PolarHBondContact NE-OE1 3.37Å; R465-E469 WeakPolarHBondContact O-CG 3.39Å; R465-E469 PolarHBondContact O-N 3.49Å; A466-E469 PolarHBondContact O-N 2.8Å; V467-E469 VanDerWaalsContact C-N 3.34Å; V467-E469 PolarHBondContact O-N 2.88Å; E469-I471 VanDerWaalsContact C-N 3.29Å; E469-I471 PolarHBondContact O-N 3.38Å; E469-L472 PolarHBondContact O-N 2.77Å; E469-D473 WeakPolarHBondContact O-CA 3.43Å; E469-D473 VanDerWaalsContact O-CB 3.31Å; E469-D473 WeakPolarHBondContact O-CB 3.42Å; E469-D473 PolarHBondContact O-N 2.65Å; E469-G474 PolarHBondContact O-N 3.46Å; E469-E475 CarbonylContact C-O 3.58Å; E469-K477 HydrophobicContact CB-CG 4.45Å; E469-K477 HydrophobicContact CG-CB 4.2Å; E469-K477 HydrophobicContact CG-CG 4.32Å; E469-K477 WeakPolarHBondContact OE2-CA 3.47Å; E469-K477 WeakPolarHBondContact OE2-CB 3.49Å; E469-K477 PolarHBondContact OE2-N 2.81Å; E469-T478 PolarHBondContact OE1-OG1 3.33Å; E469-T478 PolarHBondContact OE2-N 3.36Å; E469-T478 PolarHBondContact OE2-OG1 2.88Å
470L96.7Very high97.2Very high26 Ų2636.3 Ų36.314%0.13620%0.195CC..Hα-helixtrans-61.9-38.2178.6-167.467.4000112.2Y447 A466 V467 G474 F476Y447-L470 HydrophobicContact CD1-CD2 3.89Å; Y447-L470 HydrophobicContact CD1-CG 4.37Å; Y447-L470 HydrophobicContact CE1-CD2 3.8Å; Y447-L470 HydrophobicContact CE1-CG 3.86Å; A466-L470 WeakPolarHBondContact O-CB 3.49Å; A466-L470 PolarHBondContact O-N 3.14Å; V467-L470 PolarHBondContact O-N 2.98Å; L470-G474 WeakPolarHBondContact O-CA 3.43Å; L470-G474 PolarHBondContact O-N 3.2Å; L470-F476 HydrophobicContact CB-CE1 4.27Å; L470-F476 HydrophobicContact CD2-CE1 4.29Å; L470-F476 HydrophobicContact CD2-CZ 4.2Å
471I96.3Very high97.1Very high28 Ų2836.3 Ų36.314%0.14420%0.195CC..Hα-helixtrans-72.3-45.6178.3-69.7170.4000112.1I81 L97 L301 V303 Y447 V467 A468 E469I81-I471 HydrophobicContact CD1-CG2 4.05Å; L97-I471 HydrophobicContact CD2-CB 4.16Å; L97-I471 HydrophobicContact CD2-CD1 4.19Å; L97-I471 HydrophobicContact CD2-CG2 3.93Å; L301-I471 HydrophobicContact CD1-CD1 4.48Å; L301-I471 HydrophobicContact CD1-CG1 4.18Å; L301-I471 HydrophobicContact CD1-CG2 3.82Å; L301-I471 HydrophobicContact CD2-CD1 3.94Å; L301-I471 HydrophobicContact CD2-CG1 4.47Å; V303-I471 HydrophobicContact CG2-CD1 3.73Å; Y447-I471 HydrophobicContact CD1-CG1 3.98Å; Y447-I471 HydrophobicContact CD2-CD1 4.43Å; Y447-I471 HydrophobicContact CD2-CG1 4.04Å; Y447-I471 HydrophobicContact CE1-CG1 4.04Å; Y447-I471 HydrophobicContact CE2-CG1 4.12Å; Y447-I471 HydrophobicContact CG-CD1 4.29Å; Y447-I471 HydrophobicContact CG-CG1 3.97Å; V467-I471 HydrophobicContact CG1-CD1 3.75Å; V467-I471 HydrophobicContact CG1-CG1 4.44Å; V467-I471 WeakPolarHBondContact O-CB 3.45Å; V467-I471 VanDerWaalsContact O-CG1 3.29Å; V467-I471 WeakPolarHBondContact O-CG1 3.4Å; V467-I471 PolarHBondContact O-N 2.85Å; A468-I471 PolarHBondContact O-N 2.88Å; E469-I471 VanDerWaalsContact C-N 3.29Å; E469-I471 PolarHBondContact O-N 3.38Å
472L95.1Very high97Very high64 Ų6439.3 Ų39.334%0.33522%0.216SC..Hα-helixtrans-90.6-34.8-170.5-64.7174.7000113.4L97 K100 M107 A468 E469L97-L472 HydrophobicContact CD2-CD1 4.24Å; L97-L472 HydrophobicContact CD2-CD2 4.4Å; L97-L472 HydrophobicContact CD2-CG 4.09Å; K100-L472 HydrophobicContact CB-CD1 3.73Å; M107-L472 HydrophobicContact CE-CD2 4.44Å; M107-L472 HydrophobicContact SD-CD2 4.23Å; A468-L472 VanDerWaalsContact O-CB 3.28Å; A468-L472 WeakPolarHBondContact O-CB 3.49Å; A468-L472 VanDerWaalsContact O-CG 3.31Å; A468-L472 WeakPolarHBondContact O-CG 3.42Å; A468-L472 PolarHBondContact O-N 2.69Å; E469-L472 PolarHBondContact O-N 2.77Å
473D95Very high96.9Very high45 Ų4539.8 Ų39.824%0.24122%0.222CC..Hα-helixtrans-108.1-11.3-175.7-58.4-65.2000112.4K102 E469 E475 K477K102-D473 IonicContact NZ-OD1 3.89Å; K102-D473 PolarHBondContact NZ-OD1 2.89Å; E469-D473 WeakPolarHBondContact O-CA 3.43Å; E469-D473 VanDerWaalsContact O-CB 3.31Å; E469-D473 WeakPolarHBondContact O-CB 3.42Å; E469-D473 PolarHBondContact O-N 2.65Å; D473-E475 PolarHBondContact O-N 3.16Å; D473-K477 HydrophobicContact CB-CG 4.26Å
474G94.9Very high96.8Very high58 Ų5839.8 Ų39.860%0.59822%0.222SC*.SBendtrans80.7-4176.900000115E469 L470E469-G474 PolarHBondContact O-N 3.46Å; L470-G474 WeakPolarHBondContact O-CA 3.43Å; L470-G474 PolarHBondContact O-N 3.2Å
475E96.2Very high96.6Very high107 Ų10741.1 Ų41.150%0.523%0.231SC..SBendtrans-152.9159.3179.864.3-174.8173.100110.4E469 D473 K477E469-E475 CarbonylContact C-O 3.58Å; D473-E475 PolarHBondContact O-N 3.16Å; E475-K477 HydrophobicContact CG-CD 4.13Å; E475-K477 WeakPolarHBondContact OE1-CE 3.37Å; E475-K477 IonicContact OE1-NZ 3.71Å; E475-K477 PolarHBondContact OE1-NZ 2.75Å
476F97.3Very high96.4Very high38 Ų3837.9 Ų37.917%0.16722%0.219CC..  trans-67.6136.6171-57.5-64000110.5I437 A466 L470 L479 L481I437-F476 HydrophobicContact CG2-CE1 3.91Å; I437-F476 HydrophobicContact CG2-CZ 3.97Å; A466-F476 HydrophobicContact CB-CD1 3.96Å; A466-F476 HydrophobicContact CB-CE1 4.04Å; L470-F476 HydrophobicContact CB-CE1 4.27Å; L470-F476 HydrophobicContact CD2-CE1 4.29Å; L470-F476 HydrophobicContact CD2-CZ 4.2Å; F476-L479 WeakPolarHBondContact CB-O 3.13Å; F476-L481 HydrophobicContact CD1-CB 4.4Å; F476-L481 HydrophobicContact CD2-CB 4.3Å; F476-L481 HydrophobicContact CE1-CB 4.12Å; F476-L481 HydrophobicContact CE2-CB 4.03Å; F476-L481 HydrophobicContact CG-CB 4.49Å; F476-L481 HydrophobicContact CZ-CB 3.92Å
477K96.8Very high96.2Very high112 Ų11246.4 Ų46.449%0.48725%0.25SS..SBendtrans-112.3-38.7-178.5-63.5-64.8-171.7176.20113E469 D473 E475E469-K477 HydrophobicContact CB-CG 4.45Å; E469-K477 HydrophobicContact CG-CB 4.2Å; E469-K477 HydrophobicContact CG-CG 4.32Å; E469-K477 WeakPolarHBondContact OE2-CA 3.47Å; E469-K477 WeakPolarHBondContact OE2-CB 3.49Å; E469-K477 PolarHBondContact OE2-N 2.81Å; D473-K477 HydrophobicContact CB-CG 4.26Å; E475-K477 HydrophobicContact CG-CD 4.13Å; E475-K477 WeakPolarHBondContact OE1-CE 3.37Å; E475-K477 IonicContact OE1-NZ 3.71Å; E475-K477 PolarHBondContact OE1-NZ 2.75Å
478T96.3Very high96Very high47 Ų4746.8 Ų46.829%0.28825%0.251SS..SBendtrans-92.2-47.4-171.7-54.70000112.1R465 E469R465-T478 VanDerWaalsContact CZ-CG2 3.42Å; R465-T478 PolarHBondContact NE-OG1 2.98Å; R465-T478 PolarHBondContact NH2-OG1 2.86Å; E469-T478 PolarHBondContact OE1-OG1 3.33Å; E469-T478 PolarHBondContact OE2-N 3.36Å; E469-T478 PolarHBondContact OE2-OG1 2.88Å
479L96.5Very high95.8Very high29 Ų2946.8 Ų46.815%0.15225%0.251CS..SBendtrans-128.4132176.2-65.9-178.9000108.5H141 L142 E145 F476 L481H141-L479 HydrophobicContact CB-CD1 4.17Å; H141-L479 HydrophobicContact CB-CD2 3.88Å; L142-L479 HydrophobicContact CD2-CD1 4.07Å; L142-L479 HydrophobicContact CG-CD1 4.35Å; E145-L479 HydrophobicContact CB-CD1 4.45Å; E145-L479 HydrophobicContact CG-CD1 3.83Å; E145-L479 HydrophobicContact CG-CD2 4.11Å; E145-L479 HydrophobicContact CG-CG 4.15Å; F476-L479 WeakPolarHBondContact CB-O 3.13Å; L479-L481 HydrophobicContact CB-CD2 4.14Å; L479-L481 HydrophobicContact CB-CG 4.09Å; L479-L481 PolarHBondContact O-N 3.13Å
480D96Very high95.4Very high118 Ų11849.6 Ų49.663%0.63127%0.266SS*.  trans-73.9107.1169.2-175.93.3000109.5S482D480-S482 WeakPolarHBondContact OD1-CB 3.5Å; D480-S482 PolarHBondContact OD1-N 3.07Å; D480-S482 PolarHBondContact OD1-OG 3Å
481L97.1Very high95.1Very high1 Ų151.4 Ų51.41%0.00528%0.278CS..  trans-112.224.1177.2-57.2178.8000111.4E138 L142 I437 A466 F476 L479 G483 L484E138-L481 HydrophobicContact CB-CD2 4.18Å; E138-L481 HydrophobicContact CG-CD2 4.36Å; L142-L481 HydrophobicContact CD1-CD1 4.43Å; L142-L481 HydrophobicContact CD1-CD2 4.17Å; L142-L481 HydrophobicContact CD2-CD1 3.72Å; L142-L481 HydrophobicContact CD2-CD2 4.27Å; L142-L481 HydrophobicContact CG-CD1 4.3Å; L142-L481 HydrophobicContact CG-CD2 4Å; I437-L481 HydrophobicContact CD1-CD1 3.77Å; A466-L481 HydrophobicContact CB-CD1 3.55Å; F476-L481 HydrophobicContact CD1-CB 4.4Å; F476-L481 HydrophobicContact CD2-CB 4.3Å; F476-L481 HydrophobicContact CE1-CB 4.12Å; F476-L481 HydrophobicContact CE2-CB 4.03Å; F476-L481 HydrophobicContact CG-CB 4.49Å; F476-L481 HydrophobicContact CZ-CB 3.92Å; L479-L481 HydrophobicContact CB-CD2 4.14Å; L479-L481 HydrophobicContact CB-CG 4.09Å; L479-L481 PolarHBondContact O-N 3.13Å; L481-G483 PolarHBondContact O-N 3.03Å; L481-L484 HydrophobicContact CB-CD1 4.35Å; L481-L484 HydrophobicContact CD2-CD1 4.17Å; L481-L484 PolarHBondContact O-N 2.53Å
482S95.8Very high95Very high63 Ų6355.9 Ų55.944%0.44130%0.299SS..G310 helixtrans-58.6-29.5178.658.40000112.9D480 L484 S485D480-S482 WeakPolarHBondContact OD1-CB 3.5Å; D480-S482 PolarHBondContact OD1-N 3.07Å; D480-S482 PolarHBondContact OD1-OG 3Å; S482-L484 VanDerWaalsContact C-N 3.27Å; S482-L484 PolarHBondContact O-N 2.79Å; S482-S485 VanDerWaalsContact O-CB 3.27Å; S482-S485 WeakPolarHBondContact O-CB 3.46Å; S482-S485 PolarHBondContact O-N 2.97Å; S482-S485 VanDerWaalsContact O-N 3.17Å; S482-S485 PolarHBondContact O-OG 2.86Å
483G95.9Very high95Very high20 Ų2058.5 Ų58.521%0.20631%0.309CS..G310 helixtrans-56.9-38.1169.800000112.7L481 S485 R488 M495L481-G483 PolarHBondContact O-N 3.03Å; G483-S485 PolarHBondContact O-N 3.24Å; G483-S485 VanDerWaalsContact O-N 3.13Å; G483-R488 VanDerWaalsContact O-CD 3.26Å; G483-R488 WeakPolarHBondContact O-CD 3.41Å; G483-R488 PolarHBondContact O-NH1 3.13Å; G483-M495 VanDerWaalsContact C-SD 3.54Å; G483-M495 VanDerWaalsContact O-SD 3.36Å
484L97Very high95Very high0 Ų059.5 Ų59.50%032%0.318CS..G310 helixtrans-77.33.7-179.6-60.6177.1000113.9E138 L142 N434 G435 I436 I437 L481 S482 R488E138-L484 HydrophobicContact CB-CD1 4.49Å; L142-L484 HydrophobicContact CD1-CD1 3.87Å; N434-L484 HydrophobicContact CB-CD2 4.18Å; G435-L484 WeakPolarHBondContact O-CD2 3.37Å; I436-L484 CarbonylContact C-O 3.54Å; I436-L484 WeakPolarHBondContact CA-O 3.28Å; I437-L484 HydrophobicContact CB-CB 4.31Å; I437-L484 HydrophobicContact CD1-CB 4.33Å; I437-L484 HydrophobicContact CD1-CD1 3.78Å; I437-L484 HydrophobicContact CG1-CB 4.28Å; I437-L484 HydrophobicContact CG1-CD1 4.47Å; I437-L484 PolarHBondContact N-O 2.74Å; L481-L484 HydrophobicContact CB-CD1 4.35Å; L481-L484 HydrophobicContact CD2-CD1 4.17Å; L481-L484 PolarHBondContact O-N 2.53Å; S482-L484 VanDerWaalsContact C-N 3.27Å; S482-L484 PolarHBondContact O-N 2.79Å; L484-R488 PolarHBondContact O-NH1 2.87Å
485S95.9Very high95Very high28 Ų2858.1 Ų58.120%0.19630%0.297CS..SBendtrans-75.3166.8177.273.60000113.9I437 S482 G483 R487 R488I437-S485 VanDerWaalsContact O-CA 3.3Å; I437-S485 WeakPolarHBondContact O-CA 3.41Å; S482-S485 VanDerWaalsContact O-CB 3.27Å; S482-S485 WeakPolarHBondContact O-CB 3.46Å; S482-S485 PolarHBondContact O-N 2.97Å; S482-S485 VanDerWaalsContact O-N 3.17Å; S482-S485 PolarHBondContact O-OG 2.86Å; G483-S485 PolarHBondContact O-N 3.24Å; G483-S485 VanDerWaalsContact O-N 3.13Å; S485-R487 PolarHBondContact O-N 3.47Å; S485-R487 VanDerWaalsContact O-N 3.08Å; S485-R487 WeakPolarHBondContact OG-CB 3.27Å; S485-R487 PolarHBondContact OG-N 3.22Å; S485-R488 PolarHBondContact O-NH1 3.32Å
486F94.3Very high94.9Very high4 Ų457.8 Ų57.82%0.01830%0.298CS..Hα-helixtrans-58.6-19.3172.2-80.9-80.3000113.7V332 I436 I439 H440 F448 R488 I489 L490V332-F486 HydrophobicContact CG1-CE1 4.44Å; V332-F486 HydrophobicContact CG1-CZ 4.44Å; V332-F486 HydrophobicContact CG2-CE1 3.97Å; V332-F486 HydrophobicContact CG2-CZ 4.02Å; I436-F486 HydrophobicContact CG2-CD1 4.23Å; I436-F486 HydrophobicContact CG2-CD2 3.93Å; I436-F486 HydrophobicContact CG2-CE1 3.92Å; I436-F486 HydrophobicContact CG2-CE2 3.6Å; I436-F486 HydrophobicContact CG2-CG 4.24Å; I436-F486 HydrophobicContact CG2-CZ 3.6Å; I439-F486 WeakPolarHBondContact O-CD2 3.09Å; H440-F486 HydrophobicContact CB-CD2 4.34Å; H440-F486 HydrophobicContact CB-CE2 4.06Å; H440-F486 HydrophobicContact CB-CZ 4.3Å; H440-F486 AromaticContact CD2-CD1 3.93Å; H440-F486 AromaticContact CD2-CE1 3.73Å; H440-F486 AromaticContact CD2-CZ 3.99Å; F448-F486 HydrophobicContact CB-CE2 3.87Å; F448-F486 HydrophobicContact CB-CZ 4.21Å; F448-F486 HydrophobicContact CD1-CE2 4.32Å; F448-F486 AromaticContact CD1-CZ 3.93Å; F448-F486 HydrophobicContact CD1-CZ 3.93Å; F448-F486 AromaticContact CD2-CE2 3.49Å; F448-F486 HydrophobicContact CD2-CE2 3.49Å; F448-F486 VanDerWaalsContact CD2-CE2 3.49Å; F448-F486 AromaticContact CD2-CZ 3.82Å; F448-F486 HydrophobicContact CD2-CZ 3.82Å; F448-F486 HydrophobicContact CE1-CZ 4.22Å; F448-F486 HydrophobicContact CE2-CE2 4.1Å; F448-F486 HydrophobicContact CE2-CZ 4.15Å; F448-F486 AromaticContact CG-CE2 3.63Å; F448-F486 HydrophobicContact CG-CE2 3.63Å; F448-F486 AromaticContact CG-CZ 3.71Å; F448-F486 HydrophobicContact CG-CZ 3.71Å; F448-F486 HydrophobicContact CZ-CZ 4.34Å; F486-R488 VanDerWaalsContact C-N 3.3Å; F486-R488 PolarHBondContact O-N 3.02Å; F486-I489 HydrophobicContact CD1-CD1 4.17Å; F486-I489 PolarHBondContact O-N 3.12Å; F486-L490 HydrophobicContact CB-CD1 4.43Å; F486-L490 WeakPolarHBondContact O-CG 3.49Å; F486-L490 PolarHBondContact O-N 2.85Å
487R93.3Very high94.8Very high184 Ų18457.9 Ų57.969%0.69430%0.298SS*.Hα-helixtrans-52.5-49.8-177.6-179.9177.7174.1171.6-2.2111.3S485 I489 L490 T491S485-R487 PolarHBondContact O-N 3.47Å; S485-R487 VanDerWaalsContact O-N 3.08Å; S485-R487 WeakPolarHBondContact OG-CB 3.27Å; S485-R487 PolarHBondContact OG-N 3.22Å; R487-I489 PolarHBondContact O-N 3.17Å; R487-L490 PolarHBondContact O-N 3.03Å; R487-L490 VanDerWaalsContact O-N 3.1Å; R487-T491 HydrophobicContact CG-CG2 4.3Å; R487-T491 PolarHBondContact O-N 3.18Å; R487-T491 PolarHBondContact O-OG1 3.48Å
488R94.6Very high94.5Very high10 Ų1057.3 Ų57.34%0.03830%0.297CS..Hα-helixtrans-59.4-33.9-177.682.4172.5-178.7-777.8112.4N429 F431 D432 N434 G435 G483 L484 S485 F486 T491 Q492 E493N429-R488 PolarHBondContact ND2-NH2 3.16Å; F431-R488 HydrophobicContact CE1-CG 4.36Å; D432-R488 IonicContact OD1-CZ 3.98Å; D432-R488 IonicContact OD1-NE 2.72Å; D432-R488 IonicContact OD1-NH2 2.58Å; D432-R488 PolarHBondContact OD1-NH2 3.39Å; D432-R488 VanDerWaalsContact OD1-NH2 3.11Å; D432-R488 WeakPolarHBondContact OD2-CD 3.37Å; D432-R488 IonicContact OD2-CZ 3.81Å; D432-R488 IonicContact OD2-NE 2.74Å; D432-R488 PolarHBondContact OD2-NE 3.09Å; D432-R488 IonicContact OD2-NH2 3.19Å; N434-R488 PolarHBondContact O-NH2 3.43Å; N434-R488 VanDerWaalsContact O-NH2 3.12Å; G435-R488 PolarHBondContact O-NH1 2.9Å; G435-R488 PolarHBondContact O-NH2 3.31Å; G483-R488 VanDerWaalsContact O-CD 3.26Å; G483-R488 WeakPolarHBondContact O-CD 3.41Å; G483-R488 PolarHBondContact O-NH1 3.13Å; L484-R488 PolarHBondContact O-NH1 2.87Å; S485-R488 PolarHBondContact O-NH1 3.32Å; F486-R488 VanDerWaalsContact C-N 3.3Å; F486-R488 PolarHBondContact O-N 3.02Å; R488-T491 WeakPolarHBondContact CA-OG1 3.13Å; R488-T491 PolarHBondContact O-OG1 3.07Å; R488-Q492 PolarHBondContact O-N 3.24Å; R488-E493 WeakPolarHBondContact CB-O 3.4Å; R488-E493 PolarHBondContact O-N 3.07Å
489I92.9Very high93.8Very high0 Ų058 Ų580%030%0.3CS..Hα-helixtrans-75.8-40.7-178.9-43.8179.5000109.7F330 P333 F431 I436 F486 R487 T491 Q492F330-I489 HydrophobicContact CE1-CB 4.24Å; F330-I489 HydrophobicContact CE1-CG2 3.53Å; F330-I489 HydrophobicContact CE2-CG2 4.06Å; F330-I489 HydrophobicContact CZ-CB 4.13Å; F330-I489 HydrophobicContact CZ-CG2 3.08Å; P333-I489 HydrophobicContact CG-CD1 4.09Å; P333-I489 HydrophobicContact CG-CG2 4.26Å; F431-I489 HydrophobicContact CB-CG2 4.46Å; F431-I489 HydrophobicContact CD1-CB 4.34Å; F431-I489 HydrophobicContact CD1-CG1 4Å; F431-I489 HydrophobicContact CD1-CG2 3.99Å; F431-I489 HydrophobicContact CD2-CG2 4.17Å; F431-I489 HydrophobicContact CE1-CB 4.32Å; F431-I489 HydrophobicContact CE1-CG1 4.23Å; F431-I489 HydrophobicContact CE1-CG2 4.24Å; F431-I489 HydrophobicContact CE2-CG2 4.43Å; F431-I489 HydrophobicContact CG-CG2 3.95Å; F431-I489 HydrophobicContact CZ-CG2 4.47Å; I436-I489 HydrophobicContact CD1-CD1 3.53Å; I436-I489 HydrophobicContact CG1-CD1 3.91Å; F486-I489 HydrophobicContact CD1-CD1 4.17Å; F486-I489 PolarHBondContact O-N 3.12Å; R487-I489 PolarHBondContact O-N 3.17Å; I489-T491 VanDerWaalsContact C-N 3.34Å; I489-T491 PolarHBondContact O-N 3.23Å; I489-Q492 PolarHBondContact O-N 3.29Å; I489-Q492 PolarHBondContact O-NE2 3.41Å
490L89.6Confident93Very high59 Ų5958.4 Ų58.431%0.30930%0.301SS..Hα-helixtrans-67.7-33.7175.7-61.9167.5000112.4L327 F330 P441 F486 R487 Q492L327-L490 HydrophobicContact CD2-CD2 3.8Å; F330-L490 HydrophobicContact CD1-CD2 4.08Å; F330-L490 HydrophobicContact CG-CD2 4.05Å; P441-L490 HydrophobicContact CB-CD1 4.31Å; P441-L490 HydrophobicContact CG-CD1 3.66Å; P441-L490 HydrophobicContact CG-CD2 4.37Å; F486-L490 HydrophobicContact CB-CD1 4.43Å; F486-L490 WeakPolarHBondContact O-CG 3.49Å; F486-L490 PolarHBondContact O-N 2.85Å; R487-L490 PolarHBondContact O-N 3.03Å; R487-L490 VanDerWaalsContact O-N 3.1Å; L490-Q492 VanDerWaalsContact C-N 3.33Å
491T91.4Very high91.4Very high65 Ų6556.2 Ų56.240%0.39929%0.292SS..THydrogen-bonded Turntrans-86-3177.555.20000113.5R487 R488 I489 E493R487-T491 HydrophobicContact CG-CG2 4.3Å; R487-T491 PolarHBondContact O-N 3.18Å; R487-T491 PolarHBondContact O-OG1 3.48Å; R488-T491 WeakPolarHBondContact CA-OG1 3.13Å; R488-T491 PolarHBondContact O-OG1 3.07Å; I489-T491 VanDerWaalsContact C-N 3.34Å; I489-T491 PolarHBondContact O-N 3.23Å; T491-E493 VanDerWaalsContact C-N 3.3Å; T491-E493 WeakPolarHBondContact CB-OE2 3.45Å; T491-E493 PolarHBondContact O-N 3.48Å; T491-E493 PolarHBondContact OG1-OE2 3.16Å
492Q92.6Very high91.1Very high121 Ų12159 Ų5957%0.56531%0.307SS*.THydrogen-bonded Turntrans58.640.2-177.4-59.2-69.5-65.200112.8R488 I489 L490 P494R488-Q492 PolarHBondContact O-N 3.24Å; I489-Q492 PolarHBondContact O-N 3.29Å; I489-Q492 PolarHBondContact O-NE2 3.41Å; L490-Q492 VanDerWaalsContact C-N 3.33Å; Q492-P494 VanDerWaalsContact O-CD 3.28Å; Q492-P494 WeakPolarHBondContact O-CD 3.04Å
493E94.9Very high90.9Very high119 Ų11958.8 Ų58.856%0.55630%0.3SS*.  trans-112.283.6179.3-68.7169.115700109.4R488 T491R488-E493 WeakPolarHBondContact CB-O 3.4Å; R488-E493 PolarHBondContact O-N 3.07Å; T491-E493 VanDerWaalsContact C-N 3.3Å; T491-E493 WeakPolarHBondContact CB-OE2 3.45Å; T491-E493 PolarHBondContact O-N 3.48Å; T491-E493 PolarHBondContact OG1-OE2 3.16Å
494P95.6Very high90.6Very high66 Ų6660.9 Ų60.943%0.42931%0.305SS..  trans-68.5144-17729.3-35.6000112.3F431 D432 Q492 L496F431-P494 HydrophobicContact CD1-CB 4.39Å; F431-P494 HydrophobicContact CE1-CB 3.86Å; F431-P494 HydrophobicContact CZ-CB 3.97Å; D432-P494 HydrophobicContact CB-CB 3.78Å; Q492-P494 VanDerWaalsContact O-CD 3.28Å; Q492-P494 WeakPolarHBondContact O-CD 3.04Å; P494-L496 HydrophobicContact CB-CG 4.38Å
495M94.5Very high90.2Very high30 Ų3064.5 Ų64.515%0.14832%0.323CS..  trans-103.898.4170.5-68.7175.86800108.3L136 E138 D432 N434 G483L136-M495 HydrophobicContact CD1-CB 4.02Å; L136-M495 HydrophobicContact CD1-CE 4.38Å; E138-M495 HydrophobicContact CG-CE 4.28Å; E138-M495 WeakPolarHBondContact OE1-CE 3.4Å; D432-M495 WeakPolarHBondContact CB-O 3.41Å; D432-M495 PolarHBondContact OD2-N 3.29Å; N434-M495 PolarHBondContact ND2-O 2.84Å; G483-M495 VanDerWaalsContact C-SD 3.54Å; G483-M495 VanDerWaalsContact O-SD 3.36Å
496L94.3Very high89.9Confident100 Ų10066.8 Ų66.852%0.52433%0.331SS..PPolyproline II helixtrans-98.8132.6-177.9-65.6172000110.9D432 P494D432-L496 HydrophobicContact CB-CD2 3.92Å; P494-L496 HydrophobicContact CB-CG 4.38Å
497E94.6Very high89.6Confident39 Ų3971 Ų7118%0.18235%0.352CS..PPolyproline II helixtrans-70.8141.9165.9-75.6-71.3176.600110.5S135 L136 N139 I500S135-E497 WeakPolarHBondContact CA-OE2 3.43Å; S135-E497 VanDerWaalsContact CB-OE2 3.29Å; S135-E497 WeakPolarHBondContact CB-OE2 3.44Å; S135-E497 PolarHBondContact N-OE2 3.21Å; S135-E497 WeakPolarHBondContact OG-CA 3.34Å; S135-E497 PolarHBondContact OG-OE2 2.84Å; L136-E497 WeakPolarHBondContact CB-OE1 3.37Å; L136-E497 HydrophobicContact CD1-CG 4.09Å; L136-E497 HydrophobicContact CG-CG 4.34Å; L136-E497 PolarHBondContact N-OE1 3.43Å; L136-E497 PolarHBondContact N-OE2 2.98Å; N139-E497 PolarHBondContact ND2-OE1 3.44Å; E497-I500 HydrophobicContact CB-CB 3.91Å; E497-I500 HydrophobicContact CB-CG1 3.84Å; E497-I500 HydrophobicContact CG-CB 4.5Å; E497-I500 HydrophobicContact CG-CG1 4.33Å; E497-I500 WeakPolarHBondContact OE2-CG1 3.28Å
498Q91.4Very high89.3Confident100 Ų10062.9 Ų62.947%0.46733%0.327SS..SBendtrans-101.5117.7179.1-62.9-171.6-20.300110.9S135 I185 N189 I500S135-Q498 PolarHBondContact OG-N 2.91Å; I185-Q498 HydrophobicContact CG2-CB 3.87Å; N189-Q498 PolarHBondContact ND2-O 3.19Å; Q498-I500 VanDerWaalsContact C-N 3.32Å; Q498-I500 PolarHBondContact O-N 3.19Å
499N82.1Confident88.9Confident62 Ų6267 Ų6733%0.33235%0.349SS..SBendtrans54.843.1177.2-166.139.7000113.9V182 I185V182-N499 WeakPolarHBondContact CB-ND2 3.47Å; V182-N499 WeakPolarHBondContact CG2-ND2 3.44Å; I185-N499 HydrophobicContact CB-CB 4.33Å; I185-N499 HydrophobicContact CG2-CB 3.78Å
500I78.7Confident88.5Confident37 Ų3772.6 Ų72.619%0.1938%0.379CS..  trans-112.2131.8175.6-57.9-53.5000108.6Q133 F134 E497 Q498Q133-I500 WeakPolarHBondContact O-CD1 3.2Å; F134-I500 HydrophobicContact CD1-CG2 4.06Å; F134-I500 HydrophobicContact CE1-CG2 4.24Å; E497-I500 HydrophobicContact CB-CB 3.91Å; E497-I500 HydrophobicContact CB-CG1 3.84Å; E497-I500 HydrophobicContact CG-CB 4.5Å; E497-I500 HydrophobicContact CG-CG1 4.33Å; E497-I500 WeakPolarHBondContact OE2-CG1 3.28Å; Q498-I500 VanDerWaalsContact C-N 3.32Å; Q498-I500 PolarHBondContact O-N 3.19Å
501V62.8Low88.4Confident73 Ų7373.8 Ų73.844%0.44239%0.385SS..  trans-89.10178.7-174.50000111.9R131 I358R131-V501 PolarHBondContact NH1-O 2.88Å; R131-V501 PolarHBondContact NH2-O 3.18Å; I358-V501 HydrophobicContact CG2-CB 3.75Å; I358-V501 HydrophobicContact CG2-CG1 4.12Å; I358-V501 HydrophobicContact CG2-CG2 3.5Å; I358-V501 VanDerWaalsContact CG2-CG2 3.5Å

Retrieved 501 of 501 residues in 353 ms (Link to these results)

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