A0A3Q0KEP5_SCHMA Loading...

NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial

AlphaFold DB , UniProt , Accession A0A3Q0KEP5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 767 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
1M35.5Very low41.1Very low210 Ų210100.8 Ų100.8100%1.03453%0.531SS*.  0-68.40-76.9176.6167.800112.4G3 R4 Q5M1-G3 VanDerWaalsContact C-N 3.34Å; M1-G3 PolarHBondContact O-N 2.69Å; M1-G3 VanDerWaalsContact O-N 3.07Å; M1-R4 PolarHBondContact O-N 3.14Å; M1-Q5 PolarHBondContact O-N 3.38Å
2L32.8Very low41.4Very low150 Ų15098.1 Ų98.179%0.78552%0.517SS*.Hα-helixtrans-41.5-48.7-173.6-73.2162.3000115.7R4 Q5 F6L2-R4 PolarHBondContact O-N 2.71Å; L2-Q5 PolarHBondContact O-N 3.23Å; L2-F6 PolarHBondContact O-N 3.17Å; L2-F6 VanDerWaalsContact O-N 3.14Å
3G37.8Very low41.7Very low53 Ų53106.5 Ų106.555%0.54654%0.537SS..Hα-helixtrans-59.8-36.9178.300000114.9M1 F6 C7M1-G3 VanDerWaalsContact C-N 3.34Å; M1-G3 PolarHBondContact O-N 2.69Å; M1-G3 VanDerWaalsContact O-N 3.07Å; G3-F6 WeakPolarHBondContact O-CB 3.18Å; G3-F6 PolarHBondContact O-N 3.41Å; G3-C7 PolarHBondContact O-N 3.23Å
4R46.7Very low42.1Very low142 Ų142113 Ų11354%0.53655%0.552SS.*Hα-helixtrans-70.9-36177.7-74-173170.4176.9-5.6112.1M1 L2 F6 C7 I8 D674M1-R4 PolarHBondContact O-N 3.14Å; L2-R4 PolarHBondContact O-N 2.71Å; R4-F6 VanDerWaalsContact C-N 3.26Å; R4-F6 PolarHBondContact O-N 3.2Å; R4-C7 PolarHBondContact O-N 3.42Å; R4-I8 WeakPolarHBondContact O-CG1 3.46Å; R4-I8 PolarHBondContact O-N 2.86Å; R4-I8 VanDerWaalsContact O-N 3.15Å; R4-D674 IonicContact NH2-OD2 3.18Å
5Q36.4Very low42Very low124 Ų124109.5 Ų109.558%0.57953%0.533SS*.Hα-helixtrans-63-33.9171-72.5173.5-59.400111.8M1 L2 I8 S9M1-Q5 PolarHBondContact O-N 3.38Å; L2-Q5 PolarHBondContact O-N 3.23Å; Q5-I8 PolarHBondContact O-N 2.85Å; Q5-S9 PolarHBondContact O-N 3.09Å
6F38.9Very low41.7Very low147 Ų147108.1 Ų108.165%0.64553%0.529SS*.Hα-helixtrans-64.6-46.6176.6-153.1-95.7000111.7L2 G3 R4 I8 S9 V10L2-F6 PolarHBondContact O-N 3.17Å; L2-F6 VanDerWaalsContact O-N 3.14Å; G3-F6 WeakPolarHBondContact O-CB 3.18Å; G3-F6 PolarHBondContact O-N 3.41Å; R4-F6 VanDerWaalsContact C-N 3.26Å; R4-F6 PolarHBondContact O-N 3.2Å; F6-I8 PolarHBondContact O-N 2.79Å; F6-S9 PolarHBondContact O-N 3.18Å; F6-S9 VanDerWaalsContact O-N 3.13Å; F6-S9 PolarHBondContact O-OG 3.41Å; F6-V10 HydrophobicContact CD1-CG2 4.34Å; F6-V10 HydrophobicContact CE1-CG2 4.3Å; F6-V10 PolarHBondContact O-N 3.26Å; F6-V10 VanDerWaalsContact O-N 3.1Å
7C42.2Very low41.3Very low89 Ų89103.4 Ų103.460%0.60152%0.515SS*.Hα-helixtrans-56.6-47.4173.6-64.80000112.2G3 R4 S9 V10 W11G3-C7 PolarHBondContact O-N 3.23Å; R4-C7 PolarHBondContact O-N 3.42Å; C7-S9 VanDerWaalsContact C-N 3.26Å; C7-S9 PolarHBondContact O-N 3.25Å; C7-V10 PolarHBondContact O-N 3.14Å; C7-V10 VanDerWaalsContact O-N 3.15Å; C7-W11 WeakPolarHBondContact O-CB 3.42Å; C7-W11 PolarHBondContact O-N 3.39Å
8I47Very low41.1Very low44 Ų44102.1 Ų102.123%0.22651%0.514CS..Hα-helixtrans-59.2-37.4177.1-65.1165000111.4R4 Q5 F6 W11 L12 V362R4-I8 WeakPolarHBondContact O-CG1 3.46Å; R4-I8 PolarHBondContact O-N 2.86Å; R4-I8 VanDerWaalsContact O-N 3.15Å; Q5-I8 PolarHBondContact O-N 2.85Å; F6-I8 PolarHBondContact O-N 2.79Å; I8-W11 PolarHBondContact O-N 3.05Å; I8-L12 HydrophobicContact CG2-CD1 4.1Å; I8-L12 HydrophobicContact CG2-CG 4.47Å; I8-L12 WeakPolarHBondContact O-CB 3.38Å; I8-L12 WeakPolarHBondContact O-CG 3.2Å; I8-L12 PolarHBondContact O-N 2.69Å; I8-V362 HydrophobicContact CD1-CG2 3.75Å
9S41.9Very low40.7Very low51 Ų51100.4 Ų100.436%0.35751%0.506SS..Hα-helixtrans-68.5-35.1177.581.80000113.6Q5 F6 C7 R13Q5-S9 PolarHBondContact O-N 3.09Å; F6-S9 PolarHBondContact O-N 3.18Å; F6-S9 VanDerWaalsContact O-N 3.13Å; F6-S9 PolarHBondContact O-OG 3.41Å; C7-S9 VanDerWaalsContact C-N 3.26Å; C7-S9 PolarHBondContact O-N 3.25Å; S9-R13 WeakPolarHBondContact O-CG 3.43Å; S9-R13 PolarHBondContact O-N 3.17Å
10V48.7Very low40.1Very low70 Ų70101.5 Ų101.542%0.42451%0.512SS..Hα-helixtrans-73.6-39.9174.6175.20000110.4F6 C7 R13 R14F6-V10 HydrophobicContact CD1-CG2 4.34Å; F6-V10 HydrophobicContact CE1-CG2 4.3Å; F6-V10 PolarHBondContact O-N 3.26Å; F6-V10 VanDerWaalsContact O-N 3.1Å; C7-V10 PolarHBondContact O-N 3.14Å; C7-V10 VanDerWaalsContact O-N 3.15Å; V10-R13 PolarHBondContact O-N 3.45Å; V10-R14 PolarHBondContact O-N 3.47Å
11W44.1Very low39.7Very low29 Ų29106.4 Ų106.411%0.1152%0.524CS..Hα-helixtrans-58.3-53.3174.6-172.685.9000111.3C7 I8 R13 R14 F15 L361 A668 E671C7-W11 WeakPolarHBondContact O-CB 3.42Å; C7-W11 PolarHBondContact O-N 3.39Å; I8-W11 PolarHBondContact O-N 3.05Å; W11-R13 PolarHBondContact O-N 2.98Å; W11-R13 VanDerWaalsContact O-N 3.17Å; W11-R14 PolarHBondContact O-N 3.41Å; W11-F15 HydrophobicContact CD2-CD2 4.28Å; W11-F15 AromaticContact CE2-CD2 3.66Å; W11-F15 AromaticContact CE2-CE2 3.89Å; W11-F15 HydrophobicContact CH2-CD1 4.05Å; W11-F15 AromaticContact CH2-CD2 3.88Å; W11-F15 HydrophobicContact CH2-CD2 3.88Å; W11-F15 AromaticContact CH2-CE1 3.99Å; W11-F15 HydrophobicContact CH2-CE1 3.99Å; W11-F15 AromaticContact CH2-CE2 3.84Å; W11-F15 HydrophobicContact CH2-CE2 3.84Å; W11-F15 AromaticContact CH2-CG 3.99Å; W11-F15 HydrophobicContact CH2-CG 3.99Å; W11-F15 AromaticContact CH2-CZ 3.9Å; W11-F15 HydrophobicContact CH2-CZ 3.9Å; W11-F15 HydrophobicContact CZ2-CD1 4.42Å; W11-F15 AromaticContact CZ2-CD2 3.44Å; W11-F15 HydrophobicContact CZ2-CD2 3.44Å; W11-F15 VanDerWaalsContact CZ2-CD2 3.44Å; W11-F15 HydrophobicContact CZ2-CE1 4.29Å; W11-F15 AromaticContact CZ2-CE2 3.29Å; W11-F15 HydrophobicContact CZ2-CE2 3.29Å; W11-F15 HydrophobicContact CZ2-CG 4.03Å; W11-F15 AromaticContact CZ2-CZ 3.75Å; W11-F15 HydrophobicContact CZ2-CZ 3.75Å; W11-F15 HydrophobicContact CZ3-CD1 4.43Å; W11-F15 HydrophobicContact CZ3-CD2 4.46Å; W11-F15 HydrophobicContact CZ3-CG 4.27Å; W11-F15 WeakPolarHBondContact O-CB 3.39Å; W11-F15 PolarHBondContact O-N 2.8Å; W11-L361 HydrophobicContact CH2-CD1 3.85Å; W11-L361 HydrophobicContact CZ3-CD1 4.19Å; W11-A668 HydrophobicContact CH2-CB 4.01Å; W11-A668 HydrophobicContact CZ2-CB 3.55Å; W11-E671 VanDerWaalsContact CD1-CD 3.47Å; W11-E671 PolarHBondContact NE1-OE2 3.14Å
12L44.9Very low39.5Very low68 Ų68101.7 Ų101.736%0.35650%0.5SS..Hα-helixtrans-55.8-34.8176.6-75.4168.6000112.9I8 N16I8-L12 HydrophobicContact CG2-CD1 4.1Å; I8-L12 HydrophobicContact CG2-CG 4.47Å; I8-L12 WeakPolarHBondContact O-CB 3.38Å; I8-L12 WeakPolarHBondContact O-CG 3.2Å; I8-L12 PolarHBondContact O-N 2.69Å; L12-N16 VanDerWaalsContact O-CB 3.3Å; L12-N16 WeakPolarHBondContact O-CB 3.5Å; L12-N16 VanDerWaalsContact O-CG 3.31Å; L12-N16 PolarHBondContact O-N 3.43Å; L12-N16 PolarHBondContact O-ND2 3Å
13R45.5Very low39.4Very low207 Ų20797.7 Ų97.778%0.78149%0.488SS*.Hα-helixtrans-70.7-38.9174.5-73.8-179.6178.1-162.50.3112.9S9 V10 W11 G17S9-R13 WeakPolarHBondContact O-CG 3.43Å; S9-R13 PolarHBondContact O-N 3.17Å; V10-R13 PolarHBondContact O-N 3.45Å; W11-R13 PolarHBondContact O-N 2.98Å; W11-R13 VanDerWaalsContact O-N 3.17Å; R13-G17 PolarHBondContact O-N 2.85Å
14R46.6Very low39Very low198 Ų19898.4 Ų98.475%0.74749%0.485SS*.Hα-helixtrans-67.6-48.5172.6-78.7-175168.1-171.9-3.5111.6V10 W11 N16 G17 T18V10-R14 PolarHBondContact O-N 3.47Å; W11-R14 PolarHBondContact O-N 3.41Å; R14-N16 PolarHBondContact O-N 3.4Å; R14-G17 WeakPolarHBondContact O-CA 3.03Å; R14-G17 PolarHBondContact O-N 3.45Å; R14-T18 PolarHBondContact O-N 3.23Å; R14-T18 PolarHBondContact O-OG1 3.35Å
15F41.5Very low38.2Very low60 Ų6096 Ų9626%0.26349%0.49SS..Hα-helixtrans-58.7-46.3-178.9-133.9-107.5000111.8W11 T18W11-F15 HydrophobicContact CD2-CD2 4.28Å; W11-F15 AromaticContact CE2-CD2 3.66Å; W11-F15 AromaticContact CE2-CE2 3.89Å; W11-F15 HydrophobicContact CH2-CD1 4.05Å; W11-F15 AromaticContact CH2-CD2 3.88Å; W11-F15 HydrophobicContact CH2-CD2 3.88Å; W11-F15 AromaticContact CH2-CE1 3.99Å; W11-F15 HydrophobicContact CH2-CE1 3.99Å; W11-F15 AromaticContact CH2-CE2 3.84Å; W11-F15 HydrophobicContact CH2-CE2 3.84Å; W11-F15 AromaticContact CH2-CG 3.99Å; W11-F15 HydrophobicContact CH2-CG 3.99Å; W11-F15 AromaticContact CH2-CZ 3.9Å; W11-F15 HydrophobicContact CH2-CZ 3.9Å; W11-F15 HydrophobicContact CZ2-CD1 4.42Å; W11-F15 AromaticContact CZ2-CD2 3.44Å; W11-F15 HydrophobicContact CZ2-CD2 3.44Å; W11-F15 VanDerWaalsContact CZ2-CD2 3.44Å; W11-F15 HydrophobicContact CZ2-CE1 4.29Å; W11-F15 AromaticContact CZ2-CE2 3.29Å; W11-F15 HydrophobicContact CZ2-CE2 3.29Å; W11-F15 HydrophobicContact CZ2-CG 4.03Å; W11-F15 AromaticContact CZ2-CZ 3.75Å; W11-F15 HydrophobicContact CZ2-CZ 3.75Å; W11-F15 HydrophobicContact CZ3-CD1 4.43Å; W11-F15 HydrophobicContact CZ3-CD2 4.46Å; W11-F15 HydrophobicContact CZ3-CG 4.27Å; W11-F15 WeakPolarHBondContact O-CB 3.39Å; W11-F15 PolarHBondContact O-N 2.8Å; F15-T18 PolarHBondContact O-N 3.05Å
16N37.3Very low37.8Very low87 Ų8797.3 Ų97.347%0.46549%0.494SS..Hα-helixtrans-72.3-27.2174.6-68.9-23.2000113.1L12 R14 T18 I19 L20L12-N16 VanDerWaalsContact O-CB 3.3Å; L12-N16 WeakPolarHBondContact O-CB 3.5Å; L12-N16 VanDerWaalsContact O-CG 3.31Å; L12-N16 PolarHBondContact O-N 3.43Å; L12-N16 PolarHBondContact O-ND2 3Å; R14-N16 PolarHBondContact O-N 3.4Å; N16-T18 VanDerWaalsContact C-N 3.34Å; N16-I19 PolarHBondContact O-N 2.92Å; N16-L20 PolarHBondContact O-N 3.03Å; N16-L20 VanDerWaalsContact O-N 3.09Å
17G35.3Very low37.2Very low29 Ų29100.4 Ų100.430%0.29950%0.501SS..Hα-helixtrans-63.5-36.617300000113.2R13 R14 L20 R21R13-G17 PolarHBondContact O-N 2.85Å; R14-G17 WeakPolarHBondContact O-CA 3.03Å; R14-G17 PolarHBondContact O-N 3.45Å; G17-L20 PolarHBondContact O-N 3.49Å; G17-R21 PolarHBondContact O-N 2.95Å; G17-R21 VanDerWaalsContact O-N 3.08Å
18T36.5Very low36.5Very low80 Ų80105 Ų10549%0.49151%0.514SS..Hα-helixtrans-65.6-41.6174.1-52.10000111.6R14 F15 N16 L20 R21 Q22R14-T18 PolarHBondContact O-N 3.23Å; R14-T18 PolarHBondContact O-OG1 3.35Å; F15-T18 PolarHBondContact O-N 3.05Å; N16-T18 VanDerWaalsContact C-N 3.34Å; T18-L20 VanDerWaalsContact C-N 3.34Å; T18-L20 PolarHBondContact O-N 3.43Å; T18-R21 PolarHBondContact O-N 3.29Å; T18-R21 VanDerWaalsContact O-N 3.09Å; T18-Q22 PolarHBondContact O-N 3.02Å
19I33.4Very low35.5Very low70 Ų70111.1 Ų111.136%0.35955%0.546SS..Hα-helixtrans-59.7-44.7175.3-61.2172.6000110.4N16 R21 Q22 A23N16-I19 PolarHBondContact O-N 2.92Å; I19-R21 VanDerWaalsContact C-N 3.31Å; I19-R21 PolarHBondContact O-N 2.69Å; I19-Q22 PolarHBondContact O-N 3.4Å; I19-A23 WeakPolarHBondContact O-CB 3.39Å; I19-A23 PolarHBondContact O-N 3.16Å
20L29.7Very low34.8Very low122 Ų122113.9 Ų113.964%0.63956%0.563SS**Hα-helixtrans-62.8-33.6174.9-85.3165000113.1N16 G17 T18 S24N16-L20 PolarHBondContact O-N 3.03Å; N16-L20 VanDerWaalsContact O-N 3.09Å; G17-L20 PolarHBondContact O-N 3.49Å; T18-L20 VanDerWaalsContact C-N 3.34Å; T18-L20 PolarHBondContact O-N 3.43Å; L20-S24 VanDerWaalsContact O-CB 3.25Å; L20-S24 WeakPolarHBondContact O-CB 3.18Å; L20-S24 PolarHBondContact O-N 2.94Å; L20-S24 PolarHBondContact O-OG 3.24Å
21R32Very low33.7Very low204 Ų204119.2 Ų119.277%0.7759%0.588SS**Hα-helixtrans-71.8-39.8175.1-78-173.3171.3-164.9-3.5112.9G17 T18 I19 S24 S25G17-R21 PolarHBondContact O-N 2.95Å; G17-R21 VanDerWaalsContact O-N 3.08Å; T18-R21 PolarHBondContact O-N 3.29Å; T18-R21 VanDerWaalsContact O-N 3.09Å; I19-R21 VanDerWaalsContact C-N 3.31Å; I19-R21 PolarHBondContact O-N 2.69Å; R21-S24 PolarHBondContact O-N 3.21Å; R21-S25 PolarHBondContact O-N 3.39Å
22Q30.8Very low32.9Very low111 Ų111126.7 Ų126.752%0.51962%0.621SS.*Hα-helixtrans-71.1-32.4175.1-73.6-178.9-61.400112.3T18 I19 S25T18-Q22 PolarHBondContact O-N 3.02Å; I19-Q22 PolarHBondContact O-N 3.4Å; Q22-S25 PolarHBondContact O-OG 2.91Å
23A31.5Very low32Very low66 Ų66132.3 Ų132.355%0.54565%0.646SS.*Hα-helixtrans-74.1-29.9173.700000113.6I19I19-A23 WeakPolarHBondContact O-CB 3.39Å; I19-A23 PolarHBondContact O-N 3.16Å
24S29.3Very low31.2Very low69 Ų69129.5 Ų129.548%0.48365%0.651SS.*Hα-helixtrans-91.3-4.8-177.357.30000115.5L20 R21 F26L20-S24 VanDerWaalsContact O-CB 3.25Å; L20-S24 WeakPolarHBondContact O-CB 3.18Å; L20-S24 PolarHBondContact O-N 2.94Å; L20-S24 PolarHBondContact O-OG 3.24Å; R21-S24 PolarHBondContact O-N 3.21Å; S24-F26 PolarHBondContact O-N 3.43Å
25S28.7Very low30.3Very low90 Ų90126.7 Ų126.763%0.62966%0.656SS**THydrogen-bonded Turntrans-65.4-18.9166.863.40000112.9R21 Q22 R27R21-S25 PolarHBondContact O-N 3.39Å; Q22-S25 PolarHBondContact O-OG 2.91Å; S25-R27 PolarHBondContact O-N 3.04Å
26F27.6Very low29.5Very low153 Ų153128.9 Ų128.967%0.67169%0.685SS**  trans-75.166.1167.6-77.9-80.4000112.3S24S24-F26 PolarHBondContact O-N 3.43Å
27R27Very low29.1Very low211 Ų211128.6 Ų128.680%0.79670%0.702SS**SBendtrans-133.9108.1164.6-77.8-169.5169.6-162.3-2.8111.1S25 L29S25-R27 PolarHBondContact O-N 3.04Å; R27-L29 PolarHBondContact O-N 2.91Å
28H27.3Very low28.7Very low186 Ų186133.5 Ų133.586%0.86173%0.726SS**  trans25.887.3163.5-61.9-75.2000117.4P30H28-P30 WeakPolarHBondContact O-CD 3.37Å
29L25.3Very low28.3Very low173 Ų173135.4 Ų135.491%0.90674%0.743SS**  trans-71.4118.5141.2-85.5165.4000107.6R27R27-L29 PolarHBondContact O-N 2.91Å
30P26.9Very low28.2Very low108 Ų108135.9 Ų135.970%0.70177%0.765SS**  trans-75.8128.8175.830.3-32.3000110.3H28 K32H28-P30 WeakPolarHBondContact O-CD 3.37Å; P30-K32 VanDerWaalsContact C-N 3.26Å; P30-K32 PolarHBondContact O-N 3.41Å
31L26.8Very low28.2Very low183 Ų183136 Ų13696%0.95877%0.771SS**SBendtrans-69.382.4166.8-85.7157.8000109.6
32K26.3Very low28.1Very low185 Ų185132.8 Ų132.880%0.80477%0.774SS**  trans-163.873.1175.7-119.2177.5-172.5-175.70113.6P30P30-K32 VanDerWaalsContact C-N 3.26Å; P30-K32 PolarHBondContact O-N 3.41Å
33E27.2Very low28.2Very low186 Ų186132.3 Ų132.387%0.86978%0.783SS**  trans-172.7179.6151.9-107.6156.3-145.200109
34V28.3Very low28.2Very low148 Ų148133.7 Ų133.790%0.89779%0.789SS**SBendtrans7125.7-177.5-155.70000115.4
35V26.6Very low28.4Very low140 Ų140136.2 Ų136.285%0.84880%0.802SS**SBendtrans-140.8141.3149.6-1740000109.2
36A26.7Very low28.7Very low105 Ų105138.3 Ų138.387%0.86881%0.806SS**  trans72.4134179.500000116.7
37G27.5Very low29Very low81 Ų81136.2 Ų136.284%0.83581%0.805SS**  trans171.549.3-175.100000112.7
38V27.4Very low29.4Very low132 Ų132131.4 Ų131.480%0.880%0.804SS**  trans-94.3136-176.4175.20000111
39S27.6Very low29.8Very low120 Ų120132.4 Ų132.484%0.83981%0.806SS**  trans66.3128.9168.366.70000118.2
40G31.7Very low30Very low80 Ų80129.5 Ų129.583%0.82580%0.8SS**  trans179.2109.3174.200000109.8
41T30.4Very low30.5Very low126 Ų126129.7 Ų129.777%0.77380%0.801SS**  trans-97.1144.3-16445.80000114.6
42T29.9Very low31.1Very low135 Ų135127.1 Ų127.183%0.82879%0.794SS**  trans65.5147.2150.949.60000118.3
43S32.5Very low31.5Very low102 Ų102126.2 Ų126.271%0.71380%0.798SS**  cis-153.4167.29.445.50000113.4
44S32.1Very low32Very low95 Ų95121.5 Ų121.566%0.66479%0.791SS**  trans10.8138.3149.158.50000119.7
45T33.2Very low32.7Very low122 Ų122119.8 Ų119.875%0.74878%0.783SS**  cis-176.2-175.61318.60000106.6
46N34.9Very low33.7Very low133 Ų133118.5 Ų118.571%0.71178%0.777SS**  cis-168.2164.84.1-120.85.4000106.4
47T33.4Very low34.5Very low109 Ų109119.1 Ų119.167%0.66977%0.772SS**  cis-164.8167.5-14.210000109
48S35.1Very low35.1Very low110 Ų110120.3 Ų120.377%0.76977%0.765SS**  trans72.7142.8168.781.90000116.6
49K36.2Very low35.9Very low207 Ų207119.9 Ų119.990%0.977%0.765SS**  cis-146.7152.1-0.3-123.2161.1-171.6178.50108.9
50S29.4Very low36.5Very low112 Ų112120.6 Ų120.678%0.78376%0.764SS**  trans-108.2167.1-174.254.20000113.8
51P37.9Very low36.7Very low112 Ų112125 Ų12573%0.72776%0.763SS**  trans-118.9127.8144.434.7-26000112.7
52T38.5Very low37.2Very low130 Ų130122.6 Ų122.680%0.79875%0.75SS**  trans40.2116.4146.956.30000121A54T52-A54 PolarHBondContact O-N 3.05Å
53N35.5Very low37.9Very low165 Ų165121 Ų12188%0.88274%0.74SS**PPolyproline II helixtrans-60.3130.1156.6-65.8-19.4000110.7
54A37.9Very low39.2Very low88 Ų88122.1 Ų122.173%0.72775%0.748SS**PPolyproline II helixtrans-81.3143.7155.900000109.3T52T52-A54 PolarHBondContact O-N 3.05Å
55P42.4Very low41.4Very low112 Ų112124.5 Ų124.573%0.72775%0.748SS**PPolyproline II helixtrans-66.4157.8168.230.8-34.8000110.2
56P47.1Very low43.9Very low112 Ų112121.3 Ų121.373%0.72773%0.725SS**PPolyproline II helixtrans-58148.4167.227.9-34.9000109.8
57P43.6Very low46.6Very low118 Ų118116.4 Ų116.477%0.76670%0.699SS**PPolyproline II helixtrans-57.7142.2174.225.9-34000109.6
58P40.5Very low49.4Very low107 Ų107115.9 Ų115.970%0.69569%0.689SS**PPolyproline II helixtrans-60.3150.4175.727.8-34.8000109.8V60P58-V60 PolarHBondContact O-N 2.84Å; P58-V60 VanDerWaalsContact O-N 3.12Å
59P43.8Very low52.2Low122 Ų122110.7 Ų110.779%0.79265%0.652SS**PPolyproline II helixtrans-56.8123.2172.625.4-33.5000108.6Q61P59-Q61 PolarHBondContact O-N 3.21Å
60V41.4Very low55.1Low135 Ų135104 Ų10482%0.81863%0.626SS**  trans-58.6116176.6178.20000107.1P58P58-V60 PolarHBondContact O-N 2.84Å; P58-V60 VanDerWaalsContact O-N 3.12Å
61Q35.7Very low58.2Low173 Ų17398.7 Ų98.781%0.80859%0.589SS**PPolyproline II helixtrans-61.3128172.4-71.1-174.2-12.300107.4P59 T63P59-Q61 PolarHBondContact O-N 3.21Å; Q61-T63 PolarHBondContact O-N 3.09Å
62P39.7Very low60.9Low76 Ų7696.7 Ų96.749%0.49457%0.572SS.*PPolyproline II helixtrans-58131178.222.6-32000108.9Q66P62-Q66 HydrophobicContact CB-CB 3.9Å; P62-Q66 HydrophobicContact CB-CG 4.47Å
63T46.3Very low63.3Low102 Ų10293.3 Ų93.363%0.62656%0.563SS**PPolyproline II helixtrans-53.2144.1159.346.70000107.8Q61 E65 Q66Q61-T63 PolarHBondContact O-N 3.09Å; T63-E65 PolarHBondContact O-N 3.25Å; T63-Q66 PolarHBondContact O-N 3.47Å
64S59.1Low66Low124 Ų12491.3 Ų91.387%0.86755%0.546SS*.THydrogen-bonded Turntrans-61.1-0.6-154.443.90000117.3
65E78.5Confident68.7Low146 Ų14691.1 Ų91.168%0.68254%0.538SS*.THydrogen-bonded Turntrans-117.4-9.7-174.7-56.5-176.1168.500113.3T63 I67 P80T63-E65 PolarHBondContact O-N 3.25Å; E65-I67 PolarHBondContact O-N 3.19Å; E65-P80 HydrophobicContact CB-CG 4.1Å; E65-P80 WeakPolarHBondContact O-CG 3.18Å
66Q86.1Confident71.1Confident54 Ų5486.7 Ų86.725%0.25251%0.509SS..PPolyproline II helixtrans-63.2137.4-179.4-70-171.2-10.200112.6P62 T63P62-Q66 HydrophobicContact CB-CB 3.9Å; P62-Q66 HydrophobicContact CB-CG 4.47Å; T63-Q66 PolarHBondContact O-N 3.47Å
67I90.3Very high73.3Confident31 Ų3185.2 Ų85.216%0.15950%0.498CS..EExtended strand (participates in β ladder)trans-101.3123-176.2-57-175.2000109.1E65 V69 C78 P80 V131 R133E65-I67 PolarHBondContact O-N 3.19Å; I67-V69 HydrophobicContact CG2-CG1 4.29Å; I67-C78 PolarHBondContact N-O 3.45Å; I67-C78 PolarHBondContact O-N 2.8Å; I67-P80 HydrophobicContact CD1-CB 4.39Å; I67-V131 HydrophobicContact CB-CG2 4.46Å; I67-V131 HydrophobicContact CD1-CG2 4.35Å; I67-V131 HydrophobicContact CG2-CG2 4.3Å; I67-R133 HydrophobicContact CG2-CB 4.03Å
68E93.1Very high75.6Confident98 Ų9879.7 Ų79.746%0.45846%0.462SS..EExtended strand (participates in β ladder)trans-87.9129.9171.9-172.5179.5-167.500110.9G134E68-G134 PolarHBondContact O-N 2.88Å
69V94.3Very high78Confident1 Ų180.6 Ų80.61%0.00646%0.457CS..EExtended strand (participates in β ladder)trans-131159.5172.8-65.60000111.1I67 V71 P75 V76 A87 V131 V132 M135 I137I67-V69 HydrophobicContact CG2-CG1 4.29Å; V69-V71 HydrophobicContact CG2-CG2 4.48Å; V69-P75 CarbonylContact O-C 2.99Å; V69-P75 WeakPolarHBondContact O-CA 3.43Å; V69-V76 HydrophobicContact CG2-CB 4.28Å; V69-V76 PolarHBondContact N-O 3.2Å; V69-V76 PolarHBondContact O-N 3.38Å; V69-A87 HydrophobicContact CG2-CB 4.37Å; V69-V131 HydrophobicContact CG1-CB 3.9Å; V69-V131 HydrophobicContact CG1-CG1 4.19Å; V69-V132 WeakPolarHBondContact CG1-O 3.37Å; V69-M135 WeakPolarHBondContact CA-O 3.38Å; V69-M135 HydrophobicContact CG1-CB 4.04Å; V69-I137 HydrophobicContact CB-CD1 4.39Å; V69-I137 HydrophobicContact CG2-CD1 4.42Å
70L95.9Very high80.2Confident65 Ų6578.2 Ų78.234%0.3444%0.442SS..EExtended strand (participates in β ladder)trans-104.7121.6173.4-65.4166.3000109.5K74 P75 M135 S136 I137L70-K74 CarbonylContact C-O 3.58Å; L70-K74 WeakPolarHBondContact CA-O 3.3Å; L70-P75 HydrophobicContact CD2-CB 4.19Å; L70-M135 PolarHBondContact N-O 2.83Å; L70-S136 WeakPolarHBondContact O-CA 3.39Å; L70-I137 PolarHBondContact O-N 2.92Å
71V95.1Very high82.5Confident1 Ų174.6 Ų74.61%0.00643%0.432CS..EExtended strand (participates in β ladder)trans-110.7111.7171.2-175.30000108.6V69 G73 K74 V76 C88 A91 V93 I137 T139V69-V71 HydrophobicContact CG2-CG2 4.48Å; V71-G73 PolarHBondContact O-N 2.87Å; V71-G73 VanDerWaalsContact O-N 3.15Å; V71-K74 PolarHBondContact N-O 3.47Å; V71-K74 WeakPolarHBondContact O-CB 3.4Å; V71-K74 PolarHBondContact O-N 3.17Å; V71-V76 HydrophobicContact CB-CG2 4.34Å; V71-V76 HydrophobicContact CG2-CG2 4.08Å; V71-C88 HydrophobicContact CG1-CB 4.4Å; V71-A91 HydrophobicContact CB-CB 3.75Å; V71-A91 HydrophobicContact CG1-CB 3.74Å; V71-A91 HydrophobicContact CG2-CB 4.06Å; V71-V93 HydrophobicContact CG1-CG2 4.37Å; V71-I137 HydrophobicContact CG2-CD1 4.03Å; V71-T139 HydrophobicContact CG1-CG2 4.12Å
72D93.4Very high85.3Confident70 Ų7067.9 Ų67.937%0.37440%0.401SS..THydrogen-bonded Turntrans49.339-175.1-59.7-62.4000112.9K74 I137 K138 T139D72-K74 VanDerWaalsContact C-N 3.35Å; D72-K74 PolarHBondContact O-N 2.86Å; D72-I137 PolarHBondContact N-O 2.86Å; D72-K138 WeakPolarHBondContact OD1-CA 3.48Å; D72-T139 PolarHBondContact OD1-N 3.19Å; D72-T139 WeakPolarHBondContact OD2-CB 3.47Å; D72-T139 VanDerWaalsContact OD2-CG2 3.27Å; D72-T139 WeakPolarHBondContact OD2-CG2 3.29Å; D72-T139 PolarHBondContact OD2-OG1 2.81Å
73G90.5Very high87.9Confident60 Ų6064.7 Ų64.762%0.61938%0.38SS*.THydrogen-bonded Turntrans84.3-6.8-178.700000115.8V71V71-G73 PolarHBondContact O-N 2.87Å; V71-G73 VanDerWaalsContact O-N 3.15Å
74K92.2Very high90.3Very high122 Ų12259.8 Ų59.853%0.5335%0.35SS..EExtended strand (participates in β ladder)trans-85.7128.7174.2-57.4174.5-174.9170.90110.4L70 V71 D72L70-K74 CarbonylContact C-O 3.58Å; L70-K74 WeakPolarHBondContact CA-O 3.3Å; V71-K74 PolarHBondContact N-O 3.47Å; V71-K74 WeakPolarHBondContact O-CB 3.4Å; V71-K74 PolarHBondContact O-N 3.17Å; D72-K74 VanDerWaalsContact C-N 3.35Å; D72-K74 PolarHBondContact O-N 2.86Å
75P93.7Very high92Very high85 Ų8554.3 Ų54.355%0.55231%0.31SS*.EExtended strand (participates in β ladder)trans-69.7137.2170.629.6-33.5000110.6V69 L70V69-P75 CarbonylContact O-C 2.99Å; V69-P75 WeakPolarHBondContact O-CA 3.43Å; L70-P75 HydrophobicContact CD2-CB 4.19Å
76V93.5Very high92.8Very high18 Ų1850.7 Ų50.711%0.10929%0.294CS..EExtended strand (participates in β ladder)trans-135.5129.9177.6-173.70000108.1V69 V71 L90 A91V69-V76 HydrophobicContact CG2-CB 4.28Å; V69-V76 PolarHBondContact N-O 3.2Å; V69-V76 PolarHBondContact O-N 3.38Å; V71-V76 HydrophobicContact CB-CG2 4.34Å; V71-V76 HydrophobicContact CG2-CG2 4.08Å; V76-L90 HydrophobicContact CG1-CB 3.92Å; V76-L90 HydrophobicContact CG1-CD1 4.48Å; V76-A91 HydrophobicContact CG2-CB 3.89Å
77T93.1Very high93.2Very high82 Ų8248.1 Ų48.150%0.50328%0.282SS..EExtended strand (participates in β ladder)trans-84.9132168.944.90000109.6
78C91.1Very high93.5Very high2 Ų246.7 Ų46.71%0.01427%0.274CS..EExtended strand (participates in β ladder)trans-132.6155.8-179-63.40000110.2I67 M82 A87 V131I67-C78 PolarHBondContact N-O 3.45Å; I67-C78 PolarHBondContact O-N 2.8Å; C78-M82 HydrophobicContact CB-SD 3.92Å; C78-A87 VanDerWaalsContact SG-CB 3.51Å; C78-V131 HydrophobicContact CB-CG2 4.1Å
79E91.9Very high93.5Very high125 Ų12545 Ų4558%0.58428%0.277SS*.  trans-79.4152.3174.2-61.5178.3159.500110.7G81 M82E79-G81 PolarHBondContact O-N 3.48Å; E79-M82 HydrophobicContact CB-CG 3.98Å; E79-M82 HydrophobicContact CB-SD 3.93Å; E79-M82 HydrophobicContact CG-SD 4.37Å; E79-M82 PolarHBondContact N-SD 3.28Å; E79-M82 WeakPolarHBondContact O-CB 3.27Å; E79-M82 WeakPolarHBondContact O-CG 3.27Å; E79-M82 PolarHBondContact O-N 3.39Å
80P90.4Very high93.5Very high73 Ų7349.8 Ų49.847%0.47430%0.302SS..THydrogen-bonded Turntrans-51.7137.2171.7-27.635.9000112.7E65 I67 M82E65-P80 HydrophobicContact CB-CG 4.1Å; E65-P80 WeakPolarHBondContact O-CG 3.18Å; I67-P80 HydrophobicContact CD1-CB 4.39Å; P80-M82 VanDerWaalsContact C-N 3.27Å; P80-M82 PolarHBondContact O-N 3.04Å
81G89.3Confident93.4Very high59 Ų5947.6 Ų47.661%0.60829%0.293SS*.THydrogen-bonded Turntrans81.7-11.5177.700000115.9E79 T83E79-G81 PolarHBondContact O-N 3.48Å; G81-T83 PolarHBondContact O-N 2.94Å
82M93Very high93.3Very high32 Ų3250.9 Ų50.916%0.15833%0.328CS..  trans-55.1139.9173.7-69.6-171.278.300111.6C78 E79 P80 Q86 L90 P130 V131C78-M82 HydrophobicContact CB-SD 3.92Å; E79-M82 HydrophobicContact CB-CG 3.98Å; E79-M82 HydrophobicContact CB-SD 3.93Å; E79-M82 HydrophobicContact CG-SD 4.37Å; E79-M82 PolarHBondContact N-SD 3.28Å; E79-M82 WeakPolarHBondContact O-CB 3.27Å; E79-M82 WeakPolarHBondContact O-CG 3.27Å; E79-M82 PolarHBondContact O-N 3.39Å; P80-M82 VanDerWaalsContact C-N 3.27Å; P80-M82 PolarHBondContact O-N 3.04Å; M82-Q86 HydrophobicContact CE-CB 3.63Å; M82-L90 HydrophobicContact CE-CD1 3.7Å; M82-L90 HydrophobicContact CE-CG 4.25Å; M82-L90 HydrophobicContact SD-CD1 4.08Å; M82-P130 CarbonylContact O-C 3.57Å; M82-P130 WeakPolarHBondContact O-CA 3.44Å; M82-V131 HydrophobicContact CB-CG2 4.32Å; M82-V131 WeakPolarHBondContact O-CG2 3.47Å; M82-V131 PolarHBondContact O-N 3.26Å
83T95.5Very high93.3Very high8 Ų849.2 Ų49.25%0.04932%0.32CS..BIsolated β-bridgetrans-74.8154.9174.365.30000111.4G81 L85 Q86 A87 I106 S126 M129G81-T83 PolarHBondContact O-N 2.94Å; T83-L85 PolarHBondContact O-N 2.8Å; T83-L85 VanDerWaalsContact O-N 3.16Å; T83-Q86 PolarHBondContact O-N 3.28Å; T83-Q86 WeakPolarHBondContact OG1-CG 3.4Å; T83-Q86 PolarHBondContact OG1-N 2.85Å; T83-Q86 PolarHBondContact OG1-OE1 2.88Å; T83-A87 PolarHBondContact O-N 2.93Å; T83-I106 HydrophobicContact CG2-CD1 3.85Å; T83-S126 WeakPolarHBondContact CB-O 3.4Å; T83-M129 WeakPolarHBondContact CA-O 3.48Å
84I96Very high93.5Very high0 Ų054.3 Ų54.30%033%0.327CS..Hα-helixtrans-54.3-33.6171.6-64.5174.1000111A87 C88 V115 V117 V124 S126 M129 V131 M135 I137I84-A87 PolarHBondContact O-N 3.37Å; I84-C88 WeakPolarHBondContact O-CB 3.48Å; I84-C88 PolarHBondContact O-N 3.24Å; I84-C88 PolarHBondContact O-SG 3.27Å; I84-V115 HydrophobicContact CG2-CG2 4.12Å; I84-V117 HydrophobicContact CD1-CG2 3.89Å; I84-V124 HydrophobicContact CD1-CG2 3.85Å; I84-S126 PolarHBondContact N-O 3.48Å; I84-M129 HydrophobicContact CD1-CB 3.76Å; I84-M129 HydrophobicContact CD1-CG 3.62Å; I84-M129 HydrophobicContact CG1-CB 4.33Å; I84-M129 HydrophobicContact CG1-CG 4.36Å; I84-M129 PolarHBondContact N-O 3.04Å; I84-V131 HydrophobicContact CG1-CG1 4.36Å; I84-M135 HydrophobicContact CD1-CE 4.23Å; I84-M135 HydrophobicContact CD1-SD 3.45Å; I84-M135 WeakPolarHBondContact CD1-SD 3.49Å; I84-M135 HydrophobicContact CG1-SD 3.77Å; I84-I137 HydrophobicContact CG1-CD1 4.39Å; I84-I137 HydrophobicContact CG2-CD1 3.87Å; I84-I137 HydrophobicContact CG2-CG1 3.96Å; I84-I137 HydrophobicContact CG2-CG2 3.77Å
85L95.7Very high93.6Very high8 Ų848.8 Ų48.84%0.04230%0.304CS..Hα-helixtrans-62.4-44.8177-169.3154.7000111.8T83 C88 A89 Y100 C113 S126 C127T83-L85 PolarHBondContact O-N 2.8Å; T83-L85 VanDerWaalsContact O-N 3.16Å; L85-C88 PolarHBondContact O-N 3.2Å; L85-A89 PolarHBondContact O-N 2.93Å; L85-Y100 HydrophobicContact CD1-CD1 3.88Å; L85-Y100 HydrophobicContact CD1-CE1 4.21Å; L85-Y100 HydrophobicContact CD1-CG 4.04Å; L85-Y100 HydrophobicContact CD2-CD1 4.08Å; L85-Y100 HydrophobicContact CD2-CE1 3.62Å; L85-C113 HydrophobicContact CD1-CB 4.45Å; L85-S126 PolarHBondContact N-O 3.47Å; L85-C127 HydrophobicContact CB-CB 4.48Å; L85-C127 HydrophobicContact CD1-CB 3.69Å
86Q94.5Very high93.8Very high71 Ų7145.1 Ų45.133%0.33228%0.28SS..Hα-helixtrans-70.2-38.3177.4-66.5157-59.500111.5M82 T83 C88 A89 L90M82-Q86 HydrophobicContact CE-CB 3.63Å; T83-Q86 PolarHBondContact O-N 3.28Å; T83-Q86 WeakPolarHBondContact OG1-CG 3.4Å; T83-Q86 PolarHBondContact OG1-N 2.85Å; T83-Q86 PolarHBondContact OG1-OE1 2.88Å; Q86-C88 PolarHBondContact O-N 3.1Å; Q86-A89 WeakPolarHBondContact O-CB 3.44Å; Q86-A89 PolarHBondContact O-N 3.16Å; Q86-A89 VanDerWaalsContact O-N 3.14Å; Q86-L90 PolarHBondContact O-N 3.44Å
87A94.9Very high93.9Very high0 Ų046.9 Ų46.90%029%0.285CS..Hα-helixtrans-62.7-39.617400000112.7V69 C78 T83 I84 L90 A91 V131V69-A87 HydrophobicContact CG2-CB 4.37Å; C78-A87 VanDerWaalsContact SG-CB 3.51Å; T83-A87 PolarHBondContact O-N 2.93Å; I84-A87 PolarHBondContact O-N 3.37Å; A87-L90 PolarHBondContact O-N 3.28Å; A87-A91 PolarHBondContact O-N 2.82Å; A87-A91 VanDerWaalsContact O-N 3.12Å; A87-V131 HydrophobicContact CB-CG1 3.61Å
88C95.7Very high94.1Very high0 Ų043 Ų430%026%0.261CS..Hα-helixtrans-67.1-35.6171.5-69.90000112.2V71 I84 L85 Q86 A91 G92 V93 I95V71-C88 HydrophobicContact CG1-CB 4.4Å; I84-C88 WeakPolarHBondContact O-CB 3.48Å; I84-C88 PolarHBondContact O-N 3.24Å; I84-C88 PolarHBondContact O-SG 3.27Å; L85-C88 PolarHBondContact O-N 3.2Å; Q86-C88 PolarHBondContact O-N 3.1Å; C88-A91 CarbonylContact O-C 3.55Å; C88-A91 WeakPolarHBondContact O-CA 3.29Å; C88-A91 VanDerWaalsContact O-CB 3.31Å; C88-A91 WeakPolarHBondContact O-CB 3.39Å; C88-A91 PolarHBondContact O-N 3.49Å; C88-A91 VanDerWaalsContact O-N 3.09Å; C88-G92 PolarHBondContact O-N 3.19Å; C88-V93 CarbonylContact C-O 3.54Å; C88-V93 VanDerWaalsContact C-O 3.28Å; C88-V93 HydrophobicContact CB-CB 4.28Å; C88-V93 WeakPolarHBondContact O-CA 3.45Å; C88-V93 WeakPolarHBondContact O-CB 3.36Å; C88-V93 PolarHBondContact O-N 3.13Å; C88-I95 HydrophobicContact CB-CD1 3.71Å; C88-I95 HydrophobicContact CB-CG1 4.15Å
89A94.5Very high94.3Very high62 Ų6243 Ų4351%0.51226%0.26SS..Hα-helixtrans-62.7-42173.300000112.1L85 Q86 A91 G92L85-A89 PolarHBondContact O-N 2.93Å; Q86-A89 WeakPolarHBondContact O-CB 3.44Å; Q86-A89 PolarHBondContact O-N 3.16Å; Q86-A89 VanDerWaalsContact O-N 3.14Å; A89-A91 PolarHBondContact O-N 3.04Å; A89-G92 PolarHBondContact O-N 3.48Å
90L93.5Very high94.6Very high103 Ų10337.5 Ų37.554%0.53923%0.234SC..Hα-helixtrans-59.6-32.9170.6-68.9179.6000112.6V76 M82 Q86 A87 G92V76-L90 HydrophobicContact CG1-CB 3.92Å; V76-L90 HydrophobicContact CG1-CD1 4.48Å; M82-L90 HydrophobicContact CE-CD1 3.7Å; M82-L90 HydrophobicContact CE-CG 4.25Å; M82-L90 HydrophobicContact SD-CD1 4.08Å; Q86-L90 PolarHBondContact O-N 3.44Å; A87-L90 PolarHBondContact O-N 3.28Å; L90-G92 PolarHBondContact O-N 3.23Å
91A93.5Very high94.8Very high18 Ų1835.2 Ų35.215%0.14922%0.217CC..THydrogen-bonded Turntrans-73.9-3.5174.100000114.4V71 V76 A87 C88 A89 V93V71-A91 HydrophobicContact CB-CB 3.75Å; V71-A91 HydrophobicContact CG1-CB 3.74Å; V71-A91 HydrophobicContact CG2-CB 4.06Å; V76-A91 HydrophobicContact CG2-CB 3.89Å; A87-A91 PolarHBondContact O-N 2.82Å; A87-A91 VanDerWaalsContact O-N 3.12Å; C88-A91 CarbonylContact O-C 3.55Å; C88-A91 WeakPolarHBondContact O-CA 3.29Å; C88-A91 VanDerWaalsContact O-CB 3.31Å; C88-A91 WeakPolarHBondContact O-CB 3.39Å; C88-A91 PolarHBondContact O-N 3.49Å; C88-A91 VanDerWaalsContact O-N 3.09Å; A89-A91 PolarHBondContact O-N 3.04Å; A91-V93 HydrophobicContact CB-CG2 4.22Å
92G93.4Very high94.9Very high71 Ų7137.2 Ų37.273%0.73221%0.211SC*.THydrogen-bonded Turntrans77.817.6-171.900000114.4C88 A89 L90C88-G92 PolarHBondContact O-N 3.19Å; A89-G92 PolarHBondContact O-N 3.48Å; L90-G92 PolarHBondContact O-N 3.23Å
93V93.8Very high94.9Very high35 Ų3538.7 Ų38.721%0.21222%0.215CC..  trans-111.3105-174.3-177.20000111.1V71 C88 A91 I95 T139V71-V93 HydrophobicContact CG1-CG2 4.37Å; C88-V93 CarbonylContact C-O 3.54Å; C88-V93 VanDerWaalsContact C-O 3.28Å; C88-V93 HydrophobicContact CB-CB 4.28Å; C88-V93 WeakPolarHBondContact O-CA 3.45Å; C88-V93 WeakPolarHBondContact O-CB 3.36Å; C88-V93 PolarHBondContact O-N 3.13Å; A91-V93 HydrophobicContact CB-CG2 4.22Å; V93-I95 PolarHBondContact O-N 3.01Å; V93-T139 HydrophobicContact CG1-CG2 3.94Å; V93-T139 WeakPolarHBondContact CG1-OG1 3.16Å
94Q93.7Very high94.9Very high166 Ų16638.9 Ų38.978%0.77622%0.216SC*.  trans-81.9110.1179.7-166.8-179.624.500111.7
95I95.9Very high94.8Very high7 Ų741.7 Ų41.74%0.03624%0.235CC..  trans-83.5133.2176.5-64.1175.5000110.6C88 V93 C113 V115 S126 T139C88-I95 HydrophobicContact CB-CD1 3.71Å; C88-I95 HydrophobicContact CB-CG1 4.15Å; V93-I95 PolarHBondContact O-N 3.01Å; I95-C113 HydrophobicContact CG2-CB 3.74Å; I95-V115 HydrophobicContact CD1-CG1 3.77Å; I95-V115 HydrophobicContact CG1-CG1 4.47Å; I95-S126 WeakPolarHBondContact CD1-OG 3.33Å; I95-T139 HydrophobicContact CD1-CG2 4.48Å
96P96.5Very high94.8Very high8 Ų845.5 Ų45.55%0.05226%0.255CS..  trans-62139.9178.124.1-34.3000113M112 C113 R148 Q177 F181P96-M112 HydrophobicContact CB-CE 3.91Å; P96-M112 HydrophobicContact CB-CG 3.87Å; P96-M112 HydrophobicContact CG-CE 4.01Å; P96-M112 HydrophobicContact CG-CG 4.25Å; P96-M112 CarbonylContact O-C 3.53Å; P96-C113 WeakPolarHBondContact O-CA 3.49Å; P96-C113 PolarHBondContact O-N 2.69Å; P96-R148 HydrophobicContact CG-CG 4.32Å; P96-Q177 HydrophobicContact CB-CG 4.22Å; P96-Q177 VanDerWaalsContact CB-OE1 3.24Å; P96-F181 HydrophobicContact CB-CD2 3.68Å; P96-F181 HydrophobicContact CB-CE2 3.76Å; P96-F181 HydrophobicContact CB-CG 4.37Å; P96-F181 HydrophobicContact CB-CZ 4.5Å; P96-F181 HydrophobicContact CG-CD1 4.33Å; P96-F181 HydrophobicContact CG-CD2 3.77Å; P96-F181 HydrophobicContact CG-CE1 4.41Å; P96-F181 HydrophobicContact CG-CE2 3.87Å; P96-F181 HydrophobicContact CG-CG 4.01Å; P96-F181 HydrophobicContact CG-CZ 4.19Å
97R95.8Very high94.6Very high55 Ų5543.5 Ų43.521%0.20825%0.251CS..  trans-151.1134.6-165.368.2-161.1-159.51694.6112.7E102 Q177R97-E102 IonicContact CZ-OE1 2.76Å; R97-E102 IonicContact NH1-OE1 2.74Å; R97-E102 PolarHBondContact NH1-OE1 2.84Å; R97-E102 IonicContact NH2-OE1 3.63Å; R97-E102 PolarHBondContact NH2-OE1 3.25Å; R97-Q177 PolarHBondContact O-NE2 2.86Å
98F96.8Very high94.5Very high0 Ų044.1 Ų44.10%026%0.256CS..SBendtrans-124.8-34.3176-65.3-54.5000115.3C110 M112 M152 L155 D173 L174 Q177 I216 C218 R220 P266F98-C110 HydrophobicContact CB-CB 3.83Å; F98-M112 HydrophobicContact CD2-CB 3.63Å; F98-M112 HydrophobicContact CD2-CG 3.85Å; F98-M112 HydrophobicContact CE2-CB 3.93Å; F98-M112 HydrophobicContact CE2-CG 3.64Å; F98-M112 HydrophobicContact CE2-SD 3.96Å; F98-M152 HydrophobicContact CE2-CE 3.94Å; F98-M152 HydrophobicContact CZ-CE 3.71Å; F98-M152 HydrophobicContact CZ-SD 4.5Å; F98-L155 HydrophobicContact CD2-CD1 3.52Å; F98-L155 HydrophobicContact CE2-CD1 3.28Å; F98-L155 HydrophobicContact CZ-CD1 4.26Å; F98-D173 HydrophobicContact CD1-CB 4.04Å; F98-D173 HydrophobicContact CE1-CB 3.91Å; F98-L174 HydrophobicContact CE1-CB 4.18Å; F98-L174 HydrophobicContact CE1-CD1 4.21Å; F98-L174 HydrophobicContact CE2-CD1 4.27Å; F98-L174 HydrophobicContact CZ-CB 4.46Å; F98-L174 HydrophobicContact CZ-CD1 3.73Å; F98-Q177 HydrophobicContact CE1-CB 4.24Å; F98-Q177 HydrophobicContact CE1-CG 4.37Å; F98-Q177 HydrophobicContact CZ-CB 3.87Å; F98-Q177 HydrophobicContact CZ-CG 4.42Å; F98-I216 HydrophobicContact CB-CD1 3.79Å; F98-I216 HydrophobicContact CD1-CD1 3.91Å; F98-I216 HydrophobicContact CD2-CD1 4.29Å; F98-I216 HydrophobicContact CG-CD1 3.75Å; F98-C218 WeakPolarHBondContact O-CB 3.42Å; F98-R220 VanDerWaalsContact O-CZ 3.28Å; F98-R220 PolarHBondContact O-NE 3.28Å; F98-R220 VanDerWaalsContact O-NE 3.15Å; F98-P266 HydrophobicContact CD1-CB 3.93Å
99C96.6Very high94.2Very high1 Ų148.8 Ų48.81%0.00728%0.281CS..SBendtrans-95.8-34.8175.3710000112.3C110 C218 R220 R223C99-C110 HydrophobicContact CB-CB 3.95Å; C99-C110 PolarHBondContact N-SG 3.37Å; C99-C110 PolarHBondContact SG-SG 2.85Å; C99-C218 HydrophobicContact CB-CB 4.17Å; C99-C218 VanDerWaalsContact CB-O 3.27Å; C99-C218 WeakPolarHBondContact CB-O 3.48Å; C99-R220 WeakPolarHBondContact O-CG 3.48Å; C99-R223 PolarHBondContact O-NH1 2.95Å; C99-R223 PolarHBondContact O-NH2 2.89Å
100Y96.8Very high94.2Very high10 Ų1046.5 Ų46.54%0.03926%0.262CS..  trans-63.5142.6176.2-177.3-95000110.7L85 E102 I106 C127 R220L85-Y100 HydrophobicContact CD1-CD1 3.88Å; L85-Y100 HydrophobicContact CD1-CE1 4.21Å; L85-Y100 HydrophobicContact CD1-CG 4.04Å; L85-Y100 HydrophobicContact CD2-CD1 4.08Å; L85-Y100 HydrophobicContact CD2-CE1 3.62Å; Y100-E102 HydrophobicContact CE1-CG 3.59Å; Y100-I106 HydrophobicContact CE2-CG1 4.37Å; Y100-C127 HydrophobicContact CD2-CB 3.65Å; Y100-C127 HydrophobicContact CE2-CB 4.43Å; Y100-C127 HydrophobicContact CG-CB 3.93Å; Y100-R220 PolarHBondContact O-NE 3.18Å; Y100-R220 VanDerWaalsContact O-NE 3.15Å; Y100-R220 PolarHBondContact O-NH2 3.28Å
101H95.3Very high94.3Very high25 Ų2546.9 Ų46.912%0.11626%0.256CS..  trans-150.1142.1173-164-94.5000105.5R103 L104 L264 E323 W324H101-R103 VanDerWaalsContact C-N 3.3Å; H101-R103 PolarHBondContact O-N 3.46Å; H101-L104 HydrophobicContact CB-CB 4.14Å; H101-L104 HydrophobicContact CB-CD1 3.98Å; H101-L104 HydrophobicContact CB-CG 4.18Å; H101-L104 PolarHBondContact O-N 2.76Å; H101-L264 VanDerWaalsContact CD2-CD2 3.45Å; H101-L264 WeakPolarHBondContact CD2-CD2 3.49Å; H101-L264 WeakPolarHBondContact NE2-CD2 3.39Å; H101-E323 IonicContact CE1-OE2 3.17Å; H101-E323 PolarHBondContact CE1-OE2 3.27Å; H101-E323 IonicContact ND1-OE2 2.74Å; H101-E323 IonicContact NE2-OE2 2.92Å; H101-W324 AromaticContact CE1-CH2 3.87Å
102E92.2Very high94.5Very high102 Ų10246 Ų4648%0.47725%0.249SC..THydrogen-bonded Turntrans-73.2-28-169.4-71.7164.4-145.400112.2R97 Y100R97-E102 IonicContact CZ-OE1 2.76Å; R97-E102 IonicContact NH1-OE1 2.74Å; R97-E102 PolarHBondContact NH1-OE1 2.84Å; R97-E102 IonicContact NH2-OE1 3.63Å; R97-E102 PolarHBondContact NH2-OE1 3.25Å; Y100-E102 HydrophobicContact CE1-CG 3.59Å
103R92.5Very high94.6Very high62 Ų6242.8 Ų42.823%0.23422%0.215CC..THydrogen-bonded Turntrans-95.914.8177.5-54.2-66.9142.7145.62.2115.2H101 I228 E318 E322 W324H101-R103 VanDerWaalsContact C-N 3.3Å; H101-R103 PolarHBondContact O-N 3.46Å; R103-I228 WeakPolarHBondContact O-CD1 3.15Å; R103-E318 IonicContact CZ-OE1 3.93Å; R103-E318 IonicContact CZ-OE2 3.94Å; R103-E318 IonicContact NH1-OE1 2.7Å; R103-E318 IonicContact NH1-OE2 2.81Å; R103-E318 PolarHBondContact NH1-OE2 2.85Å; R103-E318 IonicContact NH2-OE1 3.03Å; R103-E318 PolarHBondContact NH2-OE1 3.46Å; R103-E318 IonicContact NH2-OE2 3.82Å; R103-E318 PolarHBondContact NH2-OE2 3.46Å; R103-E322 WeakPolarHBondContact CD-OE1 3.47Å; R103-E322 IonicContact CZ-OE1 3.15Å; R103-E322 IonicContact NH1-OE1 3.66Å; R103-E322 PolarHBondContact NH1-OE1 2.75Å; R103-W324 HydrophobicContact CB-CH2 4.24Å; R103-W324 HydrophobicContact CB-CZ2 3.49Å; R103-W324 VanDerWaalsContact CB-CZ2 3.49Å; R103-W324 HydrophobicContact CG-CZ2 4.14Å
104L94.7Very high94.8Very high13 Ų1342.2 Ų42.27%0.06821%0.211CC..SBendtrans-135154.9179.9-63.2174.7000111.8H101 R220 R223 F224 E227 I228 L264H101-L104 HydrophobicContact CB-CB 4.14Å; H101-L104 HydrophobicContact CB-CD1 3.98Å; H101-L104 HydrophobicContact CB-CG 4.18Å; H101-L104 PolarHBondContact O-N 2.76Å; L104-R220 HydrophobicContact CD1-CB 4.45Å; L104-R223 HydrophobicContact CD1-CB 4.47Å; L104-F224 HydrophobicContact CD1-CB 4.29Å; L104-F224 HydrophobicContact CD2-CB 4.03Å; L104-F224 HydrophobicContact CD2-CD2 4.37Å; L104-E227 WeakPolarHBondContact CA-OE2 3.47Å; L104-I228 HydrophobicContact CD2-CD1 3.75Å; L104-I228 HydrophobicContact CD2-CG1 4.21Å; L104-L264 HydrophobicContact CD1-CD1 4.37Å; L104-L264 HydrophobicContact CD1-CD2 3.96Å
105S94.5Very high95Very high58 Ų5834.3 Ų34.341%0.40617%0.174SC..  trans-56.8148.1-179.573.80000113.6A107 R223 E227S105-A107 PolarHBondContact O-N 2.64Å; S105-A107 VanDerWaalsContact O-N 3.15Å; S105-R223 WeakPolarHBondContact O-CD 3.2Å; S105-R223 PolarHBondContact O-NH1 3.31Å; S105-R223 WeakPolarHBondContact OG-CD 3.37Å; S105-E227 VanDerWaalsContact CB-OE1 3.24Å; S105-E227 WeakPolarHBondContact CB-OE1 3.36Å; S105-E227 PolarHBondContact N-OE2 2.92Å; S105-E227 PolarHBondContact OG-OE1 3.43Å
106I94.8Very high95Very high88 Ų8836 Ų3645%0.45118%0.182SC..  trans-76105.7-174.3-65167.3000110.9T83 Y100 C127 A128T83-I106 HydrophobicContact CG2-CD1 3.85Å; Y100-I106 HydrophobicContact CE2-CG1 4.37Å; I106-C127 WeakPolarHBondContact CG2-O 3.36Å; I106-A128 HydrophobicContact CG2-CB 3.54Å
107A91.8Very high95Very high30 Ų3036 Ų3625%0.24818%0.181CC..  trans-90.1-29.1-177.200000116S105 N109S105-A107 PolarHBondContact O-N 2.64Å; S105-A107 VanDerWaalsContact O-N 3.15Å; A107-N109 PolarHBondContact O-N 2.64Å; A107-N109 PolarHBondContact O-OD1 3.13Å
108G91.2Very high94.8Very high12 Ų1237.6 Ų37.612%0.12419%0.191CC..  trans65.6-9.8-177.300000117.8C110 R111G108-C110 PolarHBondContact O-N 3.13Å; G108-R111 VanDerWaalsContact O-CD 3.32Å; G108-R111 WeakPolarHBondContact O-CD 3.27Å
109N91.3Very high94.4Very high98 Ų9847.9 Ų47.952%0.52424%0.236SC..THydrogen-bonded Turntrans-55.2-35.6-168.3-72.8-23.1000116.6A107 T219A107-N109 PolarHBondContact O-N 2.64Å; A107-N109 PolarHBondContact O-OD1 3.13Å; N109-T219 PolarHBondContact ND2-OG1 2.94Å
110C94.2Very high94.1Very high15 Ų1550.3 Ų50.310%0.10125%0.253CS..THydrogen-bonded Turntrans-84.2-18.8-170.873.90000116F98 C99 G108 M112 V151F98-C110 HydrophobicContact CB-CB 3.83Å; C99-C110 HydrophobicContact CB-CB 3.95Å; C99-C110 PolarHBondContact N-SG 3.37Å; C99-C110 PolarHBondContact SG-SG 2.85Å; G108-C110 PolarHBondContact O-N 3.13Å; C110-M112 PolarHBondContact O-N 3.26Å; C110-V151 VanDerWaalsContact O-CG1 3.32Å; C110-V151 WeakPolarHBondContact O-CG1 3.46Å
111R95.9Very high93.9Very high111 Ų11158.8 Ų58.842%0.41930%0.298SS..  trans51.97.1-174.4-48.5-53.8-65-172-1.1117.9G108 C113 L114 V151G108-R111 VanDerWaalsContact O-CD 3.32Å; G108-R111 WeakPolarHBondContact O-CD 3.27Å; R111-C113 PolarHBondContact O-N 3.02Å; R111-L114 HydrophobicContact CB-CD1 4.32Å; R111-L114 HydrophobicContact CB-CG 4.44Å; R111-L114 VanDerWaalsContact O-CG 3.22Å; R111-L114 WeakPolarHBondContact O-CG 3.46Å; R111-L114 PolarHBondContact O-N 3.18Å; R111-V151 HydrophobicContact CB-CG2 4.08Å
112M96.7Very high93.9Very high0 Ų065.3 Ų65.30%033%0.326CS..THydrogen-bonded Turntrans-63.4-30.6179.9-171.163.2-173.800113.5P96 F98 C110 L114 R148 V151 M152 F181P96-M112 HydrophobicContact CB-CE 3.91Å; P96-M112 HydrophobicContact CB-CG 3.87Å; P96-M112 HydrophobicContact CG-CE 4.01Å; P96-M112 HydrophobicContact CG-CG 4.25Å; P96-M112 CarbonylContact O-C 3.53Å; F98-M112 HydrophobicContact CD2-CB 3.63Å; F98-M112 HydrophobicContact CD2-CG 3.85Å; F98-M112 HydrophobicContact CE2-CB 3.93Å; F98-M112 HydrophobicContact CE2-CG 3.64Å; F98-M112 HydrophobicContact CE2-SD 3.96Å; C110-M112 PolarHBondContact O-N 3.26Å; M112-L114 PolarHBondContact O-N 3.35Å; M112-L114 VanDerWaalsContact O-N 3.07Å; M112-R148 HydrophobicContact CE-CB 3.97Å; M112-R148 HydrophobicContact CE-CG 4.3Å; M112-R148 HydrophobicContact SD-CB 4.48Å; M112-V151 HydrophobicContact CB-CG1 4.17Å; M112-V151 HydrophobicContact SD-CB 4.3Å; M112-V151 HydrophobicContact SD-CG1 3.98Å; M112-M152 HydrophobicContact CE-CE 3.53Å; M112-M152 HydrophobicContact SD-CE 4.06Å; M112-F181 HydrophobicContact CE-CB 3.73Å; M112-F181 HydrophobicContact CE-CG 4.47Å
113C96.6Very high94Very high2 Ų262 Ų621%0.01431%0.313CS..THydrogen-bonded Turntrans-80.228.1179.162.70000114.2L85 I95 P96 R111 S126 C127L85-C113 HydrophobicContact CD1-CB 4.45Å; I95-C113 HydrophobicContact CG2-CB 3.74Å; P96-C113 WeakPolarHBondContact O-CA 3.49Å; P96-C113 PolarHBondContact O-N 2.69Å; R111-C113 PolarHBondContact O-N 3.02Å; C113-S126 PolarHBondContact O-N 3.3Å; C113-S126 PolarHBondContact O-OG 3.34Å; C113-C127 PolarHBondContact SG-SG 3.19Å
114L97.3Very high94.1Very high24 Ų2459.7 Ų59.713%0.12631%0.306CS..EExtended strand (participates in β ladder)trans-66.8136.6173.8-79.1174.6000110.5R111 M112 P123 V124 A147 V151R111-L114 HydrophobicContact CB-CD1 4.32Å; R111-L114 HydrophobicContact CB-CG 4.44Å; R111-L114 VanDerWaalsContact O-CG 3.22Å; R111-L114 WeakPolarHBondContact O-CG 3.46Å; R111-L114 PolarHBondContact O-N 3.18Å; M112-L114 PolarHBondContact O-N 3.35Å; M112-L114 VanDerWaalsContact O-N 3.07Å; L114-P123 HydrophobicContact CB-CB 4.04Å; L114-P123 HydrophobicContact CD1-CB 4.45Å; L114-P123 HydrophobicContact CD2-CB 3.91Å; L114-P123 WeakPolarHBondContact CD2-O 3.34Å; L114-P123 HydrophobicContact CG-CB 4.33Å; L114-V124 WeakPolarHBondContact CA-O 2.92Å; L114-A147 HydrophobicContact CB-CB 3.93Å; L114-A147 HydrophobicContact CD1-CB 4Å; L114-V151 HydrophobicContact CD1-CG2 4.42Å
115V97Very high94.2Very high0 Ų059.5 Ų59.50%031%0.306CS..EExtended strand (participates in β ladder)trans-140.3152.8173.7-670000110.9I84 I95 P123 V124 I137 T144I84-V115 HydrophobicContact CG2-CG2 4.12Å; I95-V115 HydrophobicContact CD1-CG1 3.77Å; I95-V115 HydrophobicContact CG1-CG1 4.47Å; V115-P123 CarbonylContact O-C 3.55Å; V115-P123 VanDerWaalsContact O-CA 3.25Å; V115-P123 WeakPolarHBondContact O-CA 3.29Å; V115-V124 HydrophobicContact CG2-CG2 3.98Å; V115-V124 PolarHBondContact N-O 3Å; V115-V124 PolarHBondContact O-N 3.4Å; V115-I137 HydrophobicContact CG2-CG2 4.22Å; V115-T144 HydrophobicContact CB-CG2 4.47Å; V115-T144 HydrophobicContact CG1-CG2 4.21Å
116E97.1Very high94.3Very high43 Ų4356.7 Ų56.720%0.20129%0.287CS..EExtended strand (participates in β ladder)trans-77.5135.5168.4-177.1-173.7141.300110.1K138 S141 T144E116-K138 HydrophobicContact CB-CB 4.32Å; E116-K138 PolarHBondContact N-O 3.06Å; E116-K138 PolarHBondContact O-N 2.88Å; E116-K138 WeakPolarHBondContact OE1-CD 3.26Å; E116-K138 IonicContact OE1-NZ 2.7Å; E116-K138 PolarHBondContact OE1-NZ 2.87Å; E116-S141 WeakPolarHBondContact CB-OG 3.5Å; E116-S141 WeakPolarHBondContact OE2-CB 3.3Å; E116-S141 PolarHBondContact OE2-OG 2.75Å; E116-T144 WeakPolarHBondContact CB-OG1 3.43Å; E116-T144 PolarHBondContact N-OG1 3.03Å
117V95.6Very high94.3Very high8 Ų852.6 Ų52.65%0.04827%0.265CS..EExtended strand (participates in β ladder)trans-123.9132.6169.2166.80000107.5I84 S120 V124 M135 S136 I137I84-V117 HydrophobicContact CD1-CG2 3.89Å; V117-S120 WeakPolarHBondContact O-CB 3.49Å; V117-S120 PolarHBondContact O-N 3.36Å; V117-S120 PolarHBondContact O-OG 3.43Å; V117-V124 HydrophobicContact CB-CG2 4.24Å; V117-V124 HydrophobicContact CG2-CG2 3.56Å; V117-M135 HydrophobicContact CG1-CG 3.48Å; V117-M135 VanDerWaalsContact CG1-CG 3.48Å; V117-M135 HydrophobicContact CG1-SD 3.99Å; V117-M135 HydrophobicContact CG2-CG 4.35Å; V117-M135 HydrophobicContact CG2-SD 4.07Å; V117-S136 CarbonylContact C-O 3.58Å; V117-S136 WeakPolarHBondContact CA-O 3.31Å; V117-I137 HydrophobicContact CG2-CG1 4.04Å
118E91.4Very high94.5Very high87 Ų8753.4 Ų53.441%0.40727%0.272SS..THydrogen-bonded Turntrans-59.1143.3-177.8-61.4-161.3122.100111.5S120 S136 K138E118-S120 PolarHBondContact O-N 3.39Å; E118-S136 VanDerWaalsContact CD-OG 3.25Å; E118-S136 PolarHBondContact N-O 3.14Å; E118-S136 WeakPolarHBondContact OE2-CB 3.34Å; E118-S136 PolarHBondContact OE2-OG 3.04Å; E118-K138 WeakPolarHBondContact OE1-CE 3.35Å; E118-K138 IonicContact OE1-NZ 3.25Å; E118-K138 PolarHBondContact OE1-NZ 3.23Å
119K88.6Confident94.7Very high217 Ų21756.6 Ų56.694%0.94329%0.285SS*.THydrogen-bonded Turntrans66.90.7-172.5-47.7165.8-172.6167.20114.9
120S91.5Very high94.8Very high52 Ų5254.8 Ų54.836%0.36428%0.278SS..  trans-88.4126.9171.4-600000111.8V117 E118 K122V117-S120 WeakPolarHBondContact O-CB 3.49Å; V117-S120 PolarHBondContact O-N 3.36Å; V117-S120 PolarHBondContact O-OG 3.43Å; E118-S120 PolarHBondContact O-N 3.39Å; S120-K122 PolarHBondContact O-N 2.9Å
121L91.9Very high94.8Very high188 Ų18854.4 Ų54.498%0.98428%0.276SS*.SBendtrans-68.6-10.7-179.5-66.7174.8000114.9
122K94.7Very high94.6Very high162 Ų16253.1 Ų53.170%0.70428%0.28SS*.SBendtrans-150.7151.6-177.364.2-173.6178.1-173.70109.9S120 V124S120-K122 PolarHBondContact O-N 2.9Å; K122-V124 PolarHBondContact O-N 3.43Å
123P94.6Very high94.4Very high33 Ų3362 Ų6221%0.21431%0.314CS..  trans-55136.6171.1-28.738000112.3L114 V115 V143 A147L114-P123 HydrophobicContact CB-CB 4.04Å; L114-P123 HydrophobicContact CD1-CB 4.45Å; L114-P123 HydrophobicContact CD2-CB 3.91Å; L114-P123 WeakPolarHBondContact CD2-O 3.34Å; L114-P123 HydrophobicContact CG-CB 4.33Å; V115-P123 CarbonylContact O-C 3.55Å; V115-P123 VanDerWaalsContact O-CA 3.25Å; V115-P123 WeakPolarHBondContact O-CA 3.29Å; P123-V143 HydrophobicContact CG-CG1 3.71Å; P123-A147 HydrophobicContact CG-CB 4.44Å
124V95.6Very high94.1Very high13 Ų1364.6 Ų64.68%0.07934%0.341CS..EExtended strand (participates in β ladder)trans-100.1149.2179.1-610000109.9I84 L114 V115 V117 K122 S126 M129I84-V124 HydrophobicContact CD1-CG2 3.85Å; L114-V124 WeakPolarHBondContact CA-O 2.92Å; V115-V124 HydrophobicContact CG2-CG2 3.98Å; V115-V124 PolarHBondContact N-O 3Å; V115-V124 PolarHBondContact O-N 3.4Å; V117-V124 HydrophobicContact CB-CG2 4.24Å; V117-V124 HydrophobicContact CG2-CG2 3.56Å; K122-V124 PolarHBondContact O-N 3.43Å; V124-S126 PolarHBondContact O-N 2.86Å; V124-M129 HydrophobicContact CB-CE 4.22Å; V124-M129 HydrophobicContact CG1-CE 3.89Å
125A96.5Very high93.9Very high8 Ų864.8 Ų64.87%0.06634%0.341CS..EExtended strand (participates in β ladder)trans-81.6110.8174.600000108.9C127 A128 M129A125-C127 PolarHBondContact O-N 3.25Å; A125-A128 PolarHBondContact O-N 3.45Å; A125-M129 PolarHBondContact O-N 3.12Å; A125-M129 VanDerWaalsContact O-N 3.14Å
126S96.1Very high93.9Very high0 Ų065.5 Ų65.50%035%0.346CS..THydrogen-bonded Turntrans-63-26.9-172.468.50000113.1T83 I84 L85 I95 C113 V124 A128T83-S126 WeakPolarHBondContact CB-O 3.4Å; I84-S126 PolarHBondContact N-O 3.48Å; L85-S126 PolarHBondContact N-O 3.47Å; I95-S126 WeakPolarHBondContact CD1-OG 3.33Å; C113-S126 PolarHBondContact O-N 3.3Å; C113-S126 PolarHBondContact O-OG 3.34Å; V124-S126 PolarHBondContact O-N 2.86Å; S126-A128 PolarHBondContact O-N 2.89Å
127C95.8Very high93.8Very high1 Ų163.4 Ų63.41%0.00734%0.337CS..THydrogen-bonded Turntrans-72.8-7.4-179.575.30000115.2L85 Y100 I106 C113 A125L85-C127 HydrophobicContact CB-CB 4.48Å; L85-C127 HydrophobicContact CD1-CB 3.69Å; Y100-C127 HydrophobicContact CD2-CB 3.65Å; Y100-C127 HydrophobicContact CE2-CB 4.43Å; Y100-C127 HydrophobicContact CG-CB 3.93Å; I106-C127 WeakPolarHBondContact CG2-O 3.36Å; C113-C127 PolarHBondContact SG-SG 3.19Å; A125-C127 PolarHBondContact O-N 3.25Å
128A95.1Very high93.9Very high48 Ų4866 Ų6640%0.39735%0.348SS..THydrogen-bonded Turntrans-137-16-173.500000114.5I106 A125 S126I106-A128 HydrophobicContact CG2-CB 3.54Å; A125-A128 PolarHBondContact O-N 3.45Å; S126-A128 PolarHBondContact O-N 2.89Å
129M94.6Very high94.1Very high78 Ų7862.4 Ų62.438%0.38433%0.331SS..SBendtrans-83.4122.1171.3-175.165.976.300108.9T83 I84 V124 A125 M135T83-M129 WeakPolarHBondContact CA-O 3.48Å; I84-M129 HydrophobicContact CD1-CB 3.76Å; I84-M129 HydrophobicContact CD1-CG 3.62Å; I84-M129 HydrophobicContact CG1-CB 4.33Å; I84-M129 HydrophobicContact CG1-CG 4.36Å; I84-M129 PolarHBondContact N-O 3.04Å; V124-M129 HydrophobicContact CB-CE 4.22Å; V124-M129 HydrophobicContact CG1-CE 3.89Å; A125-M129 PolarHBondContact O-N 3.12Å; A125-M129 VanDerWaalsContact O-N 3.14Å; M129-M135 HydrophobicContact CG-CE 4.45Å
130P94.9Very high94.3Very high60 Ų6056.7 Ų56.739%0.3931%0.311SS..BIsolated β-bridgetrans-71.2155.4171.330.8-34.9000111.1M82M82-P130 CarbonylContact O-C 3.57Å; M82-P130 WeakPolarHBondContact O-CA 3.44Å
131V93.9Very high94.5Very high7 Ų755.2 Ų55.24%0.04230%0.3CS..PPolyproline II helixtrans-69.8149.5173.2-65.70000112.1I67 V69 C78 M82 I84 A87I67-V131 HydrophobicContact CB-CG2 4.46Å; I67-V131 HydrophobicContact CD1-CG2 4.35Å; I67-V131 HydrophobicContact CG2-CG2 4.3Å; V69-V131 HydrophobicContact CG1-CB 3.9Å; V69-V131 HydrophobicContact CG1-CG1 4.19Å; C78-V131 HydrophobicContact CB-CG2 4.1Å; M82-V131 HydrophobicContact CB-CG2 4.32Å; M82-V131 WeakPolarHBondContact O-CG2 3.47Å; M82-V131 PolarHBondContact O-N 3.26Å; I84-V131 HydrophobicContact CG1-CG1 4.36Å; A87-V131 HydrophobicContact CB-CG1 3.61Å
132V92.1Very high94.7Very high85 Ų8552.5 Ų52.552%0.51528%0.283SS..  trans-134.4144.1176-177.30000108.1V69 G134 M135V69-V132 WeakPolarHBondContact CG1-O 3.37Å; V132-G134 PolarHBondContact O-N 3.02Å; V132-M135 HydrophobicContact CB-CE 4.01Å; V132-M135 HydrophobicContact CG2-CE 3.98Å; V132-M135 WeakPolarHBondContact O-CB 3.35Å; V132-M135 PolarHBondContact O-N 3.43Å
133R92.4Very high94.7Very high186 Ų18648.2 Ų48.270%0.70227%0.27SS*.THydrogen-bonded Turntrans-57.5128.9-174.2-161.2178.3-164.2152.910.2112.1I67 M135I67-R133 HydrophobicContact CG2-CB 4.03Å; R133-M135 VanDerWaalsContact C-N 3.26Å; R133-M135 PolarHBondContact O-N 2.69Å
134G89.3Confident94.8Very high57 Ų5746.6 Ų46.659%0.58826%0.26SS*.THydrogen-bonded Turntrans72.715.3-176.800000114.3E68 V132E68-G134 PolarHBondContact O-N 2.88Å; V132-G134 PolarHBondContact O-N 3.02Å
135M94Very high94.8Very high27 Ų2751.8 Ų51.813%0.13328%0.278CS..  trans-65.9134.3166.8-172.9-175.5-71.800109.6V69 L70 I84 V117 M129 V132 R133 I137V69-M135 WeakPolarHBondContact CA-O 3.38Å; V69-M135 HydrophobicContact CG1-CB 4.04Å; L70-M135 PolarHBondContact N-O 2.83Å; I84-M135 HydrophobicContact CD1-CE 4.23Å; I84-M135 HydrophobicContact CD1-SD 3.45Å; I84-M135 WeakPolarHBondContact CD1-SD 3.49Å; I84-M135 HydrophobicContact CG1-SD 3.77Å; V117-M135 HydrophobicContact CG1-CG 3.48Å; V117-M135 VanDerWaalsContact CG1-CG 3.48Å; V117-M135 HydrophobicContact CG1-SD 3.99Å; V117-M135 HydrophobicContact CG2-CG 4.35Å; V117-M135 HydrophobicContact CG2-SD 4.07Å; M129-M135 HydrophobicContact CG-CE 4.45Å; V132-M135 HydrophobicContact CB-CE 4.01Å; V132-M135 HydrophobicContact CG2-CE 3.98Å; V132-M135 WeakPolarHBondContact O-CB 3.35Å; V132-M135 PolarHBondContact O-N 3.43Å; R133-M135 VanDerWaalsContact C-N 3.26Å; R133-M135 PolarHBondContact O-N 2.69Å; M135-I137 HydrophobicContact CG-CG1 4.05Å; M135-I137 HydrophobicContact SD-CD1 4.27Å; M135-I137 HydrophobicContact SD-CG1 4Å
136S95.6Very high94.8Very high15 Ų1557.1 Ų57.111%0.10530%0.3CS..EExtended strand (participates in β ladder)trans-116.6115.3178.3174.90000108.5L70 V117 E118L70-S136 WeakPolarHBondContact O-CA 3.39Å; V117-S136 CarbonylContact C-O 3.58Å; V117-S136 WeakPolarHBondContact CA-O 3.31Å; E118-S136 VanDerWaalsContact CD-OG 3.25Å; E118-S136 PolarHBondContact N-O 3.14Å; E118-S136 WeakPolarHBondContact OE2-CB 3.34Å; E118-S136 PolarHBondContact OE2-OG 3.04Å
137I96.6Very high94.9Very high0 Ų058.1 Ų58.10%031%0.308CS..EExtended strand (participates in β ladder)trans-110.1128.3-170-58.8143.9000107.9V69 L70 V71 D72 I84 V115 V117 M135 T139V69-I137 HydrophobicContact CB-CD1 4.39Å; V69-I137 HydrophobicContact CG2-CD1 4.42Å; L70-I137 PolarHBondContact O-N 2.92Å; V71-I137 HydrophobicContact CG2-CD1 4.03Å; D72-I137 PolarHBondContact N-O 2.86Å; I84-I137 HydrophobicContact CG1-CD1 4.39Å; I84-I137 HydrophobicContact CG2-CD1 3.87Å; I84-I137 HydrophobicContact CG2-CG1 3.96Å; I84-I137 HydrophobicContact CG2-CG2 3.77Å; V115-I137 HydrophobicContact CG2-CG2 4.22Å; V117-I137 HydrophobicContact CG2-CG1 4.04Å; M135-I137 HydrophobicContact CG-CG1 4.05Å; M135-I137 HydrophobicContact SD-CD1 4.27Å; M135-I137 HydrophobicContact SD-CG1 4Å; I137-T139 HydrophobicContact CG2-CG2 4.08Å
138K96.1Very high94.9Very high63 Ų6358.6 Ų58.627%0.27431%0.309SS..EExtended strand (participates in β ladder)trans-115.7114.9177.6-63.8170.8-171.5163.60109.4D72 E116 E118 T144D72-K138 WeakPolarHBondContact OD1-CA 3.48Å; E116-K138 HydrophobicContact CB-CB 4.32Å; E116-K138 PolarHBondContact N-O 3.06Å; E116-K138 PolarHBondContact O-N 2.88Å; E116-K138 WeakPolarHBondContact OE1-CD 3.26Å; E116-K138 IonicContact OE1-NZ 2.7Å; E116-K138 PolarHBondContact OE1-NZ 2.87Å; E118-K138 WeakPolarHBondContact OE1-CE 3.35Å; E118-K138 IonicContact OE1-NZ 3.25Å; E118-K138 PolarHBondContact OE1-NZ 3.23Å; K138-T144 PolarHBondContact O-OG1 3.17Å
139T95.7Very high95Very high11 Ų1159.4 Ų59.47%0.06731%0.305CS..SBendtrans-97.6-13.2-171.375.10000113.9V71 D72 V93 I95 I137 T144 R148V71-T139 HydrophobicContact CG1-CG2 4.12Å; D72-T139 PolarHBondContact OD1-N 3.19Å; D72-T139 WeakPolarHBondContact OD2-CB 3.47Å; D72-T139 VanDerWaalsContact OD2-CG2 3.27Å; D72-T139 WeakPolarHBondContact OD2-CG2 3.29Å; D72-T139 PolarHBondContact OD2-OG1 2.81Å; V93-T139 HydrophobicContact CG1-CG2 3.94Å; V93-T139 WeakPolarHBondContact CG1-OG1 3.16Å; I95-T139 HydrophobicContact CD1-CG2 4.48Å; I137-T139 HydrophobicContact CG2-CG2 4.08Å; T139-T144 VanDerWaalsContact O-CG2 3.27Å; T139-T144 WeakPolarHBondContact O-CG2 3.4Å; T139-R148 PolarHBondContact O-NH1 3.08Å; T139-R148 PolarHBondContact O-NH2 3.01Å
140D94.4Very high95.1Very high97 Ų9756.7 Ų56.752%0.51930%0.297SS..SBendtrans-127.226.4173.9-162.741.7000113.6R145D140-R145 VanDerWaalsContact OD1-CD 3.25Å; D140-R145 WeakPolarHBondContact OD1-CD 3.45Å; D140-R145 VanDerWaalsContact OD1-CG 3.28Å; D140-R145 WeakPolarHBondContact OD1-CG 3.17Å; D140-R145 IonicContact OD1-NH1 3.61Å; D140-R145 IonicContact OD2-NH1 3.6Å
141S95.1Very high95.2Very high20 Ų2054.8 Ų54.814%0.1428%0.284CS..  trans-65.8155.1172.778.10000111.9E116 V143 T144 R145E116-S141 WeakPolarHBondContact CB-OG 3.5Å; E116-S141 WeakPolarHBondContact OE2-CB 3.3Å; E116-S141 PolarHBondContact OE2-OG 2.75Å; S141-V143 PolarHBondContact O-N 3.19Å; S141-T144 WeakPolarHBondContact O-CA 3.43Å; S141-T144 WeakPolarHBondContact O-CB 3.45Å; S141-T144 PolarHBondContact O-N 2.83Å; S141-T144 WeakPolarHBondContact OG-CB 3.47Å; S141-T144 PolarHBondContact OG-N 3.21Å; S141-T144 PolarHBondContact OG-OG1 3.02Å; S141-R145 WeakPolarHBondContact O-CG 3.1Å; S141-R145 PolarHBondContact O-N 3.18Å
142E95.3Very high95.4Very high131 Ų13154.5 Ų54.561%0.61228%0.282SS*.Hα-helixtrans-54.7-38.1177.2-168.4-168.5157.400112.2K146E142-K146 HydrophobicContact CG-CD 4.26Å; E142-K146 WeakPolarHBondContact O-CB 3.49Å; E142-K146 WeakPolarHBondContact O-CG 3.36Å; E142-K146 PolarHBondContact O-N 3.15Å; E142-K146 WeakPolarHBondContact OE1-CE 3.44Å; E142-K146 IonicContact OE1-NZ 2.59Å; E142-K146 PolarHBondContact OE1-NZ 3.03Å
143V95.5Very high95.6Very high72 Ų7252 Ų5244%0.43627%0.265SS..Hα-helixtrans-65.3-42175.6-168.90000111P123 S141 A147P123-V143 HydrophobicContact CG-CG1 3.71Å; S141-V143 PolarHBondContact O-N 3.19Å; V143-A147 VanDerWaalsContact O-CB 3.32Å; V143-A147 WeakPolarHBondContact O-CB 3.43Å; V143-A147 PolarHBondContact O-N 2.91Å
144T96.4Very high95.7Very high0 Ų050.6 Ų50.60%026%0.264CS..Hα-helixtrans-66.2-43.2178.6-61.40000111.9V115 E116 K138 T139 S141 A147 R148V115-T144 HydrophobicContact CB-CG2 4.47Å; V115-T144 HydrophobicContact CG1-CG2 4.21Å; E116-T144 WeakPolarHBondContact CB-OG1 3.43Å; E116-T144 PolarHBondContact N-OG1 3.03Å; K138-T144 PolarHBondContact O-OG1 3.17Å; T139-T144 VanDerWaalsContact O-CG2 3.27Å; T139-T144 WeakPolarHBondContact O-CG2 3.4Å; S141-T144 WeakPolarHBondContact O-CA 3.43Å; S141-T144 WeakPolarHBondContact O-CB 3.45Å; S141-T144 PolarHBondContact O-N 2.83Å; S141-T144 WeakPolarHBondContact OG-CB 3.47Å; S141-T144 PolarHBondContact OG-N 3.21Å; S141-T144 PolarHBondContact OG-OG1 3.02Å; T144-A147 PolarHBondContact O-N 3.43Å; T144-R148 VanDerWaalsContact CG2-CZ 3.48Å; T144-R148 VanDerWaalsContact CG2-NH2 3.29Å; T144-R148 WeakPolarHBondContact O-CG 3.31Å; T144-R148 PolarHBondContact O-N 3.13Å; T144-R148 VanDerWaalsContact O-N 3.1Å
145R96Very high96Very high122 Ų12249.2 Ų49.246%0.4624%0.243SC..Hα-helixtrans-62.7-52.3176.2-67.2172.664.3126.8-0.8111.5D140 S141 A147 R148 E149D140-R145 VanDerWaalsContact OD1-CD 3.25Å; D140-R145 WeakPolarHBondContact OD1-CD 3.45Å; D140-R145 VanDerWaalsContact OD1-CG 3.28Å; D140-R145 WeakPolarHBondContact OD1-CG 3.17Å; D140-R145 IonicContact OD1-NH1 3.61Å; D140-R145 IonicContact OD2-NH1 3.6Å; S141-R145 WeakPolarHBondContact O-CG 3.1Å; S141-R145 PolarHBondContact O-N 3.18Å; R145-A147 PolarHBondContact O-N 2.71Å; R145-R148 PolarHBondContact O-N 3.15Å; R145-E149 WeakPolarHBondContact O-CG 3.08Å; R145-E149 PolarHBondContact O-N 2.75Å
146K96.6Very high96Very high120 Ų12050.9 Ų50.952%0.52225%0.252SS..Hα-helixtrans-58.1-34.1176.1-74.4174.8173.6176.10113E142 G150E142-K146 HydrophobicContact CG-CD 4.26Å; E142-K146 WeakPolarHBondContact O-CB 3.49Å; E142-K146 WeakPolarHBondContact O-CG 3.36Å; E142-K146 PolarHBondContact O-N 3.15Å; E142-K146 WeakPolarHBondContact OE1-CE 3.44Å; E142-K146 IonicContact OE1-NZ 2.59Å; E142-K146 PolarHBondContact OE1-NZ 3.03Å; K146-G150 PolarHBondContact O-N 3.42Å
147A96.8Very high95.9Very high20 Ų2051.4 Ų51.417%0.16526%0.255CS..Hα-helixtrans-67.1-41.3174.600000112.6L114 P123 V143 T144 R145 V151L114-A147 HydrophobicContact CB-CB 3.93Å; L114-A147 HydrophobicContact CD1-CB 4Å; P123-A147 HydrophobicContact CG-CB 4.44Å; V143-A147 VanDerWaalsContact O-CB 3.32Å; V143-A147 WeakPolarHBondContact O-CB 3.43Å; V143-A147 PolarHBondContact O-N 2.91Å; T144-A147 PolarHBondContact O-N 3.43Å; R145-A147 PolarHBondContact O-N 2.71Å; A147-V151 WeakPolarHBondContact O-CB 3.42Å; A147-V151 VanDerWaalsContact O-CG2 3.29Å; A147-V151 WeakPolarHBondContact O-CG2 3.41Å; A147-V151 PolarHBondContact O-N 3.19Å; A147-V151 VanDerWaalsContact O-N 3.09Å
148R96.8Very high95.7Very high11 Ų1153.7 Ų53.74%0.04227%0.267CS..Hα-helixtrans-67.7-47.2175.1-69.9171.9-174.4154.79.4112P96 M112 T139 T144 R145 G150 V151 M152 F181P96-R148 HydrophobicContact CG-CG 4.32Å; M112-R148 HydrophobicContact CE-CB 3.97Å; M112-R148 HydrophobicContact CE-CG 4.3Å; M112-R148 HydrophobicContact SD-CB 4.48Å; T139-R148 PolarHBondContact O-NH1 3.08Å; T139-R148 PolarHBondContact O-NH2 3.01Å; T144-R148 VanDerWaalsContact CG2-CZ 3.48Å; T144-R148 VanDerWaalsContact CG2-NH2 3.29Å; T144-R148 WeakPolarHBondContact O-CG 3.31Å; T144-R148 PolarHBondContact O-N 3.13Å; T144-R148 VanDerWaalsContact O-N 3.1Å; R145-R148 PolarHBondContact O-N 3.15Å; R148-G150 PolarHBondContact O-N 2.81Å; R148-V151 PolarHBondContact O-N 2.68Å; R148-M152 WeakPolarHBondContact O-CB 3.24Å; R148-M152 PolarHBondContact O-N 2.91Å; R148-F181 HydrophobicContact CB-CB 4.32Å
149E97.1Very high95.6Very high66 Ų6651.7 Ų51.731%0.30826%0.259SS..Hα-helixtrans-55.6-48.7176.9-71.1164.7-154.800111.2R145 M152 E153R145-E149 WeakPolarHBondContact O-CG 3.08Å; R145-E149 PolarHBondContact O-N 2.75Å; E149-M152 PolarHBondContact O-N 2.61Å; E149-E153 PolarHBondContact O-N 3.45Å
150G96.5Very high95.6Very high21 Ų2152.1 Ų52.122%0.21626%0.261CS..Hα-helixtrans-66.5-39178.700000113.9K146 R148 E153 F154K146-G150 PolarHBondContact O-N 3.42Å; R148-G150 PolarHBondContact O-N 2.81Å; G150-E153 PolarHBondContact O-N 2.87Å; G150-F154 WeakPolarHBondContact O-CD2 3.45Å; G150-F154 PolarHBondContact O-N 3.49Å; G150-F154 VanDerWaalsContact O-N 3.09Å
151V97Very high95.6Very high20 Ų2054.3 Ų54.312%0.12127%0.272CS..Hα-helixtrans-65.9-43.7174.2168.80000111C110 R111 M112 L114 A147 R148 E153 F154 L155C110-V151 VanDerWaalsContact O-CG1 3.32Å; C110-V151 WeakPolarHBondContact O-CG1 3.46Å; R111-V151 HydrophobicContact CB-CG2 4.08Å; M112-V151 HydrophobicContact CB-CG1 4.17Å; M112-V151 HydrophobicContact SD-CB 4.3Å; M112-V151 HydrophobicContact SD-CG1 3.98Å; L114-V151 HydrophobicContact CD1-CG2 4.42Å; A147-V151 WeakPolarHBondContact O-CB 3.42Å; A147-V151 VanDerWaalsContact O-CG2 3.29Å; A147-V151 WeakPolarHBondContact O-CG2 3.41Å; A147-V151 PolarHBondContact O-N 3.19Å; A147-V151 VanDerWaalsContact O-N 3.09Å; R148-V151 PolarHBondContact O-N 2.68Å; V151-E153 VanDerWaalsContact C-N 3.32Å; V151-E153 PolarHBondContact O-N 3.29Å; V151-F154 PolarHBondContact O-N 3.44Å; V151-L155 HydrophobicContact CG1-CD1 4.07Å; V151-L155 HydrophobicContact CG1-CG 4.49Å; V151-L155 VanDerWaalsContact O-CG 3.31Å; V151-L155 WeakPolarHBondContact O-CG 3.42Å; V151-L155 PolarHBondContact O-N 3.39Å; V151-L155 VanDerWaalsContact O-N 3.08Å
152M97.3Very high95.6Very high1 Ų155 Ų551%0.00528%0.275CS..Hα-helixtrans-59.2-43.6176.1-173.660.563.900111.6F98 M112 R148 E149 F154 L155 L156 L174 Q177F98-M152 HydrophobicContact CE2-CE 3.94Å; F98-M152 HydrophobicContact CZ-CE 3.71Å; F98-M152 HydrophobicContact CZ-SD 4.5Å; M112-M152 HydrophobicContact CE-CE 3.53Å; M112-M152 HydrophobicContact SD-CE 4.06Å; R148-M152 WeakPolarHBondContact O-CB 3.24Å; R148-M152 PolarHBondContact O-N 2.91Å; E149-M152 PolarHBondContact O-N 2.61Å; M152-F154 PolarHBondContact O-N 3.49Å; M152-L155 PolarHBondContact O-N 3.48Å; M152-L156 HydrophobicContact CG-CD1 3.89Å; M152-L156 HydrophobicContact CG-CG 4.45Å; M152-L156 WeakPolarHBondContact O-CG 3.45Å; M152-L156 PolarHBondContact O-N 2.77Å; M152-L156 HydrophobicContact SD-CD1 4.1Å; M152-L156 HydrophobicContact SD-CG 4.26Å; M152-L174 HydrophobicContact SD-CD1 3.71Å; M152-Q177 VanDerWaalsContact CE-C 3.41Å; M152-Q177 HydrophobicContact CE-CB 3.87Å; M152-Q177 WeakPolarHBondContact CE-O 3.22Å
153E96.2Very high95.6Very high32 Ų3251.9 Ų51.915%0.1527%0.267CS..Hα-helixtrans-58.5-48.8174.8-173.4179.3-150.900111.6E149 G150 V151 L155 L156 V157 R187E149-E153 PolarHBondContact O-N 3.45Å; G150-E153 PolarHBondContact O-N 2.87Å; V151-E153 VanDerWaalsContact C-N 3.32Å; V151-E153 PolarHBondContact O-N 3.29Å; E153-L155 VanDerWaalsContact C-N 3.26Å; E153-L155 PolarHBondContact O-N 3.1Å; E153-L156 PolarHBondContact O-N 2.81Å; E153-L156 VanDerWaalsContact O-N 3.12Å; E153-V157 HydrophobicContact CG-CG2 4.24Å; E153-V157 WeakPolarHBondContact O-CG2 3.41Å; E153-V157 PolarHBondContact O-N 3.32Å; E153-R187 VanDerWaalsContact OE1-CB 3.3Å; E153-R187 WeakPolarHBondContact OE1-CB 3.38Å; E153-R187 WeakPolarHBondContact OE1-CG 3.32Å; E153-R187 IonicContact OE1-CZ 3.79Å; E153-R187 IonicContact OE1-NE 2.7Å; E153-R187 PolarHBondContact OE1-NE 3.03Å; E153-R187 IonicContact OE1-NH2 3.95Å; E153-R187 IonicContact OE2-CZ 3.75Å; E153-R187 IonicContact OE2-NE 2.72Å; E153-R187 PolarHBondContact OE2-NE 2.63Å; E153-R187 IonicContact OE2-NH2 2.82Å; E153-R187 PolarHBondContact OE2-NH2 3.4Å
154F94.9Very high95.6Very high157 Ų15753.5 Ų53.569%0.68928%0.279SS*.Hα-helixtrans-60.5-32.9178.2-70.1-53.2000113.7G150 V151 M152G150-F154 WeakPolarHBondContact O-CD2 3.45Å; G150-F154 PolarHBondContact O-N 3.49Å; G150-F154 VanDerWaalsContact O-N 3.09Å; V151-F154 PolarHBondContact O-N 3.44Å; M152-F154 PolarHBondContact O-N 3.49Å
155L95.7Very high95.6Very high28 Ų2858.2 Ų58.215%0.14730%0.303CS..Hα-helixtrans-68.7-44.7174.4-64.8168.4000111.2F98 V151 M152 E153 H159 L174 I216F98-L155 HydrophobicContact CD2-CD1 3.52Å; F98-L155 HydrophobicContact CE2-CD1 3.28Å; F98-L155 HydrophobicContact CZ-CD1 4.26Å; V151-L155 HydrophobicContact CG1-CD1 4.07Å; V151-L155 HydrophobicContact CG1-CG 4.49Å; V151-L155 VanDerWaalsContact O-CG 3.31Å; V151-L155 WeakPolarHBondContact O-CG 3.42Å; V151-L155 PolarHBondContact O-N 3.39Å; V151-L155 VanDerWaalsContact O-N 3.08Å; M152-L155 PolarHBondContact O-N 3.48Å; E153-L155 VanDerWaalsContact C-N 3.26Å; E153-L155 PolarHBondContact O-N 3.1Å; L155-H159 PolarHBondContact O-N 2.88Å; L155-L174 HydrophobicContact CB-CD1 4.18Å; L155-L174 HydrophobicContact CD1-CD1 4.28Å; L155-I216 HydrophobicContact CD2-CB 4.03Å; L155-I216 HydrophobicContact CD2-CG2 4.26Å
156L95.5Very high95.6Very high61 Ų6152.8 Ų52.832%0.31928%0.283SS..Hα-helixtrans-78.3-24.6-177.1-65.2175.1000114.1M152 E153 N158 H159 L174 S178 K196M152-L156 HydrophobicContact CG-CD1 3.89Å; M152-L156 HydrophobicContact CG-CG 4.45Å; M152-L156 WeakPolarHBondContact O-CG 3.45Å; M152-L156 PolarHBondContact O-N 2.77Å; M152-L156 HydrophobicContact SD-CD1 4.1Å; M152-L156 HydrophobicContact SD-CG 4.26Å; E153-L156 PolarHBondContact O-N 2.81Å; E153-L156 VanDerWaalsContact O-N 3.12Å; L156-N158 PolarHBondContact O-N 2.91Å; L156-H159 HydrophobicContact CD2-CB 4.38Å; L156-H159 PolarHBondContact O-N 3.15Å; L156-L174 HydrophobicContact CD2-CD1 4.3Å; L156-L174 HydrophobicContact CD2-CD2 4.1Å; L156-L174 HydrophobicContact CD2-CG 4.17Å; L156-S178 WeakPolarHBondContact CD1-OG 3.36Å; L156-K196 PolarHBondContact O-NZ 2.62Å
157V92.9Very high95.5Very high27 Ų2747.3 Ų47.316%0.16426%0.26CS..Hα-helixtrans-48.2-46.8174.6158.50000111E153 F188 K196E153-V157 HydrophobicContact CG-CG2 4.24Å; E153-V157 WeakPolarHBondContact O-CG2 3.41Å; E153-V157 PolarHBondContact O-N 3.32Å; V157-F188 HydrophobicContact CG1-CD2 3.75Å; V157-F188 HydrophobicContact CG1-CE2 3.98Å; V157-F188 HydrophobicContact CG1-CG 4.19Å; V157-F188 HydrophobicContact CG2-CB 4.16Å; V157-F188 HydrophobicContact CG2-CD2 4.38Å; V157-F188 HydrophobicContact CG2-CG 4.46Å; V157-K196 PolarHBondContact O-NZ 3.2Å
158N91.9Very high95.3Very high47 Ų4747.6 Ų47.625%0.25126%0.258SS..THydrogen-bonded Turntrans-107.26.9-178.7-87.8-64.6000114.7L156 R197L156-N158 PolarHBondContact O-N 2.91Å; N158-R197 HydrophobicContact CB-CG 4.14Å; N158-R197 WeakPolarHBondContact OD1-CG 3.34Å; N158-R197 PolarHBondContact OD1-N 2.82Å; N158-R197 VanDerWaalsContact OD1-N 3.14Å
159H94.8Very high95.1Very high22 Ų2247.3 Ų47.310%0.10226%0.259CS..  trans-81.8140.1174.7-161.281.1000110.8L155 L156 K196 R214L155-H159 PolarHBondContact O-N 2.88Å; L156-H159 HydrophobicContact CD2-CB 4.38Å; L156-H159 PolarHBondContact O-N 3.15Å; H159-K196 WeakPolarHBondContact O-CD 3.48Å; H159-K196 WeakPolarHBondContact O-CE 3.39Å; H159-K196 PolarHBondContact O-NZ 2.88Å; H159-R214 PolarHBondContact CE1-O 2.96Å; H159-R214 PolarHBondContact ND1-O 3.39Å
160P94.9Very high95Very high19 Ų1945.7 Ų45.712%0.12326%0.26CS..  trans-73.9160.717733.2-38.1000111.8D162 T213 R214P160-D162 HydrophobicContact CB-CB 4.35Å; P160-D162 HydrophobicContact CG-CB 4.11Å; P160-D162 PolarHBondContact O-N 2.86Å; P160-T213 HydrophobicContact CB-CG2 4.03Å; P160-T213 WeakPolarHBondContact CD-O 3.33Å; P160-T213 HydrophobicContact CG-CG2 3.91Å; P160-R214 HydrophobicContact CG-CB 4.39Å; P160-R214 HydrophobicContact CG-CG 3.64Å
161L94.6Very high94.9Very high143 Ų14346.5 Ų46.575%0.74926%0.258SS*.SBendtrans-84.842179.9-77.471.4000111.6C163 K196L161-C163 VanDerWaalsContact C-N 3.34Å; L161-C163 PolarHBondContact O-N 2.7Å; L161-K196 HydrophobicContact CD1-CD 4.25Å
162D95.6Very high94.9Very high35 Ų3546 Ų4619%0.18726%0.255CS..  trans-82.3-4.6-164.8-96.336.5000114.7P160 P164 I165 C166 R214P160-D162 HydrophobicContact CB-CB 4.35Å; P160-D162 HydrophobicContact CG-CB 4.11Å; P160-D162 PolarHBondContact O-N 2.86Å; D162-P164 VanDerWaalsContact C-N 3.31Å; D162-I165 HydrophobicContact CB-CG1 4.24Å; D162-I165 CarbonylContact O-C 3.56Å; D162-I165 WeakPolarHBondContact O-CA 3.39Å; D162-I165 VanDerWaalsContact O-CG1 3.25Å; D162-I165 WeakPolarHBondContact O-CG1 3.45Å; D162-I165 PolarHBondContact O-N 3.38Å; D162-C166 HydrophobicContact CB-CB 4.45Å; D162-C166 VanDerWaalsContact O-CB 3.28Å; D162-C166 WeakPolarHBondContact O-CB 3.42Å; D162-C166 PolarHBondContact O-N 3.3Å; D162-R214 HydrophobicContact CB-CG 4.34Å; D162-R214 IonicContact OD2-CZ 3.3Å; D162-R214 IonicContact OD2-NE 2.68Å; D162-R214 PolarHBondContact OD2-NE 3.45Å; D162-R214 IonicContact OD2-NH2 3.09Å; D162-R214 PolarHBondContact OD2-NH2 2.71Å
163C95.6Very high94.8Very high66 Ų6648.7 Ų48.745%0.44627%0.27SS..G310 helixtrans-47.1-42-170-54.60000114.9L161 I165 C166L161-C163 VanDerWaalsContact C-N 3.34Å; L161-C163 PolarHBondContact O-N 2.7Å; C163-I165 VanDerWaalsContact C-N 3.31Å; C163-I165 PolarHBondContact O-N 2.85Å; C163-C166 PolarHBondContact O-N 2.91Å
164P95.5Very high94.9Very high106 Ų10647.3 Ų47.369%0.68826%0.263SS*.G310 helixtrans-64.9-27.6176.5-21.634.8000114.9D162 R280D162-P164 VanDerWaalsContact C-N 3.31Å; P164-R280 PolarHBondContact O-NH2 2.86Å
165I95.8Very high95Very high98 Ų9843.4 Ų43.450%0.50325%0.247SC..G310 helixtrans-1129.6-178.864.2164.1000113.1D162 C163 R214 F277D162-I165 HydrophobicContact CB-CG1 4.24Å; D162-I165 CarbonylContact O-C 3.56Å; D162-I165 WeakPolarHBondContact O-CA 3.39Å; D162-I165 VanDerWaalsContact O-CG1 3.25Å; D162-I165 WeakPolarHBondContact O-CG1 3.45Å; D162-I165 PolarHBondContact O-N 3.38Å; C163-I165 VanDerWaalsContact C-N 3.31Å; C163-I165 PolarHBondContact O-N 2.85Å; I165-R214 PolarHBondContact O-NH2 2.73Å; I165-R214 VanDerWaalsContact O-NH2 3.09Å; I165-F277 WeakPolarHBondContact O-CE1 3.47Å
166C96.1Very high95Very high8 Ų845.6 Ų45.65%0.05426%0.259CS..  trans-95.5119.5178.1-178.90000109D162 C163 Q168 G169 R280D162-C166 HydrophobicContact CB-CB 4.45Å; D162-C166 VanDerWaalsContact O-CB 3.28Å; D162-C166 WeakPolarHBondContact O-CB 3.42Å; D162-C166 PolarHBondContact O-N 3.3Å; C163-C166 PolarHBondContact O-N 2.91Å; C166-Q168 PolarHBondContact O-N 3.48Å; C166-G169 PolarHBondContact O-N 3.01Å; C166-R280 PolarHBondContact O-NH1 2.91Å; C166-R280 PolarHBondContact O-NH2 3.25Å
167D94.2Very high95Very high5 Ų543.6 Ų43.63%0.02725%0.248CC..THydrogen-bonded Turntrans-55.1-40.5-176.6-57.5-69.9000111.6G169 K209 T271 A276 F277 R280D167-G169 PolarHBondContact O-N 3.21Å; D167-K209 IonicContact OD1-NZ 3.47Å; D167-K209 IonicContact OD2-NZ 3.94Å; D167-K209 PolarHBondContact OD2-NZ 2.73Å; D167-T271 HydrophobicContact CB-CG2 3.99Å; D167-T271 PolarHBondContact OD2-OG1 3.38Å; D167-A276 WeakPolarHBondContact OD1-CA 3.37Å; D167-F277 WeakPolarHBondContact OD1-CD1 3.33Å; D167-F277 PolarHBondContact OD1-N 3.09Å; D167-R280 PolarHBondContact O-NH1 2.76Å
168Q93.6Very high95.2Very high26 Ų2643.5 Ų43.512%0.12125%0.249CC..THydrogen-bonded Turntrans-68.9-7.4177.8-150.875.218.500114.7C166 G170 E171 C172 G268C166-Q168 PolarHBondContact O-N 3.48Å; Q168-G170 PolarHBondContact O-N 3.12Å; Q168-E171 HydrophobicContact CG-CG 4.33Å; Q168-E171 PolarHBondContact NE2-O 3.27Å; Q168-E171 CarbonylContact O-C 3.28Å; Q168-E171 PolarHBondContact O-N 2.93Å; Q168-C172 HydrophobicContact CB-CB 4.49Å; Q168-C172 HydrophobicContact CG-CB 4.11Å; Q168-C172 WeakPolarHBondContact O-CB 3.39Å; Q168-C172 PolarHBondContact O-N 3.34Å; Q168-G268 VanDerWaalsContact CB-CA 3.48Å
169G92.7Very high95.4Very high6 Ų648.5 Ų48.56%0.06227%0.272CS..THydrogen-bonded Turntrans-57.8121.1178.600000110.9C166 D167 R280 W282C166-G169 PolarHBondContact O-N 3.01Å; D167-G169 PolarHBondContact O-N 3.21Å; G169-R280 PolarHBondContact O-NH1 2.87Å; G169-R280 VanDerWaalsContact O-NH1 3.16Å; G169-W282 VanDerWaalsContact O-CZ3 3.27Å; G169-W282 WeakPolarHBondContact O-CZ3 3.41Å
170G93.3Very high95.4Very high32 Ų3253.1 Ų53.133%0.3330%0.298SS..THydrogen-bonded Turntrans93.82.2-171.100000116.4Q168 Q175Q168-G170 PolarHBondContact O-N 3.12Å; G170-Q175 VanDerWaalsContact N-OE1 3.13Å
171E94.5Very high95.4Very high38 Ų3855.4 Ų55.418%0.17831%0.306CS..SBendtrans-15143.6169.562.4-172.3169.400111Q168 P281 R286 R311Q168-E171 HydrophobicContact CG-CG 4.33Å; Q168-E171 PolarHBondContact NE2-O 3.27Å; Q168-E171 CarbonylContact O-C 3.28Å; Q168-E171 PolarHBondContact O-N 2.93Å; E171-P281 HydrophobicContact CB-CB 4.15Å; E171-P281 HydrophobicContact CB-CG 4.19Å; E171-P281 HydrophobicContact CG-CB 3.99Å; E171-P281 HydrophobicContact CG-CG 3.96Å; E171-P281 WeakPolarHBondContact OE2-CB 3.15Å; E171-R286 IonicContact OE2-NH2 3.39Å; E171-R286 PolarHBondContact OE2-NH2 3.06Å; E171-R311 VanDerWaalsContact CD-NH2 3.28Å; E171-R311 IonicContact OE1-CZ 2.72Å; E171-R311 VanDerWaalsContact OE1-CZ 3.23Å; E171-R311 IonicContact OE1-NH1 2.77Å; E171-R311 PolarHBondContact OE1-NH1 3.29Å; E171-R311 IonicContact OE1-NH2 3.85Å; E171-R311 PolarHBondContact OE1-NH2 3.04Å; E171-R311 IonicContact OE2-CZ 2.88Å; E171-R311 IonicContact OE2-NH1 3.78Å; E171-R311 IonicContact OE2-NH2 3.75Å; E171-R311 PolarHBondContact OE2-NH2 3.2Å
172C97.1Very high95.4Very high10 Ų1049.6 Ų49.67%0.06828%0.28CS..  trans-113.9113.2-169.7179.40000109.7Q168 L174 Q175 D176Q168-C172 HydrophobicContact CB-CB 4.49Å; Q168-C172 HydrophobicContact CG-CB 4.11Å; Q168-C172 WeakPolarHBondContact O-CB 3.39Å; Q168-C172 PolarHBondContact O-N 3.34Å; C172-L174 PolarHBondContact O-N 3.48Å; C172-Q175 HydrophobicContact CB-CB 3.86Å; C172-Q175 WeakPolarHBondContact O-CA 3.43Å; C172-Q175 WeakPolarHBondContact O-CB 3.42Å; C172-Q175 PolarHBondContact O-N 3.4Å; C172-D176 PolarHBondContact O-N 3.44Å
173D96.1Very high95.3Very high57 Ų5750.8 Ų50.831%0.30529%0.291SS..Hα-helixtrans-42.7-44.7175.5-89.8-24.9000110.9F98 Q177 R220 P266F98-D173 HydrophobicContact CD1-CB 4.04Å; F98-D173 HydrophobicContact CE1-CB 3.91Å; D173-Q177 WeakPolarHBondContact O-CB 3.1Å; D173-Q177 WeakPolarHBondContact O-CG 3.4Å; D173-Q177 PolarHBondContact O-N 3.38Å; D173-R220 IonicContact OD2-CZ 2.59Å; D173-R220 IonicContact OD2-NH1 2.74Å; D173-R220 PolarHBondContact OD2-NH1 2.87Å; D173-R220 IonicContact OD2-NH2 3.69Å; D173-P266 HydrophobicContact CB-CB 3.6Å; D173-P266 WeakPolarHBondContact CB-O 3.36Å; D173-P266 PolarHBondContact N-O 3.01Å; D173-P266 VanDerWaalsContact OD2-CB 3.32Å; D173-P266 WeakPolarHBondContact OD2-CB 3.35Å
174L97.2Very high95.3Very high3 Ų353.6 Ų53.62%0.01630%0.302CS..Hα-helixtrans-68.1-36-178.2-176.166.2000113.4F98 M152 L155 L156 C172 S178 I216 P266 V267F98-L174 HydrophobicContact CE1-CB 4.18Å; F98-L174 HydrophobicContact CE1-CD1 4.21Å; F98-L174 HydrophobicContact CE2-CD1 4.27Å; F98-L174 HydrophobicContact CZ-CB 4.46Å; F98-L174 HydrophobicContact CZ-CD1 3.73Å; M152-L174 HydrophobicContact SD-CD1 3.71Å; L155-L174 HydrophobicContact CB-CD1 4.18Å; L155-L174 HydrophobicContact CD1-CD1 4.28Å; L156-L174 HydrophobicContact CD2-CD1 4.3Å; L156-L174 HydrophobicContact CD2-CD2 4.1Å; L156-L174 HydrophobicContact CD2-CG 4.17Å; C172-L174 PolarHBondContact O-N 3.48Å; L174-S178 WeakPolarHBondContact O-CB 3.42Å; L174-S178 PolarHBondContact O-N 2.8Å; L174-S178 VanDerWaalsContact O-N 3.1Å; L174-I216 HydrophobicContact CD2-CG2 3.94Å; L174-P266 PolarHBondContact N-O 3.03Å; L174-V267 HydrophobicContact CB-CG1 3.67Å; L174-V267 HydrophobicContact CD2-CG1 3.65Å; L174-V267 HydrophobicContact CG-CG1 4.29Å
175Q96.9Very high95.2Very high75 Ų7556.4 Ų56.435%0.3530%0.299SS..Hα-helixtrans-67.7-51.1176.5-178176.3-10.300109.8G170 C172 S178 M179G170-Q175 VanDerWaalsContact N-OE1 3.13Å; C172-Q175 HydrophobicContact CB-CB 3.86Å; C172-Q175 WeakPolarHBondContact O-CA 3.43Å; C172-Q175 WeakPolarHBondContact O-CB 3.42Å; C172-Q175 PolarHBondContact O-N 3.4Å; Q175-S178 WeakPolarHBondContact O-CB 3.32Å; Q175-S178 PolarHBondContact O-N 3.24Å; Q175-M179 WeakPolarHBondContact O-CG 3.46Å; Q175-M179 PolarHBondContact O-N 2.74Å
176D96.8Very high95Very high74 Ų7456 Ų5640%0.39631%0.305SS..Hα-helixtrans-73.3-40.1-172-57.8-25.8000111.4C172 S178 M179 N180C172-D176 PolarHBondContact O-N 3.44Å; D176-S178 VanDerWaalsContact C-N 3.3Å; D176-S178 PolarHBondContact O-N 3.13Å; D176-M179 PolarHBondContact O-N 2.98Å; D176-N180 WeakPolarHBondContact O-CB 3.32Å; D176-N180 PolarHBondContact O-N 3Å; D176-N180 VanDerWaalsContact O-N 3.07Å; D176-N180 PolarHBondContact O-ND2 2.65Å; D176-N180 VanDerWaalsContact O-ND2 3.11Å
177Q96.2Very high94.7Very high19 Ų1964.5 Ų64.59%0.08934%0.336CS..Hα-helixtrans-69.8-26.5173.2-63.6177.244.700112.1P96 R97 F98 M152 D173 F181 G182P96-Q177 HydrophobicContact CB-CG 4.22Å; P96-Q177 VanDerWaalsContact CB-OE1 3.24Å; R97-Q177 PolarHBondContact O-NE2 2.86Å; F98-Q177 HydrophobicContact CE1-CB 4.24Å; F98-Q177 HydrophobicContact CE1-CG 4.37Å; F98-Q177 HydrophobicContact CZ-CB 3.87Å; F98-Q177 HydrophobicContact CZ-CG 4.42Å; M152-Q177 VanDerWaalsContact CE-C 3.41Å; M152-Q177 HydrophobicContact CE-CB 3.87Å; M152-Q177 WeakPolarHBondContact CE-O 3.22Å; D173-Q177 WeakPolarHBondContact O-CB 3.1Å; D173-Q177 WeakPolarHBondContact O-CG 3.4Å; D173-Q177 PolarHBondContact O-N 3.38Å; Q177-F181 HydrophobicContact CB-CD2 4.4Å; Q177-F181 WeakPolarHBondContact O-CA 3.33Å; Q177-F181 WeakPolarHBondContact O-CB 3.46Å; Q177-F181 PolarHBondContact O-N 3.4Å; Q177-G182 PolarHBondContact O-N 3.1Å
178S96.6Very high94.4Very high25 Ų2567.7 Ų67.718%0.17535%0.349CS..Hα-helixtrans-70.6-39.7171.4-1750000112.1L156 L174 Q175 D176 N180 G182L156-S178 WeakPolarHBondContact CD1-OG 3.36Å; L174-S178 WeakPolarHBondContact O-CB 3.42Å; L174-S178 PolarHBondContact O-N 2.8Å; L174-S178 VanDerWaalsContact O-N 3.1Å; Q175-S178 WeakPolarHBondContact O-CB 3.32Å; Q175-S178 PolarHBondContact O-N 3.24Å; D176-S178 VanDerWaalsContact C-N 3.3Å; D176-S178 PolarHBondContact O-N 3.13Å; S178-N180 VanDerWaalsContact C-N 3.32Å; S178-G182 VanDerWaalsContact O-CA 3.25Å; S178-G182 WeakPolarHBondContact O-CA 3.42Å; S178-G182 PolarHBondContact O-N 2.83Å
179M96.3Very high93.7Very high152 Ų15271.9 Ų71.975%0.74938%0.376SS*.Hα-helixtrans-68.7-32.1177.3-68.4-57.8-56.900112.4Q175 D176Q175-M179 WeakPolarHBondContact O-CG 3.46Å; Q175-M179 PolarHBondContact O-N 2.74Å; D176-M179 PolarHBondContact O-N 2.98Å
180N94.9Very high92.6Very high119 Ų11973.7 Ų73.764%0.63639%0.385SS*.Hα-helixtrans-93.9-30.6-175.8-67.4-32.3000114.7D176 S178D176-N180 WeakPolarHBondContact O-CB 3.32Å; D176-N180 PolarHBondContact O-N 3Å; D176-N180 VanDerWaalsContact O-N 3.07Å; D176-N180 PolarHBondContact O-ND2 2.65Å; D176-N180 VanDerWaalsContact O-ND2 3.11Å; S178-N180 VanDerWaalsContact C-N 3.32Å
181F94.9Very high90.9Very high67 Ų6779.2 Ų79.229%0.29441%0.405SS..Hα-helixtrans-135.13.3-172.9-53.6-75.2000114.5P96 M112 R148 Q177P96-F181 HydrophobicContact CB-CD2 3.68Å; P96-F181 HydrophobicContact CB-CE2 3.76Å; P96-F181 HydrophobicContact CB-CG 4.37Å; P96-F181 HydrophobicContact CB-CZ 4.5Å; P96-F181 HydrophobicContact CG-CD1 4.33Å; P96-F181 HydrophobicContact CG-CD2 3.77Å; P96-F181 HydrophobicContact CG-CE1 4.41Å; P96-F181 HydrophobicContact CG-CE2 3.87Å; P96-F181 HydrophobicContact CG-CG 4.01Å; P96-F181 HydrophobicContact CG-CZ 4.19Å; M112-F181 HydrophobicContact CE-CB 3.73Å; M112-F181 HydrophobicContact CE-CG 4.47Å; R148-F181 HydrophobicContact CB-CB 4.32Å; Q177-F181 HydrophobicContact CB-CD2 4.4Å; Q177-F181 WeakPolarHBondContact O-CA 3.33Å; Q177-F181 WeakPolarHBondContact O-CB 3.46Å; Q177-F181 PolarHBondContact O-N 3.4Å
182G93.2Very high89.5Confident21 Ų2187.7 Ų87.722%0.21644%0.435CS..SBendtrans-89.8174.117700000113.5Q177 S178Q177-G182 PolarHBondContact O-N 3.1Å; S178-G182 VanDerWaalsContact O-CA 3.25Å; S178-G182 WeakPolarHBondContact O-CA 3.42Å; S178-G182 PolarHBondContact O-N 2.83Å
183S93.9Very high87.9Confident60 Ų6096.5 Ų96.542%0.4247%0.473SS..  trans-82153165.9-166.20000110.6R185S183-R185 PolarHBondContact O-N 3.09Å
184D95Very high86.7Confident125 Ų12599 Ų9967%0.66849%0.491SS*.SBendtrans-74.1-9.7-17972.9-36.1000114
185R93.7Very high85.9Confident165 Ų165100.6 Ų100.662%0.62351%0.508SS*.SBendtrans-143.8147.1-172.168.4-164.370.7-162.7-1.6113.1S183S183-R185 PolarHBondContact O-N 3.09Å
186S92.2Very high85.6Confident89 Ų89100.6 Ų100.662%0.62251%0.506SS*.  trans-81.6138.1167.9178.30000110.8F188S186-F188 PolarHBondContact OG-N 2.69Å
187R89.8Confident85.3Confident186 Ų186100.1 Ų100.170%0.70250%0.499SS*.  trans-99.1-0.7165.3-51.9-177.5-67.1174.1-2.3112.9E153 V189E153-R187 VanDerWaalsContact OE1-CB 3.3Å; E153-R187 WeakPolarHBondContact OE1-CB 3.38Å; E153-R187 WeakPolarHBondContact OE1-CG 3.32Å; E153-R187 IonicContact OE1-CZ 3.79Å; E153-R187 IonicContact OE1-NE 2.7Å; E153-R187 PolarHBondContact OE1-NE 3.03Å; E153-R187 IonicContact OE1-NH2 3.95Å; E153-R187 IonicContact OE2-CZ 3.75Å; E153-R187 IonicContact OE2-NE 2.72Å; E153-R187 PolarHBondContact OE2-NE 2.63Å; E153-R187 IonicContact OE2-NH2 2.82Å; E153-R187 PolarHBondContact OE2-NH2 3.4Å; R187-V189 PolarHBondContact O-N 2.77Å
188F87.2Confident85.1Confident73 Ų73103.2 Ų103.232%0.3253%0.528SS..  trans-75.189.2-179.2-175.1-106.3000111.2V157 S186 D190 K196V157-F188 HydrophobicContact CG1-CD2 3.75Å; V157-F188 HydrophobicContact CG1-CE2 3.98Å; V157-F188 HydrophobicContact CG1-CG 4.19Å; V157-F188 HydrophobicContact CG2-CB 4.16Å; V157-F188 HydrophobicContact CG2-CD2 4.38Å; V157-F188 HydrophobicContact CG2-CG 4.46Å; S186-F188 PolarHBondContact OG-N 2.69Å; F188-D190 HydrophobicContact CE1-CB 4.12Å; F188-D190 HydrophobicContact CZ-CB 4.13Å; F188-K196 HydrophobicContact CE1-CG 4.14Å
189V80.1Confident85Confident113 Ų113102.9 Ų102.969%0.68553%0.525SS*.  trans-96.6116163-175.30000107.5R187 I191R187-V189 PolarHBondContact O-N 2.77Å; V189-I191 VanDerWaalsContact C-N 3.32Å; V189-I191 HydrophobicContact CG1-CG1 4.29Å; V189-I191 PolarHBondContact O-N 2.96Å
190D69.8Low84.8Confident44 Ų44103.4 Ų103.424%0.23553%0.525CS..  trans-77.182.2177.3170.233.6000110.7F188 R192 F193 T194 G195F188-D190 HydrophobicContact CE1-CB 4.12Å; F188-D190 HydrophobicContact CZ-CB 4.13Å; D190-R192 PolarHBondContact O-N 3.4Å; D190-R192 PolarHBondContact OD1-N 2.95Å; D190-F193 PolarHBondContact O-N 2.98Å; D190-F193 PolarHBondContact OD1-N 2.96Å; D190-F193 WeakPolarHBondContact OD2-CA 3.49Å; D190-F193 PolarHBondContact OD2-N 3.34Å; D190-T194 VanDerWaalsContact CG-N 3.27Å; D190-T194 PolarHBondContact OD1-N 2.91Å; D190-T194 PolarHBondContact OD1-OG1 3.38Å; D190-T194 PolarHBondContact OD2-N 3.02Å; D190-G195 PolarHBondContact OD2-N 3.31Å
191I57Low84.8Confident148 Ų148101.6 Ų101.676%0.75952%0.516SS*.THydrogen-bonded Turntrans-61.2-10.5-179.4-64.1162.3000112.5V189V189-I191 VanDerWaalsContact C-N 3.32Å; V189-I191 HydrophobicContact CG1-CG1 4.29Å; V189-I191 PolarHBondContact O-N 2.96Å
192R65.1Low84.7Confident216 Ų216100 Ų10082%0.81551%0.509SS*.THydrogen-bonded Turntrans-116.25-174.1-65-172.4176.9-170.3-0.8114.7D190 T194D190-R192 PolarHBondContact O-N 3.4Å; D190-R192 PolarHBondContact OD1-N 2.95Å; R192-T194 HydrophobicContact CB-CG2 3.87Å; R192-T194 PolarHBondContact O-N 3.25Å
193F63.5Low84.7Confident196 Ų196102.6 Ų102.686%0.8652%0.518SS*.SBendtrans53.930.8-175.3-54.6-84.1000113.4D190D190-F193 PolarHBondContact O-N 2.98Å; D190-F193 PolarHBondContact OD1-N 2.96Å; D190-F193 WeakPolarHBondContact OD2-CA 3.49Å; D190-F193 PolarHBondContact OD2-N 3.34Å
194T70Confident84.6Confident110 Ų110100.1 Ų100.168%0.67550%0.5SS*.  trans-83.8-13179.150.30000114.2D190 R192D190-T194 VanDerWaalsContact CG-N 3.27Å; D190-T194 PolarHBondContact OD1-N 2.91Å; D190-T194 PolarHBondContact OD1-OG1 3.38Å; D190-T194 PolarHBondContact OD2-N 3.02Å; R192-T194 HydrophobicContact CB-CG2 3.87Å; R192-T194 PolarHBondContact O-N 3.25Å
195G81.1Confident84.5Confident36 Ų3694.4 Ų94.437%0.37147%0.47SS..  trans73.3178.7-178.700000114.6D190D190-G195 PolarHBondContact OD2-N 3.31Å
196K90.6Very high84.6Confident74 Ų7488.1 Ų88.132%0.32245%0.451SS..SBendtrans-75.4147.9155.3-69.2170.6168.3-80.10107.7L156 V157 H159 L161 F188L156-K196 PolarHBondContact O-NZ 2.62Å; V157-K196 PolarHBondContact O-NZ 3.2Å; H159-K196 WeakPolarHBondContact O-CD 3.48Å; H159-K196 WeakPolarHBondContact O-CE 3.39Å; H159-K196 PolarHBondContact O-NZ 2.88Å; L161-K196 HydrophobicContact CD1-CD 4.25Å; F188-K196 HydrophobicContact CE1-CG 4.14Å
197R90.7Very high84.8Confident64 Ų6484.2 Ų84.224%0.24242%0.423CS..  trans-60.9142.5171.773-176.8173.7155.2-0.6110.7N158 H217 S241N158-R197 HydrophobicContact CB-CG 4.14Å; N158-R197 WeakPolarHBondContact OD1-CG 3.34Å; N158-R197 PolarHBondContact OD1-N 2.82Å; N158-R197 VanDerWaalsContact OD1-N 3.14Å; R197-H217 PolarHBondContact NH1-CE1 2.79Å; R197-H217 PolarHBondContact NH2-CE1 2.88Å; R197-H217 PolarHBondContact NH2-ND1 3.16Å; R197-S241 WeakPolarHBondContact CD-O 3.37Å; R197-S241 PolarHBondContact NH1-O 2.88Å
198A92.1Very high85.1Confident85 Ų8575.4 Ų75.470%0.70239%0.39SS*.  trans-109.3154.9162.300000109.3
199V93.3Very high85.5Confident18 Ų1873.3 Ų73.311%0.10938%0.381CS..  trans-135.6135.5178.4-176.30000108.2M212 T213 Q244V199-M212 HydrophobicContact CB-CB 4.2Å; V199-M212 HydrophobicContact CG1-CB 3.79Å; V199-T213 PolarHBondContact N-OG1 3.23Å; V199-T213 PolarHBondContact O-OG1 3.02Å; V199-Q244 HydrophobicContact CG1-CB 4.46Å; V199-Q244 HydrophobicContact CG1-CG 3.84Å
200E93.2Very high86.3Confident162 Ų16268.6 Ų68.676%0.75735%0.352SS*.  trans-64.8142.7176.8-174.9171.8-160.800112.2M212E200-M212 WeakPolarHBondContact O-CB 3.48Å
201D94Very high87.6Confident82 Ų8267.9 Ų67.944%0.43935%0.348SS..  trans-89.5114.5-174.3-67.8-22.2000111I211 M212D201-I211 VanDerWaalsContact OD1-CA 3.23Å; D201-I211 WeakPolarHBondContact OD1-CA 3.24Å; D201-M212 PolarHBondContact OD1-N 2.96Å
202K92.3Very high89.4Confident33 Ų3361 Ų6114%0.14331%0.312CS..  trans-84.6135-172.5-62.9-175.9174.5-174.40112.8L204 T210 I245 T247K202-L204 PolarHBondContact O-N 3.28Å; K202-T210 PolarHBondContact N-OG1 2.79Å; K202-T210 WeakPolarHBondContact O-CB 3.47Å; K202-T210 WeakPolarHBondContact O-CG2 3.4Å; K202-T210 PolarHBondContact O-OG1 3.43Å; K202-I245 PolarHBondContact NZ-O 2.92Å; K202-T247 PolarHBondContact NZ-O 2.97Å
203N93.4Very high90.8Very high76 Ų7652 Ų5241%0.40628%0.282SS..  trans-80.780.7-175.7-177.931.2000113.4G205 D250N203-G205 PolarHBondContact O-N 3.45Å; N203-G205 PolarHBondContact OD1-N 3.05Å; N203-D250 WeakPolarHBondContact CB-OD1 3.43Å
204L93.4Very high92.4Very high7 Ų742.8 Ų42.84%0.03724%0.241CC..  trans-72.218.3176.2-59.7-176.6000115K202 I208 T210 L234 T247 F253 L270K202-L204 PolarHBondContact O-N 3.28Å; L204-I208 HydrophobicContact CB-CB 4.34Å; L204-I208 HydrophobicContact CD1-CG2 4.41Å; L204-T210 HydrophobicContact CB-CG2 4.2Å; L204-T210 HydrophobicContact CD1-CG2 3.57Å; L204-T210 HydrophobicContact CG-CG2 3.66Å; L204-L234 HydrophobicContact CD1-CD2 3.85Å; L204-L234 HydrophobicContact CD2-CD2 3.64Å; L204-L234 HydrophobicContact CG-CD2 4.41Å; L204-T247 HydrophobicContact CD2-CG2 4.38Å; L204-F253 HydrophobicContact CB-CB 4.26Å; L204-F253 HydrophobicContact CD2-CB 4.35Å; L204-F253 PolarHBondContact O-N 2.96Å; L204-L270 HydrophobicContact CD1-CD2 4.07Å
205G92.8Very high93.7Very high5 Ų538 Ų385%0.05221%0.213CC..  trans98.4-172.2175.300000115.6N203 L207 K273N203-G205 PolarHBondContact O-N 3.45Å; N203-G205 PolarHBondContact OD1-N 3.05Å; G205-L207 PolarHBondContact O-N 3.45Å; G205-K273 PolarHBondContact O-NZ 3.17Å
206P94.8Very high94.4Very high34 Ų3437.2 Ų37.222%0.22120%0.199CC..SBendtrans-74.6-18.8-168.527.9-34.4000114.8K758 C759 A762P206-K758 HydrophobicContact CB-CB 4.32Å; P206-C759 HydrophobicContact CG-CB 4.43Å; P206-A762 HydrophobicContact CG-CB 3.81Å
207L96.3Very high94.6Very high6 Ų635.2 Ų35.23%0.03119%0.191CC..SBendtrans-89.6-43.2-175.6-64.1179.4000113.2G205 K273 P274 D327 F331 T755 M756 C759G205-L207 PolarHBondContact O-N 3.45Å; L207-K273 WeakPolarHBondContact O-CB 3.28Å; L207-K273 PolarHBondContact O-N 3.3Å; L207-P274 WeakPolarHBondContact O-CD 3.49Å; L207-D327 HydrophobicContact CD1-CB 4.08Å; L207-F331 HydrophobicContact CB-CD2 4.43Å; L207-F331 HydrophobicContact CB-CE2 3.88Å; L207-F331 HydrophobicContact CB-CZ 3.99Å; L207-F331 HydrophobicContact CD1-CD2 3.84Å; L207-F331 HydrophobicContact CD1-CE2 3.76Å; L207-F331 HydrophobicContact CD2-CB 4.13Å; L207-F331 HydrophobicContact CD2-CD1 4.17Å; L207-F331 HydrophobicContact CD2-CD2 3.48Å; L207-F331 VanDerWaalsContact CD2-CD2 3.48Å; L207-F331 HydrophobicContact CD2-CE1 4.43Å; L207-F331 HydrophobicContact CD2-CE2 3.81Å; L207-F331 HydrophobicContact CD2-CG 3.68Å; L207-F331 HydrophobicContact CD2-CZ 4.27Å; L207-F331 HydrophobicContact CG-CD2 4.1Å; L207-F331 HydrophobicContact CG-CE2 4.01Å; L207-T755 HydrophobicContact CD2-CG2 3.62Å; L207-M756 HydrophobicContact CD2-CE 4.49Å; L207-C759 WeakPolarHBondContact CD2-SG 3.08Å
208I96.5Very high94.8Very high1 Ų132.4 Ų32.41%0.00518%0.181CC..EExtended strand (participates in β ladder)trans-101.1125.3-173.2-57.7154.4000109.7L204 T210 F253 V261 I262 L270 K273L204-I208 HydrophobicContact CB-CB 4.34Å; L204-I208 HydrophobicContact CD1-CG2 4.41Å; I208-T210 HydrophobicContact CG2-CG2 4.48Å; I208-F253 HydrophobicContact CD1-CD1 3.9Å; I208-V261 HydrophobicContact CD1-CG2 3.6Å; I208-V261 HydrophobicContact CG1-CG2 4.12Å; I208-V261 HydrophobicContact CG2-CG2 4.48Å; I208-I262 HydrophobicContact CG1-CD1 4.24Å; I208-I262 HydrophobicContact CG1-CG1 4.41Å; I208-L270 HydrophobicContact CG2-CB 4.24Å; I208-L270 HydrophobicContact CG2-CD2 4.1Å; I208-K273 WeakPolarHBondContact O-CE 3.47Å; I208-K273 PolarHBondContact O-NZ 3.46Å; I208-K273 VanDerWaalsContact O-NZ 3.11Å
209K95.5Very high95Very high30 Ų3029.1 Ų29.113%0.1315%0.152CC..EExtended strand (participates in β ladder)trans-94.7119.5168.6178.2-179.3168.4-159.40107.8D167 L270 T271 K273 A276D167-K209 IonicContact OD1-NZ 3.47Å; D167-K209 IonicContact OD2-NZ 3.94Å; D167-K209 PolarHBondContact OD2-NZ 2.73Å; K209-L270 WeakPolarHBondContact O-CA 3.29Å; K209-T271 PolarHBondContact N-O 2.83Å; K209-T271 PolarHBondContact O-N 2.89Å; K209-K273 HydrophobicContact CB-CB 3.87Å; K209-K273 HydrophobicContact CB-CG 4.19Å; K209-A276 HydrophobicContact CD-CB 3.77Å
210T96Very high95.1Very high14 Ų1428.9 Ų28.99%0.08615%0.15CC..EExtended strand (participates in β ladder)trans-92.314017455.10000109.5K202 L204 I208 M212 A269 L270K202-T210 PolarHBondContact N-OG1 2.79Å; K202-T210 WeakPolarHBondContact O-CB 3.47Å; K202-T210 WeakPolarHBondContact O-CG2 3.4Å; K202-T210 PolarHBondContact O-OG1 3.43Å; L204-T210 HydrophobicContact CB-CG2 4.2Å; L204-T210 HydrophobicContact CD1-CG2 3.57Å; L204-T210 HydrophobicContact CG-CG2 3.66Å; I208-T210 HydrophobicContact CG2-CG2 4.48Å; T210-M212 HydrophobicContact CG2-SD 4.13Å; T210-A269 CarbonylContact C-O 3.6Å; T210-A269 WeakPolarHBondContact CA-O 3.31Å; T210-L270 HydrophobicContact CG2-CD2 3.84Å
211I96.8Very high95.3Very high28 Ų2821.6 Ų21.614%0.14412%0.116CC..  trans-134.384.6157.7-61.7-176.5000106.6D201 T213 R214 A269D201-I211 VanDerWaalsContact OD1-CA 3.23Å; D201-I211 WeakPolarHBondContact OD1-CA 3.24Å; I211-T213 VanDerWaalsContact C-N 3.28Å; I211-T213 PolarHBondContact O-N 3.43Å; I211-R214 HydrophobicContact CG2-CG 4.05Å; I211-R214 WeakPolarHBondContact O-CB 3.37Å; I211-R214 PolarHBondContact O-N 2.94Å; I211-R214 VanDerWaalsContact O-N 3.11Å; I211-A269 PolarHBondContact N-O 2.78Å; I211-A269 WeakPolarHBondContact O-CA 3.47Å
212M95.5Very high95.4Very high3 Ų318.5 Ų18.52%0.01510%0.101CC..G310 helixtrans-69.6-24-163-67.6-53-54.500113.2V199 E200 D201 T210 R214 C215 I245 L270V199-M212 HydrophobicContact CB-CB 4.2Å; V199-M212 HydrophobicContact CG1-CB 3.79Å; E200-M212 WeakPolarHBondContact O-CB 3.48Å; D201-M212 PolarHBondContact OD1-N 2.96Å; T210-M212 HydrophobicContact CG2-SD 4.13Å; M212-R214 PolarHBondContact O-N 3.34Å; M212-C215 HydrophobicContact CE-CB 4.06Å; M212-C215 WeakPolarHBondContact O-CB 3.45Å; M212-C215 PolarHBondContact O-N 2.86Å; M212-I245 HydrophobicContact CE-CB 3.91Å; M212-I245 HydrophobicContact CE-CG2 4.21Å; M212-I245 WeakPolarHBondContact CE-O 3.28Å; M212-L270 HydrophobicContact SD-CD2 4.41Å
213T95.9Very high95.6Very high28 Ų2817.8 Ų17.817%0.17210%0.097CC..G310 helixtrans-56.7-29.3171.7-62.80000112.2P160 V199 I211 C215P160-T213 HydrophobicContact CB-CG2 4.03Å; P160-T213 WeakPolarHBondContact CD-O 3.33Å; P160-T213 HydrophobicContact CG-CG2 3.91Å; V199-T213 PolarHBondContact N-OG1 3.23Å; V199-T213 PolarHBondContact O-OG1 3.02Å; I211-T213 VanDerWaalsContact C-N 3.28Å; I211-T213 PolarHBondContact O-N 3.43Å; T213-C215 VanDerWaalsContact C-N 3.29Å; T213-C215 PolarHBondContact O-N 2.73Å
214R96.6Very high95.7Very high2 Ų214.1 Ų14.11%0.0088%0.078CC..G310 helixtrans-77.1-10.6176.5-61.6165.8-173.3175.3-0.5113.8H159 P160 D162 I165 I211 M212 I216 G268 A269H159-R214 PolarHBondContact CE1-O 2.96Å; H159-R214 PolarHBondContact ND1-O 3.39Å; P160-R214 HydrophobicContact CG-CB 4.39Å; P160-R214 HydrophobicContact CG-CG 3.64Å; D162-R214 HydrophobicContact CB-CG 4.34Å; D162-R214 IonicContact OD2-CZ 3.3Å; D162-R214 IonicContact OD2-NE 2.68Å; D162-R214 PolarHBondContact OD2-NE 3.45Å; D162-R214 IonicContact OD2-NH2 3.09Å; D162-R214 PolarHBondContact OD2-NH2 2.71Å; I165-R214 PolarHBondContact O-NH2 2.73Å; I165-R214 VanDerWaalsContact O-NH2 3.09Å; I211-R214 HydrophobicContact CG2-CG 4.05Å; I211-R214 WeakPolarHBondContact O-CB 3.37Å; I211-R214 PolarHBondContact O-N 2.94Å; I211-R214 VanDerWaalsContact O-N 3.11Å; M212-R214 PolarHBondContact O-N 3.34Å; R214-I216 PolarHBondContact O-N 2.83Å; R214-G268 WeakPolarHBondContact CD-O 3.3Å; R214-G268 PolarHBondContact NH1-O 2.72Å; R214-A269 HydrophobicContact CB-CB 3.86Å
215C96.7Very high95.9Very high11 Ų1113.8 Ų13.87%0.0748%0.076CC..  trans-68.4128.1-170.7-167.60000112M212 T213 H217 A269M212-C215 HydrophobicContact CE-CB 4.06Å; M212-C215 WeakPolarHBondContact O-CB 3.45Å; M212-C215 PolarHBondContact O-N 2.86Å; T213-C215 VanDerWaalsContact C-N 3.29Å; T213-C215 PolarHBondContact O-N 2.73Å; C215-H217 VanDerWaalsContact C-N 3.32Å; C215-H217 PolarHBondContact O-CE1 2.86Å; C215-H217 PolarHBondContact O-ND1 3.46Å; C215-H217 PolarHBondContact SG-N 2.98Å; C215-H217 VanDerWaalsContact SG-N 3.43Å; C215-A269 HydrophobicContact CB-CB 4.09Å
216I95.7Very high96Very high18 Ų1816.8 Ų16.89%0.0929%0.091CC..  trans-91.211173.760165000113.9F98 L155 L174 R214 C218 P266 V267F98-I216 HydrophobicContact CB-CD1 3.79Å; F98-I216 HydrophobicContact CD1-CD1 3.91Å; F98-I216 HydrophobicContact CD2-CD1 4.29Å; F98-I216 HydrophobicContact CG-CD1 3.75Å; L155-I216 HydrophobicContact CD2-CB 4.03Å; L155-I216 HydrophobicContact CD2-CG2 4.26Å; L174-I216 HydrophobicContact CD2-CG2 3.94Å; R214-I216 PolarHBondContact O-N 2.83Å; I216-C218 HydrophobicContact CD1-CB 4.4Å; I216-C218 HydrophobicContact CG1-CB 4.2Å; I216-C218 PolarHBondContact O-N 2.89Å; I216-C218 VanDerWaalsContact O-N 3.13Å; I216-P266 HydrophobicContact CD1-CB 4.29Å; I216-P266 HydrophobicContact CD1-CG 3.74Å; I216-P266 HydrophobicContact CG1-CG 4.09Å; I216-V267 HydrophobicContact CD1-CG1 4.27Å; I216-V267 HydrophobicContact CG1-CG1 4.17Å; I216-V267 HydrophobicContact CG1-CG2 4.24Å; I216-V267 HydrophobicContact CG2-CG1 4.06Å
217H94.6Very high96Very high32 Ų3217.1 Ų17.115%0.1489%0.089CC..  trans58.729.8171-57.171.4000114R197 C215 T219 L243R197-H217 PolarHBondContact NH1-CE1 2.79Å; R197-H217 PolarHBondContact NH2-CE1 2.88Å; R197-H217 PolarHBondContact NH2-ND1 3.16Å; C215-H217 VanDerWaalsContact C-N 3.32Å; C215-H217 PolarHBondContact O-CE1 2.86Å; C215-H217 PolarHBondContact O-ND1 3.46Å; C215-H217 PolarHBondContact SG-N 2.98Å; C215-H217 VanDerWaalsContact SG-N 3.43Å; H217-T219 PolarHBondContact O-N 3.05Å; H217-L243 PolarHBondContact CD2-O 3.08Å; H217-L243 PolarHBondContact NE2-O 2.89Å
218C95.6Very high96Very high5 Ų517.8 Ų17.83%0.0349%0.092CC..  trans-73.2-6.9-178.862.80000114.6F98 C99 I216 R220 R223 P266F98-C218 WeakPolarHBondContact O-CB 3.42Å; C99-C218 HydrophobicContact CB-CB 4.17Å; C99-C218 VanDerWaalsContact CB-O 3.27Å; C99-C218 WeakPolarHBondContact CB-O 3.48Å; I216-C218 HydrophobicContact CD1-CB 4.4Å; I216-C218 HydrophobicContact CG1-CB 4.2Å; I216-C218 PolarHBondContact O-N 2.89Å; I216-C218 VanDerWaalsContact O-N 3.13Å; C218-R220 PolarHBondContact O-N 2.83Å; C218-R220 VanDerWaalsContact O-N 3.09Å; C218-R223 PolarHBondContact O-NH2 3.37Å; C218-P266 HydrophobicContact CB-CG 4.45Å
219T95.9Very high95.9Very high16 Ų1617.7 Ų17.710%0.0989%0.092CC..  trans53.824.8177.659.20000115.5N109 H217 R223 T236 I245N109-T219 PolarHBondContact ND2-OG1 2.94Å; H217-T219 PolarHBondContact O-N 3.05Å; T219-R223 PolarHBondContact O-N 3.29Å; T219-R223 PolarHBondContact O-NE 2.86Å; T219-R223 PolarHBondContact O-NH2 2.63Å; T219-T236 HydrophobicContact CG2-CG2 3.94Å; T219-I245 HydrophobicContact CG2-CD1 4.18Å
220R96.6Very high95.8Very high13 Ų1316.8 Ų16.85%0.0499%0.091CC..Hα-helixtrans-63.7-52172.1-82.3-174.9-178.8155.14.4111.3F98 C99 Y100 L104 D173 C218 V222 R223 F224 L264F98-R220 VanDerWaalsContact O-CZ 3.28Å; F98-R220 PolarHBondContact O-NE 3.28Å; F98-R220 VanDerWaalsContact O-NE 3.15Å; C99-R220 WeakPolarHBondContact O-CG 3.48Å; Y100-R220 PolarHBondContact O-NE 3.18Å; Y100-R220 VanDerWaalsContact O-NE 3.15Å; Y100-R220 PolarHBondContact O-NH2 3.28Å; L104-R220 HydrophobicContact CD1-CB 4.45Å; D173-R220 IonicContact OD2-CZ 2.59Å; D173-R220 IonicContact OD2-NH1 2.74Å; D173-R220 PolarHBondContact OD2-NH1 2.87Å; D173-R220 IonicContact OD2-NH2 3.69Å; C218-R220 PolarHBondContact O-N 2.83Å; C218-R220 VanDerWaalsContact O-N 3.09Å; R220-V222 PolarHBondContact O-N 3.32Å; R220-R223 VanDerWaalsContact CA-NH2 3.31Å; R220-R223 PolarHBondContact O-N 2.83Å; R220-F224 PolarHBondContact O-N 3.25Å; R220-L264 WeakPolarHBondContact CD-O 3.42Å; R220-L264 PolarHBondContact NH1-O 3.35Å; R220-L264 VanDerWaalsContact NH1-O 3.11Å
221C96.2Very high95.6Very high9 Ų917.2 Ų17.26%0.0619%0.093CC..Hα-helixtrans-62.2-38.3179.952.20000114.1F224 A225 L234 V261 L270C221-F224 PolarHBondContact O-N 2.78Å; C221-A225 WeakPolarHBondContact O-CB 3.45Å; C221-A225 PolarHBondContact O-N 2.61Å; C221-L234 HydrophobicContact CB-CD1 4.31Å; C221-V261 HydrophobicContact CB-CB 4.04Å; C221-V261 HydrophobicContact CB-CG1 4.12Å; C221-L270 HydrophobicContact CB-CD1 3.73Å
222V96.5Very high95.4Very high18 Ų1820.8 Ų20.811%0.10912%0.118CC..Hα-helixtrans-62.2-46175.6170.90000111.2R220 A225 N226 L234 I245R220-V222 PolarHBondContact O-N 3.32Å; V222-A225 PolarHBondContact O-N 3.42Å; V222-N226 VanDerWaalsContact O-CG 3.3Å; V222-N226 PolarHBondContact O-N 3.29Å; V222-N226 PolarHBondContact O-OD1 2.91Å; V222-L234 WeakPolarHBondContact CG1-O 3.21Å; V222-I245 HydrophobicContact CG2-CD1 4.47Å; V222-I245 HydrophobicContact CG2-CG1 4.43Å; V222-I245 HydrophobicContact CG2-CG2 4.11Å
223R95.9Very high95.2Very high17 Ų1722.5 Ų22.56%0.06413%0.127CC..Hα-helixtrans-63.9-48.4174.8-80.5177-72.2134.55111.8C99 L104 S105 C218 T219 R220 A225 N226 E227C99-R223 PolarHBondContact O-NH1 2.95Å; C99-R223 PolarHBondContact O-NH2 2.89Å; L104-R223 HydrophobicContact CD1-CB 4.47Å; S105-R223 WeakPolarHBondContact O-CD 3.2Å; S105-R223 PolarHBondContact O-NH1 3.31Å; S105-R223 WeakPolarHBondContact OG-CD 3.37Å; C218-R223 PolarHBondContact O-NH2 3.37Å; T219-R223 PolarHBondContact O-N 3.29Å; T219-R223 PolarHBondContact O-NE 2.86Å; T219-R223 PolarHBondContact O-NH2 2.63Å; R220-R223 VanDerWaalsContact CA-NH2 3.31Å; R220-R223 PolarHBondContact O-N 2.83Å; R223-A225 VanDerWaalsContact C-N 3.29Å; R223-A225 PolarHBondContact O-N 2.82Å; R223-N226 PolarHBondContact O-N 2.77Å; R223-N226 VanDerWaalsContact O-N 3.12Å; R223-E227 VanDerWaalsContact CB-OE1 3.31Å; R223-E227 WeakPolarHBondContact CB-OE1 3.36Å; R223-E227 WeakPolarHBondContact CG-OE1 3.41Å; R223-E227 WeakPolarHBondContact O-CB 3.25Å; R223-E227 VanDerWaalsContact O-CG 3.31Å; R223-E227 WeakPolarHBondContact O-CG 3.38Å; R223-E227 PolarHBondContact O-N 2.8Å
224F96.9Very high95.2Very high0 Ų021.2 Ų21.20%012%0.119CC..Hα-helixtrans-56.4-41.1176.5177.6-92.8000113.2L104 R220 C221 N226 I228 A229 L257 N260 V261 L264 W324L104-F224 HydrophobicContact CD1-CB 4.29Å; L104-F224 HydrophobicContact CD2-CB 4.03Å; L104-F224 HydrophobicContact CD2-CD2 4.37Å; R220-F224 PolarHBondContact O-N 3.25Å; C221-F224 PolarHBondContact O-N 2.78Å; F224-N226 PolarHBondContact O-N 3.49Å; F224-I228 HydrophobicContact CD2-CB 3.78Å; F224-I228 HydrophobicContact CD2-CD1 4.09Å; F224-I228 HydrophobicContact CD2-CG1 4.34Å; F224-I228 HydrophobicContact CD2-CG2 4.2Å; F224-I228 HydrophobicContact CE2-CB 3.7Å; F224-I228 HydrophobicContact CE2-CD1 4.32Å; F224-I228 HydrophobicContact CE2-CG2 3.59Å; F224-I228 HydrophobicContact CZ-CB 4.38Å; F224-I228 HydrophobicContact CZ-CG2 4.16Å; F224-I228 PolarHBondContact O-N 2.88Å; F224-A229 HydrophobicContact CD1-CB 4.21Å; F224-A229 HydrophobicContact CE1-CB 3.75Å; F224-A229 HydrophobicContact CZ-CB 4.34Å; F224-A229 PolarHBondContact O-N 2.72Å; F224-L257 WeakPolarHBondContact CE1-O 3.42Å; F224-L257 HydrophobicContact CZ-CB 4.32Å; F224-N260 HydrophobicContact CE1-CB 3.95Å; F224-N260 HydrophobicContact CE2-CB 3.97Å; F224-N260 HydrophobicContact CZ-CB 3.48Å; F224-N260 VanDerWaalsContact CZ-CB 3.48Å; F224-V261 HydrophobicContact CD1-CG1 3.59Å; F224-V261 HydrophobicContact CE1-CG1 4.12Å; F224-V261 HydrophobicContact CG-CG1 4.48Å; F224-L264 HydrophobicContact CB-CD1 3.47Å; F224-L264 VanDerWaalsContact CB-CD1 3.47Å; F224-L264 HydrophobicContact CD1-CD1 4.17Å; F224-L264 HydrophobicContact CD2-CD1 3.44Å; F224-L264 VanDerWaalsContact CD2-CD1 3.44Å; F224-L264 HydrophobicContact CE2-CD1 4.24Å; F224-L264 HydrophobicContact CG-CD1 3.4Å; F224-L264 VanDerWaalsContact CG-CD1 3.4Å; F224-W324 HydrophobicContact CD2-CE3 4.34Å; F224-W324 AromaticContact CD2-CH2 3.77Å; F224-W324 HydrophobicContact CD2-CH2 3.77Å; F224-W324 HydrophobicContact CD2-CZ2 4.35Å; F224-W324 AromaticContact CD2-CZ3 3.79Å; F224-W324 HydrophobicContact CD2-CZ3 3.79Å; F224-W324 HydrophobicContact CE2-CD2 4.08Å; F224-W324 AromaticContact CE2-CE3 3.69Å; F224-W324 HydrophobicContact CE2-CE3 3.69Å; F224-W324 AromaticContact CE2-CH2 3.91Å; F224-W324 HydrophobicContact CE2-CH2 3.91Å; F224-W324 HydrophobicContact CE2-CZ2 4.29Å; F224-W324 AromaticContact CE2-CZ3 3.61Å; F224-W324 HydrophobicContact CE2-CZ3 3.61Å
225A96Very high95.1Very high0 Ų022.4 Ų22.40%013%0.131CC..Hα-helixtrans-60.7-43.2176.800000112.3C221 V222 R223 G230 I231 L234 F253C221-A225 WeakPolarHBondContact O-CB 3.45Å; C221-A225 PolarHBondContact O-N 2.61Å; V222-A225 PolarHBondContact O-N 3.42Å; R223-A225 VanDerWaalsContact C-N 3.29Å; R223-A225 PolarHBondContact O-N 2.82Å; A225-G230 CarbonylContact O-C 3.36Å; A225-G230 WeakPolarHBondContact O-CA 3.34Å; A225-G230 PolarHBondContact O-N 3.26Å; A225-I231 CarbonylContact O-C 3.5Å; A225-I231 PolarHBondContact O-N 2.84Å; A225-L234 HydrophobicContact CB-CB 3.89Å; A225-L234 HydrophobicContact CB-CD1 4.14Å; A225-L234 HydrophobicContact CB-CG 4.2Å; A225-F253 HydrophobicContact CB-CE2 3.96Å; A225-F253 HydrophobicContact CB-CZ 3.83Å
226N95Very high95Very high68 Ų6825.3 Ų25.336%0.36415%0.149SC..Hα-helixtrans-77.7-42.2179.8-62.2-8.7000112.9V222 R223 F224 P232 R464V222-N226 VanDerWaalsContact O-CG 3.3Å; V222-N226 PolarHBondContact O-N 3.29Å; V222-N226 PolarHBondContact O-OD1 2.91Å; R223-N226 PolarHBondContact O-N 2.77Å; R223-N226 VanDerWaalsContact O-N 3.12Å; F224-N226 PolarHBondContact O-N 3.49Å; N226-P232 VanDerWaalsContact OD1-CA 3.32Å; N226-P232 WeakPolarHBondContact OD1-CA 3.33Å; N226-P232 WeakPolarHBondContact OD1-CB 3.41Å; N226-R464 PolarHBondContact O-NH2 3.21Å
227E94.8Very high94.9Very high41 Ų4126 Ų2619%0.19215%0.154CC..Hα-helixtrans-86.4-44.4-168.3-67.7161.9-156.500111.8L104 S105 R223 R464 I468L104-E227 WeakPolarHBondContact CA-OE2 3.47Å; S105-E227 VanDerWaalsContact CB-OE1 3.24Å; S105-E227 WeakPolarHBondContact CB-OE1 3.36Å; S105-E227 PolarHBondContact N-OE2 2.92Å; S105-E227 PolarHBondContact OG-OE1 3.43Å; R223-E227 VanDerWaalsContact CB-OE1 3.31Å; R223-E227 WeakPolarHBondContact CB-OE1 3.36Å; R223-E227 WeakPolarHBondContact CG-OE1 3.41Å; R223-E227 WeakPolarHBondContact O-CB 3.25Å; R223-E227 VanDerWaalsContact O-CG 3.31Å; R223-E227 WeakPolarHBondContact O-CG 3.38Å; R223-E227 PolarHBondContact O-N 2.8Å; E227-R464 WeakPolarHBondContact O-CD 3.23Å; E227-R464 PolarHBondContact O-NE 3.42Å; E227-I468 WeakPolarHBondContact O-CD1 2.92Å
228I95.8Very high94.8Very high19 Ų1927.3 Ų27.310%0.09718%0.176CC..THydrogen-bonded Turntrans-116.9-46.4-167.5-58.6-175.6000113R103 L104 F224 G230 W324 A461 R464R103-I228 WeakPolarHBondContact O-CD1 3.15Å; L104-I228 HydrophobicContact CD2-CD1 3.75Å; L104-I228 HydrophobicContact CD2-CG1 4.21Å; F224-I228 HydrophobicContact CD2-CB 3.78Å; F224-I228 HydrophobicContact CD2-CD1 4.09Å; F224-I228 HydrophobicContact CD2-CG1 4.34Å; F224-I228 HydrophobicContact CD2-CG2 4.2Å; F224-I228 HydrophobicContact CE2-CB 3.7Å; F224-I228 HydrophobicContact CE2-CD1 4.32Å; F224-I228 HydrophobicContact CE2-CG2 3.59Å; F224-I228 HydrophobicContact CZ-CB 4.38Å; F224-I228 HydrophobicContact CZ-CG2 4.16Å; F224-I228 PolarHBondContact O-N 2.88Å; I228-G230 VanDerWaalsContact C-N 3.27Å; I228-W324 HydrophobicContact CD1-CH2 3.98Å; I228-W324 HydrophobicContact CD1-CZ2 3.21Å; I228-A461 HydrophobicContact CG2-CB 4.15Å; I228-R464 WeakPolarHBondContact O-CD 3.41Å
229A95Very high94.7Very high0 Ų037.3 Ų37.30%021%0.213CC..SBendtrans-75.4-19.8172.800000112.4F224 I231 F253F224-A229 HydrophobicContact CD1-CB 4.21Å; F224-A229 HydrophobicContact CE1-CB 3.75Å; F224-A229 HydrophobicContact CZ-CB 4.34Å; F224-A229 PolarHBondContact O-N 2.72Å; A229-I231 VanDerWaalsContact C-N 3.3Å; A229-I231 PolarHBondContact O-N 2.69Å; A229-F253 HydrophobicContact CB-CZ 4.2Å
230G93.8Very high94.5Very high10 Ų1039.6 Ų39.610%0.10324%0.24CC..  trans66.720.4174.300000116.8A225 I228 R464A225-G230 CarbonylContact O-C 3.36Å; A225-G230 WeakPolarHBondContact O-CA 3.34Å; A225-G230 PolarHBondContact O-N 3.26Å; I228-G230 VanDerWaalsContact C-N 3.27Å; G230-R464 VanDerWaalsContact CA-NE 3.3Å
231I92.9Very high94Very high24 Ų2443.2 Ų43.212%0.12327%0.267CS..  trans-122.9101.4-179.7-56.9179.9000108.5A225 A229 D233 F253 F254A225-I231 CarbonylContact O-C 3.5Å; A225-I231 PolarHBondContact O-N 2.84Å; A229-I231 VanDerWaalsContact C-N 3.3Å; A229-I231 PolarHBondContact O-N 2.69Å; I231-D233 HydrophobicContact CG2-CB 4.19Å; I231-D233 VanDerWaalsContact CG2-OD2 3.25Å; I231-D233 WeakPolarHBondContact CG2-OD2 3.32Å; I231-D233 PolarHBondContact O-N 3.43Å; I231-F253 HydrophobicContact CB-CE2 4.28Å; I231-F254 WeakPolarHBondContact CD1-O 3.4Å
232P91.8Very high93.6Very high103 Ų10346.9 Ų46.967%0.66929%0.293SS*.THydrogen-bonded Turntrans-78.439.2-171.833.1-37.1000114.4N226N226-P232 VanDerWaalsContact OD1-CA 3.32Å; N226-P232 WeakPolarHBondContact OD1-CA 3.33Å; N226-P232 WeakPolarHBondContact OD1-CB 3.41Å
233D92.1Very high93.5Very high38 Ų3848 Ų4820%0.20330%0.298CS..THydrogen-bonded Turntrans-77.2-32.6178.3-80-27000112.8I231 G235 T247 K251 F253I231-D233 HydrophobicContact CG2-CB 4.19Å; I231-D233 VanDerWaalsContact CG2-OD2 3.25Å; I231-D233 WeakPolarHBondContact CG2-OD2 3.32Å; I231-D233 PolarHBondContact O-N 3.43Å; D233-G235 PolarHBondContact O-N 3.11Å; D233-T247 HydrophobicContact CB-CG2 3.89Å; D233-T247 WeakPolarHBondContact O-CA 3.46Å; D233-T247 VanDerWaalsContact O-CG2 3.23Å; D233-T247 WeakPolarHBondContact O-CG2 3.46Å; D233-K251 IonicContact OD1-NZ 4Å; D233-K251 PolarHBondContact OD1-NZ 3.34Å; D233-K251 VanDerWaalsContact OD2-CE 3.26Å; D233-K251 WeakPolarHBondContact OD2-CE 3.38Å; D233-K251 IonicContact OD2-NZ 3.18Å; D233-K251 PolarHBondContact OD2-NZ 3.25Å; D233-F253 HydrophobicContact CB-CD2 4.18Å
234L94Very high93.4Very high2 Ų250.2 Ų50.21%0.0131%0.309CS..  trans-85.3108179.6-64.1-176.4000110.8L204 C221 V222 A225 F253 V261L204-L234 HydrophobicContact CD1-CD2 3.85Å; L204-L234 HydrophobicContact CD2-CD2 3.64Å; L204-L234 HydrophobicContact CG-CD2 4.41Å; C221-L234 HydrophobicContact CB-CD1 4.31Å; V222-L234 WeakPolarHBondContact CG1-O 3.21Å; A225-L234 HydrophobicContact CB-CB 3.89Å; A225-L234 HydrophobicContact CB-CD1 4.14Å; A225-L234 HydrophobicContact CB-CG 4.2Å; L234-F253 HydrophobicContact CD1-CD1 3.97Å; L234-F253 HydrophobicContact CD1-CD2 4.31Å; L234-F253 HydrophobicContact CD1-CE1 3.92Å; L234-F253 HydrophobicContact CD1-CE2 4.27Å; L234-F253 HydrophobicContact CD1-CG 4.17Å; L234-F253 HydrophobicContact CD1-CZ 4.08Å; L234-F253 HydrophobicContact CD2-CB 4.42Å; L234-F253 HydrophobicContact CD2-CD2 4.47Å; L234-F253 HydrophobicContact CD2-CG 4.33Å; L234-F253 HydrophobicContact CG-CD1 4.41Å; L234-F253 HydrophobicContact CG-CD2 3.94Å; L234-F253 HydrophobicContact CG-CE2 4.11Å; L234-F253 HydrophobicContact CG-CG 4.1Å; L234-F253 HydrophobicContact CG-CZ 4.43Å; L234-V261 HydrophobicContact CD1-CG1 4.38Å
235G94.6Very high93.3Very high26 Ų2650.4 Ų50.427%0.26831%0.31SS..EExtended strand (participates in β ladder)trans-117.5-170.9179.200000114.8D233 I245 G246D233-G235 PolarHBondContact O-N 3.11Å; G235-I245 WeakPolarHBondContact O-CA 3.13Å; G235-G246 PolarHBondContact N-O 3.14Å; G235-G246 PolarHBondContact O-N 2.95Å
236T94.5Very high93.2Very high72 Ų7250.5 Ų50.544%0.44231%0.311SS..EExtended strand (participates in β ladder)trans-113.8120166.753.50000109.8T219 L243 Q244 I245T219-T236 HydrophobicContact CG2-CG2 3.94Å; T236-L243 HydrophobicContact CG2-CD2 4.07Å; T236-Q244 CarbonylContact C-O 3.5Å; T236-Q244 WeakPolarHBondContact CA-O 3.41Å; T236-I245 HydrophobicContact CG2-CG1 4.1Å
237T94.3Very high93.1Very high33 Ų3347.5 Ų47.520%0.20230%0.295CS..EExtended strand (participates in β ladder)trans-113.6133.8-178.256.50000110.3L243 Q244 Y248T237-L243 WeakPolarHBondContact O-CA 3.32Å; T237-Q244 PolarHBondContact N-O 3.37Å; T237-Q244 PolarHBondContact O-N 2.91Å; T237-Y248 HydrophobicContact CG2-CD2 4.02Å; T237-Y248 HydrophobicContact CG2-CG 4.49Å
238G93Very high92.9Very high59 Ų5955.4 Ų55.461%0.60833%0.325SS*.SBendtrans86.2-168.7-175.300000113.7
239R93.5Very high92.7Very high216 Ų21659.9 Ų59.982%0.81535%0.348SS*.  trans-151.8152.6-176.864.3-178.9-178.3-179.5-0.2112.4S242R239-S242 PolarHBondContact O-OG 2.85Å
240G91.7Very high92.4Very high64 Ų6465.4 Ų65.466%0.6638%0.377SS*.G310 helixtrans66.2-140.9-179.600000112.4S242 L243G240-S242 PolarHBondContact O-N 2.85Å; G240-L243 VanDerWaalsContact O-CB 3.25Å; G240-L243 WeakPolarHBondContact O-CB 3.39Å; G240-L243 PolarHBondContact O-N 3.21Å; G240-L243 VanDerWaalsContact O-N 3.12Å
241S84.8Confident92.1Very high89 Ų8968.6 Ų68.662%0.62239%0.388SS*.G310 helixtrans-67.8-19.3179.951.60000114.3R197R197-S241 WeakPolarHBondContact CD-O 3.37Å; R197-S241 PolarHBondContact NH1-O 2.88Å
242S89.5Confident92Very high85 Ų8567.9 Ų67.959%0.59439%0.385SS*.G310 helixtrans-96.611172.6590000113.7R239 G240 Q244R239-S242 PolarHBondContact O-OG 2.85Å; G240-S242 PolarHBondContact O-N 2.85Å; S242-Q244 PolarHBondContact O-N 3.22Å
243L93.5Very high92.1Very high43 Ų4363.1 Ų63.123%0.22535%0.354CS..  trans-64.9132.7163.9-168.4155000108.8H217 T236 T237 G240H217-L243 PolarHBondContact CD2-O 3.08Å; H217-L243 PolarHBondContact NE2-O 2.89Å; T236-L243 HydrophobicContact CG2-CD2 4.07Å; T237-L243 WeakPolarHBondContact O-CA 3.32Å; G240-L243 VanDerWaalsContact O-CB 3.25Å; G240-L243 WeakPolarHBondContact O-CB 3.39Å; G240-L243 PolarHBondContact O-N 3.21Å; G240-L243 VanDerWaalsContact O-N 3.12Å
244Q94.3Very high92Very high62 Ų6262.9 Ų62.929%0.2935%0.351SS..EExtended strand (participates in β ladder)trans-122153175.6-56.7177.5-9.800109.7V199 T236 T237 S242V199-Q244 HydrophobicContact CG1-CB 4.46Å; V199-Q244 HydrophobicContact CG1-CG 3.84Å; T236-Q244 CarbonylContact C-O 3.5Å; T236-Q244 WeakPolarHBondContact CA-O 3.41Å; T237-Q244 PolarHBondContact N-O 3.37Å; T237-Q244 PolarHBondContact O-N 2.91Å; S242-Q244 PolarHBondContact O-N 3.22Å
245I94.9Very high92Very high5 Ų562.8 Ų62.83%0.02635%0.351CS..EExtended strand (participates in β ladder)trans-100.3155.5169.4-78179.6000110K202 M212 T219 V222 G235 T236K202-I245 PolarHBondContact NZ-O 2.92Å; M212-I245 HydrophobicContact CE-CB 3.91Å; M212-I245 HydrophobicContact CE-CG2 4.21Å; M212-I245 WeakPolarHBondContact CE-O 3.28Å; T219-I245 HydrophobicContact CG2-CD1 4.18Å; V222-I245 HydrophobicContact CG2-CD1 4.47Å; V222-I245 HydrophobicContact CG2-CG1 4.43Å; V222-I245 HydrophobicContact CG2-CG2 4.11Å; G235-I245 WeakPolarHBondContact O-CA 3.13Å; T236-I245 HydrophobicContact CG2-CG1 4.1Å
246G93.1Very high92Very high2 Ų261.6 Ų61.62%0.02134%0.338CS..EExtended strand (participates in β ladder)trans123.2-168.9170.900000112.7G235G235-G246 PolarHBondContact N-O 3.14Å; G235-G246 PolarHBondContact O-N 2.95Å
247T92.9Very high92.1Very high5 Ų558.2 Ų58.23%0.03132%0.317CS..  trans-65.3153.2171.138.80000111.4K202 L204 D233 I249 K251K202-T247 PolarHBondContact NZ-O 2.97Å; L204-T247 HydrophobicContact CD2-CG2 4.38Å; D233-T247 HydrophobicContact CB-CG2 3.89Å; D233-T247 WeakPolarHBondContact O-CA 3.46Å; D233-T247 VanDerWaalsContact O-CG2 3.23Å; D233-T247 WeakPolarHBondContact O-CG2 3.46Å; T247-I249 VanDerWaalsContact CB-O 3.26Å; T247-I249 WeakPolarHBondContact CB-O 3.36Å; T247-I249 PolarHBondContact OG1-O 3.27Å; T247-K251 HydrophobicContact CG2-CB 4.43Å; T247-K251 WeakPolarHBondContact CG2-O 3.23Å; T247-K251 PolarHBondContact OG1-O 3.12Å
248Y91.4Very high92.1Very high207 Ų20756.8 Ų56.881%0.81231%0.308SS*.SBendtrans-87.7-40.9177.3173.2-114.6000112.3T237T237-Y248 HydrophobicContact CG2-CD2 4.02Å; T237-Y248 HydrophobicContact CG2-CG 4.49Å
249I91.4Very high92.3Very high112 Ų11254 Ų5457%0.57428%0.279SS*.SBendtrans-93163.816753.9169.7000109.8T247 K251T247-I249 VanDerWaalsContact CB-O 3.26Å; T247-I249 WeakPolarHBondContact CB-O 3.36Å; T247-I249 PolarHBondContact OG1-O 3.27Å; I249-K251 HydrophobicContact CD1-CB 4.01Å; I249-K251 HydrophobicContact CG1-CB 3.93Å; I249-K251 PolarHBondContact O-N 3Å
250D87.7Confident92.4Very high117 Ų11743.7 Ų43.763%0.62624%0.241SC*.SBendtrans-76.464.6173.5-163.635.7000111.5N203N203-D250 WeakPolarHBondContact CB-OD1 3.43Å
251K88.7Confident92.6Very high77 Ų7740.7 Ų40.734%0.33521%0.209SC..  trans-100.1128.2172.1-172.9-170.8178.7-164.40108.5D233 T247 I249D233-K251 IonicContact OD1-NZ 4Å; D233-K251 PolarHBondContact OD1-NZ 3.34Å; D233-K251 VanDerWaalsContact OD2-CE 3.26Å; D233-K251 WeakPolarHBondContact OD2-CE 3.38Å; D233-K251 IonicContact OD2-NZ 3.18Å; D233-K251 PolarHBondContact OD2-NZ 3.25Å; T247-K251 HydrophobicContact CG2-CB 4.43Å; T247-K251 WeakPolarHBondContact CG2-O 3.23Å; T247-K251 PolarHBondContact OG1-O 3.12Å; I249-K251 HydrophobicContact CD1-CB 4.01Å; I249-K251 HydrophobicContact CG1-CB 3.93Å; I249-K251 PolarHBondContact O-N 3Å
252P90.7Very high93.2Very high8 Ų837 Ų375%0.05218%0.183CC..  trans-66.9150.5171.4-19.632.6000112.1F254 N766P252-F254 HydrophobicContact CB-CD1 4.48Å; P252-F254 HydrophobicContact CB-CD2 3.94Å; P252-F254 HydrophobicContact CB-CE1 4.08Å; P252-F254 HydrophobicContact CB-CE2 3.48Å; P252-F254 VanDerWaalsContact CB-CE2 3.48Å; P252-F254 HydrophobicContact CB-CG 4.42Å; P252-F254 HydrophobicContact CB-CZ 3.55Å; P252-F254 HydrophobicContact CG-CD2 4.43Å; P252-F254 HydrophobicContact CG-CE2 3.58Å; P252-F254 HydrophobicContact CG-CZ 3.71Å; P252-F254 PolarHBondContact O-N 3.28Å; P252-F254 VanDerWaalsContact O-N 3.09Å; P252-N766 WeakPolarHBondContact CD-OD1 3.45Å
253F92.6Very high93.4Very high4 Ų435.9 Ų35.92%0.01817%0.17CC..  trans-86.580.5179.8-178.8-126.2000110.6L204 I208 A225 A229 I231 D233 L234 S255 S258 V261L204-F253 HydrophobicContact CB-CB 4.26Å; L204-F253 HydrophobicContact CD2-CB 4.35Å; L204-F253 PolarHBondContact O-N 2.96Å; I208-F253 HydrophobicContact CD1-CD1 3.9Å; A225-F253 HydrophobicContact CB-CE2 3.96Å; A225-F253 HydrophobicContact CB-CZ 3.83Å; A229-F253 HydrophobicContact CB-CZ 4.2Å; I231-F253 HydrophobicContact CB-CE2 4.28Å; D233-F253 HydrophobicContact CB-CD2 4.18Å; L234-F253 HydrophobicContact CD1-CD1 3.97Å; L234-F253 HydrophobicContact CD1-CD2 4.31Å; L234-F253 HydrophobicContact CD1-CE1 3.92Å; L234-F253 HydrophobicContact CD1-CE2 4.27Å; L234-F253 HydrophobicContact CD1-CG 4.17Å; L234-F253 HydrophobicContact CD1-CZ 4.08Å; L234-F253 HydrophobicContact CD2-CB 4.42Å; L234-F253 HydrophobicContact CD2-CD2 4.47Å; L234-F253 HydrophobicContact CD2-CG 4.33Å; L234-F253 HydrophobicContact CG-CD1 4.41Å; L234-F253 HydrophobicContact CG-CD2 3.94Å; L234-F253 HydrophobicContact CG-CE2 4.11Å; L234-F253 HydrophobicContact CG-CG 4.1Å; L234-F253 HydrophobicContact CG-CZ 4.43Å; F253-S255 PolarHBondContact O-N 2.78Å; F253-S258 WeakPolarHBondContact O-CB 3.4Å; F253-V261 HydrophobicContact CE1-CG1 3.93Å
254F91.4Very high93.5Very high33 Ų3334 Ų3415%0.14516%0.16CC..  trans-83.6100.1-177.4-70-58.4000112.5I231 P252 L740 A762 V763 N766I231-F254 WeakPolarHBondContact CD1-O 3.4Å; P252-F254 HydrophobicContact CB-CD1 4.48Å; P252-F254 HydrophobicContact CB-CD2 3.94Å; P252-F254 HydrophobicContact CB-CE1 4.08Å; P252-F254 HydrophobicContact CB-CE2 3.48Å; P252-F254 VanDerWaalsContact CB-CE2 3.48Å; P252-F254 HydrophobicContact CB-CG 4.42Å; P252-F254 HydrophobicContact CB-CZ 3.55Å; P252-F254 HydrophobicContact CG-CD2 4.43Å; P252-F254 HydrophobicContact CG-CE2 3.58Å; P252-F254 HydrophobicContact CG-CZ 3.71Å; P252-F254 PolarHBondContact O-N 3.28Å; P252-F254 VanDerWaalsContact O-N 3.09Å; F254-L740 HydrophobicContact CB-CD2 3.73Å; F254-L740 HydrophobicContact CD1-CD2 4.48Å; F254-L740 HydrophobicContact CG-CD2 4.45Å; F254-A762 HydrophobicContact CE1-CB 3.94Å; F254-A762 HydrophobicContact CZ-CB 3.97Å; F254-A762 WeakPolarHBondContact CZ-O 3.36Å; F254-V763 HydrophobicContact CD1-CG2 3.63Å; F254-V763 HydrophobicContact CE1-CG2 3.64Å; F254-V763 HydrophobicContact CG-CG2 4.25Å; F254-V763 HydrophobicContact CZ-CG2 4.26Å; F254-N766 HydrophobicContact CE2-CB 3.58Å; F254-N766 HydrophobicContact CZ-CB 4.21Å
255S93.7Very high93.6Very high0 Ų031.5 Ų31.50%015%0.15CC..  trans-136.9155.9166.7174.40000109.7F253 L257 S258 D327 Y744F253-S255 PolarHBondContact O-N 2.78Å; S255-L257 PolarHBondContact O-N 2.87Å; S255-L257 PolarHBondContact OG-N 2.85Å; S255-S258 PolarHBondContact O-N 3.38Å; S255-D327 VanDerWaalsContact O-OD2 3.05Å; S255-Y744 PolarHBondContact O-OH 3.35Å
256E95Very high93.7Very high1 Ų131.4 Ų31.41%0.00515%0.149CC..THydrogen-bonded Turntrans-67.5-14.6166.268.6-70.6175.600113.8D327 R453 F454 P457 L740 Y743E256-D327 WeakPolarHBondContact O-CB 3.43Å; E256-D327 PolarHBondContact O-N 2.93Å; E256-R453 HydrophobicContact CG-CG 3.98Å; E256-R453 VanDerWaalsContact OE1-CG 3.32Å; E256-R453 WeakPolarHBondContact OE1-CG 3.42Å; E256-R453 IonicContact OE1-CZ 3.18Å; E256-R453 IonicContact OE1-NE 2.79Å; E256-R453 PolarHBondContact OE1-NE 3.42Å; E256-R453 IonicContact OE1-NH2 3.91Å; E256-R453 IonicContact OE2-CZ 2.73Å; E256-R453 VanDerWaalsContact OE2-CZ 3.3Å; E256-R453 IonicContact OE2-NE 3.49Å; E256-R453 PolarHBondContact OE2-NE 3.05Å; E256-R453 IonicContact OE2-NH2 3.27Å; E256-R453 PolarHBondContact OE2-NH2 2.73Å; E256-F454 HydrophobicContact CB-CD1 4.37Å; E256-F454 HydrophobicContact CB-CE1 4.39Å; E256-P457 HydrophobicContact CB-CB 4.48Å; E256-P457 HydrophobicContact CG-CB 3.96Å; E256-P457 HydrophobicContact CG-CG 4.47Å; E256-L740 HydrophobicContact CB-CD1 4.08Å; E256-Y743 HydrophobicContact CB-CD1 4.13Å; E256-Y743 HydrophobicContact CB-CE1 3.71Å; E256-Y743 HydrophobicContact CB-CE2 4.43Å; E256-Y743 PolarHBondContact O-OH 3.18Å
257L96.2Very high93.9Very high1 Ų131.3 Ų31.31%0.00515%0.148CC..THydrogen-bonded Turntrans-12114.9176.6-68.4168.9000112.4F224 S255 G259 N260 P457 L458 A461F224-L257 WeakPolarHBondContact CE1-O 3.42Å; F224-L257 HydrophobicContact CZ-CB 4.32Å; S255-L257 PolarHBondContact O-N 2.87Å; S255-L257 PolarHBondContact OG-N 2.85Å; L257-G259 VanDerWaalsContact C-N 3.34Å; L257-G259 PolarHBondContact O-N 2.87Å; L257-N260 PolarHBondContact O-N 3.42Å; L257-N260 PolarHBondContact O-ND2 2.82Å; L257-P457 HydrophobicContact CD2-CB 4.22Å; L257-P457 HydrophobicContact CG-CB 4.35Å; L257-L458 HydrophobicContact CD2-CD2 3.93Å; L257-L458 HydrophobicContact CD2-CG 4.49Å; L257-A461 HydrophobicContact CD1-CB 3.88Å
258S95Very high94Very high2 Ų231.1 Ų31.11%0.01415%0.147CC..THydrogen-bonded Turntrans-58.5-40.5-170.275.30000113.4F253 S255 N260 V261 D327F253-S258 WeakPolarHBondContact O-CB 3.4Å; S255-S258 PolarHBondContact O-N 3.38Å; S258-N260 PolarHBondContact O-N 3.45Å; S258-V261 VanDerWaalsContact O-CG2 3.31Å; S258-V261 WeakPolarHBondContact O-CG2 3.31Å; S258-V261 PolarHBondContact O-N 2.92Å; S258-D327 WeakPolarHBondContact CA-OD2 3.49Å; S258-D327 VanDerWaalsContact CB-OD2 3.31Å; S258-D327 WeakPolarHBondContact CB-OD2 3.38Å; S258-D327 PolarHBondContact N-OD2 3.5Å; S258-D327 PolarHBondContact OG-OD2 3.31Å
259G95.3Very high94.3Very high0 Ų021.3 Ų21.30%011%0.109CC..THydrogen-bonded Turntrans-67.9-14.1-174.200000115L257 V261 I262 D327L257-G259 VanDerWaalsContact C-N 3.34Å; L257-G259 PolarHBondContact O-N 2.87Å; G259-V261 PolarHBondContact O-N 2.92Å; G259-I262 VanDerWaalsContact O-CB 3.3Å; G259-I262 WeakPolarHBondContact O-CB 3.13Å; G259-I262 WeakPolarHBondContact O-CD1 3.46Å; G259-I262 WeakPolarHBondContact O-CG1 3.33Å; G259-I262 PolarHBondContact O-N 3.46Å; G259-I262 VanDerWaalsContact O-N 3.09Å; G259-D327 VanDerWaalsContact CA-OD1 3.23Å; G259-D327 WeakPolarHBondContact CA-OD1 3.31Å; G259-D327 PolarHBondContact N-OD1 2.74Å; G259-D327 PolarHBondContact N-OD2 2.86Å
260N97.1Very high94.5Very high1 Ų116.3 Ų16.31%0.0058%0.084CC..Hα-helixtrans-63.7-19.9174.2-63.6-71.1000112.8F224 L257 S258 I262 D263 L264 W324 L325 R330F224-N260 HydrophobicContact CE1-CB 3.95Å; F224-N260 HydrophobicContact CE2-CB 3.97Å; F224-N260 HydrophobicContact CZ-CB 3.48Å; F224-N260 VanDerWaalsContact CZ-CB 3.48Å; L257-N260 PolarHBondContact O-N 3.42Å; L257-N260 PolarHBondContact O-ND2 2.82Å; S258-N260 PolarHBondContact O-N 3.45Å; N260-I262 PolarHBondContact O-N 2.74Å; N260-I262 VanDerWaalsContact O-N 3.16Å; N260-D263 PolarHBondContact O-N 3.18Å; N260-L264 WeakPolarHBondContact O-CG 3.36Å; N260-L264 PolarHBondContact O-N 2.85Å; N260-W324 HydrophobicContact CB-CE3 4.08Å; N260-L325 PolarHBondContact ND2-O 3.49Å; N260-L325 PolarHBondContact OD1-N 3.31Å; N260-L325 PolarHBondContact OD1-O 2.89Å; N260-R330 PolarHBondContact OD1-NH2 2.95Å
261V96.3Very high94.9Very high0 Ų010.9 Ų10.90%05%0.054CC..Hα-helixtrans-64.7-15.5173-54.90000113.8I208 C221 F224 L234 F253 S258 G259 C265 L270I208-V261 HydrophobicContact CD1-CG2 3.6Å; I208-V261 HydrophobicContact CG1-CG2 4.12Å; I208-V261 HydrophobicContact CG2-CG2 4.48Å; C221-V261 HydrophobicContact CB-CB 4.04Å; C221-V261 HydrophobicContact CB-CG1 4.12Å; F224-V261 HydrophobicContact CD1-CG1 3.59Å; F224-V261 HydrophobicContact CE1-CG1 4.12Å; F224-V261 HydrophobicContact CG-CG1 4.48Å; L234-V261 HydrophobicContact CD1-CG1 4.38Å; F253-V261 HydrophobicContact CE1-CG1 3.93Å; S258-V261 VanDerWaalsContact O-CG2 3.31Å; S258-V261 WeakPolarHBondContact O-CG2 3.31Å; S258-V261 PolarHBondContact O-N 2.92Å; G259-V261 PolarHBondContact O-N 2.92Å; V261-C265 PolarHBondContact O-N 2.93Å; V261-L270 HydrophobicContact CB-CD1 4.05Å; V261-L270 HydrophobicContact CG2-CD1 3.91Å
262I96.5Very high95.3Very high11 Ų118 Ų86%0.0564%0.044CC..Hα-helixtrans-73-55.6176.2-65159.5000109.5I208 G259 N260 L264 C265 F331I208-I262 HydrophobicContact CG1-CD1 4.24Å; I208-I262 HydrophobicContact CG1-CG1 4.41Å; G259-I262 VanDerWaalsContact O-CB 3.3Å; G259-I262 WeakPolarHBondContact O-CB 3.13Å; G259-I262 WeakPolarHBondContact O-CD1 3.46Å; G259-I262 WeakPolarHBondContact O-CG1 3.33Å; G259-I262 PolarHBondContact O-N 3.46Å; G259-I262 VanDerWaalsContact O-N 3.09Å; N260-I262 PolarHBondContact O-N 2.74Å; N260-I262 VanDerWaalsContact O-N 3.16Å; I262-L264 VanDerWaalsContact C-N 3.26Å; I262-L264 PolarHBondContact O-N 3.2Å; I262-C265 VanDerWaalsContact O-CB 3.3Å; I262-C265 WeakPolarHBondContact O-CB 3.49Å; I262-C265 PolarHBondContact O-N 3.46Å; I262-F331 HydrophobicContact CD1-CZ 3.97Å
263D94.6Very high95.6Very high63 Ų6311.3 Ų11.334%0.3376%0.057SC..Hα-helixtrans-63.5-35-179.6-56.6-8.7000111.5N260 C265 P314 R330N260-D263 PolarHBondContact O-N 3.18Å; D263-C265 PolarHBondContact O-N 3.18Å; D263-P314 WeakPolarHBondContact OD2-CD 3.48Å; D263-P314 VanDerWaalsContact OD2-CG 3.29Å; D263-P314 WeakPolarHBondContact OD2-CG 3.29Å; D263-R330 IonicContact OD1-CZ 3.31Å; D263-R330 IonicContact OD1-NH1 3.79Å; D263-R330 PolarHBondContact OD1-NH1 3.05Å; D263-R330 IonicContact OD2-CZ 2.71Å; D263-R330 IonicContact OD2-NH1 3.75Å; D263-R330 PolarHBondContact OD2-NH1 2.94Å; D263-R330 IonicContact OD2-NH2 2.74Å; D263-R330 PolarHBondContact OD2-NH2 2.71Å
264L94.5Very high95.7Very high3 Ų312.9 Ų12.92%0.0167%0.068CC..THydrogen-bonded Turntrans-64.3-21.6173.6-77.7170.1000113.9H101 L104 R220 F224 N260 I262 P266 W324H101-L264 VanDerWaalsContact CD2-CD2 3.45Å; H101-L264 WeakPolarHBondContact CD2-CD2 3.49Å; H101-L264 WeakPolarHBondContact NE2-CD2 3.39Å; L104-L264 HydrophobicContact CD1-CD1 4.37Å; L104-L264 HydrophobicContact CD1-CD2 3.96Å; R220-L264 WeakPolarHBondContact CD-O 3.42Å; R220-L264 PolarHBondContact NH1-O 3.35Å; R220-L264 VanDerWaalsContact NH1-O 3.11Å; F224-L264 HydrophobicContact CB-CD1 3.47Å; F224-L264 VanDerWaalsContact CB-CD1 3.47Å; F224-L264 HydrophobicContact CD1-CD1 4.17Å; F224-L264 HydrophobicContact CD2-CD1 3.44Å; F224-L264 VanDerWaalsContact CD2-CD1 3.44Å; F224-L264 HydrophobicContact CE2-CD1 4.24Å; F224-L264 HydrophobicContact CG-CD1 3.4Å; F224-L264 VanDerWaalsContact CG-CD1 3.4Å; N260-L264 WeakPolarHBondContact O-CG 3.36Å; N260-L264 PolarHBondContact O-N 2.85Å; I262-L264 VanDerWaalsContact C-N 3.26Å; I262-L264 PolarHBondContact O-N 3.2Å; L264-P266 VanDerWaalsContact O-CD 3.3Å; L264-P266 WeakPolarHBondContact O-CD 3.37Å; L264-W324 HydrophobicContact CD1-CH2 4.15Å; L264-W324 HydrophobicContact CD1-CZ3 3.83Å; L264-W324 HydrophobicContact CD2-CH2 3.98Å; L264-W324 HydrophobicContact CD2-CZ3 3.98Å; L264-W324 HydrophobicContact CG-CH2 4.36Å; L264-W324 HydrophobicContact CG-CZ3 3.93Å
265C97Very high95.9Very high10 Ų1011.6 Ų11.67%0.0686%0.062CC..  trans-78116-171.1-144.20000110.8V261 I262 D263 V267 L270V261-C265 PolarHBondContact O-N 2.93Å; I262-C265 VanDerWaalsContact O-CB 3.3Å; I262-C265 WeakPolarHBondContact O-CB 3.49Å; I262-C265 PolarHBondContact O-N 3.46Å; D263-C265 PolarHBondContact O-N 3.18Å; C265-V267 WeakPolarHBondContact CB-O 3.25Å; C265-V267 PolarHBondContact O-N 3.21Å; C265-V267 PolarHBondContact SG-O 2.73Å; C265-L270 HydrophobicContact CB-CB 4.12Å
266P96.3Very high95.9Very high2 Ų212.7 Ų12.71%0.0137%0.071CC..SBendtrans-68.72.7178.629.6-35.9000113.9F98 D173 L174 I216 C218 L264F98-P266 HydrophobicContact CD1-CB 3.93Å; D173-P266 HydrophobicContact CB-CB 3.6Å; D173-P266 WeakPolarHBondContact CB-O 3.36Å; D173-P266 PolarHBondContact N-O 3.01Å; D173-P266 VanDerWaalsContact OD2-CB 3.32Å; D173-P266 WeakPolarHBondContact OD2-CB 3.35Å; L174-P266 PolarHBondContact N-O 3.03Å; I216-P266 HydrophobicContact CD1-CB 4.29Å; I216-P266 HydrophobicContact CD1-CG 3.74Å; I216-P266 HydrophobicContact CG1-CG 4.09Å; C218-P266 HydrophobicContact CB-CG 4.45Å; L264-P266 VanDerWaalsContact O-CD 3.3Å; L264-P266 WeakPolarHBondContact O-CD 3.37Å
267V96.8Very high95.7Very high1 Ų119.3 Ų19.31%0.00610%0.101CC..SBendtrans-150.5150-173.2-72.40000108.2L174 I216 C265 A269L174-V267 HydrophobicContact CB-CG1 3.67Å; L174-V267 HydrophobicContact CD2-CG1 3.65Å; L174-V267 HydrophobicContact CG-CG1 4.29Å; I216-V267 HydrophobicContact CD1-CG1 4.27Å; I216-V267 HydrophobicContact CG1-CG1 4.17Å; I216-V267 HydrophobicContact CG1-CG2 4.24Å; I216-V267 HydrophobicContact CG2-CG1 4.06Å; C265-V267 WeakPolarHBondContact CB-O 3.25Å; C265-V267 PolarHBondContact O-N 3.21Å; C265-V267 PolarHBondContact SG-O 2.73Å; V267-A269 HydrophobicContact CG2-CB 3.81Å; V267-A269 PolarHBondContact O-N 3.4Å
268G95.9Very high95.6Very high1 Ų122.2 Ų22.21%0.0112%0.118CC..THydrogen-bonded Turntrans-73.644.8174.700000114.5Q168 R214Q168-G268 VanDerWaalsContact CB-CA 3.48Å; R214-G268 WeakPolarHBondContact CD-O 3.3Å; R214-G268 PolarHBondContact NH1-O 2.72Å
269A96.8Very high95.6Very high1 Ų122.4 Ų22.41%0.00812%0.12CC..THydrogen-bonded Turntrans-87.2-24.3171.300000112.3T210 I211 R214 C215 V267T210-A269 CarbonylContact C-O 3.6Å; T210-A269 WeakPolarHBondContact CA-O 3.31Å; I211-A269 PolarHBondContact N-O 2.78Å; I211-A269 WeakPolarHBondContact O-CA 3.47Å; R214-A269 HydrophobicContact CB-CB 3.86Å; C215-A269 HydrophobicContact CB-CB 4.09Å; V267-A269 HydrophobicContact CG2-CB 3.81Å; V267-A269 PolarHBondContact O-N 3.4Å
270L96.6Very high95.5Very high7 Ų724.6 Ų24.64%0.03713%0.128CC..EExtended strand (participates in β ladder)trans-124.6110.1168.1-56.1176.6000106.7L204 I208 K209 T210 M212 C221 V261 C265L204-L270 HydrophobicContact CD1-CD2 4.07Å; I208-L270 HydrophobicContact CG2-CB 4.24Å; I208-L270 HydrophobicContact CG2-CD2 4.1Å; K209-L270 WeakPolarHBondContact O-CA 3.29Å; T210-L270 HydrophobicContact CG2-CD2 3.84Å; M212-L270 HydrophobicContact SD-CD2 4.41Å; C221-L270 HydrophobicContact CB-CD1 3.73Å; V261-L270 HydrophobicContact CB-CD1 4.05Å; V261-L270 HydrophobicContact CG2-CD1 3.91Å; C265-L270 HydrophobicContact CB-CB 4.12Å
271T96.7Very high95.4Very high2 Ų224.9 Ų24.91%0.01213%0.13CC..EExtended strand (participates in β ladder)trans-126.3161.3-17971.10000110.9D167 K209 K273D167-T271 HydrophobicContact CB-CG2 3.99Å; D167-T271 PolarHBondContact OD2-OG1 3.38Å; K209-T271 PolarHBondContact N-O 2.83Å; K209-T271 PolarHBondContact O-N 2.89Å; T271-K273 PolarHBondContact O-N 2.9Å
272S96.5Very high95.3Very high16 Ų1633.5 Ų33.511%0.11216%0.163CC..EExtended strand (participates in β ladder)trans-68.5116.9176.4162.90000110.4P274 Y275 A276S272-P274 WeakPolarHBondContact OG-CD 3.45Å; S272-Y275 PolarHBondContact O-N 3.45Å; S272-Y275 VanDerWaalsContact OG-CB 3.26Å; S272-Y275 WeakPolarHBondContact OG-CB 3.4Å; S272-Y275 PolarHBondContact OG-N 2.86Å; S272-Y275 VanDerWaalsContact OG-N 3.14Å; S272-A276 PolarHBondContact O-N 3.45Å
273K96.1Very high95.2Very high78 Ų7836.3 Ų36.334%0.33918%0.176SC..THydrogen-bonded Turntrans-65.1-37.2177.2-165172.3-71.7170.70112.2G205 L207 I208 K209 T271 A276G205-K273 PolarHBondContact O-NZ 3.17Å; L207-K273 WeakPolarHBondContact O-CB 3.28Å; L207-K273 PolarHBondContact O-N 3.3Å; I208-K273 WeakPolarHBondContact O-CE 3.47Å; I208-K273 PolarHBondContact O-NZ 3.46Å; I208-K273 VanDerWaalsContact O-NZ 3.11Å; K209-K273 HydrophobicContact CB-CB 3.87Å; K209-K273 HydrophobicContact CB-CG 4.19Å; T271-K273 PolarHBondContact O-N 2.9Å; K273-A276 WeakPolarHBondContact O-CB 3.47Å
274P95.4Very high95.2Very high37 Ų3734.1 Ų34.124%0.2416%0.164CC..THydrogen-bonded Turntrans-66.5-30.1170.4-24.836.1000115.5L207 S272 F331 T755L207-P274 WeakPolarHBondContact O-CD 3.49Å; S272-P274 WeakPolarHBondContact OG-CD 3.45Å; P274-F331 HydrophobicContact CB-CD1 4.48Å; P274-F331 HydrophobicContact CG-CD1 3.86Å; P274-F331 HydrophobicContact CG-CE1 4.22Å; P274-T755 HydrophobicContact CB-CG2 4.4Å; P274-T755 HydrophobicContact CG-CG2 3.56Å
275Y95.3Very high95.3Very high7 Ų741.2 Ų41.23%0.02719%0.191CC..THydrogen-bonded Turntrans-88.1-15.7179.5179.3-110.6000113.6S272 F277 T278 A279 L310 R311S272-Y275 PolarHBondContact O-N 3.45Å; S272-Y275 VanDerWaalsContact OG-CB 3.26Å; S272-Y275 WeakPolarHBondContact OG-CB 3.4Å; S272-Y275 PolarHBondContact OG-N 2.86Å; S272-Y275 VanDerWaalsContact OG-N 3.14Å; Y275-F277 PolarHBondContact O-N 2.99Å; Y275-T278 VanDerWaalsContact CD2-OG1 3.23Å; Y275-T278 WeakPolarHBondContact CD2-OG1 3.49Å; Y275-T278 WeakPolarHBondContact O-CB 3.41Å; Y275-T278 WeakPolarHBondContact O-CG2 3.39Å; Y275-T278 PolarHBondContact O-N 2.98Å; Y275-T278 PolarHBondContact O-OG1 2.97Å; Y275-A279 HydrophobicContact CE2-CB 4.02Å; Y275-A279 PolarHBondContact OH-O 2.88Å; Y275-L310 HydrophobicContact CD2-CB 4.5Å; Y275-L310 WeakPolarHBondContact CD2-O 3.43Å; Y275-L310 HydrophobicContact CE2-CB 4.09Å; Y275-R311 HydrophobicContact CD2-CB 3.86Å; Y275-R311 HydrophobicContact CD2-CG 4.09Å; Y275-R311 HydrophobicContact CE2-CB 4.24Å; Y275-R311 HydrophobicContact CE2-CG 3.94Å; Y275-R311 HydrophobicContact CG-CB 4.36Å
276A93.2Very high95.3Very high23 Ų2347.7 Ų47.719%0.1921%0.214CC..THydrogen-bonded Turntrans-46.5122.7-170.400000113.6D167 K209 S272 K273 T278D167-A276 WeakPolarHBondContact OD1-CA 3.37Å; K209-A276 HydrophobicContact CD-CB 3.77Å; S272-A276 PolarHBondContact O-N 3.45Å; K273-A276 WeakPolarHBondContact O-CB 3.47Å; A276-T278 PolarHBondContact O-N 3.17Å; A276-T278 VanDerWaalsContact O-N 3.1Å
277F92.5Very high95.3Very high140 Ų14049.6 Ų49.661%0.61422%0.223SC*.THydrogen-bonded Turntrans59.58.9179.6-46.4-38000116.6I165 D167 Y275I165-F277 WeakPolarHBondContact O-CE1 3.47Å; D167-F277 WeakPolarHBondContact OD1-CD1 3.33Å; D167-F277 PolarHBondContact OD1-N 3.09Å; Y275-F277 PolarHBondContact O-N 2.99Å
278T93.4Very high95.3Very high61 Ų6154.6 Ų54.637%0.37425%0.247SC..THydrogen-bonded Turntrans-76.5-32.7-177.462.70000114Y275 A276 R305Y275-T278 VanDerWaalsContact CD2-OG1 3.23Å; Y275-T278 WeakPolarHBondContact CD2-OG1 3.49Å; Y275-T278 WeakPolarHBondContact O-CB 3.41Å; Y275-T278 WeakPolarHBondContact O-CG2 3.39Å; Y275-T278 PolarHBondContact O-N 2.98Å; Y275-T278 PolarHBondContact O-OG1 2.97Å; A276-T278 PolarHBondContact O-N 3.17Å; A276-T278 VanDerWaalsContact O-N 3.1Å; T278-R305 PolarHBondContact O-NH2 2.91Å; T278-R305 VanDerWaalsContact O-NH2 3.1Å
279A93.9Very high95.4Very high6 Ų654.6 Ų54.65%0.0525%0.247CC..  trans-161.2174.2-175.700000113Y275 E283 L310Y275-A279 HydrophobicContact CE2-CB 4.02Å; Y275-A279 PolarHBondContact OH-O 2.88Å; A279-E283 WeakPolarHBondContact CA-OE1 3.45Å; A279-E283 WeakPolarHBondContact CB-OE1 3.21Å; A279-L310 HydrophobicContact CB-CD1 3.49Å; A279-L310 VanDerWaalsContact CB-CD1 3.49Å; A279-L310 HydrophobicContact CB-CD2 4.47Å; A279-L310 HydrophobicContact CB-CG 4.46Å
280R94.5Very high95.4Very high47 Ų4754.7 Ų54.718%0.17725%0.247CC..  trans-120.2148.1177.4-69.9-62.1-169.2171.6-6.9112.7P164 C166 D167 G169 W282 E283P164-R280 PolarHBondContact O-NH2 2.86Å; C166-R280 PolarHBondContact O-NH1 2.91Å; C166-R280 PolarHBondContact O-NH2 3.25Å; D167-R280 PolarHBondContact O-NH1 2.76Å; G169-R280 PolarHBondContact O-NH1 2.87Å; G169-R280 VanDerWaalsContact O-NH1 3.16Å; R280-W282 VanDerWaalsContact C-N 3.3Å; R280-W282 HydrophobicContact CB-CD2 3.99Å; R280-W282 HydrophobicContact CB-CE3 4.36Å; R280-W282 HydrophobicContact CB-CH2 4.03Å; R280-W282 HydrophobicContact CB-CZ2 3.62Å; R280-W282 HydrophobicContact CB-CZ3 4.38Å; R280-W282 HydrophobicContact CG-CH2 3.89Å; R280-W282 HydrophobicContact CG-CZ2 3.59Å; R280-W282 PolarHBondContact O-N 3.12Å; R280-E283 HydrophobicContact CB-CG 4.08Å; R280-E283 PolarHBondContact N-OE1 3.36Å; R280-E283 WeakPolarHBondContact O-CG 2.92Å; R280-E283 PolarHBondContact O-N 2.69Å
281P94Very high95.4Very high7 Ų754.4 Ų54.45%0.04525%0.246CC..G310 helixtrans-60.6-37-171.722.7-33.7000113.6E171 E283 T284E171-P281 HydrophobicContact CB-CB 4.15Å; E171-P281 HydrophobicContact CB-CG 4.19Å; E171-P281 HydrophobicContact CG-CB 3.99Å; E171-P281 HydrophobicContact CG-CG 3.96Å; E171-P281 WeakPolarHBondContact OE2-CB 3.15Å; P281-E283 VanDerWaalsContact C-N 3.34Å; P281-E283 PolarHBondContact O-N 2.68Å; P281-T284 PolarHBondContact O-N 2.82Å; P281-T284 PolarHBondContact O-OG1 2.98Å
282W94.9Very high95.4Very high180 Ų18054.4 Ų54.468%0.68225%0.246SC*.G310 helixtrans-73.5-15-178.26075.1000115.2G169 R280G169-W282 VanDerWaalsContact O-CZ3 3.27Å; G169-W282 WeakPolarHBondContact O-CZ3 3.41Å; R280-W282 VanDerWaalsContact C-N 3.3Å; R280-W282 HydrophobicContact CB-CD2 3.99Å; R280-W282 HydrophobicContact CB-CE3 4.36Å; R280-W282 HydrophobicContact CB-CH2 4.03Å; R280-W282 HydrophobicContact CB-CZ2 3.62Å; R280-W282 HydrophobicContact CB-CZ3 4.38Å; R280-W282 HydrophobicContact CG-CH2 3.89Å; R280-W282 HydrophobicContact CG-CZ2 3.59Å; R280-W282 PolarHBondContact O-N 3.12Å
283E94.7Very high95.3Very high71 Ų7154.2 Ų54.233%0.33224%0.243SC..G310 helixtrans-96.8-9173.358.2166.6172.400113A279 R280 P281 R305A279-E283 WeakPolarHBondContact CA-OE1 3.45Å; A279-E283 WeakPolarHBondContact CB-OE1 3.21Å; R280-E283 HydrophobicContact CB-CG 4.08Å; R280-E283 PolarHBondContact N-OE1 3.36Å; R280-E283 WeakPolarHBondContact O-CG 2.92Å; R280-E283 PolarHBondContact O-N 2.69Å; P281-E283 VanDerWaalsContact C-N 3.34Å; P281-E283 PolarHBondContact O-N 2.68Å; E283-R305 IonicContact OE1-CZ 2.8Å; E283-R305 IonicContact OE1-NH1 3.34Å; E283-R305 PolarHBondContact OE1-NH1 2.8Å; E283-R305 WeakPolarHBondContact OE2-CD 3.2Å; E283-R305 IonicContact OE2-CZ 2.66Å; E283-R305 IonicContact OE2-NE 3.62Å; E283-R305 IonicContact OE2-NH1 3.63Å; E283-R305 PolarHBondContact OE2-NH1 3.45Å
284T95Very high95.2Very high16 Ų1650.8 Ų50.810%0.09823%0.229CC..PPolyproline II helixtrans-80.7134.5176.963.30000111.5P281 M304 L310P281-T284 PolarHBondContact O-N 2.82Å; P281-T284 PolarHBondContact O-OG1 2.98Å; T284-M304 WeakPolarHBondContact CA-O 3.49Å; T284-L310 HydrophobicContact CG2-CD1 3.98Å
285R96.1Very high95.2Very high153 Ų15349.1 Ų49.158%0.57722%0.218SC*.EExtended strand (participates in β ladder)trans-82.4129.7160.3-65.5-176.7178.3176.60.4108.2S303 M304R285-S303 WeakPolarHBondContact O-CA 3.4Å; R285-M304 HydrophobicContact CB-CG 4.14Å; R285-M304 HydrophobicContact CB-SD 3.86Å; R285-M304 HydrophobicContact CG-SD 4.28Å; R285-M304 PolarHBondContact N-O 3.36Å; R285-M304 PolarHBondContact O-N 2.86Å
286R96Very high95.2Very high146 Ų14648.8 Ų48.855%0.55122%0.217SC*.EExtended strand (participates in β ladder)trans-97.3119.5177.3-66.3179.8-177-154.8-5.9108.1E171 V301E171-R286 IonicContact OE2-NH2 3.39Å; E171-R286 PolarHBondContact OE2-NH2 3.06Å; R286-V301 HydrophobicContact CB-CG1 3.65Å; R286-V301 HydrophobicContact CG-CG1 4.13Å
287I97.3Very high95.3Very high41 Ų4148 Ų4821%0.2121%0.21CC..EExtended strand (participates in β ladder)trans-124.6116.4-177.6-62.4176.7000108V302 M304 R650 A652I287-V302 PolarHBondContact N-O 3.45Å; I287-V302 PolarHBondContact O-N 3.23Å; I287-M304 HydrophobicContact CD1-CG 3.95Å; I287-R650 HydrophobicContact CG2-CB 3.91Å; I287-A652 HydrophobicContact CB-CB 4.24Å; I287-A652 HydrophobicContact CD1-CB 4.15Å; I287-A652 HydrophobicContact CG2-CB 4.07Å
288E97.1Very high95.5Very high106 Ų10641.3 Ų41.350%0.49518%0.181SC..EExtended strand (participates in β ladder)trans-71130.6178.4-59.3-171.7-174.100110.4I300 R315 R650E288-I300 WeakPolarHBondContact CA-O 3.4Å; E288-R315 VanDerWaalsContact CD-CD 3.42Å; E288-R315 VanDerWaalsContact OE2-CD 3.3Å; E288-R315 WeakPolarHBondContact OE2-CD 3.36Å; E288-R315 IonicContact OE2-CZ 3.3Å; E288-R315 VanDerWaalsContact OE2-CZ 3.23Å; E288-R315 IonicContact OE2-NE 2.87Å; E288-R315 PolarHBondContact OE2-NE 2.93Å; E288-R315 IonicContact OE2-NH1 3.03Å; E288-R315 PolarHBondContact OE2-NH1 3.08Å; E288-R650 VanDerWaalsContact O-CB 3.29Å; E288-R650 WeakPolarHBondContact O-CB 3.3Å; E288-R650 WeakPolarHBondContact O-CG 3.16Å
289S96.8Very high95.7Very high2 Ų238.7 Ų38.71%0.01416%0.164CC..EExtended strand (participates in β ladder)trans-151.2-168.5-178.9-158.80000109.7I300 T649 R650S289-I300 PolarHBondContact N-O 3.34Å; S289-I300 WeakPolarHBondContact O-CG1 3.36Å; S289-I300 PolarHBondContact O-N 2.91Å; S289-I300 VanDerWaalsContact O-O 3.06Å; S289-T649 WeakPolarHBondContact OG-CA 3.17Å; S289-T649 WeakPolarHBondContact OG-CB 3.47Å; S289-R650 PolarHBondContact OG-N 3.19Å
290I97Very high95.9Very high3 Ų338.4 Ų38.42%0.01516%0.162CC..EExtended strand (participates in β ladder)trans-126.4142.8-176.8-48.7-67.3000108.2N299 Q647 Q648 T649I290-N299 WeakPolarHBondContact CD1-OD1 3.16Å; I290-Q647 HydrophobicContact CD1-CB 3.86Å; I290-Q647 HydrophobicContact CD1-CG 4.34Å; I290-Q647 HydrophobicContact CG1-CB 3.82Å; I290-Q647 HydrophobicContact CG2-CB 4.19Å; I290-Q648 WeakPolarHBondContact CG1-O 3.29Å; I290-T649 HydrophobicContact CB-CG2 4.21Å
291D96.9Very high96Very high1 Ų137.3 Ų37.31%0.00516%0.161CC..  trans-80.5154.2172.3-175.544.3000112.3M293 A298 I300 S329D291-M293 VanDerWaalsContact OD1-CG 3.31Å; D291-M293 WeakPolarHBondContact OD1-CG 3.3Å; D291-M293 PolarHBondContact OD1-N 2.97Å; D291-M293 PolarHBondContact OD2-N 3.36Å; D291-A298 HydrophobicContact CB-CB 4.18Å; D291-A298 PolarHBondContact N-O 2.99Å; D291-I300 HydrophobicContact CB-CD1 4.31Å; D291-I300 HydrophobicContact CB-CG2 4.14Å; D291-S329 VanDerWaalsContact CG-CB 3.46Å; D291-S329 WeakPolarHBondContact OD2-CB 3.03Å; D291-S329 PolarHBondContact OD2-OG 3.01Å
292V96.2Very high96.2Very high2 Ų237 Ų371%0.01216%0.158CC..  trans-132.15.5-179.7-59.60000113.1D294 F392 A563 Y632 Y639V292-D294 VanDerWaalsContact C-N 3.27Å; V292-D294 PolarHBondContact O-N 3.28Å; V292-F392 HydrophobicContact CB-CD1 4.04Å; V292-F392 HydrophobicContact CB-CE1 4.46Å; V292-F392 HydrophobicContact CG2-CD1 3.52Å; V292-F392 HydrophobicContact CG2-CE1 3.82Å; V292-F392 VanDerWaalsContact O-CE1 3.29Å; V292-F392 WeakPolarHBondContact O-CE1 3.28Å; V292-A563 HydrophobicContact CB-CB 3.79Å; V292-A563 HydrophobicContact CG1-CB 4.24Å; V292-A563 WeakPolarHBondContact O-CB 3.38Å; V292-Y632 HydrophobicContact CB-CG 4.5Å; V292-Y632 HydrophobicContact CG1-CD2 4.42Å; V292-Y632 HydrophobicContact CG1-CG 4.3Å; V292-Y632 HydrophobicContact CG2-CD1 3.41Å; V292-Y632 VanDerWaalsContact CG2-CD1 3.41Å; V292-Y632 HydrophobicContact CG2-CD2 3.92Å; V292-Y632 HydrophobicContact CG2-CE1 3.96Å; V292-Y632 HydrophobicContact CG2-CE2 4.42Å; V292-Y632 HydrophobicContact CG2-CG 3.39Å; V292-Y639 HydrophobicContact CG1-CD1 3.95Å; V292-Y639 HydrophobicContact CG1-CD2 4.08Å; V292-Y639 HydrophobicContact CG1-CE1 3.83Å; V292-Y639 HydrophobicContact CG1-CE2 3.96Å; V292-Y639 HydrophobicContact CG1-CG 4.08Å
293M95.8Very high96.3Very high11 Ų1128.4 Ų28.45%0.05413%0.126CC..SBendtrans-76.3-14.6-177.7-58.4-64.1-61.100113.3D291 K328 F392 D747 I749D291-M293 VanDerWaalsContact OD1-CG 3.31Å; D291-M293 WeakPolarHBondContact OD1-CG 3.3Å; D291-M293 PolarHBondContact OD1-N 2.97Å; D291-M293 PolarHBondContact OD2-N 3.36Å; M293-K328 HydrophobicContact CB-CD 3.96Å; M293-K328 HydrophobicContact CB-CG 4.05Å; M293-K328 HydrophobicContact CE-CD 3.94Å; M293-K328 HydrophobicContact CE-CG 3.64Å; M293-K328 HydrophobicContact CG-CG 4.45Å; M293-F392 HydrophobicContact CE-CZ 4.48Å; M293-F392 HydrophobicContact SD-CE1 4.04Å; M293-F392 HydrophobicContact SD-CZ 3.97Å; M293-D747 VanDerWaalsContact CE-OD1 3.31Å; M293-D747 WeakPolarHBondContact CE-OD1 3.48Å; M293-D747 WeakPolarHBondContact CE-OD2 3.25Å; M293-I749 HydrophobicContact CE-CB 4.23Å; M293-I749 HydrophobicContact SD-CB 4.18Å; M293-I749 HydrophobicContact SD-CD1 4.08Å; M293-I749 HydrophobicContact SD-CG2 4.36Å
294D93.9Very high96.3Very high7 Ų725.7 Ų25.74%0.03711%0.114CC..SBendtrans-134.3177.2163.370.129.3000110.3V292 L296V292-D294 VanDerWaalsContact C-N 3.27Å; V292-D294 PolarHBondContact O-N 3.28Å; D294-L296 VanDerWaalsContact C-N 3.34Å; D294-L296 WeakPolarHBondContact OD1-CA 2.87Å; D294-L296 WeakPolarHBondContact OD1-CB 3.17Å; D294-L296 PolarHBondContact OD1-N 3.07Å
295A95.2Very high96.3Very high1 Ų128.4 Ų28.41%0.00812%0.122CC..SBendtrans-88.58.6177.800000114.4H560 R561 N562 N641 T642A295-H560 HydrophobicContact CB-CB 3.63Å; A295-H560 WeakPolarHBondContact CB-O 3.3Å; A295-R561 PolarHBondContact N-O 3.1Å; A295-N562 WeakPolarHBondContact CB-O 3.45Å; A295-N641 CarbonylContact O-C 3.56Å; A295-N641 VanDerWaalsContact O-CA 3.3Å; A295-N641 WeakPolarHBondContact O-CA 3.3Å; A295-N641 WeakPolarHBondContact O-CB 3.28Å; A295-T642 PolarHBondContact O-N 3.4Å
296L95Very high96.1Very high1 Ų126.9 Ų26.91%0.00513%0.13CC..SBendtrans-82.5-24.1-179.3-155.675.9000112.1D294 V320 I436 L458 L459 N641 T642D294-L296 VanDerWaalsContact C-N 3.34Å; D294-L296 WeakPolarHBondContact OD1-CA 2.87Å; D294-L296 WeakPolarHBondContact OD1-CB 3.17Å; D294-L296 PolarHBondContact OD1-N 3.07Å; L296-V320 HydrophobicContact CD2-CG1 4.29Å; L296-V320 HydrophobicContact CG-CG1 4.08Å; L296-V320 VanDerWaalsContact O-CG1 3.3Å; L296-V320 WeakPolarHBondContact O-CG1 3.27Å; L296-I436 HydrophobicContact CD1-CD1 3.48Å; L296-I436 VanDerWaalsContact CD1-CD1 3.48Å; L296-I436 HydrophobicContact CD1-CG1 3.88Å; L296-I436 HydrophobicContact CG-CD1 3.87Å; L296-L458 HydrophobicContact CD2-CB 3.46Å; L296-L458 VanDerWaalsContact CD2-CB 3.46Å; L296-L458 HydrophobicContact CD2-CD1 4.29Å; L296-L459 HydrophobicContact CD1-CB 4.42Å; L296-L459 HydrophobicContact CD1-CD1 4.09Å; L296-N641 VanDerWaalsContact O-CB 3.26Å; L296-N641 WeakPolarHBondContact O-CB 3.37Å; L296-N641 PolarHBondContact O-ND2 3.08Å; L296-T642 HydrophobicContact CD1-CG2 4.02Å
297G95Very high95.9Very high5 Ų523.7 Ų23.75%0.05212%0.124CC..  trans70.148.917700000112.3N299 Q647G297-N299 PolarHBondContact O-N 3.47Å; G297-Q647 PolarHBondContact O-NE2 3.09Å; G297-Q647 PolarHBondContact O-OE1 3.46Å
298A97Very high95.7Very high0 Ų026.5 Ų26.50%014%0.136CC..  trans-57.2134-178.300000111.6D291 N321 L325 L458D291-A298 HydrophobicContact CB-CB 4.18Å; D291-A298 PolarHBondContact N-O 2.99Å; A298-N321 HydrophobicContact CB-CB 3.98Å; A298-L325 HydrophobicContact CB-CD1 3.89Å; A298-L458 HydrophobicContact CB-CD1 3.66Å
299N97.4Very high95.6Very high6 Ų622.1 Ų22.13%0.03212%0.116CC..EExtended strand (participates in β ladder)trans-73.6131.9177.5-78.18.1000109.7I290 G297 R315 N317 N321 Q647I290-N299 WeakPolarHBondContact CD1-OD1 3.16Å; G297-N299 PolarHBondContact O-N 3.47Å; N299-R315 HydrophobicContact CB-CB 4.04Å; N299-R315 PolarHBondContact ND2-NH2 2.56Å; N299-R315 PolarHBondContact O-N 3.07Å; N299-N317 HydrophobicContact CB-CB 4.08Å; N299-N317 WeakPolarHBondContact ND2-CB 3.42Å; N299-N317 PolarHBondContact ND2-ND2 2.74Å; N299-N317 VanDerWaalsContact ND2-ND2 3.12Å; N299-N321 PolarHBondContact N-OD1 3Å; N299-Q647 PolarHBondContact OD1-NE2 3.1Å; N299-Q647 VanDerWaalsContact OD1-NE2 3.07Å
300I98Very high95.5Very high0 Ų022.4 Ų22.40%012%0.118CC..EExtended strand (participates in β ladder)trans-134.2160.7-175.658.5170.3000113.3E288 S289 D291 V302 I312 I313 L325 Y632E288-I300 WeakPolarHBondContact CA-O 3.4Å; S289-I300 PolarHBondContact N-O 3.34Å; S289-I300 WeakPolarHBondContact O-CG1 3.36Å; S289-I300 PolarHBondContact O-N 2.91Å; S289-I300 VanDerWaalsContact O-O 3.06Å; D291-I300 HydrophobicContact CB-CD1 4.31Å; D291-I300 HydrophobicContact CB-CG2 4.14Å; I300-V302 HydrophobicContact CD1-CG2 4.02Å; I300-I312 HydrophobicContact CB-CG2 3.79Å; I300-I312 HydrophobicContact CD1-CG2 3.84Å; I300-I312 HydrophobicContact CG1-CG2 4.38Å; I300-I312 HydrophobicContact CG2-CG2 3.82Å; I300-I313 CarbonylContact C-O 3.56Å; I300-I313 WeakPolarHBondContact CA-O 3.38Å; I300-L325 HydrophobicContact CG2-CD1 3.66Å; I300-L325 HydrophobicContact CG2-CD2 3.98Å; I300-L325 HydrophobicContact CG2-CG 4.49Å; I300-Y632 HydrophobicContact CD1-CE2 4.14Å
301V97.8Very high95.5Very high24 Ų2423.4 Ų23.415%0.14512%0.122CC..EExtended strand (participates in β ladder)trans-114.1110165.9-173.10000108.5R286 S303 I313 R315R286-V301 HydrophobicContact CB-CG1 3.65Å; R286-V301 HydrophobicContact CG-CG1 4.13Å; V301-S303 PolarHBondContact O-N 2.79Å; V301-I313 PolarHBondContact N-O 2.88Å; V301-I313 PolarHBondContact O-N 2.98Å; V301-I313 VanDerWaalsContact O-N 3.14Å; V301-R315 HydrophobicContact CG2-CB 3.93Å; V301-R315 HydrophobicContact CG2-CG 4.46Å
302V97.4Very high95.5Very high0 Ų023.6 Ų23.60%012%0.122CC..EExtended strand (participates in β ladder)trans-78.1115.4172.3-174.50000107.8I287 I300 V309 T633 A652I287-V302 PolarHBondContact N-O 3.45Å; I287-V302 PolarHBondContact O-N 3.23Å; I300-V302 HydrophobicContact CD1-CG2 4.02Å; V302-V309 HydrophobicContact CG1-CB 4.38Å; V302-V309 HydrophobicContact CG1-CG1 3.79Å; V302-V309 HydrophobicContact CG1-CG2 3.77Å; V302-T633 HydrophobicContact CG1-CG2 4.43Å; V302-T633 HydrophobicContact CG2-CG2 4.22Å; V302-A652 HydrophobicContact CB-CB 3.99Å; V302-A652 HydrophobicContact CG1-CB 3.76Å; V302-A652 HydrophobicContact CG2-CB 4.44Å
303S96.8Very high95.5Very high0 Ų025.2 Ų25.20%013%0.131CC..EExtended strand (participates in β ladder)trans-92.6115175-59.90000109.4R285 V301 L310 R311R285-S303 WeakPolarHBondContact O-CA 3.4Å; V301-S303 PolarHBondContact O-N 2.79Å; S303-L310 PolarHBondContact O-N 2.87Å; S303-R311 WeakPolarHBondContact CB-O 3.46Å; S303-R311 PolarHBondContact N-O 3.37Å; S303-R311 PolarHBondContact O-N 3.07Å
304M94.9Very high95.6Very high15 Ų1525.5 Ų25.57%0.07413%0.133CC..EExtended strand (participates in β ladder)trans-124.9154.7-175.874.177.967.300113.2T284 R285 I287 Q308 A652 V653T284-M304 WeakPolarHBondContact CA-O 3.49Å; R285-M304 HydrophobicContact CB-CG 4.14Å; R285-M304 HydrophobicContact CB-SD 3.86Å; R285-M304 HydrophobicContact CG-SD 4.28Å; R285-M304 PolarHBondContact N-O 3.36Å; R285-M304 PolarHBondContact O-N 2.86Å; I287-M304 HydrophobicContact CD1-CG 3.95Å; M304-Q308 VanDerWaalsContact CA-O 3.25Å; M304-Q308 WeakPolarHBondContact CA-O 3.45Å; M304-Q308 WeakPolarHBondContact CB-O 3.47Å; M304-A652 WeakPolarHBondContact CE-O 3.25Å; M304-V653 HydrophobicContact CB-CG1 4.02Å; M304-V653 HydrophobicContact CE-CG1 3.88Å
305R94.5Very high95.7Very high72 Ų7228.3 Ų28.327%0.27214%0.143SC..EExtended strand (participates in β ladder)trans-145.3141.3171.4-174.4-175.765.6-178.6-12.2108T278 E283 N307 Q308 L310T278-R305 PolarHBondContact O-NH2 2.91Å; T278-R305 VanDerWaalsContact O-NH2 3.1Å; E283-R305 IonicContact OE1-CZ 2.8Å; E283-R305 IonicContact OE1-NH1 3.34Å; E283-R305 PolarHBondContact OE1-NH1 2.8Å; E283-R305 WeakPolarHBondContact OE2-CD 3.2Å; E283-R305 IonicContact OE2-CZ 2.66Å; E283-R305 IonicContact OE2-NE 3.62Å; E283-R305 IonicContact OE2-NH1 3.63Å; E283-R305 PolarHBondContact OE2-NH1 3.45Å; R305-N307 VanDerWaalsContact C-N 3.28Å; R305-N307 PolarHBondContact O-N 2.93Å; R305-N307 VanDerWaalsContact O-N 3.08Å; R305-Q308 PolarHBondContact N-O 3.14Å; R305-Q308 PolarHBondContact O-N 2.9Å; R305-L310 HydrophobicContact CB-CD1 3.41Å; R305-L310 VanDerWaalsContact CB-CD1 3.41Å; R305-L310 HydrophobicContact CB-CG 4.3Å
306T91.6Very high95.7Very high121 Ų12132.8 Ų32.874%0.74217%0.167SC*.THydrogen-bonded Turntrans46.345.8170.849.60000114.9Q308T306-Q308 VanDerWaalsContact C-N 3.29Å; T306-Q308 PolarHBondContact O-N 2.82Å
307N91.8Very high95.7Very high80 Ų8034 Ų3443%0.42817%0.173SC..THydrogen-bonded Turntrans59.527.1-175.9-151.874.1000116R305 V654R305-N307 VanDerWaalsContact C-N 3.28Å; R305-N307 PolarHBondContact O-N 2.93Å; R305-N307 VanDerWaalsContact O-N 3.08Å; N307-V654 PolarHBondContact ND2-O 2.98Å; N307-V654 PolarHBondContact OD1-N 3.38Å
308Q93.6Very high95.7Very high99 Ų9937.7 Ų37.746%0.46319%0.189SC..EExtended strand (participates in β ladder)trans-125.7134.6174.3-173.9178.26.700110.3M304 R305 T306M304-Q308 VanDerWaalsContact CA-O 3.25Å; M304-Q308 WeakPolarHBondContact CA-O 3.45Å; M304-Q308 WeakPolarHBondContact CB-O 3.47Å; R305-Q308 PolarHBondContact N-O 3.14Å; R305-Q308 PolarHBondContact O-N 2.9Å; T306-Q308 VanDerWaalsContact C-N 3.29Å; T306-Q308 PolarHBondContact O-N 2.82Å
309V95.9Very high95.5Very high14 Ų1440.3 Ų40.39%0.08520%0.203CC..EExtended strand (participates in β ladder)trans-74.5126.9167.3179.80000108.5V302 I312 Y333 T633 V653V302-V309 HydrophobicContact CG1-CB 4.38Å; V302-V309 HydrophobicContact CG1-CG1 3.79Å; V302-V309 HydrophobicContact CG1-CG2 3.77Å; V309-I312 HydrophobicContact CG1-CG1 4.29Å; V309-Y333 HydrophobicContact CG1-CD2 4.37Å; V309-Y333 HydrophobicContact CG1-CG 4.36Å; V309-T633 HydrophobicContact CG2-CG2 4.47Å; V309-V653 HydrophobicContact CG2-CG1 3.87Å; V309-V653 HydrophobicContact CG2-CG2 4.16Å
310L95Very high95.4Very high9 Ų940 Ų405%0.04720%0.202CC..EExtended strand (participates in β ladder)trans-105.7-33.3-176.2-65.6170.5000113.1Y275 A279 T284 S303 R305 Y333Y275-L310 HydrophobicContact CD2-CB 4.5Å; Y275-L310 WeakPolarHBondContact CD2-O 3.43Å; Y275-L310 HydrophobicContact CE2-CB 4.09Å; A279-L310 HydrophobicContact CB-CD1 3.49Å; A279-L310 VanDerWaalsContact CB-CD1 3.49Å; A279-L310 HydrophobicContact CB-CD2 4.47Å; A279-L310 HydrophobicContact CB-CG 4.46Å; T284-L310 HydrophobicContact CG2-CD1 3.98Å; S303-L310 PolarHBondContact O-N 2.87Å; R305-L310 HydrophobicContact CB-CD1 3.41Å; R305-L310 VanDerWaalsContact CB-CD1 3.41Å; R305-L310 HydrophobicContact CB-CG 4.3Å; L310-Y333 WeakPolarHBondContact O-CE2 3.47Å; L310-Y333 PolarHBondContact O-OH 3.28Å
311R95.9Very high95.2Very high24 Ų2440.1 Ų40.19%0.09120%0.202CC..EExtended strand (participates in β ladder)trans-163.4159.7174.560.6179.5-177.1-178.29.2110.7E171 Y275 S303E171-R311 VanDerWaalsContact CD-NH2 3.28Å; E171-R311 IonicContact OE1-CZ 2.72Å; E171-R311 VanDerWaalsContact OE1-CZ 3.23Å; E171-R311 IonicContact OE1-NH1 2.77Å; E171-R311 PolarHBondContact OE1-NH1 3.29Å; E171-R311 IonicContact OE1-NH2 3.85Å; E171-R311 PolarHBondContact OE1-NH2 3.04Å; E171-R311 IonicContact OE2-CZ 2.88Å; E171-R311 IonicContact OE2-NH1 3.78Å; E171-R311 IonicContact OE2-NH2 3.75Å; E171-R311 PolarHBondContact OE2-NH2 3.2Å; Y275-R311 HydrophobicContact CD2-CB 3.86Å; Y275-R311 HydrophobicContact CD2-CG 4.09Å; Y275-R311 HydrophobicContact CE2-CB 4.24Å; Y275-R311 HydrophobicContact CE2-CG 3.94Å; Y275-R311 HydrophobicContact CG-CB 4.36Å; S303-R311 WeakPolarHBondContact CB-O 3.46Å; S303-R311 PolarHBondContact N-O 3.37Å; S303-R311 PolarHBondContact O-N 3.07Å
312I97.5Very high95Very high4 Ų439.4 Ų39.42%0.02120%0.197CC..EExtended strand (participates in β ladder)trans-117.4136.7170.3-59.8-179.8000108I300 V309 L325 Y333 Y632I300-I312 HydrophobicContact CB-CG2 3.79Å; I300-I312 HydrophobicContact CD1-CG2 3.84Å; I300-I312 HydrophobicContact CG1-CG2 4.38Å; I300-I312 HydrophobicContact CG2-CG2 3.82Å; V309-I312 HydrophobicContact CG1-CG1 4.29Å; I312-L325 HydrophobicContact CG2-CD2 3.85Å; I312-Y333 HydrophobicContact CG1-CD1 4.5Å; I312-Y632 VanDerWaalsContact CD1-OH 3.25Å; I312-Y632 WeakPolarHBondContact CD1-OH 3.26Å
313I96Very high94.9Very high37 Ų3742.1 Ų42.119%0.1921%0.21CC..EExtended strand (participates in β ladder)trans-126.1144.8178-53.9178.1000107.1I300 V301I300-I313 CarbonylContact C-O 3.56Å; I300-I313 WeakPolarHBondContact CA-O 3.38Å; V301-I313 PolarHBondContact N-O 2.88Å; V301-I313 PolarHBondContact O-N 2.98Å; V301-I313 VanDerWaalsContact O-N 3.14Å
314P97.3Very high94.9Very high16 Ų1642.5 Ų42.510%0.10421%0.211CC..EExtended strand (participates in β ladder)trans-54.4155166.719.5-31.1000112.9D263 E323 L325 R330D263-P314 WeakPolarHBondContact OD2-CD 3.48Å; D263-P314 VanDerWaalsContact OD2-CG 3.29Å; D263-P314 WeakPolarHBondContact OD2-CG 3.29Å; P314-E323 VanDerWaalsContact CB-O 3.29Å; P314-E323 WeakPolarHBondContact CB-O 3.23Å; P314-E323 WeakPolarHBondContact CG-O 3.2Å; P314-L325 HydrophobicContact CB-CB 4.06Å; P314-L325 HydrophobicContact CG-CB 4.17Å; P314-R330 VanDerWaalsContact CD-NH2 3.29Å
315R95.8Very high95Very high67 Ų6741.8 Ų41.825%0.25321%0.208SC..  trans-117.7139.7162.8178.6173.769.6123.4-5.5107.9E288 N299 V301 N317 N321E288-R315 VanDerWaalsContact CD-CD 3.42Å; E288-R315 VanDerWaalsContact OE2-CD 3.3Å; E288-R315 WeakPolarHBondContact OE2-CD 3.36Å; E288-R315 IonicContact OE2-CZ 3.3Å; E288-R315 VanDerWaalsContact OE2-CZ 3.23Å; E288-R315 IonicContact OE2-NE 2.87Å; E288-R315 PolarHBondContact OE2-NE 2.93Å; E288-R315 IonicContact OE2-NH1 3.03Å; E288-R315 PolarHBondContact OE2-NH1 3.08Å; N299-R315 HydrophobicContact CB-CB 4.04Å; N299-R315 PolarHBondContact ND2-NH2 2.56Å; N299-R315 PolarHBondContact O-N 3.07Å; V301-R315 HydrophobicContact CG2-CB 3.93Å; V301-R315 HydrophobicContact CG2-CG 4.46Å; R315-N317 PolarHBondContact O-N 3.43Å; R315-N321 PolarHBondContact O-ND2 3.35Å; R315-N321 VanDerWaalsContact O-ND2 3.11Å
316L95.4Very high95.1Very high95 Ų9538.4 Ų38.450%0.49720%0.195SC..  trans-54.1126.6178.9178.265.2000111.1E322 E323L316-E322 CarbonylContact C-O 3.57Å; L316-E322 WeakPolarHBondContact CA-O 3.48Å; L316-E323 HydrophobicContact CD1-CG 3.49Å; L316-E323 VanDerWaalsContact CD1-CG 3.49Å
317N95.3Very high95.3Very high26 Ų2632.7 Ų32.714%0.13916%0.16CC..BIsolated β-bridgetrans-152.799.6168.1-169.44.7000111.5N299 R315 D319 V320 N321 E322N299-N317 HydrophobicContact CB-CB 4.08Å; N299-N317 WeakPolarHBondContact ND2-CB 3.42Å; N299-N317 PolarHBondContact ND2-ND2 2.74Å; N299-N317 VanDerWaalsContact ND2-ND2 3.12Å; R315-N317 PolarHBondContact O-N 3.43Å; N317-D319 PolarHBondContact O-N 3Å; N317-D319 VanDerWaalsContact O-N 3.07Å; N317-D319 PolarHBondContact OD1-N 3.46Å; N317-V320 VanDerWaalsContact ND2-CG2 3.31Å; N317-V320 WeakPolarHBondContact ND2-CG2 3.39Å; N317-V320 PolarHBondContact O-N 3.11Å; N317-V320 VanDerWaalsContact O-N 3.1Å; N317-N321 PolarHBondContact O-N 2.71Å; N317-E322 PolarHBondContact N-O 3.19Å; N317-E322 WeakPolarHBondContact O-CA 3.47Å; N317-E322 PolarHBondContact O-N 2.71Å
318E94.1Very high95.5Very high83 Ų8329.3 Ų29.339%0.38814%0.141SC..THydrogen-bonded Turntrans-50.3-31.1175.9-61.5-58151.900113.8R103 T437 R462R103-E318 IonicContact CZ-OE1 3.93Å; R103-E318 IonicContact CZ-OE2 3.94Å; R103-E318 IonicContact NH1-OE1 2.7Å; R103-E318 IonicContact NH1-OE2 2.81Å; R103-E318 PolarHBondContact NH1-OE2 2.85Å; R103-E318 IonicContact NH2-OE1 3.03Å; R103-E318 PolarHBondContact NH2-OE1 3.46Å; R103-E318 IonicContact NH2-OE2 3.82Å; R103-E318 PolarHBondContact NH2-OE2 3.46Å; E318-T437 WeakPolarHBondContact O-CG2 3.39Å; E318-R462 PolarHBondContact O-NH1 3Å; E318-R462 VanDerWaalsContact O-NH1 3.13Å; E318-R462 PolarHBondContact O-NH2 3.42Å
319D94.2Very high95.6Very high55 Ų5524.7 Ų24.729%0.29412%0.12SC..THydrogen-bonded Turntrans-81.9-25.2-176.1-936.4000113.8N317 I436 R462 R645N317-D319 PolarHBondContact O-N 3Å; N317-D319 VanDerWaalsContact O-N 3.07Å; N317-D319 PolarHBondContact OD1-N 3.46Å; D319-I436 WeakPolarHBondContact O-CB 3.45Å; D319-R462 VanDerWaalsContact C-NH2 3.33Å; D319-R645 VanDerWaalsContact CB-NH2 3.32Å; D319-R645 VanDerWaalsContact CG-NH2 3.31Å; D319-R645 IonicContact OD2-CZ 3.77Å; D319-R645 IonicContact OD2-NH1 3.46Å; D319-R645 PolarHBondContact OD2-NH1 2.71Å; D319-R645 IonicContact OD2-NH2 2.69Å; D319-R645 PolarHBondContact OD2-NH2 3.35Å
320V94.5Very high95.7Very high0 Ų024.4 Ų24.40%012%0.117CC..THydrogen-bonded Turntrans-122.1-82.3-171.3-178.60000111L296 N317 I436 R462L296-V320 HydrophobicContact CD2-CG1 4.29Å; L296-V320 HydrophobicContact CG-CG1 4.08Å; L296-V320 VanDerWaalsContact O-CG1 3.3Å; L296-V320 WeakPolarHBondContact O-CG1 3.27Å; N317-V320 VanDerWaalsContact ND2-CG2 3.31Å; N317-V320 WeakPolarHBondContact ND2-CG2 3.39Å; N317-V320 PolarHBondContact O-N 3.11Å; N317-V320 VanDerWaalsContact O-N 3.1Å; V320-I436 HydrophobicContact CB-CD1 4.49Å; V320-I436 HydrophobicContact CG1-CD1 4.19Å; V320-I436 HydrophobicContact CG2-CD1 4.28Å; V320-R462 VanDerWaalsContact C-NH2 3.28Å; V320-R462 PolarHBondContact O-NE 3.27Å; V320-R462 PolarHBondContact O-NH2 3.35Å
321N94.5Very high95.8Very high2 Ų224 Ų241%0.01112%0.115CC..THydrogen-bonded Turntrans-103.83.4-167.662.1-77.4000115.2A298 N299 R315 N317 E323 W324 L458A298-N321 HydrophobicContact CB-CB 3.98Å; N299-N321 PolarHBondContact N-OD1 3Å; R315-N321 PolarHBondContact O-ND2 3.35Å; R315-N321 VanDerWaalsContact O-ND2 3.11Å; N317-N321 PolarHBondContact O-N 2.71Å; N321-E323 PolarHBondContact O-N 3.44Å; N321-E323 VanDerWaalsContact O-N 3.17Å; N321-W324 WeakPolarHBondContact CB-O 3.45Å; N321-W324 PolarHBondContact ND2-O 3.42Å; N321-W324 WeakPolarHBondContact O-CB 3.31Å; N321-W324 PolarHBondContact O-N 2.99Å; N321-L458 HydrophobicContact CB-CD1 3.87Å; N321-L458 HydrophobicContact CB-CD2 4.43Å
322E93.3Very high95.7Very high8 Ų822.9 Ų22.94%0.03711%0.111CC..BIsolated β-bridgetrans50.4-115.5-165.1-57.6-169.4129.300110.4R103 L316 N317 W324 K465R103-E322 WeakPolarHBondContact CD-OE1 3.47Å; R103-E322 IonicContact CZ-OE1 3.15Å; R103-E322 IonicContact NH1-OE1 3.66Å; R103-E322 PolarHBondContact NH1-OE1 2.75Å; L316-E322 CarbonylContact C-O 3.57Å; L316-E322 WeakPolarHBondContact CA-O 3.48Å; N317-E322 PolarHBondContact N-O 3.19Å; N317-E322 WeakPolarHBondContact O-CA 3.47Å; N317-E322 PolarHBondContact O-N 2.71Å; E322-W324 PolarHBondContact OE2-NE1 3.1Å; E322-K465 IonicContact OE1-NZ 2.69Å; E322-K465 PolarHBondContact OE1-NZ 3.29Å
323E94Very high95.7Very high57 Ų5723.5 Ų23.527%0.26611%0.113SC..THydrogen-bonded Turntrans-110.38.3175.1-64-179.1121.900112.3H101 P314 L316 N321H101-E323 IonicContact CE1-OE2 3.17Å; H101-E323 PolarHBondContact CE1-OE2 3.27Å; H101-E323 IonicContact ND1-OE2 2.74Å; H101-E323 IonicContact NE2-OE2 2.92Å; P314-E323 VanDerWaalsContact CB-O 3.29Å; P314-E323 WeakPolarHBondContact CB-O 3.23Å; P314-E323 WeakPolarHBondContact CG-O 3.2Å; L316-E323 HydrophobicContact CD1-CG 3.49Å; L316-E323 VanDerWaalsContact CD1-CG 3.49Å; N321-E323 PolarHBondContact O-N 3.44Å; N321-E323 VanDerWaalsContact O-N 3.17Å
324W97Very high95.7Very high9 Ų922.9 Ų22.93%0.03411%0.11CC..  trans-100.4160-168.5-46.1121.2000112.6H101 R103 F224 I228 N260 L264 N321 E322 L458H101-W324 AromaticContact CE1-CH2 3.87Å; R103-W324 HydrophobicContact CB-CH2 4.24Å; R103-W324 HydrophobicContact CB-CZ2 3.49Å; R103-W324 VanDerWaalsContact CB-CZ2 3.49Å; R103-W324 HydrophobicContact CG-CZ2 4.14Å; F224-W324 HydrophobicContact CD2-CE3 4.34Å; F224-W324 AromaticContact CD2-CH2 3.77Å; F224-W324 HydrophobicContact CD2-CH2 3.77Å; F224-W324 HydrophobicContact CD2-CZ2 4.35Å; F224-W324 AromaticContact CD2-CZ3 3.79Å; F224-W324 HydrophobicContact CD2-CZ3 3.79Å; F224-W324 HydrophobicContact CE2-CD2 4.08Å; F224-W324 AromaticContact CE2-CE3 3.69Å; F224-W324 HydrophobicContact CE2-CE3 3.69Å; F224-W324 AromaticContact CE2-CH2 3.91Å; F224-W324 HydrophobicContact CE2-CH2 3.91Å; F224-W324 HydrophobicContact CE2-CZ2 4.29Å; F224-W324 AromaticContact CE2-CZ3 3.61Å; F224-W324 HydrophobicContact CE2-CZ3 3.61Å; I228-W324 HydrophobicContact CD1-CH2 3.98Å; I228-W324 HydrophobicContact CD1-CZ2 3.21Å; N260-W324 HydrophobicContact CB-CE3 4.08Å; L264-W324 HydrophobicContact CD1-CH2 4.15Å; L264-W324 HydrophobicContact CD1-CZ3 3.83Å; L264-W324 HydrophobicContact CD2-CH2 3.98Å; L264-W324 HydrophobicContact CD2-CZ3 3.98Å; L264-W324 HydrophobicContact CG-CH2 4.36Å; L264-W324 HydrophobicContact CG-CZ3 3.93Å; N321-W324 WeakPolarHBondContact CB-O 3.45Å; N321-W324 PolarHBondContact ND2-O 3.42Å; N321-W324 WeakPolarHBondContact O-CB 3.31Å; N321-W324 PolarHBondContact O-N 2.99Å; E322-W324 PolarHBondContact OE2-NE1 3.1Å; W324-L458 HydrophobicContact CB-CD2 3.46Å; W324-L458 VanDerWaalsContact CB-CD2 3.46Å
325L96.8Very high95.6Very high0 Ų022.1 Ų22.10%011%0.105CC..  trans-143.4140173.3-170.559.7000110.8N260 A298 I300 I312 P314 R330N260-L325 PolarHBondContact ND2-O 3.49Å; N260-L325 PolarHBondContact OD1-N 3.31Å; N260-L325 PolarHBondContact OD1-O 2.89Å; A298-L325 HydrophobicContact CB-CD1 3.89Å; I300-L325 HydrophobicContact CG2-CD1 3.66Å; I300-L325 HydrophobicContact CG2-CD2 3.98Å; I300-L325 HydrophobicContact CG2-CG 4.49Å; I312-L325 HydrophobicContact CG2-CD2 3.85Å; P314-L325 HydrophobicContact CB-CB 4.06Å; P314-L325 HydrophobicContact CG-CB 4.17Å; L325-R330 HydrophobicContact CD2-CB 3.96Å; L325-R330 HydrophobicContact CG-CB 4.28Å
326A97Very high95.5Very high1 Ų119.5 Ų19.51%0.00810%0.096CC..  trans-63.4142.8172.800000111.4K328 S329 R330 P457A326-K328 VanDerWaalsContact C-N 3.26Å; A326-K328 PolarHBondContact O-N 3.17Å; A326-S329 WeakPolarHBondContact O-CB 3.44Å; A326-S329 PolarHBondContact O-N 2.76Å; A326-S329 VanDerWaalsContact O-N 3.09Å; A326-R330 WeakPolarHBondContact O-CB 3.35Å; A326-R330 PolarHBondContact O-N 3.28Å; A326-P457 HydrophobicContact CB-CB 4.22Å; A326-P457 HydrophobicContact CB-CG 3.97Å
327D96.8Very high95.4Very high0 Ų018.8 Ų18.80%010%0.099CC..Hα-helixtrans-63.9-33-177.2-82.9-13.8000112.7L207 S255 E256 S258 G259 S329 R330 F331 Y744L207-D327 HydrophobicContact CD1-CB 4.08Å; S255-D327 VanDerWaalsContact O-OD2 3.05Å; E256-D327 WeakPolarHBondContact O-CB 3.43Å; E256-D327 PolarHBondContact O-N 2.93Å; S258-D327 WeakPolarHBondContact CA-OD2 3.49Å; S258-D327 VanDerWaalsContact CB-OD2 3.31Å; S258-D327 WeakPolarHBondContact CB-OD2 3.38Å; S258-D327 PolarHBondContact N-OD2 3.5Å; S258-D327 PolarHBondContact OG-OD2 3.31Å; G259-D327 VanDerWaalsContact CA-OD1 3.23Å; G259-D327 WeakPolarHBondContact CA-OD1 3.31Å; G259-D327 PolarHBondContact N-OD1 2.74Å; G259-D327 PolarHBondContact N-OD2 2.86Å; D327-S329 PolarHBondContact O-N 3.31Å; D327-R330 PolarHBondContact O-N 3.03Å; D327-F331 HydrophobicContact CB-CD2 4.08Å; D327-F331 HydrophobicContact CB-CE2 4.32Å; D327-F331 WeakPolarHBondContact O-CB 3.46Å; D327-F331 VanDerWaalsContact O-CD2 3.23Å; D327-F331 WeakPolarHBondContact O-CD2 3.48Å; D327-F331 PolarHBondContact O-N 3.3Å; D327-Y744 HydrophobicContact CB-CE1 4.46Å
328K95.6Very high95.3Very high10 Ų1021.7 Ų21.74%0.04311%0.108CC..Hα-helixtrans-52.7-55.6169.6-176.8-177.3-58.8-176.70110.9M293 A326 R330 F331 S332 Y743 T746M293-K328 HydrophobicContact CB-CD 3.96Å; M293-K328 HydrophobicContact CB-CG 4.05Å; M293-K328 HydrophobicContact CE-CD 3.94Å; M293-K328 HydrophobicContact CE-CG 3.64Å; M293-K328 HydrophobicContact CG-CG 4.45Å; A326-K328 VanDerWaalsContact C-N 3.26Å; A326-K328 PolarHBondContact O-N 3.17Å; K328-R330 PolarHBondContact O-N 2.7Å; K328-F331 PolarHBondContact O-N 2.85Å; K328-S332 WeakPolarHBondContact O-CB 3.4Å; K328-S332 PolarHBondContact O-N 3.03Å; K328-S332 PolarHBondContact O-OG 3.48Å; K328-S332 VanDerWaalsContact O-OG 3.11Å; K328-Y743 HydrophobicContact CB-CE1 4.42Å; K328-Y743 HydrophobicContact CB-CE2 4.47Å; K328-Y743 WeakPolarHBondContact CB-OH 3.2Å; K328-Y743 WeakPolarHBondContact CE-O 3.27Å; K328-Y743 PolarHBondContact N-OH 3.36Å; K328-Y743 PolarHBondContact NZ-O 2.87Å; K328-T746 WeakPolarHBondContact CE-OG1 3.43Å; K328-T746 VanDerWaalsContact NZ-CG2 3.33Å; K328-T746 PolarHBondContact NZ-OG1 2.97Å
329S96.1Very high95.3Very high1 Ų123.5 Ų23.51%0.00712%0.117CC..Hα-helixtrans-65.1-36.3179.6-43.10000113.5D291 A326 D327D291-S329 VanDerWaalsContact CG-CB 3.46Å; D291-S329 WeakPolarHBondContact OD2-CB 3.03Å; D291-S329 PolarHBondContact OD2-OG 3.01Å; A326-S329 WeakPolarHBondContact O-CB 3.44Å; A326-S329 PolarHBondContact O-N 2.76Å; A326-S329 VanDerWaalsContact O-N 3.09Å; D327-S329 PolarHBondContact O-N 3.31Å
330R96.6Very high95.4Very high8 Ų822.4 Ų22.43%0.0311%0.108CC..Hα-helixtrans-69.4-31.8179.3-176.1176.7-72.9-82.45.7113.2N260 D263 P314 L325 A326 D327 K328 Y333N260-R330 PolarHBondContact OD1-NH2 2.95Å; D263-R330 IonicContact OD1-CZ 3.31Å; D263-R330 IonicContact OD1-NH1 3.79Å; D263-R330 PolarHBondContact OD1-NH1 3.05Å; D263-R330 IonicContact OD2-CZ 2.71Å; D263-R330 IonicContact OD2-NH1 3.75Å; D263-R330 PolarHBondContact OD2-NH1 2.94Å; D263-R330 IonicContact OD2-NH2 2.74Å; D263-R330 PolarHBondContact OD2-NH2 2.71Å; P314-R330 VanDerWaalsContact CD-NH2 3.29Å; L325-R330 HydrophobicContact CD2-CB 3.96Å; L325-R330 HydrophobicContact CG-CB 4.28Å; A326-R330 WeakPolarHBondContact O-CB 3.35Å; A326-R330 PolarHBondContact O-N 3.28Å; D327-R330 PolarHBondContact O-N 3.03Å; K328-R330 PolarHBondContact O-N 2.7Å; R330-Y333 VanDerWaalsContact O-CD1 3.26Å; R330-Y333 WeakPolarHBondContact O-CD1 3.32Å; R330-Y333 WeakPolarHBondContact O-CE1 3.33Å
331F97.3Very high95.4Very high2 Ų223.1 Ų23.11%0.00911%0.112CC..Hα-helixtrans-123.7-8.3-168-61.6-66.9000115.8L207 I262 P274 D327 K328 Y333 T755 M756L207-F331 HydrophobicContact CB-CD2 4.43Å; L207-F331 HydrophobicContact CB-CE2 3.88Å; L207-F331 HydrophobicContact CB-CZ 3.99Å; L207-F331 HydrophobicContact CD1-CD2 3.84Å; L207-F331 HydrophobicContact CD1-CE2 3.76Å; L207-F331 HydrophobicContact CD2-CB 4.13Å; L207-F331 HydrophobicContact CD2-CD1 4.17Å; L207-F331 HydrophobicContact CD2-CD2 3.48Å; L207-F331 VanDerWaalsContact CD2-CD2 3.48Å; L207-F331 HydrophobicContact CD2-CE1 4.43Å; L207-F331 HydrophobicContact CD2-CE2 3.81Å; L207-F331 HydrophobicContact CD2-CG 3.68Å; L207-F331 HydrophobicContact CD2-CZ 4.27Å; L207-F331 HydrophobicContact CG-CD2 4.1Å; L207-F331 HydrophobicContact CG-CE2 4.01Å; I262-F331 HydrophobicContact CD1-CZ 3.97Å; P274-F331 HydrophobicContact CB-CD1 4.48Å; P274-F331 HydrophobicContact CG-CD1 3.86Å; P274-F331 HydrophobicContact CG-CE1 4.22Å; D327-F331 HydrophobicContact CB-CD2 4.08Å; D327-F331 HydrophobicContact CB-CE2 4.32Å; D327-F331 WeakPolarHBondContact O-CB 3.46Å; D327-F331 VanDerWaalsContact O-CD2 3.23Å; D327-F331 WeakPolarHBondContact O-CD2 3.48Å; D327-F331 PolarHBondContact O-N 3.3Å; K328-F331 PolarHBondContact O-N 2.85Å; F331-Y333 PolarHBondContact O-N 3.2Å; F331-T755 HydrophobicContact CB-CG2 4.05Å; F331-M756 HydrophobicContact CB-CE 3.65Å
332S94.9Very high95.5Very high0 Ų025.9 Ų25.90%013%0.129CC..G310 helixtrans-69.9-9.317767.70000114.6K328 D334 G335 I749K328-S332 WeakPolarHBondContact O-CB 3.4Å; K328-S332 PolarHBondContact O-N 3.03Å; K328-S332 PolarHBondContact O-OG 3.48Å; K328-S332 VanDerWaalsContact O-OG 3.11Å; S332-D334 PolarHBondContact O-N 3.31Å; S332-D334 VanDerWaalsContact O-N 3.1Å; S332-G335 WeakPolarHBondContact O-CA 3.46Å; S332-G335 PolarHBondContact O-N 2.7Å; S332-I749 WeakPolarHBondContact O-CG2 3.42Å
333Y96.4Very high95.6Very high17 Ų1727 Ų277%0.06714%0.136CC..G310 helixtrans-60.5-21.8-176.770-95.1000113.8V309 L310 I312 R330 F331 G335 L336V309-Y333 HydrophobicContact CG1-CD2 4.37Å; V309-Y333 HydrophobicContact CG1-CG 4.36Å; L310-Y333 WeakPolarHBondContact O-CE2 3.47Å; L310-Y333 PolarHBondContact O-OH 3.28Å; I312-Y333 HydrophobicContact CG1-CD1 4.5Å; R330-Y333 VanDerWaalsContact O-CD1 3.26Å; R330-Y333 WeakPolarHBondContact O-CD1 3.32Å; R330-Y333 WeakPolarHBondContact O-CE1 3.33Å; F331-Y333 PolarHBondContact O-N 3.2Å; Y333-G335 VanDerWaalsContact C-N 3.29Å; Y333-L336 WeakPolarHBondContact O-CB 3.4Å; Y333-L336 PolarHBondContact O-N 2.69Å
334D95.9Very high95.7Very high24 Ų2424.3 Ų24.313%0.12812%0.124CC..G310 helixtrans-67.7-32.1172.472.2-24.7000111.7S332 L336 S337 S753 Q754 T755S332-D334 PolarHBondContact O-N 3.31Å; S332-D334 VanDerWaalsContact O-N 3.1Å; D334-L336 VanDerWaalsContact C-N 3.28Å; D334-L336 PolarHBondContact O-N 2.95Å; D334-S337 PolarHBondContact O-N 2.92Å; D334-S337 VanDerWaalsContact O-N 3.09Å; D334-S337 PolarHBondContact O-OG 3.49Å; D334-S753 WeakPolarHBondContact OD1-CA 3.36Å; D334-S753 WeakPolarHBondContact OD1-CB 3.47Å; D334-S753 PolarHBondContact OD1-OG 2.86Å; D334-S753 PolarHBondContact OD2-OG 2.78Å; D334-Q754 WeakPolarHBondContact OD2-CA 3.34Å; D334-Q754 WeakPolarHBondContact OD2-CB 3.43Å; D334-Q754 PolarHBondContact OD2-N 2.8Å; D334-T755 WeakPolarHBondContact OD2-CB 3.38Å; D334-T755 PolarHBondContact OD2-N 3Å; D334-T755 PolarHBondContact OD2-OG1 3.37Å
335G95.3Very high95.7Very high0 Ų026.1 Ų26.10%013%0.132CC..G310 helixtrans-59.7-35172.300000112.6S332 Y333 S337 R338 H615S332-G335 WeakPolarHBondContact O-CA 3.46Å; S332-G335 PolarHBondContact O-N 2.7Å; Y333-G335 VanDerWaalsContact C-N 3.29Å; G335-S337 PolarHBondContact O-N 3.48Å; G335-R338 PolarHBondContact O-N 3.41Å; G335-R338 VanDerWaalsContact O-O 3.07Å; G335-H615 PolarHBondContact O-CE1 2.99Å; G335-H615 PolarHBondContact O-NE2 3.33Å
336L94.9Very high95.6Very high12 Ų1227.3 Ų27.36%0.06314%0.138CC..G310 helixtrans-60.6-17.3175.1-61.6173.7000113.7Y333 D334 R340 A631 Y632 T633 I749Y333-L336 WeakPolarHBondContact O-CB 3.4Å; Y333-L336 PolarHBondContact O-N 2.69Å; D334-L336 VanDerWaalsContact C-N 3.28Å; D334-L336 PolarHBondContact O-N 2.95Å; L336-R340 WeakPolarHBondContact O-CD 3.4Å; L336-R340 WeakPolarHBondContact O-CG 3.17Å; L336-R340 PolarHBondContact O-NH1 3.01Å; L336-A631 HydrophobicContact CD2-CB 3.73Å; L336-Y632 HydrophobicContact CD1-CE1 4.21Å; L336-Y632 HydrophobicContact CD2-CD1 4.47Å; L336-Y632 HydrophobicContact CD2-CE1 4.1Å; L336-T633 HydrophobicContact CD1-CG2 3.83Å; L336-I749 HydrophobicContact CD2-CD1 4.02Å; L336-I749 HydrophobicContact CD2-CG1 4.41Å; L336-I749 HydrophobicContact CD2-CG2 3.99Å; L336-I749 HydrophobicContact CG-CG2 4.19Å
337S92.7Very high95.4Very high79 Ų7930.3 Ų30.355%0.55215%0.151SC*.G310 helixtrans-98.8-6.9176.774.90000114.7D334 G335D334-S337 PolarHBondContact O-N 2.92Å; D334-S337 VanDerWaalsContact O-N 3.09Å; D334-S337 PolarHBondContact O-OG 3.49Å; G335-S337 PolarHBondContact O-N 3.48Å
338R94.3Very high95Very high88 Ų8835.2 Ų35.233%0.33217%0.172SC..SBendtrans-120.3148.3-171-59.8-176.873.7-124.10.6111.5G335 R340 H615 A752G335-R338 PolarHBondContact O-N 3.41Å; G335-R338 VanDerWaalsContact O-O 3.07Å; R338-R340 PolarHBondContact O-N 3.41Å; R338-H615 PolarHBondContact O-CD2 3.3Å; R338-H615 PolarHBondContact O-NE2 3.06Å; R338-A752 PolarHBondContact NH1-O 3.47Å
339Q93.9Very high94.3Very high121 Ų12140.6 Ų40.657%0.56521%0.211SC*.SBendtrans49.628.3179.6-67.7173.6-66.300114.3H615 G616 A752Q339-H615 WeakPolarHBondContact O-CA 3.49Å; Q339-G616 PolarHBondContact O-N 2.67Å; Q339-A752 HydrophobicContact CB-CB 4.46Å
340R95.9Very high93.7Very high32 Ų3246.9 Ų46.912%0.12125%0.245CC..BIsolated β-bridgetrans-72.6143.4-179.3-67.9-60.1-57-78.7-0.9111.3L336 R338 V342 H614 E634 P656L336-R340 WeakPolarHBondContact O-CD 3.4Å; L336-R340 WeakPolarHBondContact O-CG 3.17Å; L336-R340 PolarHBondContact O-NH1 3.01Å; R338-R340 PolarHBondContact O-N 3.41Å; R340-V342 HydrophobicContact CB-CG2 4.36Å; R340-V342 PolarHBondContact O-N 2.83Å; R340-H614 WeakPolarHBondContact CA-O 3.44Å; R340-H614 WeakPolarHBondContact CD-O 3.42Å; R340-H614 PolarHBondContact NE-O 3.32Å; R340-E634 IonicContact CZ-OE1 3.85Å; R340-E634 IonicContact CZ-OE2 2.66Å; R340-E634 IonicContact NH1-OE1 3.16Å; R340-E634 PolarHBondContact NH1-OE1 2.87Å; R340-E634 IonicContact NH1-OE2 3.05Å; R340-E634 IonicContact NH2-OE1 2.67Å; R340-E634 PolarHBondContact NH2-OE1 2.77Å; R340-E634 IonicContact NH2-OE2 2.96Å; R340-E634 PolarHBondContact NH2-OE2 2.89Å; R340-P656 HydrophobicContact CB-CG 4.21Å
341L95Very high93.4Very high14 Ų1454.2 Ų54.27%0.07328%0.277CS..  trans-81.1115.3169.1-66.1172000108.7F345 Y611 G613 H614 H615 V626 P628L341-F345 HydrophobicContact CD2-CE2 4.32Å; L341-Y611 HydrophobicContact CD1-CD1 4.11Å; L341-Y611 HydrophobicContact CD1-CE1 3.68Å; L341-G613 VanDerWaalsContact CD1-O 3.3Å; L341-G613 WeakPolarHBondContact CD1-O 3.39Å; L341-H614 PolarHBondContact N-O 2.71Å; L341-H615 VanDerWaalsContact CD1-O 3.3Å; L341-H615 WeakPolarHBondContact CD1-O 3.47Å; L341-V626 HydrophobicContact CD1-CG1 3.45Å; L341-V626 VanDerWaalsContact CD1-CG1 3.45Å; L341-V626 HydrophobicContact CD2-CG1 3.68Å; L341-V626 HydrophobicContact CG-CG1 4.14Å; L341-P628 HydrophobicContact CB-CB 3.98Å; L341-P628 WeakPolarHBondContact O-CB 3.44Å
342V95.3Very high93.2Very high60 Ų6057.3 Ų57.336%0.36429%0.293SS..  trans-111.5-23.7-172.2-175.60000112.2R340 P656 L658R340-V342 HydrophobicContact CB-CG2 4.36Å; R340-V342 PolarHBondContact O-N 2.83Å; V342-P656 HydrophobicContact CG2-CB 4.2Å; V342-P656 HydrophobicContact CG2-CG 4.39Å; V342-L658 WeakPolarHBondContact O-CA 3.45Å; V342-L658 WeakPolarHBondContact O-CB 3.43Å; V342-L658 PolarHBondContact O-N 3.15Å
343V95.7Very high93.1Very high33 Ų3358.7 Ų58.720%0.230%0.303CS..SBendtrans-136.3153.9-179.6-62.50000110.5F345 E354 L658V343-F345 HydrophobicContact CG2-CD2 4.32Å; V343-F345 HydrophobicContact CG2-CE1 4.28Å; V343-F345 HydrophobicContact CG2-CE2 3.68Å; V343-F345 HydrophobicContact CG2-CZ 3.65Å; V343-F345 VanDerWaalsContact O-CD2 3.27Å; V343-F345 WeakPolarHBondContact O-CD2 3.38Å; V343-F345 WeakPolarHBondContact O-CE2 3.48Å; V343-E354 HydrophobicContact CG2-CB 4.38Å; V343-E354 HydrophobicContact CG2-CG 3.91Å; V343-L658 HydrophobicContact CG1-CD1 4.14Å; V343-L658 HydrophobicContact CG1-CG 4.44Å
344P96.6Very high93Very high0 Ų064.6 Ų64.60%033%0.331CS..  trans-63.8140.3167.8-20.733.7000111.7S355 W357 V360 V626 L627 P628P344-S355 PolarHBondContact O-N 3.01Å; P344-W357 HydrophobicContact CG-CD2 3.86Å; P344-W357 HydrophobicContact CG-CE3 4.5Å; P344-W357 HydrophobicContact CG-CG 3.9Å; P344-W357 HydrophobicContact CG-CZ2 4.45Å; P344-V360 HydrophobicContact CB-CB 4.44Å; P344-V360 HydrophobicContact CB-CG2 3.91Å; P344-V626 WeakPolarHBondContact CA-O 3.37Å; P344-L627 HydrophobicContact CB-CD2 4.1Å; P344-P628 HydrophobicContact CG-CG 4.39Å
345F96Very high93Very high46 Ų4664.5 Ų64.520%0.20233%0.332CS..EExtended strand (participates in β ladder)trans-118.6142.5170-61.4-99.4000111.3L341 V343 L352 S353 E354 V625 V626L341-F345 HydrophobicContact CD2-CE2 4.32Å; V343-F345 HydrophobicContact CG2-CD2 4.32Å; V343-F345 HydrophobicContact CG2-CE1 4.28Å; V343-F345 HydrophobicContact CG2-CE2 3.68Å; V343-F345 HydrophobicContact CG2-CZ 3.65Å; V343-F345 VanDerWaalsContact O-CD2 3.27Å; V343-F345 WeakPolarHBondContact O-CD2 3.38Å; V343-F345 WeakPolarHBondContact O-CE2 3.48Å; F345-L352 HydrophobicContact CB-CB 4.04Å; F345-L352 HydrophobicContact CB-CD2 4.08Å; F345-L352 HydrophobicContact CD1-CB 4.21Å; F345-L352 HydrophobicContact CG-CB 4.39Å; F345-S353 CarbonylContact C-O 3.55Å; F345-S353 VanDerWaalsContact CA-O 3.28Å; F345-S353 WeakPolarHBondContact CA-O 3.47Å; F345-E354 HydrophobicContact CD1-CG 4.09Å; F345-E354 HydrophobicContact CE1-CG 3.58Å; F345-E354 HydrophobicContact CZ-CG 4.22Å; F345-V625 WeakPolarHBondContact O-CA 3.25Å; F345-V626 HydrophobicContact CB-CB 4.22Å; F345-V626 HydrophobicContact CD2-CB 4.46Å; F345-V626 HydrophobicContact CD2-CG1 4.46Å; F345-V626 PolarHBondContact N-O 2.97Å; F345-V626 PolarHBondContact O-N 3.24Å
346L95.2Very high92.9Very high26 Ų2668.1 Ų68.114%0.13635%0.354CS..EExtended strand (participates in β ladder)trans-121.6130.4171.1175.461.6000109.1K348 S353 V360 K363 V625L346-K348 PolarHBondContact O-N 3.22Å; L346-S353 PolarHBondContact N-O 2.77Å; L346-S353 PolarHBondContact O-N 2.72Å; L346-S353 PolarHBondContact O-OG 3.48Å; L346-V360 HydrophobicContact CB-CG2 4.32Å; L346-K363 HydrophobicContact CD1-CG 3.93Å; L346-K363 HydrophobicContact CD2-CG 4.43Å; L346-V625 HydrophobicContact CD1-CG2 3.6Å
347K93.1Very high92.9Very high64 Ų6469 Ų6928%0.27836%0.357SS..EExtended strand (participates in β ladder)trans-68.7121.9177.2-168-179.3175-166.90110.8D350 K351 L352 D624K347-D350 WeakPolarHBondContact CE-OD1 3.39Å; K347-D350 IonicContact NZ-OD1 3.93Å; K347-D350 PolarHBondContact NZ-OD1 2.91Å; K347-K351 CarbonylContact C-O 3.59Å; K347-K351 WeakPolarHBondContact CA-O 3.46Å; K347-L352 HydrophobicContact CB-CD2 4.11Å; K347-D624 WeakPolarHBondContact CB-O 3.33Å; K347-D624 WeakPolarHBondContact CD-OD1 3.38Å; K347-D624 PolarHBondContact N-O 3.12Å; K347-D624 IonicContact NZ-OD1 3.63Å
348K89Confident92.9Very high103 Ų10366 Ų6645%0.44834%0.339SS..EExtended strand (participates in β ladder)trans-132.4126.3175.2-60.4179.5-166.9126.50108L346 D350 K351 S353L346-K348 PolarHBondContact O-N 3.22Å; K348-D350 VanDerWaalsContact C-N 3.33Å; K348-D350 PolarHBondContact O-N 3.24Å; K348-K351 PolarHBondContact N-O 3.46Å; K348-K351 PolarHBondContact O-N 3Å; K348-S353 WeakPolarHBondContact CD-OG 2.9Å; K348-S353 VanDerWaalsContact CE-OG 3.3Å; K348-S353 WeakPolarHBondContact CE-OG 3.41Å; K348-S353 WeakPolarHBondContact CG-OG 3.24Å; K348-S353 PolarHBondContact NZ-OG 3.28Å
349S80.8Confident92.9Very high123 Ų12366 Ų6686%0.8635%0.345SS*.THydrogen-bonded Turntrans48.252.3-179.8-52.50000113.3K351S349-K351 PolarHBondContact O-N 3.39Å; S349-K351 VanDerWaalsContact O-N 3.09Å
350D82.9Confident92.9Very high133 Ų13360.2 Ų60.271%0.71132%0.318SS*.THydrogen-bonded Turntrans55.915.7-175.9-72.5-60.7000117.8K347 K348K347-D350 WeakPolarHBondContact CE-OD1 3.39Å; K347-D350 IonicContact NZ-OD1 3.93Å; K347-D350 PolarHBondContact NZ-OD1 2.91Å; K348-D350 VanDerWaalsContact C-N 3.33Å; K348-D350 PolarHBondContact O-N 3.24Å
351K91.4Very high92.8Very high162 Ų16259 Ų5970%0.70431%0.314SS*.EExtended strand (participates in β ladder)trans-120.7137.5170.7-65.1-177.7179.9-179.90111.3K347 K348 S349 S353K347-K351 CarbonylContact C-O 3.59Å; K347-K351 WeakPolarHBondContact CA-O 3.46Å; K348-K351 PolarHBondContact N-O 3.46Å; K348-K351 PolarHBondContact O-N 3Å; S349-K351 PolarHBondContact O-N 3.39Å; S349-K351 VanDerWaalsContact O-N 3.09Å; K351-S353 PolarHBondContact O-N 2.99Å
352L91.6Very high92.7Very high66 Ų6660.8 Ų60.835%0.34633%0.325SS..EExtended strand (participates in β ladder)trans-66.1126.6167.4-72.8172.8000108.7F345 K347 V626F345-L352 HydrophobicContact CB-CB 4.04Å; F345-L352 HydrophobicContact CB-CD2 4.08Å; F345-L352 HydrophobicContact CD1-CB 4.21Å; F345-L352 HydrophobicContact CG-CB 4.39Å; K347-L352 HydrophobicContact CB-CD2 4.11Å; L352-V626 HydrophobicContact CD1-CG2 3.87Å; L352-V626 HydrophobicContact CD2-CG2 4.14Å
353S93.6Very high92.7Very high30 Ų3061.3 Ų61.321%0.2132%0.323CS..EExtended strand (participates in β ladder)trans-122.8139.9-179.867.20000110F345 L346 K348 K351F345-S353 CarbonylContact C-O 3.55Å; F345-S353 VanDerWaalsContact CA-O 3.28Å; F345-S353 WeakPolarHBondContact CA-O 3.47Å; L346-S353 PolarHBondContact N-O 2.77Å; L346-S353 PolarHBondContact O-N 2.72Å; L346-S353 PolarHBondContact O-OG 3.48Å; K348-S353 WeakPolarHBondContact CD-OG 2.9Å; K348-S353 VanDerWaalsContact CE-OG 3.3Å; K348-S353 WeakPolarHBondContact CE-OG 3.41Å; K348-S353 WeakPolarHBondContact CG-OG 3.24Å; K348-S353 PolarHBondContact NZ-OG 3.28Å; K351-S353 PolarHBondContact O-N 2.99Å
354E95Very high92.5Very high141 Ų14159.8 Ų59.866%0.65931%0.314SS*.EExtended strand (participates in β ladder)trans-58.1142.5177.4-59.9-176.4179.800110.9V343 F345V343-E354 HydrophobicContact CG2-CB 4.38Å; V343-E354 HydrophobicContact CG2-CG 3.91Å; F345-E354 HydrophobicContact CD1-CG 4.09Å; F345-E354 HydrophobicContact CE1-CG 3.58Å; F345-E354 HydrophobicContact CZ-CG 4.22Å
355S93.9Very high92.3Very high21 Ų2160 Ų6015%0.14732%0.316CS..  trans-154160.6-173.2-156.70000111P344P344-S355 PolarHBondContact O-N 3.01Å
356T94.6Very high92.1Very high77 Ų7762.6 Ų62.647%0.47233%0.328SS..  trans-82.8156.3177.580.40000111.8G358 D359 V360T356-G358 PolarHBondContact O-N 2.6Å; T356-G358 PolarHBondContact OG1-N 3.22Å; T356-D359 VanDerWaalsContact CB-OD2 3.28Å; T356-D359 WeakPolarHBondContact CB-OD2 3.27Å; T356-D359 WeakPolarHBondContact CG2-OD2 3.4Å; T356-D359 PolarHBondContact N-OD2 2.98Å; T356-D359 VanDerWaalsContact N-OD2 3.12Å; T356-D359 PolarHBondContact O-N 3.11Å; T356-D359 PolarHBondContact OG1-N 2.81Å; T356-D359 PolarHBondContact OG1-OD2 2.85Å; T356-V360 WeakPolarHBondContact O-CG2 3.26Å; T356-V360 PolarHBondContact O-N 3.44Å; T356-V360 VanDerWaalsContact O-N 3.12Å
357W94.2Very high91.9Very high30 Ų3063.8 Ų63.811%0.11434%0.335CS..Hα-helixtrans-52.8-35.5170.9-86.5108.7000112.8P344 L361 L627 P628 L658 R660 I665P344-W357 HydrophobicContact CG-CD2 3.86Å; P344-W357 HydrophobicContact CG-CE3 4.5Å; P344-W357 HydrophobicContact CG-CG 3.9Å; P344-W357 HydrophobicContact CG-CZ2 4.45Å; W357-L361 HydrophobicContact CE3-CD1 4.25Å; W357-L361 HydrophobicContact CE3-CG 4.26Å; W357-L361 VanDerWaalsContact O-CB 3.3Å; W357-L361 WeakPolarHBondContact O-CB 3.2Å; W357-L361 WeakPolarHBondContact O-CD1 3.43Å; W357-L361 WeakPolarHBondContact O-CG 3.4Å; W357-L361 PolarHBondContact O-N 2.83Å; W357-L627 HydrophobicContact CE3-CD2 4.11Å; W357-L627 HydrophobicContact CH2-CB 4.1Å; W357-L627 HydrophobicContact CH2-CD2 4Å; W357-L627 HydrophobicContact CH2-CG 4.45Å; W357-L627 HydrophobicContact CZ3-CB 4.4Å; W357-L627 HydrophobicContact CZ3-CD1 4.08Å; W357-L627 HydrophobicContact CZ3-CD2 3.6Å; W357-L627 HydrophobicContact CZ3-CG 4.25Å; W357-P628 HydrophobicContact CZ2-CG 3.87Å; W357-L658 PolarHBondContact NE1-O 3.16Å; W357-R660 HydrophobicContact CZ2-CB 4.42Å; W357-R660 HydrophobicContact CZ2-CG 3.93Å; W357-I665 HydrophobicContact CH2-CD1 3.76Å; W357-I665 HydrophobicContact CH2-CG1 3.7Å; W357-I665 HydrophobicContact CH2-CG2 4.13Å; W357-I665 HydrophobicContact CZ3-CG1 4.28Å; W357-I665 HydrophobicContact CZ3-CG2 4.02Å
358G93.2Very high91.7Very high17 Ų1760.8 Ų60.818%0.17532%0.322CS..Hα-helixtrans-65.9-51.3178.200000112.5T356 V360 L361 V362T356-G358 PolarHBondContact O-N 2.6Å; T356-G358 PolarHBondContact OG1-N 3.22Å; G358-V360 VanDerWaalsContact C-N 3.3Å; G358-V360 PolarHBondContact O-N 3.34Å; G358-L361 PolarHBondContact O-N 2.94Å; G358-V362 WeakPolarHBondContact O-CB 3.41Å; G358-V362 VanDerWaalsContact O-CG2 3.31Å; G358-V362 WeakPolarHBondContact O-CG2 3.35Å; G358-V362 PolarHBondContact O-N 3.2Å
359D93.5Very high91.7Very high87 Ų8758.4 Ų58.447%0.46531%0.313SS..Hα-helixtrans-60.9-42.1-179-47.4-53.2000111.3T356 K363T356-D359 VanDerWaalsContact CB-OD2 3.28Å; T356-D359 WeakPolarHBondContact CB-OD2 3.27Å; T356-D359 WeakPolarHBondContact CG2-OD2 3.4Å; T356-D359 PolarHBondContact N-OD2 2.98Å; T356-D359 VanDerWaalsContact N-OD2 3.12Å; T356-D359 PolarHBondContact O-N 3.11Å; T356-D359 PolarHBondContact OG1-N 2.81Å; T356-D359 PolarHBondContact OG1-OD2 2.85Å; D359-K363 WeakPolarHBondContact O-CB 3.37Å; D359-K363 PolarHBondContact O-N 3.41Å
360V93.9Very high91.9Very high0 Ų057.2 Ų57.20%030%0.303CS..Hα-helixtrans-73.5-41.5-175.7-179.50000111.7P344 L346 T356 G358 K363 I364 V625 L627P344-V360 HydrophobicContact CB-CB 4.44Å; P344-V360 HydrophobicContact CB-CG2 3.91Å; L346-V360 HydrophobicContact CB-CG2 4.32Å; T356-V360 WeakPolarHBondContact O-CG2 3.26Å; T356-V360 PolarHBondContact O-N 3.44Å; T356-V360 VanDerWaalsContact O-N 3.12Å; G358-V360 VanDerWaalsContact C-N 3.3Å; G358-V360 PolarHBondContact O-N 3.34Å; V360-K363 PolarHBondContact O-N 3.38Å; V360-K363 VanDerWaalsContact O-N 3.17Å; V360-I364 HydrophobicContact CG1-CD1 4.2Å; V360-I364 WeakPolarHBondContact O-CG1 3.47Å; V360-I364 PolarHBondContact O-N 3.32Å; V360-V625 HydrophobicContact CG1-CB 4.3Å; V360-V625 HydrophobicContact CG1-CG1 3.26Å; V360-V625 HydrophobicContact CG1-CG2 4Å; V360-L627 HydrophobicContact CB-CD2 4.35Å; V360-L627 HydrophobicContact CG1-CD2 3.53Å; V360-L627 HydrophobicContact CG1-CG 4.46Å
361L94.1Very high91.8Very high5 Ų551.9 Ų51.93%0.02627%0.274CS..Hα-helixtrans-64.4-40.2174.5-71.5171.1000111.6W11 W357 G358 K363 I364 A365 A668 I669 V672W11-L361 HydrophobicContact CH2-CD1 3.85Å; W11-L361 HydrophobicContact CZ3-CD1 4.19Å; W357-L361 HydrophobicContact CE3-CD1 4.25Å; W357-L361 HydrophobicContact CE3-CG 4.26Å; W357-L361 VanDerWaalsContact O-CB 3.3Å; W357-L361 WeakPolarHBondContact O-CB 3.2Å; W357-L361 WeakPolarHBondContact O-CD1 3.43Å; W357-L361 WeakPolarHBondContact O-CG 3.4Å; W357-L361 PolarHBondContact O-N 2.83Å; G358-L361 PolarHBondContact O-N 2.94Å; L361-K363 VanDerWaalsContact C-N 3.33Å; L361-K363 PolarHBondContact O-N 3.39Å; L361-I364 PolarHBondContact O-N 3.31Å; L361-A365 WeakPolarHBondContact O-CB 3.47Å; L361-A365 PolarHBondContact O-N 2.81Å; L361-A668 HydrophobicContact CD1-CB 4.16Å; L361-A668 HydrophobicContact CD2-CB 4.35Å; L361-I669 HydrophobicContact CD2-CB 4.48Å; L361-I669 HydrophobicContact CD2-CG1 3.49Å; L361-I669 VanDerWaalsContact CD2-CG1 3.49Å; L361-V672 HydrophobicContact CB-CG2 4.24Å
362V93.7Very high91.1Very high52 Ų5245.9 Ų45.932%0.31525%0.25SC..Hα-helixtrans-60.7-42.8171.4170.30000110.6I8 G358 I364 A365 E366I8-V362 HydrophobicContact CD1-CG2 3.75Å; G358-V362 WeakPolarHBondContact O-CB 3.41Å; G358-V362 VanDerWaalsContact O-CG2 3.31Å; G358-V362 WeakPolarHBondContact O-CG2 3.35Å; G358-V362 PolarHBondContact O-N 3.2Å; V362-I364 PolarHBondContact O-N 3.22Å; V362-A365 PolarHBondContact O-N 3.33Å; V362-E366 HydrophobicContact CG1-CG 4.48Å; V362-E366 WeakPolarHBondContact O-CG 3.43Å; V362-E366 PolarHBondContact O-N 2.93Å
363K93.8Very high89.8Confident72 Ų7244.9 Ų44.931%0.31326%0.255SS..Hα-helixtrans-68.9-31.1179.8-166.848.4169.4170.50113.7L346 D359 V360 L361 E366 N367L346-K363 HydrophobicContact CD1-CG 3.93Å; L346-K363 HydrophobicContact CD2-CG 4.43Å; D359-K363 WeakPolarHBondContact O-CB 3.37Å; D359-K363 PolarHBondContact O-N 3.41Å; V360-K363 PolarHBondContact O-N 3.38Å; V360-K363 VanDerWaalsContact O-N 3.17Å; L361-K363 VanDerWaalsContact C-N 3.33Å; L361-K363 PolarHBondContact O-N 3.39Å; K363-E366 HydrophobicContact CD-CB 4.36Å; K363-E366 WeakPolarHBondContact CD-OE2 3.3Å; K363-E366 WeakPolarHBondContact CE-OE2 3.31Å; K363-E366 IonicContact NZ-OE2 3.28Å; K363-E366 PolarHBondContact NZ-OE2 3.2Å; K363-N367 PolarHBondContact O-ND2 2.99Å
364I93.2Very high87.7Confident1 Ų149.4 Ų49.41%0.00529%0.287CS..Hα-helixtrans-66.2-45.9169.6-68.6164.3000109.9V360 L361 V362 E366 N367 L368 F608 V610 V625 L627 I669V360-I364 HydrophobicContact CG1-CD1 4.2Å; V360-I364 WeakPolarHBondContact O-CG1 3.47Å; V360-I364 PolarHBondContact O-N 3.32Å; L361-I364 PolarHBondContact O-N 3.31Å; V362-I364 PolarHBondContact O-N 3.22Å; I364-E366 PolarHBondContact O-N 3.43Å; I364-N367 PolarHBondContact O-N 3.43Å; I364-N367 VanDerWaalsContact O-N 3.13Å; I364-L368 HydrophobicContact CG2-CD1 3.6Å; I364-L368 HydrophobicContact CG2-CG 4.4Å; I364-L368 PolarHBondContact O-N 2.97Å; I364-F608 HydrophobicContact CG1-CE1 4.21Å; I364-V610 HydrophobicContact CD1-CG1 3.98Å; I364-V610 HydrophobicContact CD1-CG2 4.45Å; I364-V610 HydrophobicContact CG1-CG1 4.49Å; I364-V610 HydrophobicContact CG1-CG2 4.08Å; I364-V625 HydrophobicContact CD1-CG1 4.1Å; I364-V625 HydrophobicContact CG1-CG1 4.4Å; I364-L627 HydrophobicContact CD1-CD1 3.8Å; I364-I669 HydrophobicContact CD1-CD1 4.14Å; I364-I669 HydrophobicContact CD1-CG1 4.33Å; I364-I669 HydrophobicContact CG2-CG1 4.4Å; I364-I669 HydrophobicContact CG2-CG2 3.86Å
365A92.1Very high85.3Confident5 Ų546.5 Ų46.54%0.04128%0.282CS..Hα-helixtrans-65.1-36.1179.600000113.6L361 V362 N367 L368 L369 V672 V673L361-A365 WeakPolarHBondContact O-CB 3.47Å; L361-A365 PolarHBondContact O-N 2.81Å; V362-A365 PolarHBondContact O-N 3.33Å; A365-N367 PolarHBondContact O-N 2.91Å; A365-L368 PolarHBondContact O-N 3.4Å; A365-L369 WeakPolarHBondContact O-CB 3.44Å; A365-L369 VanDerWaalsContact O-CG 3.25Å; A365-L369 WeakPolarHBondContact O-CG 3.34Å; A365-L369 PolarHBondContact O-N 3.41Å; A365-V672 HydrophobicContact CB-CG1 3.84Å; A365-V673 HydrophobicContact CB-CG2 3.69Å
366E92.2Very high83.2Confident100 Ų10055.4 Ų55.447%0.46732%0.321SS..Hα-helixtrans-56.5-31.3172.1-79.7-179.5-173.100113.2V362 K363 I364 P370V362-E366 HydrophobicContact CG1-CG 4.48Å; V362-E366 WeakPolarHBondContact O-CG 3.43Å; V362-E366 PolarHBondContact O-N 2.93Å; K363-E366 HydrophobicContact CD-CB 4.36Å; K363-E366 WeakPolarHBondContact CD-OE2 3.3Å; K363-E366 WeakPolarHBondContact CE-OE2 3.31Å; K363-E366 IonicContact NZ-OE2 3.28Å; K363-E366 PolarHBondContact NZ-OE2 3.2Å; I364-E366 PolarHBondContact O-N 3.43Å; E366-P370 WeakPolarHBondContact O-CD 3.38Å; E366-P370 WeakPolarHBondContact O-CG 3.28Å
367N90.8Very high81.1Confident51 Ų5160.5 Ų60.527%0.27334%0.34SS..Hα-helixtrans-89.4-31.8178.4-69.7-72.9000112.6K363 I364 A365 I587 F608K363-N367 PolarHBondContact O-ND2 2.99Å; I364-N367 PolarHBondContact O-N 3.43Å; I364-N367 VanDerWaalsContact O-N 3.13Å; A365-N367 PolarHBondContact O-N 2.91Å; N367-I587 HydrophobicContact CB-CD1 3.84Å; N367-F608 HydrophobicContact CB-CD1 3.99Å; N367-F608 HydrophobicContact CB-CE1 4.3Å; N367-F608 HydrophobicContact CB-CG 4.39Å
368L89Confident79.1Confident0 Ų061.4 Ų61.40%035%0.351CS..Hα-helixtrans-76.2-41.1178.2-74.6165.3000113.1I364 A365 I371 V385 F408 I587 F589 I669 V673I364-L368 HydrophobicContact CG2-CD1 3.6Å; I364-L368 HydrophobicContact CG2-CG 4.4Å; I364-L368 PolarHBondContact O-N 2.97Å; A365-L368 PolarHBondContact O-N 3.4Å; L368-I371 WeakPolarHBondContact O-CB 3.36Å; L368-I371 PolarHBondContact O-N 3.32Å; L368-V385 HydrophobicContact CD2-CG1 4.47Å; L368-V385 HydrophobicContact CD2-CG2 4.09Å; L368-F408 HydrophobicContact CB-CE1 4.03Å; L368-F408 HydrophobicContact CB-CZ 4.07Å; L368-F408 HydrophobicContact CD1-CZ 4.12Å; L368-F408 HydrophobicContact CD2-CD1 4.38Å; L368-F408 HydrophobicContact CD2-CD2 4.46Å; L368-F408 HydrophobicContact CD2-CE1 3.9Å; L368-F408 HydrophobicContact CD2-CE2 4Å; L368-F408 HydrophobicContact CD2-CZ 3.72Å; L368-F408 HydrophobicContact CG-CE1 4.47Å; L368-F408 HydrophobicContact CG-CZ 4.19Å; L368-I587 HydrophobicContact CB-CD1 4.45Å; L368-I587 HydrophobicContact CD2-CD1 3.55Å; L368-I587 HydrophobicContact CG-CD1 3.75Å; L368-F589 HydrophobicContact CD1-CZ 4.36Å; L368-I669 HydrophobicContact CD1-CG2 3.83Å; L368-V673 HydrophobicContact CB-CG1 4.25Å; L368-V673 HydrophobicContact CB-CG2 4.1Å; L368-V673 HydrophobicContact CD1-CG2 3.77Å
369L87.6Confident77.6Confident53 Ų5367.2 Ų67.228%0.27738%0.376SS..G310 helixtrans-55.8-41.6-176.2-75166.3000113.7A365 I371 L372 V673A365-L369 WeakPolarHBondContact O-CB 3.44Å; A365-L369 VanDerWaalsContact O-CG 3.25Å; A365-L369 WeakPolarHBondContact O-CG 3.34Å; A365-L369 PolarHBondContact O-N 3.41Å; L369-I371 PolarHBondContact O-N 3.36Å; L369-L372 HydrophobicContact CD2-CD1 4.28Å; L369-L372 PolarHBondContact O-N 3.3Å; L369-V673 HydrophobicContact CD2-CG1 4.07Å; L369-V673 HydrophobicContact CG-CG1 4.39Å
370P85.1Confident76.3Confident99 Ų9964.5 Ų64.564%0.64336%0.363SS*.G310 helixtrans-62.1-19.9175.2-2635.8000115.8E366E366-P370 WeakPolarHBondContact O-CD 3.38Å; E366-P370 WeakPolarHBondContact O-CG 3.28Å
371I82.2Confident75.2Confident20 Ų2073.8 Ų73.810%0.10340%0.398CS..G310 helixtrans-77-28.5-179.1-60178.9000111.3L368 L369 G373 Q384 V385 K586 I587L368-I371 WeakPolarHBondContact O-CB 3.36Å; L368-I371 PolarHBondContact O-N 3.32Å; L369-I371 PolarHBondContact O-N 3.36Å; I371-G373 VanDerWaalsContact C-N 3.26Å; I371-G373 PolarHBondContact O-N 3.11Å; I371-Q384 HydrophobicContact CD1-CB 4.32Å; I371-Q384 HydrophobicContact CG2-CB 3.7Å; I371-Q384 HydrophobicContact CG2-CG 4.25Å; I371-V385 HydrophobicContact CD1-CG2 3.72Å; I371-V385 HydrophobicContact CG2-CG2 4.37Å; I371-K586 HydrophobicContact CD1-CB 4.43Å; I371-I587 HydrophobicContact CD1-CD1 3.67Å; I371-I587 HydrophobicContact CD1-CG1 4.02Å
372L75.8Confident74.5Confident37 Ų3776.1 Ų76.119%0.19442%0.418CS..SBendtrans-72.2-17.1-179.1-63.5168.2000113.6L369 P380 F408 V673 I675L369-L372 HydrophobicContact CD2-CD1 4.28Å; L369-L372 PolarHBondContact O-N 3.3Å; L372-P380 HydrophobicContact CD2-CG 4.32Å; L372-F408 HydrophobicContact CD1-CE1 4.12Å; L372-F408 HydrophobicContact CD2-CD1 3.55Å; L372-F408 HydrophobicContact CD2-CE1 3.66Å; L372-F408 HydrophobicContact CG-CD1 4.09Å; L372-F408 HydrophobicContact CG-CE1 3.87Å; L372-V673 HydrophobicContact CD1-CG1 4.02Å; L372-I675 HydrophobicContact CD1-CD1 3.63Å; L372-I675 HydrophobicContact CD2-CD1 3.52Å; L372-I675 HydrophobicContact CG-CD1 4.22Å
373G65.2Low74Confident44 Ų4475.8 Ų75.845%0.45442%0.415SS..  trans79.9-180-171.700000113I371I371-G373 VanDerWaalsContact C-N 3.26Å; I371-G373 PolarHBondContact O-N 3.11Å
374S49.2Very low73.7Confident126 Ų12674.3 Ų74.388%0.88141%0.409SS*.SBendtrans-133.546.3-17367.70000112.5
375S43.7Very low73.7Confident79 Ų7974.3 Ų74.355%0.55241%0.409SS*.SBendtrans-163.1154.1168.650.60000110.6E377 S378S375-E377 PolarHBondContact O-N 3.26Å; S375-E377 VanDerWaalsContact O-N 3.1Å; S375-S378 PolarHBondContact O-N 3.3Å; S375-S378 PolarHBondContact O-OG 2.84Å
376E50.4Low73.8Confident208 Ų20874 Ų7497%0.97241%0.407SS*.THydrogen-bonded Turntrans-69.6-5.4-174.4-61.6176.1137.300114.1
377E49.8Very low73.9Confident185 Ų18569.3 Ų69.386%0.86439%0.385SS*.THydrogen-bonded Turntrans-115.4-6.3-174.1-59.6-178.2133.200113.8S375 I379S375-E377 PolarHBondContact O-N 3.26Å; S375-E377 VanDerWaalsContact O-N 3.1Å; E377-I379 PolarHBondContact O-N 3.28Å
378S53.1Low74.1Confident49 Ų4967 Ų6734%0.34337%0.373SS..  trans-91.2105.5-177.965.20000112.2S375S375-S378 PolarHBondContact O-N 3.3Å; S375-S378 PolarHBondContact O-OG 2.84Å
379I62.4Low74.4Confident139 Ų13967 Ų6771%0.71337%0.373SS*.PPolyproline II helixtrans-56.5128.9170.7-57175.7000109E377 R381 N409E377-I379 PolarHBondContact O-N 3.28Å; I379-R381 PolarHBondContact O-N 3.2Å; I379-N409 WeakPolarHBondContact CG2-ND2 3.41Å
380P64.9Low74.7Confident30 Ų3064.5 Ų64.520%0.19536%0.36CS..PPolyproline II helixtrans-56.2139.8177.5-25.334.1000111.5L372 A382 N409L372-P380 HydrophobicContact CD2-CG 4.32Å; P380-A382 PolarHBondContact O-N 2.82Å; P380-N409 HydrophobicContact CB-CB 4.12Å; P380-N409 HydrophobicContact CG-CB 4.5Å; P380-N409 PolarHBondContact O-ND2 2.96Å
381R71.1Confident75.1Confident194 Ų19460.4 Ų60.473%0.73233%0.333SS*.PPolyproline II helixtrans-58.8125.1177.3-72.2-174.1-179-171.70.9109.1I379 Q384I379-R381 PolarHBondContact O-N 3.2Å; R381-Q384 HydrophobicContact CB-CG 3.76Å; R381-Q384 VanDerWaalsContact O-CG 3.3Å; R381-Q384 WeakPolarHBondContact O-CG 3.34Å
382A80.1Confident75.8Confident54 Ų5459.9 Ų59.945%0.44633%0.33SS..THydrogen-bonded Turntrans-59.8154.6-177.500000112.4P380 Q384 N409P380-A382 PolarHBondContact O-N 2.82Å; A382-Q384 PolarHBondContact O-N 3.49Å; A382-Q384 PolarHBondContact O-NE2 3.47Å; A382-N409 VanDerWaalsContact CA-O 3.26Å; A382-N409 WeakPolarHBondContact CA-O 3.43Å
383N83.1Confident76.7Confident46 Ų4658.3 Ų58.325%0.24632%0.322CS..THydrogen-bonded Turntrans59.918.5168.5-65.7-1.7000115.9L412 N583N383-L412 HydrophobicContact CB-CD1 3.74Å; N383-L412 HydrophobicContact CB-CG 4Å; N383-N583 HydrophobicContact CB-CB 4.38Å; N383-N583 WeakPolarHBondContact CB-OD1 3.49Å; N383-N583 PolarHBondContact ND2-OD1 2.93Å
384Q87.9Confident78.2Confident41 Ų4156.3 Ų56.319%0.19230%0.301CS..SBendtrans-78.8-18.7177.6-63.3-59.5-86.700114I371 R381 A382 P585 K586 I587I371-Q384 HydrophobicContact CD1-CB 4.32Å; I371-Q384 HydrophobicContact CG2-CB 3.7Å; I371-Q384 HydrophobicContact CG2-CG 4.25Å; R381-Q384 HydrophobicContact CB-CG 3.76Å; R381-Q384 VanDerWaalsContact O-CG 3.3Å; R381-Q384 WeakPolarHBondContact O-CG 3.34Å; A382-Q384 PolarHBondContact O-N 3.49Å; A382-Q384 PolarHBondContact O-NE2 3.47Å; Q384-P585 CarbonylContact O-C 3.59Å; Q384-P585 WeakPolarHBondContact O-CB 3.49Å; Q384-K586 PolarHBondContact O-N 3.1Å; Q384-I587 PolarHBondContact O-N 2.74Å; Q384-I587 VanDerWaalsContact O-N 3.15Å
385V92.2Very high80.5Confident0 Ų050.3 Ų50.30%026%0.259CS..EExtended strand (participates in β ladder)trans-121.5134.9178.7-173.30000108.7L368 I371 I405 F408 S410 I587 F589L368-V385 HydrophobicContact CD2-CG1 4.47Å; L368-V385 HydrophobicContact CD2-CG2 4.09Å; I371-V385 HydrophobicContact CD1-CG2 3.72Å; I371-V385 HydrophobicContact CG2-CG2 4.37Å; V385-I405 HydrophobicContact CG1-CG1 4.18Å; V385-F408 HydrophobicContact CB-CB 4.35Å; V385-F408 HydrophobicContact CG2-CB 3.95Å; V385-F408 HydrophobicContact CG2-CD1 4.45Å; V385-F408 HydrophobicContact CG2-CG 4.06Å; V385-S410 WeakPolarHBondContact O-CB 3.49Å; V385-S410 PolarHBondContact O-OG 2.78Å; V385-I587 WeakPolarHBondContact CA-O 3.11Å; V385-I587 HydrophobicContact CG1-CB 4.33Å; V385-I587 HydrophobicContact CG1-CG2 4.32Å; V385-I587 HydrophobicContact CG2-CB 4.45Å; V385-F589 HydrophobicContact CG1-CD2 4.03Å; V385-F589 HydrophobicContact CG1-CE2 3.76Å
386A94.1Very high83Confident0 Ų046.5 Ų46.50%023%0.233CC..EExtended strand (participates in β ladder)trans-135.6163.6177.200000112.5L412 I580 P585 I587 L588 F589A386-L412 CarbonylContact C-O 3.57Å; A386-L412 WeakPolarHBondContact CA-O 3.43Å; A386-L412 HydrophobicContact CB-CB 3.6Å; A386-L412 HydrophobicContact CB-CD1 4.09Å; A386-L412 WeakPolarHBondContact CB-O 3.18Å; A386-I580 HydrophobicContact CB-CD1 4.16Å; A386-I580 HydrophobicContact CB-CG1 4.16Å; A386-P585 HydrophobicContact CB-CB 3.91Å; A386-P585 HydrophobicContact CB-CG 3.65Å; A386-I587 PolarHBondContact N-O 2.87Å; A386-L588 HydrophobicContact CB-CD1 4Å; A386-F589 PolarHBondContact O-N 2.88Å
387G94.8Very high85.3Confident0 Ų036.6 Ų36.60%019%0.187CC..EExtended strand (participates in β ladder)trans-134.8129.1176.100000111.4I405 L412 C414 F589G387-I405 VanDerWaalsContact N-CD1 3.33Å; G387-L412 PolarHBondContact N-O 2.74Å; G387-C414 PolarHBondContact O-N 3.09Å; G387-F589 CarbonylContact C-O 3.49Å; G387-F589 WeakPolarHBondContact CA-O 3.29Å
388L95Very high87.5Confident4 Ų427.8 Ų27.82%0.02115%0.145CC..EExtended strand (participates in β ladder)trans-109.7131.8170.2-17667.3000109.7C414 T415 E416 I577 L588 F589 L590 L591 A593 I598L388-C414 CarbonylContact C-O 3.52Å; L388-C414 WeakPolarHBondContact CA-O 3.48Å; L388-C414 HydrophobicContact CD1-CB 4.11Å; L388-T415 WeakPolarHBondContact CD1-O 3.3Å; L388-E416 HydrophobicContact CD1-CG 4.33Å; L388-E416 HydrophobicContact CD2-CG 4.17Å; L388-E416 HydrophobicContact CG-CG 4.1Å; L388-I577 HydrophobicContact CD1-CD1 4.34Å; L388-I577 HydrophobicContact CD1-CG1 4.24Å; L388-L588 HydrophobicContact CB-CD1 4.47Å; L388-F589 PolarHBondContact N-O 2.86Å; L388-L590 HydrophobicContact CB-CD2 3.87Å; L388-L590 HydrophobicContact CD2-CD2 4.12Å; L388-L591 PolarHBondContact O-N 2.89Å; L388-A593 HydrophobicContact CB-CB 4.46Å; L388-A593 HydrophobicContact CD2-CB 3.93Å; L388-A593 HydrophobicContact CG-CB 3.95Å; L388-I598 HydrophobicContact CD2-CD1 3.95Å; L388-I598 HydrophobicContact CD2-CG1 4.23Å
389V95.3Very high89.6Confident0 Ų025.6 Ų25.60%013%0.13CC..EExtended strand (participates in β ladder)trans-113.6122.8-173.6175.30000111.6A393 M398 L401 C414 T415 E416 Y573 L591V389-A393 HydrophobicContact CG1-CB 3.37Å; V389-M398 HydrophobicContact CG1-CG 4Å; V389-M398 HydrophobicContact CG1-SD 3.75Å; V389-M398 HydrophobicContact CG2-CG 4.38Å; V389-L401 HydrophobicContact CG2-CD2 3.71Å; V389-C414 PolarHBondContact N-O 2.68Å; V389-T415 HydrophobicContact CB-CG2 4.47Å; V389-T415 CarbonylContact O-C 3.4Å; V389-T415 WeakPolarHBondContact O-CA 3.5Å; V389-E416 PolarHBondContact O-N 2.81Å; V389-Y573 HydrophobicContact CB-CE1 4.39Å; V389-Y573 HydrophobicContact CG2-CD1 4.13Å; V389-Y573 HydrophobicContact CG2-CE1 3.41Å; V389-Y573 VanDerWaalsContact CG2-CE1 3.41Å; V389-L591 HydrophobicContact CG2-CB 4.39Å; V389-L591 HydrophobicContact CG2-CD2 4.38Å
390G94.3Very high91.2Very high0 Ų019 Ų190%010%0.096CC..  trans-84.1-178.4176.600000114.6F392 S564 L591G390-F392 VanDerWaalsContact C-N 3.3Å; G390-F392 PolarHBondContact O-N 3.5Å; G390-S564 WeakPolarHBondContact O-CB 3.48Å; G390-S564 PolarHBondContact O-OG 3.44Å; G390-L591 PolarHBondContact N-O 3.05Å
391P93.6Very high92.7Very high13 Ų1317.5 Ų17.58%0.0849%0.086CC..THydrogen-bonded Turntrans-68.3-20.4-166.626.6-36.4000115.4E416 N562 A563 S564P391-E416 WeakPolarHBondContact CD-OE2 3.42Å; P391-N562 HydrophobicContact CB-CB 4.16Å; P391-A563 PolarHBondContact O-N 3.18Å; P391-S564 WeakPolarHBondContact CA-OG 3.45Å; P391-S564 WeakPolarHBondContact O-CB 3.44Å; P391-S564 PolarHBondContact O-N 2.75Å; P391-S564 PolarHBondContact O-OG 2.95Å
392F95.2Very high93.9Very high8 Ų810.1 Ų10.14%0.0356%0.06CC..THydrogen-bonded Turntrans-105.36.6-172.3-59.4-51.9000114.9V292 M293 G390 H614 Y639 D747 I749V292-F392 HydrophobicContact CB-CD1 4.04Å; V292-F392 HydrophobicContact CB-CE1 4.46Å; V292-F392 HydrophobicContact CG2-CD1 3.52Å; V292-F392 HydrophobicContact CG2-CE1 3.82Å; V292-F392 VanDerWaalsContact O-CE1 3.29Å; V292-F392 WeakPolarHBondContact O-CE1 3.28Å; M293-F392 HydrophobicContact CE-CZ 4.48Å; M293-F392 HydrophobicContact SD-CE1 4.04Å; M293-F392 HydrophobicContact SD-CZ 3.97Å; G390-F392 VanDerWaalsContact C-N 3.3Å; G390-F392 PolarHBondContact O-N 3.5Å; F392-H614 AromaticContact CD2-CE1 3.86Å; F392-H614 AromaticContact CD2-NE2 3.84Å; F392-Y639 WeakPolarHBondContact O-CE1 3.23Å; F392-Y639 PolarHBondContact O-OH 3.44Å; F392-D747 HydrophobicContact CE2-CB 3.79Å; F392-D747 HydrophobicContact CZ-CB 3.62Å; F392-D747 WeakPolarHBondContact CZ-OD1 3.33Å; F392-I749 HydrophobicContact CD1-CD1 4.48Å; F392-I749 HydrophobicContact CD2-CD1 4.08Å; F392-I749 HydrophobicContact CD2-CG1 4.32Å; F392-I749 HydrophobicContact CE1-CD1 4.06Å; F392-I749 HydrophobicContact CE2-CB 4.42Å; F392-I749 HydrophobicContact CE2-CD1 3.63Å; F392-I749 HydrophobicContact CE2-CG1 3.62Å; F392-I749 HydrophobicContact CG-CD1 4.47Å; F392-I749 HydrophobicContact CZ-CB 4.38Å; F392-I749 HydrophobicContact CZ-CD1 3.6Å; F392-I749 HydrophobicContact CZ-CG1 3.89Å
393A95.6Very high94.7Very high5 Ų58.2 Ų8.24%0.0414%0.042CC..  trans-70.7135.117900000112.4V389 M398 S564 L591 Y639V389-A393 HydrophobicContact CG1-CB 3.37Å; A393-M398 HydrophobicContact CB-CG 3.93Å; A393-M398 HydrophobicContact CB-SD 4.23Å; A393-S564 WeakPolarHBondContact O-CB 3.36Å; A393-L591 HydrophobicContact CB-CD2 3.82Å; A393-L591 HydrophobicContact CB-CG 4.03Å; A393-Y639 WeakPolarHBondContact O-CE1 3.41Å
394D96.9Very high95.2Very high1 Ų16 Ų61%0.0053%0.03CC..  trans-87.5158.6175.451.9-73.1000112.8E396 S397 M398 K635 A637 Y639D394-E396 VanDerWaalsContact C-N 3.34Å; D394-E396 PolarHBondContact O-N 3.12Å; D394-S397 PolarHBondContact O-N 3.39Å; D394-S397 WeakPolarHBondContact OD1-CB 3.47Å; D394-S397 PolarHBondContact OD1-OG 3.26Å; D394-S397 VanDerWaalsContact OD1-OG 3.05Å; D394-S397 WeakPolarHBondContact OD2-CB 3.3Å; D394-S397 PolarHBondContact OD2-N 2.9Å; D394-S397 PolarHBondContact OD2-OG 3.07Å; D394-M398 WeakPolarHBondContact O-CB 3.3Å; D394-M398 WeakPolarHBondContact O-CG 3.35Å; D394-M398 PolarHBondContact O-N 3.12Å; D394-K635 WeakPolarHBondContact OD1-CE 3.41Å; D394-K635 IonicContact OD1-NZ 2.79Å; D394-K635 PolarHBondContact OD1-NZ 3.27Å; D394-A637 HydrophobicContact CB-CB 3.62Å; D394-Y639 HydrophobicContact CB-CE1 4.35Å; D394-Y639 HydrophobicContact CB-CE2 4.12Å
395A96.9Very high95.5Very high0 Ų04.1 Ų4.10%02%0.021CC..Hα-helixtrans-61.7-37-178.700000113M399 A567 L571 I638 I689 L696A395-M399 VanDerWaalsContact O-CB 3.25Å; A395-M399 WeakPolarHBondContact O-CB 3.27Å; A395-M399 PolarHBondContact O-N 2.59Å; A395-A567 HydrophobicContact CB-CB 4.36Å; A395-L571 HydrophobicContact CB-CD1 4.24Å; A395-I638 HydrophobicContact CB-CB 4.07Å; A395-I638 HydrophobicContact CB-CG2 4.15Å; A395-I638 PolarHBondContact N-O 3.21Å; A395-I689 HydrophobicContact CB-CD1 4.07Å; A395-L696 HydrophobicContact CB-CD1 4.07Å
396E97.3Very high95.5Very high0 Ų07 Ų70%04%0.037CC..Hα-helixtrans-61.6-48.4174.7-67.297.5142.400112D394 M399 A400 I638 W663 L682 I685 R686 I689D394-E396 VanDerWaalsContact C-N 3.34Å; D394-E396 PolarHBondContact O-N 3.12Å; E396-M399 PolarHBondContact O-N 2.87Å; E396-A400 WeakPolarHBondContact O-CB 3.46Å; E396-A400 PolarHBondContact O-N 2.64Å; E396-I638 WeakPolarHBondContact OE2-CB 3.43Å; E396-I638 PolarHBondContact OE2-N 3.09Å; E396-W663 HydrophobicContact CB-CB 4.34Å; E396-W663 HydrophobicContact CB-CG 4.39Å; E396-L682 HydrophobicContact CG-CD1 3.93Å; E396-I685 HydrophobicContact CB-CD1 4.23Å; E396-I685 HydrophobicContact CB-CG2 4.26Å; E396-I685 HydrophobicContact CG-CG2 3.95Å; E396-I685 WeakPolarHBondContact O-CD1 3.3Å; E396-R686 HydrophobicContact CG-CG 4.29Å; E396-R686 IonicContact OE1-CZ 3.06Å; E396-R686 IonicContact OE1-NE 3.23Å; E396-R686 PolarHBondContact OE1-NE 3.03Å; E396-R686 IonicContact OE1-NH2 3.99Å; E396-R686 PolarHBondContact OE1-NH2 3.41Å; E396-I689 HydrophobicContact CG-CD1 4Å
397S96.9Very high95.4Very high0 Ų013.6 Ų13.60%06%0.062CC..Hα-helixtrans-71.3-31.8-178.8-55.90000112.7D394 L401 D662 W663D394-S397 PolarHBondContact O-N 3.39Å; D394-S397 WeakPolarHBondContact OD1-CB 3.47Å; D394-S397 PolarHBondContact OD1-OG 3.26Å; D394-S397 VanDerWaalsContact OD1-OG 3.05Å; D394-S397 WeakPolarHBondContact OD2-CB 3.3Å; D394-S397 PolarHBondContact OD2-N 2.9Å; D394-S397 PolarHBondContact OD2-OG 3.07Å; S397-L401 WeakPolarHBondContact O-CB 3.38Å; S397-L401 PolarHBondContact O-N 2.69Å; S397-D662 WeakPolarHBondContact OG-CB 3.44Å; S397-W663 PolarHBondContact OG-N 2.97Å
398M96.9Very high95.1Very high0 Ų013.7 Ų13.70%06%0.062CC..Hα-helixtrans-68.5-41.2169.6-72.5-171.1-74.800112.6V389 A393 D394 A400 L401 K402 A567 A568 L571 Y573 L591V389-M398 HydrophobicContact CG1-CG 4Å; V389-M398 HydrophobicContact CG1-SD 3.75Å; V389-M398 HydrophobicContact CG2-CG 4.38Å; A393-M398 HydrophobicContact CB-CG 3.93Å; A393-M398 HydrophobicContact CB-SD 4.23Å; D394-M398 WeakPolarHBondContact O-CB 3.3Å; D394-M398 WeakPolarHBondContact O-CG 3.35Å; D394-M398 PolarHBondContact O-N 3.12Å; M398-A400 VanDerWaalsContact C-N 3.3Å; M398-A400 PolarHBondContact O-N 2.59Å; M398-L401 PolarHBondContact O-N 3.49Å; M398-K402 WeakPolarHBondContact O-CB 3.27Å; M398-K402 PolarHBondContact O-N 3.46Å; M398-A567 HydrophobicContact CE-CB 3.65Å; M398-A568 HydrophobicContact CE-CB 4.37Å; M398-A568 HydrophobicContact SD-CB 3.59Å; M398-A568 VanDerWaalsContact SD-CB 3.59Å; M398-L571 HydrophobicContact CB-CD1 3.7Å; M398-L571 HydrophobicContact CE-CD1 4.49Å; M398-Y573 HydrophobicContact CB-CE2 3.97Å; M398-Y573 PolarHBondContact O-OH 3.16Å; M398-L591 HydrophobicContact CG-CD2 4.43Å
399M97.1Very high94.8Very high2 Ų217 Ų171%0.018%0.08CC..Hα-helixtrans-62.8-39.5174.6-171.371.4-105.500110.9A395 E396 K402 D403 L571 R688 I689 V692A395-M399 VanDerWaalsContact O-CB 3.25Å; A395-M399 WeakPolarHBondContact O-CB 3.27Å; A395-M399 PolarHBondContact O-N 2.59Å; E396-M399 PolarHBondContact O-N 2.87Å; M399-K402 PolarHBondContact O-N 3.1Å; M399-D403 HydrophobicContact CE-CB 4.48Å; M399-D403 VanDerWaalsContact CE-CG 3.5Å; M399-D403 VanDerWaalsContact CE-OD1 3.27Å; M399-D403 WeakPolarHBondContact CE-OD1 3.31Å; M399-D403 PolarHBondContact O-N 3.31Å; M399-L571 HydrophobicContact SD-CD2 3.84Å; M399-R688 HydrophobicContact CE-CG 4.32Å; M399-R688 HydrophobicContact CG-CG 3.91Å; M399-R688 HydrophobicContact SD-CG 4.19Å; M399-I689 HydrophobicContact CB-CD1 4.42Å; M399-I689 HydrophobicContact CB-CG1 3.87Å; M399-I689 HydrophobicContact CG-CG1 3.81Å; M399-I689 HydrophobicContact SD-CG1 4.32Å; M399-V692 HydrophobicContact CE-CG2 4.14Å; M399-V692 HydrophobicContact SD-CB 4.31Å; M399-V692 HydrophobicContact SD-CG2 3.95Å
400A97Very high94.5Very high0 Ų017.1 Ų17.10%08%0.08CC..Hα-helixtrans-65.3-44.8175.700000113.2E396 M398 L404 W663 F666 Y679 I685E396-A400 WeakPolarHBondContact O-CB 3.46Å; E396-A400 PolarHBondContact O-N 2.64Å; M398-A400 VanDerWaalsContact C-N 3.3Å; M398-A400 PolarHBondContact O-N 2.59Å; A400-L404 VanDerWaalsContact O-CB 3.27Å; A400-L404 WeakPolarHBondContact O-CB 3.27Å; A400-L404 PolarHBondContact O-N 3.34Å; A400-W663 HydrophobicContact CB-CB 4.01Å; A400-F666 HydrophobicContact CB-CB 3.83Å; A400-F666 HydrophobicContact CB-CD2 4.05Å; A400-F666 HydrophobicContact CB-CG 4.31Å; A400-Y679 WeakPolarHBondContact CA-OH 3.4Å; A400-I685 HydrophobicContact CB-CD1 3.92Å
401L96.4Very high94.3Very high0 Ų024.3 Ų24.30%011%0.114CC..Hα-helixtrans-63.1-42.8175.4175.759.8000111.8V389 S397 M398 L404 I405 F589 L591 F666V389-L401 HydrophobicContact CG2-CD2 3.71Å; S397-L401 WeakPolarHBondContact O-CB 3.38Å; S397-L401 PolarHBondContact O-N 2.69Å; M398-L401 PolarHBondContact O-N 3.49Å; L401-L404 PolarHBondContact O-N 3.35Å; L401-I405 HydrophobicContact CD1-CD1 3.45Å; L401-I405 VanDerWaalsContact CD1-CD1 3.45Å; L401-I405 HydrophobicContact CD1-CG1 4.11Å; L401-I405 HydrophobicContact CG-CD1 3.96Å; L401-I405 WeakPolarHBondContact O-CG1 3.35Å; L401-I405 PolarHBondContact O-N 3.3Å; L401-F589 HydrophobicContact CD1-CB 3.89Å; L401-F589 HydrophobicContact CD1-CD2 4.36Å; L401-F589 HydrophobicContact CD1-CG 4.21Å; L401-L591 HydrophobicContact CD2-CB 4.15Å; L401-L591 HydrophobicContact CD2-CD2 4.13Å; L401-F666 HydrophobicContact CB-CD2 4.3Å; L401-F666 HydrophobicContact CB-CE1 4.25Å; L401-F666 HydrophobicContact CB-CE2 3.98Å; L401-F666 HydrophobicContact CB-CZ 3.95Å; L401-F666 HydrophobicContact CD1-CD1 4.26Å; L401-F666 HydrophobicContact CD1-CE1 3.62Å; L401-F666 HydrophobicContact CD1-CZ 3.89Å; L401-F666 HydrophobicContact CD2-CZ 4.32Å; L401-F666 HydrophobicContact CG-CE1 4.43Å; L401-F666 HydrophobicContact CG-CZ 4.27Å
402K95.8Very high94.2Very high39 Ų3924 Ų2417%0.1711%0.112CC..Hα-helixtrans-66.6-50.4179.1-179.4164.9178.6171.80112M398 M399 L404 I405 N406 V413 L571 G572 Y573M398-K402 WeakPolarHBondContact O-CB 3.27Å; M398-K402 PolarHBondContact O-N 3.46Å; M399-K402 PolarHBondContact O-N 3.1Å; K402-L404 PolarHBondContact O-N 3.16Å; K402-I405 PolarHBondContact O-N 3.06Å; K402-N406 WeakPolarHBondContact O-CB 3.28Å; K402-N406 PolarHBondContact O-N 2.85Å; K402-N406 PolarHBondContact O-ND2 3.47Å; K402-N406 PolarHBondContact O-OD1 3.05Å; K402-V413 HydrophobicContact CB-CG1 4.46Å; K402-V413 HydrophobicContact CD-CG2 4.36Å; K402-V413 HydrophobicContact CG-CG2 4.41Å; K402-L571 PolarHBondContact NZ-O 3.21Å; K402-G572 PolarHBondContact NZ-O 3.22Å; K402-Y573 HydrophobicContact CB-CE2 3.91Å; K402-Y573 HydrophobicContact CD-CD2 4.35Å; K402-Y573 HydrophobicContact CD-CE2 4.09Å
403D95.7Very high94.1Very high13 Ų1323.8 Ų23.87%0.0711%0.111CC..Hα-helixtrans-61.6-34.3176.4-83.9-16.1000112M399 R407 L677 R688M399-D403 HydrophobicContact CE-CB 4.48Å; M399-D403 VanDerWaalsContact CE-CG 3.5Å; M399-D403 VanDerWaalsContact CE-OD1 3.27Å; M399-D403 WeakPolarHBondContact CE-OD1 3.31Å; M399-D403 PolarHBondContact O-N 3.31Å; D403-R407 VanDerWaalsContact O-CG 3.24Å; D403-R407 WeakPolarHBondContact O-CG 3.36Å; D403-R407 PolarHBondContact O-N 3.12Å; D403-L677 HydrophobicContact CB-CD2 3.6Å; D403-R688 IonicContact OD1-CZ 2.75Å; D403-R688 IonicContact OD1-NE 2.78Å; D403-R688 PolarHBondContact OD1-NE 2.8Å; D403-R688 IonicContact OD1-NH2 3.16Å; D403-R688 PolarHBondContact OD1-NH2 3.18Å; D403-R688 WeakPolarHBondContact OD2-CG 3.46Å; D403-R688 IonicContact OD2-CZ 3.45Å; D403-R688 IonicContact OD2-NE 2.73Å; D403-R688 PolarHBondContact OD2-NE 3.41Å; D403-R688 IonicContact OD2-NH2 2.71Å
404L94.2Very high94Very high1 Ų123.5 Ų23.51%0.00511%0.109CC..Hα-helixtrans-64.3-49.4175-175.962.8000111.7A400 L401 K402 R407 F408 F589 F666 I669 L677A400-L404 VanDerWaalsContact O-CB 3.27Å; A400-L404 WeakPolarHBondContact O-CB 3.27Å; A400-L404 PolarHBondContact O-N 3.34Å; L401-L404 PolarHBondContact O-N 3.35Å; K402-L404 PolarHBondContact O-N 3.16Å; L404-R407 WeakPolarHBondContact O-CB 3.48Å; L404-R407 PolarHBondContact O-N 3.19Å; L404-F408 HydrophobicContact CD1-CE2 3.89Å; L404-F408 HydrophobicContact CG-CE2 4.2Å; L404-F408 VanDerWaalsContact O-CD2 3.23Å; L404-F408 WeakPolarHBondContact O-CD2 3.38Å; L404-F589 HydrophobicContact CD2-CZ 4.43Å; L404-F666 HydrophobicContact CD2-CB 4.38Å; L404-F666 HydrophobicContact CD2-CD1 3.9Å; L404-I669 HydrophobicContact CD2-CG2 4.18Å; L404-L677 HydrophobicContact CB-CD1 4.32Å
405I93.5Very high93.8Very high0 Ų023.5 Ų23.50%011%0.109CC..Hα-helixtrans-67.6-39.2-177-70.6171.9000111.3V385 G387 L401 K402 R407 F408 S410 V413V385-I405 HydrophobicContact CG1-CG1 4.18Å; G387-I405 VanDerWaalsContact N-CD1 3.33Å; L401-I405 HydrophobicContact CD1-CD1 3.45Å; L401-I405 VanDerWaalsContact CD1-CD1 3.45Å; L401-I405 HydrophobicContact CD1-CG1 4.11Å; L401-I405 HydrophobicContact CG-CD1 3.96Å; L401-I405 WeakPolarHBondContact O-CG1 3.35Å; L401-I405 PolarHBondContact O-N 3.3Å; K402-I405 PolarHBondContact O-N 3.06Å; I405-R407 PolarHBondContact O-N 2.96Å; I405-F408 PolarHBondContact O-N 2.86Å; I405-S410 CarbonylContact C-O 3.58Å; I405-S410 PolarHBondContact O-N 3.3Å; I405-V413 HydrophobicContact CB-CG1 4.24Å; I405-V413 HydrophobicContact CD1-CG1 3.72Å; I405-V413 HydrophobicContact CG2-CG1 4.28Å
406N93.3Very high93.5Very high62 Ų6223.7 Ų23.733%0.33211%0.109SC..Hα-helixtrans-55.2-36.2173.7-67.7-11.3000112.2K402 F408 N409 S410K402-N406 WeakPolarHBondContact O-CB 3.28Å; K402-N406 PolarHBondContact O-N 2.85Å; K402-N406 PolarHBondContact O-ND2 3.47Å; K402-N406 PolarHBondContact O-OD1 3.05Å; N406-F408 VanDerWaalsContact C-N 3.25Å; N406-F408 PolarHBondContact O-N 3.42Å; N406-N409 PolarHBondContact O-N 3.37Å; N406-N409 VanDerWaalsContact O-N 3.12Å; N406-S410 WeakPolarHBondContact CA-O 3.46Å
407R91Very high93.1Very high138 Ų13823.7 Ų23.752%0.52111%0.109SC..Hα-helixtrans-68-20.8178-67.5-73.8-179.71781113.8D403 L404 I405 N409 I675D403-R407 VanDerWaalsContact O-CG 3.24Å; D403-R407 WeakPolarHBondContact O-CG 3.36Å; D403-R407 PolarHBondContact O-N 3.12Å; L404-R407 WeakPolarHBondContact O-CB 3.48Å; L404-R407 PolarHBondContact O-N 3.19Å; I405-R407 PolarHBondContact O-N 2.96Å; R407-N409 VanDerWaalsContact C-N 3.29Å; R407-I675 HydrophobicContact CB-CG2 3.94Å; R407-I675 HydrophobicContact CG-CG2 3.99Å
408F88.7Confident92.7Very high1 Ų125 Ų250%0.00412%0.119CC..THydrogen-bonded Turntrans-91.918.9172.4-65.7-82.2000112.9L368 L372 V385 L404 I405 N406 S410 V673 I675L368-F408 HydrophobicContact CB-CE1 4.03Å; L368-F408 HydrophobicContact CB-CZ 4.07Å; L368-F408 HydrophobicContact CD1-CZ 4.12Å; L368-F408 HydrophobicContact CD2-CD1 4.38Å; L368-F408 HydrophobicContact CD2-CD2 4.46Å; L368-F408 HydrophobicContact CD2-CE1 3.9Å; L368-F408 HydrophobicContact CD2-CE2 4Å; L368-F408 HydrophobicContact CD2-CZ 3.72Å; L368-F408 HydrophobicContact CG-CE1 4.47Å; L368-F408 HydrophobicContact CG-CZ 4.19Å; L372-F408 HydrophobicContact CD1-CE1 4.12Å; L372-F408 HydrophobicContact CD2-CD1 3.55Å; L372-F408 HydrophobicContact CD2-CE1 3.66Å; L372-F408 HydrophobicContact CG-CD1 4.09Å; L372-F408 HydrophobicContact CG-CE1 3.87Å; V385-F408 HydrophobicContact CB-CB 4.35Å; V385-F408 HydrophobicContact CG2-CB 3.95Å; V385-F408 HydrophobicContact CG2-CD1 4.45Å; V385-F408 HydrophobicContact CG2-CG 4.06Å; L404-F408 HydrophobicContact CD1-CE2 3.89Å; L404-F408 HydrophobicContact CG-CE2 4.2Å; L404-F408 VanDerWaalsContact O-CD2 3.23Å; L404-F408 WeakPolarHBondContact O-CD2 3.38Å; I405-F408 PolarHBondContact O-N 2.86Å; N406-F408 VanDerWaalsContact C-N 3.25Å; N406-F408 PolarHBondContact O-N 3.42Å; F408-S410 VanDerWaalsContact C-N 3.33Å; F408-S410 PolarHBondContact O-N 3.16Å; F408-V673 HydrophobicContact CE1-CG1 4.2Å; F408-V673 HydrophobicContact CZ-CG1 3.91Å; F408-I675 HydrophobicContact CE1-CD1 4.38Å; F408-I675 HydrophobicContact CZ-CD1 4.47Å
409N88.3Confident92.3Very high74 Ų7425.4 Ų25.440%0.39612%0.121SC..THydrogen-bonded Turntrans56.544.8-178.2-167.539.2000112.5I379 P380 A382 N406 R407I379-N409 WeakPolarHBondContact CG2-ND2 3.41Å; P380-N409 HydrophobicContact CB-CB 4.12Å; P380-N409 HydrophobicContact CG-CB 4.5Å; P380-N409 PolarHBondContact O-ND2 2.96Å; A382-N409 VanDerWaalsContact CA-O 3.26Å; A382-N409 WeakPolarHBondContact CA-O 3.43Å; N406-N409 PolarHBondContact O-N 3.37Å; N406-N409 VanDerWaalsContact O-N 3.12Å; R407-N409 VanDerWaalsContact C-N 3.29Å
410S90.5Very high91.7Very high2 Ų225.9 Ų25.91%0.01412%0.124CC..  trans-134.1144.4179-179.10000110.1V385 I405 N406 F408 L412V385-S410 WeakPolarHBondContact O-CB 3.49Å; V385-S410 PolarHBondContact O-OG 2.78Å; I405-S410 CarbonylContact C-O 3.58Å; I405-S410 PolarHBondContact O-N 3.3Å; N406-S410 WeakPolarHBondContact CA-O 3.46Å; F408-S410 VanDerWaalsContact C-N 3.33Å; F408-S410 PolarHBondContact O-N 3.16Å; S410-L412 PolarHBondContact OG-N 3.3Å
411E90.3Very high90.4Very high152 Ų15228.6 Ų28.671%0.7114%0.14SC*.  trans-114.211.9174.3-60.1-175.9150.300111.3V413E411-V413 PolarHBondContact O-N 2.84Å
412L91.6Very high89.2Confident6 Ų635.8 Ų35.83%0.03118%0.179CC..  trans-75.367.2-177.3-63.1-168.2000113N383 A386 G387 S410 I579 N583N383-L412 HydrophobicContact CB-CD1 3.74Å; N383-L412 HydrophobicContact CB-CG 4Å; A386-L412 CarbonylContact C-O 3.57Å; A386-L412 WeakPolarHBondContact CA-O 3.43Å; A386-L412 HydrophobicContact CB-CB 3.6Å; A386-L412 HydrophobicContact CB-CD1 4.09Å; A386-L412 WeakPolarHBondContact CB-O 3.18Å; G387-L412 PolarHBondContact N-O 2.74Å; S410-L412 PolarHBondContact OG-N 3.3Å; L412-I579 HydrophobicContact CD2-CG2 3.58Å; L412-N583 HydrophobicContact CD1-CB 3.69Å
413V92.9Very high88.2Confident3 Ų334.2 Ų34.22%0.01817%0.173CC..EExtended strand (participates in β ladder)trans-112114.9172.8-78.50000110K402 I405 E411 Y573 T574K402-V413 HydrophobicContact CB-CG1 4.46Å; K402-V413 HydrophobicContact CD-CG2 4.36Å; K402-V413 HydrophobicContact CG-CG2 4.41Å; I405-V413 HydrophobicContact CB-CG1 4.24Å; I405-V413 HydrophobicContact CD1-CG1 3.72Å; I405-V413 HydrophobicContact CG2-CG1 4.28Å; E411-V413 PolarHBondContact O-N 2.84Å; V413-Y573 HydrophobicContact CB-CD1 3.7Å; V413-Y573 HydrophobicContact CB-CE1 3.54Å; V413-Y573 HydrophobicContact CB-CG 4.25Å; V413-Y573 HydrophobicContact CG1-CE1 4.05Å; V413-Y573 HydrophobicContact CG2-CD1 4.31Å; V413-Y573 HydrophobicContact CG2-CE1 4.42Å; V413-Y573 HydrophobicContact CG2-CG 4.38Å; V413-T574 PolarHBondContact O-N 3.17Å; V413-T574 PolarHBondContact O-OG1 2.77Å
414C92.8Very high87.7Confident0 Ų034.7 Ų34.70%018%0.177CC..EExtended strand (participates in β ladder)trans-127.4154.6-173.9-56.90000112.4G387 L388 V389 T574 I580G387-C414 PolarHBondContact O-N 3.09Å; L388-C414 CarbonylContact C-O 3.52Å; L388-C414 WeakPolarHBondContact CA-O 3.48Å; L388-C414 HydrophobicContact CD1-CB 4.11Å; V389-C414 PolarHBondContact N-O 2.68Å; C414-T574 VanDerWaalsContact CA-O 3.32Å; C414-T574 WeakPolarHBondContact CA-O 3.2Å; C414-T574 PolarHBondContact SG-OG1 2.9Å; C414-I580 HydrophobicContact CB-CD1 3.76Å; C414-I580 VanDerWaalsContact SG-CD1 3.53Å
415T93.1Very high87.4Confident0 Ų041.4 Ų41.40%021%0.212CC..EExtended strand (participates in β ladder)trans-98.4161.4168.252.70000112.2L388 V389 E417 Q565 A568 T574 I577L388-T415 WeakPolarHBondContact CD1-O 3.3Å; V389-T415 HydrophobicContact CB-CG2 4.47Å; V389-T415 CarbonylContact O-C 3.4Å; V389-T415 WeakPolarHBondContact O-CA 3.5Å; T415-E417 PolarHBondContact O-N 3.47Å; T415-E417 PolarHBondContact OG1-O 2.94Å; T415-Q565 PolarHBondContact OG1-OE1 3.29Å; T415-Q565 VanDerWaalsContact OG1-OE1 3.11Å; T415-A568 HydrophobicContact CG2-CB 3.39Å; T415-T574 PolarHBondContact N-O 2.69Å; T415-I577 WeakPolarHBondContact O-CG1 3.31Å
416E89.8Confident87.2Confident4 Ų442.9 Ų42.92%0.01922%0.22CC..SBendtrans-72.6-10171.1-76.8-160.1134.500114.6L388 V389 P391 A593 D594 R595 L597L388-E416 HydrophobicContact CD1-CG 4.33Å; L388-E416 HydrophobicContact CD2-CG 4.17Å; L388-E416 HydrophobicContact CG-CG 4.1Å; V389-E416 PolarHBondContact O-N 2.81Å; P391-E416 WeakPolarHBondContact CD-OE2 3.42Å; E416-A593 HydrophobicContact CG-CB 3.81Å; E416-A593 VanDerWaalsContact OE1-C 3.23Å; E416-A593 VanDerWaalsContact OE1-CA 3.31Å; E416-A593 WeakPolarHBondContact OE1-CA 3.33Å; E416-A593 WeakPolarHBondContact OE1-CB 3.18Å; E416-D594 PolarHBondContact OE1-N 2.92Å; E416-R595 WeakPolarHBondContact OE1-CB 3.18Å; E416-R595 PolarHBondContact OE1-N 2.85Å; E416-R595 WeakPolarHBondContact OE2-CG 3.35Å; E416-L597 HydrophobicContact CB-CD1 4.16Å; E416-L597 WeakPolarHBondContact O-CD1 3.49Å
417E89.5Confident87.1Confident0 Ų043 Ų430%022%0.216CC..SBendtrans-115.3113.4178.9171.6127.6-94.600108.2T415 R561 Q565T415-E417 PolarHBondContact O-N 3.47Å; T415-E417 PolarHBondContact OG1-O 2.94Å; E417-R561 IonicContact OE1-CZ 3.62Å; E417-R561 IonicContact OE1-NE 2.77Å; E417-R561 PolarHBondContact OE1-NE 3.07Å; E417-R561 IonicContact OE1-NH2 2.69Å; E417-R561 PolarHBondContact OE1-NH2 2.88Å; E417-R561 VanDerWaalsContact OE2-CG 3.28Å; E417-R561 WeakPolarHBondContact OE2-CG 3.34Å; E417-R561 IonicContact OE2-NE 3.85Å; E417-Q565 HydrophobicContact CG-CG 4.29Å; E417-Q565 PolarHBondContact O-NE2 3.31Å; E417-Q565 PolarHBondContact O-OE1 3.45Å
418S87.5Confident87.1Confident29 Ų2936.4 Ų36.420%0.20319%0.191CC..  trans-76.7154-17661.30000112.2Q527 S575S418-Q527 PolarHBondContact O-NE2 3.28Å; S418-Q527 PolarHBondContact OG-OE1 2.85Å; S418-S575 CarbonylContact C-O 3.47Å; S418-S575 WeakPolarHBondContact CA-O 3.5Å; S418-S575 WeakPolarHBondContact CB-O 3.35Å
419F89.5Confident87.2Confident8 Ų837 Ų374%0.03519%0.194CC..  trans-154.5146.3-177.9-170.5-92.8000108.6T421 S423 T424 Y430 L526 H535 V558 L569 S575F419-T421 PolarHBondContact O-N 3.5Å; F419-S423 WeakPolarHBondContact CE1-OG 3.45Å; F419-T424 HydrophobicContact CD1-CG2 3.94Å; F419-T424 HydrophobicContact CE1-CG2 4.4Å; F419-Y430 HydrophobicContact CE1-CD1 4.48Å; F419-L526 HydrophobicContact CD2-CD1 3.61Å; F419-L526 HydrophobicContact CE2-CD1 3.41Å; F419-L526 VanDerWaalsContact CE2-CD1 3.41Å; F419-L526 HydrophobicContact CZ-CD1 4.44Å; F419-H535 AromaticContact CZ-CD2 3.92Å; F419-H535 AromaticContact CZ-NE2 3.81Å; F419-V558 HydrophobicContact CE2-CG1 4.37Å; F419-L569 HydrophobicContact CD1-CD1 4.44Å; F419-L569 HydrophobicContact CG-CD1 4.43Å; F419-S575 PolarHBondContact N-O 2.91Å; F419-S575 PolarHBondContact O-OG 3.48Å
420P84.3Confident87.4Confident11 Ų1133.6 Ų33.67%0.07118%0.176CC..  trans-64.9108.7-176.121.3-31.4000112.6N422 S423 A532 H535P420-N422 VanDerWaalsContact C-N 3.32Å; P420-N422 PolarHBondContact O-N 3.44Å; P420-S423 PolarHBondContact O-N 3.48Å; P420-S423 PolarHBondContact O-OG 3.3Å; P420-A532 HydrophobicContact CB-CB 3.78Å; P420-H535 HydrophobicContact CG-CB 3.91Å
421T70.3Confident87.6Confident57 Ų5733.7 Ų33.735%0.3518%0.176SC..G310 helixtrans-50.5-42.6-173.549.50000114.2F419 S423 T424 D576F419-T421 PolarHBondContact O-N 3.5Å; T421-S423 PolarHBondContact O-N 3.23Å; T421-T424 PolarHBondContact O-N 3.12Å; T421-T424 PolarHBondContact O-OG1 2.99Å; T421-T424 VanDerWaalsContact O-OG1 3.08Å; T421-D576 HydrophobicContact CG2-CB 4.12Å
422N69.8Low87.8Confident151 Ų15126.5 Ų26.581%0.80714%0.142SC*.G310 helixtrans-64.16.9178.6-64.5-6.4000115P420P420-N422 VanDerWaalsContact C-N 3.32Å; P420-N422 PolarHBondContact O-N 3.44Å
423S76.2Confident87.9Confident7 Ų727 Ų275%0.04915%0.145CC..G310 helixtrans-128.3-0.4-177.970.50000114.5F419 P420 T421 D425 N429F419-S423 WeakPolarHBondContact CE1-OG 3.45Å; P420-S423 PolarHBondContact O-N 3.48Å; P420-S423 PolarHBondContact O-OG 3.3Å; T421-S423 PolarHBondContact O-N 3.23Å; S423-D425 VanDerWaalsContact C-N 3.34Å; S423-D425 PolarHBondContact O-N 2.85Å; S423-N429 VanDerWaalsContact O-CB 3.25Å; S423-N429 WeakPolarHBondContact O-CB 3.32Å; S423-N429 PolarHBondContact O-ND2 2.92Å
424T84.4Confident87.8Confident23 Ų2327.8 Ų27.814%0.14115%0.151CC..THydrogen-bonded Turntrans-73.9-18-176.453.10000114.8F419 T421 L426 Y430 L569F419-T424 HydrophobicContact CD1-CG2 3.94Å; F419-T424 HydrophobicContact CE1-CG2 4.4Å; T421-T424 PolarHBondContact O-N 3.12Å; T421-T424 PolarHBondContact O-OG1 2.99Å; T421-T424 VanDerWaalsContact O-OG1 3.08Å; T424-L426 VanDerWaalsContact C-N 3.28Å; T424-L426 PolarHBondContact O-N 2.8Å; T424-Y430 WeakPolarHBondContact O-CE1 3.49Å; T424-L569 HydrophobicContact CG2-CD2 3.73Å
425D87.9Confident87.8Confident142 Ų14232.7 Ų32.776%0.75917%0.169SC*.THydrogen-bonded Turntrans-68.2-27.3-175.4-56.5-16.2000113.2S423S423-D425 VanDerWaalsContact C-N 3.34Å; S423-D425 PolarHBondContact O-N 2.85Å
426L89.8Confident87.9Confident30 Ų3032.7 Ų32.716%0.15717%0.169CC..SBendtrans-114.1108.6-175.3-49.7-178.3000109.5T424 S428 N429 V709 L712 A713 L716T424-L426 VanDerWaalsContact C-N 3.28Å; T424-L426 PolarHBondContact O-N 2.8Å; L426-S428 PolarHBondContact O-N 2.82Å; L426-N429 WeakPolarHBondContact O-CB 3.43Å; L426-N429 PolarHBondContact O-N 2.86Å; L426-V709 HydrophobicContact CB-CG1 4.15Å; L426-V709 HydrophobicContact CD2-CG1 4.21Å; L426-L712 HydrophobicContact CD1-CD2 4.15Å; L426-L712 HydrophobicContact CD1-CG 4.12Å; L426-L712 HydrophobicContact CD2-CD2 4.27Å; L426-A713 HydrophobicContact CD1-CB 3.8Å; L426-L716 HydrophobicContact CD1-CD1 4.17Å
427R91.2Very high88Confident65 Ų6534.3 Ų34.325%0.24518%0.179CC..G310 helixtrans-44.9-37.6-179.4-56.8-17382.1-1467.2113.5N429 Y430 L431 D570 G644R427-N429 PolarHBondContact O-N 3.3Å; R427-Y430 PolarHBondContact O-N 2.99Å; R427-L431 HydrophobicContact CB-CD1 3.91Å; R427-L431 HydrophobicContact CB-CG 4.28Å; R427-L431 WeakPolarHBondContact O-CG 3.41Å; R427-L431 PolarHBondContact O-N 3.15Å; R427-L431 VanDerWaalsContact O-N 3.08Å; R427-D570 IonicContact CZ-OD1 2.73Å; R427-D570 VanDerWaalsContact CZ-OD1 3.3Å; R427-D570 IonicContact CZ-OD2 2.97Å; R427-D570 IonicContact NE-OD1 3.18Å; R427-D570 PolarHBondContact NE-OD1 2.79Å; R427-D570 IonicContact NE-OD2 2.68Å; R427-D570 VanDerWaalsContact NH2-CG 3.3Å; R427-D570 IonicContact NH2-OD1 2.8Å; R427-D570 PolarHBondContact NH2-OD1 3.22Å; R427-D570 VanDerWaalsContact NH2-OD1 3.09Å; R427-D570 IonicContact NH2-OD2 2.87Å; R427-D570 PolarHBondContact NH2-OD2 2.74Å; R427-G644 PolarHBondContact NH2-O 3.36Å
428S90.8Very high88.1Confident0 Ų035 Ų350%019%0.186CC..G310 helixtrans-61.2-13.3-179.489.40000115.3L426 N433 R539L426-S428 PolarHBondContact O-N 2.82Å; S428-N433 VanDerWaalsContact CA-OD1 3.27Å; S428-N433 WeakPolarHBondContact CA-OD1 3.2Å; S428-N433 PolarHBondContact O-ND2 2.93Å; S428-R539 PolarHBondContact O-NH1 3.23Å; S428-R539 PolarHBondContact OG-NH1 2.94Å; S428-R539 PolarHBondContact OG-NH2 2.71Å
429N91.6Very high88.4Confident12 Ų1233.6 Ų33.66%0.06418%0.176CC..G310 helixtrans-81.4-20.4176.4-69.8-21000113.6S423 L426 R427 H535 F556 V558S423-N429 VanDerWaalsContact O-CB 3.25Å; S423-N429 WeakPolarHBondContact O-CB 3.32Å; S423-N429 PolarHBondContact O-ND2 2.92Å; L426-N429 WeakPolarHBondContact O-CB 3.43Å; L426-N429 PolarHBondContact O-N 2.86Å; R427-N429 PolarHBondContact O-N 3.3Å; N429-H535 PolarHBondContact O-NE2 2.83Å; N429-F556 WeakPolarHBondContact O-CE1 3.35Å; N429-V558 WeakPolarHBondContact O-CG2 3.4Å
430Y92.6Very high88.6Confident4 Ų435.8 Ų35.82%0.01619%0.187CC..THydrogen-bonded Turntrans-126.9-5.3-178.256.7-98.3000114.7F419 T424 R427 H560 V566 L569 D570F419-Y430 HydrophobicContact CE1-CD1 4.48Å; T424-Y430 WeakPolarHBondContact O-CE1 3.49Å; R427-Y430 PolarHBondContact O-N 2.99Å; Y430-H560 PolarHBondContact O-CD2 2.81Å; Y430-H560 PolarHBondContact O-NE2 2.99Å; Y430-V566 HydrophobicContact CD2-CG1 4.48Å; Y430-V566 HydrophobicContact CE2-CG1 4.28Å; Y430-L569 HydrophobicContact CD1-CB 4.39Å; Y430-L569 HydrophobicContact CD1-CD1 4.12Å; Y430-L569 HydrophobicContact CD2-CB 4.07Å; Y430-L569 HydrophobicContact CD2-CD1 3.82Å; Y430-L569 HydrophobicContact CE1-CB 4.04Å; Y430-L569 HydrophobicContact CE2-CB 3.7Å; Y430-L569 HydrophobicContact CE2-CD1 4.34Å; Y430-L569 HydrophobicContact CG-CB 4.39Å; Y430-L569 HydrophobicContact CG-CD1 3.69Å; Y430-L569 PolarHBondContact OH-O 2.88Å; Y430-D570 PolarHBondContact OH-N 3.22Å; Y430-D570 PolarHBondContact OH-OD1 2.91Å; Y430-D570 VanDerWaalsContact OH-OD1 3.11Å
431L94.7Very high88.9Confident4 Ų441.1 Ų41.12%0.02122%0.215CC..SBendtrans-86.4157.2175-64.9-174.2000113.4R427 N433 V558 V566R427-L431 HydrophobicContact CB-CD1 3.91Å; R427-L431 HydrophobicContact CB-CG 4.28Å; R427-L431 WeakPolarHBondContact O-CG 3.41Å; R427-L431 PolarHBondContact O-N 3.15Å; R427-L431 VanDerWaalsContact O-N 3.08Å; L431-N433 PolarHBondContact O-N 2.86Å; L431-N433 VanDerWaalsContact O-N 3.07Å; L431-N433 PolarHBondContact O-ND2 3.38Å; L431-N433 VanDerWaalsContact O-ND2 3.14Å; L431-V558 PolarHBondContact O-N 3.31Å; L431-V566 HydrophobicContact CD2-CG1 3.49Å; L431-V566 VanDerWaalsContact CD2-CG1 3.49Å
432F94.3Very high90Very high0 Ų038.6 Ų38.60%020%0.2CC..BIsolated β-bridgetrans-78.571.4162.2-154.8-79.7000109.1S434 R435 I439 L459 I520 N557 T642 E643F432-S434 WeakPolarHBondContact CE1-OG 3.23Å; F432-S434 PolarHBondContact O-N 3.27Å; F432-S434 VanDerWaalsContact O-N 3.12Å; F432-R435 WeakPolarHBondContact CE1-O 3.3Å; F432-R435 PolarHBondContact O-N 2.93Å; F432-I439 HydrophobicContact CE1-CD1 4.04Å; F432-I439 HydrophobicContact CE1-CG1 4.09Å; F432-I439 HydrophobicContact CZ-CD1 3.8Å; F432-I439 HydrophobicContact CZ-CG1 4.14Å; F432-L459 HydrophobicContact CE2-CD2 4.03Å; F432-L459 HydrophobicContact CZ-CD1 4.32Å; F432-L459 HydrophobicContact CZ-CD2 4.41Å; F432-I520 HydrophobicContact CE2-CD1 3.84Å; F432-I520 HydrophobicContact CE2-CG1 3.87Å; F432-I520 HydrophobicContact CE2-CG2 3.94Å; F432-I520 HydrophobicContact CZ-CD1 3.71Å; F432-I520 HydrophobicContact CZ-CG1 3.99Å; F432-N557 WeakPolarHBondContact CA-OD1 3.25Å; F432-N557 HydrophobicContact CD1-CB 4.35Å; F432-N557 WeakPolarHBondContact CD1-OD1 3.38Å; F432-N557 HydrophobicContact CD2-CB 3.75Å; F432-N557 HydrophobicContact CE1-CB 4.47Å; F432-N557 HydrophobicContact CE2-CB 3.88Å; F432-N557 HydrophobicContact CG-CB 3.99Å; F432-N557 HydrophobicContact CZ-CB 4.23Å; F432-T642 HydrophobicContact CB-CG2 4.07Å; F432-T642 WeakPolarHBondContact CB-O 3.36Å; F432-T642 HydrophobicContact CG-CG2 4.48Å; F432-T642 PolarHBondContact N-O 2.9Å; F432-E643 HydrophobicContact CB-CB 4.12Å
433N93Very high91.2Very high16 Ų1633.9 Ų33.99%0.08617%0.174CC..THydrogen-bonded Turntrans-56-24.5-171-60.6-69.3000115.7S428 L431 R435 Q554 F556 N557 P705S428-N433 VanDerWaalsContact CA-OD1 3.27Å; S428-N433 WeakPolarHBondContact CA-OD1 3.2Å; S428-N433 PolarHBondContact O-ND2 2.93Å; L431-N433 PolarHBondContact O-N 2.86Å; L431-N433 VanDerWaalsContact O-N 3.07Å; L431-N433 PolarHBondContact O-ND2 3.38Å; L431-N433 VanDerWaalsContact O-ND2 3.14Å; N433-R435 VanDerWaalsContact C-N 3.25Å; N433-R435 PolarHBondContact O-N 2.85Å; N433-Q554 HydrophobicContact CB-CB 3.74Å; N433-Q554 HydrophobicContact CB-CG 4.03Å; N433-F556 PolarHBondContact ND2-O 3.37Å; N433-N557 PolarHBondContact N-OD1 2.55Å; N433-P705 HydrophobicContact CB-CG 4.39Å
434S91.5Very high92.1Very high20 Ų2033.5 Ų33.514%0.1417%0.172CC..THydrogen-bonded Turntrans-77.3-8.717863.70000114F432 G438 Q554 N557F432-S434 WeakPolarHBondContact CE1-OG 3.23Å; F432-S434 PolarHBondContact O-N 3.27Å; F432-S434 VanDerWaalsContact O-N 3.12Å; S434-G438 WeakPolarHBondContact O-CA 3.38Å; S434-Q554 WeakPolarHBondContact CB-O 3.42Å; S434-N557 PolarHBondContact N-OD1 2.94Å; S434-N557 PolarHBondContact OG-ND2 2.86Å; S434-N557 PolarHBondContact OG-OD1 2.92Å; S434-N557 VanDerWaalsContact OG-OD1 3.06Å
435R93Very high92.6Very high104 Ų10432.4 Ų32.439%0.39217%0.165SC..  trans66.2157.3-163-56.5174.9172.3176.7-5.8113.1F432 N433 T437 G438 E643 V702F432-R435 WeakPolarHBondContact CE1-O 3.3Å; F432-R435 PolarHBondContact O-N 2.93Å; N433-R435 VanDerWaalsContact C-N 3.25Å; N433-R435 PolarHBondContact O-N 2.85Å; R435-T437 PolarHBondContact O-N 3.03Å; R435-G438 PolarHBondContact O-N 3.44Å; R435-E643 VanDerWaalsContact CA-OE2 3.25Å; R435-E643 WeakPolarHBondContact CA-OE2 3.46Å; R435-E643 WeakPolarHBondContact CB-OE2 3.21Å; R435-V702 HydrophobicContact CG-CB 4.44Å; R435-V702 HydrophobicContact CG-CG1 4.02Å; R435-V702 PolarHBondContact NH2-O 2.91Å; R435-V702 VanDerWaalsContact NH2-O 3.12Å
436I93.6Very high93Very high0 Ų025.7 Ų25.70%013%0.129CC..SBendtrans-63.5-33.8176.4-64162.2000110.8L296 D319 V320 L459 E643L296-I436 HydrophobicContact CD1-CD1 3.48Å; L296-I436 VanDerWaalsContact CD1-CD1 3.48Å; L296-I436 HydrophobicContact CD1-CG1 3.88Å; L296-I436 HydrophobicContact CG-CD1 3.87Å; D319-I436 WeakPolarHBondContact O-CB 3.45Å; V320-I436 HydrophobicContact CB-CD1 4.49Å; V320-I436 HydrophobicContact CG1-CD1 4.19Å; V320-I436 HydrophobicContact CG2-CD1 4.28Å; I436-L459 HydrophobicContact CG1-CD1 4.38Å; I436-L459 HydrophobicContact CG2-CD1 4.16Å; I436-E643 HydrophobicContact CD1-CG 3.92Å; I436-E643 HydrophobicContact CG1-CB 4.45Å; I436-E643 HydrophobicContact CG1-CG 4.2Å; I436-E643 PolarHBondContact N-OE2 3.46Å
437T93.3Very high93.4Very high37 Ų3724.2 Ų24.223%0.22712%0.122CC..G310 helixtrans-74.7-31175.136.70000114.3E318 R435 I439 E440E318-T437 WeakPolarHBondContact O-CG2 3.39Å; R435-T437 PolarHBondContact O-N 3.03Å; T437-I439 PolarHBondContact O-N 3.36Å; T437-E440 WeakPolarHBondContact O-CB 3.22Å; T437-E440 WeakPolarHBondContact O-CG 3.4Å; T437-E440 PolarHBondContact O-N 3.47Å
438G91.5Very high93.6Very high14 Ų1421.1 Ų21.114%0.14411%0.11CC..G310 helixtrans-69.3-1.3179.800000114.9S434 R435 I518S434-G438 WeakPolarHBondContact O-CA 3.38Å; R435-G438 PolarHBondContact O-N 3.44Å; G438-I518 WeakPolarHBondContact O-CD1 3.49Å
439I93.2Very high93.7Very high0 Ų021.1 Ų21.10%011%0.11CC..G310 helixtrans-66.4-29.6165-65177000110.8F432 T437 D441 A442 I445 L459 L463F432-I439 HydrophobicContact CE1-CD1 4.04Å; F432-I439 HydrophobicContact CE1-CG1 4.09Å; F432-I439 HydrophobicContact CZ-CD1 3.8Å; F432-I439 HydrophobicContact CZ-CG1 4.14Å; T437-I439 PolarHBondContact O-N 3.36Å; I439-D441 VanDerWaalsContact C-N 3.28Å; I439-D441 PolarHBondContact O-N 2.9Å; I439-A442 VanDerWaalsContact O-CB 3.3Å; I439-A442 WeakPolarHBondContact O-CB 3.42Å; I439-A442 PolarHBondContact O-N 3.32Å; I439-A442 VanDerWaalsContact O-N 3.16Å; I439-I445 HydrophobicContact CG2-CD1 3.9Å; I439-L459 HydrophobicContact CD1-CD1 3.52Å; I439-L459 HydrophobicContact CD1-CG 4.03Å; I439-L463 HydrophobicContact CG2-CD2 3.86Å
440E92.6Very high93.8Very high55 Ų5520.6 Ų20.626%0.25711%0.107SC..THydrogen-bonded Turntrans-73.8-20.3-176.2-54.7-170.6-166.100112.3T437 R462 K465 N470T437-E440 WeakPolarHBondContact O-CB 3.22Å; T437-E440 WeakPolarHBondContact O-CG 3.4Å; T437-E440 PolarHBondContact O-N 3.47Å; E440-R462 IonicContact OE1-CZ 2.74Å; E440-R462 IonicContact OE1-NH1 2.73Å; E440-R462 PolarHBondContact OE1-NH1 3.43Å; E440-K465 IonicContact OE1-NZ 3.17Å; E440-K465 PolarHBondContact OE1-NZ 2.95Å; E440-K465 WeakPolarHBondContact OE2-CE 3.09Å; E440-K465 IonicContact OE2-NZ 3.71Å; E440-K465 PolarHBondContact OE2-NZ 3.47Å; E440-N470 PolarHBondContact O-ND2 3.1Å
441D92.4Very high93.9Very high122 Ų12220.5 Ų20.565%0.65211%0.107SC*.THydrogen-bonded Turntrans-87.4-6.1171.9-61.3-53000113.7I439 H516I439-D441 VanDerWaalsContact C-N 3.28Å; I439-D441 PolarHBondContact O-N 2.9Å; D441-H516 WeakPolarHBondContact O-CB 3.44Å
442A93.1Very high94Very high4 Ų420.3 Ų20.33%0.03311%0.106CC..  trans-82.1143.2-170.900000113.1I439 I445 L472 I518I439-A442 VanDerWaalsContact O-CB 3.3Å; I439-A442 WeakPolarHBondContact O-CB 3.42Å; I439-A442 PolarHBondContact O-N 3.32Å; I439-A442 VanDerWaalsContact O-N 3.16Å; A442-I445 HydrophobicContact CB-CD1 3.99Å; A442-I445 HydrophobicContact CB-CG1 4.07Å; A442-L472 HydrophobicContact CB-CD1 4.32Å; A442-I518 HydrophobicContact CB-CD1 3.99Å; A442-I518 HydrophobicContact CB-CG1 4.44Å
443D93.8Very high94Very high52 Ų5220.9 Ų20.928%0.27811%0.108SC..SBendtrans-112.8-20.3175.761.7-0.9000114.2E473 S514 S515 H516D443-E473 WeakPolarHBondContact O-CB 3.41Å; D443-E473 PolarHBondContact O-N 2.71Å; D443-E473 VanDerWaalsContact O-N 3.07Å; D443-S514 WeakPolarHBondContact OD1-CB 3.43Å; D443-S514 PolarHBondContact OD1-OG 3.12Å; D443-S515 PolarHBondContact OD1-N 3.21Å; D443-S515 WeakPolarHBondContact OD2-CA 3.25Å; D443-S515 WeakPolarHBondContact OD2-CB 3.49Å; D443-S515 PolarHBondContact OD2-N 3.48Å; D443-S515 PolarHBondContact OD2-OG 2.93Å; D443-H516 PolarHBondContact N-O 3.32Å; D443-H516 WeakPolarHBondContact OD1-CA 3.48Å; D443-H516 PolarHBondContact OD1-N 2.94Å
444L95.1Very high94.1Very high0 Ų020.6 Ų20.60%011%0.106CC..EExtended strand (participates in β ladder)trans-141.4121.8171.6-164.1175000110.8E473 L507 R510 L511 S514 P517 I518L444-E473 CarbonylContact C-O 3.55Å; L444-E473 VanDerWaalsContact CA-O 3.29Å; L444-E473 WeakPolarHBondContact CA-O 3.38Å; L444-E473 HydrophobicContact CB-CB 4.48Å; L444-E473 VanDerWaalsContact CD1-OE2 3.31Å; L444-E473 WeakPolarHBondContact CD1-OE2 3.41Å; L444-E473 HydrophobicContact CG-CB 4.24Å; L444-E473 HydrophobicContact CG-CG 4.17Å; L444-L507 HydrophobicContact CD1-CD1 4.36Å; L444-R510 HydrophobicContact CD1-CB 3.8Å; L444-L511 HydrophobicContact CD1-CD2 4.07Å; L444-L511 HydrophobicContact CD1-CG 4.25Å; L444-L511 HydrophobicContact CD2-CD2 3.71Å; L444-L511 HydrophobicContact CG-CD2 4.46Å; L444-S514 WeakPolarHBondContact CB-OG 3.41Å; L444-P517 WeakPolarHBondContact O-CA 3.25Å; L444-I518 PolarHBondContact O-N 2.7Å
445I96.5Very high94.2Very high0 Ų019.8 Ų19.80%010%0.1CC..EExtended strand (participates in β ladder)trans-113.3124.8175.3-72.8178000111.7I439 A442 L447 L463 L472 E473 I474 C475 I518 I520I439-I445 HydrophobicContact CG2-CD1 3.9Å; A442-I445 HydrophobicContact CB-CD1 3.99Å; A442-I445 HydrophobicContact CB-CG1 4.07Å; I445-L447 HydrophobicContact CG2-CD2 3.73Å; I445-L447 HydrophobicContact CG2-CG 4.16Å; I445-L463 HydrophobicContact CD1-CD2 3.45Å; I445-L463 VanDerWaalsContact CD1-CD2 3.45Å; I445-L463 HydrophobicContact CG2-CD2 4.22Å; I445-L472 HydrophobicContact CB-CD1 4.34Å; I445-L472 HydrophobicContact CD1-CD1 4.12Å; I445-L472 HydrophobicContact CD1-CD2 4.03Å; I445-L472 HydrophobicContact CG1-CD1 3.97Å; I445-E473 PolarHBondContact N-O 3.14Å; I445-I474 WeakPolarHBondContact O-CA 3.29Å; I445-C475 PolarHBondContact O-N 2.78Å; I445-I518 WeakPolarHBondContact CA-O 3.18Å; I445-I518 HydrophobicContact CD1-CG2 4.3Å; I445-I518 HydrophobicContact CG1-CB 3.92Å; I445-I518 HydrophobicContact CG1-CG2 3.95Å; I445-I520 HydrophobicContact CG2-CD1 3.99Å; I445-I520 HydrophobicContact CG2-CG1 4.49Å
446L96.5Very high94.3Very high0 Ų014.9 Ų14.90%08%0.082CC..EExtended strand (participates in β ladder)trans-103.4107.5172175.457.8000110.5I448 C475 L490 L500 L507 L511 I518 I519 I520L446-I448 HydrophobicContact CD1-CG1 4.28Å; L446-I448 HydrophobicContact CD2-CD1 4.02Å; L446-I448 HydrophobicContact CD2-CG1 4.34Å; L446-I448 HydrophobicContact CG-CD1 4.07Å; L446-I448 HydrophobicContact CG-CG1 3.86Å; L446-C475 HydrophobicContact CD1-CB 4.07Å; L446-L490 HydrophobicContact CD1-CD1 3.51Å; L446-L500 HydrophobicContact CD2-CD1 4.36Å; L446-L507 HydrophobicContact CD1-CD2 4.1Å; L446-L507 HydrophobicContact CD2-CD2 4.39Å; L446-L511 HydrophobicContact CD2-CD1 4.49Å; L446-I518 PolarHBondContact N-O 3.05Å; L446-I519 HydrophobicContact CB-CG1 4.32Å; L446-I519 HydrophobicContact CB-CG2 4.35Å; L446-I519 HydrophobicContact CD2-CG2 4.29Å; L446-I519 HydrophobicContact CG-CG2 4.29Å; L446-I519 WeakPolarHBondContact O-CA 3.32Å; L446-I520 PolarHBondContact O-N 3.42Å
447L96.8Very high94.5Very high0 Ų015 Ų150%08%0.082CC..EExtended strand (participates in β ladder)trans-84.9128.5172.5-56.9179.5000109.9I445 T450 P452 L463 I474 C475 L476 L477 L483 I520I445-L447 HydrophobicContact CG2-CD2 3.73Å; I445-L447 HydrophobicContact CG2-CG 4.16Å; L447-T450 HydrophobicContact CB-CG2 4.16Å; L447-T450 HydrophobicContact CD2-CG2 4.45Å; L447-P452 HydrophobicContact CD1-CG 4.02Å; L447-L463 HydrophobicContact CD2-CD1 4.32Å; L447-I474 HydrophobicContact CD1-CG2 3.95Å; L447-I474 HydrophobicContact CG-CG2 4.21Å; L447-C475 PolarHBondContact N-O 2.82Å; L447-L476 HydrophobicContact CB-CD1 3.63Å; L447-L476 HydrophobicContact CD1-CD1 4.32Å; L447-L477 PolarHBondContact O-N 2.92Å; L447-L483 HydrophobicContact CD1-CD1 3.77Å; L447-I520 HydrophobicContact CD2-CB 4.04Å; L447-I520 HydrophobicContact CD2-CD1 3.91Å; L447-I520 HydrophobicContact CD2-CG1 4.41Å
448I95.4Very high94.6Very high0 Ų013.4 Ų13.40%07%0.072CC..EExtended strand (participates in β ladder)trans-126.9110.2-178.2-54.7179.7000109.8L446 T450 L477 L497 I519 I520 L521 G522 V538L446-I448 HydrophobicContact CD1-CG1 4.28Å; L446-I448 HydrophobicContact CD2-CD1 4.02Å; L446-I448 HydrophobicContact CD2-CG1 4.34Å; L446-I448 HydrophobicContact CG-CD1 4.07Å; L446-I448 HydrophobicContact CG-CG1 3.86Å; I448-T450 PolarHBondContact O-N 2.62Å; I448-L477 HydrophobicContact CG2-CD2 4.41Å; I448-L497 HydrophobicContact CD1-CD1 4.25Å; I448-I519 HydrophobicContact CD1-CG2 3.59Å; I448-I519 HydrophobicContact CG1-CG2 4.27Å; I448-I520 PolarHBondContact N-O 2.96Å; I448-L521 HydrophobicContact CB-CD1 4.15Å; I448-L521 HydrophobicContact CG2-CD1 3.88Å; I448-G522 PolarHBondContact O-N 2.74Å; I448-V538 HydrophobicContact CD1-CB 4.49Å; I448-V538 HydrophobicContact CD1-CG1 3.95Å; I448-V538 HydrophobicContact CD1-CG2 3.7Å; I448-V538 HydrophobicContact CG2-CG2 4.43Å
449G92.4Very high94.8Very high0 Ų012.7 Ų12.70%07%0.066CC..SBendtrans54.547.2174.200000114.1L477 C525 L735G449-L477 PolarHBondContact N-O 3.37Å; G449-C525 WeakPolarHBondContact O-CB 3.5Å; G449-L735 WeakPolarHBondContact O-CD2 3.39Å
450T94.3Very high95Very high1 Ų112.8 Ų12.81%0.0067%0.066CC..  trans-139.7145.3175172.60000109.5L447 I448 P452 E455L447-T450 HydrophobicContact CB-CG2 4.16Å; L447-T450 HydrophobicContact CD2-CG2 4.45Å; I448-T450 PolarHBondContact O-N 2.62Å; T450-P452 WeakPolarHBondContact O-CD 3.02Å; T450-E455 WeakPolarHBondContact CA-OE1 3.48Å; T450-E455 WeakPolarHBondContact CB-OE2 3.25Å; T450-E455 VanDerWaalsContact OG1-CD 3.27Å; T450-E455 PolarHBondContact OG1-OE2 2.93Å
451N95.4Very high95.2Very high1 Ų110.5 Ų10.51%0.0056%0.057CC..  trans-109.184.6159.9-175.2-0.7000108.5R453 F454 E455 V481 L483 L735 L737N451-R453 PolarHBondContact O-N 2.95Å; N451-R453 WeakPolarHBondContact OD1-CB 3.43Å; N451-F454 WeakPolarHBondContact ND2-CD2 3.45Å; N451-F454 PolarHBondContact O-N 3.09Å; N451-E455 PolarHBondContact N-OE1 2.85Å; N451-E455 PolarHBondContact O-N 3.19Å; N451-V481 HydrophobicContact CB-CG2 4.44Å; N451-L483 WeakPolarHBondContact OD1-CD2 3.49Å; N451-L735 HydrophobicContact CB-CD1 3.83Å; N451-L737 PolarHBondContact ND2-O 3.41Å
452P95.6Very high95.3Very high1 Ų15 Ų51%0.0063%0.027CC..Hα-helixtrans-60.3-25.4-172.924-34.3000112.2L447 T450 F454 A456 L463 L483 L559L447-P452 HydrophobicContact CD1-CG 4.02Å; T450-P452 WeakPolarHBondContact O-CD 3.02Å; P452-F454 VanDerWaalsContact C-N 3.27Å; P452-F454 PolarHBondContact O-N 3.35Å; P452-A456 CarbonylContact O-C 3.55Å; P452-A456 WeakPolarHBondContact O-CA 3.29Å; P452-A456 PolarHBondContact O-N 3.43Å; P452-L463 HydrophobicContact CB-CD1 4.3Å; P452-L463 HydrophobicContact CG-CD1 4.09Å; P452-L483 HydrophobicContact CG-CD2 4.18Å; P452-L559 HydrophobicContact CB-CD2 4.14Å
453R95.8Very high95.5Very high12 Ų124.8 Ų4.85%0.0453%0.025CC..Hα-helixtrans-58-35.6175.3-170.1-179.3176.4-171.6-3.2113.5E256 N451 P457 N460 D482 L483E256-R453 HydrophobicContact CG-CG 3.98Å; E256-R453 VanDerWaalsContact OE1-CG 3.32Å; E256-R453 WeakPolarHBondContact OE1-CG 3.42Å; E256-R453 IonicContact OE1-CZ 3.18Å; E256-R453 IonicContact OE1-NE 2.79Å; E256-R453 PolarHBondContact OE1-NE 3.42Å; E256-R453 IonicContact OE1-NH2 3.91Å; E256-R453 IonicContact OE2-CZ 2.73Å; E256-R453 VanDerWaalsContact OE2-CZ 3.3Å; E256-R453 IonicContact OE2-NE 3.49Å; E256-R453 PolarHBondContact OE2-NE 3.05Å; E256-R453 IonicContact OE2-NH2 3.27Å; E256-R453 PolarHBondContact OE2-NH2 2.73Å; N451-R453 PolarHBondContact O-N 2.95Å; N451-R453 WeakPolarHBondContact OD1-CB 3.43Å; R453-P457 WeakPolarHBondContact O-CA 3.42Å; R453-P457 WeakPolarHBondContact O-CB 3.46Å; R453-P457 WeakPolarHBondContact O-CG 3.47Å; R453-N460 HydrophobicContact CB-CB 4.3Å; R453-D482 WeakPolarHBondContact CD-O 3.43Å; R453-D482 IonicContact CZ-OD2 2.69Å; R453-D482 PolarHBondContact NH1-O 3.42Å; R453-D482 IonicContact NH1-OD1 2.69Å; R453-D482 IonicContact NH1-OD2 3.77Å; R453-D482 PolarHBondContact NH1-OD2 3.05Å; R453-L483 HydrophobicContact CB-CD2 4.24Å
454F95Very high95.6Very high9 Ų93.2 Ų3.24%0.0392%0.015CC..Hα-helixtrans-110.5-22.6-178.4-59-31000113.5E256 N451 P452 L737 L740 Y743E256-F454 HydrophobicContact CB-CD1 4.37Å; E256-F454 HydrophobicContact CB-CE1 4.39Å; N451-F454 WeakPolarHBondContact ND2-CD2 3.45Å; N451-F454 PolarHBondContact O-N 3.09Å; P452-F454 VanDerWaalsContact C-N 3.27Å; P452-F454 PolarHBondContact O-N 3.35Å; F454-L737 HydrophobicContact CB-CB 3.83Å; F454-L737 HydrophobicContact CB-CD1 4.01Å; F454-L737 HydrophobicContact CD2-CB 4.26Å; F454-L740 HydrophobicContact CE1-CD1 3.75Å; F454-L740 HydrophobicContact CZ-CB 4.28Å; F454-L740 HydrophobicContact CZ-CD1 4.31Å; F454-Y743 HydrophobicContact CB-CD2 3.84Å; F454-Y743 HydrophobicContact CB-CG 4.3Å; F454-Y743 AromaticContact CD1-CD2 3.97Å; F454-Y743 HydrophobicContact CD1-CD2 3.97Å; F454-Y743 AromaticContact CD1-CG 3.84Å; F454-Y743 HydrophobicContact CD1-CG 3.84Å; F454-Y743 HydrophobicContact CG-CD2 4.22Å; F454-Y743 HydrophobicContact CG-CG 4.23Å; F454-Y743 WeakPolarHBondContact O-CD2 3.42Å
455E93.7Very high95.6Very high4 Ų45.6 Ų5.62%0.0193%0.026CC..Hα-helixtrans-76.7-40.5172.9-72.6165.7-143.200112.7T450 N451 L559 R561 L737T450-E455 WeakPolarHBondContact CA-OE1 3.48Å; T450-E455 WeakPolarHBondContact CB-OE2 3.25Å; T450-E455 VanDerWaalsContact OG1-CD 3.27Å; T450-E455 PolarHBondContact OG1-OE2 2.93Å; N451-E455 PolarHBondContact N-OE1 2.85Å; N451-E455 PolarHBondContact O-N 3.19Å; E455-L559 HydrophobicContact CB-CD2 4.43Å; E455-R561 HydrophobicContact CB-CB 4.49Å; E455-L737 HydrophobicContact CG-CD1 4.43Å
456A95.3Very high95.5Very high0 Ų05.7 Ų5.70%03%0.026CC..  trans-151.175.9178.800000110.6P452 L458 L459 N460 L559P452-A456 CarbonylContact O-C 3.55Å; P452-A456 WeakPolarHBondContact O-CA 3.29Å; P452-A456 PolarHBondContact O-N 3.43Å; A456-L458 PolarHBondContact O-N 3.27Å; A456-L459 HydrophobicContact CB-CB 3.94Å; A456-L459 WeakPolarHBondContact O-CA 3.48Å; A456-L459 VanDerWaalsContact O-CB 3.23Å; A456-L459 WeakPolarHBondContact O-CB 3.21Å; A456-L459 PolarHBondContact O-N 3.2Å; A456-N460 PolarHBondContact O-N 3.11Å; A456-L559 HydrophobicContact CB-CD1 3.92Å; A456-L559 HydrophobicContact CB-CD2 4.24Å
457P96.4Very high95.5Very high2 Ų29.5 Ų9.51%0.0134%0.04CC..Hα-helixtrans-52-34.2-169.3-26.331.5000115E256 L257 A326 R453 N460 A461 Y743E256-P457 HydrophobicContact CB-CB 4.48Å; E256-P457 HydrophobicContact CG-CB 3.96Å; E256-P457 HydrophobicContact CG-CG 4.47Å; L257-P457 HydrophobicContact CD2-CB 4.22Å; L257-P457 HydrophobicContact CG-CB 4.35Å; A326-P457 HydrophobicContact CB-CB 4.22Å; A326-P457 HydrophobicContact CB-CG 3.97Å; R453-P457 WeakPolarHBondContact O-CA 3.42Å; R453-P457 WeakPolarHBondContact O-CB 3.46Å; R453-P457 WeakPolarHBondContact O-CG 3.47Å; P457-N460 WeakPolarHBondContact O-CB 3.3Å; P457-N460 PolarHBondContact O-N 3.5Å; P457-A461 PolarHBondContact O-N 3.48Å; P457-Y743 HydrophobicContact CG-CE2 3.62Å
458L96.1Very high95.3Very high4 Ų412.6 Ų12.62%0.0216%0.056CC..Hα-helixtrans-72.9-27.9179.9-65.2164.6000112.8L257 L296 A298 N321 W324 A456 A461 R462L257-L458 HydrophobicContact CD2-CD2 3.93Å; L257-L458 HydrophobicContact CD2-CG 4.49Å; L296-L458 HydrophobicContact CD2-CB 3.46Å; L296-L458 VanDerWaalsContact CD2-CB 3.46Å; L296-L458 HydrophobicContact CD2-CD1 4.29Å; A298-L458 HydrophobicContact CB-CD1 3.66Å; N321-L458 HydrophobicContact CB-CD1 3.87Å; N321-L458 HydrophobicContact CB-CD2 4.43Å; W324-L458 HydrophobicContact CB-CD2 3.46Å; W324-L458 VanDerWaalsContact CB-CD2 3.46Å; A456-L458 PolarHBondContact O-N 3.27Å; L458-A461 PolarHBondContact O-N 2.89Å; L458-R462 PolarHBondContact O-N 2.7Å
459L96.1Very high95.2Very high0 Ų019.1 Ų19.10%09%0.087CC..Hα-helixtrans-68.6-40.6168.6-162.178.2000110.3L296 F432 I436 I439 A456 A461 R462 L463 L559L296-L459 HydrophobicContact CD1-CB 4.42Å; L296-L459 HydrophobicContact CD1-CD1 4.09Å; F432-L459 HydrophobicContact CE2-CD2 4.03Å; F432-L459 HydrophobicContact CZ-CD1 4.32Å; F432-L459 HydrophobicContact CZ-CD2 4.41Å; I436-L459 HydrophobicContact CG1-CD1 4.38Å; I436-L459 HydrophobicContact CG2-CD1 4.16Å; I439-L459 HydrophobicContact CD1-CD1 3.52Å; I439-L459 HydrophobicContact CD1-CG 4.03Å; A456-L459 HydrophobicContact CB-CB 3.94Å; A456-L459 WeakPolarHBondContact O-CA 3.48Å; A456-L459 VanDerWaalsContact O-CB 3.23Å; A456-L459 WeakPolarHBondContact O-CB 3.21Å; A456-L459 PolarHBondContact O-N 3.2Å; L459-A461 VanDerWaalsContact C-N 3.3Å; L459-A461 PolarHBondContact O-N 3.28Å; L459-R462 PolarHBondContact O-N 2.56Å; L459-R462 VanDerWaalsContact O-N 3.12Å; L459-L463 WeakPolarHBondContact O-CG 3.38Å; L459-L463 PolarHBondContact O-N 3.27Å; L459-L559 HydrophobicContact CD2-CD1 3.82Å; L459-L559 HydrophobicContact CD2-CD2 3.77Å; L459-L559 HydrophobicContact CD2-CG 4.38Å
460N96.9Very high95.2Very high2 Ų223.1 Ų23.11%0.01111%0.108CC..Hα-helixtrans-64.4-35175.7-161.265.2000112.3R453 A456 P457 R462 L463 R464 L483 Y485R453-N460 HydrophobicContact CB-CB 4.3Å; A456-N460 PolarHBondContact O-N 3.11Å; P457-N460 WeakPolarHBondContact O-CB 3.3Å; P457-N460 PolarHBondContact O-N 3.5Å; N460-R462 VanDerWaalsContact C-N 3.33Å; N460-R462 PolarHBondContact O-N 3.42Å; N460-L463 PolarHBondContact O-N 3.25Å; N460-R464 WeakPolarHBondContact O-CB 3.44Å; N460-R464 PolarHBondContact O-N 3.4Å; N460-L483 PolarHBondContact ND2-O 1.86Å; N460-Y485 VanDerWaalsContact OD1-CE1 3.31Å; N460-Y485 WeakPolarHBondContact OD1-CE1 3.36Å; N460-Y485 PolarHBondContact OD1-OH 2.91Å
461A96Very high95Very high7 Ų730.4 Ų30.46%0.05815%0.147CC..Hα-helixtrans-60.8-39.2171.100000112.4I228 L257 P457 L458 L459 R464 K465I228-A461 HydrophobicContact CG2-CB 4.15Å; L257-A461 HydrophobicContact CD1-CB 3.88Å; P457-A461 PolarHBondContact O-N 3.48Å; L458-A461 PolarHBondContact O-N 2.89Å; L459-A461 VanDerWaalsContact C-N 3.3Å; L459-A461 PolarHBondContact O-N 3.28Å; A461-R464 PolarHBondContact O-N 3.22Å; A461-K465 WeakPolarHBondContact O-CB 3.31Å; A461-K465 PolarHBondContact O-N 3.25Å
462R95.4Very high94.9Very high6 Ų630.5 Ų30.52%0.02315%0.147CC..Hα-helixtrans-69.7-43.3173.4-69.9-159.2-167.7-124.49.3113E318 D319 V320 E440 L458 L459 N460 R464 K465 C466E318-R462 PolarHBondContact O-NH1 3Å; E318-R462 VanDerWaalsContact O-NH1 3.13Å; E318-R462 PolarHBondContact O-NH2 3.42Å; D319-R462 VanDerWaalsContact C-NH2 3.33Å; V320-R462 VanDerWaalsContact C-NH2 3.28Å; V320-R462 PolarHBondContact O-NE 3.27Å; V320-R462 PolarHBondContact O-NH2 3.35Å; E440-R462 IonicContact OE1-CZ 2.74Å; E440-R462 IonicContact OE1-NH1 2.73Å; E440-R462 PolarHBondContact OE1-NH1 3.43Å; L458-R462 PolarHBondContact O-N 2.7Å; L459-R462 PolarHBondContact O-N 2.56Å; L459-R462 VanDerWaalsContact O-N 3.12Å; N460-R462 VanDerWaalsContact C-N 3.33Å; N460-R462 PolarHBondContact O-N 3.42Å; R462-R464 PolarHBondContact O-N 2.96Å; R462-K465 WeakPolarHBondContact O-CB 3.41Å; R462-K465 PolarHBondContact O-N 2.82Å; R462-K465 VanDerWaalsContact O-N 3.16Å; R462-C466 PolarHBondContact O-N 3.14Å; R462-C466 PolarHBondContact O-SG 2.53Å
463L96.3Very high94.9Very high0 Ų033.8 Ų33.80%016%0.163CC..Hα-helixtrans-54.9-43.8173.4-68.8171.3000110.6I439 I445 L447 P452 L459 N460 C466 W467 I474 Y485I439-L463 HydrophobicContact CG2-CD2 3.86Å; I445-L463 HydrophobicContact CD1-CD2 3.45Å; I445-L463 VanDerWaalsContact CD1-CD2 3.45Å; I445-L463 HydrophobicContact CG2-CD2 4.22Å; L447-L463 HydrophobicContact CD2-CD1 4.32Å; P452-L463 HydrophobicContact CB-CD1 4.3Å; P452-L463 HydrophobicContact CG-CD1 4.09Å; L459-L463 WeakPolarHBondContact O-CG 3.38Å; L459-L463 PolarHBondContact O-N 3.27Å; N460-L463 PolarHBondContact O-N 3.25Å; L463-C466 PolarHBondContact O-N 2.94Å; L463-W467 WeakPolarHBondContact O-CB 3.33Å; L463-W467 PolarHBondContact O-N 3.24Å; L463-I474 HydrophobicContact CB-CD1 4.34Å; L463-Y485 HydrophobicContact CB-CE1 4.04Å; L463-Y485 WeakPolarHBondContact CD1-OH 3.26Å
464R96.1Very high94.9Very high19 Ų1933.5 Ų33.57%0.07216%0.162CC..Hα-helixtrans-63-47.9174.1-170.6-178.6179.97412.1113.2N226 E227 I228 G230 N460 A461 R462 C466 W467 I468 T484 Y485N226-R464 PolarHBondContact O-NH2 3.21Å; E227-R464 WeakPolarHBondContact O-CD 3.23Å; E227-R464 PolarHBondContact O-NE 3.42Å; I228-R464 WeakPolarHBondContact O-CD 3.41Å; G230-R464 VanDerWaalsContact CA-NE 3.3Å; N460-R464 WeakPolarHBondContact O-CB 3.44Å; N460-R464 PolarHBondContact O-N 3.4Å; A461-R464 PolarHBondContact O-N 3.22Å; R462-R464 PolarHBondContact O-N 2.96Å; R464-C466 VanDerWaalsContact C-N 3.26Å; R464-C466 PolarHBondContact O-N 2.93Å; R464-W467 PolarHBondContact O-N 3.48Å; R464-I468 HydrophobicContact CG-CD1 4.17Å; R464-I468 WeakPolarHBondContact O-CG1 3.33Å; R464-I468 PolarHBondContact O-N 3.31Å; R464-T484 PolarHBondContact NH1-O 2.98Å; R464-T484 PolarHBondContact NH1-OG1 3.5Å; R464-Y485 HydrophobicContact CB-CD1 3.77Å; R464-Y485 HydrophobicContact CB-CE1 4.2Å; R464-Y485 HydrophobicContact CG-CD1 4.12Å
465K95.1Very high95Very high50 Ų5033 Ų3322%0.21716%0.16CC..Hα-helixtrans-53-45.7176173.8-171.2168.2-170.70110.8E322 E440 A461 R462 I468 H469E322-K465 IonicContact OE1-NZ 2.69Å; E322-K465 PolarHBondContact OE1-NZ 3.29Å; E440-K465 IonicContact OE1-NZ 3.17Å; E440-K465 PolarHBondContact OE1-NZ 2.95Å; E440-K465 WeakPolarHBondContact OE2-CE 3.09Å; E440-K465 IonicContact OE2-NZ 3.71Å; E440-K465 PolarHBondContact OE2-NZ 3.47Å; A461-K465 WeakPolarHBondContact O-CB 3.31Å; A461-K465 PolarHBondContact O-N 3.25Å; R462-K465 WeakPolarHBondContact O-CB 3.41Å; R462-K465 PolarHBondContact O-N 2.82Å; R462-K465 VanDerWaalsContact O-N 3.16Å; K465-I468 PolarHBondContact O-N 3.39Å; K465-H469 WeakPolarHBondContact O-CB 3.27Å; K465-H469 PolarHBondContact O-CD2 3.33Å; K465-H469 PolarHBondContact O-N 2.88Å; K465-H469 VanDerWaalsContact O-N 3.12Å
466C94.6Very high95.1Very high2 Ų232.9 Ų32.91%0.01416%0.159CC..Hα-helixtrans-70-38.5179.4-57.40000112.3R462 L463 R464 I468 H469 N470 L472R462-C466 PolarHBondContact O-N 3.14Å; R462-C466 PolarHBondContact O-SG 2.53Å; L463-C466 PolarHBondContact O-N 2.94Å; R464-C466 VanDerWaalsContact C-N 3.26Å; R464-C466 PolarHBondContact O-N 2.93Å; C466-I468 VanDerWaalsContact C-N 3.31Å; C466-I468 PolarHBondContact O-N 2.96Å; C466-H469 PolarHBondContact O-N 3.06Å; C466-N470 WeakPolarHBondContact O-CA 3.5Å; C466-N470 WeakPolarHBondContact O-CB 3.45Å; C466-N470 PolarHBondContact O-N 3.1Å; C466-L472 HydrophobicContact CB-CB 4.25Å; C466-L472 HydrophobicContact CB-CD2 3.55Å
467W96Very high95.1Very high79 Ų7932.9 Ų32.930%0.29916%0.159SC..Hα-helixtrans-62-34.9173.3-178.783.9000113L463 R464 I474 D486L463-W467 WeakPolarHBondContact O-CB 3.33Å; L463-W467 PolarHBondContact O-N 3.24Å; R464-W467 PolarHBondContact O-N 3.48Å; W467-I474 HydrophobicContact CB-CD1 4.46Å; W467-D486 HydrophobicContact CZ2-CB 3.88Å; W467-D486 PolarHBondContact NE1-O 2.93Å
468I94Very high94.9Very high65 Ų6532.8 Ų32.833%0.33316%0.159SC..Hα-helixtrans-77.4-31.9177.1-67.4179.6000113.1E227 R464 K465 C466E227-I468 WeakPolarHBondContact O-CD1 2.92Å; R464-I468 HydrophobicContact CG-CD1 4.17Å; R464-I468 WeakPolarHBondContact O-CG1 3.33Å; R464-I468 PolarHBondContact O-N 3.31Å; K465-I468 PolarHBondContact O-N 3.39Å; C466-I468 VanDerWaalsContact C-N 3.31Å; C466-I468 PolarHBondContact O-N 2.96Å
469H92.7Very high94.8Very high138 Ų13833.8 Ų33.864%0.63917%0.165SC*.Hα-helixtrans-107.8-27.3-169.1-69-53.4000115.4K465 C466K465-H469 WeakPolarHBondContact O-CB 3.27Å; K465-H469 PolarHBondContact O-CD2 3.33Å; K465-H469 PolarHBondContact O-N 2.88Å; K465-H469 VanDerWaalsContact O-N 3.12Å; C466-H469 PolarHBondContact O-N 3.06Å
470N91.9Very high94.6Very high83 Ų8342 Ų4244%0.44420%0.201SC..SBendtrans-122.79.5-167.5-57.93.1000113.1E440 C466 L472E440-N470 PolarHBondContact O-ND2 3.1Å; C466-N470 WeakPolarHBondContact O-CA 3.5Å; C466-N470 WeakPolarHBondContact O-CB 3.45Å; C466-N470 PolarHBondContact O-N 3.1Å; N470-L472 PolarHBondContact O-N 3.41Å
471D90Very high94.4Very high154 Ų15442.3 Ų42.382%0.82420%0.203SC*.  trans52.133.1-175.1-66-34.3000114.1E473D471-E473 PolarHBondContact O-N 2.85Å
472L93.5Very high94.3Very high4 Ų446.7 Ų46.72%0.02123%0.226CC..  trans-56.6124.2-175.316765.4000113.4A442 I445 C466 N470 I474A442-L472 HydrophobicContact CB-CD1 4.32Å; I445-L472 HydrophobicContact CB-CD1 4.34Å; I445-L472 HydrophobicContact CD1-CD1 4.12Å; I445-L472 HydrophobicContact CD1-CD2 4.03Å; I445-L472 HydrophobicContact CG1-CD1 3.97Å; C466-L472 HydrophobicContact CB-CB 4.25Å; C466-L472 HydrophobicContact CB-CD2 3.55Å; N470-L472 PolarHBondContact O-N 3.41Å; L472-I474 HydrophobicContact CD2-CD1 3.88Å; L472-I474 HydrophobicContact CD2-CG1 3.94Å; L472-I474 HydrophobicContact CG-CD1 4.23Å; L472-I474 HydrophobicContact CG-CG1 3.79Å; L472-I474 PolarHBondContact O-N 2.97Å
473E95.2Very high94.3Very high69 Ų6946.5 Ų46.532%0.32223%0.225SC..EExtended strand (participates in β ladder)trans-83.6108.7177.8-177.5168-109.200111.8D443 L444 I445 D471 R510D443-E473 WeakPolarHBondContact O-CB 3.41Å; D443-E473 PolarHBondContact O-N 2.71Å; D443-E473 VanDerWaalsContact O-N 3.07Å; L444-E473 CarbonylContact C-O 3.55Å; L444-E473 VanDerWaalsContact CA-O 3.29Å; L444-E473 WeakPolarHBondContact CA-O 3.38Å; L444-E473 HydrophobicContact CB-CB 4.48Å; L444-E473 VanDerWaalsContact CD1-OE2 3.31Å; L444-E473 WeakPolarHBondContact CD1-OE2 3.41Å; L444-E473 HydrophobicContact CG-CB 4.24Å; L444-E473 HydrophobicContact CG-CG 4.17Å; I445-E473 PolarHBondContact N-O 3.14Å; D471-E473 PolarHBondContact O-N 2.85Å; E473-R510 IonicContact OE1-CZ 3.44Å; E473-R510 VanDerWaalsContact OE1-CZ 3.27Å; E473-R510 IonicContact OE1-NE 2.68Å; E473-R510 PolarHBondContact OE1-NE 2.84Å; E473-R510 IonicContact OE1-NH2 2.76Å; E473-R510 PolarHBondContact OE1-NH2 3.39Å; E473-R510 IonicContact OE2-CZ 3.34Å; E473-R510 IonicContact OE2-NE 3.95Å; E473-R510 PolarHBondContact OE2-NE 3.3Å; E473-R510 IonicContact OE2-NH2 2.75Å; E473-R510 PolarHBondContact OE2-NH2 3.48Å
474I96.3Very high94.2Very high6 Ų647.5 Ų47.53%0.03123%0.231CC..EExtended strand (participates in β ladder)trans-105.8129.6-179-53.3178.4000111.2I445 L447 L463 W467 L472 Y485 Y487 E488I445-I474 WeakPolarHBondContact O-CA 3.29Å; L447-I474 HydrophobicContact CD1-CG2 3.95Å; L447-I474 HydrophobicContact CG-CG2 4.21Å; L463-I474 HydrophobicContact CB-CD1 4.34Å; W467-I474 HydrophobicContact CB-CD1 4.46Å; L472-I474 HydrophobicContact CD2-CD1 3.88Å; L472-I474 HydrophobicContact CD2-CG1 3.94Å; L472-I474 HydrophobicContact CG-CD1 4.23Å; L472-I474 HydrophobicContact CG-CG1 3.79Å; L472-I474 PolarHBondContact O-N 2.97Å; I474-Y485 HydrophobicContact CB-CE2 4.49Å; I474-Y485 HydrophobicContact CD1-CD2 3.73Å; I474-Y485 HydrophobicContact CD1-CE2 3.38Å; I474-Y485 HydrophobicContact CG1-CE2 4.49Å; I474-Y485 HydrophobicContact CG2-CE2 4.18Å; I474-Y487 CarbonylContact O-C 3.57Å; I474-Y487 WeakPolarHBondContact O-CA 3.48Å; I474-Y487 WeakPolarHBondContact O-CB 3.4Å; I474-E488 PolarHBondContact O-N 3.06Å
475C96.4Very high94.1Very high0 Ų047 Ų470%023%0.23CC..EExtended strand (participates in β ladder)trans-121.1137.6175.5-61.50000110.8I445 L446 L447 E488 L490 L507I445-C475 PolarHBondContact O-N 2.78Å; L446-C475 HydrophobicContact CD1-CB 4.07Å; L447-C475 PolarHBondContact N-O 2.82Å; C475-E488 CarbonylContact C-O 3.57Å; C475-E488 WeakPolarHBondContact CA-O 3.43Å; C475-L490 HydrophobicContact CB-CD1 4.01Å; C475-L490 HydrophobicContact CB-CD2 4.48Å; C475-L490 HydrophobicContact CB-CG 4.32Å; C475-L507 HydrophobicContact CB-CD2 4.2Å
476L96.4Very high94.1Very high1 Ų150.6 Ų50.61%0.00525%0.251CS..EExtended strand (participates in β ladder)trans-120.6123.2179.5179.365.6000111.9L447 V481 L483 Y487 E488 L490L447-L476 HydrophobicContact CB-CD1 3.63Å; L447-L476 HydrophobicContact CD1-CD1 4.32Å; L476-V481 HydrophobicContact CD2-CG2 3.94Å; L476-L483 HydrophobicContact CD2-CD1 4.46Å; L476-Y487 HydrophobicContact CB-CD2 3.57Å; L476-Y487 HydrophobicContact CB-CE2 3.7Å; L476-Y487 HydrophobicContact CB-CG 4.42Å; L476-Y487 HydrophobicContact CD2-CD2 4.24Å; L476-Y487 HydrophobicContact CD2-CE2 3.57Å; L476-Y487 HydrophobicContact CG-CE2 4.24Å; L476-E488 PolarHBondContact N-O 3.15Å; L476-L490 WeakPolarHBondContact O-CB 3.44Å; L476-L490 PolarHBondContact O-N 3.01Å
477L95Very high94.2Very high0 Ų052.9 Ų52.90%026%0.26CS..EExtended strand (participates in β ladder)trans-105.6107.9166.117858000109.5L447 I448 G449 L490 G491 T496 L497 L500 I733L447-L477 PolarHBondContact O-N 2.92Å; I448-L477 HydrophobicContact CG2-CD2 4.41Å; G449-L477 PolarHBondContact N-O 3.37Å; L477-L490 HydrophobicContact CB-CB 4.34Å; L477-L490 HydrophobicContact CB-CD1 4.22Å; L477-L490 HydrophobicContact CD1-CB 4.3Å; L477-G491 WeakPolarHBondContact CD1-O 3.29Å; L477-T496 HydrophobicContact CD1-CG2 4.01Å; L477-T496 HydrophobicContact CD2-CG2 4.49Å; L477-L497 HydrophobicContact CD2-CB 3.88Å; L477-L500 HydrophobicContact CD2-CD1 4.31Å; L477-I733 HydrophobicContact CG-CD1 4.02Å
478G93.4Very high94.2Very high0 Ų052.7 Ų52.70%026%0.262CS..SBendtrans158.9-171.5-172.100000112.9H489 G491 D492G478-H489 PolarHBondContact O-NE2 3.44Å; G478-G491 PolarHBondContact N-O 3.38Å; G478-G491 CarbonylContact O-C 3.55Å; G478-D492 WeakPolarHBondContact O-CA 3.45Å
479P92.4Very high94.3Very high25 Ų2553.2 Ų53.216%0.16226%0.263CS..SBendtrans-64.6147.317229.8-34.2000110.4V481 L735 L738P479-V481 PolarHBondContact O-N 3.02Å; P479-L735 HydrophobicContact CG-CB 4.28Å; P479-L735 HydrophobicContact CG-CD1 3.72Å; P479-L735 HydrophobicContact CG-CG 3.73Å; P479-L738 HydrophobicContact CB-CD2 4.24Å; P479-L738 HydrophobicContact CG-CD2 3.96Å
480K92.5Very high94.3Very high171 Ų17147.4 Ų47.474%0.74324%0.236SC*.  trans-72.3111.5179.1-172176.8-178.4174.10110.3
481V93.7Very high94.3Very high10 Ų1044.5 Ų44.56%0.06123%0.227CC..  trans-120.6159.6-179.5-67.50000111.4N451 L476 P479 L483 Y487 L738N451-V481 HydrophobicContact CB-CG2 4.44Å; L476-V481 HydrophobicContact CD2-CG2 3.94Å; P479-V481 PolarHBondContact O-N 3.02Å; V481-L483 HydrophobicContact CG2-CD2 3.78Å; V481-L483 HydrophobicContact CG2-CG 4.14Å; V481-Y487 PolarHBondContact N-OH 3.34Å; V481-Y487 WeakPolarHBondContact O-CE1 3.36Å; V481-Y487 PolarHBondContact O-OH 3.42Å; V481-L738 HydrophobicContact CG1-CD2 4Å
482D93.9Very high94.3Very high99 Ų9940.1 Ų40.153%0.52920%0.203SC..  trans-86.5110.6172.6172.722.6000110.3R453 T484R453-D482 WeakPolarHBondContact CD-O 3.43Å; R453-D482 IonicContact CZ-OD2 2.69Å; R453-D482 PolarHBondContact NH1-O 3.42Å; R453-D482 IonicContact NH1-OD1 2.69Å; R453-D482 IonicContact NH1-OD2 3.77Å; R453-D482 PolarHBondContact NH1-OD2 3.05Å; D482-T484 WeakPolarHBondContact OD1-CA 3.41Å; D482-T484 PolarHBondContact OD1-N 2.46Å
483L94.4Very high94.1Very high1 Ų144.7 Ų44.71%0.00522%0.224CC..  trans-95.82.4177.1-59.8-179.2000113.3L447 N451 P452 R453 N460 L476 V481 Y485 Y487L447-L483 HydrophobicContact CD1-CD1 3.77Å; N451-L483 WeakPolarHBondContact OD1-CD2 3.49Å; P452-L483 HydrophobicContact CG-CD2 4.18Å; R453-L483 HydrophobicContact CB-CD2 4.24Å; N460-L483 PolarHBondContact ND2-O 1.86Å; L476-L483 HydrophobicContact CD2-CD1 4.46Å; V481-L483 HydrophobicContact CG2-CD2 3.78Å; V481-L483 HydrophobicContact CG2-CG 4.14Å; L483-Y485 HydrophobicContact CB-CD2 4.28Å; L483-Y485 HydrophobicContact CB-CE1 4.09Å; L483-Y485 HydrophobicContact CB-CE2 3.76Å; L483-Y485 HydrophobicContact CD1-CE2 3.94Å; L483-Y485 VanDerWaalsContact O-CD1 3.23Å; L483-Y485 WeakPolarHBondContact O-CD1 3.17Å; L483-Y485 WeakPolarHBondContact O-CE1 3.36Å; L483-Y485 PolarHBondContact O-N 3.49Å; L483-Y487 HydrophobicContact CB-CD1 4.35Å; L483-Y487 HydrophobicContact CB-CE1 4.36Å; L483-Y487 HydrophobicContact CD1-CD1 3.85Å; L483-Y487 HydrophobicContact CD1-CE1 4.01Å; L483-Y487 HydrophobicContact CD1-CG 4.39Å; L483-Y487 HydrophobicContact CG-CD1 4.23Å; L483-Y487 HydrophobicContact CG-CE1 4.02Å
484T94.5Very high93.7Very high22 Ų2241.4 Ų41.414%0.13521%0.209CC..SBendtrans74.3-19.4-170.780.30000116.7R464 D482R464-T484 PolarHBondContact NH1-O 2.98Å; R464-T484 PolarHBondContact NH1-OG1 3.5Å; D482-T484 WeakPolarHBondContact OD1-CA 3.41Å; D482-T484 PolarHBondContact OD1-N 2.46Å
485Y94.9Very high93.3Very high9 Ų946 Ų464%0.03523%0.23CC..SBendtrans-120.6161178.449.1-101.3000111N460 L463 R464 I474 L483N460-Y485 VanDerWaalsContact OD1-CE1 3.31Å; N460-Y485 WeakPolarHBondContact OD1-CE1 3.36Å; N460-Y485 PolarHBondContact OD1-OH 2.91Å; L463-Y485 HydrophobicContact CB-CE1 4.04Å; L463-Y485 WeakPolarHBondContact CD1-OH 3.26Å; R464-Y485 HydrophobicContact CB-CD1 3.77Å; R464-Y485 HydrophobicContact CB-CE1 4.2Å; R464-Y485 HydrophobicContact CG-CD1 4.12Å; I474-Y485 HydrophobicContact CB-CE2 4.49Å; I474-Y485 HydrophobicContact CD1-CD2 3.73Å; I474-Y485 HydrophobicContact CD1-CE2 3.38Å; I474-Y485 HydrophobicContact CG1-CE2 4.49Å; I474-Y485 HydrophobicContact CG2-CE2 4.18Å; L483-Y485 HydrophobicContact CB-CD2 4.28Å; L483-Y485 HydrophobicContact CB-CE1 4.09Å; L483-Y485 HydrophobicContact CB-CE2 3.76Å; L483-Y485 HydrophobicContact CD1-CE2 3.94Å; L483-Y485 VanDerWaalsContact O-CD1 3.23Å; L483-Y485 WeakPolarHBondContact O-CD1 3.17Å; L483-Y485 WeakPolarHBondContact O-CE1 3.36Å; L483-Y485 PolarHBondContact O-N 3.49Å
486D95Very high93Very high125 Ų12547 Ų4767%0.66824%0.237SC*.  trans-73.1141.8179.3-66.3-48.5000111.8W467W467-D486 HydrophobicContact CZ2-CB 3.88Å; W467-D486 PolarHBondContact NE1-O 2.93Å
487Y96.1Very high92.7Very high49 Ų4947 Ų4719%0.19224%0.236CC..  trans-149.4155.6178.765.2-95.4000111.6I474 L476 V481 L483 H489I474-Y487 CarbonylContact O-C 3.57Å; I474-Y487 WeakPolarHBondContact O-CA 3.48Å; I474-Y487 WeakPolarHBondContact O-CB 3.4Å; L476-Y487 HydrophobicContact CB-CD2 3.57Å; L476-Y487 HydrophobicContact CB-CE2 3.7Å; L476-Y487 HydrophobicContact CB-CG 4.42Å; L476-Y487 HydrophobicContact CD2-CD2 4.24Å; L476-Y487 HydrophobicContact CD2-CE2 3.57Å; L476-Y487 HydrophobicContact CG-CE2 4.24Å; V481-Y487 PolarHBondContact N-OH 3.34Å; V481-Y487 WeakPolarHBondContact O-CE1 3.36Å; V481-Y487 PolarHBondContact O-OH 3.42Å; L483-Y487 HydrophobicContact CB-CD1 4.35Å; L483-Y487 HydrophobicContact CB-CE1 4.36Å; L483-Y487 HydrophobicContact CD1-CD1 3.85Å; L483-Y487 HydrophobicContact CD1-CE1 4.01Å; L483-Y487 HydrophobicContact CD1-CG 4.39Å; L483-Y487 HydrophobicContact CG-CD1 4.23Å; L483-Y487 HydrophobicContact CG-CE1 4.02Å; Y487-H489 HydrophobicContact CD2-CB 4.48Å; Y487-H489 HydrophobicContact CE2-CB 3.99Å
488E95.9Very high92.3Very high75 Ų7550.8 Ų50.835%0.3525%0.254SS..EExtended strand (participates in β ladder)trans-81.3118.8172.2-175.9171.8131.600110.7I474 C475 L476 L490 R510I474-E488 PolarHBondContact O-N 3.06Å; C475-E488 CarbonylContact C-O 3.57Å; C475-E488 WeakPolarHBondContact CA-O 3.43Å; L476-E488 PolarHBondContact N-O 3.15Å; E488-L490 HydrophobicContact CG-CD2 4.06Å; E488-R510 IonicContact OE1-CZ 3.25Å; E488-R510 IonicContact OE1-NH1 2.64Å; E488-R510 PolarHBondContact OE1-NH1 3.03Å; E488-R510 IonicContact OE2-CZ 2.84Å; E488-R510 IonicContact OE2-NH1 2.64Å; E488-R510 PolarHBondContact OE2-NH1 2.88Å; E488-R510 IonicContact OE2-NH2 3.9Å; E488-R510 PolarHBondContact OE2-NH2 2.91Å
489H95.9Very high92.1Very high76 Ų7652.3 Ų52.335%0.35227%0.265SS..EExtended strand (participates in β ladder)trans-87.4121.5176.8-173.8-130.3000111.3G478 Y487 G491G478-H489 PolarHBondContact O-NE2 3.44Å; Y487-H489 HydrophobicContact CD2-CB 4.48Å; Y487-H489 HydrophobicContact CE2-CB 3.99Å; H489-G491 PolarHBondContact NE2-O 3.41Å
490L93Very high92Very high16 Ų1651.3 Ų51.38%0.08426%0.258CS..  trans-96.310.4-175.1-52.9177.5000113.6L446 C475 L476 L477 E488 T496 L507L446-L490 HydrophobicContact CD1-CD1 3.51Å; C475-L490 HydrophobicContact CB-CD1 4.01Å; C475-L490 HydrophobicContact CB-CD2 4.48Å; C475-L490 HydrophobicContact CB-CG 4.32Å; L476-L490 WeakPolarHBondContact O-CB 3.44Å; L476-L490 PolarHBondContact O-N 3.01Å; L477-L490 HydrophobicContact CB-CB 4.34Å; L477-L490 HydrophobicContact CB-CD1 4.22Å; L477-L490 HydrophobicContact CD1-CB 4.3Å; E488-L490 HydrophobicContact CG-CD2 4.06Å; L490-T496 HydrophobicContact CB-CG2 4.15Å; L490-T496 PolarHBondContact O-OG1 2.84Å; L490-L507 HydrophobicContact CD1-CD2 3.71Å; L490-L507 HydrophobicContact CD2-CD2 4.31Å
491G91.5Very high91.7Very high23 Ų2343.3 Ų43.324%0.23722%0.224CC..  trans87-176.7-169.200000113.5L477 G478 H489L477-G491 WeakPolarHBondContact CD1-O 3.29Å; G478-G491 PolarHBondContact N-O 3.38Å; G478-G491 CarbonylContact O-C 3.55Å; H489-G491 PolarHBondContact NE2-O 3.41Å
492D90.5Very high91.3Very high62 Ų6245.6 Ų45.633%0.33224%0.244SC..SBendtrans-115.9-1.2-177.268.2-33.7000113.6G478 S732 I733G478-D492 WeakPolarHBondContact O-CA 3.45Å; D492-S732 WeakPolarHBondContact O-CA 3.17Å; D492-S732 WeakPolarHBondContact O-CB 3.48Å; D492-S732 WeakPolarHBondContact OD2-CB 3.35Å; D492-S732 PolarHBondContact OD2-OG 3.22Å; D492-I733 WeakPolarHBondContact O-CG1 3.22Å; D492-I733 PolarHBondContact O-N 3.24Å
493Q88.7Confident90.9Very high99 Ų9943.4 Ų43.446%0.46325%0.245SC..  trans-93.6143.9-174.3-66.3-178.8-3000113.2E495 T496Q493-E495 PolarHBondContact O-N 3.19Å; Q493-T496 PolarHBondContact O-N 3.43Å
494L87.5Confident90.6Very high1 Ų151.9 Ų51.91%0.00528%0.282CS..Hα-helixtrans-69.8-12.4177.2-68.1174.8000113.7T496 L497 Q498 R528 I534 I733L494-T496 VanDerWaalsContact C-N 3.27Å; L494-T496 PolarHBondContact O-N 3.14Å; L494-L497 HydrophobicContact CD2-CD2 4.26Å; L494-L497 WeakPolarHBondContact O-CB 3.28Å; L494-L497 PolarHBondContact O-N 3.26Å; L494-L497 VanDerWaalsContact O-N 3.17Å; L494-Q498 PolarHBondContact O-N 3.35Å; L494-Q498 VanDerWaalsContact O-N 3.09Å; L494-R528 VanDerWaalsContact CD1-NH2 3.33Å; L494-I534 HydrophobicContact CD1-CD1 4.04Å; L494-I534 HydrophobicContact CD1-CG1 4.39Å; L494-I534 HydrophobicContact CD2-CD1 4.01Å; L494-I534 HydrophobicContact CD2-CG1 4.13Å; L494-I733 HydrophobicContact CD2-CD1 4.07Å; L494-I733 HydrophobicContact CD2-CG1 3.91Å; L494-I733 HydrophobicContact CG-CG1 4.37Å
495E88.2Confident90.3Very high101 Ų10152.8 Ų52.847%0.47228%0.284SS..Hα-helixtrans-59.6-37.7171.1-62.9-163.917800112.1Q493 L497 Q498 S499 T729Q493-E495 PolarHBondContact O-N 3.19Å; E495-L497 VanDerWaalsContact C-N 3.32Å; E495-L497 PolarHBondContact O-N 2.85Å; E495-Q498 PolarHBondContact O-N 3.37Å; E495-S499 WeakPolarHBondContact O-CB 3.48Å; E495-S499 PolarHBondContact O-N 2.95Å; E495-T729 HydrophobicContact CG-CG2 3.78Å
496T89.3Confident90.1Very high22 Ų2256.9 Ų56.914%0.13531%0.312CS..Hα-helixtrans-61.5-42.2175.2-55.10000110.7L477 L490 Q493 L494 Q498 S499 L500L477-T496 HydrophobicContact CD1-CG2 4.01Å; L477-T496 HydrophobicContact CD2-CG2 4.49Å; L490-T496 HydrophobicContact CB-CG2 4.15Å; L490-T496 PolarHBondContact O-OG1 2.84Å; Q493-T496 PolarHBondContact O-N 3.43Å; L494-T496 VanDerWaalsContact C-N 3.27Å; L494-T496 PolarHBondContact O-N 3.14Å; T496-Q498 PolarHBondContact O-N 3.4Å; T496-S499 PolarHBondContact O-N 3.04Å; T496-S499 VanDerWaalsContact O-N 3.17Å; T496-S499 PolarHBondContact O-OG 3.29Å; T496-L500 HydrophobicContact CG2-CD1 4.11Å; T496-L500 WeakPolarHBondContact O-CB 3.43Å; T496-L500 WeakPolarHBondContact O-CG 3.21Å; T496-L500 PolarHBondContact O-N 3.42Å
497L89.6Confident89.9Confident0 Ų051 Ų510%028%0.28CS..Hα-helixtrans-61.4-41.7175.5-177.861.1000112I448 L477 L494 E495 L500 A501 I534 A537 V538 I541 M727I448-L497 HydrophobicContact CD1-CD1 4.25Å; L477-L497 HydrophobicContact CD2-CB 3.88Å; L494-L497 HydrophobicContact CD2-CD2 4.26Å; L494-L497 WeakPolarHBondContact O-CB 3.28Å; L494-L497 PolarHBondContact O-N 3.26Å; L494-L497 VanDerWaalsContact O-N 3.17Å; E495-L497 VanDerWaalsContact C-N 3.32Å; E495-L497 PolarHBondContact O-N 2.85Å; L497-L500 PolarHBondContact O-N 3.12Å; L497-A501 VanDerWaalsContact O-CB 3.29Å; L497-A501 WeakPolarHBondContact O-CB 3.4Å; L497-A501 PolarHBondContact O-N 2.97Å; L497-I534 HydrophobicContact CD2-CB 4.43Å; L497-I534 HydrophobicContact CD2-CG1 4.49Å; L497-I534 HydrophobicContact CD2-CG2 3.96Å; L497-A537 HydrophobicContact CD2-CB 4.45Å; L497-A537 HydrophobicContact CG-CB 4.39Å; L497-V538 HydrophobicContact CD1-CG2 3.77Å; L497-V538 HydrophobicContact CD2-CG2 4.22Å; L497-I541 HydrophobicContact CD1-CD1 3.72Å; L497-M727 HydrophobicContact CD2-CE 3.84Å; L497-M727 HydrophobicContact CD2-SD 4.31Å; L497-M727 HydrophobicContact CG-CE 4.17Å
498Q87.3Confident89.6Confident81 Ų8149.3 Ų49.338%0.37928%0.275SS..Hα-helixtrans-64.6-40.9174-65.2-170.45.400112L494 E495 T496 L500 A501 A502 M727L494-Q498 PolarHBondContact O-N 3.35Å; L494-Q498 VanDerWaalsContact O-N 3.09Å; E495-Q498 PolarHBondContact O-N 3.37Å; T496-Q498 PolarHBondContact O-N 3.4Å; Q498-L500 VanDerWaalsContact C-N 3.35Å; Q498-A501 CarbonylContact O-C 3.24Å; Q498-A501 PolarHBondContact O-N 3.19Å; Q498-A502 WeakPolarHBondContact O-CB 3.2Å; Q498-A502 PolarHBondContact O-N 3.35Å; Q498-M727 HydrophobicContact CG-CE 4.34Å; Q498-M727 HydrophobicContact CG-SD 3.59Å; Q498-M727 VanDerWaalsContact CG-SD 3.59Å
499S89.1Confident89.3Confident32 Ų3254 Ų5422%0.22429%0.294CS..Hα-helixtrans-67.3-34.417983.70000112.8E495 T496 G503 K504 H505E495-S499 WeakPolarHBondContact O-CB 3.48Å; E495-S499 PolarHBondContact O-N 2.95Å; T496-S499 PolarHBondContact O-N 3.04Å; T496-S499 VanDerWaalsContact O-N 3.17Å; T496-S499 PolarHBondContact O-OG 3.29Å; S499-G503 PolarHBondContact O-N 2.94Å; S499-K504 PolarHBondContact O-N 3.32Å; S499-H505 PolarHBondContact O-N 2.87Å; S499-H505 VanDerWaalsContact O-N 3.16Å; S499-H505 PolarHBondContact OG-CD2 2.98Å
500L89.5Confident89.1Confident3 Ų353.5 Ų53.52%0.01629%0.289CS..Hα-helixtrans-64.2-57.3170-75.2161.6000109.8L446 L477 T496 L497 Q498 A502 G503 H505 L507 N508 I541L446-L500 HydrophobicContact CD2-CD1 4.36Å; L477-L500 HydrophobicContact CD2-CD1 4.31Å; T496-L500 HydrophobicContact CG2-CD1 4.11Å; T496-L500 WeakPolarHBondContact O-CB 3.43Å; T496-L500 WeakPolarHBondContact O-CG 3.21Å; T496-L500 PolarHBondContact O-N 3.42Å; L497-L500 PolarHBondContact O-N 3.12Å; Q498-L500 VanDerWaalsContact C-N 3.35Å; L500-A502 PolarHBondContact O-N 3.12Å; L500-G503 PolarHBondContact O-N 3.16Å; L500-H505 HydrophobicContact CD2-CB 3.73Å; L500-H505 HydrophobicContact CG-CB 3.92Å; L500-L507 HydrophobicContact CD2-CB 4.02Å; L500-L507 HydrophobicContact CD2-CD2 4.02Å; L500-L507 HydrophobicContact CD2-CG 4.39Å; L500-N508 PolarHBondContact O-ND2 3.12Å; L500-N508 PolarHBondContact O-OD1 3.38Å; L500-I541 HydrophobicContact CB-CD1 3.71Å; L500-I541 HydrophobicContact CB-CG1 4.45Å
501A86.3Confident88.9Confident4 Ų452.8 Ų52.83%0.03329%0.285CS..Hα-helixtrans-65.8-8.2-179.300000114.8L497 Q498 A537 R540 I541L497-A501 VanDerWaalsContact O-CB 3.29Å; L497-A501 WeakPolarHBondContact O-CB 3.4Å; L497-A501 PolarHBondContact O-N 2.97Å; Q498-A501 CarbonylContact O-C 3.24Å; Q498-A501 PolarHBondContact O-N 3.19Å; A501-A537 HydrophobicContact CB-CB 4.18Å; A501-R540 PolarHBondContact O-NE 2.99Å; A501-R540 PolarHBondContact O-NH2 3.17Å; A501-I541 HydrophobicContact CB-CD1 4.03Å; A501-I541 HydrophobicContact CB-CG1 3.79Å
502A85.7Confident88.8Confident58 Ų5854.6 Ų54.648%0.47929%0.29SS..THydrogen-bonded Turntrans-105.87.3172.600000113.5Q498 L500 K504Q498-A502 WeakPolarHBondContact O-CB 3.2Å; Q498-A502 PolarHBondContact O-N 3.35Å; L500-A502 PolarHBondContact O-N 3.12Å; A502-K504 PolarHBondContact O-N 3.3Å
503G84.9Confident88.8Confident53 Ų5355.7 Ų55.755%0.54630%0.302SS..THydrogen-bonded Turntrans76-2.2177.800000115.6S499 L500 N508S499-G503 PolarHBondContact O-N 2.94Å; L500-G503 PolarHBondContact O-N 3.16Å; G503-N508 VanDerWaalsContact CA-ND2 3.27Å; G503-N508 WeakPolarHBondContact CA-ND2 3.2Å; G503-N508 PolarHBondContact O-ND2 2.9Å
504K88.3Confident88.8Confident179 Ų17951.5 Ų51.578%0.77828%0.283SS*.  trans-83.8-29.1-170.3-64.5-177.2-178.6178.40114.6S499 A502S499-K504 PolarHBondContact O-N 3.32Å; A502-K504 PolarHBondContact O-N 3.3Å
505H89.5Confident88.9Confident41 Ų4154.2 Ų54.219%0.1930%0.302CS..SBendtrans-66.7140.6-176.3-160-104.9000112.4S499 L500 L507 N508S499-H505 PolarHBondContact O-N 2.87Å; S499-H505 VanDerWaalsContact O-N 3.16Å; S499-H505 PolarHBondContact OG-CD2 2.98Å; L500-H505 HydrophobicContact CD2-CB 3.73Å; L500-H505 HydrophobicContact CG-CB 3.92Å; H505-L507 WeakPolarHBondContact ND1-CB 3.4Å; H505-L507 PolarHBondContact ND1-N 3.43Å; H505-L507 PolarHBondContact O-N 2.75Å; H505-N508 PolarHBondContact N-ND2 2.74Å; H505-N508 WeakPolarHBondContact O-CB 3.37Å; H505-N508 PolarHBondContact O-N 3.3Å; H505-N508 PolarHBondContact O-ND2 3.16Å
506P90.6Very high89.1Confident94 Ų9453 Ų5361%0.6130%0.297SS*.THydrogen-bonded Turntrans-54.4-36.1178.6-28.836.5000114.4N508 K509P506-N508 PolarHBondContact O-N 3.18Å; P506-N508 VanDerWaalsContact O-N 3.13Å; P506-K509 WeakPolarHBondContact O-CB 3.29Å; P506-K509 PolarHBondContact O-N 3.01Å
507L91.1Very high89.3Confident1 Ų152 Ų521%0.00529%0.291CS..Hα-helixtrans-56.5-27.6177.3-173.765.3000113.2L444 L446 C475 L490 L500 H505 K509 R510 L511L444-L507 HydrophobicContact CD1-CD1 4.36Å; L446-L507 HydrophobicContact CD1-CD2 4.1Å; L446-L507 HydrophobicContact CD2-CD2 4.39Å; C475-L507 HydrophobicContact CB-CD2 4.2Å; L490-L507 HydrophobicContact CD1-CD2 3.71Å; L490-L507 HydrophobicContact CD2-CD2 4.31Å; L500-L507 HydrophobicContact CD2-CB 4.02Å; L500-L507 HydrophobicContact CD2-CD2 4.02Å; L500-L507 HydrophobicContact CD2-CG 4.39Å; H505-L507 WeakPolarHBondContact ND1-CB 3.4Å; H505-L507 PolarHBondContact ND1-N 3.43Å; H505-L507 PolarHBondContact O-N 2.75Å; L507-K509 PolarHBondContact O-N 3.11Å; L507-K509 VanDerWaalsContact O-N 3.13Å; L507-R510 HydrophobicContact CD1-CB 4.17Å; L507-R510 WeakPolarHBondContact O-CA 3.41Å; L507-R510 PolarHBondContact O-N 3.1Å; L507-L511 HydrophobicContact CD2-CD1 4.24Å; L507-L511 HydrophobicContact CG-CD1 3.96Å; L507-L511 HydrophobicContact CG-CG 4.15Å; L507-L511 PolarHBondContact O-N 3.17Å
508N88.7Confident89.5Confident15 Ų1552.3 Ų52.38%0.0829%0.292CS..Hα-helixtrans-61.1-22.9175.1-69.4-42.2000112.8L500 G503 H505 P506 N512L500-N508 PolarHBondContact O-ND2 3.12Å; L500-N508 PolarHBondContact O-OD1 3.38Å; G503-N508 VanDerWaalsContact CA-ND2 3.27Å; G503-N508 WeakPolarHBondContact CA-ND2 3.2Å; G503-N508 PolarHBondContact O-ND2 2.9Å; H505-N508 PolarHBondContact N-ND2 2.74Å; H505-N508 WeakPolarHBondContact O-CB 3.37Å; H505-N508 PolarHBondContact O-N 3.3Å; H505-N508 PolarHBondContact O-ND2 3.16Å; P506-N508 PolarHBondContact O-N 3.18Å; P506-N508 VanDerWaalsContact O-N 3.13Å; N508-N512 WeakPolarHBondContact O-CB 3.47Å; N508-N512 PolarHBondContact O-N 2.91Å; N508-N512 PolarHBondContact O-ND2 2.94Å
509K89.9Confident90Very high173 Ų17348.4 Ų48.475%0.75227%0.274SS*.Hα-helixtrans-72.6-38.7171.8-64.1-176.6178.4-179.70111.8P506 L507 N512 S513P506-K509 WeakPolarHBondContact O-CB 3.29Å; P506-K509 PolarHBondContact O-N 3.01Å; L507-K509 PolarHBondContact O-N 3.11Å; L507-K509 VanDerWaalsContact O-N 3.13Å; K509-N512 CarbonylContact O-C 3.5Å; K509-N512 PolarHBondContact O-N 3.41Å; K509-S513 PolarHBondContact O-N 2.76Å
510R91.5Very high90.3Very high66 Ų6646.9 Ų46.925%0.24926%0.263CS..Hα-helixtrans-72.1-43.6177.3-84.5153.666.6-163.822.4112.3L444 E473 E488 L507 N512 S513 S514L444-R510 HydrophobicContact CD1-CB 3.8Å; E473-R510 IonicContact OE1-CZ 3.44Å; E473-R510 VanDerWaalsContact OE1-CZ 3.27Å; E473-R510 IonicContact OE1-NE 2.68Å; E473-R510 PolarHBondContact OE1-NE 2.84Å; E473-R510 IonicContact OE1-NH2 2.76Å; E473-R510 PolarHBondContact OE1-NH2 3.39Å; E473-R510 IonicContact OE2-CZ 3.34Å; E473-R510 IonicContact OE2-NE 3.95Å; E473-R510 PolarHBondContact OE2-NE 3.3Å; E473-R510 IonicContact OE2-NH2 2.75Å; E473-R510 PolarHBondContact OE2-NH2 3.48Å; E488-R510 IonicContact OE1-CZ 3.25Å; E488-R510 IonicContact OE1-NH1 2.64Å; E488-R510 PolarHBondContact OE1-NH1 3.03Å; E488-R510 IonicContact OE2-CZ 2.84Å; E488-R510 IonicContact OE2-NH1 2.64Å; E488-R510 PolarHBondContact OE2-NH1 2.88Å; E488-R510 IonicContact OE2-NH2 3.9Å; E488-R510 PolarHBondContact OE2-NH2 2.91Å; L507-R510 HydrophobicContact CD1-CB 4.17Å; L507-R510 WeakPolarHBondContact O-CA 3.41Å; L507-R510 PolarHBondContact O-N 3.1Å; R510-N512 PolarHBondContact O-N 3.16Å; R510-S513 WeakPolarHBondContact CA-OG 3.46Å; R510-S513 PolarHBondContact O-N 3.5Å; R510-S513 PolarHBondContact O-OG 3.17Å; R510-S514 WeakPolarHBondContact O-CB 3.46Å; R510-S514 PolarHBondContact O-N 3.3Å
511L90.2Very high90.6Very high0 Ų046.8 Ų46.80%026%0.263CS..Hα-helixtrans-60-30.3170.4-67.8162.8000112.5L444 L446 L507 P517 L545L444-L511 HydrophobicContact CD1-CD2 4.07Å; L444-L511 HydrophobicContact CD1-CG 4.25Å; L444-L511 HydrophobicContact CD2-CD2 3.71Å; L444-L511 HydrophobicContact CG-CD2 4.46Å; L446-L511 HydrophobicContact CD2-CD1 4.49Å; L507-L511 HydrophobicContact CD2-CD1 4.24Å; L507-L511 HydrophobicContact CG-CD1 3.96Å; L507-L511 HydrophobicContact CG-CG 4.15Å; L507-L511 PolarHBondContact O-N 3.17Å; L511-P517 HydrophobicContact CD2-CB 4.05Å; L511-L545 HydrophobicContact CB-CD1 4.03Å; L511-L545 HydrophobicContact CB-CD2 3.72Å; L511-L545 HydrophobicContact CD1-CD1 4.45Å; L511-L545 HydrophobicContact CD2-CD1 4.23Å; L511-L545 HydrophobicContact CG-CD1 4.47Å
512N88.5Confident91Very high62 Ų6246.6 Ų46.633%0.33226%0.261SS..THydrogen-bonded Turntrans-86.5-5.5172-77.5-61.7000114.4N508 K509 R510 T548 K549N508-N512 WeakPolarHBondContact O-CB 3.47Å; N508-N512 PolarHBondContact O-N 2.91Å; N508-N512 PolarHBondContact O-ND2 2.94Å; K509-N512 CarbonylContact O-C 3.5Å; K509-N512 PolarHBondContact O-N 3.41Å; R510-N512 PolarHBondContact O-N 3.16Å; N512-T548 VanDerWaalsContact OD1-CG2 3.32Å; N512-T548 WeakPolarHBondContact OD1-CG2 3.23Å; N512-K549 VanDerWaalsContact C-CE 3.49Å; N512-K549 WeakPolarHBondContact O-CE 3.31Å; N512-K549 PolarHBondContact O-NZ 2.77Å
513S90.2Very high91.4Very high85 Ų8543.9 Ų43.959%0.59424%0.239SC*.THydrogen-bonded Turntrans-97.4-42.8168.460.70000112.1K509 R510 K549K509-S513 PolarHBondContact O-N 2.76Å; R510-S513 WeakPolarHBondContact CA-OG 3.46Å; R510-S513 PolarHBondContact O-N 3.5Å; R510-S513 PolarHBondContact O-OG 3.17Å; S513-K549 VanDerWaalsContact C-NZ 3.25Å; S513-K549 PolarHBondContact O-NZ 2.77Å
514S89Confident91.6Very high10 Ų1042.3 Ų42.37%0.0722%0.217CC..  trans-56133.8179.5129.10000112.5D443 L444 R510 P517 K549D443-S514 WeakPolarHBondContact OD1-CB 3.43Å; D443-S514 PolarHBondContact OD1-OG 3.12Å; L444-S514 WeakPolarHBondContact CB-OG 3.41Å; R510-S514 WeakPolarHBondContact O-CB 3.46Å; R510-S514 PolarHBondContact O-N 3.3Å; S514-P517 WeakPolarHBondContact OG-CA 3.38Å; S514-P517 WeakPolarHBondContact OG-CB 3.37Å; S514-P517 WeakPolarHBondContact OG-CD 3.44Å; S514-K549 PolarHBondContact O-NZ 2.75Å
515S88.9Confident91.7Very high58 Ų5833.9 Ų33.941%0.40618%0.181SC..SBendtrans-74.1-38.4-17864.10000112.7D443 P517 H553D443-S515 PolarHBondContact OD1-N 3.21Å; D443-S515 WeakPolarHBondContact OD2-CA 3.25Å; D443-S515 WeakPolarHBondContact OD2-CB 3.49Å; D443-S515 PolarHBondContact OD2-N 3.48Å; D443-S515 PolarHBondContact OD2-OG 2.93Å; S515-P517 WeakPolarHBondContact O-CD 3.41Å; S515-H553 PolarHBondContact O-NE2 2.69Å; S515-H553 VanDerWaalsContact O-NE2 3.1Å
516H92Very high91.7Very high76 Ų7632 Ų3235%0.35217%0.172SC..SBendtrans-127.964-175.6-64.589000111.2D441 D443 H553D441-H516 WeakPolarHBondContact O-CB 3.44Å; D443-H516 PolarHBondContact N-O 3.32Å; D443-H516 WeakPolarHBondContact OD1-CA 3.48Å; D443-H516 PolarHBondContact OD1-N 2.94Å; H516-H553 AromaticContact CD2-CD2 3.31Å; H516-H553 PolarHBondContact CD2-CD2 2.78Å; H516-H553 AromaticContact CD2-NE2 3.46Å; H516-H553 PolarHBondContact CD2-NE2 2.77Å; H516-H553 AromaticContact CG-NE2 3.97Å; H516-H553 AromaticContact NE2-CD2 3.82Å
517P94.2Very high91.6Very high1 Ų130.5 Ų30.51%0.00616%0.157CC..EExtended strand (participates in β ladder)trans-71.6131.317728.8-33.5000110.4L444 L511 S514 S515 L551 V555L444-P517 WeakPolarHBondContact O-CA 3.25Å; L511-P517 HydrophobicContact CD2-CB 4.05Å; S514-P517 WeakPolarHBondContact OG-CA 3.38Å; S514-P517 WeakPolarHBondContact OG-CB 3.37Å; S514-P517 WeakPolarHBondContact OG-CD 3.44Å; S515-P517 WeakPolarHBondContact O-CD 3.41Å; P517-L551 HydrophobicContact CG-CD1 3.97Å; P517-V555 HydrophobicContact CG-CG2 4.46Å
518I95Very high91.5Very high6 Ų632.2 Ų32.23%0.03116%0.163CC..EExtended strand (participates in β ladder)trans-122.6141.6174.6-81.3-178.8000109.6G438 A442 L444 I445 L446 I520G438-I518 WeakPolarHBondContact O-CD1 3.49Å; A442-I518 HydrophobicContact CB-CD1 3.99Å; A442-I518 HydrophobicContact CB-CG1 4.44Å; L444-I518 PolarHBondContact O-N 2.7Å; I445-I518 WeakPolarHBondContact CA-O 3.18Å; I445-I518 HydrophobicContact CD1-CG2 4.3Å; I445-I518 HydrophobicContact CG1-CB 3.92Å; I445-I518 HydrophobicContact CG1-CG2 3.95Å; L446-I518 PolarHBondContact N-O 3.05Å; I518-I520 HydrophobicContact CG2-CD1 4.22Å; I518-I520 HydrophobicContact CG2-CG1 3.86Å
519I96.1Very high91.3Very high0 Ų041.2 Ų41.20%020%0.202CC..EExtended strand (participates in β ladder)trans-125.1125177.9-51.4175.6000108.3L446 I448 V538 I541 L545 V555 N557L446-I519 HydrophobicContact CB-CG1 4.32Å; L446-I519 HydrophobicContact CB-CG2 4.35Å; L446-I519 HydrophobicContact CD2-CG2 4.29Å; L446-I519 HydrophobicContact CG-CG2 4.29Å; L446-I519 WeakPolarHBondContact O-CA 3.32Å; I448-I519 HydrophobicContact CD1-CG2 3.59Å; I448-I519 HydrophobicContact CG1-CG2 4.27Å; I519-V538 HydrophobicContact CG2-CG1 3.72Å; I519-I541 HydrophobicContact CD1-CB 4.27Å; I519-I541 HydrophobicContact CD1-CG2 3.6Å; I519-L545 HydrophobicContact CD1-CD1 4.09Å; I519-V555 HydrophobicContact CD1-CG1 3.84Å; I519-V555 HydrophobicContact CG1-CG1 3.86Å; I519-V555 PolarHBondContact N-O 2.67Å; I519-N557 WeakPolarHBondContact O-CB 3.26Å; I519-N557 PolarHBondContact O-N 3.46Å
520I96.7Very high91.1Very high0 Ų033.5 Ų33.50%017%0.168CC..EExtended strand (participates in β ladder)trans-117.8115.7-177.4-56173.6000108.8F432 I445 L446 L447 I448 I518 N557 L559F432-I520 HydrophobicContact CE2-CD1 3.84Å; F432-I520 HydrophobicContact CE2-CG1 3.87Å; F432-I520 HydrophobicContact CE2-CG2 3.94Å; F432-I520 HydrophobicContact CZ-CD1 3.71Å; F432-I520 HydrophobicContact CZ-CG1 3.99Å; I445-I520 HydrophobicContact CG2-CD1 3.99Å; I445-I520 HydrophobicContact CG2-CG1 4.49Å; L446-I520 PolarHBondContact O-N 3.42Å; L447-I520 HydrophobicContact CD2-CB 4.04Å; L447-I520 HydrophobicContact CD2-CD1 3.91Å; L447-I520 HydrophobicContact CD2-CG1 4.41Å; I448-I520 PolarHBondContact N-O 2.96Å; I518-I520 HydrophobicContact CG2-CD1 4.22Å; I518-I520 HydrophobicContact CG2-CG1 3.86Å; I520-N557 HydrophobicContact CG1-CB 4.34Å; I520-L559 HydrophobicContact CG2-CB 3.9Å
521L95.8Very high90.9Very high0 Ų030.7 Ų30.70%016%0.16CC..EExtended strand (participates in β ladder)trans-100.6124.1177.1176.757.4000110.8I448 C525 L526 I534 V538 N557 V558 L559I448-L521 HydrophobicContact CB-CD1 4.15Å; I448-L521 HydrophobicContact CG2-CD1 3.88Å; L521-C525 HydrophobicContact CD1-CB 4.18Å; L521-L526 HydrophobicContact CD2-CD1 4.29Å; L521-L526 HydrophobicContact CD2-CD2 4.1Å; L521-L526 HydrophobicContact CD2-CG 4.4Å; L521-L526 HydrophobicContact CG-CG 4.5Å; L521-I534 HydrophobicContact CD1-CG2 4.16Å; L521-V538 HydrophobicContact CB-CG1 4.46Å; L521-V538 HydrophobicContact CD1-CG2 4.37Å; L521-V538 HydrophobicContact CD2-CB 4.27Å; L521-V538 HydrophobicContact CD2-CG1 4.47Å; L521-V538 HydrophobicContact CD2-CG2 4.18Å; L521-N557 PolarHBondContact N-O 3.11Å; L521-V558 HydrophobicContact CB-CG2 4.5Å; L521-V558 WeakPolarHBondContact O-CA 3.1Å; L521-L559 PolarHBondContact O-N 2.83Å
522G95.1Very high90.8Very high0 Ų031.5 Ų31.50%017%0.166CC..EExtended strand (participates in β ladder)trans-71.1134175.600000113.3I448 E524 C525I448-G522 PolarHBondContact O-N 2.74Å; G522-E524 PolarHBondContact O-N 2.9Å; G522-C525 WeakPolarHBondContact O-CB 3.44Å; G522-C525 PolarHBondContact O-N 2.84Å; G522-C525 VanDerWaalsContact O-N 3.15Å
523S92.7Very high90.7Very high2 Ų229.1 Ų29.11%0.01416%0.155CC..THydrogen-bonded Turntrans-57.2-29.1168.347.70000113L526 Q527 L559 H560 R561S523-L526 WeakPolarHBondContact O-CB 3.08Å; S523-L526 PolarHBondContact O-N 3.48Å; S523-L526 VanDerWaalsContact O-N 3.13Å; S523-Q527 PolarHBondContact O-NE2 3.29Å; S523-L559 WeakPolarHBondContact CB-O 3.27Å; S523-L559 PolarHBondContact N-O 2.75Å; S523-L559 PolarHBondContact OG-O 3.09Å; S523-H560 WeakPolarHBondContact OG-CA 3.49Å; S523-R561 PolarHBondContact OG-N 3.12Å
524E90.5Very high90.7Very high20 Ų2025.1 Ų25.19%0.09313%0.127CC..THydrogen-bonded Turntrans-64.4-40.3174.1-178.5142.7-109.500112.6G522 L526 Q527 R561 L735 S736G522-E524 PolarHBondContact O-N 2.9Å; E524-L526 PolarHBondContact O-N 3.01Å; E524-Q527 WeakPolarHBondContact O-CB 3.49Å; E524-Q527 WeakPolarHBondContact O-CG 3.45Å; E524-Q527 PolarHBondContact O-N 3.42Å; E524-R561 VanDerWaalsContact CD-NH1 3.3Å; E524-R561 IonicContact OE1-CZ 2.71Å; E524-R561 IonicContact OE1-NH1 3.63Å; E524-R561 PolarHBondContact OE1-NH1 2.91Å; E524-R561 IonicContact OE1-NH2 3.61Å; E524-R561 IonicContact OE2-NH1 2.74Å; E524-L735 HydrophobicContact CB-CD2 4.13Å; E524-L735 HydrophobicContact CG-CD2 3.87Å; E524-L735 VanDerWaalsContact OE2-CA 3.24Å; E524-L735 WeakPolarHBondContact OE2-CA 3.29Å; E524-L735 WeakPolarHBondContact OE2-CB 3.49Å; E524-S736 VanDerWaalsContact CD-N 3.29Å; E524-S736 VanDerWaalsContact CD-OG 3.3Å; E524-S736 VanDerWaalsContact OE1-CB 3.31Å; E524-S736 WeakPolarHBondContact OE1-CB 3.32Å; E524-S736 PolarHBondContact OE1-N 3.23Å; E524-S736 PolarHBondContact OE1-OG 2.84Å; E524-S736 PolarHBondContact OE2-N 3.09Å; E524-S736 PolarHBondContact OE2-OG 2.82Å
525C90Very high90.8Very high1 Ų124.7 Ų24.71%0.00712%0.124CC..G310 helixtrans-59.9-28.5173.8-161.70000112.3G449 L521 G522 Q527 R528G449-C525 WeakPolarHBondContact O-CB 3.5Å; L521-C525 HydrophobicContact CD1-CB 4.18Å; G522-C525 WeakPolarHBondContact O-CB 3.44Å; G522-C525 PolarHBondContact O-N 2.84Å; G522-C525 VanDerWaalsContact O-N 3.15Å; C525-Q527 VanDerWaalsContact C-N 3.29Å; C525-Q527 PolarHBondContact O-N 3.33Å; C525-R528 WeakPolarHBondContact O-CG 3.19Å
526L90.1Very high90.8Very high1 Ų123.5 Ų23.51%0.00511%0.113CC..G310 helixtrans-80.90.2177.7-60.8176.7000114.3F419 L521 S523 E524 R528 A531 H535 V558F419-L526 HydrophobicContact CD2-CD1 3.61Å; F419-L526 HydrophobicContact CE2-CD1 3.41Å; F419-L526 VanDerWaalsContact CE2-CD1 3.41Å; F419-L526 HydrophobicContact CZ-CD1 4.44Å; L521-L526 HydrophobicContact CD2-CD1 4.29Å; L521-L526 HydrophobicContact CD2-CD2 4.1Å; L521-L526 HydrophobicContact CD2-CG 4.4Å; L521-L526 HydrophobicContact CG-CG 4.5Å; S523-L526 WeakPolarHBondContact O-CB 3.08Å; S523-L526 PolarHBondContact O-N 3.48Å; S523-L526 VanDerWaalsContact O-N 3.13Å; E524-L526 PolarHBondContact O-N 3.01Å; L526-R528 PolarHBondContact O-N 2.89Å; L526-A531 HydrophobicContact CB-CB 4.18Å; L526-A531 HydrophobicContact CD2-CB 3.95Å; L526-A531 WeakPolarHBondContact O-CB 3.26Å; L526-H535 HydrophobicContact CD2-CB 4.05Å; L526-V558 HydrophobicContact CD1-CG1 4.49Å
527Q88.4Confident90.7Very high64 Ų6420.2 Ų20.230%0.29910%0.099SC..G310 helixtrans-79-5.5170.2-52.6-48.4-78.900113S418 S523 E524 C525S418-Q527 PolarHBondContact O-NE2 3.28Å; S418-Q527 PolarHBondContact OG-OE1 2.85Å; S523-Q527 PolarHBondContact O-NE2 3.29Å; E524-Q527 WeakPolarHBondContact O-CB 3.49Å; E524-Q527 WeakPolarHBondContact O-CG 3.45Å; E524-Q527 PolarHBondContact O-N 3.42Å; C525-Q527 VanDerWaalsContact C-N 3.29Å; C525-Q527 PolarHBondContact O-N 3.33Å
528R87.2Confident90.6Very high37 Ų3720.2 Ų20.214%0.1410%0.099CC..SBendtrans-77.7155.2179.4-63.1175.750.2104.46.6112.4L494 C525 L526 D530 A531 E731 S732L494-R528 VanDerWaalsContact CD1-NH2 3.33Å; C525-R528 WeakPolarHBondContact O-CG 3.19Å; L526-R528 PolarHBondContact O-N 2.89Å; R528-D530 WeakPolarHBondContact CB-OD1 3.3Å; R528-D530 IonicContact CZ-OD1 2.74Å; R528-D530 IonicContact CZ-OD2 2.74Å; R528-D530 IonicContact NE-OD1 3.16Å; R528-D530 PolarHBondContact NE-OD1 2.55Å; R528-D530 IonicContact NE-OD2 3.17Å; R528-D530 IonicContact NH2-OD1 2.75Å; R528-D530 PolarHBondContact NH2-OD1 2.97Å; R528-D530 IonicContact NH2-OD2 2.75Å; R528-D530 PolarHBondContact NH2-OD2 2.94Å; R528-D530 PolarHBondContact O-N 3.09Å; R528-D530 VanDerWaalsContact O-N 3.17Å; R528-A531 WeakPolarHBondContact O-CB 3.48Å; R528-A531 PolarHBondContact O-N 2.67Å; R528-A531 VanDerWaalsContact O-N 3.1Å; R528-E731 IonicContact CZ-OE2 3.39Å; R528-E731 PolarHBondContact NH1-O 3.42Å; R528-E731 IonicContact NH1-OE2 3.39Å; R528-E731 IonicContact NH2-OE2 2.67Å; R528-S732 PolarHBondContact NH1-O 2.87Å
529K84.6Confident90.4Very high204 Ų20420 Ų2089%0.88710%0.098SC*.THydrogen-bonded Turntrans-64.5-18.8177.2-65.5-173.2178.2-175.70114.4Q725K529-Q725 PolarHBondContact O-NE2 3.23Å; K529-Q725 PolarHBondContact O-OE1 3.4Å
530D86.6Confident90Very high10 Ų1024.8 Ų24.85%0.05312%0.116CC..THydrogen-bonded Turntrans-103.816.217753.9-1.1000113.4R528 A532 A533 I534 N728R528-D530 WeakPolarHBondContact CB-OD1 3.3Å; R528-D530 IonicContact CZ-OD1 2.74Å; R528-D530 IonicContact CZ-OD2 2.74Å; R528-D530 IonicContact NE-OD1 3.16Å; R528-D530 PolarHBondContact NE-OD1 2.55Å; R528-D530 IonicContact NE-OD2 3.17Å; R528-D530 IonicContact NH2-OD1 2.75Å; R528-D530 PolarHBondContact NH2-OD1 2.97Å; R528-D530 IonicContact NH2-OD2 2.75Å; R528-D530 PolarHBondContact NH2-OD2 2.94Å; R528-D530 PolarHBondContact O-N 3.09Å; R528-D530 VanDerWaalsContact O-N 3.17Å; D530-A532 PolarHBondContact O-N 3.19Å; D530-A532 VanDerWaalsContact O-N 3.16Å; D530-A533 WeakPolarHBondContact O-CB 3.41Å; D530-A533 PolarHBondContact O-N 2.77Å; D530-I534 PolarHBondContact O-N 3.36Å; D530-N728 PolarHBondContact OD2-N 3.25Å
531A87Confident89.7Confident8 Ų825 Ų257%0.06612%0.117CC..Hα-helixtrans-51.2-37.7179.800000114.3L526 R528 A533 I534 H535L526-A531 HydrophobicContact CB-CB 4.18Å; L526-A531 HydrophobicContact CD2-CB 3.95Å; L526-A531 WeakPolarHBondContact O-CB 3.26Å; R528-A531 WeakPolarHBondContact O-CB 3.48Å; R528-A531 PolarHBondContact O-N 2.67Å; R528-A531 VanDerWaalsContact O-N 3.1Å; A531-A533 VanDerWaalsContact C-N 3.35Å; A531-A533 PolarHBondContact O-N 3.01Å; A531-I534 PolarHBondContact O-N 3.15Å; A531-H535 VanDerWaalsContact O-CB 3.29Å; A531-H535 WeakPolarHBondContact O-CB 3.49Å; A531-H535 PolarHBondContact O-N 3.34Å
532A87.3Confident89.5Confident16 Ų1625 Ų2513%0.13212%0.117CC..Hα-helixtrans-66.3-36.1177.300000112.4P420 D530 N536P420-A532 HydrophobicContact CB-CB 3.78Å; D530-A532 PolarHBondContact O-N 3.19Å; D530-A532 VanDerWaalsContact O-N 3.16Å; A532-N536 WeakPolarHBondContact O-CB 3.43Å; A532-N536 PolarHBondContact O-N 3.39Å; A532-N536 PolarHBondContact O-ND2 3.4Å
533A87.8Confident89.1Confident13 Ų1325 Ų2511%0.10712%0.117CC..Hα-helixtrans-72.5-39.2175.900000111.6D530 A531 A537 M727D530-A533 WeakPolarHBondContact O-CB 3.41Å; D530-A533 PolarHBondContact O-N 2.77Å; A531-A533 VanDerWaalsContact C-N 3.35Å; A531-A533 PolarHBondContact O-N 3.01Å; A533-A537 WeakPolarHBondContact O-CB 3.33Å; A533-A537 PolarHBondContact O-N 2.74Å; A533-A537 VanDerWaalsContact O-N 3.12Å; A533-M727 HydrophobicContact CB-CG 3.7Å; A533-M727 WeakPolarHBondContact O-CE 3.34Å
534I90.1Very high88.9Confident0 Ų027.9 Ų27.90%013%0.133CC..Hα-helixtrans-61-54.2174.7-65.5170.8000110.3L494 L497 L521 D530 A531 N536 A537 V538L494-I534 HydrophobicContact CD1-CD1 4.04Å; L494-I534 HydrophobicContact CD1-CG1 4.39Å; L494-I534 HydrophobicContact CD2-CD1 4.01Å; L494-I534 HydrophobicContact CD2-CG1 4.13Å; L497-I534 HydrophobicContact CD2-CB 4.43Å; L497-I534 HydrophobicContact CD2-CG1 4.49Å; L497-I534 HydrophobicContact CD2-CG2 3.96Å; L521-I534 HydrophobicContact CD1-CG2 4.16Å; D530-I534 PolarHBondContact O-N 3.36Å; A531-I534 PolarHBondContact O-N 3.15Å; I534-N536 PolarHBondContact O-N 3.04Å; I534-A537 PolarHBondContact O-N 3.01Å; I534-V538 WeakPolarHBondContact O-CG2 3.49Å; I534-V538 PolarHBondContact O-N 2.97Å
535H91.2Very high88.7Confident2 Ų227.2 Ų27.21%0.00913%0.13CC..Hα-helixtrans-54.8-52-179.7-178-77.9000112.2F419 P420 N429 L526 A531 A537 V538 R539 F556F419-H535 AromaticContact CZ-CD2 3.92Å; F419-H535 AromaticContact CZ-NE2 3.81Å; P420-H535 HydrophobicContact CG-CB 3.91Å; N429-H535 PolarHBondContact O-NE2 2.83Å; L526-H535 HydrophobicContact CD2-CB 4.05Å; A531-H535 VanDerWaalsContact O-CB 3.29Å; A531-H535 WeakPolarHBondContact O-CB 3.49Å; A531-H535 PolarHBondContact O-N 3.34Å; H535-A537 VanDerWaalsContact C-N 3.32Å; H535-A537 PolarHBondContact O-N 2.8Å; H535-V538 PolarHBondContact O-N 3.11Å; H535-R539 WeakPolarHBondContact O-CB 3.32Å; H535-R539 PolarHBondContact O-N 2.88Å; H535-F556 AromaticContact NE2-CZ 3.66Å
536N88.5Confident88.5Confident32 Ų3228.1 Ų28.117%0.17113%0.133CC..Hα-helixtrans-64.1-33.6-179.8-80.2-78.1000113A532 I534 R539 R540 L721A532-N536 WeakPolarHBondContact O-CB 3.43Å; A532-N536 PolarHBondContact O-N 3.39Å; A532-N536 PolarHBondContact O-ND2 3.4Å; I534-N536 PolarHBondContact O-N 3.04Å; N536-R539 PolarHBondContact O-N 3.39Å; N536-R540 WeakPolarHBondContact O-CB 3.46Å; N536-R540 PolarHBondContact O-N 2.89Å; N536-L721 HydrophobicContact CB-CD1 3.9Å
537A90Very high88.2Confident8 Ų833.3 Ų33.37%0.06616%0.158CC..Hα-helixtrans-71.4-39.217600000112.9L497 A501 A533 I534 H535 R539 R540 I541 M727L497-A537 HydrophobicContact CD2-CB 4.45Å; L497-A537 HydrophobicContact CG-CB 4.39Å; A501-A537 HydrophobicContact CB-CB 4.18Å; A533-A537 WeakPolarHBondContact O-CB 3.33Å; A533-A537 PolarHBondContact O-N 2.74Å; A533-A537 VanDerWaalsContact O-N 3.12Å; I534-A537 PolarHBondContact O-N 3.01Å; H535-A537 VanDerWaalsContact C-N 3.32Å; H535-A537 PolarHBondContact O-N 2.8Å; A537-R539 VanDerWaalsContact C-N 3.32Å; A537-R540 PolarHBondContact O-N 3.41Å; A537-I541 WeakPolarHBondContact O-CG1 3.38Å; A537-I541 PolarHBondContact O-N 2.84Å; A537-M727 HydrophobicContact CB-CE 3.14Å
538V92.3Very high87.8Confident0 Ų035 Ų350%017%0.172CC..Hα-helixtrans-64.1-41172.6-179.70000110.3I448 L497 I519 L521 I534 H535 R540 I541 S542 F556I448-V538 HydrophobicContact CD1-CB 4.49Å; I448-V538 HydrophobicContact CD1-CG1 3.95Å; I448-V538 HydrophobicContact CD1-CG2 3.7Å; I448-V538 HydrophobicContact CG2-CG2 4.43Å; L497-V538 HydrophobicContact CD1-CG2 3.77Å; L497-V538 HydrophobicContact CD2-CG2 4.22Å; I519-V538 HydrophobicContact CG2-CG1 3.72Å; L521-V538 HydrophobicContact CB-CG1 4.46Å; L521-V538 HydrophobicContact CD1-CG2 4.37Å; L521-V538 HydrophobicContact CD2-CB 4.27Å; L521-V538 HydrophobicContact CD2-CG1 4.47Å; L521-V538 HydrophobicContact CD2-CG2 4.18Å; I534-V538 WeakPolarHBondContact O-CG2 3.49Å; I534-V538 PolarHBondContact O-N 2.97Å; H535-V538 PolarHBondContact O-N 3.11Å; V538-R540 PolarHBondContact O-N 2.72Å; V538-I541 PolarHBondContact O-N 3.43Å; V538-S542 PolarHBondContact O-N 3.3Å; V538-S542 VanDerWaalsContact O-N 3.08Å; V538-F556 HydrophobicContact CB-CE2 4.14Å; V538-F556 HydrophobicContact CG1-CD2 3.92Å; V538-F556 HydrophobicContact CG1-CE2 3.74Å
539R89.9Confident87.5Confident3 Ų336.5 Ų36.51%0.01118%0.18CC..Hα-helixtrans-62.7-40.7174.1-164.569.7-172.1-145.2-3112.3S428 H535 N536 A537 I541 S542 S543 F556 D714S428-R539 PolarHBondContact O-NH1 3.23Å; S428-R539 PolarHBondContact OG-NH1 2.94Å; S428-R539 PolarHBondContact OG-NH2 2.71Å; H535-R539 WeakPolarHBondContact O-CB 3.32Å; H535-R539 PolarHBondContact O-N 2.88Å; N536-R539 PolarHBondContact O-N 3.39Å; A537-R539 VanDerWaalsContact C-N 3.32Å; R539-I541 VanDerWaalsContact C-N 3.35Å; R539-I541 PolarHBondContact O-N 3.15Å; R539-S542 WeakPolarHBondContact O-CB 3.43Å; R539-S542 PolarHBondContact O-N 2.62Å; R539-S542 VanDerWaalsContact O-N 3.16Å; R539-S543 PolarHBondContact O-N 2.72Å; R539-F556 HydrophobicContact CB-CD2 4.41Å; R539-F556 HydrophobicContact CB-CE2 4.22Å; R539-D714 IonicContact CZ-OD1 2.77Å; R539-D714 IonicContact NE-OD1 2.77Å; R539-D714 PolarHBondContact NE-OD1 2.75Å; R539-D714 IonicContact NH2-OD1 2.77Å; R539-D714 PolarHBondContact NH2-OD1 3.26Å
540R88.7Confident87.2Confident99 Ų9935.5 Ų35.537%0.37418%0.176SC..Hα-helixtrans-63.4-35.5174.6-167175.278-162.23.6113.1A501 N536 A537 V538 S543 N544A501-R540 PolarHBondContact O-NE 2.99Å; A501-R540 PolarHBondContact O-NH2 3.17Å; N536-R540 WeakPolarHBondContact O-CB 3.46Å; N536-R540 PolarHBondContact O-N 2.89Å; A537-R540 PolarHBondContact O-N 3.41Å; V538-R540 PolarHBondContact O-N 2.72Å; R540-S543 WeakPolarHBondContact CA-OG 3.47Å; R540-S543 PolarHBondContact O-OG 3.28Å; R540-N544 WeakPolarHBondContact O-CB 3.42Å; R540-N544 PolarHBondContact O-N 2.8Å; R540-N544 PolarHBondContact O-ND2 3.16Å; R540-N544 PolarHBondContact O-OD1 2.87Å
541I90.4Very high86.8Confident4 Ų436.5 Ų36.52%0.02118%0.181CC..Hα-helixtrans-62.7-49.7171.5-64.8162000109.4L497 L500 A501 I519 A537 V538 R539 S543 N544 L545L497-I541 HydrophobicContact CD1-CD1 3.72Å; L500-I541 HydrophobicContact CB-CD1 3.71Å; L500-I541 HydrophobicContact CB-CG1 4.45Å; A501-I541 HydrophobicContact CB-CD1 4.03Å; A501-I541 HydrophobicContact CB-CG1 3.79Å; I519-I541 HydrophobicContact CD1-CB 4.27Å; I519-I541 HydrophobicContact CD1-CG2 3.6Å; A537-I541 WeakPolarHBondContact O-CG1 3.38Å; A537-I541 PolarHBondContact O-N 2.84Å; V538-I541 PolarHBondContact O-N 3.43Å; R539-I541 VanDerWaalsContact C-N 3.35Å; R539-I541 PolarHBondContact O-N 3.15Å; I541-S543 PolarHBondContact O-N 2.68Å; I541-N544 PolarHBondContact O-N 3.09Å; I541-L545 HydrophobicContact CG2-CD1 4.08Å; I541-L545 WeakPolarHBondContact O-CG 3.45Å; I541-L545 PolarHBondContact O-N 3.47Å
542S90.5Very high86.4Confident0 Ų042 Ų420%021%0.209CC..Hα-helixtrans-57.6-46.7176.6169.50000112.9V538 R539 N544 L545 K546 F556V538-S542 PolarHBondContact O-N 3.3Å; V538-S542 VanDerWaalsContact O-N 3.08Å; R539-S542 WeakPolarHBondContact O-CB 3.43Å; R539-S542 PolarHBondContact O-N 2.62Å; R539-S542 VanDerWaalsContact O-N 3.16Å; S542-N544 VanDerWaalsContact C-N 3.33Å; S542-N544 PolarHBondContact O-N 3.11Å; S542-L545 PolarHBondContact O-N 3.43Å; S542-K546 PolarHBondContact O-N 2.92Å; S542-F556 WeakPolarHBondContact OG-CB 3.34Å
543S88.1Confident86.2Confident1 Ų143.4 Ų43.41%0.00721%0.213CC..Hα-helixtrans-63-41.3179.765.40000111.6R539 R540 I541 L545 K546 E547R539-S543 PolarHBondContact O-N 2.72Å; R540-S543 WeakPolarHBondContact CA-OG 3.47Å; R540-S543 PolarHBondContact O-OG 3.28Å; I541-S543 PolarHBondContact O-N 2.68Å; S543-L545 VanDerWaalsContact C-N 3.33Å; S543-L545 PolarHBondContact O-N 3.37Å; S543-K546 PolarHBondContact O-N 3.1Å; S543-E547 WeakPolarHBondContact O-CB 3.31Å; S543-E547 WeakPolarHBondContact O-CG 3.12Å; S543-E547 PolarHBondContact O-N 2.71Å
544N87Confident86.2Confident63 Ų6344 Ų4434%0.33721%0.214SC..Hα-helixtrans-63.1-40.3177.9-68.6-5.4000111.3R540 I541 S542 T548R540-N544 WeakPolarHBondContact O-CB 3.42Å; R540-N544 PolarHBondContact O-N 2.8Å; R540-N544 PolarHBondContact O-ND2 3.16Å; R540-N544 PolarHBondContact O-OD1 2.87Å; I541-N544 PolarHBondContact O-N 3.09Å; S542-N544 VanDerWaalsContact C-N 3.33Å; S542-N544 PolarHBondContact O-N 3.11Å; N544-T548 WeakPolarHBondContact O-CB 3.46Å; N544-T548 PolarHBondContact O-N 2.81Å; N544-T548 PolarHBondContact O-OG1 3.48Å
545L87.5Confident86.3Confident6 Ų644 Ų443%0.03121%0.214CC..Hα-helixtrans-68.2-46.6176.6-66.4171.8000112.2L511 I519 I541 S542 S543 E547 T548 K549 V555L511-L545 HydrophobicContact CB-CD1 4.03Å; L511-L545 HydrophobicContact CB-CD2 3.72Å; L511-L545 HydrophobicContact CD1-CD1 4.45Å; L511-L545 HydrophobicContact CD2-CD1 4.23Å; L511-L545 HydrophobicContact CG-CD1 4.47Å; I519-L545 HydrophobicContact CD1-CD1 4.09Å; I541-L545 HydrophobicContact CG2-CD1 4.08Å; I541-L545 WeakPolarHBondContact O-CG 3.45Å; I541-L545 PolarHBondContact O-N 3.47Å; S542-L545 PolarHBondContact O-N 3.43Å; S543-L545 VanDerWaalsContact C-N 3.33Å; S543-L545 PolarHBondContact O-N 3.37Å; L545-E547 VanDerWaalsContact C-N 3.32Å; L545-E547 PolarHBondContact O-N 3.38Å; L545-T548 PolarHBondContact O-N 3.01Å; L545-K549 PolarHBondContact O-N 2.77Å; L545-K549 VanDerWaalsContact O-N 3.12Å; L545-V555 HydrophobicContact CD1-CG1 4.21Å
546K86Confident86.4Confident19 Ų1944 Ų448%0.08321%0.213CC..Hα-helixtrans-56-45.4175.2-80.1-172.9173-1780111.7S542 S543 K550 L551 H553 V555S542-K546 PolarHBondContact O-N 2.92Å; S543-K546 PolarHBondContact O-N 3.1Å; K546-K550 WeakPolarHBondContact O-CA 3.23Å; K546-K550 PolarHBondContact O-N 3.13Å; K546-L551 PolarHBondContact O-N 3.27Å; K546-H553 WeakPolarHBondContact CE-O 3.11Å; K546-V555 HydrophobicContact CG-CG2 4.09Å
547E83.3Confident86.7Confident111 Ų11142.5 Ų42.552%0.51921%0.205SC..Hα-helixtrans-69.8-42.9178.1-73.7178.2168.900113.5S543 L545 K549 K718S543-E547 WeakPolarHBondContact O-CB 3.31Å; S543-E547 WeakPolarHBondContact O-CG 3.12Å; S543-E547 PolarHBondContact O-N 2.71Å; L545-E547 VanDerWaalsContact C-N 3.32Å; L545-E547 PolarHBondContact O-N 3.38Å; E547-K549 PolarHBondContact O-N 3.13Å; E547-K718 IonicContact OE1-NZ 2.8Å; E547-K718 PolarHBondContact OE1-NZ 3.34Å; E547-K718 IonicContact OE2-NZ 3.85Å; E547-K718 PolarHBondContact OE2-NZ 3.09Å
548T81Confident87Confident99 Ų9942.1 Ų42.161%0.60720%0.202SC*.Hα-helixtrans-62.4-34.3-178.8-56.60000111.8N512 N544 L545N512-T548 VanDerWaalsContact OD1-CG2 3.32Å; N512-T548 WeakPolarHBondContact OD1-CG2 3.23Å; N544-T548 WeakPolarHBondContact O-CB 3.46Å; N544-T548 PolarHBondContact O-N 2.81Å; N544-T548 PolarHBondContact O-OG1 3.48Å; L545-T548 PolarHBondContact O-N 3.01Å
549K80.2Confident87.2Confident68 Ų6842.1 Ų42.130%0.29620%0.202SC..Hα-helixtrans-108.1-12.1-176.8-78.1-160.9170-159.20116.5N512 S513 S514 L545 E547 L551N512-K549 VanDerWaalsContact C-CE 3.49Å; N512-K549 WeakPolarHBondContact O-CE 3.31Å; N512-K549 PolarHBondContact O-NZ 2.77Å; S513-K549 VanDerWaalsContact C-NZ 3.25Å; S513-K549 PolarHBondContact O-NZ 2.77Å; S514-K549 PolarHBondContact O-NZ 2.75Å; L545-K549 PolarHBondContact O-N 2.77Å; L545-K549 VanDerWaalsContact O-N 3.12Å; E547-K549 PolarHBondContact O-N 3.13Å; K549-L551 VanDerWaalsContact C-N 3.34Å; K549-L551 HydrophobicContact CB-CD1 4.23Å; K549-L551 HydrophobicContact CB-CD2 3.69Å; K549-L551 HydrophobicContact CB-CG 3.64Å; K549-L551 HydrophobicContact CD-CD2 4.1Å
550K78.2Confident87.5Confident183 Ų18342 Ų4280%0.79620%0.202SC*.THydrogen-bonded Turntrans54.347.2-168.7-55.8-179.1-178.8178.90112.5K546 D552K546-K550 WeakPolarHBondContact O-CA 3.23Å; K546-K550 PolarHBondContact O-N 3.13Å; K550-D552 PolarHBondContact O-N 3.07Å
551L77.5Confident87.7Confident31 Ų3139 Ų3916%0.16219%0.191CC..  trans-69.7127.4179.1-57.9172.5000110.6P517 K546 K549 H553 V555P517-L551 HydrophobicContact CG-CD1 3.97Å; K546-L551 PolarHBondContact O-N 3.27Å; K549-L551 VanDerWaalsContact C-N 3.34Å; K549-L551 HydrophobicContact CB-CD1 4.23Å; K549-L551 HydrophobicContact CB-CD2 3.69Å; K549-L551 HydrophobicContact CB-CG 3.64Å; K549-L551 HydrophobicContact CD-CD2 4.1Å; L551-H553 VanDerWaalsContact C-N 3.32Å; L551-V555 HydrophobicContact CD1-CG2 3.8Å
552D79.5Confident87.8Confident123 Ų12339.1 Ų39.166%0.65819%0.191SC*.  trans-80.2-14.3172.2-91-43.4000113.2K550 K707K550-D552 PolarHBondContact O-N 3.07Å; D552-K707 IonicContact OD1-NZ 3.94Å; D552-K707 PolarHBondContact OD1-NZ 2.72Å
553H83.3Confident88Confident47 Ų4739.4 Ų39.422%0.21819%0.193CC..SBendtrans-90.3178.3-17870.969.2000113.6S515 H516 K546 L551S515-H553 PolarHBondContact O-NE2 2.69Å; S515-H553 VanDerWaalsContact O-NE2 3.1Å; H516-H553 AromaticContact CD2-CD2 3.31Å; H516-H553 PolarHBondContact CD2-CD2 2.78Å; H516-H553 AromaticContact CD2-NE2 3.46Å; H516-H553 PolarHBondContact CD2-NE2 2.77Å; H516-H553 AromaticContact CG-NE2 3.97Å; H516-H553 AromaticContact NE2-CD2 3.82Å; K546-H553 WeakPolarHBondContact CE-O 3.11Å; L551-H553 VanDerWaalsContact C-N 3.32Å
554Q87.7Confident88.4Confident26 Ų2639.3 Ų39.312%0.12119%0.193CC..  trans-108.496.3-169-60.4-50.3-49.500113.3N433 S434 Q710N433-Q554 HydrophobicContact CB-CB 3.74Å; N433-Q554 HydrophobicContact CB-CG 4.03Å; S434-Q554 WeakPolarHBondContact CB-O 3.42Å; Q554-Q710 VanDerWaalsContact NE2-CD 3.28Å; Q554-Q710 VanDerWaalsContact OE1-CD 3.24Å
555V91.6Very high88.7Confident0 Ų036.3 Ų36.30%018%0.177CC..  trans-68.5-41.9179.1-179.70000113.1P517 I519 L545 K546 L551 N557P517-V555 HydrophobicContact CG-CG2 4.46Å; I519-V555 HydrophobicContact CD1-CG1 3.84Å; I519-V555 HydrophobicContact CG1-CG1 3.86Å; I519-V555 PolarHBondContact N-O 2.67Å; L545-V555 HydrophobicContact CD1-CG1 4.21Å; K546-V555 HydrophobicContact CG-CG2 4.09Å; L551-V555 HydrophobicContact CD1-CG2 3.8Å; V555-N557 PolarHBondContact O-ND2 3.12Å
556F93.6Very high89.1Confident1 Ų136.1 Ų36.10%0.00418%0.176CC..EExtended strand (participates in β ladder)trans-89.5127.6-172.6179.1-89000113.1N429 N433 H535 V538 R539 S542 V558N429-F556 WeakPolarHBondContact O-CE1 3.35Å; N433-F556 PolarHBondContact ND2-O 3.37Å; H535-F556 AromaticContact NE2-CZ 3.66Å; V538-F556 HydrophobicContact CB-CE2 4.14Å; V538-F556 HydrophobicContact CG1-CD2 3.92Å; V538-F556 HydrophobicContact CG1-CE2 3.74Å; R539-F556 HydrophobicContact CB-CD2 4.41Å; R539-F556 HydrophobicContact CB-CE2 4.22Å; S542-F556 WeakPolarHBondContact OG-CB 3.34Å; F556-V558 HydrophobicContact CE1-CG2 3.76Å; F556-V558 HydrophobicContact CZ-CG2 3.78Å
557N95.4Very high89.6Confident0 Ų035.2 Ų35.20%017%0.172CC..EExtended strand (participates in β ladder)trans-137.2145.9177.4-62.4-79.1000111.4F432 N433 S434 I519 I520 L521 V555F432-N557 WeakPolarHBondContact CA-OD1 3.25Å; F432-N557 HydrophobicContact CD1-CB 4.35Å; F432-N557 WeakPolarHBondContact CD1-OD1 3.38Å; F432-N557 HydrophobicContact CD2-CB 3.75Å; F432-N557 HydrophobicContact CE1-CB 4.47Å; F432-N557 HydrophobicContact CE2-CB 3.88Å; F432-N557 HydrophobicContact CG-CB 3.99Å; F432-N557 HydrophobicContact CZ-CB 4.23Å; N433-N557 PolarHBondContact N-OD1 2.55Å; S434-N557 PolarHBondContact N-OD1 2.94Å; S434-N557 PolarHBondContact OG-ND2 2.86Å; S434-N557 PolarHBondContact OG-OD1 2.92Å; S434-N557 VanDerWaalsContact OG-OD1 3.06Å; I519-N557 WeakPolarHBondContact O-CB 3.26Å; I519-N557 PolarHBondContact O-N 3.46Å; I520-N557 HydrophobicContact CG1-CB 4.34Å; L521-N557 PolarHBondContact N-O 3.11Å; V555-N557 PolarHBondContact O-ND2 3.12Å
558V95.5Very high90.1Very high0 Ų029.9 Ų29.90%015%0.147CC..EExtended strand (participates in β ladder)trans-113.7136.3167.1175.90000109.4F419 N429 L431 L521 L526 F556 T642F419-V558 HydrophobicContact CE2-CG1 4.37Å; N429-V558 WeakPolarHBondContact O-CG2 3.4Å; L431-V558 PolarHBondContact O-N 3.31Å; L521-V558 HydrophobicContact CB-CG2 4.5Å; L521-V558 WeakPolarHBondContact O-CA 3.1Å; L526-V558 HydrophobicContact CD1-CG1 4.49Å; F556-V558 HydrophobicContact CE1-CG2 3.76Å; F556-V558 HydrophobicContact CZ-CG2 3.78Å; V558-T642 PolarHBondContact O-OG1 3.3Å
559L96.5Very high90.8Very high0 Ų025.4 Ų25.40%012%0.119CC..EExtended strand (participates in β ladder)trans-102.6112.4173.2-177.756.9000110.4P452 E455 A456 L459 I520 L521 S523 T642P452-L559 HydrophobicContact CB-CD2 4.14Å; E455-L559 HydrophobicContact CB-CD2 4.43Å; A456-L559 HydrophobicContact CB-CD1 3.92Å; A456-L559 HydrophobicContact CB-CD2 4.24Å; L459-L559 HydrophobicContact CD2-CD1 3.82Å; L459-L559 HydrophobicContact CD2-CD2 3.77Å; L459-L559 HydrophobicContact CD2-CG 4.38Å; I520-L559 HydrophobicContact CG2-CB 3.9Å; L521-L559 PolarHBondContact O-N 2.83Å; S523-L559 WeakPolarHBondContact CB-O 3.27Å; S523-L559 PolarHBondContact N-O 2.75Å; S523-L559 PolarHBondContact OG-O 3.09Å; L559-T642 HydrophobicContact CD1-CG2 4.11Å
560H95.3Very high91.4Very high1 Ų123.1 Ų23.11%0.00511%0.11CC..  trans-83.7159169.6-64.3-76.5000111.2A295 Y430 S523 Q565 V566 T642A295-H560 HydrophobicContact CB-CB 3.63Å; A295-H560 WeakPolarHBondContact CB-O 3.3Å; Y430-H560 PolarHBondContact O-CD2 2.81Å; Y430-H560 PolarHBondContact O-NE2 2.99Å; S523-H560 WeakPolarHBondContact OG-CA 3.49Å; H560-Q565 WeakPolarHBondContact ND1-CG 3.12Å; H560-V566 VanDerWaalsContact CD2-CG2 3.44Å; H560-V566 WeakPolarHBondContact CD2-CG2 3.35Å; H560-T642 PolarHBondContact N-OG1 2.86Å; H560-T642 VanDerWaalsContact N-OG1 3.1Å
561R93Very high92.2Very high37 Ų3714.5 Ų14.514%0.147%0.073CC..  trans-117.3-15.1171.859177.5171.6-173.6-12113.8A295 E417 E455 S523 E524A295-R561 PolarHBondContact N-O 3.1Å; E417-R561 IonicContact OE1-CZ 3.62Å; E417-R561 IonicContact OE1-NE 2.77Å; E417-R561 PolarHBondContact OE1-NE 3.07Å; E417-R561 IonicContact OE1-NH2 2.69Å; E417-R561 PolarHBondContact OE1-NH2 2.88Å; E417-R561 VanDerWaalsContact OE2-CG 3.28Å; E417-R561 WeakPolarHBondContact OE2-CG 3.34Å; E417-R561 IonicContact OE2-NE 3.85Å; E455-R561 HydrophobicContact CB-CB 4.49Å; S523-R561 PolarHBondContact OG-N 3.12Å; E524-R561 VanDerWaalsContact CD-NH1 3.3Å; E524-R561 IonicContact OE1-CZ 2.71Å; E524-R561 IonicContact OE1-NH1 3.63Å; E524-R561 PolarHBondContact OE1-NH1 2.91Å; E524-R561 IonicContact OE1-NH2 3.61Å; E524-R561 IonicContact OE2-NH1 2.74Å
562N93.8Very high92.8Very high5 Ų514.9 Ų14.93%0.0278%0.084CC..  trans-101.1126.5177.8-744.5000112A295 P391 S564 Q565 R595A295-N562 WeakPolarHBondContact CB-O 3.45Å; P391-N562 HydrophobicContact CB-CB 4.16Å; N562-S564 VanDerWaalsContact C-N 3.31Å; N562-S564 PolarHBondContact O-N 3.12Å; N562-Q565 HydrophobicContact CB-CB 3.99Å; N562-Q565 WeakPolarHBondContact O-CB 3.35Å; N562-Q565 PolarHBondContact O-N 3.29Å; N562-R595 PolarHBondContact ND2-NH1 2.81Å; N562-R595 VanDerWaalsContact ND2-NH1 3.14Å; N562-R595 PolarHBondContact OD1-NH1 2.85Å; N562-R595 PolarHBondContact OD1-NH2 3.49Å
563A94.7Very high93.4Very high6 Ų69.1 Ų9.15%0.055%0.054CC..THydrogen-bonded Turntrans-63.7-28.7179.400000114.6V292 P391 Y639V292-A563 HydrophobicContact CB-CB 3.79Å; V292-A563 HydrophobicContact CG1-CB 4.24Å; V292-A563 WeakPolarHBondContact O-CB 3.38Å; P391-A563 PolarHBondContact O-N 3.18Å; A563-Y639 HydrophobicContact CB-CD1 4.26Å
564S95.3Very high93.5Very high0 Ų09 Ų90%06%0.056CC..THydrogen-bonded Turntrans-76.6-21.9176.361.30000114.2G390 P391 A393 N562 V566 A567 A568G390-S564 WeakPolarHBondContact O-CB 3.48Å; G390-S564 PolarHBondContact O-OG 3.44Å; P391-S564 WeakPolarHBondContact CA-OG 3.45Å; P391-S564 WeakPolarHBondContact O-CB 3.44Å; P391-S564 PolarHBondContact O-N 2.75Å; P391-S564 PolarHBondContact O-OG 2.95Å; A393-S564 WeakPolarHBondContact O-CB 3.36Å; N562-S564 VanDerWaalsContact C-N 3.31Å; N562-S564 PolarHBondContact O-N 3.12Å; S564-V566 PolarHBondContact O-N 3.06Å; S564-A567 PolarHBondContact O-N 2.92Å; S564-A568 WeakPolarHBondContact O-CB 3.46Å; S564-A568 PolarHBondContact O-N 3.17Å
565Q94.7Very high92.9Very high0 Ų07.8 Ų7.80%05%0.05CC..Hα-helixtrans-65.3-45.6-162.6-175.570.9-1.100112.9T415 E417 H560 N562 A568 L569T415-Q565 PolarHBondContact OG1-OE1 3.29Å; T415-Q565 VanDerWaalsContact OG1-OE1 3.11Å; E417-Q565 HydrophobicContact CG-CG 4.29Å; E417-Q565 PolarHBondContact O-NE2 3.31Å; E417-Q565 PolarHBondContact O-OE1 3.45Å; H560-Q565 WeakPolarHBondContact ND1-CG 3.12Å; N562-Q565 HydrophobicContact CB-CB 3.99Å; N562-Q565 WeakPolarHBondContact O-CB 3.35Å; N562-Q565 PolarHBondContact O-N 3.29Å; Q565-A568 WeakPolarHBondContact O-CB 3.34Å; Q565-A568 PolarHBondContact O-N 2.95Å; Q565-L569 HydrophobicContact CG-CD1 4.3Å; Q565-L569 VanDerWaalsContact O-CG 3.31Å; Q565-L569 WeakPolarHBondContact O-CG 3.4Å; Q565-L569 PolarHBondContact O-N 2.83Å
566V95.1Very high92.4Very high1 Ų110.3 Ų10.31%0.0066%0.064CC..Hα-helixtrans-67.2-42.4-179.6179.50000111.1Y430 L431 H560 S564 A568 L569 D570 A640Y430-V566 HydrophobicContact CD2-CG1 4.48Å; Y430-V566 HydrophobicContact CE2-CG1 4.28Å; L431-V566 HydrophobicContact CD2-CG1 3.49Å; L431-V566 VanDerWaalsContact CD2-CG1 3.49Å; H560-V566 VanDerWaalsContact CD2-CG2 3.44Å; H560-V566 WeakPolarHBondContact CD2-CG2 3.35Å; S564-V566 PolarHBondContact O-N 3.06Å; V566-A568 VanDerWaalsContact C-N 3.3Å; V566-A568 PolarHBondContact O-N 3.11Å; V566-L569 PolarHBondContact O-N 3.22Å; V566-D570 WeakPolarHBondContact O-CB 3.16Å; V566-D570 PolarHBondContact O-N 3.05Å; V566-A640 HydrophobicContact CB-CB 4.24Å; V566-A640 HydrophobicContact CG1-CB 4.03Å
567A95.6Very high92.1Very high0 Ų011 Ų110%07%0.067CC..Hα-helixtrans-65.1-33.417600000112.4A395 M398 S564 L571 A640 L696A395-A567 HydrophobicContact CB-CB 4.36Å; M398-A567 HydrophobicContact CE-CB 3.65Å; S564-A567 PolarHBondContact O-N 2.92Å; A567-L571 WeakPolarHBondContact O-CB 3.47Å; A567-L571 VanDerWaalsContact O-CG 3.22Å; A567-L571 WeakPolarHBondContact O-CG 3.47Å; A567-L571 PolarHBondContact O-N 2.93Å; A567-A640 HydrophobicContact CB-CB 4.01Å; A567-L696 HydrophobicContact CB-CD2 4.47Å
568A95.4Very high91.6Very high0 Ų015.2 Ų15.20%09%0.087CC..Hα-helixtrans-65.8-45.9172.900000111.8M398 T415 S564 Q565 V566 L571 G572 Y573M398-A568 HydrophobicContact CE-CB 4.37Å; M398-A568 HydrophobicContact SD-CB 3.59Å; M398-A568 VanDerWaalsContact SD-CB 3.59Å; T415-A568 HydrophobicContact CG2-CB 3.39Å; S564-A568 WeakPolarHBondContact O-CB 3.46Å; S564-A568 PolarHBondContact O-N 3.17Å; Q565-A568 WeakPolarHBondContact O-CB 3.34Å; Q565-A568 PolarHBondContact O-N 2.95Å; V566-A568 VanDerWaalsContact C-N 3.3Å; V566-A568 PolarHBondContact O-N 3.11Å; A568-L571 CarbonylContact O-C 3.54Å; A568-L571 PolarHBondContact O-N 3.43Å; A568-G572 PolarHBondContact O-N 3.27Å; A568-Y573 HydrophobicContact CB-CD2 4.45Å; A568-Y573 HydrophobicContact CB-CG 4.13Å; A568-Y573 WeakPolarHBondContact O-CB 3.24Å; A568-Y573 PolarHBondContact O-N 3.39Å
569L94.2Very high91.1Very high4 Ų417.3 Ų17.32%0.02110%0.098CC..Hα-helixtrans-65.5-39.6177.2-66.1176.5000111.9F419 T424 Y430 Q565 V566 L571 G572F419-L569 HydrophobicContact CD1-CD1 4.44Å; F419-L569 HydrophobicContact CG-CD1 4.43Å; T424-L569 HydrophobicContact CG2-CD2 3.73Å; Y430-L569 HydrophobicContact CD1-CB 4.39Å; Y430-L569 HydrophobicContact CD1-CD1 4.12Å; Y430-L569 HydrophobicContact CD2-CB 4.07Å; Y430-L569 HydrophobicContact CD2-CD1 3.82Å; Y430-L569 HydrophobicContact CE1-CB 4.04Å; Y430-L569 HydrophobicContact CE2-CB 3.7Å; Y430-L569 HydrophobicContact CE2-CD1 4.34Å; Y430-L569 HydrophobicContact CG-CB 4.39Å; Y430-L569 HydrophobicContact CG-CD1 3.69Å; Y430-L569 PolarHBondContact OH-O 2.88Å; Q565-L569 HydrophobicContact CG-CD1 4.3Å; Q565-L569 VanDerWaalsContact O-CG 3.31Å; Q565-L569 WeakPolarHBondContact O-CG 3.4Å; Q565-L569 PolarHBondContact O-N 2.83Å; V566-L569 PolarHBondContact O-N 3.22Å; L569-L571 VanDerWaalsContact C-N 3.33Å; L569-L571 PolarHBondContact O-N 2.86Å; L569-G572 WeakPolarHBondContact O-CA 3.43Å; L569-G572 PolarHBondContact O-N 3.41Å
570D93.9Very high90.7Very high21 Ų2117.3 Ų17.311%0.11210%0.098CC..Hα-helixtrans-61.2-38.8172.8-81-26.1000112.2R427 Y430 V566 G572 A693 L696R427-D570 IonicContact CZ-OD1 2.73Å; R427-D570 VanDerWaalsContact CZ-OD1 3.3Å; R427-D570 IonicContact CZ-OD2 2.97Å; R427-D570 IonicContact NE-OD1 3.18Å; R427-D570 PolarHBondContact NE-OD1 2.79Å; R427-D570 IonicContact NE-OD2 2.68Å; R427-D570 VanDerWaalsContact NH2-CG 3.3Å; R427-D570 IonicContact NH2-OD1 2.8Å; R427-D570 PolarHBondContact NH2-OD1 3.22Å; R427-D570 VanDerWaalsContact NH2-OD1 3.09Å; R427-D570 IonicContact NH2-OD2 2.87Å; R427-D570 PolarHBondContact NH2-OD2 2.74Å; Y430-D570 PolarHBondContact OH-N 3.22Å; Y430-D570 PolarHBondContact OH-OD1 2.91Å; Y430-D570 VanDerWaalsContact OH-OD1 3.11Å; V566-D570 WeakPolarHBondContact O-CB 3.16Å; V566-D570 PolarHBondContact O-N 3.05Å; D570-G572 PolarHBondContact O-N 3.34Å; D570-A693 HydrophobicContact CB-CB 4.35Å; D570-A693 WeakPolarHBondContact O-CB 3.49Å; D570-L696 HydrophobicContact CB-CD1 4.14Å; D570-L696 HydrophobicContact CB-CD2 4.24Å; D570-L696 HydrophobicContact CB-CG 4.29Å; D570-L696 WeakPolarHBondContact OD2-CD2 3.49Å
571L94Very high90.4Very high2 Ų219.2 Ų19.21%0.0111%0.106CC..THydrogen-bonded Turntrans-76.6-0.5173.7-70.3172.2000113.5A395 M398 M399 K402 A567 A568 L569 Y573 I689 V692 A693 L696A395-L571 HydrophobicContact CB-CD1 4.24Å; M398-L571 HydrophobicContact CB-CD1 3.7Å; M398-L571 HydrophobicContact CE-CD1 4.49Å; M399-L571 HydrophobicContact SD-CD2 3.84Å; K402-L571 PolarHBondContact NZ-O 3.21Å; A567-L571 WeakPolarHBondContact O-CB 3.47Å; A567-L571 VanDerWaalsContact O-CG 3.22Å; A567-L571 WeakPolarHBondContact O-CG 3.47Å; A567-L571 PolarHBondContact O-N 2.93Å; A568-L571 CarbonylContact O-C 3.54Å; A568-L571 PolarHBondContact O-N 3.43Å; L569-L571 VanDerWaalsContact C-N 3.33Å; L569-L571 PolarHBondContact O-N 2.86Å; L571-Y573 HydrophobicContact CB-CD2 4.19Å; L571-Y573 HydrophobicContact CB-CE2 4.44Å; L571-I689 HydrophobicContact CD2-CG2 4.45Å; L571-V692 HydrophobicContact CD2-CG1 4.29Å; L571-A693 HydrophobicContact CD2-CB 4.18Å; L571-L696 HydrophobicContact CD2-CD1 4.06Å; L571-L696 HydrophobicContact CG-CD1 3.97Å
572G91.5Very high90.2Very high39 Ų3924.1 Ų24.140%0.40213%0.131SC..THydrogen-bonded Turntrans66.646.5-178.300000113.3K402 A568 L569 D570K402-G572 PolarHBondContact NZ-O 3.22Å; A568-G572 PolarHBondContact O-N 3.27Å; L569-G572 WeakPolarHBondContact O-CA 3.43Å; L569-G572 PolarHBondContact O-N 3.41Å; D570-G572 PolarHBondContact O-N 3.34Å
573Y92.4Very high89.9Confident2 Ų226.8 Ų26.81%0.00815%0.145CC..  trans-73146.7163.8-87.7-119.6000110.3V389 M398 K402 V413 A568 L571V389-Y573 HydrophobicContact CB-CE1 4.39Å; V389-Y573 HydrophobicContact CG2-CD1 4.13Å; V389-Y573 HydrophobicContact CG2-CE1 3.41Å; V389-Y573 VanDerWaalsContact CG2-CE1 3.41Å; M398-Y573 HydrophobicContact CB-CE2 3.97Å; M398-Y573 PolarHBondContact O-OH 3.16Å; K402-Y573 HydrophobicContact CB-CE2 3.91Å; K402-Y573 HydrophobicContact CD-CD2 4.35Å; K402-Y573 HydrophobicContact CD-CE2 4.09Å; V413-Y573 HydrophobicContact CB-CD1 3.7Å; V413-Y573 HydrophobicContact CB-CE1 3.54Å; V413-Y573 HydrophobicContact CB-CG 4.25Å; V413-Y573 HydrophobicContact CG1-CE1 4.05Å; V413-Y573 HydrophobicContact CG2-CD1 4.31Å; V413-Y573 HydrophobicContact CG2-CE1 4.42Å; V413-Y573 HydrophobicContact CG2-CG 4.38Å; A568-Y573 HydrophobicContact CB-CD2 4.45Å; A568-Y573 HydrophobicContact CB-CG 4.13Å; A568-Y573 WeakPolarHBondContact O-CB 3.24Å; A568-Y573 PolarHBondContact O-N 3.39Å; L571-Y573 HydrophobicContact CB-CD2 4.19Å; L571-Y573 HydrophobicContact CB-CE2 4.44Å
574T85Confident89.6Confident43 Ų4331.2 Ų31.226%0.26416%0.163SC..BIsolated β-bridgetrans-74161164.971.40000109.7V413 C414 T415V413-T574 PolarHBondContact O-N 3.17Å; V413-T574 PolarHBondContact O-OG1 2.77Å; C414-T574 VanDerWaalsContact CA-O 3.32Å; C414-T574 WeakPolarHBondContact CA-O 3.2Å; C414-T574 PolarHBondContact SG-OG1 2.9Å; T415-T574 PolarHBondContact N-O 2.69Å
575S75.3Confident89.4Confident1 Ų131.2 Ų31.21%0.00716%0.163CC..  trans-137.736.2-174.139.30000111.2S418 F419S418-S575 CarbonylContact C-O 3.47Å; S418-S575 WeakPolarHBondContact CA-O 3.5Å; S418-S575 WeakPolarHBondContact CB-O 3.35Å; F419-S575 PolarHBondContact N-O 2.91Å; F419-S575 PolarHBondContact O-OG 3.48Å
576D81.2Confident89.2Confident54 Ų5435.1 Ų35.129%0.28918%0.18SC..  trans-129.3108.4169.6-179.611.2000110.9T421 E578 I579T421-D576 HydrophobicContact CG2-CB 4.12Å; D576-E578 PolarHBondContact O-N 2.81Å; D576-E578 VanDerWaalsContact OD1-CB 3.27Å; D576-E578 WeakPolarHBondContact OD1-CB 3.31Å; D576-E578 PolarHBondContact OD1-N 2.76Å; D576-I579 HydrophobicContact CB-CD1 3.94Å; D576-I579 HydrophobicContact CB-CG1 3.97Å; D576-I579 WeakPolarHBondContact O-CB 3.4Å; D576-I579 WeakPolarHBondContact O-CG1 3.31Å; D576-I579 PolarHBondContact O-N 2.76Å
577I85.3Confident89.2Confident14 Ų1435.2 Ų35.27%0.07218%0.18CC..Hα-helixtrans-69.1-22.8-179.7-55.1175.9000111.1L388 T415 I579 I580 K581 L597 I598L388-I577 HydrophobicContact CD1-CD1 4.34Å; L388-I577 HydrophobicContact CD1-CG1 4.24Å; T415-I577 WeakPolarHBondContact O-CG1 3.31Å; I577-I579 PolarHBondContact O-N 2.97Å; I577-I580 PolarHBondContact O-N 3.06Å; I577-I580 VanDerWaalsContact O-N 3.13Å; I577-K581 PolarHBondContact O-N 3.11Å; I577-L597 HydrophobicContact CD1-CB 3.99Å; I577-L597 HydrophobicContact CD1-CD1 3.54Å; I577-L597 HydrophobicContact CD1-CG 4.39Å; I577-I598 HydrophobicContact CG2-CD1 3.93Å; I577-I598 HydrophobicContact CG2-CG1 3.73Å
578E85.2Confident89.1Confident89 Ų8935.2 Ų35.242%0.41618%0.18SC..Hα-helixtrans-63.9-25.7176.3-59.2-59.3133.100111.8D576 I580 K581 Q582D576-E578 PolarHBondContact O-N 2.81Å; D576-E578 VanDerWaalsContact OD1-CB 3.27Å; D576-E578 WeakPolarHBondContact OD1-CB 3.31Å; D576-E578 PolarHBondContact OD1-N 2.76Å; E578-I580 VanDerWaalsContact C-N 3.34Å; E578-I580 PolarHBondContact O-N 3.46Å; E578-K581 PolarHBondContact O-N 3.28Å; E578-K581 WeakPolarHBondContact OE1-CD 3.12Å; E578-K581 WeakPolarHBondContact OE1-CE 3.43Å; E578-K581 IonicContact OE1-NZ 3.63Å; E578-K581 PolarHBondContact OE1-NZ 2.88Å; E578-K581 WeakPolarHBondContact OE2-CD 3.46Å; E578-Q582 WeakPolarHBondContact O-CB 3.38Å; E578-Q582 WeakPolarHBondContact O-CG 3.34Å; E578-Q582 PolarHBondContact O-N 2.99Å; E578-Q582 PolarHBondContact O-NE2 2.97Å
579I86.1Confident89.1Confident45 Ų4535.2 Ų35.223%0.23118%0.18CC..Hα-helixtrans-61.7-42173.9-53.6176.5000110.6L412 D576 I577 Q582 N583L412-I579 HydrophobicContact CD2-CG2 3.58Å; D576-I579 HydrophobicContact CB-CD1 3.94Å; D576-I579 HydrophobicContact CB-CG1 3.97Å; D576-I579 WeakPolarHBondContact O-CB 3.4Å; D576-I579 WeakPolarHBondContact O-CG1 3.31Å; D576-I579 PolarHBondContact O-N 2.76Å; I577-I579 PolarHBondContact O-N 2.97Å; I579-Q582 PolarHBondContact O-N 3.46Å; I579-N583 WeakPolarHBondContact O-CB 3.39Å; I579-N583 PolarHBondContact O-N 3.14Å; I579-N583 PolarHBondContact O-ND2 2.84Å
580I87.9Confident89.2Confident0 Ų035.2 Ų35.20%018%0.181CC..Hα-helixtrans-66.2-43.2175.1-67.7177.8000110.7A386 C414 I577 E578 Q582 N583 K584 P585 L588 I598 L603A386-I580 HydrophobicContact CB-CD1 4.16Å; A386-I580 HydrophobicContact CB-CG1 4.16Å; C414-I580 HydrophobicContact CB-CD1 3.76Å; C414-I580 VanDerWaalsContact SG-CD1 3.53Å; I577-I580 PolarHBondContact O-N 3.06Å; I577-I580 VanDerWaalsContact O-N 3.13Å; E578-I580 VanDerWaalsContact C-N 3.34Å; E578-I580 PolarHBondContact O-N 3.46Å; I580-Q582 VanDerWaalsContact C-N 3.3Å; I580-Q582 PolarHBondContact O-N 3.09Å; I580-N583 PolarHBondContact O-N 2.96Å; I580-K584 PolarHBondContact O-N 2.91Å; I580-P585 HydrophobicContact CG2-CG 3.98Å; I580-P585 WeakPolarHBondContact O-CD 3.45Å; I580-L588 HydrophobicContact CD1-CD1 4.35Å; I580-L588 HydrophobicContact CG2-CD1 4.36Å; I580-I598 HydrophobicContact CB-CD1 4.3Å; I580-I598 HydrophobicContact CD1-CD1 4.42Å; I580-I598 HydrophobicContact CG2-CD1 3.73Å; I580-L603 HydrophobicContact CG2-CD2 4.43Å
581K89Confident89.3Confident40 Ų4034.5 Ų34.517%0.17418%0.177CC..Hα-helixtrans-64.8-32.3179.3-62.5173.3179.9174.30112.9I577 E578 K584 L597 H602I577-K581 PolarHBondContact O-N 3.11Å; E578-K581 PolarHBondContact O-N 3.28Å; E578-K581 WeakPolarHBondContact OE1-CD 3.12Å; E578-K581 WeakPolarHBondContact OE1-CE 3.43Å; E578-K581 IonicContact OE1-NZ 3.63Å; E578-K581 PolarHBondContact OE1-NZ 2.88Å; E578-K581 WeakPolarHBondContact OE2-CD 3.46Å; K581-K584 VanDerWaalsContact O-CG 3.3Å; K581-K584 WeakPolarHBondContact O-CG 3.34Å; K581-L597 VanDerWaalsContact CE-O 3.31Å; K581-L597 WeakPolarHBondContact CE-O 3.29Å; K581-H602 HydrophobicContact CG-CB 4.14Å
582Q88.7Confident89.3Confident140 Ų14034.9 Ų34.965%0.65418%0.181SC*.Hα-helixtrans-74.3-46.7175.7-72.6167.643.800112E578 I579 I580E578-Q582 WeakPolarHBondContact O-CB 3.38Å; E578-Q582 WeakPolarHBondContact O-CG 3.34Å; E578-Q582 PolarHBondContact O-N 2.99Å; E578-Q582 PolarHBondContact O-NE2 2.97Å; I579-Q582 PolarHBondContact O-N 3.46Å; I580-Q582 VanDerWaalsContact C-N 3.3Å; I580-Q582 PolarHBondContact O-N 3.09Å
583N87.6Confident89.4Confident61 Ų6133.3 Ų33.333%0.32616%0.164SC..Hα-helixtrans-75.4-24.5-176.7-77.1-91.3000113.7N383 L412 I579 I580N383-N583 HydrophobicContact CB-CB 4.38Å; N383-N583 WeakPolarHBondContact CB-OD1 3.49Å; N383-N583 PolarHBondContact ND2-OD1 2.93Å; L412-N583 HydrophobicContact CD1-CB 3.69Å; I579-N583 WeakPolarHBondContact O-CB 3.39Å; I579-N583 PolarHBondContact O-N 3.14Å; I579-N583 PolarHBondContact O-ND2 2.84Å; I580-N583 PolarHBondContact O-N 2.96Å
584K89.1Confident89.3Confident100 Ų10033.5 Ų33.544%0.43517%0.165SC..  trans49.263.6-179.8-59.3-164.1175.2-163.80113.2I580 K581 H602I580-K584 PolarHBondContact O-N 2.91Å; K581-K584 VanDerWaalsContact O-CG 3.3Å; K581-K584 WeakPolarHBondContact O-CG 3.34Å; K584-H602 WeakPolarHBondContact CE-O 3.18Å
585P90.5Very high89.3Confident0 Ų034.6 Ų34.60%017%0.165CC..  trans-60.9146.1-175.427.9-37.1000112.1Q384 A386 I580 I587 L603 S607Q384-P585 CarbonylContact O-C 3.59Å; Q384-P585 WeakPolarHBondContact O-CB 3.49Å; A386-P585 HydrophobicContact CB-CB 3.91Å; A386-P585 HydrophobicContact CB-CG 3.65Å; I580-P585 HydrophobicContact CG2-CG 3.98Å; I580-P585 WeakPolarHBondContact O-CD 3.45Å; P585-I587 VanDerWaalsContact C-N 3.32Å; P585-L603 HydrophobicContact CG-CD2 4.43Å; P585-S607 PolarHBondContact O-OG 3.15Å
586K91.1Very high89.9Confident81 Ų8139.3 Ų39.335%0.35219%0.19SC..SBendtrans-71.2-27.9175.1-77.1-179.2171.1-79.30112.7I371 Q384 D606 S607 F608I371-K586 HydrophobicContact CD1-CB 4.43Å; Q384-K586 PolarHBondContact O-N 3.1Å; K586-D606 IonicContact NZ-OD2 3.61Å; K586-D606 PolarHBondContact NZ-OD2 2.8Å; K586-S607 CarbonylContact O-C 3.57Å; K586-S607 WeakPolarHBondContact O-CA 3.43Å; K586-F608 PolarHBondContact O-N 3.14Å
587I93.4Very high90Very high3 Ų339.8 Ų39.82%0.01519%0.192CC..EExtended strand (participates in β ladder)trans-129.2128.8175.2-62.8179.2000109.3N367 L368 I371 Q384 V385 A386 P585 F589 F608N367-I587 HydrophobicContact CB-CD1 3.84Å; L368-I587 HydrophobicContact CB-CD1 4.45Å; L368-I587 HydrophobicContact CD2-CD1 3.55Å; L368-I587 HydrophobicContact CG-CD1 3.75Å; I371-I587 HydrophobicContact CD1-CD1 3.67Å; I371-I587 HydrophobicContact CD1-CG1 4.02Å; Q384-I587 PolarHBondContact O-N 2.74Å; Q384-I587 VanDerWaalsContact O-N 3.15Å; V385-I587 WeakPolarHBondContact CA-O 3.11Å; V385-I587 HydrophobicContact CG1-CB 4.33Å; V385-I587 HydrophobicContact CG1-CG2 4.32Å; V385-I587 HydrophobicContact CG2-CB 4.45Å; A386-I587 PolarHBondContact N-O 2.87Å; P585-I587 VanDerWaalsContact C-N 3.32Å; I587-F589 HydrophobicContact CG2-CD2 4.28Å; I587-F589 HydrophobicContact CG2-CE2 3.88Å; I587-F589 HydrophobicContact CG2-CZ 4.22Å; I587-F608 WeakPolarHBondContact CA-O 3.33Å; I587-F608 HydrophobicContact CG1-CB 4.4Å; I587-F608 HydrophobicContact CG1-CD1 4.47Å
588L94.5Very high90.1Very high0 Ų039.4 Ų39.40%019%0.19CC..EExtended strand (participates in β ladder)trans-121.9116.5175.5179.362.5000109.6A386 L388 I580 L590 I598 L603 F608 V610A386-L588 HydrophobicContact CB-CD1 4Å; L388-L588 HydrophobicContact CB-CD1 4.47Å; I580-L588 HydrophobicContact CD1-CD1 4.35Å; I580-L588 HydrophobicContact CG2-CD1 4.36Å; L588-L590 HydrophobicContact CD1-CD2 4.37Å; L588-L590 HydrophobicContact CD2-CD2 3.8Å; L588-L590 HydrophobicContact CG-CD2 3.83Å; L588-L590 HydrophobicContact CG-CG 4.43Å; L588-I598 HydrophobicContact CD2-CD1 4.08Å; L588-I598 HydrophobicContact CD2-CG2 4.13Å; L588-L603 HydrophobicContact CD2-CD1 3.89Å; L588-L603 HydrophobicContact CD2-CD2 4.28Å; L588-F608 PolarHBondContact N-O 3.42Å; L588-F608 VanDerWaalsContact N-O 3.12Å; L588-V610 PolarHBondContact O-N 2.68Å
589F96Very high90.3Very high0 Ų037.1 Ų37.10%018%0.182CC..EExtended strand (participates in β ladder)trans-83.8132.3166.5-68.4-79.3000109.8L368 V385 A386 G387 L388 L401 L404 I587 V610 I612 F666 I669L368-F589 HydrophobicContact CD1-CZ 4.36Å; V385-F589 HydrophobicContact CG1-CD2 4.03Å; V385-F589 HydrophobicContact CG1-CE2 3.76Å; A386-F589 PolarHBondContact O-N 2.88Å; G387-F589 CarbonylContact C-O 3.49Å; G387-F589 WeakPolarHBondContact CA-O 3.29Å; L388-F589 PolarHBondContact N-O 2.86Å; L401-F589 HydrophobicContact CD1-CB 3.89Å; L401-F589 HydrophobicContact CD1-CD2 4.36Å; L401-F589 HydrophobicContact CD1-CG 4.21Å; L404-F589 HydrophobicContact CD2-CZ 4.43Å; I587-F589 HydrophobicContact CG2-CD2 4.28Å; I587-F589 HydrophobicContact CG2-CE2 3.88Å; I587-F589 HydrophobicContact CG2-CZ 4.22Å; F589-V610 CarbonylContact C-O 3.57Å; F589-V610 WeakPolarHBondContact CA-O 3.48Å; F589-V610 HydrophobicContact CD1-CB 3.75Å; F589-V610 HydrophobicContact CD1-CG1 3.86Å; F589-V610 HydrophobicContact CD1-CG2 4.44Å; F589-V610 HydrophobicContact CE1-CB 3.92Å; F589-V610 HydrophobicContact CE1-CG1 3.89Å; F589-V610 HydrophobicContact CE1-CG2 4.17Å; F589-I612 HydrophobicContact CD1-CD1 4.34Å; F589-F666 HydrophobicContact CD1-CE1 4.13Å; F589-F666 HydrophobicContact CG-CE1 4.44Å; F589-I669 HydrophobicContact CE1-CD1 4.09Å
590L95.9Very high90.3Very high5 Ų539 Ų393%0.02619%0.187CC..EExtended strand (participates in β ladder)trans-114108.3172.3-58179.9000107.9L388 L588 G592 A593 I609 V610 Y611 I612 L622L388-L590 HydrophobicContact CB-CD2 3.87Å; L388-L590 HydrophobicContact CD2-CD2 4.12Å; L588-L590 HydrophobicContact CD1-CD2 4.37Å; L588-L590 HydrophobicContact CD2-CD2 3.8Å; L588-L590 HydrophobicContact CG-CD2 3.83Å; L588-L590 HydrophobicContact CG-CG 4.43Å; L590-G592 PolarHBondContact O-N 2.8Å; L590-A593 HydrophobicContact CB-CB 4.32Å; L590-A593 HydrophobicContact CD2-CB 4.41Å; L590-I609 HydrophobicContact CD1-CG2 3.7Å; L590-I609 HydrophobicContact CG-CG2 4.07Å; L590-V610 PolarHBondContact N-O 2.86Å; L590-Y611 HydrophobicContact CB-CD2 3.8Å; L590-Y611 HydrophobicContact CB-CG 4.45Å; L590-Y611 HydrophobicContact CD1-CD2 4.26Å; L590-Y611 WeakPolarHBondContact O-CA 3.32Å; L590-I612 PolarHBondContact O-N 3.26Å; L590-L622 HydrophobicContact CD1-CD2 4.34Å
591L96.2Very high90.3Very high6 Ų647.5 Ų47.53%0.03123%0.226CC..EExtended strand (participates in β ladder)trans-95.989177.9-179.758.7000109.2L388 V389 G390 A393 M398 L401 A593 I612 D662 F666L388-L591 PolarHBondContact O-N 2.89Å; V389-L591 HydrophobicContact CG2-CB 4.39Å; V389-L591 HydrophobicContact CG2-CD2 4.38Å; G390-L591 PolarHBondContact N-O 3.05Å; A393-L591 HydrophobicContact CB-CD2 3.82Å; A393-L591 HydrophobicContact CB-CG 4.03Å; M398-L591 HydrophobicContact CG-CD2 4.43Å; L401-L591 HydrophobicContact CD2-CB 4.15Å; L401-L591 HydrophobicContact CD2-CD2 4.13Å; L591-A593 PolarHBondContact O-N 3.14Å; L591-I612 CarbonylContact C-O 3.59Å; L591-I612 WeakPolarHBondContact CA-O 3.49Å; L591-I612 HydrophobicContact CD1-CB 4.33Å; L591-I612 HydrophobicContact CD1-CG2 3.93Å; L591-D662 HydrophobicContact CD1-CB 3.95Å; L591-F666 HydrophobicContact CB-CZ 4.47Å; L591-F666 HydrophobicContact CD1-CE2 3.94Å; L591-F666 HydrophobicContact CD1-CZ 4.11Å; L591-F666 HydrophobicContact CD2-CE2 4.05Å; L591-F666 HydrophobicContact CD2-CZ 4.36Å
592G93.7Very high90.2Very high10 Ų1048.7 Ų48.710%0.10323%0.232CC..SBendtrans62.222.7-178.100000114.9L590 I612L590-G592 PolarHBondContact O-N 2.8Å; G592-I612 PolarHBondContact N-O 3.21Å
593A93.5Very high90.1Very high5 Ų542.5 Ų42.54%0.04120%0.203CC..  trans-86.6110.5-177.400000110.9L388 E416 L590 L591 G619L388-A593 HydrophobicContact CB-CB 4.46Å; L388-A593 HydrophobicContact CD2-CB 3.93Å; L388-A593 HydrophobicContact CG-CB 3.95Å; E416-A593 HydrophobicContact CG-CB 3.81Å; E416-A593 VanDerWaalsContact OE1-C 3.23Å; E416-A593 VanDerWaalsContact OE1-CA 3.31Å; E416-A593 WeakPolarHBondContact OE1-CA 3.33Å; E416-A593 WeakPolarHBondContact OE1-CB 3.18Å; L590-A593 HydrophobicContact CB-CB 4.32Å; L590-A593 HydrophobicContact CD2-CB 4.41Å; L591-A593 PolarHBondContact O-N 3.14Å; A593-G619 WeakPolarHBondContact O-CA 3.33Å
594D90.7Very high90Very high7 Ų740.7 Ų40.74%0.03720%0.197CC..  trans-129.712.3-170.5-73.4-55.5000113.8E416 N596 Y611 D617 A618 G619 C748E416-D594 PolarHBondContact OE1-N 2.92Å; D594-N596 PolarHBondContact O-N 3.3Å; D594-Y611 WeakPolarHBondContact OD1-CE2 3.31Å; D594-Y611 PolarHBondContact OD1-OH 3.48Å; D594-Y611 PolarHBondContact OD2-OH 2.83Å; D594-D617 HydrophobicContact CB-CB 4.37Å; D594-A618 WeakPolarHBondContact O-CB 3.43Å; D594-G619 WeakPolarHBondContact OD1-CA 3.44Å; D594-G619 PolarHBondContact OD1-N 2.9Å; D594-C748 HydrophobicContact CB-CB 4.45Å
595R85.6Confident89.8Confident66 Ų6642.6 Ų42.625%0.24922%0.22CC..SBendtrans-867.3-179.5-71.5-178.9167.3169.84.1115E416 N562 L597E416-R595 WeakPolarHBondContact OE1-CB 3.18Å; E416-R595 PolarHBondContact OE1-N 2.85Å; E416-R595 WeakPolarHBondContact OE2-CG 3.35Å; N562-R595 PolarHBondContact ND2-NH1 2.81Å; N562-R595 VanDerWaalsContact ND2-NH1 3.14Å; N562-R595 PolarHBondContact OD1-NH1 2.85Å; N562-R595 PolarHBondContact OD1-NH2 3.49Å; R595-L597 HydrophobicContact CB-CD1 3.98Å; R595-L597 HydrophobicContact CB-CG 3.83Å; R595-L597 PolarHBondContact O-N 3.06Å; R595-L597 VanDerWaalsContact O-N 3.09Å
596N85.9Confident89.7Confident99 Ų9947.1 Ų47.153%0.52924%0.244SC..  trans57.118.1-179.9-86.4-42.2000115.9D594 I598 A618D594-N596 PolarHBondContact O-N 3.3Å; N596-I598 PolarHBondContact O-N 3.44Å; N596-A618 WeakPolarHBondContact ND2-CB 3.29Å
597L85.2Confident89.6Confident65 Ų6543.4 Ų43.434%0.3423%0.228SC..  trans-69.2-17.4-176.2-58.4174.5000113.7E416 I577 K581 R595E416-L597 HydrophobicContact CB-CD1 4.16Å; E416-L597 WeakPolarHBondContact O-CD1 3.49Å; I577-L597 HydrophobicContact CD1-CB 3.99Å; I577-L597 HydrophobicContact CD1-CD1 3.54Å; I577-L597 HydrophobicContact CD1-CG 4.39Å; K581-L597 VanDerWaalsContact CE-O 3.31Å; K581-L597 WeakPolarHBondContact CE-O 3.29Å; R595-L597 HydrophobicContact CB-CD1 3.98Å; R595-L597 HydrophobicContact CB-CG 3.83Å; R595-L597 PolarHBondContact O-N 3.06Å; R595-L597 VanDerWaalsContact O-N 3.09Å
598I87.1Confident89.7Confident6 Ų644.3 Ų44.33%0.03123%0.232CC..  trans-121.2136.9168.4-58.6-176.9000108.2L388 I577 I580 L588 N596 H602 L603L388-I598 HydrophobicContact CD2-CD1 3.95Å; L388-I598 HydrophobicContact CD2-CG1 4.23Å; I577-I598 HydrophobicContact CG2-CD1 3.93Å; I577-I598 HydrophobicContact CG2-CG1 3.73Å; I580-I598 HydrophobicContact CB-CD1 4.3Å; I580-I598 HydrophobicContact CD1-CD1 4.42Å; I580-I598 HydrophobicContact CG2-CD1 3.73Å; L588-I598 HydrophobicContact CD2-CD1 4.08Å; L588-I598 HydrophobicContact CD2-CG2 4.13Å; N596-I598 PolarHBondContact O-N 3.44Å; I598-H602 HydrophobicContact CG2-CB 4.48Å; I598-L603 HydrophobicContact CG2-CD1 3.99Å; I598-L603 HydrophobicContact CG2-CD2 4.13Å; I598-L603 HydrophobicContact CG2-CG 3.97Å
599T88.4Confident89.7Confident41 Ų4144.3 Ų44.325%0.25223%0.232SC..  trans-129.5162.3171.969.70000109Q601 H602T599-Q601 PolarHBondContact O-N 3.04Å; T599-H602 PolarHBondContact N-ND1 3.28Å; T599-H602 WeakPolarHBondContact O-CB 3.43Å; T599-H602 PolarHBondContact O-N 2.71Å; T599-H602 PolarHBondContact OG1-CE1 3.29Å; T599-H602 PolarHBondContact OG1-ND1 3.03Å
600R87Confident89.7Confident85 Ų8544.3 Ų44.332%0.32123%0.232SC..G310 helixtrans-58.9-21.3-178-67.2-160.4-176.7-124.711.2114.6H602 L603 S607 I609 L622 D624R600-H602 PolarHBondContact O-N 3Å; R600-L603 PolarHBondContact O-N 3.04Å; R600-S607 PolarHBondContact NH1-O 2.79Å; R600-I609 HydrophobicContact CG-CD1 4.05Å; R600-L622 HydrophobicContact CG-CD1 3.84Å; R600-L622 HydrophobicContact CG-CG 4.48Å; R600-L622 VanDerWaalsContact CZ-O 3.31Å; R600-L622 PolarHBondContact NE-O 3.43Å; R600-L622 PolarHBondContact NH2-O 2.88Å; R600-D624 IonicContact CZ-OD1 2.85Å; R600-D624 IonicContact CZ-OD2 3.77Å; R600-D624 IonicContact NH1-OD1 3.42Å; R600-D624 PolarHBondContact NH1-OD1 3.02Å; R600-D624 IonicContact NH1-OD2 2.79Å; R600-D624 PolarHBondContact NH1-OD2 3.25Å; R600-D624 IonicContact NH2-OD1 3.18Å; R600-D624 PolarHBondContact NH2-OD1 3.33Å; R600-D624 IonicContact NH2-OD2 3.45Å; R600-D624 PolarHBondContact NH2-OD2 3.05Å
601Q87.5Confident89.7Confident177 Ų17744.1 Ų44.183%0.82723%0.231SC*.G310 helixtrans-65-25.2173.9-65.1175.1-10.600113.3T599T599-Q601 PolarHBondContact O-N 3.04Å
602H86.8Confident89.8Confident66 Ų6643.8 Ų43.831%0.30623%0.229SC..G310 helixtrans-83.8-20.3178.6-63.992.3000113.1K581 K584 I598 T599 R600K581-H602 HydrophobicContact CG-CB 4.14Å; K584-H602 WeakPolarHBondContact CE-O 3.18Å; I598-H602 HydrophobicContact CG2-CB 4.48Å; T599-H602 PolarHBondContact N-ND1 3.28Å; T599-H602 WeakPolarHBondContact O-CB 3.43Å; T599-H602 PolarHBondContact O-N 2.71Å; T599-H602 PolarHBondContact OG1-CE1 3.29Å; T599-H602 PolarHBondContact OG1-ND1 3.03Å; R600-H602 PolarHBondContact O-N 3Å
603L87.5Confident89.9Confident9 Ų943.4 Ų43.45%0.04723%0.225CC..SBendtrans-97.2-173.5-174.4-62.1175.1000111.2I580 P585 L588 I598 R600 I609I580-L603 HydrophobicContact CG2-CD2 4.43Å; P585-L603 HydrophobicContact CG-CD2 4.43Å; L588-L603 HydrophobicContact CD2-CD1 3.89Å; L588-L603 HydrophobicContact CD2-CD2 4.28Å; I598-L603 HydrophobicContact CG2-CD1 3.99Å; I598-L603 HydrophobicContact CG2-CD2 4.13Å; I598-L603 HydrophobicContact CG2-CG 3.97Å; R600-L603 PolarHBondContact O-N 3.04Å; L603-I609 HydrophobicContact CD1-CD1 3.74Å; L603-I609 HydrophobicContact CD1-CG1 4.18Å
604A85.5Confident90Very high23 Ų2343.6 Ų43.619%0.1923%0.225CC..  trans-83.1153.1168.300000110.2D606 S607A604-D606 VanDerWaalsContact CB-OD1 3.27Å; A604-D606 WeakPolarHBondContact CB-OD1 3.29Å; A604-D606 PolarHBondContact O-N 2.73Å; A604-S607 WeakPolarHBondContact CB-OG 3.35Å; A604-S607 PolarHBondContact N-OG 3.03Å; A604-S607 VanDerWaalsContact O-CB 3.29Å; A604-S607 WeakPolarHBondContact O-CB 3.43Å; A604-S607 PolarHBondContact O-N 3.1Å; A604-S607 PolarHBondContact O-OG 2.7Å
605P84.1Confident90.2Very high141 Ų14143.4 Ų43.492%0.91622%0.224SC*.THydrogen-bonded Turntrans-61.5-24.8177.1-23.735000113.9
606D87.3Confident90.5Very high94 Ų9441.8 Ų41.850%0.50323%0.228SC..THydrogen-bonded Turntrans-92.94175.164.3-47.8000113.9K586 A604 F608K586-D606 IonicContact NZ-OD2 3.61Å; K586-D606 PolarHBondContact NZ-OD2 2.8Å; A604-D606 VanDerWaalsContact CB-OD1 3.27Å; A604-D606 WeakPolarHBondContact CB-OD1 3.29Å; A604-D606 PolarHBondContact O-N 2.73Å; D606-F608 PolarHBondContact O-N 3.41Å
607S90.6Very high90.7Very high4 Ų438.8 Ų38.83%0.02821%0.212CC..  trans-66.8119.4178.7-68.20000112P585 K586 R600 A604P585-S607 PolarHBondContact O-OG 3.15Å; K586-S607 CarbonylContact O-C 3.57Å; K586-S607 WeakPolarHBondContact O-CA 3.43Å; R600-S607 PolarHBondContact NH1-O 2.79Å; A604-S607 WeakPolarHBondContact CB-OG 3.35Å; A604-S607 PolarHBondContact N-OG 3.03Å; A604-S607 VanDerWaalsContact O-CB 3.29Å; A604-S607 WeakPolarHBondContact O-CB 3.43Å; A604-S607 PolarHBondContact O-N 3.1Å; A604-S607 PolarHBondContact O-OG 2.7Å
608F94.2Very high91Very high21 Ų2136.2 Ų36.29%0.09220%0.2CC..EExtended strand (participates in β ladder)trans-91121.5179.1179.3-106.7000110.8I364 N367 K586 I587 L588 D606 V610 D624 V625I364-F608 HydrophobicContact CG1-CE1 4.21Å; N367-F608 HydrophobicContact CB-CD1 3.99Å; N367-F608 HydrophobicContact CB-CE1 4.3Å; N367-F608 HydrophobicContact CB-CG 4.39Å; K586-F608 PolarHBondContact O-N 3.14Å; I587-F608 WeakPolarHBondContact CA-O 3.33Å; I587-F608 HydrophobicContact CG1-CB 4.4Å; I587-F608 HydrophobicContact CG1-CD1 4.47Å; L588-F608 PolarHBondContact N-O 3.42Å; L588-F608 VanDerWaalsContact N-O 3.12Å; D606-F608 PolarHBondContact O-N 3.41Å; F608-V610 HydrophobicContact CD1-CG2 3.86Å; F608-V610 HydrophobicContact CE1-CG2 3.46Å; F608-V610 VanDerWaalsContact CE1-CG2 3.46Å; F608-V610 HydrophobicContact CZ-CG2 4.29Å; F608-D624 HydrophobicContact CD2-CB 3.66Å; F608-D624 HydrophobicContact CE2-CB 3.69Å; F608-V625 HydrophobicContact CE2-CG2 4.16Å; F608-V625 HydrophobicContact CZ-CB 4.29Å; F608-V625 HydrophobicContact CZ-CG2 3.64Å
609I94.9Very high91.2Very high0 Ų036.1 Ų36.10%020%0.201CC..EExtended strand (participates in β ladder)trans-107.9124.6-171.8-56.5175.5000110.6L590 R600 L603 L622 A623 D624 V625L590-I609 HydrophobicContact CD1-CG2 3.7Å; L590-I609 HydrophobicContact CG-CG2 4.07Å; R600-I609 HydrophobicContact CG-CD1 4.05Å; L603-I609 HydrophobicContact CD1-CD1 3.74Å; L603-I609 HydrophobicContact CD1-CG1 4.18Å; I609-L622 HydrophobicContact CD1-CD2 4.07Å; I609-L622 HydrophobicContact CD1-CG 3.88Å; I609-A623 HydrophobicContact CG2-CB 4.1Å; I609-D624 PolarHBondContact N-OD2 3.43Å; I609-D624 PolarHBondContact O-N 2.73Å; I609-V625 PolarHBondContact O-N 3.31Å; I609-V625 VanDerWaalsContact O-N 3.1Å
610V96.3Very high91.4Very high0 Ų034.4 Ų34.40%019%0.191CC..EExtended strand (participates in β ladder)trans-114.6108.3179-178.20000109.3I364 L588 F589 L590 F608 I612 V625 L627I364-V610 HydrophobicContact CD1-CG1 3.98Å; I364-V610 HydrophobicContact CD1-CG2 4.45Å; I364-V610 HydrophobicContact CG1-CG1 4.49Å; I364-V610 HydrophobicContact CG1-CG2 4.08Å; L588-V610 PolarHBondContact O-N 2.68Å; F589-V610 CarbonylContact C-O 3.57Å; F589-V610 WeakPolarHBondContact CA-O 3.48Å; F589-V610 HydrophobicContact CD1-CB 3.75Å; F589-V610 HydrophobicContact CD1-CG1 3.86Å; F589-V610 HydrophobicContact CD1-CG2 4.44Å; F589-V610 HydrophobicContact CE1-CB 3.92Å; F589-V610 HydrophobicContact CE1-CG1 3.89Å; F589-V610 HydrophobicContact CE1-CG2 4.17Å; L590-V610 PolarHBondContact N-O 2.86Å; F608-V610 HydrophobicContact CD1-CG2 3.86Å; F608-V610 HydrophobicContact CE1-CG2 3.46Å; F608-V610 VanDerWaalsContact CE1-CG2 3.46Å; F608-V610 HydrophobicContact CZ-CG2 4.29Å; V610-I612 HydrophobicContact CG1-CG1 4.42Å; V610-V625 HydrophobicContact CG1-CG1 4.14Å; V610-V625 HydrophobicContact CG2-CB 4.44Å; V610-L627 HydrophobicContact CG1-CD1 4.23Å
611Y96.7Very high91.6Very high1 Ų137.2 Ų37.20%0.00421%0.211CC..EExtended strand (participates in β ladder)trans-93.4127.2174.2179.2-84.3000110.7L341 L590 D594 H615 A620 V625 V626 L627L341-Y611 HydrophobicContact CD1-CD1 4.11Å; L341-Y611 HydrophobicContact CD1-CE1 3.68Å; L590-Y611 HydrophobicContact CB-CD2 3.8Å; L590-Y611 HydrophobicContact CB-CG 4.45Å; L590-Y611 HydrophobicContact CD1-CD2 4.26Å; L590-Y611 WeakPolarHBondContact O-CA 3.32Å; D594-Y611 WeakPolarHBondContact OD1-CE2 3.31Å; D594-Y611 PolarHBondContact OD1-OH 3.48Å; D594-Y611 PolarHBondContact OD2-OH 2.83Å; Y611-H615 PolarHBondContact OH-O 3.31Å; Y611-A620 HydrophobicContact CD1-CB 3.96Å; Y611-A620 HydrophobicContact CE1-CB 3.99Å; Y611-A620 HydrophobicContact CG-CB 4.32Å; Y611-V625 PolarHBondContact N-O 3.43Å; Y611-V626 HydrophobicContact CD1-CG1 4.19Å; Y611-V626 CarbonylContact O-C 3.54Å; Y611-V626 WeakPolarHBondContact O-CA 3.41Å; Y611-L627 PolarHBondContact O-N 3.41Å
612I96.9Very high91.7Very high0 Ų030.3 Ų30.30%018%0.18CC..EExtended strand (participates in β ladder)trans-118114.9172.8-67.7159.5000106.5F589 L590 L591 G592 V610 L627 D662 I665 F666 I669F589-I612 HydrophobicContact CD1-CD1 4.34Å; L590-I612 PolarHBondContact O-N 3.26Å; L591-I612 CarbonylContact C-O 3.59Å; L591-I612 WeakPolarHBondContact CA-O 3.49Å; L591-I612 HydrophobicContact CD1-CB 4.33Å; L591-I612 HydrophobicContact CD1-CG2 3.93Å; G592-I612 PolarHBondContact N-O 3.21Å; V610-I612 HydrophobicContact CG1-CG1 4.42Å; I612-L627 HydrophobicContact CD1-CD1 4.34Å; I612-L627 HydrophobicContact CG1-CB 3.9Å; I612-L627 HydrophobicContact CG1-CD1 3.92Å; I612-L627 HydrophobicContact CG1-CG 4.4Å; I612-D662 HydrophobicContact CG2-CB 4.04Å; I612-I665 HydrophobicContact CD1-CG2 3.85Å; I612-I665 HydrophobicContact CG1-CG2 4.09Å; I612-I665 HydrophobicContact CG2-CD1 3.78Å; I612-F666 HydrophobicContact CD1-CD1 3.99Å; I612-F666 HydrophobicContact CD1-CE1 3.29Å; I612-F666 HydrophobicContact CD1-CE2 4.29Å; I612-F666 HydrophobicContact CD1-CZ 3.47Å; I612-F666 VanDerWaalsContact CD1-CZ 3.47Å; I612-I669 HydrophobicContact CD1-CD1 4.39Å
613G95.5Very high92Very high2 Ų227.3 Ų27.32%0.02117%0.166CC..EExtended strand (participates in β ladder)trans-176.2171.8-176.700000112.6L341 L627 G629L341-G613 VanDerWaalsContact CD1-O 3.3Å; L341-G613 WeakPolarHBondContact CD1-O 3.39Å; G613-L627 PolarHBondContact N-O 2.96Å; G613-G629 PolarHBondContact O-N 2.94Å
614H95.7Very high92.4Very high9 Ų927.9 Ų27.94%0.04217%0.17CC..SBendtrans-97.2-16.2-171.647.370.9000114.4R340 L341 F392 A631R340-H614 WeakPolarHBondContact CA-O 3.44Å; R340-H614 WeakPolarHBondContact CD-O 3.42Å; R340-H614 PolarHBondContact NE-O 3.32Å; L341-H614 PolarHBondContact N-O 2.71Å; F392-H614 AromaticContact CD2-CE1 3.86Å; F392-H614 AromaticContact CD2-NE2 3.84Å; H614-A631 HydrophobicContact CB-CB 4.27Å
615H96.1Very high92.9Very high2 Ų226.8 Ų26.81%0.00916%0.161CC..BIsolated β-bridgetrans-122.4146.5-178.2-82.3100.9000112.6G335 R338 Q339 L341 Y611 D617 C748 I749 A752G335-H615 PolarHBondContact O-CE1 2.99Å; G335-H615 PolarHBondContact O-NE2 3.33Å; R338-H615 PolarHBondContact O-CD2 3.3Å; R338-H615 PolarHBondContact O-NE2 3.06Å; Q339-H615 WeakPolarHBondContact O-CA 3.49Å; L341-H615 VanDerWaalsContact CD1-O 3.3Å; L341-H615 WeakPolarHBondContact CD1-O 3.47Å; Y611-H615 PolarHBondContact OH-O 3.31Å; H615-D617 PolarHBondContact O-N 3.31Å; H615-C748 HydrophobicContact CB-CB 3.97Å; H615-I749 WeakPolarHBondContact CE1-CG1 3.48Å; H615-A752 VanDerWaalsContact NE2-CB 3.27Å; H615-A752 WeakPolarHBondContact NE2-CB 3.32Å
616G90.6Very high93.5Very high33 Ų3320.1 Ų20.134%0.3412%0.117SC..  trans-87.283.2173.800000111.4Q339Q339-G616 PolarHBondContact O-N 2.67Å
617D91Very high93.9Very high36 Ų3615.7 Ų15.719%0.1939%0.093CC..SBendtrans-125-163.1-176.9-166.96.6000110.7D594 H615 G619 A620 L621 C748 R751D594-D617 HydrophobicContact CB-CB 4.37Å; H615-D617 PolarHBondContact O-N 3.31Å; D617-G619 VanDerWaalsContact C-N 3.34Å; D617-G619 PolarHBondContact O-N 3.5Å; D617-A620 WeakPolarHBondContact O-CB 3.3Å; D617-A620 PolarHBondContact O-N 3.48Å; D617-L621 PolarHBondContact O-N 3.27Å; D617-C748 HydrophobicContact CB-CB 4.05Å; D617-C748 VanDerWaalsContact OD2-CB 3.29Å; D617-C748 WeakPolarHBondContact OD2-CB 3.46Å; D617-R751 IonicContact OD1-NE 2.65Å; D617-R751 IonicContact OD2-CZ 2.7Å; D617-R751 IonicContact OD2-NE 3Å; D617-R751 PolarHBondContact OD2-NE 2.89Å; D617-R751 IonicContact OD2-NH2 2.91Å; D617-R751 PolarHBondContact OD2-NH2 2.88Å
618A91.7Very high94.2Very high10 Ų1015.5 Ų15.58%0.0839%0.092CC..Hα-helixtrans-45.4-45.7-175.800000115.9D594 N596 L621 L622D594-A618 WeakPolarHBondContact O-CB 3.43Å; N596-A618 WeakPolarHBondContact ND2-CB 3.29Å; A618-L621 PolarHBondContact O-N 3.09Å; A618-L622 PolarHBondContact O-N 3.11Å
619G90.5Very high94.3Very high4 Ų414.5 Ų14.54%0.0419%0.088CC..Hα-helixtrans-68.7-36.3179.500000112.6A593 D594 D617 L622 A623A593-G619 WeakPolarHBondContact O-CA 3.33Å; D594-G619 WeakPolarHBondContact OD1-CA 3.44Å; D594-G619 PolarHBondContact OD1-N 2.9Å; D617-G619 VanDerWaalsContact C-N 3.34Å; D617-G619 PolarHBondContact O-N 3.5Å; G619-L622 PolarHBondContact O-N 3.33Å; G619-A623 PolarHBondContact O-N 3.19Å
620A92.2Very high94.4Very high5 Ų514.5 Ų14.54%0.0419%0.088CC..Hα-helixtrans-68.8-36.4174.900000112Y611 D617 L622 A623 V626Y611-A620 HydrophobicContact CD1-CB 3.96Å; Y611-A620 HydrophobicContact CE1-CB 3.99Å; Y611-A620 HydrophobicContact CG-CB 4.32Å; D617-A620 WeakPolarHBondContact O-CB 3.3Å; D617-A620 PolarHBondContact O-N 3.48Å; A620-L622 VanDerWaalsContact C-N 3.28Å; A620-L622 PolarHBondContact O-N 3.28Å; A620-A623 PolarHBondContact O-N 3.5Å; A620-V626 HydrophobicContact CB-CG1 4.38Å; A620-V626 HydrophobicContact CB-CG2 4.16Å
621L91.6Very high94.4Very high145 Ų14514.5 Ų14.576%0.7599%0.088SC*.Hα-helixtrans-65.8-29.3174.1-70173.2000113.1D617 A618D617-L621 PolarHBondContact O-N 3.27Å; A618-L621 PolarHBondContact O-N 3.09Å
622L90.9Very high94.4Very high31 Ų3114.5 Ų14.516%0.1629%0.088CC..Hα-helixtrans-74.6-26.8179.3-167.368.5000112.7L590 R600 I609 A618 G619 A620L590-L622 HydrophobicContact CD1-CD2 4.34Å; R600-L622 HydrophobicContact CG-CD1 3.84Å; R600-L622 HydrophobicContact CG-CG 4.48Å; R600-L622 VanDerWaalsContact CZ-O 3.31Å; R600-L622 PolarHBondContact NE-O 3.43Å; R600-L622 PolarHBondContact NH2-O 2.88Å; I609-L622 HydrophobicContact CD1-CD2 4.07Å; I609-L622 HydrophobicContact CD1-CG 3.88Å; A618-L622 PolarHBondContact O-N 3.11Å; G619-L622 PolarHBondContact O-N 3.33Å; A620-L622 VanDerWaalsContact C-N 3.28Å; A620-L622 PolarHBondContact O-N 3.28Å
623A93.1Very high94.4Very high3 Ų314.5 Ų14.53%0.0259%0.088CC..  trans-78.6159.6-160.800000116.1I609 G619 A620 V625 V626I609-A623 HydrophobicContact CG2-CB 4.1Å; G619-A623 PolarHBondContact O-N 3.19Å; A620-A623 PolarHBondContact O-N 3.5Å; A623-V625 WeakPolarHBondContact CB-O 3.01Å; A623-V626 HydrophobicContact CB-CG2 3.97Å
624D94.7Very high94.4Very high22 Ų2214.8 Ų14.812%0.1189%0.089CC..SBendtrans-93.9-27167.9-61.5-62000111.8K347 R600 F608 I609K347-D624 WeakPolarHBondContact CB-O 3.33Å; K347-D624 WeakPolarHBondContact CD-OD1 3.38Å; K347-D624 PolarHBondContact N-O 3.12Å; K347-D624 IonicContact NZ-OD1 3.63Å; R600-D624 IonicContact CZ-OD1 2.85Å; R600-D624 IonicContact CZ-OD2 3.77Å; R600-D624 IonicContact NH1-OD1 3.42Å; R600-D624 PolarHBondContact NH1-OD1 3.02Å; R600-D624 IonicContact NH1-OD2 2.79Å; R600-D624 PolarHBondContact NH1-OD2 3.25Å; R600-D624 IonicContact NH2-OD1 3.18Å; R600-D624 PolarHBondContact NH2-OD1 3.33Å; R600-D624 IonicContact NH2-OD2 3.45Å; R600-D624 PolarHBondContact NH2-OD2 3.05Å; F608-D624 HydrophobicContact CD2-CB 3.66Å; F608-D624 HydrophobicContact CE2-CB 3.69Å; I609-D624 PolarHBondContact N-OD2 3.43Å; I609-D624 PolarHBondContact O-N 2.73Å
625V96Very high94.4Very high0 Ų014.8 Ų14.80%09%0.089CC..EExtended strand (participates in β ladder)trans-132.9135.5171.9161.20000109.6F345 L346 V360 I364 F608 I609 V610 Y611 A623 L627F345-V625 WeakPolarHBondContact O-CA 3.25Å; L346-V625 HydrophobicContact CD1-CG2 3.6Å; V360-V625 HydrophobicContact CG1-CB 4.3Å; V360-V625 HydrophobicContact CG1-CG1 3.26Å; V360-V625 HydrophobicContact CG1-CG2 4Å; I364-V625 HydrophobicContact CD1-CG1 4.1Å; I364-V625 HydrophobicContact CG1-CG1 4.4Å; F608-V625 HydrophobicContact CE2-CG2 4.16Å; F608-V625 HydrophobicContact CZ-CB 4.29Å; F608-V625 HydrophobicContact CZ-CG2 3.64Å; I609-V625 PolarHBondContact O-N 3.31Å; I609-V625 VanDerWaalsContact O-N 3.1Å; V610-V625 HydrophobicContact CG1-CG1 4.14Å; V610-V625 HydrophobicContact CG2-CB 4.44Å; Y611-V625 PolarHBondContact N-O 3.43Å; A623-V625 WeakPolarHBondContact CB-O 3.01Å; V625-L627 HydrophobicContact CG1-CD2 4.13Å; V625-L627 HydrophobicContact CG1-CG 3.94Å
626V96.6Very high94.4Very high1 Ų117 Ų171%0.00610%0.1CC..EExtended strand (participates in β ladder)trans-119.8127.7173.4176.30000108.9L341 P344 F345 L352 Y611 A620 A623L341-V626 HydrophobicContact CD1-CG1 3.45Å; L341-V626 VanDerWaalsContact CD1-CG1 3.45Å; L341-V626 HydrophobicContact CD2-CG1 3.68Å; L341-V626 HydrophobicContact CG-CG1 4.14Å; P344-V626 WeakPolarHBondContact CA-O 3.37Å; F345-V626 HydrophobicContact CB-CB 4.22Å; F345-V626 HydrophobicContact CD2-CB 4.46Å; F345-V626 HydrophobicContact CD2-CG1 4.46Å; F345-V626 PolarHBondContact N-O 2.97Å; F345-V626 PolarHBondContact O-N 3.24Å; L352-V626 HydrophobicContact CD1-CG2 3.87Å; L352-V626 HydrophobicContact CD2-CG2 4.14Å; Y611-V626 HydrophobicContact CD1-CG1 4.19Å; Y611-V626 CarbonylContact O-C 3.54Å; Y611-V626 WeakPolarHBondContact O-CA 3.41Å; A620-V626 HydrophobicContact CB-CG1 4.38Å; A620-V626 HydrophobicContact CB-CG2 4.16Å; A623-V626 HydrophobicContact CB-CG2 3.97Å
627L96.9Very high94.7Very high0 Ų015.5 Ų15.50%09%0.085CC..EExtended strand (participates in β ladder)trans-117.5127.7-179.7-67-178.4000110.5P344 W357 V360 I364 V610 Y611 I612 G613 V625 G629 I665 I669P344-L627 HydrophobicContact CB-CD2 4.1Å; W357-L627 HydrophobicContact CE3-CD2 4.11Å; W357-L627 HydrophobicContact CH2-CB 4.1Å; W357-L627 HydrophobicContact CH2-CD2 4Å; W357-L627 HydrophobicContact CH2-CG 4.45Å; W357-L627 HydrophobicContact CZ3-CB 4.4Å; W357-L627 HydrophobicContact CZ3-CD1 4.08Å; W357-L627 HydrophobicContact CZ3-CD2 3.6Å; W357-L627 HydrophobicContact CZ3-CG 4.25Å; V360-L627 HydrophobicContact CB-CD2 4.35Å; V360-L627 HydrophobicContact CG1-CD2 3.53Å; V360-L627 HydrophobicContact CG1-CG 4.46Å; I364-L627 HydrophobicContact CD1-CD1 3.8Å; V610-L627 HydrophobicContact CG1-CD1 4.23Å; Y611-L627 PolarHBondContact O-N 3.41Å; I612-L627 HydrophobicContact CD1-CD1 4.34Å; I612-L627 HydrophobicContact CG1-CB 3.9Å; I612-L627 HydrophobicContact CG1-CD1 3.92Å; I612-L627 HydrophobicContact CG1-CG 4.4Å; G613-L627 PolarHBondContact N-O 2.96Å; V625-L627 HydrophobicContact CG1-CD2 4.13Å; V625-L627 HydrophobicContact CG1-CG 3.94Å; L627-G629 PolarHBondContact O-N 2.98Å; L627-I665 HydrophobicContact CB-CG2 4.47Å; L627-I665 HydrophobicContact CD1-CG2 3.51Å; L627-I669 HydrophobicContact CD1-CD1 4.33Å
628P96.9Very high95Very high0 Ų013.8 Ų13.80%08%0.076CC..EExtended strand (participates in β ladder)trans-75.5110-175.831-35.5000111.1L341 P344 W357 G659 R660L341-P628 HydrophobicContact CB-CB 3.98Å; L341-P628 WeakPolarHBondContact O-CB 3.44Å; P344-P628 HydrophobicContact CG-CG 4.39Å; W357-P628 HydrophobicContact CZ2-CG 3.87Å; P628-G659 VanDerWaalsContact O-CA 3.29Å; P628-G659 WeakPolarHBondContact O-CA 3.49Å; P628-R660 PolarHBondContact O-N 2.83Å
629G95.9Very high95.2Very high0 Ų013.6 Ų13.60%07%0.073CC..  trans-90.4178.1177.300000114.5G613 L627 R660 D662G613-G629 PolarHBondContact O-N 2.94Å; L627-G629 PolarHBondContact O-N 2.98Å; G629-R660 CarbonylContact C-O 3.54Å; G629-R660 WeakPolarHBondContact CA-O 3.17Å; G629-D662 WeakPolarHBondContact CA-OD1 3.36Å
630A96.5Very high95.5Very high0 Ų013.5 Ų13.50%07%0.072CC..  trans-101132.9-17900000111.9E634 K635 P655 R660 D662A630-E634 HydrophobicContact CB-CB 4.15Å; A630-K635 HydrophobicContact CB-CB 4.41Å; A630-K635 HydrophobicContact CB-CD 4.21Å; A630-K635 HydrophobicContact CB-CG 4.47Å; A630-K635 WeakPolarHBondContact O-CE 3.44Å; A630-K635 PolarHBondContact O-NZ 3.32Å; A630-P655 HydrophobicContact CB-CG 3.93Å; A630-R660 PolarHBondContact N-O 3.02Å; A630-R660 VanDerWaalsContact N-O 3.14Å; A630-D662 PolarHBondContact N-OD1 3.25Å
631A96.8Very high95.7Very high0 Ų013.4 Ų13.40%07%0.071CC..  trans-72.7164.3170.600000111.5L336 H614 T633 E634L336-A631 HydrophobicContact CD2-CB 3.73Å; H614-A631 HydrophobicContact CB-CB 4.27Å; A631-T633 PolarHBondContact O-N 2.95Å; A631-T633 VanDerWaalsContact O-N 3.15Å; A631-E634 HydrophobicContact CB-CG 4.14Å; A631-E634 PolarHBondContact N-OE2 2.66Å; A631-E634 WeakPolarHBondContact O-CA 3.48Å; A631-E634 VanDerWaalsContact O-CB 3.3Å; A631-E634 WeakPolarHBondContact O-CB 3.32Å; A631-E634 PolarHBondContact O-N 3.06Å
632Y96.4Very high95.9Very high1 Ų16.5 Ų6.50%0.0044%0.035CC..G310 helixtrans-58.6-29.4-176.473.4-84.7000114.5V292 I300 I312 L336 E634 I749V292-Y632 HydrophobicContact CB-CG 4.5Å; V292-Y632 HydrophobicContact CG1-CD2 4.42Å; V292-Y632 HydrophobicContact CG1-CG 4.3Å; V292-Y632 HydrophobicContact CG2-CD1 3.41Å; V292-Y632 VanDerWaalsContact CG2-CD1 3.41Å; V292-Y632 HydrophobicContact CG2-CD2 3.92Å; V292-Y632 HydrophobicContact CG2-CE1 3.96Å; V292-Y632 HydrophobicContact CG2-CE2 4.42Å; V292-Y632 HydrophobicContact CG2-CG 3.39Å; I300-Y632 HydrophobicContact CD1-CE2 4.14Å; I312-Y632 VanDerWaalsContact CD1-OH 3.25Å; I312-Y632 WeakPolarHBondContact CD1-OH 3.26Å; L336-Y632 HydrophobicContact CD1-CE1 4.21Å; L336-Y632 HydrophobicContact CD2-CD1 4.47Å; L336-Y632 HydrophobicContact CD2-CE1 4.1Å; Y632-E634 PolarHBondContact O-N 3.5Å; Y632-I749 HydrophobicContact CD1-CD1 4.02Å; Y632-I749 HydrophobicContact CE1-CD1 3.95Å
633T96.8Very high96Very high1 Ų15.1 Ų5.11%0.0063%0.027CC..G310 helixtrans-76.5-2.2173.458.60000114V302 V309 L336 A631 A652 V653V302-T633 HydrophobicContact CG1-CG2 4.43Å; V302-T633 HydrophobicContact CG2-CG2 4.22Å; V309-T633 HydrophobicContact CG2-CG2 4.47Å; L336-T633 HydrophobicContact CD1-CG2 3.83Å; A631-T633 PolarHBondContact O-N 2.95Å; A631-T633 VanDerWaalsContact O-N 3.15Å; T633-A652 WeakPolarHBondContact O-CB 3.46Å; T633-A652 PolarHBondContact O-N 3.18Å; T633-V653 PolarHBondContact O-N 2.87Å; T633-V653 VanDerWaalsContact O-N 3.14Å
634E96.7Very high96Very high8 Ų85.1 Ų5.14%0.0373%0.028CC..G310 helixtrans-118.88.6-168.8-53.9177.1160.700113.7R340 A630 A631 Y632 L651 V653 P655 P656R340-E634 IonicContact CZ-OE1 3.85Å; R340-E634 IonicContact CZ-OE2 2.66Å; R340-E634 IonicContact NH1-OE1 3.16Å; R340-E634 PolarHBondContact NH1-OE1 2.87Å; R340-E634 IonicContact NH1-OE2 3.05Å; R340-E634 IonicContact NH2-OE1 2.67Å; R340-E634 PolarHBondContact NH2-OE1 2.77Å; R340-E634 IonicContact NH2-OE2 2.96Å; R340-E634 PolarHBondContact NH2-OE2 2.89Å; A630-E634 HydrophobicContact CB-CB 4.15Å; A631-E634 HydrophobicContact CB-CG 4.14Å; A631-E634 PolarHBondContact N-OE2 2.66Å; A631-E634 WeakPolarHBondContact O-CA 3.48Å; A631-E634 VanDerWaalsContact O-CB 3.3Å; A631-E634 WeakPolarHBondContact O-CB 3.32Å; A631-E634 PolarHBondContact O-N 3.06Å; Y632-E634 PolarHBondContact O-N 3.5Å; E634-L651 VanDerWaalsContact O-CD1 3.29Å; E634-L651 WeakPolarHBondContact O-CD1 3.06Å; E634-V653 VanDerWaalsContact CA-O 3.25Å; E634-V653 WeakPolarHBondContact CA-O 2.96Å; E634-V653 HydrophobicContact CG-CG2 3.78Å; E634-P655 HydrophobicContact CB-CG 3.88Å; E634-P656 WeakPolarHBondContact OE1-CD 3.48Å
635K95.8Very high96.1Very high8 Ų84.5 Ų4.54%0.0352%0.024CC..SBendtrans-145.8142.1-179.851.3-175.3167-175.40111.8D394 A630 A637 Y639 T649 E661 D662D394-K635 WeakPolarHBondContact OD1-CE 3.41Å; D394-K635 IonicContact OD1-NZ 2.79Å; D394-K635 PolarHBondContact OD1-NZ 3.27Å; A630-K635 HydrophobicContact CB-CB 4.41Å; A630-K635 HydrophobicContact CB-CD 4.21Å; A630-K635 HydrophobicContact CB-CG 4.47Å; A630-K635 WeakPolarHBondContact O-CE 3.44Å; A630-K635 PolarHBondContact O-NZ 3.32Å; K635-A637 HydrophobicContact CB-CB 4.16Å; K635-A637 HydrophobicContact CD-CB 3.92Å; K635-A637 HydrophobicContact CG-CB 3.74Å; K635-A637 PolarHBondContact O-N 2.97Å; K635-Y639 WeakPolarHBondContact CE-OH 3.45Å; K635-T649 PolarHBondContact O-OG1 2.67Å; K635-E661 HydrophobicContact CB-CG 4.04Å; K635-D662 IonicContact NZ-OD2 2.73Å; K635-D662 PolarHBondContact NZ-OD2 2.92Å
636D95.8Very high96.1Very high48 Ų484.5 Ų4.526%0.2572%0.024SC..  trans-80.887.7166.6-85.8-63.6000108.4Q648 T649 R650 L651 L682 R686D636-Q648 PolarHBondContact OD1-NE2 3.32Å; D636-T649 WeakPolarHBondContact CA-O 3.25Å; D636-R650 WeakPolarHBondContact OD1-CA 3.4Å; D636-R650 WeakPolarHBondContact OD1-CD 3.4Å; D636-R650 IonicContact OD1-NH1 2.87Å; D636-R650 PolarHBondContact OD1-NH1 2.9Å; D636-L651 WeakPolarHBondContact OD2-CB 3.36Å; D636-L682 HydrophobicContact CB-CD2 3.97Å; D636-L682 WeakPolarHBondContact O-CD2 3.42Å; D636-R686 PolarHBondContact O-NH2 2.8Å
637A96.3Very high96.1Very high2 Ų24.5 Ų4.52%0.0172%0.024CC..  trans-134157.4-164.400000113D394 K635 Y639 Q648 T649D394-A637 HydrophobicContact CB-CB 3.62Å; K635-A637 HydrophobicContact CB-CB 4.16Å; K635-A637 HydrophobicContact CD-CB 3.92Å; K635-A637 HydrophobicContact CG-CB 3.74Å; K635-A637 PolarHBondContact O-N 2.97Å; A637-Y639 HydrophobicContact CB-CE2 4.24Å; A637-Q648 CarbonylContact O-C 3.41Å; A637-Q648 VanDerWaalsContact O-CA 3.31Å; A637-Q648 WeakPolarHBondContact O-CA 3.11Å; A637-T649 PolarHBondContact N-O 2.7Å; A637-T649 PolarHBondContact N-OG1 2.71Å; A637-T649 VanDerWaalsContact N-OG1 3.11Å; A637-T649 PolarHBondContact O-N 3.48Å; A637-T649 PolarHBondContact O-OG1 3.33Å
638I97Very high96Very high0 Ų05.8 Ų5.80%03%0.03CC..EExtended strand (participates in β ladder)trans-101.1132.2-175.9-59.5171000110.6A395 E396 R686 L696 L697 F699A395-I638 HydrophobicContact CB-CB 4.07Å; A395-I638 HydrophobicContact CB-CG2 4.15Å; A395-I638 PolarHBondContact N-O 3.21Å; E396-I638 WeakPolarHBondContact OE2-CB 3.43Å; E396-I638 PolarHBondContact OE2-N 3.09Å; I638-R686 HydrophobicContact CD1-CG 3.92Å; I638-L696 HydrophobicContact CG2-CB 4.49Å; I638-L696 WeakPolarHBondContact CG2-O 3.42Å; I638-L697 HydrophobicContact CD1-CD2 3.85Å; I638-F699 HydrophobicContact CD1-CE1 3.79Å; I638-F699 HydrophobicContact CD1-CZ 3.71Å; I638-F699 HydrophobicContact CG1-CE1 3.75Å; I638-F699 HydrophobicContact CG1-CZ 3.97Å; I638-F699 HydrophobicContact CG2-CE1 4.21Å
639Y97.1Very high96Very high6 Ų65.8 Ų5.82%0.0243%0.03CC..EExtended strand (participates in β ladder)trans-125.2156.5169.6-67-91.8000109.4V292 F392 A393 D394 A563 K635 A637 Q647 T649V292-Y639 HydrophobicContact CG1-CD1 3.95Å; V292-Y639 HydrophobicContact CG1-CD2 4.08Å; V292-Y639 HydrophobicContact CG1-CE1 3.83Å; V292-Y639 HydrophobicContact CG1-CE2 3.96Å; V292-Y639 HydrophobicContact CG1-CG 4.08Å; F392-Y639 WeakPolarHBondContact O-CE1 3.23Å; F392-Y639 PolarHBondContact O-OH 3.44Å; A393-Y639 WeakPolarHBondContact O-CE1 3.41Å; D394-Y639 HydrophobicContact CB-CE1 4.35Å; D394-Y639 HydrophobicContact CB-CE2 4.12Å; A563-Y639 HydrophobicContact CB-CD1 4.26Å; K635-Y639 WeakPolarHBondContact CE-OH 3.45Å; A637-Y639 HydrophobicContact CB-CE2 4.24Å; Y639-Q647 PolarHBondContact N-O 3.08Å; Y639-Q647 PolarHBondContact O-N 2.84Å; Y639-Q647 VanDerWaalsContact O-O 3.12Å; Y639-T649 HydrophobicContact CD2-CG2 3.78Å; Y639-T649 HydrophobicContact CE2-CG2 3.71Å
640A96.1Very high96Very high3 Ų311.4 Ų11.43%0.0255%0.051CC..EExtended strand (participates in β ladder)trans-124.2127.7173.200000109.2V566 A567 R645 L696V566-A640 HydrophobicContact CB-CB 4.24Å; V566-A640 HydrophobicContact CG1-CB 4.03Å; A567-A640 HydrophobicContact CB-CB 4.01Å; A640-R645 WeakPolarHBondContact CA-O 3.46Å; A640-L696 HydrophobicContact CB-CD2 3.76Å
641N95.9Very high95.9Very high2 Ų214.6 Ų14.61%0.0117%0.068CC..  trans-82.9177.7-178.577.7-5000112.5A295 L296 E643 G644 R645A295-N641 CarbonylContact O-C 3.56Å; A295-N641 VanDerWaalsContact O-CA 3.3Å; A295-N641 WeakPolarHBondContact O-CA 3.3Å; A295-N641 WeakPolarHBondContact O-CB 3.28Å; L296-N641 VanDerWaalsContact O-CB 3.26Å; L296-N641 WeakPolarHBondContact O-CB 3.37Å; L296-N641 PolarHBondContact O-ND2 3.08Å; N641-E643 PolarHBondContact O-N 3.29Å; N641-E643 VanDerWaalsContact O-N 3.16Å; N641-E643 WeakPolarHBondContact OD1-CG 3.45Å; N641-E643 PolarHBondContact OD1-N 3.11Å; N641-G644 WeakPolarHBondContact O-CA 3.3Å; N641-G644 PolarHBondContact O-N 2.81Å; N641-G644 PolarHBondContact OD1-N 3.02Å; N641-R645 PolarHBondContact N-O 3.34Å; N641-R645 VanDerWaalsContact N-O 3.15Å; N641-R645 VanDerWaalsContact OD1-CB 3.27Å; N641-R645 WeakPolarHBondContact OD1-CB 3.3Å; N641-R645 PolarHBondContact OD1-N 3.25Å
642T95.1Very high95.8Very high0 Ų014.9 Ų14.90%07%0.07CC..THydrogen-bonded Turntrans-60.4-25.2-175.2-158.40000114.5A295 L296 F432 V558 L559 H560 G644A295-T642 PolarHBondContact O-N 3.4Å; L296-T642 HydrophobicContact CD1-CG2 4.02Å; F432-T642 HydrophobicContact CB-CG2 4.07Å; F432-T642 WeakPolarHBondContact CB-O 3.36Å; F432-T642 HydrophobicContact CG-CG2 4.48Å; F432-T642 PolarHBondContact N-O 2.9Å; V558-T642 PolarHBondContact O-OG1 3.3Å; L559-T642 HydrophobicContact CD1-CG2 4.11Å; H560-T642 PolarHBondContact N-OG1 2.86Å; H560-T642 VanDerWaalsContact N-OG1 3.1Å; T642-G644 VanDerWaalsContact C-N 3.34Å
643E94.4Very high95.8Very high2 Ų215.2 Ų15.21%0.0097%0.072CC..THydrogen-bonded Turntrans-88.10.5172.960.6170.6-163.300113.5F432 R435 I436 N641 R645 V702F432-E643 HydrophobicContact CB-CB 4.12Å; R435-E643 VanDerWaalsContact CA-OE2 3.25Å; R435-E643 WeakPolarHBondContact CA-OE2 3.46Å; R435-E643 WeakPolarHBondContact CB-OE2 3.21Å; I436-E643 HydrophobicContact CD1-CG 3.92Å; I436-E643 HydrophobicContact CG1-CB 4.45Å; I436-E643 HydrophobicContact CG1-CG 4.2Å; I436-E643 PolarHBondContact N-OE2 3.46Å; N641-E643 PolarHBondContact O-N 3.29Å; N641-E643 VanDerWaalsContact O-N 3.16Å; N641-E643 WeakPolarHBondContact OD1-CG 3.45Å; N641-E643 PolarHBondContact OD1-N 3.11Å; E643-R645 HydrophobicContact CG-CB 4.29Å; E643-R645 IonicContact OE1-CZ 3.62Å; E643-R645 IonicContact OE1-NE 3.65Å; E643-R645 PolarHBondContact OE1-NE 2.87Å; E643-R645 IonicContact OE1-NH2 2.73Å; E643-R645 PolarHBondContact OE1-NH2 2.96Å; E643-V702 HydrophobicContact CG-CG2 3.98Å; E643-V702 WeakPolarHBondContact O-CG1 3.32Å; E643-V702 WeakPolarHBondContact OE1-CG2 3.31Å
644G93.6Very high95.7Very high3 Ų319.2 Ų19.23%0.03110%0.096CC..  trans82.518.3176.800000114.2R427 N641 T642R427-G644 PolarHBondContact NH2-O 3.36Å; N641-G644 WeakPolarHBondContact O-CA 3.3Å; N641-G644 PolarHBondContact O-N 2.81Å; N641-G644 PolarHBondContact OD1-N 3.02Å; T642-G644 VanDerWaalsContact C-N 3.34Å
645R95.6Very high95.6Very high9 Ų919.7 Ų19.73%0.03410%0.1CC..  trans-75.7121.8172.1-168.7-178.4-59.6-113.62.4109.5D319 A640 N641 E643 Q647 N700 T701 V702D319-R645 VanDerWaalsContact CB-NH2 3.32Å; D319-R645 VanDerWaalsContact CG-NH2 3.31Å; D319-R645 IonicContact OD2-CZ 3.77Å; D319-R645 IonicContact OD2-NH1 3.46Å; D319-R645 PolarHBondContact OD2-NH1 2.71Å; D319-R645 IonicContact OD2-NH2 2.69Å; D319-R645 PolarHBondContact OD2-NH2 3.35Å; A640-R645 WeakPolarHBondContact CA-O 3.46Å; N641-R645 PolarHBondContact N-O 3.34Å; N641-R645 VanDerWaalsContact N-O 3.15Å; N641-R645 VanDerWaalsContact OD1-CB 3.27Å; N641-R645 WeakPolarHBondContact OD1-CB 3.3Å; N641-R645 PolarHBondContact OD1-N 3.25Å; E643-R645 HydrophobicContact CG-CB 4.29Å; E643-R645 IonicContact OE1-CZ 3.62Å; E643-R645 IonicContact OE1-NE 3.65Å; E643-R645 PolarHBondContact OE1-NE 2.87Å; E643-R645 IonicContact OE1-NH2 2.73Å; E643-R645 PolarHBondContact OE1-NH2 2.96Å; R645-Q647 HydrophobicContact CG-CG 4.18Å; R645-N700 PolarHBondContact NH1-O 3.01Å; R645-T701 WeakPolarHBondContact CA-O 2.94Å; R645-V702 HydrophobicContact CB-CG2 3.85Å; R645-V702 HydrophobicContact CG-CG2 4.26Å
646A96Very high95.5Very high1 Ų121 Ų211%0.00811%0.11CC..EExtended strand (participates in β ladder)trans-75129.7170.300000110.2F699 N700A646-F699 HydrophobicContact CB-CD1 4.17Å; A646-F699 WeakPolarHBondContact O-CA 3.49Å; A646-N700 PolarHBondContact O-N 3.24Å
647Q95.9Very high95.3Very high1 Ų121.4 Ų21.41%0.00513%0.125CC..EExtended strand (participates in β ladder)trans-134152.6177.8-60.2168.2-71.800109.5I290 G297 N299 Y639 R645I290-Q647 HydrophobicContact CD1-CB 3.86Å; I290-Q647 HydrophobicContact CD1-CG 4.34Å; I290-Q647 HydrophobicContact CG1-CB 3.82Å; I290-Q647 HydrophobicContact CG2-CB 4.19Å; G297-Q647 PolarHBondContact O-NE2 3.09Å; G297-Q647 PolarHBondContact O-OE1 3.46Å; N299-Q647 PolarHBondContact OD1-NE2 3.1Å; N299-Q647 VanDerWaalsContact OD1-NE2 3.07Å; Y639-Q647 PolarHBondContact N-O 3.08Å; Y639-Q647 PolarHBondContact O-N 2.84Å; Y639-Q647 VanDerWaalsContact O-O 3.12Å; R645-Q647 HydrophobicContact CG-CG 4.18Å
648Q95Very high95.2Very high26 Ų2624.6 Ų24.612%0.12114%0.141CC..EExtended strand (participates in β ladder)trans-116.5125.4-178.6168.316610.200111.7I290 D636 A637 R686 F699I290-Q648 WeakPolarHBondContact CG1-O 3.29Å; D636-Q648 PolarHBondContact OD1-NE2 3.32Å; A637-Q648 CarbonylContact O-C 3.41Å; A637-Q648 VanDerWaalsContact O-CA 3.31Å; A637-Q648 WeakPolarHBondContact O-CA 3.11Å; Q648-R686 VanDerWaalsContact NE2-NH2 3.16Å; Q648-F699 HydrophobicContact CB-CD1 4.5Å; Q648-F699 HydrophobicContact CB-CE1 4.38Å
649T96.9Very high95Very high0 Ų024.8 Ų24.80%014%0.143CC..  trans-70.5154.9164.360.30000111.2S289 I290 K635 D636 A637 Y639S289-T649 WeakPolarHBondContact OG-CA 3.17Å; S289-T649 WeakPolarHBondContact OG-CB 3.47Å; I290-T649 HydrophobicContact CB-CG2 4.21Å; K635-T649 PolarHBondContact O-OG1 2.67Å; D636-T649 WeakPolarHBondContact CA-O 3.25Å; A637-T649 PolarHBondContact N-O 2.7Å; A637-T649 PolarHBondContact N-OG1 2.71Å; A637-T649 VanDerWaalsContact N-OG1 3.11Å; A637-T649 PolarHBondContact O-N 3.48Å; A637-T649 PolarHBondContact O-OG1 3.33Å; Y639-T649 HydrophobicContact CD2-CG2 3.78Å; Y639-T649 HydrophobicContact CE2-CG2 3.71Å
650R95.9Very high94.9Very high119 Ų11927 Ų2745%0.44915%0.151SC..  trans-115.3143.5174.4-62-59.4-176.9174.1-4.9111.9I287 E288 S289 D636 A652I287-R650 HydrophobicContact CG2-CB 3.91Å; E288-R650 VanDerWaalsContact O-CB 3.29Å; E288-R650 WeakPolarHBondContact O-CB 3.3Å; E288-R650 WeakPolarHBondContact O-CG 3.16Å; S289-R650 PolarHBondContact OG-N 3.19Å; D636-R650 WeakPolarHBondContact OD1-CA 3.4Å; D636-R650 WeakPolarHBondContact OD1-CD 3.4Å; D636-R650 IonicContact OD1-NH1 2.87Å; D636-R650 PolarHBondContact OD1-NH1 2.9Å; R650-A652 PolarHBondContact O-N 3.36Å
651L95.2Very high94.9Very high66 Ų6628.5 Ų28.535%0.34616%0.158SC..  trans-60.1100.6173.8177.464000110.4E634 D636 V653E634-L651 VanDerWaalsContact O-CD1 3.29Å; E634-L651 WeakPolarHBondContact O-CD1 3.06Å; D636-L651 WeakPolarHBondContact OD2-CB 3.36Å; L651-V653 WeakPolarHBondContact CD1-O 3.37Å
652A94.9Very high94.8Very high6 Ų628.6 Ų28.65%0.0516%0.158CC..  trans-97.5-39.1-178.300000112.7I287 V302 M304 T633 R650I287-A652 HydrophobicContact CB-CB 4.24Å; I287-A652 HydrophobicContact CD1-CB 4.15Å; I287-A652 HydrophobicContact CG2-CB 4.07Å; V302-A652 HydrophobicContact CB-CB 3.99Å; V302-A652 HydrophobicContact CG1-CB 3.76Å; V302-A652 HydrophobicContact CG2-CB 4.44Å; M304-A652 WeakPolarHBondContact CE-O 3.25Å; T633-A652 WeakPolarHBondContact O-CB 3.46Å; T633-A652 PolarHBondContact O-N 3.18Å; R650-A652 PolarHBondContact O-N 3.36Å
653V95.1Very high94.8Very high9 Ų929 Ų296%0.05516%0.16CC..SBendtrans-136153.6171.5-57.10000109.9M304 V309 T633 E634 L651M304-V653 HydrophobicContact CB-CG1 4.02Å; M304-V653 HydrophobicContact CE-CG1 3.88Å; V309-V653 HydrophobicContact CG2-CG1 3.87Å; V309-V653 HydrophobicContact CG2-CG2 4.16Å; T633-V653 PolarHBondContact O-N 2.87Å; T633-V653 VanDerWaalsContact O-N 3.14Å; E634-V653 VanDerWaalsContact CA-O 3.25Å; E634-V653 WeakPolarHBondContact CA-O 2.96Å; E634-V653 HydrophobicContact CG-CG2 3.78Å; L651-V653 WeakPolarHBondContact CD1-O 3.37Å
654V94.7Very high94.9Very high84 Ų8431.7 Ų31.751%0.50917%0.171SC..PPolyproline II helixtrans-80.9139.7177.8-177.70000109.9N307N307-V654 PolarHBondContact ND2-O 2.98Å; N307-V654 PolarHBondContact OD1-N 3.38Å
655P94.9Very high95Very high18 Ų1831.6 Ų31.612%0.11717%0.17CC..PPolyproline II helixtrans-50.5143.3176.9-26.931.6000113.9A630 E634 G657A630-P655 HydrophobicContact CB-CG 3.93Å; E634-P655 HydrophobicContact CB-CG 3.88Å; P655-G657 PolarHBondContact O-N 3.15Å
656P93.6Very high95Very high37 Ų3731.2 Ų31.224%0.2417%0.169CC..SBendtrans-68.7129.3-176.427.1-34.4000112.5R340 V342 E634 L658 G659R340-P656 HydrophobicContact CB-CG 4.21Å; V342-P656 HydrophobicContact CG2-CB 4.2Å; V342-P656 HydrophobicContact CG2-CG 4.39Å; E634-P656 WeakPolarHBondContact OE1-CD 3.48Å; P656-L658 PolarHBondContact O-N 3.02Å; P656-L658 VanDerWaalsContact O-N 3.16Å; P656-G659 PolarHBondContact O-N 3.32Å; P656-G659 VanDerWaalsContact O-N 3.11Å
657G92.3Very high95Very high56 Ų5632.5 Ų32.558%0.57717%0.173SC*.THydrogen-bonded Turntrans61.5-110.1171.600000114.4P655 R660P655-G657 PolarHBondContact O-N 3.15Å; G657-R660 PolarHBondContact O-NH1 3.13Å
658L94.6Very high95Very high69 Ų6932.6 Ų32.636%0.36118%0.175SC..THydrogen-bonded Turntrans-95.45.1-179.1-56.5-175.9000113.4V342 V343 W357 P656 R660V342-L658 WeakPolarHBondContact O-CA 3.45Å; V342-L658 WeakPolarHBondContact O-CB 3.43Å; V342-L658 PolarHBondContact O-N 3.15Å; V343-L658 HydrophobicContact CG1-CD1 4.14Å; V343-L658 HydrophobicContact CG1-CG 4.44Å; W357-L658 PolarHBondContact NE1-O 3.16Å; P656-L658 PolarHBondContact O-N 3.02Å; P656-L658 VanDerWaalsContact O-N 3.16Å; L658-R660 PolarHBondContact O-NH1 2.8Å
659G93.4Very high94.9Very high3 Ų331.5 Ų31.53%0.03117%0.17CC..  trans-60.1147.1175.600000113.9P628 P656P628-G659 VanDerWaalsContact O-CA 3.29Å; P628-G659 WeakPolarHBondContact O-CA 3.49Å; P656-G659 PolarHBondContact O-N 3.32Å; P656-G659 VanDerWaalsContact O-N 3.11Å
660R94.7Very high94.8Very high53 Ų5331.5 Ų31.520%0.217%0.17CC..  trans-139.9158.5-177.3-59.7-64.1176.5-103.13.8110.9W357 P628 G629 A630 G657 L658 I665W357-R660 HydrophobicContact CZ2-CB 4.42Å; W357-R660 HydrophobicContact CZ2-CG 3.93Å; P628-R660 PolarHBondContact O-N 2.83Å; G629-R660 CarbonylContact C-O 3.54Å; G629-R660 WeakPolarHBondContact CA-O 3.17Å; A630-R660 PolarHBondContact N-O 3.02Å; A630-R660 VanDerWaalsContact N-O 3.14Å; G657-R660 PolarHBondContact O-NH1 3.13Å; L658-R660 PolarHBondContact O-NH1 2.8Å; R660-I665 HydrophobicContact CB-CD1 4.47Å; R660-I665 HydrophobicContact CB-CG1 4.19Å
661E94.5Very high94.7Very high35 Ų3529.2 Ų29.216%0.16416%0.164CC..  trans-58.2137.3168.5-69.3151.7-116.700110.8K635 W663 K664 I665K635-E661 HydrophobicContact CB-CG 4.04Å; E661-W663 PolarHBondContact O-N 3.4Å; E661-W663 PolarHBondContact OE2-NE1 2.79Å; E661-K664 HydrophobicContact CB-CD 4.11Å; E661-K664 HydrophobicContact CB-CG 4.16Å; E661-K664 WeakPolarHBondContact O-CB 3.38Å; E661-K664 PolarHBondContact O-N 3.43Å; E661-K664 IonicContact OE1-NZ 3.02Å; E661-K664 PolarHBondContact OE1-NZ 3.02Å; E661-K664 WeakPolarHBondContact OE2-CE 3.12Å; E661-K664 IonicContact OE2-NZ 3.51Å; E661-K664 PolarHBondContact OE2-NZ 3.38Å; E661-I665 PolarHBondContact O-N 3.09Å
662D94.4Very high94.5Very high4 Ų427.7 Ų27.72%0.02116%0.158CC..Hα-helixtrans-72.2-35.6-162-39.4-70.9000112.3S397 L591 I612 G629 A630 K635 K664 I665 F666S397-D662 WeakPolarHBondContact OG-CB 3.44Å; L591-D662 HydrophobicContact CD1-CB 3.95Å; I612-D662 HydrophobicContact CG2-CB 4.04Å; G629-D662 WeakPolarHBondContact CA-OD1 3.36Å; A630-D662 PolarHBondContact N-OD1 3.25Å; K635-D662 IonicContact NZ-OD2 2.73Å; K635-D662 PolarHBondContact NZ-OD2 2.92Å; D662-K664 PolarHBondContact O-N 2.92Å; D662-I665 WeakPolarHBondContact O-CA 3.16Å; D662-I665 VanDerWaalsContact O-CB 3.27Å; D662-I665 WeakPolarHBondContact O-CB 3.23Å; D662-I665 PolarHBondContact O-N 3.18Å; D662-F666 VanDerWaalsContact O-CD2 3.3Å; D662-F666 WeakPolarHBondContact O-CD2 3.37Å; D662-F666 PolarHBondContact O-N 3.21Å
663W96.1Very high94.3Very high9 Ų927.6 Ų27.63%0.03416%0.156CC..Hα-helixtrans-57.9-34.3170.978.6-93.9000113E396 S397 A400 E661 I665 F666 R667 Y679 L682 I685E396-W663 HydrophobicContact CB-CB 4.34Å; E396-W663 HydrophobicContact CB-CG 4.39Å; S397-W663 PolarHBondContact OG-N 2.97Å; A400-W663 HydrophobicContact CB-CB 4.01Å; E661-W663 PolarHBondContact O-N 3.4Å; E661-W663 PolarHBondContact OE2-NE1 2.79Å; W663-I665 VanDerWaalsContact C-N 3.27Å; W663-I665 PolarHBondContact O-N 3.21Å; W663-F666 PolarHBondContact O-N 2.81Å; W663-R667 HydrophobicContact CE3-CB 4.38Å; W663-R667 HydrophobicContact CZ3-CB 4.49Å; W663-R667 WeakPolarHBondContact O-CB 3.38Å; W663-R667 PolarHBondContact O-N 3.03Å; W663-Y679 HydrophobicContact CZ3-CD2 4.46Å; W663-L682 HydrophobicContact CZ2-CB 4.42Å; W663-I685 HydrophobicContact CB-CD1 4.02Å; W663-I685 HydrophobicContact CD2-CD1 4.37Å; W663-I685 HydrophobicContact CD2-CG2 4.49Å; W663-I685 HydrophobicContact CE3-CD1 4.13Å; W663-I685 HydrophobicContact CG-CD1 4.38Å
664K96Very high94Very high57 Ų5733 Ų3325%0.24819%0.185CC..Hα-helixtrans-69.7-27.2176.9-62.1-177.8177.2162.20111.6E661 D662 A668E661-K664 HydrophobicContact CB-CD 4.11Å; E661-K664 HydrophobicContact CB-CG 4.16Å; E661-K664 WeakPolarHBondContact O-CB 3.38Å; E661-K664 PolarHBondContact O-N 3.43Å; E661-K664 IonicContact OE1-NZ 3.02Å; E661-K664 PolarHBondContact OE1-NZ 3.02Å; E661-K664 WeakPolarHBondContact OE2-CE 3.12Å; E661-K664 IonicContact OE2-NZ 3.51Å; E661-K664 PolarHBondContact OE2-NZ 3.38Å; D662-K664 PolarHBondContact O-N 2.92Å; K664-A668 VanDerWaalsContact O-CB 3.29Å; K664-A668 WeakPolarHBondContact O-CB 3.42Å; K664-A668 PolarHBondContact O-N 2.91Å
665I95.7Very high93.6Very high2 Ų231 Ų311%0.0117%0.171CC..Hα-helixtrans-69.5-48.3175.3-57.7173.5000109.8W357 I612 L627 R660 E661 D662 W663 R667 A668 I669W357-I665 HydrophobicContact CH2-CD1 3.76Å; W357-I665 HydrophobicContact CH2-CG1 3.7Å; W357-I665 HydrophobicContact CH2-CG2 4.13Å; W357-I665 HydrophobicContact CZ3-CG1 4.28Å; W357-I665 HydrophobicContact CZ3-CG2 4.02Å; I612-I665 HydrophobicContact CD1-CG2 3.85Å; I612-I665 HydrophobicContact CG1-CG2 4.09Å; I612-I665 HydrophobicContact CG2-CD1 3.78Å; L627-I665 HydrophobicContact CB-CG2 4.47Å; L627-I665 HydrophobicContact CD1-CG2 3.51Å; R660-I665 HydrophobicContact CB-CD1 4.47Å; R660-I665 HydrophobicContact CB-CG1 4.19Å; E661-I665 PolarHBondContact O-N 3.09Å; D662-I665 WeakPolarHBondContact O-CA 3.16Å; D662-I665 VanDerWaalsContact O-CB 3.27Å; D662-I665 WeakPolarHBondContact O-CB 3.23Å; D662-I665 PolarHBondContact O-N 3.18Å; W663-I665 VanDerWaalsContact C-N 3.27Å; W663-I665 PolarHBondContact O-N 3.21Å; I665-R667 PolarHBondContact O-N 2.94Å; I665-A668 WeakPolarHBondContact O-CB 3.33Å; I665-A668 PolarHBondContact O-N 3.22Å; I665-I669 HydrophobicContact CG2-CD1 4.05Å; I665-I669 WeakPolarHBondContact O-CG1 3.32Å; I665-I669 PolarHBondContact O-N 2.79Å
666F95.7Very high93.5Very high0 Ų033.3 Ų33.30%019%0.185CC..Hα-helixtrans-62.5-42.5174.7-63.9-61.8000112.4A400 L401 L404 F589 L591 I612 D662 W663 A668 I669 S670A400-F666 HydrophobicContact CB-CB 3.83Å; A400-F666 HydrophobicContact CB-CD2 4.05Å; A400-F666 HydrophobicContact CB-CG 4.31Å; L401-F666 HydrophobicContact CB-CD2 4.3Å; L401-F666 HydrophobicContact CB-CE1 4.25Å; L401-F666 HydrophobicContact CB-CE2 3.98Å; L401-F666 HydrophobicContact CB-CZ 3.95Å; L401-F666 HydrophobicContact CD1-CD1 4.26Å; L401-F666 HydrophobicContact CD1-CE1 3.62Å; L401-F666 HydrophobicContact CD1-CZ 3.89Å; L401-F666 HydrophobicContact CD2-CZ 4.32Å; L401-F666 HydrophobicContact CG-CE1 4.43Å; L401-F666 HydrophobicContact CG-CZ 4.27Å; L404-F666 HydrophobicContact CD2-CB 4.38Å; L404-F666 HydrophobicContact CD2-CD1 3.9Å; F589-F666 HydrophobicContact CD1-CE1 4.13Å; F589-F666 HydrophobicContact CG-CE1 4.44Å; L591-F666 HydrophobicContact CB-CZ 4.47Å; L591-F666 HydrophobicContact CD1-CE2 3.94Å; L591-F666 HydrophobicContact CD1-CZ 4.11Å; L591-F666 HydrophobicContact CD2-CE2 4.05Å; L591-F666 HydrophobicContact CD2-CZ 4.36Å; I612-F666 HydrophobicContact CD1-CD1 3.99Å; I612-F666 HydrophobicContact CD1-CE1 3.29Å; I612-F666 HydrophobicContact CD1-CE2 4.29Å; I612-F666 HydrophobicContact CD1-CZ 3.47Å; I612-F666 VanDerWaalsContact CD1-CZ 3.47Å; D662-F666 VanDerWaalsContact O-CD2 3.3Å; D662-F666 WeakPolarHBondContact O-CD2 3.37Å; D662-F666 PolarHBondContact O-N 3.21Å; W663-F666 PolarHBondContact O-N 2.81Å; F666-A668 VanDerWaalsContact C-N 3.31Å; F666-A668 PolarHBondContact O-N 2.92Å; F666-I669 PolarHBondContact O-N 3.41Å; F666-S670 PolarHBondContact O-N 3.01Å
667R95.5Very high93.5Very high28 Ų2831.7 Ų31.711%0.10617%0.174CC..Hα-helixtrans-61.3-36.4174.2176.856-17171.54.1112.4W663 I665 S670 E671 T676 L677 Y679 D680W663-R667 HydrophobicContact CE3-CB 4.38Å; W663-R667 HydrophobicContact CZ3-CB 4.49Å; W663-R667 WeakPolarHBondContact O-CB 3.38Å; W663-R667 PolarHBondContact O-N 3.03Å; I665-R667 PolarHBondContact O-N 2.94Å; R667-S670 PolarHBondContact O-OG 3.45Å; R667-E671 IonicContact CZ-OE2 2.98Å; R667-E671 IonicContact NH1-OE2 3.23Å; R667-E671 PolarHBondContact NH1-OE2 2.74Å; R667-E671 IonicContact NH2-OE2 2.83Å; R667-E671 PolarHBondContact O-N 3.18Å; R667-T676 VanDerWaalsContact CZ-CG2 3.48Å; R667-L677 PolarHBondContact NE-O 3.44Å; R667-Y679 WeakPolarHBondContact CD-O 3.41Å; R667-Y679 PolarHBondContact NE-O 2.8Å; R667-D680 IonicContact CZ-OD1 2.67Å; R667-D680 IonicContact NE-OD1 3.48Å; R667-D680 PolarHBondContact NE-OD1 2.88Å; R667-D680 IonicContact NH2-OD1 3.5Å; R667-D680 PolarHBondContact NH2-OD1 3.2Å
668A95Very high93.6Very high4 Ų433 Ų333%0.03317%0.173CC..Hα-helixtrans-67.9-45.3172.800000112.7W11 L361 K664 I665 F666 S670 E671 V672W11-A668 HydrophobicContact CH2-CB 4.01Å; W11-A668 HydrophobicContact CZ2-CB 3.55Å; L361-A668 HydrophobicContact CD1-CB 4.16Å; L361-A668 HydrophobicContact CD2-CB 4.35Å; K664-A668 VanDerWaalsContact O-CB 3.29Å; K664-A668 WeakPolarHBondContact O-CB 3.42Å; K664-A668 PolarHBondContact O-N 2.91Å; I665-A668 WeakPolarHBondContact O-CB 3.33Å; I665-A668 PolarHBondContact O-N 3.22Å; F666-A668 VanDerWaalsContact C-N 3.31Å; F666-A668 PolarHBondContact O-N 2.92Å; A668-S670 VanDerWaalsContact C-N 3.29Å; A668-S670 PolarHBondContact O-N 3.28Å; A668-E671 PolarHBondContact O-N 3.39Å; A668-V672 WeakPolarHBondContact O-CG2 3.11Å; A668-V672 PolarHBondContact O-N 3.09Å
669I94.1Very high93.6Very high2 Ų229.9 Ų29.91%0.0116%0.156CC..Hα-helixtrans-58.2-43.9176.5-68.3163.6000110.4L361 I364 L368 L404 F589 I612 L627 I665 F666 E671 V672 V673L361-I669 HydrophobicContact CD2-CB 4.48Å; L361-I669 HydrophobicContact CD2-CG1 3.49Å; L361-I669 VanDerWaalsContact CD2-CG1 3.49Å; I364-I669 HydrophobicContact CD1-CD1 4.14Å; I364-I669 HydrophobicContact CD1-CG1 4.33Å; I364-I669 HydrophobicContact CG2-CG1 4.4Å; I364-I669 HydrophobicContact CG2-CG2 3.86Å; L368-I669 HydrophobicContact CD1-CG2 3.83Å; L404-I669 HydrophobicContact CD2-CG2 4.18Å; F589-I669 HydrophobicContact CE1-CD1 4.09Å; I612-I669 HydrophobicContact CD1-CD1 4.39Å; L627-I669 HydrophobicContact CD1-CD1 4.33Å; I665-I669 HydrophobicContact CG2-CD1 4.05Å; I665-I669 WeakPolarHBondContact O-CG1 3.32Å; I665-I669 PolarHBondContact O-N 2.79Å; F666-I669 PolarHBondContact O-N 3.41Å; I669-E671 VanDerWaalsContact C-N 3.29Å; I669-E671 PolarHBondContact O-N 3.31Å; I669-V672 PolarHBondContact O-N 2.85Å; I669-V673 WeakPolarHBondContact O-CG2 3.46Å; I669-V673 PolarHBondContact O-N 2.74Å
670S94.1Very high93.7Very high0 Ų035.1 Ų35.10%018%0.183CC..Hα-helixtrans-58.6-37.8179.5790000113.6F666 R667 A668 D674 I675 T676 L677F666-S670 PolarHBondContact O-N 3.01Å; R667-S670 PolarHBondContact O-OG 3.45Å; A668-S670 VanDerWaalsContact C-N 3.29Å; A668-S670 PolarHBondContact O-N 3.28Å; S670-D674 PolarHBondContact O-N 2.91Å; S670-I675 WeakPolarHBondContact CB-O 3.27Å; S670-I675 CarbonylContact O-C 3.53Å; S670-I675 VanDerWaalsContact O-C 3.24Å; S670-I675 PolarHBondContact O-N 3.18Å; S670-T676 PolarHBondContact O-N 2.7Å; S670-L677 PolarHBondContact OG-N 3.16Å
671E93.8Very high93.7Very high71 Ų7135.5 Ų35.533%0.33219%0.189SC..Hα-helixtrans-74.8-37.8-178.7-167.8174.5171.100112.1W11 R667 A668 I669 V673 D674W11-E671 VanDerWaalsContact CD1-CD 3.47Å; W11-E671 PolarHBondContact NE1-OE2 3.14Å; R667-E671 IonicContact CZ-OE2 2.98Å; R667-E671 IonicContact NH1-OE2 3.23Å; R667-E671 PolarHBondContact NH1-OE2 2.74Å; R667-E671 IonicContact NH2-OE2 2.83Å; R667-E671 PolarHBondContact O-N 3.18Å; A668-E671 PolarHBondContact O-N 3.39Å; I669-E671 VanDerWaalsContact C-N 3.29Å; I669-E671 PolarHBondContact O-N 3.31Å; E671-V673 VanDerWaalsContact C-N 3.26Å; E671-V673 PolarHBondContact O-N 2.83Å; E671-D674 PolarHBondContact O-N 2.86Å
672V92.2Very high93.6Very high35 Ų3535.6 Ų35.621%0.21219%0.191CC..Hα-helixtrans-72.9-21.1178.7-178.70000112L361 A365 A668 I669L361-V672 HydrophobicContact CB-CG2 4.24Å; A365-V672 HydrophobicContact CB-CG1 3.84Å; A668-V672 WeakPolarHBondContact O-CG2 3.11Å; A668-V672 PolarHBondContact O-N 3.09Å; I669-V672 PolarHBondContact O-N 2.85Å
673V89.7Confident93.7Very high3 Ų340.8 Ų40.82%0.01822%0.219CC..THydrogen-bonded Turntrans-91.8-0.6174-175.20000112.9A365 L368 L369 L372 F408 I669 E671 I675A365-V673 HydrophobicContact CB-CG2 3.69Å; L368-V673 HydrophobicContact CB-CG1 4.25Å; L368-V673 HydrophobicContact CB-CG2 4.1Å; L368-V673 HydrophobicContact CD1-CG2 3.77Å; L369-V673 HydrophobicContact CD2-CG1 4.07Å; L369-V673 HydrophobicContact CG-CG1 4.39Å; L372-V673 HydrophobicContact CD1-CG1 4.02Å; F408-V673 HydrophobicContact CE1-CG1 4.2Å; F408-V673 HydrophobicContact CZ-CG1 3.91Å; I669-V673 WeakPolarHBondContact O-CG2 3.46Å; I669-V673 PolarHBondContact O-N 2.74Å; E671-V673 VanDerWaalsContact C-N 3.26Å; E671-V673 PolarHBondContact O-N 2.83Å; V673-I675 VanDerWaalsContact C-N 3.28Å; V673-I675 HydrophobicContact CG1-CD1 4.49Å; V673-I675 PolarHBondContact O-N 2.83Å
674D88Confident93.7Very high124 Ų12444.1 Ų44.166%0.66323%0.234SC*.THydrogen-bonded Turntrans67.821.6-179.1-126.3-14.7000114R4 S670 E671R4-D674 IonicContact NH2-OD2 3.18Å; S670-D674 PolarHBondContact O-N 2.91Å; E671-D674 PolarHBondContact O-N 2.86Å
675I88.1Confident93.7Very high42 Ų4241.4 Ų41.422%0.21522%0.222CC..  trans-124.258.8174-45.1175.8000109.5L372 R407 F408 S670 V673 L677L372-I675 HydrophobicContact CD1-CD1 3.63Å; L372-I675 HydrophobicContact CD2-CD1 3.52Å; L372-I675 HydrophobicContact CG-CD1 4.22Å; R407-I675 HydrophobicContact CB-CG2 3.94Å; R407-I675 HydrophobicContact CG-CG2 3.99Å; F408-I675 HydrophobicContact CE1-CD1 4.38Å; F408-I675 HydrophobicContact CZ-CD1 4.47Å; S670-I675 WeakPolarHBondContact CB-O 3.27Å; S670-I675 CarbonylContact O-C 3.53Å; S670-I675 VanDerWaalsContact O-C 3.24Å; S670-I675 PolarHBondContact O-N 3.18Å; V673-I675 VanDerWaalsContact C-N 3.28Å; V673-I675 HydrophobicContact CG1-CD1 4.49Å; V673-I675 PolarHBondContact O-N 2.83Å; I675-L677 PolarHBondContact O-N 3.22Å
676T91.9Very high93.7Very high65 Ų6542.4 Ų42.440%0.39923%0.226SC..  trans-57.1127.2-172.2-530000112.9R667 S670R667-T676 VanDerWaalsContact CZ-CG2 3.48Å; S670-T676 PolarHBondContact O-N 2.7Å
677L94.4Very high93.7Very high3 Ų345.8 Ų45.82%0.01625%0.25CC..  trans-68144.3175.1-71167.6000111.7D403 L404 R667 S670 I675 Y679D403-L677 HydrophobicContact CB-CD2 3.6Å; L404-L677 HydrophobicContact CB-CD1 4.32Å; R667-L677 PolarHBondContact NE-O 3.44Å; S670-L677 PolarHBondContact OG-N 3.16Å; I675-L677 PolarHBondContact O-N 3.22Å; L677-Y679 HydrophobicContact CB-CD2 4.43Å; L677-Y679 HydrophobicContact CB-CE1 4.4Å; L677-Y679 HydrophobicContact CB-CE2 3.83Å; L677-Y679 HydrophobicContact CD1-CE2 4.21Å; L677-Y679 PolarHBondContact O-N 2.76Å
678P93.9Very high93.7Very high85 Ų8547.3 Ų47.355%0.55226%0.255SS*.SBendtrans-80.732-164.435.4-39.3000114.6
679Y95.4Very high93.8Very high2 Ų247.1 Ų47.11%0.00825%0.254CS..  trans-148.6136.1-179.635.4-99.6000112A400 W663 R667 L677 I685 R688A400-Y679 WeakPolarHBondContact CA-OH 3.4Å; W663-Y679 HydrophobicContact CZ3-CD2 4.46Å; R667-Y679 WeakPolarHBondContact CD-O 3.41Å; R667-Y679 PolarHBondContact NE-O 2.8Å; L677-Y679 HydrophobicContact CB-CD2 4.43Å; L677-Y679 HydrophobicContact CB-CE1 4.4Å; L677-Y679 HydrophobicContact CB-CE2 3.83Å; L677-Y679 HydrophobicContact CD1-CE2 4.21Å; L677-Y679 PolarHBondContact O-N 2.76Å; Y679-I685 HydrophobicContact CD1-CB 4.35Å; Y679-I685 HydrophobicContact CD1-CG1 4.34Å; Y679-I685 HydrophobicContact CD2-CB 3.89Å; Y679-I685 HydrophobicContact CD2-CD1 3.98Å; Y679-I685 HydrophobicContact CD2-CG1 4.03Å; Y679-I685 HydrophobicContact CE1-CG1 4.26Å; Y679-I685 HydrophobicContact CE2-CB 4.33Å; Y679-I685 HydrophobicContact CE2-CD1 3.58Å; Y679-I685 HydrophobicContact CE2-CG1 3.94Å; Y679-I685 HydrophobicContact CG-CB 3.91Å; Y679-I685 HydrophobicContact CG-CG1 4.23Å; Y679-R688 HydrophobicContact CD1-CB 4.12Å; Y679-R688 HydrophobicContact CD1-CG 4.34Å; Y679-R688 HydrophobicContact CE1-CB 4.2Å; Y679-R688 HydrophobicContact CE1-CG 3.95Å
680D94.1Very high93.8Very high114 Ų11449.6 Ų49.661%0.6127%0.271SS*.SBendtrans-109.8-17.6178.1-72.9-20.5000113.4R667R667-D680 IonicContact CZ-OD1 2.67Å; R667-D680 IonicContact NE-OD1 3.48Å; R667-D680 PolarHBondContact NE-OD1 2.88Å; R667-D680 IonicContact NH2-OD1 3.5Å; R667-D680 PolarHBondContact NH2-OD1 3.2Å
681D94.5Very high93.9Very high61 Ų6156.3 Ų56.333%0.32630%0.303SS..SBendtrans-134.6167.6-17777.253.5000113.6N683 Q684 I685D681-N683 VanDerWaalsContact C-N 3.29Å; D681-N683 PolarHBondContact O-N 2.99Å; D681-N683 WeakPolarHBondContact OD1-CA 3.36Å; D681-N683 VanDerWaalsContact OD1-CB 3.29Å; D681-N683 WeakPolarHBondContact OD1-CB 3.32Å; D681-N683 PolarHBondContact OD1-N 2.7Å; D681-Q684 PolarHBondContact O-N 2.63Å; D681-Q684 PolarHBondContact OD1-N 3.03Å; D681-Q684 PolarHBondContact OD2-NE2 3.48Å; D681-I685 PolarHBondContact O-N 3.31Å; D681-I685 VanDerWaalsContact O-N 3.12Å
682L93.9Very high93.9Very high37 Ų3755.5 Ų55.519%0.19430%0.302CS..Hα-helixtrans-63.2-30.8-175.8-170.866.9000113.1E396 D636 W663 I685 R686E396-L682 HydrophobicContact CG-CD1 3.93Å; D636-L682 HydrophobicContact CB-CD2 3.97Å; D636-L682 WeakPolarHBondContact O-CD2 3.42Å; W663-L682 HydrophobicContact CZ2-CB 4.42Å; L682-I685 HydrophobicContact CD1-CG2 4.32Å; L682-I685 WeakPolarHBondContact O-CG2 3.21Å; L682-R686 WeakPolarHBondContact O-CB 3.41Å; L682-R686 WeakPolarHBondContact O-CD 3.49Å; L682-R686 WeakPolarHBondContact O-CG 3.41Å; L682-R686 PolarHBondContact O-N 3.27Å; L682-R686 VanDerWaalsContact O-N 3.09Å
683N94.9Very high94Very high113 Ų11354.3 Ų54.360%0.60430%0.296SS*.Hα-helixtrans-76.9-34178.3-58.1-42.5000111.2D681 S687D681-N683 VanDerWaalsContact C-N 3.29Å; D681-N683 PolarHBondContact O-N 2.99Å; D681-N683 WeakPolarHBondContact OD1-CA 3.36Å; D681-N683 VanDerWaalsContact OD1-CB 3.29Å; D681-N683 WeakPolarHBondContact OD1-CB 3.32Å; D681-N683 PolarHBondContact OD1-N 2.7Å; N683-S687 WeakPolarHBondContact O-CB 3.49Å; N683-S687 PolarHBondContact O-N 2.84Å; N683-S687 PolarHBondContact O-OG 3.27Å
684Q96.5Very high94.1Very high78 Ų7858.1 Ų58.136%0.36432%0.321SS..Hα-helixtrans-68.3-44.4175.7-64173.528.900111.5D681 S687 R688D681-Q684 PolarHBondContact O-N 2.63Å; D681-Q684 PolarHBondContact OD1-N 3.03Å; D681-Q684 PolarHBondContact OD2-NE2 3.48Å; Q684-S687 WeakPolarHBondContact O-CB 3.38Å; Q684-S687 PolarHBondContact O-N 3.14Å; Q684-R688 PolarHBondContact O-N 3.27Å
685I95.8Very high94.2Very high0 Ų053.3 Ų53.30%030%0.301CS..Hα-helixtrans-68.6-33.6174.6-166.1170000112.1E396 A400 W663 Y679 D681 L682 S687 R688 I689E396-I685 HydrophobicContact CB-CD1 4.23Å; E396-I685 HydrophobicContact CB-CG2 4.26Å; E396-I685 HydrophobicContact CG-CG2 3.95Å; E396-I685 WeakPolarHBondContact O-CD1 3.3Å; A400-I685 HydrophobicContact CB-CD1 3.92Å; W663-I685 HydrophobicContact CB-CD1 4.02Å; W663-I685 HydrophobicContact CD2-CD1 4.37Å; W663-I685 HydrophobicContact CD2-CG2 4.49Å; W663-I685 HydrophobicContact CE3-CD1 4.13Å; W663-I685 HydrophobicContact CG-CD1 4.38Å; Y679-I685 HydrophobicContact CD1-CB 4.35Å; Y679-I685 HydrophobicContact CD1-CG1 4.34Å; Y679-I685 HydrophobicContact CD2-CB 3.89Å; Y679-I685 HydrophobicContact CD2-CD1 3.98Å; Y679-I685 HydrophobicContact CD2-CG1 4.03Å; Y679-I685 HydrophobicContact CE1-CG1 4.26Å; Y679-I685 HydrophobicContact CE2-CB 4.33Å; Y679-I685 HydrophobicContact CE2-CD1 3.58Å; Y679-I685 HydrophobicContact CE2-CG1 3.94Å; Y679-I685 HydrophobicContact CG-CB 3.91Å; Y679-I685 HydrophobicContact CG-CG1 4.23Å; D681-I685 PolarHBondContact O-N 3.31Å; D681-I685 VanDerWaalsContact O-N 3.12Å; L682-I685 HydrophobicContact CD1-CG2 4.32Å; L682-I685 WeakPolarHBondContact O-CG2 3.21Å; I685-S687 VanDerWaalsContact C-N 3.33Å; I685-S687 PolarHBondContact O-N 2.97Å; I685-R688 WeakPolarHBondContact O-CA 3.28Å; I685-R688 WeakPolarHBondContact O-CB 3.25Å; I685-R688 PolarHBondContact O-N 2.92Å; I685-R688 VanDerWaalsContact O-N 3.16Å; I685-I689 WeakPolarHBondContact O-CG1 3.04Å; I685-I689 PolarHBondContact O-N 3.31Å
686R96.4Very high94.5Very high24 Ų2451.3 Ų51.39%0.09129%0.291CS..Hα-helixtrans-64.3-37.2169.3-75.6173.3-178.5-158.4-1.5112.3E396 D636 I638 Q648 L682 R688 I689 S690 L697E396-R686 HydrophobicContact CG-CG 4.29Å; E396-R686 IonicContact OE1-CZ 3.06Å; E396-R686 IonicContact OE1-NE 3.23Å; E396-R686 PolarHBondContact OE1-NE 3.03Å; E396-R686 IonicContact OE1-NH2 3.99Å; E396-R686 PolarHBondContact OE1-NH2 3.41Å; D636-R686 PolarHBondContact O-NH2 2.8Å; I638-R686 HydrophobicContact CD1-CG 3.92Å; Q648-R686 VanDerWaalsContact NE2-NH2 3.16Å; L682-R686 WeakPolarHBondContact O-CB 3.41Å; L682-R686 WeakPolarHBondContact O-CD 3.49Å; L682-R686 WeakPolarHBondContact O-CG 3.41Å; L682-R686 PolarHBondContact O-N 3.27Å; L682-R686 VanDerWaalsContact O-N 3.09Å; R686-R688 VanDerWaalsContact C-N 3.27Å; R686-R688 PolarHBondContact O-N 2.97Å; R686-I689 WeakPolarHBondContact O-CB 3.04Å; R686-I689 PolarHBondContact O-N 3.05Å; R686-I689 VanDerWaalsContact O-N 3.17Å; R686-S690 PolarHBondContact O-N 3.48Å; R686-L697 HydrophobicContact CB-CD2 3.9Å; R686-L697 HydrophobicContact CG-CD2 4.15Å
687S95.9Very high94.5Very high70 Ų7050.7 Ų50.749%0.4928%0.284SS..Hα-helixtrans-66-30.7172.9-61.10000112.3N683 Q684 I685 S690 Q691N683-S687 WeakPolarHBondContact O-CB 3.49Å; N683-S687 PolarHBondContact O-N 2.84Å; N683-S687 PolarHBondContact O-OG 3.27Å; Q684-S687 WeakPolarHBondContact O-CB 3.38Å; Q684-S687 PolarHBondContact O-N 3.14Å; I685-S687 VanDerWaalsContact C-N 3.33Å; I685-S687 PolarHBondContact O-N 2.97Å; S687-S690 WeakPolarHBondContact O-CB 3.25Å; S687-S690 PolarHBondContact O-N 3Å; S687-Q691 WeakPolarHBondContact O-CG 3.49Å
688R96.2Very high94.4Very high60 Ų6054 Ų5423%0.22630%0.302CS..Hα-helixtrans-68.1-43.3168.6177.263.7-176.7127.210.4112.2M399 D403 Y679 Q684 I685 R686 S690 Q691M399-R688 HydrophobicContact CE-CG 4.32Å; M399-R688 HydrophobicContact CG-CG 3.91Å; M399-R688 HydrophobicContact SD-CG 4.19Å; D403-R688 IonicContact OD1-CZ 2.75Å; D403-R688 IonicContact OD1-NE 2.78Å; D403-R688 PolarHBondContact OD1-NE 2.8Å; D403-R688 IonicContact OD1-NH2 3.16Å; D403-R688 PolarHBondContact OD1-NH2 3.18Å; D403-R688 WeakPolarHBondContact OD2-CG 3.46Å; D403-R688 IonicContact OD2-CZ 3.45Å; D403-R688 IonicContact OD2-NE 2.73Å; D403-R688 PolarHBondContact OD2-NE 3.41Å; D403-R688 IonicContact OD2-NH2 2.71Å; Y679-R688 HydrophobicContact CD1-CB 4.12Å; Y679-R688 HydrophobicContact CD1-CG 4.34Å; Y679-R688 HydrophobicContact CE1-CB 4.2Å; Y679-R688 HydrophobicContact CE1-CG 3.95Å; Q684-R688 PolarHBondContact O-N 3.27Å; I685-R688 WeakPolarHBondContact O-CA 3.28Å; I685-R688 WeakPolarHBondContact O-CB 3.25Å; I685-R688 PolarHBondContact O-N 2.92Å; I685-R688 VanDerWaalsContact O-N 3.16Å; R686-R688 VanDerWaalsContact C-N 3.27Å; R686-R688 PolarHBondContact O-N 2.97Å; R688-S690 VanDerWaalsContact C-N 3.27Å; R688-S690 PolarHBondContact O-N 3.16Å; R688-Q691 VanDerWaalsContact NH1-OE1 3.16Å; R688-Q691 WeakPolarHBondContact O-CB 3.34Å; R688-Q691 PolarHBondContact O-N 2.95Å; R688-Q691 VanDerWaalsContact O-N 3.17Å
689I96.3Very high94.3Very high0 Ų053.1 Ų53.10%029%0.29CS..Hα-helixtrans-57.2-42.3172.2-67.3170.2000110.6A395 E396 M399 L571 I685 R686 Q691 V692 A693 L696A395-I689 HydrophobicContact CB-CD1 4.07Å; E396-I689 HydrophobicContact CG-CD1 4Å; M399-I689 HydrophobicContact CB-CD1 4.42Å; M399-I689 HydrophobicContact CB-CG1 3.87Å; M399-I689 HydrophobicContact CG-CG1 3.81Å; M399-I689 HydrophobicContact SD-CG1 4.32Å; L571-I689 HydrophobicContact CD2-CG2 4.45Å; I685-I689 WeakPolarHBondContact O-CG1 3.04Å; I685-I689 PolarHBondContact O-N 3.31Å; R686-I689 WeakPolarHBondContact O-CB 3.04Å; R686-I689 PolarHBondContact O-N 3.05Å; R686-I689 VanDerWaalsContact O-N 3.17Å; I689-Q691 PolarHBondContact O-N 3.14Å; I689-Q691 VanDerWaalsContact O-N 3.1Å; I689-V692 PolarHBondContact O-N 3.48Å; I689-A693 CarbonylContact O-C 3.59Å; I689-A693 PolarHBondContact O-N 3.18Å; I689-L696 HydrophobicContact CG2-CB 3.78Å; I689-L696 HydrophobicContact CG2-CD1 4.02Å; I689-L696 HydrophobicContact CG2-CG 4.48Å
690S94.7Very high94Very high54 Ų5456.7 Ų56.738%0.37831%0.309SS..Hα-helixtrans-53-33.4177.8-156.60000113.8R686 S687 R688 V692 P694R686-S690 PolarHBondContact O-N 3.48Å; S687-S690 WeakPolarHBondContact O-CB 3.25Å; S687-S690 PolarHBondContact O-N 3Å; R688-S690 VanDerWaalsContact C-N 3.27Å; R688-S690 PolarHBondContact O-N 3.16Å; S690-V692 VanDerWaalsContact C-N 3.33Å; S690-P694 WeakPolarHBondContact O-CB 3.35Å
691Q95Very high93.8Very high142 Ų14253.9 Ų53.966%0.66430%0.296SS*.THydrogen-bonded Turntrans-78.1-14.8179.8-61.6166.3-300113.8S687 R688 I689S687-Q691 WeakPolarHBondContact O-CG 3.49Å; R688-Q691 VanDerWaalsContact NH1-OE1 3.16Å; R688-Q691 WeakPolarHBondContact O-CB 3.34Å; R688-Q691 PolarHBondContact O-N 2.95Å; R688-Q691 VanDerWaalsContact O-N 3.17Å; I689-Q691 PolarHBondContact O-N 3.14Å; I689-Q691 VanDerWaalsContact O-N 3.1Å
692V94.1Very high93.6Very high53 Ų5351.8 Ų51.832%0.32129%0.285SS..THydrogen-bonded Turntrans-112.6-51.1-174.7-179.90000110.4M399 L571 I689 S690M399-V692 HydrophobicContact CE-CG2 4.14Å; M399-V692 HydrophobicContact SD-CB 4.31Å; M399-V692 HydrophobicContact SD-CG2 3.95Å; L571-V692 HydrophobicContact CD2-CG1 4.29Å; I689-V692 PolarHBondContact O-N 3.48Å; S690-V692 VanDerWaalsContact C-N 3.33Å
693A93.4Very high93.2Very high10 Ų1053.4 Ų53.48%0.08329%0.292CS..  trans-138.573.9-175.600000109.8D570 L571 I689 G695 L696D570-A693 HydrophobicContact CB-CB 4.35Å; D570-A693 WeakPolarHBondContact O-CB 3.49Å; L571-A693 HydrophobicContact CD2-CB 4.18Å; I689-A693 CarbonylContact O-C 3.59Å; I689-A693 PolarHBondContact O-N 3.18Å; A693-G695 PolarHBondContact O-N 3.17Å; A693-G695 VanDerWaalsContact O-N 3.11Å; A693-L696 HydrophobicContact CB-CD1 3.8Å; A693-L696 HydrophobicContact CB-CG 4.02Å; A693-L696 WeakPolarHBondContact O-CB 3.49Å; A693-L696 PolarHBondContact O-N 3.37Å
694P93.2Very high92.6Very high83 Ų8352.4 Ų52.454%0.53929%0.292SS..G310 helixtrans-58.4-27.8-174.620.6-32.4000113.9S690 L696 L697S690-P694 WeakPolarHBondContact O-CB 3.35Å; P694-L696 PolarHBondContact O-N 2.91Å; P694-L697 PolarHBondContact O-N 3.32Å; P694-L697 VanDerWaalsContact O-N 3.16Å
695G90.5Very high91.9Very high23 Ų2349.9 Ų49.924%0.23728%0.282CS..G310 helixtrans-61.3-20175.400000114.7A693 L697 D698A693-G695 PolarHBondContact O-N 3.17Å; A693-G695 VanDerWaalsContact O-N 3.11Å; G695-L697 PolarHBondContact O-N 3.35Å; G695-D698 PolarHBondContact O-N 2.91Å
696L93.1Very high91.3Very high1 Ų155.5 Ų55.51%0.00531%0.312CS..G310 helixtrans-73.9-6.1176.4-65.7-179.5000113.9A395 A567 D570 L571 I638 A640 I689 A693 P694 F699A395-L696 HydrophobicContact CB-CD1 4.07Å; A567-L696 HydrophobicContact CB-CD2 4.47Å; D570-L696 HydrophobicContact CB-CD1 4.14Å; D570-L696 HydrophobicContact CB-CD2 4.24Å; D570-L696 HydrophobicContact CB-CG 4.29Å; D570-L696 WeakPolarHBondContact OD2-CD2 3.49Å; L571-L696 HydrophobicContact CD2-CD1 4.06Å; L571-L696 HydrophobicContact CG-CD1 3.97Å; I638-L696 HydrophobicContact CG2-CB 4.49Å; I638-L696 WeakPolarHBondContact CG2-O 3.42Å; A640-L696 HydrophobicContact CB-CD2 3.76Å; I689-L696 HydrophobicContact CG2-CB 3.78Å; I689-L696 HydrophobicContact CG2-CD1 4.02Å; I689-L696 HydrophobicContact CG2-CG 4.48Å; A693-L696 HydrophobicContact CB-CD1 3.8Å; A693-L696 HydrophobicContact CB-CG 4.02Å; A693-L696 WeakPolarHBondContact O-CB 3.49Å; A693-L696 PolarHBondContact O-N 3.37Å; P694-L696 PolarHBondContact O-N 2.91Å; L696-F699 WeakPolarHBondContact O-CE1 3.46Å
697L93.2Very high90.6Very high51 Ų5160.4 Ų60.427%0.26733%0.334SS..G310 helixtrans-105.3-9.3175.2-60.5-177.7000114.1I638 R686 P694 G695 F699I638-L697 HydrophobicContact CD1-CD2 3.85Å; R686-L697 HydrophobicContact CB-CD2 3.9Å; R686-L697 HydrophobicContact CG-CD2 4.15Å; P694-L697 PolarHBondContact O-N 3.32Å; P694-L697 VanDerWaalsContact O-N 3.16Å; G695-L697 PolarHBondContact O-N 3.35Å; L697-F699 HydrophobicContact CD2-CZ 4.31Å; L697-F699 WeakPolarHBondContact O-CD2 3.45Å; L697-F699 PolarHBondContact O-N 2.97Å; L697-F699 VanDerWaalsContact O-N 3.11Å
698D92Very high89.9Confident72 Ų7264.6 Ų64.639%0.38535%0.345SS..SBendtrans-86.279.9178.7-161.6-27.4000109.4G695 T701 Q703G695-D698 PolarHBondContact O-N 2.91Å; D698-T701 PolarHBondContact O-N 3.08Å; D698-T701 PolarHBondContact O-OG1 2.87Å; D698-T701 VanDerWaalsContact O-OG1 3.12Å; D698-T701 WeakPolarHBondContact OD1-CB 3.4Å; D698-T701 WeakPolarHBondContact OD1-CG2 3.43Å; D698-T701 PolarHBondContact OD1-OG1 3.03Å; D698-T701 PolarHBondContact OD2-OG1 3.39Å; D698-Q703 VanDerWaalsContact CG-NE2 3.27Å; D698-Q703 PolarHBondContact OD2-NE2 3.06Å
699F91.9Very high89.1Confident67 Ų6764 Ų6429%0.29435%0.348SS..BIsolated β-bridgetrans-70134-166.6-61.4-55.5000113.8I638 A646 Q648 L696 L697 T701I638-F699 HydrophobicContact CD1-CE1 3.79Å; I638-F699 HydrophobicContact CD1-CZ 3.71Å; I638-F699 HydrophobicContact CG1-CE1 3.75Å; I638-F699 HydrophobicContact CG1-CZ 3.97Å; I638-F699 HydrophobicContact CG2-CE1 4.21Å; A646-F699 HydrophobicContact CB-CD1 4.17Å; A646-F699 WeakPolarHBondContact O-CA 3.49Å; Q648-F699 HydrophobicContact CB-CD1 4.5Å; Q648-F699 HydrophobicContact CB-CE1 4.38Å; L696-F699 WeakPolarHBondContact O-CE1 3.46Å; L697-F699 HydrophobicContact CD2-CZ 4.31Å; L697-F699 WeakPolarHBondContact O-CD2 3.45Å; L697-F699 PolarHBondContact O-N 2.97Å; L697-F699 VanDerWaalsContact O-N 3.11Å; F699-T701 PolarHBondContact O-N 3.26Å
700N87.8Confident88.3Confident78 Ų7864.8 Ų64.842%0.41735%0.352SS..THydrogen-bonded Turntrans65.39.7-177.8-48.9-77.1000115.4R645 A646R645-N700 PolarHBondContact NH1-O 3.01Å; A646-N700 PolarHBondContact O-N 3.24Å
701T90.3Very high87.7Confident55 Ų5566.1 Ų66.134%0.33736%0.358SS..  trans-102150.6172.868.50000111.6R645 D698 F699 Q703R645-T701 WeakPolarHBondContact CA-O 2.94Å; D698-T701 PolarHBondContact O-N 3.08Å; D698-T701 PolarHBondContact O-OG1 2.87Å; D698-T701 VanDerWaalsContact O-OG1 3.12Å; D698-T701 WeakPolarHBondContact OD1-CB 3.4Å; D698-T701 WeakPolarHBondContact OD1-CG2 3.43Å; D698-T701 PolarHBondContact OD1-OG1 3.03Å; D698-T701 PolarHBondContact OD2-OG1 3.39Å; F699-T701 PolarHBondContact O-N 3.26Å; T701-Q703 PolarHBondContact OG1-NE2 3.41Å
702V90Very high87.1Confident16 Ų1663.5 Ų63.510%0.09735%0.348CS..  trans-108.6107.9172.2176.40000109R435 E643 R645 P704R435-V702 HydrophobicContact CG-CB 4.44Å; R435-V702 HydrophobicContact CG-CG1 4.02Å; R435-V702 PolarHBondContact NH2-O 2.91Å; R435-V702 VanDerWaalsContact NH2-O 3.12Å; E643-V702 HydrophobicContact CG-CG2 3.98Å; E643-V702 WeakPolarHBondContact O-CG1 3.32Å; E643-V702 WeakPolarHBondContact OE1-CG2 3.31Å; R645-V702 HydrophobicContact CB-CG2 3.85Å; R645-V702 HydrophobicContact CG-CG2 4.26Å; V702-P704 VanDerWaalsContact O-CD 3.29Å; V702-P704 WeakPolarHBondContact O-CD 3.43Å
703Q86.7Confident86.5Confident72 Ų7261.1 Ų61.134%0.33633%0.334SS..  trans-70.3109.1177.4-57.7-60.9-39.900109.9D698 T701D698-Q703 VanDerWaalsContact CG-NE2 3.27Å; D698-Q703 PolarHBondContact OD2-NE2 3.06Å; T701-Q703 PolarHBondContact OG1-NE2 3.41Å
704P82.5Confident85.9Confident91 Ų9161.4 Ų61.459%0.59133%0.334SS*.PPolyproline II helixtrans-71.1141.7-176.630.3-34.4000110.8V702 L706V702-P704 VanDerWaalsContact O-CD 3.29Å; V702-P704 WeakPolarHBondContact O-CD 3.43Å; P704-L706 PolarHBondContact O-N 3.21Å
705P80.4Confident85.4Confident25 Ų2562.2 Ų62.216%0.16233%0.333CS..PPolyproline II helixtrans-65.5124.8176.327.3-34.7000110.7N433 Q710N433-P705 HydrophobicContact CB-CG 4.39Å; P705-Q710 HydrophobicContact CB-CG 4.13Å; P705-Q710 HydrophobicContact CG-CG 4.32Å; P705-Q710 PolarHBondContact O-NE2 2.92Å
706L84Confident85.1Confident119 Ų11965.9 Ų65.962%0.62335%0.347SS*.PPolyproline II helixtrans-54.9139.7176.8-65.5174.4000111.2P704 E708 V709 Q710P704-L706 PolarHBondContact O-N 3.21Å; L706-E708 PolarHBondContact O-N 3.47Å; L706-V709 HydrophobicContact CB-CB 4.39Å; L706-V709 HydrophobicContact CB-CG2 4.16Å; L706-V709 WeakPolarHBondContact O-CB 3.5Å; L706-V709 PolarHBondContact O-N 3.21Å; L706-Q710 PolarHBondContact O-N 2.85Å; L706-Q710 VanDerWaalsContact O-N 3.07Å
707K81.2Confident84.2Confident127 Ų12766.2 Ų66.255%0.55235%0.349SS*.Hα-helixtrans-56.4-36.6-177.8-66.2-166.5-178.7-174.20112.5D552 Q710 T711D552-K707 IonicContact OD1-NZ 3.94Å; D552-K707 PolarHBondContact OD1-NZ 2.72Å; K707-Q710 WeakPolarHBondContact O-CB 3.36Å; K707-Q710 PolarHBondContact O-N 3.12Å; K707-T711 PolarHBondContact O-N 3.33Å; K707-T711 PolarHBondContact O-OG1 2.79Å
708E80.7Confident83.2Confident158 Ų15867.5 Ų67.574%0.73835%0.353SS*.Hα-helixtrans-62.5-42.1175-63.4170.2-175.900112.9L706 Q710 T711 L712L706-E708 PolarHBondContact O-N 3.47Å; E708-Q710 VanDerWaalsContact C-N 3.31Å; E708-Q710 PolarHBondContact O-N 3.22Å; E708-T711 PolarHBondContact O-N 2.78Å; E708-T711 PolarHBondContact O-OG1 3.01Å; E708-L712 WeakPolarHBondContact O-CB 3.42Å; E708-L712 PolarHBondContact O-N 3.37Å
709V80.6Confident82.1Confident46 Ų4667.4 Ų67.428%0.27936%0.358SS..Hα-helixtrans-66.6-35.7176.4170.60000110.9L426 L706 A713L426-V709 HydrophobicContact CB-CG1 4.15Å; L426-V709 HydrophobicContact CD2-CG1 4.21Å; L706-V709 HydrophobicContact CB-CB 4.39Å; L706-V709 HydrophobicContact CB-CG2 4.16Å; L706-V709 WeakPolarHBondContact O-CB 3.5Å; L706-V709 PolarHBondContact O-N 3.21Å; V709-A713 WeakPolarHBondContact O-CB 3.08Å; V709-A713 PolarHBondContact O-N 2.81Å
710Q78.9Confident80.5Confident18 Ų1869.4 Ų69.48%0.08438%0.378CS..Hα-helixtrans-66-47.3173.8-59.3174.53500111.5Q554 P705 L706 K707 E708 L712 A713 D714Q554-Q710 VanDerWaalsContact NE2-CD 3.28Å; Q554-Q710 VanDerWaalsContact OE1-CD 3.24Å; P705-Q710 HydrophobicContact CB-CG 4.13Å; P705-Q710 HydrophobicContact CG-CG 4.32Å; P705-Q710 PolarHBondContact O-NE2 2.92Å; L706-Q710 PolarHBondContact O-N 2.85Å; L706-Q710 VanDerWaalsContact O-N 3.07Å; K707-Q710 WeakPolarHBondContact O-CB 3.36Å; K707-Q710 PolarHBondContact O-N 3.12Å; E708-Q710 VanDerWaalsContact C-N 3.31Å; E708-Q710 PolarHBondContact O-N 3.22Å; Q710-L712 VanDerWaalsContact C-N 3.28Å; Q710-L712 PolarHBondContact O-N 3.35Å; Q710-A713 PolarHBondContact O-N 3.2Å; Q710-D714 WeakPolarHBondContact O-CB 3.45Å; Q710-D714 PolarHBondContact O-N 2.8Å
711T81.3Confident78.9Confident81 Ų8169.3 Ų69.350%0.49738%0.377SS..Hα-helixtrans-65.4-32.6178.856.60000111.9K707 E708 N715K707-T711 PolarHBondContact O-N 3.33Å; K707-T711 PolarHBondContact O-OG1 2.79Å; E708-T711 PolarHBondContact O-N 2.78Å; E708-T711 PolarHBondContact O-OG1 3.01Å; T711-N715 VanDerWaalsContact O-CB 3.24Å; T711-N715 WeakPolarHBondContact O-CB 3.45Å; T711-N715 PolarHBondContact O-N 3.06Å; T711-N715 PolarHBondContact O-ND2 3.34Å
712L83.8Confident76.8Confident88 Ų8873.5 Ų73.546%0.46140%0.397SS..Hα-helixtrans-62.9-51.2170.5-179.661.1000111.8L426 E708 Q710 D714 N715 L716L426-L712 HydrophobicContact CD1-CD2 4.15Å; L426-L712 HydrophobicContact CD1-CG 4.12Å; L426-L712 HydrophobicContact CD2-CD2 4.27Å; E708-L712 WeakPolarHBondContact O-CB 3.42Å; E708-L712 PolarHBondContact O-N 3.37Å; Q710-L712 VanDerWaalsContact C-N 3.28Å; Q710-L712 PolarHBondContact O-N 3.35Å; L712-D714 VanDerWaalsContact C-N 3.33Å; L712-D714 PolarHBondContact O-N 2.98Å; L712-N715 PolarHBondContact O-N 3.12Å; L712-L716 HydrophobicContact CD1-CD1 4.2Å; L712-L716 HydrophobicContact CD1-CG 4.33Å; L712-L716 HydrophobicContact CG-CD1 4.05Å; L712-L716 WeakPolarHBondContact O-CB 3.27Å; L712-L716 VanDerWaalsContact O-CG 3.28Å; L712-L716 WeakPolarHBondContact O-CG 3.11Å; L712-L716 PolarHBondContact O-N 2.99Å
713A80.7Confident74.5Confident3 Ų378.4 Ų78.43%0.02543%0.432CS..Hα-helixtrans-59.6-42.5177.500000112.6L426 V709 Q710 L716 S717L426-A713 HydrophobicContact CD1-CB 3.8Å; V709-A713 WeakPolarHBondContact O-CB 3.08Å; V709-A713 PolarHBondContact O-N 2.81Å; Q710-A713 PolarHBondContact O-N 3.2Å; A713-L716 PolarHBondContact O-N 2.84Å; A713-S717 PolarHBondContact O-N 3.29Å
714D81.6Confident72.8Confident16 Ų1681.9 Ų81.99%0.08645%0.451CS..Hα-helixtrans-68.2-40.1-179.4-671.9000110.6R539 Q710 L712 S717 K718R539-D714 IonicContact CZ-OD1 2.77Å; R539-D714 IonicContact NE-OD1 2.77Å; R539-D714 PolarHBondContact NE-OD1 2.75Å; R539-D714 IonicContact NH2-OD1 2.77Å; R539-D714 PolarHBondContact NH2-OD1 3.26Å; Q710-D714 WeakPolarHBondContact O-CB 3.45Å; Q710-D714 PolarHBondContact O-N 2.8Å; L712-D714 VanDerWaalsContact C-N 3.33Å; L712-D714 PolarHBondContact O-N 2.98Å; D714-S717 PolarHBondContact O-N 3.35Å; D714-S717 PolarHBondContact O-OG 2.89Å; D714-K718 WeakPolarHBondContact O-CG 3.31Å; D714-K718 PolarHBondContact O-N 2.98Å
715N83.1Confident71.7Confident99 Ų9981.8 Ų81.853%0.52944%0.443SS..Hα-helixtrans-64.7-41.9172-77.8-35.8000113T711 L712 S717 K718 S719T711-N715 VanDerWaalsContact O-CB 3.24Å; T711-N715 WeakPolarHBondContact O-CB 3.45Å; T711-N715 PolarHBondContact O-N 3.06Å; T711-N715 PolarHBondContact O-ND2 3.34Å; L712-N715 PolarHBondContact O-N 3.12Å; N715-S717 VanDerWaalsContact C-N 3.3Å; N715-S717 PolarHBondContact O-N 2.96Å; N715-K718 WeakPolarHBondContact O-CB 3.42Å; N715-K718 PolarHBondContact O-N 3.3Å; N715-K718 VanDerWaalsContact O-N 3.14Å; N715-S719 PolarHBondContact O-N 3.12Å
716L82.3Confident71Confident101 Ų10186.6 Ų86.653%0.52947%0.472SS..Hα-helixtrans-61-40176.2-73.1168.1000111.3L426 L712 A713 K718 S719L426-L716 HydrophobicContact CD1-CD1 4.17Å; L712-L716 HydrophobicContact CD1-CD1 4.2Å; L712-L716 HydrophobicContact CD1-CG 4.33Å; L712-L716 HydrophobicContact CG-CD1 4.05Å; L712-L716 WeakPolarHBondContact O-CB 3.27Å; L712-L716 VanDerWaalsContact O-CG 3.28Å; L712-L716 WeakPolarHBondContact O-CG 3.11Å; L712-L716 PolarHBondContact O-N 2.99Å; A713-L716 PolarHBondContact O-N 2.84Å; L716-K718 PolarHBondContact O-N 3.31Å; L716-S719 WeakPolarHBondContact O-CB 3.45Å; L716-S719 PolarHBondContact O-N 3.41Å
717S75.2Confident70.4Confident7 Ų782 Ų825%0.04945%0.448CS..Hα-helixtrans-67.3-16.6177.179.80000114.8A713 D714 N715A713-S717 PolarHBondContact O-N 3.29Å; D714-S717 PolarHBondContact O-N 3.35Å; D714-S717 PolarHBondContact O-OG 2.89Å; N715-S717 VanDerWaalsContact C-N 3.3Å; N715-S717 PolarHBondContact O-N 2.96Å
718K72.9Confident70.1Confident78 Ų7879.3 Ų79.334%0.33944%0.439SS..Hα-helixtrans-91.6-22.3175.6-72.6175.7165.7-165.10113.5E547 D714 N715 L716E547-K718 IonicContact OE1-NZ 2.8Å; E547-K718 PolarHBondContact OE1-NZ 3.34Å; E547-K718 IonicContact OE2-NZ 3.85Å; E547-K718 PolarHBondContact OE2-NZ 3.09Å; D714-K718 WeakPolarHBondContact O-CG 3.31Å; D714-K718 PolarHBondContact O-N 2.98Å; N715-K718 WeakPolarHBondContact O-CB 3.42Å; N715-K718 PolarHBondContact O-N 3.3Å; N715-K718 VanDerWaalsContact O-N 3.14Å; L716-K718 PolarHBondContact O-N 3.31Å
719S68Low69.8Low70 Ų7073.2 Ų73.249%0.4941%0.413SS..SBendtrans-60136.4171.4-167.10000108.9N715 L716 L721N715-S719 PolarHBondContact O-N 3.12Å; L716-S719 WeakPolarHBondContact O-CB 3.45Å; L716-S719 PolarHBondContact O-N 3.41Å; S719-L721 PolarHBondContact O-N 2.82Å; S719-L721 VanDerWaalsContact O-N 3.09Å
720P57.8Low69.4Low109 Ų10977.7 Ų77.771%0.70844%0.436SS*.PPolyproline II helixtrans-60.5119.2170.826.1-32.7000108.3N722P720-N722 PolarHBondContact O-N 2.98Å
721L55.7Low69.5Low77 Ų7780.3 Ų80.340%0.40345%0.448SS..PPolyproline II helixtrans-52.5138.6171-9073.2000108.5N536 S719 S723N536-L721 HydrophobicContact CB-CD1 3.9Å; S719-L721 PolarHBondContact O-N 2.82Å; S719-L721 VanDerWaalsContact O-N 3.09Å; L721-S723 PolarHBondContact O-N 2.9Å
722N45.7Very low69.6Low142 Ų14278.2 Ų78.276%0.75944%0.436SS*.  trans-62.683.8176.9-74.9-25.5000110.6P720 I724P720-N722 PolarHBondContact O-N 2.98Å; N722-I724 WeakPolarHBondContact O-CB 3.5Å; N722-I724 WeakPolarHBondContact O-CD1 3.37Å; N722-I724 WeakPolarHBondContact O-CG1 3.43Å; N722-I724 PolarHBondContact O-N 3.46Å
723S42Very low69.7Low120 Ų12074.1 Ų74.184%0.83942%0.415SS*.SBendtrans43.5-2.6158.258.10000121.6L721L721-S723 PolarHBondContact O-N 2.9Å
724I50.3Low69.9Low144 Ų14480.1 Ų80.174%0.73844%0.44SS*.SBendtrans-100.3-24.1-160.9-67160.3000113.2N722N722-I724 WeakPolarHBondContact O-CB 3.5Å; N722-I724 WeakPolarHBondContact O-CD1 3.37Å; N722-I724 WeakPolarHBondContact O-CG1 3.43Å; N722-I724 PolarHBondContact O-N 3.46Å
725Q59Low70.2Confident89 Ų8980.1 Ų80.142%0.41644%0.44SS..  trans-134.499.7178.5-67.2-171.3-5.400112.5K529K529-Q725 PolarHBondContact O-NE2 3.23Å; K529-Q725 PolarHBondContact O-OE1 3.4Å
726T65.3Low70.3Confident126 Ų12678.5 Ų78.577%0.77344%0.437SS*.  trans-79.7142.5157.150.40000109.6
727M71.5Confident70.6Confident23 Ų2374.3 Ų74.311%0.11342%0.415CS..  trans-58141.2169.1-58.2176.5-171.700111L497 Q498 A533 A537 T729L497-M727 HydrophobicContact CD2-CE 3.84Å; L497-M727 HydrophobicContact CD2-SD 4.31Å; L497-M727 HydrophobicContact CG-CE 4.17Å; Q498-M727 HydrophobicContact CG-CE 4.34Å; Q498-M727 HydrophobicContact CG-SD 3.59Å; Q498-M727 VanDerWaalsContact CG-SD 3.59Å; A533-M727 HydrophobicContact CB-CG 3.7Å; A533-M727 WeakPolarHBondContact O-CE 3.34Å; A537-M727 HydrophobicContact CB-CE 3.14Å; M727-T729 PolarHBondContact O-N 3.35Å
728N75Confident71.3Confident70 Ų7077.9 Ų77.937%0.37443%0.433SS..  trans-86.885.7172.4-176.622.2000110.2D530 N730 E731D530-N728 PolarHBondContact OD2-N 3.25Å; N728-N730 PolarHBondContact O-N 3.28Å; N728-N730 VanDerWaalsContact O-N 3.14Å; N728-E731 WeakPolarHBondContact ND2-CB 3.41Å; N728-E731 PolarHBondContact O-N 3.07Å; N728-E731 VanDerWaalsContact O-N 3.14Å
729T74.8Confident72.3Confident30 Ų3076.2 Ų76.218%0.18443%0.429CS..THydrogen-bonded Turntrans-54.8-31.4-178.750.40000113.8E495 M727 E731E495-T729 HydrophobicContact CG-CG2 3.78Å; M727-T729 PolarHBondContact O-N 3.35Å; T729-E731 PolarHBondContact O-N 3.09Å
730N72.4Confident73.3Confident141 Ų14173.8 Ų73.875%0.75441%0.411SS*.THydrogen-bonded Turntrans-69.5-11.5-178.3-60.9-36.2000114.3N728N728-N730 PolarHBondContact O-N 3.28Å; N728-N730 VanDerWaalsContact O-N 3.14Å
731E80.2Confident75Confident73 Ų7371.1 Ų71.134%0.34139%0.388SS..SBendtrans-113114-178.5-174.6178.3-158.800111.6R528 N728 T729 K734R528-E731 IonicContact CZ-OE2 3.39Å; R528-E731 PolarHBondContact NH1-O 3.42Å; R528-E731 IonicContact NH1-OE2 3.39Å; R528-E731 IonicContact NH2-OE2 2.67Å; N728-E731 WeakPolarHBondContact ND2-CB 3.41Å; N728-E731 PolarHBondContact O-N 3.07Å; N728-E731 VanDerWaalsContact O-N 3.14Å; T729-E731 PolarHBondContact O-N 3.09Å; E731-K734 IonicContact OE1-NZ 3.83Å; E731-K734 PolarHBondContact OE1-NZ 3.49Å
732S84.2Confident76.6Confident36 Ų3669.9 Ų69.925%0.25238%0.382SS..  trans-62157.1177.354.50000113.9D492 R528 K734D492-S732 WeakPolarHBondContact O-CA 3.17Å; D492-S732 WeakPolarHBondContact O-CB 3.48Å; D492-S732 WeakPolarHBondContact OD2-CB 3.35Å; D492-S732 PolarHBondContact OD2-OG 3.22Å; R528-S732 PolarHBondContact NH1-O 2.87Å; S732-K734 PolarHBondContact O-N 3.11Å
733I85.6Confident78.9Confident3 Ų363.2 Ų63.22%0.01535%0.346CS..  trans-68.8121.1174-60169000108.2L477 D492 L494 L735L477-I733 HydrophobicContact CG-CD1 4.02Å; D492-I733 WeakPolarHBondContact O-CG1 3.22Å; D492-I733 PolarHBondContact O-N 3.24Å; L494-I733 HydrophobicContact CD2-CD1 4.07Å; L494-I733 HydrophobicContact CD2-CG1 3.91Å; L494-I733 HydrophobicContact CG-CG1 4.37Å; I733-L735 HydrophobicContact CG2-CD2 4.49Å
734K85.4Confident81.4Confident128 Ų12857.7 Ų57.756%0.55731%0.307SS*.  trans-114.2136.2178-63.9164-168.4157.70108.6E731 S732E731-K734 IonicContact OE1-NZ 3.83Å; E731-K734 PolarHBondContact OE1-NZ 3.49Å; S732-K734 PolarHBondContact O-N 3.11Å
735L88.3Confident83.5Confident16 Ų1653.8 Ų53.88%0.08429%0.287CS..  trans-115152.5172.4-55.7179.6000108.9G449 N451 P479 E524 I733 L738G449-L735 WeakPolarHBondContact O-CD2 3.39Å; N451-L735 HydrophobicContact CB-CD1 3.83Å; P479-L735 HydrophobicContact CG-CB 4.28Å; P479-L735 HydrophobicContact CG-CD1 3.72Å; P479-L735 HydrophobicContact CG-CG 3.73Å; E524-L735 HydrophobicContact CB-CD2 4.13Å; E524-L735 HydrophobicContact CG-CD2 3.87Å; E524-L735 VanDerWaalsContact OE2-CA 3.24Å; E524-L735 WeakPolarHBondContact OE2-CA 3.29Å; E524-L735 WeakPolarHBondContact OE2-CB 3.49Å; I733-L735 HydrophobicContact CG2-CD2 4.49Å; L735-L738 HydrophobicContact CB-CD2 4.04Å
736S85.8Confident85Confident65 Ų6551.1 Ų51.146%0.45528%0.277SS..SBendtrans-86.9-32.7174.159.80000111.9E524 L738E524-S736 VanDerWaalsContact CD-N 3.29Å; E524-S736 VanDerWaalsContact CD-OG 3.3Å; E524-S736 VanDerWaalsContact OE1-CB 3.31Å; E524-S736 WeakPolarHBondContact OE1-CB 3.32Å; E524-S736 PolarHBondContact OE1-N 3.23Å; E524-S736 PolarHBondContact OE1-OG 2.84Å; E524-S736 PolarHBondContact OE2-N 3.09Å; E524-S736 PolarHBondContact OE2-OG 2.82Å; S736-L738 PolarHBondContact O-N 3.43Å
737L88.7Confident86.3Confident13 Ų1345.5 Ų45.57%0.06824%0.242CC..  trans-9480.7-179.9-56.1-176.5000110.4N451 F454 E455 D742 T746N451-L737 PolarHBondContact ND2-O 3.41Å; F454-L737 HydrophobicContact CB-CB 3.83Å; F454-L737 HydrophobicContact CB-CD1 4.01Å; F454-L737 HydrophobicContact CD2-CB 4.26Å; E455-L737 HydrophobicContact CG-CD1 4.43Å; L737-D742 HydrophobicContact CD2-CB 4.12Å; L737-T746 HydrophobicContact CD1-CG2 4.38Å; L737-T746 HydrophobicContact CD2-CG2 3.95Å
738L89.7Confident87.4Confident83 Ų8344.6 Ų44.644%0.43524%0.238SC..  trans-96.9-32.5179.5-65.6176.8000113P479 V481 L735 S736P479-L738 HydrophobicContact CB-CD2 4.24Å; P479-L738 HydrophobicContact CG-CD2 3.96Å; V481-L738 HydrophobicContact CG1-CD2 4Å; L735-L738 HydrophobicContact CB-CD2 4.04Å; S736-L738 PolarHBondContact O-N 3.43Å
739T92.2Very high88.4Confident42 Ų4241.3 Ų41.326%0.25822%0.22SC..SBendtrans-132.7162.3-175.567.30000112.6K741 D742 Y743T739-K741 VanDerWaalsContact C-N 3.26Å; T739-K741 PolarHBondContact O-N 3.46Å; T739-K741 WeakPolarHBondContact OG1-CE 3.44Å; T739-K741 WeakPolarHBondContact OG1-CG 3.38Å; T739-K741 PolarHBondContact OG1-NZ 3.24Å; T739-D742 WeakPolarHBondContact CA-OD2 3.5Å; T739-D742 WeakPolarHBondContact CB-OD2 3.11Å; T739-D742 PolarHBondContact N-OD2 3.07Å; T739-D742 WeakPolarHBondContact O-CB 3.19Å; T739-D742 PolarHBondContact O-N 2.96Å; T739-D742 VanDerWaalsContact OG1-CG 3.3Å; T739-D742 PolarHBondContact OG1-OD2 3.33Å; T739-Y743 PolarHBondContact O-N 3Å
740L90.5Very high89.4Confident20 Ų2039.9 Ų39.911%0.10521%0.211CC..Hα-helixtrans-65.1-27.6-172.8-171.668.2000113.1F254 E256 F454 D742 Y743 Y744 V763F254-L740 HydrophobicContact CB-CD2 3.73Å; F254-L740 HydrophobicContact CD1-CD2 4.48Å; F254-L740 HydrophobicContact CG-CD2 4.45Å; E256-L740 HydrophobicContact CB-CD1 4.08Å; F454-L740 HydrophobicContact CE1-CD1 3.75Å; F454-L740 HydrophobicContact CZ-CB 4.28Å; F454-L740 HydrophobicContact CZ-CD1 4.31Å; L740-D742 VanDerWaalsContact C-N 3.29Å; L740-D742 PolarHBondContact O-N 3.46Å; L740-Y743 HydrophobicContact CD1-CD1 3.82Å; L740-Y743 HydrophobicContact CD1-CG 4.44Å; L740-Y743 PolarHBondContact O-N 2.81Å; L740-Y744 HydrophobicContact CD1-CE2 4.26Å; L740-Y744 HydrophobicContact CD2-CE2 4.03Å; L740-Y744 HydrophobicContact CG-CD2 4.38Å; L740-Y744 HydrophobicContact CG-CE2 3.69Å; L740-Y744 WeakPolarHBondContact O-CD2 3.17Å; L740-Y744 PolarHBondContact O-N 3.39Å; L740-V763 HydrophobicContact CD2-CG2 4.08Å; L740-V763 HydrophobicContact CG-CG2 4.41Å
741K92.1Very high90.4Very high52 Ų5237.1 Ų37.123%0.22619%0.191CC..Hα-helixtrans-63.6-32.717153.8168179.3-62.70112.9T739 V760 V763 Q764 E767T739-K741 VanDerWaalsContact C-N 3.26Å; T739-K741 PolarHBondContact O-N 3.46Å; T739-K741 WeakPolarHBondContact OG1-CE 3.44Å; T739-K741 WeakPolarHBondContact OG1-CG 3.38Å; T739-K741 PolarHBondContact OG1-NZ 3.24Å; K741-V760 HydrophobicContact CB-CG1 4.26Å; K741-V760 WeakPolarHBondContact O-CG2 3.02Å; K741-V763 HydrophobicContact CB-CB 4.45Å; K741-V763 HydrophobicContact CB-CG1 3.99Å; K741-Q764 HydrophobicContact CD-CG 4.32Å; K741-E767 WeakPolarHBondContact CD-OE2 3.28Å; K741-E767 WeakPolarHBondContact CE-OE2 3.34Å; K741-E767 IonicContact NZ-OE1 2.69Å; K741-E767 PolarHBondContact NZ-OE1 3.1Å; K741-E767 IonicContact NZ-OE2 2.72Å; K741-E767 PolarHBondContact NZ-OE2 2.59Å
742D90.4Very high91.2Very high52 Ų5233.8 Ų33.828%0.27818%0.175SC..Hα-helixtrans-75.3-38.2179.8-43.8-47000110L737 T739 L740 Y744 I745L737-D742 HydrophobicContact CD2-CB 4.12Å; T739-D742 WeakPolarHBondContact CA-OD2 3.5Å; T739-D742 WeakPolarHBondContact CB-OD2 3.11Å; T739-D742 PolarHBondContact N-OD2 3.07Å; T739-D742 WeakPolarHBondContact O-CB 3.19Å; T739-D742 PolarHBondContact O-N 2.96Å; T739-D742 VanDerWaalsContact OG1-CG 3.3Å; T739-D742 PolarHBondContact OG1-OD2 3.33Å; L740-D742 VanDerWaalsContact C-N 3.29Å; L740-D742 PolarHBondContact O-N 3.46Å; D742-Y744 PolarHBondContact O-N 3.49Å; D742-I745 PolarHBondContact O-N 3.01Å
743Y94Very high91.8Very high2 Ų232 Ų321%0.00816%0.163CC..Hα-helixtrans-56.5-43.1177.7163.9-104.8000113.7E256 K328 F454 P457 T739 L740 I745E256-Y743 HydrophobicContact CB-CD1 4.13Å; E256-Y743 HydrophobicContact CB-CE1 3.71Å; E256-Y743 HydrophobicContact CB-CE2 4.43Å; E256-Y743 PolarHBondContact O-OH 3.18Å; K328-Y743 HydrophobicContact CB-CE1 4.42Å; K328-Y743 HydrophobicContact CB-CE2 4.47Å; K328-Y743 WeakPolarHBondContact CB-OH 3.2Å; K328-Y743 WeakPolarHBondContact CE-O 3.27Å; K328-Y743 PolarHBondContact N-OH 3.36Å; K328-Y743 PolarHBondContact NZ-O 2.87Å; F454-Y743 HydrophobicContact CB-CD2 3.84Å; F454-Y743 HydrophobicContact CB-CG 4.3Å; F454-Y743 AromaticContact CD1-CD2 3.97Å; F454-Y743 HydrophobicContact CD1-CD2 3.97Å; F454-Y743 AromaticContact CD1-CG 3.84Å; F454-Y743 HydrophobicContact CD1-CG 3.84Å; F454-Y743 HydrophobicContact CG-CD2 4.22Å; F454-Y743 HydrophobicContact CG-CG 4.23Å; F454-Y743 WeakPolarHBondContact O-CD2 3.42Å; P457-Y743 HydrophobicContact CG-CE2 3.62Å; T739-Y743 PolarHBondContact O-N 3Å; L740-Y743 HydrophobicContact CD1-CD1 3.82Å; L740-Y743 HydrophobicContact CD1-CG 4.44Å; L740-Y743 PolarHBondContact O-N 2.81Å; Y743-I745 VanDerWaalsContact C-N 3.29Å; Y743-I745 PolarHBondContact O-N 3.47Å
744Y94.3Very high92.3Very high4 Ų436.2 Ų36.22%0.01618%0.182CC..THydrogen-bonded Turntrans-69.4-18.4-171.8-73.4-55.7000114.7S255 D327 L740 D742 S750 M756 C759 V760 V763S255-Y744 PolarHBondContact O-OH 3.35Å; D327-Y744 HydrophobicContact CB-CE1 4.46Å; L740-Y744 HydrophobicContact CD1-CE2 4.26Å; L740-Y744 HydrophobicContact CD2-CE2 4.03Å; L740-Y744 HydrophobicContact CG-CD2 4.38Å; L740-Y744 HydrophobicContact CG-CE2 3.69Å; L740-Y744 WeakPolarHBondContact O-CD2 3.17Å; L740-Y744 PolarHBondContact O-N 3.39Å; D742-Y744 PolarHBondContact O-N 3.49Å; Y744-S750 WeakPolarHBondContact O-CB 3.27Å; Y744-M756 HydrophobicContact CD1-CE 4.39Å; Y744-M756 HydrophobicContact CD1-SD 3.74Å; Y744-M756 HydrophobicContact CG-SD 4.36Å; Y744-M756 WeakPolarHBondContact O-CB 3.46Å; Y744-M756 WeakPolarHBondContact O-CG 3.39Å; Y744-C759 HydrophobicContact CD1-CB 4.06Å; Y744-C759 HydrophobicContact CD2-CB 3.62Å; Y744-C759 HydrophobicContact CE1-CB 4.13Å; Y744-C759 HydrophobicContact CE2-CB 3.66Å; Y744-C759 HydrophobicContact CG-CB 3.84Å; Y744-V760 HydrophobicContact CD2-CG2 4.4Å; Y744-V763 HydrophobicContact CE2-CG2 3.95Å
745I93.5Very high92.8Very high62 Ų6230.6 Ų30.632%0.31816%0.159SC..  trans-133.691.2-174.6-60.1-176.1000110.8D742 Y743 R751 M756 V760D742-I745 PolarHBondContact O-N 3.01Å; Y743-I745 VanDerWaalsContact C-N 3.29Å; Y743-I745 PolarHBondContact O-N 3.47Å; I745-R751 HydrophobicContact CG2-CB 4.31Å; I745-R751 HydrophobicContact CG2-CG 3.33Å; I745-M756 HydrophobicContact CG1-CB 4.18Å; I745-V760 HydrophobicContact CD1-CB 4.21Å; I745-V760 HydrophobicContact CD1-CG2 3.54Å; I745-V760 HydrophobicContact CG1-CG2 3.68Å
746T91.6Very high93.2Very high33 Ų3329.8 Ų29.820%0.20216%0.155CC..  trans-116-23-173.840.20000115.1K328 L737 S750 R751K328-T746 WeakPolarHBondContact CE-OG1 3.43Å; K328-T746 VanDerWaalsContact NZ-CG2 3.33Å; K328-T746 PolarHBondContact NZ-OG1 2.97Å; L737-T746 HydrophobicContact CD1-CG2 4.38Å; L737-T746 HydrophobicContact CD2-CG2 3.95Å; T746-S750 PolarHBondContact N-OG 2.81Å; T746-R751 PolarHBondContact O-NH1 2.89Å
747D92.5Very high93.7Very high8 Ų829 Ų294%0.04315%0.153CC..SBendtrans-151.1172.4-159.559.480.5000110.5M293 F392 I749 S750 R751M293-D747 VanDerWaalsContact CE-OD1 3.31Å; M293-D747 WeakPolarHBondContact CE-OD1 3.48Å; M293-D747 WeakPolarHBondContact CE-OD2 3.25Å; F392-D747 HydrophobicContact CE2-CB 3.79Å; F392-D747 HydrophobicContact CZ-CB 3.62Å; F392-D747 WeakPolarHBondContact CZ-OD1 3.33Å; D747-I749 VanDerWaalsContact C-N 3.3Å; D747-I749 PolarHBondContact O-N 3Å; D747-I749 WeakPolarHBondContact OD1-CA 3.19Å; D747-I749 WeakPolarHBondContact OD1-CB 3.34Å; D747-I749 PolarHBondContact OD1-N 3.21Å; D747-S750 PolarHBondContact N-OG 2.84Å; D747-S750 VanDerWaalsContact N-OG 3.11Å; D747-S750 PolarHBondContact O-N 3.46Å; D747-S750 PolarHBondContact O-OG 3.43Å; D747-S750 PolarHBondContact OD1-N 2.88Å; D747-S750 PolarHBondContact OD1-OG 3.19Å; D747-S750 WeakPolarHBondContact OD2-CB 3.27Å; D747-S750 PolarHBondContact OD2-OG 3.01Å; D747-R751 VanDerWaalsContact O-CB 3.28Å; D747-R751 WeakPolarHBondContact O-CB 3.49Å; D747-R751 VanDerWaalsContact O-CG 3.3Å; D747-R751 WeakPolarHBondContact O-CG 3.43Å; D747-R751 PolarHBondContact O-N 2.91Å
748C94Very high94Very high4 Ų433.5 Ų33.53%0.02717%0.171CC..Hα-helixtrans-69.4-23.4-173.856.70000113.9D594 H615 D617 A752D594-C748 HydrophobicContact CB-CB 4.45Å; H615-C748 HydrophobicContact CB-CB 3.97Å; D617-C748 HydrophobicContact CB-CB 4.05Å; D617-C748 VanDerWaalsContact OD2-CB 3.29Å; D617-C748 WeakPolarHBondContact OD2-CB 3.46Å; C748-A752 VanDerWaalsContact O-CB 3.27Å; C748-A752 WeakPolarHBondContact O-CB 3.37Å; C748-A752 PolarHBondContact O-N 2.94Å; C748-A752 VanDerWaalsContact O-N 3.11Å
749I96.2Very high94.3Very high0 Ų029.6 Ų29.60%015%0.151CC..Hα-helixtrans-78.1-45.8176.6-52.7175.2000109.8M293 S332 L336 F392 H615 Y632 D747 A752 S753M293-I749 HydrophobicContact CE-CB 4.23Å; M293-I749 HydrophobicContact SD-CB 4.18Å; M293-I749 HydrophobicContact SD-CD1 4.08Å; M293-I749 HydrophobicContact SD-CG2 4.36Å; S332-I749 WeakPolarHBondContact O-CG2 3.42Å; L336-I749 HydrophobicContact CD2-CD1 4.02Å; L336-I749 HydrophobicContact CD2-CG1 4.41Å; L336-I749 HydrophobicContact CD2-CG2 3.99Å; L336-I749 HydrophobicContact CG-CG2 4.19Å; F392-I749 HydrophobicContact CD1-CD1 4.48Å; F392-I749 HydrophobicContact CD2-CD1 4.08Å; F392-I749 HydrophobicContact CD2-CG1 4.32Å; F392-I749 HydrophobicContact CE1-CD1 4.06Å; F392-I749 HydrophobicContact CE2-CB 4.42Å; F392-I749 HydrophobicContact CE2-CD1 3.63Å; F392-I749 HydrophobicContact CE2-CG1 3.62Å; F392-I749 HydrophobicContact CG-CD1 4.47Å; F392-I749 HydrophobicContact CZ-CB 4.38Å; F392-I749 HydrophobicContact CZ-CD1 3.6Å; F392-I749 HydrophobicContact CZ-CG1 3.89Å; H615-I749 WeakPolarHBondContact CE1-CG1 3.48Å; Y632-I749 HydrophobicContact CD1-CD1 4.02Å; Y632-I749 HydrophobicContact CE1-CD1 3.95Å; D747-I749 VanDerWaalsContact C-N 3.3Å; D747-I749 PolarHBondContact O-N 3Å; D747-I749 WeakPolarHBondContact OD1-CA 3.19Å; D747-I749 WeakPolarHBondContact OD1-CB 3.34Å; D747-I749 PolarHBondContact OD1-N 3.21Å; I749-A752 PolarHBondContact O-N 3.48Å; I749-S753 PolarHBondContact O-N 3.14Å
750S95Very high94.5Very high0 Ų028.6 Ų28.60%015%0.145CC..Hα-helixtrans-69.9-32176.1600000112.9Y744 T746 D747 S753Y744-S750 WeakPolarHBondContact O-CB 3.27Å; T746-S750 PolarHBondContact N-OG 2.81Å; D747-S750 PolarHBondContact N-OG 2.84Å; D747-S750 VanDerWaalsContact N-OG 3.11Å; D747-S750 PolarHBondContact O-N 3.46Å; D747-S750 PolarHBondContact O-OG 3.43Å; D747-S750 PolarHBondContact OD1-N 2.88Å; D747-S750 PolarHBondContact OD1-OG 3.19Å; D747-S750 WeakPolarHBondContact OD2-CB 3.27Å; D747-S750 PolarHBondContact OD2-OG 3.01Å; S750-S753 WeakPolarHBondContact O-CB 3.35Å; S750-S753 PolarHBondContact O-N 2.85Å
751R95Very high94.7Very high84 Ų8433 Ų3332%0.31716%0.163SC..Hα-helixtrans-65.1-39.2168.4-77.4-174.2-66.2-92.78.9112.8D617 I745 T746 D747 S753D617-R751 IonicContact OD1-NE 2.65Å; D617-R751 IonicContact OD2-CZ 2.7Å; D617-R751 IonicContact OD2-NE 3Å; D617-R751 PolarHBondContact OD2-NE 2.89Å; D617-R751 IonicContact OD2-NH2 2.91Å; D617-R751 PolarHBondContact OD2-NH2 2.88Å; I745-R751 HydrophobicContact CG2-CB 4.31Å; I745-R751 HydrophobicContact CG2-CG 3.33Å; T746-R751 PolarHBondContact O-NH1 2.89Å; D747-R751 VanDerWaalsContact O-CB 3.28Å; D747-R751 WeakPolarHBondContact O-CB 3.49Å; D747-R751 VanDerWaalsContact O-CG 3.3Å; D747-R751 WeakPolarHBondContact O-CG 3.43Å; D747-R751 PolarHBondContact O-N 2.91Å; R751-S753 VanDerWaalsContact C-N 3.33Å
752A95.7Very high94.8Very high2 Ų231.2 Ų31.22%0.01716%0.158CC..Hα-helixtrans-76.5-18.5175.500000113.5R338 Q339 H615 C748 I749 Q754R338-A752 PolarHBondContact NH1-O 3.47Å; Q339-A752 HydrophobicContact CB-CB 4.46Å; H615-A752 VanDerWaalsContact NE2-CB 3.27Å; H615-A752 WeakPolarHBondContact NE2-CB 3.32Å; C748-A752 VanDerWaalsContact O-CB 3.27Å; C748-A752 WeakPolarHBondContact O-CB 3.37Å; C748-A752 PolarHBondContact O-N 2.94Å; C748-A752 VanDerWaalsContact O-N 3.11Å; I749-A752 PolarHBondContact O-N 3.48Å; A752-Q754 PolarHBondContact O-N 2.81Å
753S96.9Very high94.9Very high0 Ų029.1 Ų29.10%015%0.147CC..  trans-64.2124.6179.9175.40000111.8D334 I749 S750 R751 T755 M756 A757D334-S753 WeakPolarHBondContact OD1-CA 3.36Å; D334-S753 WeakPolarHBondContact OD1-CB 3.47Å; D334-S753 PolarHBondContact OD1-OG 2.86Å; D334-S753 PolarHBondContact OD2-OG 2.78Å; I749-S753 PolarHBondContact O-N 3.14Å; S750-S753 WeakPolarHBondContact O-CB 3.35Å; S750-S753 PolarHBondContact O-N 2.85Å; R751-S753 VanDerWaalsContact C-N 3.33Å; S753-T755 PolarHBondContact OG-N 2.57Å; S753-M756 WeakPolarHBondContact OG-CG 3.48Å; S753-M756 PolarHBondContact OG-N 3.03Å; S753-A757 PolarHBondContact O-N 3.22Å
754Q96.3Very high94.9Very high90 Ų9034.5 Ų34.542%0.42117%0.172SC..Hα-helixtrans-77.5-19.1175.1-153.7-177.980.300111.2D334 A752 K758D334-Q754 WeakPolarHBondContact OD2-CA 3.34Å; D334-Q754 WeakPolarHBondContact OD2-CB 3.43Å; D334-Q754 PolarHBondContact OD2-N 2.8Å; A752-Q754 PolarHBondContact O-N 2.81Å; Q754-K758 WeakPolarHBondContact O-CD 3.25Å; Q754-K758 VanDerWaalsContact O-CG 3.28Å; Q754-K758 WeakPolarHBondContact O-CG 3.43Å
755T96.7Very high94.7Very high10 Ų1040.2 Ų40.26%0.06120%0.199CC..Hα-helixtrans-82-46.7177.2-57.70000111.4L207 P274 F331 D334 S753 A757 K758 C759L207-T755 HydrophobicContact CD2-CG2 3.62Å; P274-T755 HydrophobicContact CB-CG2 4.4Å; P274-T755 HydrophobicContact CG-CG2 3.56Å; F331-T755 HydrophobicContact CB-CG2 4.05Å; D334-T755 WeakPolarHBondContact OD2-CB 3.38Å; D334-T755 PolarHBondContact OD2-N 3Å; D334-T755 PolarHBondContact OD2-OG1 3.37Å; S753-T755 PolarHBondContact OG-N 2.57Å; T755-A757 VanDerWaalsContact C-N 3.32Å; T755-A757 PolarHBondContact O-N 2.89Å; T755-K758 WeakPolarHBondContact O-CB 3.47Å; T755-K758 PolarHBondContact O-N 3.1Å; T755-C759 PolarHBondContact O-N 2.91Å; T755-C759 PolarHBondContact O-SG 2.89Å
756M96.3Very high94.3Very high0 Ų041.4 Ų41.40%021%0.206CC..Hα-helixtrans-60.5-41175-63.5-61.494.300111.7L207 F331 Y744 I745 S753 K758 C759 V760L207-M756 HydrophobicContact CD2-CE 4.49Å; F331-M756 HydrophobicContact CB-CE 3.65Å; Y744-M756 HydrophobicContact CD1-CE 4.39Å; Y744-M756 HydrophobicContact CD1-SD 3.74Å; Y744-M756 HydrophobicContact CG-SD 4.36Å; Y744-M756 WeakPolarHBondContact O-CB 3.46Å; Y744-M756 WeakPolarHBondContact O-CG 3.39Å; I745-M756 HydrophobicContact CG1-CB 4.18Å; S753-M756 WeakPolarHBondContact OG-CG 3.48Å; S753-M756 PolarHBondContact OG-N 3.03Å; M756-K758 VanDerWaalsContact C-N 3.29Å; M756-K758 PolarHBondContact O-N 3.02Å; M756-C759 WeakPolarHBondContact O-CA 3.3Å; M756-C759 WeakPolarHBondContact O-CB 3.39Å; M756-C759 PolarHBondContact O-N 2.66Å; M756-V760 PolarHBondContact O-N 2.8Å
757A96.1Very high93.6Very high49 Ų4947 Ų4741%0.40523%0.23SC..Hα-helixtrans-58.8-36.3173.300000113.3S753 T755 K761S753-A757 PolarHBondContact O-N 3.22Å; T755-A757 VanDerWaalsContact C-N 3.32Å; T755-A757 PolarHBondContact O-N 2.89Å; A757-K761 WeakPolarHBondContact O-CB 3.08Å; A757-K761 PolarHBondContact O-N 2.96Å; A757-K761 VanDerWaalsContact O-N 3.1Å
758K95.9Very high93.7Very high107 Ų10748.9 Ų48.947%0.46524%0.239SC..Hα-helixtrans-71.4-31.2172.6-70.1164.5-170.2164.80112.4P206 Q754 T755 M756 A762P206-K758 HydrophobicContact CB-CB 4.32Å; Q754-K758 WeakPolarHBondContact O-CD 3.25Å; Q754-K758 VanDerWaalsContact O-CG 3.28Å; Q754-K758 WeakPolarHBondContact O-CG 3.43Å; T755-K758 WeakPolarHBondContact O-CB 3.47Å; T755-K758 PolarHBondContact O-N 3.1Å; M756-K758 VanDerWaalsContact C-N 3.29Å; M756-K758 PolarHBondContact O-N 3.02Å; K758-A762 VanDerWaalsContact O-CB 3.28Å; K758-A762 WeakPolarHBondContact O-CB 3.4Å; K758-A762 PolarHBondContact O-N 3.06Å
759C95.7Very high93.7Very high1 Ų151.3 Ų51.31%0.00725%0.25CS..Hα-helixtrans-70.2-48.4176.8-59.90000111.3P206 L207 Y744 T755 M756 K761 A762 V763P206-C759 HydrophobicContact CG-CB 4.43Å; L207-C759 WeakPolarHBondContact CD2-SG 3.08Å; Y744-C759 HydrophobicContact CD1-CB 4.06Å; Y744-C759 HydrophobicContact CD2-CB 3.62Å; Y744-C759 HydrophobicContact CE1-CB 4.13Å; Y744-C759 HydrophobicContact CE2-CB 3.66Å; Y744-C759 HydrophobicContact CG-CB 3.84Å; T755-C759 PolarHBondContact O-N 2.91Å; T755-C759 PolarHBondContact O-SG 2.89Å; M756-C759 WeakPolarHBondContact O-CA 3.3Å; M756-C759 WeakPolarHBondContact O-CB 3.39Å; M756-C759 PolarHBondContact O-N 2.66Å; C759-K761 VanDerWaalsContact C-N 3.33Å; C759-K761 PolarHBondContact O-N 3.34Å; C759-A762 PolarHBondContact O-N 3.03Å; C759-V763 WeakPolarHBondContact O-CG2 3.35Å; C759-V763 PolarHBondContact O-N 2.72Å
760V95.6Very high93.6Very high20 Ų2054.1 Ų54.112%0.12126%0.264CS..Hα-helixtrans-56.8-47.3172.8172.70000111K741 Y744 I745 M756 A762 V763 Q764K741-V760 HydrophobicContact CB-CG1 4.26Å; K741-V760 WeakPolarHBondContact O-CG2 3.02Å; Y744-V760 HydrophobicContact CD2-CG2 4.4Å; I745-V760 HydrophobicContact CD1-CB 4.21Å; I745-V760 HydrophobicContact CD1-CG2 3.54Å; I745-V760 HydrophobicContact CG1-CG2 3.68Å; M756-V760 PolarHBondContact O-N 2.8Å; V760-A762 PolarHBondContact O-N 3.32Å; V760-V763 PolarHBondContact O-N 2.96Å; V760-Q764 HydrophobicContact CG1-CG 4.41Å; V760-Q764 WeakPolarHBondContact O-CB 3.09Å; V760-Q764 VanDerWaalsContact O-CG 3.3Å; V760-Q764 WeakPolarHBondContact O-CG 3.45Å; V760-Q764 PolarHBondContact O-N 2.92Å
761K95.7Very high93.5Very high114 Ų11457.3 Ų57.350%0.49628%0.279SS..Hα-helixtrans-58.8-47.4176.2-178.3177.8-177.8-142.70111.9A757 C759 V763 Q764 E765A757-K761 WeakPolarHBondContact O-CB 3.08Å; A757-K761 PolarHBondContact O-N 2.96Å; A757-K761 VanDerWaalsContact O-N 3.1Å; C759-K761 VanDerWaalsContact C-N 3.33Å; C759-K761 PolarHBondContact O-N 3.34Å; K761-V763 VanDerWaalsContact C-N 3.33Å; K761-V763 PolarHBondContact O-N 2.71Å; K761-Q764 CarbonylContact O-C 3.56Å; K761-Q764 PolarHBondContact O-N 3.25Å; K761-E765 WeakPolarHBondContact CE-OE1 3.4Å; K761-E765 WeakPolarHBondContact CE-OE2 3.25Å; K761-E765 HydrophobicContact CG-CG 4.48Å; K761-E765 IonicContact NZ-OE1 3.78Å; K761-E765 PolarHBondContact NZ-OE1 2.59Å; K761-E765 IonicContact NZ-OE2 2.76Å; K761-E765 PolarHBondContact NZ-OE2 3.2Å; K761-E765 WeakPolarHBondContact O-CG 3.35Å; K761-E765 PolarHBondContact O-N 3.15Å
762A94Very high93.4Very high14 Ų1455.6 Ų55.612%0.11628%0.277CS..Hα-helixtrans-63.7-38.3-178.700000112.3P206 F254 K758 C759 V760 E765 N766P206-A762 HydrophobicContact CG-CB 3.81Å; F254-A762 HydrophobicContact CE1-CB 3.94Å; F254-A762 HydrophobicContact CZ-CB 3.97Å; F254-A762 WeakPolarHBondContact CZ-O 3.36Å; K758-A762 VanDerWaalsContact O-CB 3.28Å; K758-A762 WeakPolarHBondContact O-CB 3.4Å; K758-A762 PolarHBondContact O-N 3.06Å; C759-A762 PolarHBondContact O-N 3.03Å; V760-A762 PolarHBondContact O-N 3.32Å; A762-E765 PolarHBondContact O-N 3.47Å; A762-N766 PolarHBondContact O-N 2.94Å; A762-N766 PolarHBondContact O-ND2 3.03Å
763V92.7Very high93.2Very high7 Ų759.2 Ų59.24%0.04230%0.295CS..Hα-helixtrans-63.1-47172.41720000110.3F254 L740 K741 Y744 C759 V760 K761 E765 N766 E767F254-V763 HydrophobicContact CD1-CG2 3.63Å; F254-V763 HydrophobicContact CE1-CG2 3.64Å; F254-V763 HydrophobicContact CG-CG2 4.25Å; F254-V763 HydrophobicContact CZ-CG2 4.26Å; L740-V763 HydrophobicContact CD2-CG2 4.08Å; L740-V763 HydrophobicContact CG-CG2 4.41Å; K741-V763 HydrophobicContact CB-CB 4.45Å; K741-V763 HydrophobicContact CB-CG1 3.99Å; Y744-V763 HydrophobicContact CE2-CG2 3.95Å; C759-V763 WeakPolarHBondContact O-CG2 3.35Å; C759-V763 PolarHBondContact O-N 2.72Å; V760-V763 PolarHBondContact O-N 2.96Å; K761-V763 VanDerWaalsContact C-N 3.33Å; K761-V763 PolarHBondContact O-N 2.71Å; V763-E765 PolarHBondContact O-N 3.49Å; V763-N766 CarbonylContact O-C 3.51Å; V763-N766 PolarHBondContact O-N 3.19Å; V763-E767 HydrophobicContact CG1-CG 3.76Å; V763-E767 PolarHBondContact O-N 2.88Å
764Q92.9Very high93Very high116 Ų11663.4 Ų63.454%0.54232%0.316SS..Hα-helixtrans-63.6-18.8176.8-71.8172.8-18.100114.5K741 V760 K761K741-Q764 HydrophobicContact CD-CG 4.32Å; V760-Q764 HydrophobicContact CG1-CG 4.41Å; V760-Q764 WeakPolarHBondContact O-CB 3.09Å; V760-Q764 VanDerWaalsContact O-CG 3.3Å; V760-Q764 WeakPolarHBondContact O-CG 3.45Å; V760-Q764 PolarHBondContact O-N 2.92Å; K761-Q764 CarbonylContact O-C 3.56Å; K761-Q764 PolarHBondContact O-N 3.25Å
765E91.4Very high92.7Very high123 Ų12361.4 Ų61.458%0.57531%0.307SS*.THydrogen-bonded Turntrans-89.3-0.6172.8-73.4176.714200112.9K761 A762 V763K761-E765 WeakPolarHBondContact CE-OE1 3.4Å; K761-E765 WeakPolarHBondContact CE-OE2 3.25Å; K761-E765 HydrophobicContact CG-CG 4.48Å; K761-E765 IonicContact NZ-OE1 3.78Å; K761-E765 PolarHBondContact NZ-OE1 2.59Å; K761-E765 IonicContact NZ-OE2 2.76Å; K761-E765 PolarHBondContact NZ-OE2 3.2Å; K761-E765 WeakPolarHBondContact O-CG 3.35Å; K761-E765 PolarHBondContact O-N 3.15Å; A762-E765 PolarHBondContact O-N 3.47Å; V763-E765 PolarHBondContact O-N 3.49Å
766N84.6Confident92.4Very high88 Ų8865.7 Ų65.747%0.47133%0.328SS..THydrogen-bonded Turntrans-136.1-2.1-175.9-72-100.1000114.8P252 F254 A762 V763P252-N766 WeakPolarHBondContact CD-OD1 3.45Å; F254-N766 HydrophobicContact CE2-CB 3.58Å; F254-N766 HydrophobicContact CZ-CB 4.21Å; A762-N766 PolarHBondContact O-N 2.94Å; A762-N766 PolarHBondContact O-ND2 3.03Å; V763-N766 CarbonylContact O-C 3.51Å; V763-N766 PolarHBondContact O-N 3.19Å
767E77.5Confident92Very high149 Ų14971.6 Ų71.670%0.69636%0.358SS*.  trans-83.30166.3-76.3-178.2157.800111.6K741 V763K741-E767 WeakPolarHBondContact CD-OE2 3.28Å; K741-E767 WeakPolarHBondContact CE-OE2 3.34Å; K741-E767 IonicContact NZ-OE1 2.69Å; K741-E767 PolarHBondContact NZ-OE1 3.1Å; K741-E767 IonicContact NZ-OE2 2.72Å; K741-E767 PolarHBondContact NZ-OE2 2.59Å; V763-E767 HydrophobicContact CG1-CG 3.76Å; V763-E767 PolarHBondContact O-N 2.88Å

Retrieved 767 of 767 residues in 424.1 ms (Link to these results)

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