A0A3Q0KE99_SCHMA Loading...

Sco1-related

AlphaFold DB , UniProt , Accession A0A3Q0KE99, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 231 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
1M42Very low44.9Very low245 Ų245158.7 Ų158.7100%1.20785%0.85SS**  0154.50-106.5-176.7166.400108.9
2P49.2Very low44.5Very low118 Ų118154.4 Ų154.477%0.76684%0.837SS**  -124.7176.4-108.540.6-28.2000113.9
3S42.5Very low45Very low112 Ų112152.8 Ų152.878%0.78384%0.836SS**  trans-173.7118.6130.559.80000113.6
4K45.5Very low44.9Very low208 Ų208158.9 Ų158.990%0.90484%0.84SS**  trans-13.2114158.1-65.7170.2176.11780117
5V50.4Low45.3Very low143 Ų143160 Ų16087%0.86784%0.835SS**  trans-87.7115.4155.9177.40000107.9S7V5-S7 PolarHBondContact O-N 3.25Å
6L44.8Very low46.1Very low162 Ų162164.1 Ų164.185%0.84884%0.836SS**  trans-68.6109.6173.1-80.2156000109.3R8L6-R8 PolarHBondContact O-N 3.07Å; L6-R8 VanDerWaalsContact O-N 3.07Å
7S44.9Very low46.8Very low113 Ų113159.9 Ų159.979%0.7983%0.826SS**  trans-62.3102.6170.7169.40000109.8V5 S9V5-S7 PolarHBondContact O-N 3.25Å; S7-S9 PolarHBondContact O-N 3.11Å; S7-S9 VanDerWaalsContact O-N 3.11Å
8R46.6Very low48.1Very low237 Ų237158.1 Ų158.189%0.89482%0.823SS**  trans-61.3112.1165.4-84.8179.1156.3173.7-6108L6 L10L6-R8 PolarHBondContact O-N 3.07Å; L6-R8 VanDerWaalsContact O-N 3.07Å; R8-L10 PolarHBondContact O-N 3.03Å
9S43.1Very low49.3Very low99 Ų99154.2 Ų154.269%0.69280%0.803SS**  trans-43.9111.9172.751.40000110.2S7 I11S7-S9 PolarHBondContact O-N 3.11Å; S7-S9 VanDerWaalsContact O-N 3.11Å; S9-I11 VanDerWaalsContact C-N 3.28Å; S9-I11 PolarHBondContact O-N 2.9Å
10L42.7Very low50.9Low167 Ų167148.8 Ų148.887%0.87478%0.778SS**  trans-55.694162.3-67.7157.7000107.1R8 P12R8-L10 PolarHBondContact O-N 3.03Å; L10-P12 WeakPolarHBondContact O-CD 3.18Å
11I42.3Very low52.5Low142 Ų142147.1 Ų147.173%0.72878%0.777SS**  trans-70108.7159.4-62170000103.7S9 V13S9-I11 VanDerWaalsContact C-N 3.28Å; S9-I11 PolarHBondContact O-N 2.9Å; I11-V13 PolarHBondContact O-N 2.97Å
12P40.8Very low54.5Low107 Ų107143 Ų14370%0.69576%0.755SS**  trans-70.5108.4-174.628.4-29.6000107.3L10 R14L10-P12 WeakPolarHBondContact O-CD 3.18Å; P12-R14 PolarHBondContact O-N 3.25Å
13V50.4Low56.3Low134 Ų134141.4 Ų141.481%0.81274%0.737SS**  trans-69.569.2161.6-175.10000106.8I11 F15I11-V13 PolarHBondContact O-N 2.97Å; V13-F15 HydrophobicContact CG1-CB 4.28Å; V13-F15 PolarHBondContact O-N 2.78Å
14R44.4Very low58.3Low237 Ų237142.5 Ų142.589%0.89472%0.724SS**  trans-90.457.4168.3-159177.8-169.9176.12.8107.6P12P12-R14 PolarHBondContact O-N 3.25Å
15F50Low60.3Low176 Ų176138 Ų13877%0.77271%0.708SS**  trans-98.4127.7175.3-158.3-106.5000107.5V13V13-F15 HydrophobicContact CG1-CB 4.28Å; V13-F15 PolarHBondContact O-N 2.78Å
16R57.6Low62.1Low225 Ų225138.8 Ų138.885%0.84970%0.695SS**SBendtrans97.950.3155.5-149.8-178.4-173.5177.81.6120.4
17S59.3Low64.2Low94 Ų94137.6 Ų137.666%0.65768%0.68SS**SBendtrans-146.5-10.6152.463.30000118.4
18T68.8Low66.4Low127 Ų127137 Ų13778%0.77967%0.667SS**  trans-104.625.1-173.260.80000115.5
19L72.1Confident68.6Low84 Ų84130.1 Ų130.144%0.4465%0.645SS.*  trans-76.3126.5169.8-66.6175.2000109.5E23 R24L19-E23 VanDerWaalsContact CA-OE2 3.27Å; L19-E23 WeakPolarHBondContact CA-OE2 3.27Å; L19-E23 HydrophobicContact CB-CB 3.98Å; L19-E23 HydrophobicContact CD2-CB 3.98Å; L19-E23 HydrophobicContact CG-CB 4.48Å; L19-R24 HydrophobicContact CB-CG 3.8Å; L19-R24 PolarHBondContact O-NE 3.37Å
20S81.5Confident70.9Confident45 Ų45133.3 Ų133.332%0.31564%0.642SS.*  trans-58.6158.217479.90000110.5E22 E23 R24S20-E22 PolarHBondContact O-N 3.23Å; S20-E22 VanDerWaalsContact O-N 3.12Å; S20-E23 PolarHBondContact N-OE2 3.12Å; S20-E23 PolarHBondContact O-N 2.88Å; S20-E23 WeakPolarHBondContact OG-CG 3.31Å; S20-E23 PolarHBondContact OG-N 2.86Å; S20-R24 PolarHBondContact O-N 3.26Å
21P83.4Confident73.3Confident115 Ų115127.6 Ų127.675%0.74762%0.615SS**Hα-helixtrans-51.2-36.7177.2-27.735.5000113.2M25P21-M25 PolarHBondContact O-N 3.27Å; P21-M25 VanDerWaalsContact O-N 3.15Å
22E85.4Confident75.7Confident159 Ų159123.6 Ų123.674%0.74360%0.6SS**Hα-helixtrans-68.8-43.1177-62.4-176164.500112.6S20 R24 M25 R26S20-E22 PolarHBondContact O-N 3.23Å; S20-E22 VanDerWaalsContact O-N 3.12Å; E22-R24 VanDerWaalsContact C-N 3.33Å; E22-R24 PolarHBondContact O-N 3.15Å; E22-M25 PolarHBondContact O-N 2.99Å; E22-R26 PolarHBondContact O-N 3.47Å
23E85.3Confident78.2Confident84 Ų84125.9 Ų125.939%0.39360%0.596SS.*Hα-helixtrans-66.2-35.9177.8-70.6175.9139.900112.1L19 S20 R26 Y27L19-E23 VanDerWaalsContact CA-OE2 3.27Å; L19-E23 WeakPolarHBondContact CA-OE2 3.27Å; L19-E23 HydrophobicContact CB-CB 3.98Å; L19-E23 HydrophobicContact CD2-CB 3.98Å; L19-E23 HydrophobicContact CG-CB 4.48Å; S20-E23 PolarHBondContact N-OE2 3.12Å; S20-E23 PolarHBondContact O-N 2.88Å; S20-E23 WeakPolarHBondContact OG-CG 3.31Å; S20-E23 PolarHBondContact OG-N 2.86Å; E23-R26 PolarHBondContact O-N 3.45Å; E23-Y27 VanDerWaalsContact O-CB 3.31Å; E23-Y27 WeakPolarHBondContact O-CB 3.41Å; E23-Y27 PolarHBondContact O-N 3.05Å
24R85.1Confident80.4Confident135 Ų135125.1 Ų125.151%0.50959%0.586SS.*Hα-helixtrans-63.1-44173-69-179.3-178.1-139.80.4111.3L19 S20 E22 Y27 I28L19-R24 HydrophobicContact CB-CG 3.8Å; L19-R24 PolarHBondContact O-NE 3.37Å; S20-R24 PolarHBondContact O-N 3.26Å; E22-R24 VanDerWaalsContact C-N 3.33Å; E22-R24 PolarHBondContact O-N 3.15Å; R24-Y27 PolarHBondContact O-N 2.93Å; R24-I28 VanDerWaalsContact O-CG1 3.31Å; R24-I28 WeakPolarHBondContact O-CG1 3.48Å; R24-I28 PolarHBondContact O-N 2.91Å
25M87.6Confident82.8Confident114 Ų114118.7 Ų118.756%0.56257%0.573SS**Hα-helixtrans-62-47176.9-171.663.471.300111P21 E22 Y27 I28 Q29P21-M25 PolarHBondContact O-N 3.27Å; P21-M25 VanDerWaalsContact O-N 3.15Å; E22-M25 PolarHBondContact O-N 2.99Å; M25-Y27 VanDerWaalsContact C-N 3.35Å; M25-Y27 PolarHBondContact O-N 3.31Å; M25-I28 PolarHBondContact O-N 3.2Å; M25-Q29 WeakPolarHBondContact O-CG 3.31Å; M25-Q29 PolarHBondContact O-N 3.03Å
26R87.7Confident85Confident158 Ų158115.3 Ų115.360%0.59656%0.562SS**Hα-helixtrans-58.3-46.5175.3-118171.661.9-175.6-1.9111.4E22 E23 I28 Q29 W30E22-R26 PolarHBondContact O-N 3.47Å; E23-R26 PolarHBondContact O-N 3.45Å; R26-I28 VanDerWaalsContact C-N 3.35Å; R26-I28 PolarHBondContact O-N 2.93Å; R26-Q29 WeakPolarHBondContact O-CB 3.47Å; R26-Q29 PolarHBondContact O-N 2.99Å; R26-W30 PolarHBondContact O-N 3.43Å
27Y88.9Confident86.8Confident138 Ų138107.2 Ų107.254%0.54154%0.543SS..Hα-helixtrans-58.7-45.7178.3-178.5-92.1000111.9E23 R24 M25 Q29 W30 C31E23-Y27 VanDerWaalsContact O-CB 3.31Å; E23-Y27 WeakPolarHBondContact O-CB 3.41Å; E23-Y27 PolarHBondContact O-N 3.05Å; R24-Y27 PolarHBondContact O-N 2.93Å; M25-Y27 VanDerWaalsContact C-N 3.35Å; M25-Y27 PolarHBondContact O-N 3.31Å; Y27-Q29 VanDerWaalsContact C-N 3.35Å; Y27-Q29 PolarHBondContact O-N 3.47Å; Y27-W30 PolarHBondContact O-N 3.44Å; Y27-C31 WeakPolarHBondContact CE1-SG 3.35Å; Y27-C31 PolarHBondContact O-N 3.35Å; Y27-C31 PolarHBondContact O-SG 3.34Å; Y27-C31 VanDerWaalsContact O-SG 3.37Å
28I91.8Very high88.4Confident100 Ų100104.4 Ų104.451%0.51353%0.529SS..Hα-helixtrans-60.9-44.2176-68166000110.8R24 M25 R26 W30 C31 S32R24-I28 VanDerWaalsContact O-CG1 3.31Å; R24-I28 WeakPolarHBondContact O-CG1 3.48Å; R24-I28 PolarHBondContact O-N 2.91Å; M25-I28 PolarHBondContact O-N 3.2Å; R26-I28 VanDerWaalsContact C-N 3.35Å; R26-I28 PolarHBondContact O-N 2.93Å; I28-W30 PolarHBondContact O-N 2.96Å; I28-C31 PolarHBondContact O-N 3.05Å; I28-S32 WeakPolarHBondContact O-CB 3.45Å; I28-S32 PolarHBondContact O-N 3.25Å; I28-S32 PolarHBondContact O-OG 2.95Å
29Q91.5Very high89.7Confident93 Ų93101.8 Ų101.844%0.43552%0.516SS..Hα-helixtrans-59-48.1176.3-71.8172.5-35.700111.6M25 R26 Y27 S32 Y33M25-Q29 WeakPolarHBondContact O-CG 3.31Å; M25-Q29 PolarHBondContact O-N 3.03Å; R26-Q29 WeakPolarHBondContact O-CB 3.47Å; R26-Q29 PolarHBondContact O-N 2.99Å; Y27-Q29 VanDerWaalsContact C-N 3.35Å; Y27-Q29 PolarHBondContact O-N 3.47Å; Q29-S32 WeakPolarHBondContact O-CB 3.26Å; Q29-S32 PolarHBondContact O-N 3.04Å; Q29-Y33 HydrophobicContact CB-CE2 4.22Å; Q29-Y33 WeakPolarHBondContact O-CD2 3.35Å; Q29-Y33 PolarHBondContact O-N 3.23Å
30W92.9Very high90.8Very high165 Ų165100.5 Ų100.563%0.62552%0.517SS*.Hα-helixtrans-62.3-42.8178-8492.6000112.8R26 Y27 I28 S32 Y33 I34R26-W30 PolarHBondContact O-N 3.43Å; Y27-W30 PolarHBondContact O-N 3.44Å; I28-W30 PolarHBondContact O-N 2.96Å; W30-S32 VanDerWaalsContact C-N 3.34Å; W30-S32 PolarHBondContact O-N 3.39Å; W30-Y33 PolarHBondContact O-N 3.31Å; W30-I34 WeakPolarHBondContact O-CG1 3.38Å; W30-I34 PolarHBondContact O-N 3.47Å
31C92.7Very high91.5Very high47 Ų47102.5 Ų102.532%0.31853%0.528SS..Hα-helixtrans-60.1-44.4173.8-70.70000111.5Y27 I28 Y33 I34 V35Y27-C31 WeakPolarHBondContact CE1-SG 3.35Å; Y27-C31 PolarHBondContact O-N 3.35Å; Y27-C31 PolarHBondContact O-SG 3.34Å; Y27-C31 VanDerWaalsContact O-SG 3.37Å; I28-C31 PolarHBondContact O-N 3.05Å; C31-Y33 PolarHBondContact O-N 3.5Å; C31-I34 PolarHBondContact O-N 2.85Å; C31-V35 WeakPolarHBondContact O-CG2 3Å; C31-V35 PolarHBondContact O-N 2.97Å
32S92.2Very high92.1Very high59 Ų59101.6 Ų101.641%0.41352%0.52SS..Hα-helixtrans-60.7-43.5176.6-63.50000112I28 Q29 W30 I34 V35 I36I28-S32 WeakPolarHBondContact O-CB 3.45Å; I28-S32 PolarHBondContact O-N 3.25Å; I28-S32 PolarHBondContact O-OG 2.95Å; Q29-S32 WeakPolarHBondContact O-CB 3.26Å; Q29-S32 PolarHBondContact O-N 3.04Å; W30-S32 VanDerWaalsContact C-N 3.34Å; W30-S32 PolarHBondContact O-N 3.39Å; S32-I34 PolarHBondContact O-N 3.49Å; S32-V35 PolarHBondContact O-N 3.48Å; S32-I36 VanDerWaalsContact O-CG1 3.26Å; S32-I36 WeakPolarHBondContact O-CG1 3.46Å; S32-I36 PolarHBondContact O-N 2.92Å
33Y94.5Very high92.6Very high155 Ų15596.3 Ų96.361%0.60850%0.503SS*.Hα-helixtrans-61.3-42.9176.6-74.6-58.7000112.7Q29 W30 C31 I36 A37Q29-Y33 HydrophobicContact CB-CE2 4.22Å; Q29-Y33 WeakPolarHBondContact O-CD2 3.35Å; Q29-Y33 PolarHBondContact O-N 3.23Å; W30-Y33 PolarHBondContact O-N 3.31Å; C31-Y33 PolarHBondContact O-N 3.5Å; Y33-I36 PolarHBondContact O-N 3.01Å; Y33-A37 VanDerWaalsContact O-CB 3.27Å; Y33-A37 WeakPolarHBondContact O-CB 3.27Å; Y33-A37 PolarHBondContact O-N 3.44Å
34I95Very high93.1Very high117 Ų11794.7 Ų94.760%0.651%0.505SS*.Hα-helixtrans-64.3-42.6178.3-67.7168.1000110.8W30 C31 S32 A37 G38W30-I34 WeakPolarHBondContact O-CG1 3.38Å; W30-I34 PolarHBondContact O-N 3.47Å; C31-I34 PolarHBondContact O-N 2.85Å; S32-I34 PolarHBondContact O-N 3.49Å; I34-A37 PolarHBondContact O-N 3.47Å; I34-G38 PolarHBondContact O-N 3.32Å
35V95.5Very high93.6Very high103 Ų10392.5 Ų92.562%0.62451%0.506SS*.Hα-helixtrans-64.5-43.7178.4172.40000111.2C31 S32 G38 S39C31-V35 WeakPolarHBondContact O-CG2 3Å; C31-V35 PolarHBondContact O-N 2.97Å; S32-V35 PolarHBondContact O-N 3.48Å; V35-G38 PolarHBondContact O-N 2.9Å; V35-S39 WeakPolarHBondContact O-CB 3.37Å; V35-S39 PolarHBondContact O-N 3.46Å; V35-S39 PolarHBondContact O-OG 2.92Å
36I95.7Very high93.9Very high105 Ų10589.4 Ų89.454%0.53850%0.495SS..Hα-helixtrans-66.1-44.8177.9-67.1165.7000111.1S32 Y33 G38 S39 A40S32-I36 VanDerWaalsContact O-CG1 3.26Å; S32-I36 WeakPolarHBondContact O-CG1 3.46Å; S32-I36 PolarHBondContact O-N 2.92Å; Y33-I36 PolarHBondContact O-N 3.01Å; I36-G38 VanDerWaalsContact C-N 3.35Å; I36-S39 PolarHBondContact O-N 2.87Å; I36-S39 PolarHBondContact O-OG 3.42Å; I36-A40 VanDerWaalsContact O-CB 3.27Å; I36-A40 WeakPolarHBondContact O-CB 3.4Å; I36-A40 PolarHBondContact O-N 3.23Å
37A94.8Very high94.1Very high55 Ų5587 Ų8746%0.45549%0.494SS..Hα-helixtrans-64.3-41.3177.500000111.5Y33 I34 T41Y33-A37 VanDerWaalsContact O-CB 3.27Å; Y33-A37 WeakPolarHBondContact O-CB 3.27Å; Y33-A37 PolarHBondContact O-N 3.44Å; I34-A37 PolarHBondContact O-N 3.47Å; A37-T41 WeakPolarHBondContact O-CB 3.36Å; A37-T41 PolarHBondContact O-N 2.75Å; A37-T41 PolarHBondContact O-OG1 3.46Å
38G94.6Very high94.3Very high34 Ų3484.1 Ų84.135%0.35149%0.491SS..Hα-helixtrans-63.4-46.4175.900000112.2I34 V35 I36 T41 V42I34-G38 PolarHBondContact O-N 3.32Å; V35-G38 PolarHBondContact O-N 2.9Å; I36-G38 VanDerWaalsContact C-N 3.35Å; G38-T41 PolarHBondContact O-N 2.92Å; G38-V42 WeakPolarHBondContact O-CG2 3.32Å; G38-V42 PolarHBondContact O-N 2.89Å
39S95.5Very high94.3Very high72 Ų7287.5 Ų87.550%0.50350%0.497SS..Hα-helixtrans-66.4-40.4178.768.40000112.3V35 I36 T41 V42 A43V35-S39 WeakPolarHBondContact O-CB 3.37Å; V35-S39 PolarHBondContact O-N 3.46Å; V35-S39 PolarHBondContact O-OG 2.92Å; I36-S39 PolarHBondContact O-N 2.87Å; I36-S39 PolarHBondContact O-OG 3.42Å; S39-T41 VanDerWaalsContact C-N 3.32Å; S39-T41 PolarHBondContact O-N 3.47Å; S39-V42 PolarHBondContact O-N 3.49Å; S39-A43 VanDerWaalsContact O-CB 3.32Å; S39-A43 WeakPolarHBondContact O-CB 3.42Å; S39-A43 PolarHBondContact O-N 3.46Å
40A95.6Very high94.1Very high57 Ų5787.3 Ų87.347%0.47150%0.499SS..Hα-helixtrans-61.2-41.1173.600000111.7I36 A43 A44I36-A40 VanDerWaalsContact O-CB 3.27Å; I36-A40 WeakPolarHBondContact O-CB 3.4Å; I36-A40 PolarHBondContact O-N 3.23Å; A40-A43 PolarHBondContact O-N 3.28Å; A40-A44 WeakPolarHBondContact O-CB 3.27Å; A40-A44 PolarHBondContact O-N 2.69Å
41T95.7Very high93.7Very high88 Ų8886.7 Ų86.754%0.5450%0.501SS..Hα-helixtrans-64.7-46.8177.3-53.30000111.2A37 G38 S39 A43 A44 V45A37-T41 WeakPolarHBondContact O-CB 3.36Å; A37-T41 PolarHBondContact O-N 2.75Å; A37-T41 PolarHBondContact O-OG1 3.46Å; G38-T41 PolarHBondContact O-N 2.92Å; S39-T41 VanDerWaalsContact C-N 3.32Å; S39-T41 PolarHBondContact O-N 3.47Å; T41-A43 PolarHBondContact O-N 2.97Å; T41-A44 PolarHBondContact O-N 2.89Å; T41-V45 VanDerWaalsContact O-CG2 3.31Å; T41-V45 WeakPolarHBondContact O-CG2 3.43Å; T41-V45 PolarHBondContact O-N 3.47Å
42V95.9Very high93.3Very high95 Ų9590.8 Ų90.858%0.57652%0.517SS*.Hα-helixtrans-63.7-41.2177.9172.30000111.3G38 S39 V45 S46G38-V42 WeakPolarHBondContact O-CG2 3.32Å; G38-V42 PolarHBondContact O-N 2.89Å; S39-V42 PolarHBondContact O-N 3.49Å; V42-V45 PolarHBondContact O-N 3.37Å; V42-S46 WeakPolarHBondContact O-CB 3.32Å; V42-S46 PolarHBondContact O-N 2.97Å; V42-S46 PolarHBondContact O-OG 3.16Å
43A95.5Very high92.9Very high48 Ų4894.1 Ų94.140%0.39752%0.524SS..Hα-helixtrans-62.8-46.1175.300000111.3S39 A40 T41 V45 S46 L47S39-A43 VanDerWaalsContact O-CB 3.32Å; S39-A43 WeakPolarHBondContact O-CB 3.42Å; S39-A43 PolarHBondContact O-N 3.46Å; A40-A43 PolarHBondContact O-N 3.28Å; T41-A43 PolarHBondContact O-N 2.97Å; A43-V45 PolarHBondContact O-N 2.9Å; A43-S46 PolarHBondContact O-N 3.12Å; A43-L47 WeakPolarHBondContact O-CB 3.31Å; A43-L47 VanDerWaalsContact O-CG 3.26Å; A43-L47 WeakPolarHBondContact O-CG 3.38Å; A43-L47 PolarHBondContact O-N 2.99Å
44A95.3Very high92.1Very high51 Ų5189.3 Ų89.342%0.42152%0.517SS..Hα-helixtrans-60.3-45.3177.100000112A40 T41 S46 L47 T48A40-A44 WeakPolarHBondContact O-CB 3.27Å; A40-A44 PolarHBondContact O-N 2.69Å; T41-A44 PolarHBondContact O-N 2.89Å; A44-S46 VanDerWaalsContact C-N 3.34Å; A44-S46 PolarHBondContact O-N 3.01Å; A44-L47 PolarHBondContact O-N 3.32Å; A44-T48 VanDerWaalsContact O-CG2 3.32Å; A44-T48 WeakPolarHBondContact O-CG2 3.49Å; A44-T48 PolarHBondContact O-N 2.98Å; A44-T48 PolarHBondContact O-OG1 3.29Å
45V95.8Very high91.2Very high88 Ų8887.2 Ų87.253%0.53351%0.509SS..Hα-helixtrans-65.2-36.9177.1172.40000111.9T41 V42 A43 T48 R49T41-V45 VanDerWaalsContact O-CG2 3.31Å; T41-V45 WeakPolarHBondContact O-CG2 3.43Å; T41-V45 PolarHBondContact O-N 3.47Å; V42-V45 PolarHBondContact O-N 3.37Å; A43-V45 PolarHBondContact O-N 2.9Å; V45-T48 WeakPolarHBondContact CA-OG1 3.32Å; V45-T48 PolarHBondContact O-OG1 3.48Å; V45-R49 WeakPolarHBondContact O-CB 3.26Å; V45-R49 PolarHBondContact O-N 3.25Å; V45-R49 VanDerWaalsContact O-N 3.12Å
46S93.9Very high89.9Confident49 Ų4988.9 Ų88.934%0.34351%0.51SS..Hα-helixtrans-69.6-44.7178.7-570000111.1V42 A43 A44 R49 D50V42-S46 WeakPolarHBondContact O-CB 3.32Å; V42-S46 PolarHBondContact O-N 2.97Å; V42-S46 PolarHBondContact O-OG 3.16Å; A43-S46 PolarHBondContact O-N 3.12Å; A44-S46 VanDerWaalsContact C-N 3.34Å; A44-S46 PolarHBondContact O-N 3.01Å; S46-R49 PolarHBondContact O-N 3.47Å; S46-D50 VanDerWaalsContact O-CG 3.32Å; S46-D50 PolarHBondContact O-N 2.94Å
47L93.4Very high88.4Confident107 Ų10790 Ų9056%0.5652%0.517SS*.Hα-helixtrans-62.5-43.7177-70.5171.1000111.8A43 A44 R49 D50 F51A43-L47 WeakPolarHBondContact O-CB 3.31Å; A43-L47 VanDerWaalsContact O-CG 3.26Å; A43-L47 WeakPolarHBondContact O-CG 3.38Å; A43-L47 PolarHBondContact O-N 2.99Å; A44-L47 PolarHBondContact O-N 3.32Å; L47-R49 VanDerWaalsContact C-N 3.32Å; L47-R49 PolarHBondContact O-N 3.41Å; L47-D50 PolarHBondContact O-N 3.46Å; L47-F51 WeakPolarHBondContact O-CD2 3.34Å; L47-F51 PolarHBondContact O-N 2.91Å
48T91.9Very high86.8Confident78 Ų7892 Ų9248%0.47953%0.528SS..Hα-helixtrans-65-37.5177.654.80000112.1A44 V45 F51 M52A44-T48 VanDerWaalsContact O-CG2 3.32Å; A44-T48 WeakPolarHBondContact O-CG2 3.49Å; A44-T48 PolarHBondContact O-N 2.98Å; A44-T48 PolarHBondContact O-OG1 3.29Å; V45-T48 WeakPolarHBondContact CA-OG1 3.32Å; V45-T48 PolarHBondContact O-OG1 3.48Å; T48-F51 PolarHBondContact O-N 3.34Å; T48-M52 WeakPolarHBondContact O-CG 3.37Å; T48-M52 PolarHBondContact O-N 2.95Å
49R91.9Very high85.2Confident171 Ų17197.3 Ų97.365%0.64554%0.543SS*.Hα-helixtrans-66-41.4176.1-165.5-179.470.6145.41.5112.2V45 S46 L47 M52 K53V45-R49 WeakPolarHBondContact O-CB 3.26Å; V45-R49 PolarHBondContact O-N 3.25Å; V45-R49 VanDerWaalsContact O-N 3.12Å; S46-R49 PolarHBondContact O-N 3.47Å; L47-R49 VanDerWaalsContact C-N 3.32Å; L47-R49 PolarHBondContact O-N 3.41Å; R49-M52 PolarHBondContact O-N 3.45Å; R49-K53 WeakPolarHBondContact O-CB 3.5Å; R49-K53 PolarHBondContact O-N 2.95Å
50D88Confident83Confident90 Ų9095.2 Ų95.248%0.48153%0.533SS..Hα-helixtrans-67.4-38.4178-68.2-18.6000111.4S46 L47 K53 A54S46-D50 VanDerWaalsContact O-CG 3.32Å; S46-D50 PolarHBondContact O-N 2.94Å; L47-D50 PolarHBondContact O-N 3.46Å; D50-K53 PolarHBondContact O-N 3.45Å; D50-A54 WeakPolarHBondContact O-CB 3.37Å; D50-A54 PolarHBondContact O-N 2.98Å
51F85.1Confident80.7Confident151 Ų151101.5 Ų101.566%0.66255%0.55SS*.Hα-helixtrans-61.9-48.4171.3-95.9-81.2000112.3L47 T48 K53 A54 T55L47-F51 WeakPolarHBondContact O-CD2 3.34Å; L47-F51 PolarHBondContact O-N 2.91Å; T48-F51 PolarHBondContact O-N 3.34Å; F51-K53 VanDerWaalsContact C-N 3.32Å; F51-K53 PolarHBondContact O-N 3.28Å; F51-A54 PolarHBondContact O-N 3.43Å; F51-T55 PolarHBondContact O-N 3.4Å; F51-T55 PolarHBondContact O-OG1 2.89Å; F51-T55 VanDerWaalsContact O-OG1 3.07Å
52M84.1Confident78.7Confident133 Ų133107.4 Ų107.466%0.65556%0.564SS**Hα-helixtrans-60.6-41.5177.4-72.9-172.9-17400112T48 R49 T55 E56T48-M52 WeakPolarHBondContact O-CG 3.37Å; T48-M52 PolarHBondContact O-N 2.95Å; R49-M52 PolarHBondContact O-N 3.45Å; M52-T55 WeakPolarHBondContact O-CB 3.37Å; M52-T55 PolarHBondContact O-N 3.4Å; M52-E56 PolarHBondContact O-N 2.88Å
53K84.2Confident76.6Confident129 Ų129106.1 Ų106.156%0.56157%0.57SS**Hα-helixtrans-67.7-35.7178.1-162.9173.8-173.3179.50112.3R49 D50 F51 L57R49-K53 WeakPolarHBondContact O-CB 3.5Å; R49-K53 PolarHBondContact O-N 2.95Å; D50-K53 PolarHBondContact O-N 3.45Å; F51-K53 VanDerWaalsContact C-N 3.32Å; F51-K53 PolarHBondContact O-N 3.28Å; K53-L57 HydrophobicContact CG-CD1 4.31Å; K53-L57 WeakPolarHBondContact O-CB 3.42Å; K53-L57 PolarHBondContact O-N 3.07Å
54A77.5Confident74.6Confident55 Ų55110.6 Ų110.646%0.45559%0.586SS.*Hα-helixtrans-67-39.917300000111.6D50 F51 L57 S58D50-A54 WeakPolarHBondContact O-CB 3.37Å; D50-A54 PolarHBondContact O-N 2.98Å; F51-A54 PolarHBondContact O-N 3.43Å; A54-L57 PolarHBondContact O-N 3.07Å; A54-S58 WeakPolarHBondContact O-CB 3.34Å; A54-S58 PolarHBondContact O-N 2.92Å; A54-S58 PolarHBondContact O-OG 3.39Å
55T76.3Confident72.8Confident72 Ų72111.6 Ų111.644%0.44259%0.588SS.*Hα-helixtrans-61.4-49.6172.5-56.20000110.8F51 M52 L57 S58 E59F51-T55 PolarHBondContact O-N 3.4Å; F51-T55 PolarHBondContact O-OG1 2.89Å; F51-T55 VanDerWaalsContact O-OG1 3.07Å; M52-T55 WeakPolarHBondContact O-CB 3.37Å; M52-T55 PolarHBondContact O-N 3.4Å; T55-L57 VanDerWaalsContact C-N 3.35Å; T55-L57 PolarHBondContact O-N 2.76Å; T55-S58 PolarHBondContact O-N 3.48Å; T55-S58 PolarHBondContact O-OG 2.88Å; T55-E59 WeakPolarHBondContact O-CB 3.48Å; T55-E59 WeakPolarHBondContact O-CG 3.34Å; T55-E59 PolarHBondContact O-N 2.68Å
56E68Low71.7Confident139 Ų139112.7 Ų112.765%0.6560%0.6SS**Hα-helixtrans-61.8-37176.7-77.5-174.1133.600113.4M52 E59 G60M52-E56 PolarHBondContact O-N 2.88Å; E56-E59 CarbonylContact O-C 3.3Å; E56-E59 VanDerWaalsContact O-C 3.3Å; E56-E59 PolarHBondContact O-N 3.23Å; E56-G60 WeakPolarHBondContact O-CA 3.37Å; E56-G60 PolarHBondContact O-N 2.91Å
57L63.8Low71.5Confident128 Ų128112.5 Ų112.567%0.6760%0.595SS**Hα-helixtrans-71.5-34.6175.2-90.4157.4000112.3K53 A54 T55 E59 G60K53-L57 HydrophobicContact CG-CD1 4.31Å; K53-L57 WeakPolarHBondContact O-CB 3.42Å; K53-L57 PolarHBondContact O-N 3.07Å; A54-L57 PolarHBondContact O-N 3.07Å; T55-L57 VanDerWaalsContact C-N 3.35Å; T55-L57 PolarHBondContact O-N 2.76Å; L57-E59 VanDerWaalsContact C-N 3.34Å; L57-G60 VanDerWaalsContact O-CA 3.29Å; L57-G60 WeakPolarHBondContact O-CA 3.49Å; L57-G60 PolarHBondContact O-N 3Å
58S61.3Low71.3Confident98 Ų98107.8 Ų107.869%0.68557%0.572SS**Hα-helixtrans-70.5-33172.976.10000112A54 T55 G60A54-S58 WeakPolarHBondContact O-CB 3.34Å; A54-S58 PolarHBondContact O-N 2.92Å; A54-S58 PolarHBondContact O-OG 3.39Å; T55-S58 PolarHBondContact O-N 3.48Å; T55-S58 PolarHBondContact O-OG 2.88Å; S58-G60 PolarHBondContact O-N 3.41Å
59E60.5Low71.1Confident144 Ų144105.3 Ų105.367%0.67356%0.562SS**THydrogen-bonded Turntrans-80.83.6166.7-66.4-173.1168.300112.1T55 E56 L57 K61T55-E59 WeakPolarHBondContact O-CB 3.48Å; T55-E59 WeakPolarHBondContact O-CG 3.34Å; T55-E59 PolarHBondContact O-N 2.68Å; E56-E59 CarbonylContact O-C 3.3Å; E56-E59 VanDerWaalsContact O-C 3.3Å; E56-E59 PolarHBondContact O-N 3.23Å; L57-E59 VanDerWaalsContact C-N 3.34Å; E59-K61 VanDerWaalsContact C-N 3.35Å; E59-K61 PolarHBondContact O-N 2.75Å
60G48.9Very low71.1Confident29 Ų29101.2 Ų101.230%0.29955%0.553SS.*  trans-56.496.1-175.900000110.1E56 L57 S58 Y62E56-G60 WeakPolarHBondContact O-CA 3.37Å; E56-G60 PolarHBondContact O-N 2.91Å; L57-G60 VanDerWaalsContact O-CA 3.29Å; L57-G60 WeakPolarHBondContact O-CA 3.49Å; L57-G60 PolarHBondContact O-N 3Å; S58-G60 PolarHBondContact O-N 3.41Å; G60-Y62 WeakPolarHBondContact O-CD2 3.29Å; G60-Y62 PolarHBondContact O-N 2.85Å
61K47.7Very low71.4Confident188 Ų18897 Ų9782%0.81753%0.53SS*.  trans-11.568.3157.4-60.3173-178.9174.30114.6E59 G63E59-K61 VanDerWaalsContact C-N 3.35Å; E59-K61 PolarHBondContact O-N 2.75Å; K61-G63 PolarHBondContact O-N 3.17Å
62Y53.6Low71.9Confident212 Ų21293.3 Ų93.383%0.83152%0.517SS*.  trans-51.2115137.6-69.8-85.3000103.2G60 L64G60-Y62 WeakPolarHBondContact O-CD2 3.29Å; G60-Y62 PolarHBondContact O-N 2.85Å; Y62-L64 VanDerWaalsContact C-N 3.28Å; Y62-L64 WeakPolarHBondContact O-CA 3.32Å; Y62-L64 WeakPolarHBondContact O-CD1 3.29Å; Y62-L64 PolarHBondContact O-N 2.63Å
63G51.9Low72.6Confident68 Ų6887.1 Ų87.170%0.70149%0.487SS*.  trans-47.899.9-173.600000108K61 P65K61-G63 PolarHBondContact O-N 3.17Å; G63-P65 WeakPolarHBondContact O-CD 3.49Å
64L52.8Low73.2Confident143 Ų14383.7 Ų83.775%0.74947%0.474SS*.  trans-60.4117.7-170.4-87.991.2000102.5Y62 S66Y62-L64 VanDerWaalsContact C-N 3.28Å; Y62-L64 WeakPolarHBondContact O-CA 3.32Å; Y62-L64 WeakPolarHBondContact O-CD1 3.29Å; Y62-L64 PolarHBondContact O-N 2.63Å; L64-S66 PolarHBondContact O-N 2.7Å
65P57.5Low74.1Confident71 Ų7182.2 Ų82.246%0.46146%0.458SS..  trans-55.4120.3-179.3-19.728.7000106.6G63 I67G63-P65 WeakPolarHBondContact O-CD 3.49Å; P65-I67 VanDerWaalsContact C-N 3.35Å; P65-I67 PolarHBondContact O-N 3.4Å
66S74.5Confident75Confident112 Ų11280.4 Ų80.478%0.78345%0.445SS*.  trans-6398.8-171.7-175.20000108.1L64L64-S66 PolarHBondContact O-N 2.7Å
67I87.9Confident76.3Confident44 Ų4478.9 Ų78.923%0.22644%0.441CS..  trans-75.8136.1171-67173.4000107P65 Y197 F205P65-I67 VanDerWaalsContact C-N 3.35Å; P65-I67 PolarHBondContact O-N 3.4Å; I67-Y197 HydrophobicContact CG2-CD1 3.92Å; I67-Y197 HydrophobicContact CG2-CE1 3.72Å; I67-F205 HydrophobicContact CB-CB 4.48Å; I67-F205 HydrophobicContact CB-CD1 4.2Å; I67-F205 HydrophobicContact CB-CD2 4.24Å; I67-F205 HydrophobicContact CB-CG 4.01Å; I67-F205 HydrophobicContact CG2-CB 4.34Å; I67-F205 HydrophobicContact CG2-CD1 4.38Å; I67-F205 HydrophobicContact CG2-CD2 3.53Å; I67-F205 HydrophobicContact CG2-CE2 3.96Å; I67-F205 HydrophobicContact CG2-CG 3.79Å; I67-F205 WeakPolarHBondContact O-CB 3.4Å
68G89.8Confident77.8Confident8 Ų874.9 Ų74.98%0.08243%0.431CS..  trans99.8-179.9179.200000112.8L172G68-L172 PolarHBondContact N-O 2.91Å
69G88.7Confident79.5Confident26 Ų2674.3 Ų74.327%0.26842%0.42SS..  trans144.9162.1-17100000110.4L83 Y173G69-L83 WeakPolarHBondContact O-CD2 3.1Å; G69-Y173 PolarHBondContact O-OH 2.59Å; G69-Y173 VanDerWaalsContact O-OH 3.11Å
70D91.7Very high81.2Confident85 Ų8572.2 Ų72.246%0.45542%0.419SS..  trans-68.4143.8-179.4-165.818.8000111.3L83 L172D70-L83 VanDerWaalsContact OD1-CB 3.25Å; D70-L83 WeakPolarHBondContact OD1-CB 3.24Å; D70-L83 PolarHBondContact OD1-N 3.32Å; D70-L172 WeakPolarHBondContact O-CD1 3.18Å
71F94Very high83.5Confident3 Ų371.4 Ų71.41%0.01341%0.409CS..  trans-126.9146.9173.756.4-107.5000109.7L73 K82 L83 F86 L93 L159 V169 Y173F71-L73 HydrophobicContact CB-CD1 4.48Å; F71-L73 HydrophobicContact CB-CG 4.38Å; F71-L73 HydrophobicContact CD2-CD1 4.09Å; F71-L73 HydrophobicContact CD2-CG 4.22Å; F71-L73 HydrophobicContact CG-CD1 4.43Å; F71-K82 WeakPolarHBondContact O-CA 3.44Å; F71-L83 HydrophobicContact CD1-CB 3.99Å; F71-L83 HydrophobicContact CD1-CD2 4.45Å; F71-L83 HydrophobicContact CD2-CB 4.35Å; F71-L83 HydrophobicContact CE1-CB 3.84Å; F71-L83 HydrophobicContact CE1-CD1 3.68Å; F71-L83 HydrophobicContact CE1-CD2 4.31Å; F71-L83 HydrophobicContact CE1-CG 4.13Å; F71-L83 HydrophobicContact CE2-CB 4.19Å; F71-L83 HydrophobicContact CG-CB 4.25Å; F71-L83 HydrophobicContact CZ-CB 3.93Å; F71-L83 HydrophobicContact CZ-CD1 3.83Å; F71-L83 HydrophobicContact CZ-CG 4.42Å; F71-L83 PolarHBondContact O-N 2.55Å; F71-L83 VanDerWaalsContact O-N 3.14Å; F71-F86 HydrophobicContact CE2-CE2 4.2Å; F71-F86 HydrophobicContact CZ-CD2 4.45Å; F71-F86 HydrophobicContact CZ-CE2 4.22Å; F71-L93 HydrophobicContact CE1-CD2 4.42Å; F71-L159 HydrophobicContact CD2-CD1 4.31Å; F71-L159 HydrophobicContact CE2-CD1 3.57Å; F71-L159 HydrophobicContact CZ-CD1 4.08Å; F71-V169 HydrophobicContact CB-CB 4.46Å; F71-V169 HydrophobicContact CB-CG1 4.18Å; F71-V169 HydrophobicContact CB-CG2 3.39Å; F71-V169 HydrophobicContact CG-CG2 4.5Å; F71-Y173 HydrophobicContact CD1-CE2 4.16Å
72N95.7Very high85.8Confident73 Ų7366.7 Ų66.739%0.3939%0.388SS..EExtended strand (participates in β ladder)trans-128105.6173-176.840.8000106.1K82N72-K82 HydrophobicContact CB-CG 4.23Å; N72-K82 VanDerWaalsContact OD1-CE 3.31Å; N72-K82 WeakPolarHBondContact OD1-CE 3.43Å; N72-K82 VanDerWaalsContact OD1-CG 3.23Å; N72-K82 WeakPolarHBondContact OD1-CG 3.28Å
73L97.3Very high87.7Confident3 Ų356.8 Ų56.82%0.01635%0.349CS..EExtended strand (participates in β ladder)trans-127.6-170.5-173.7-68.2-179.7000108.8F71 P80 C81 V133 L159 T160 E165 I166 V169F71-L73 HydrophobicContact CB-CD1 4.48Å; F71-L73 HydrophobicContact CB-CG 4.38Å; F71-L73 HydrophobicContact CD2-CD1 4.09Å; F71-L73 HydrophobicContact CD2-CG 4.22Å; F71-L73 HydrophobicContact CG-CD1 4.43Å; L73-P80 WeakPolarHBondContact O-CA 3.18Å; L73-C81 PolarHBondContact N-O 3.22Å; L73-C81 PolarHBondContact O-N 2.85Å; L73-V133 HydrophobicContact CD1-CG1 3.9Å; L73-V133 HydrophobicContact CD1-CG2 4.46Å; L73-L159 HydrophobicContact CB-CB 4.35Å; L73-L159 HydrophobicContact CD1-CB 3.98Å; L73-L159 HydrophobicContact CD1-CD1 4.16Å; L73-T160 WeakPolarHBondContact CB-O 3.39Å; L73-E165 HydrophobicContact CD2-CB 3.87Å; L73-I166 HydrophobicContact CD2-CD1 3.82Å; L73-V169 HydrophobicContact CD1-CG2 4.41Å; L73-V169 HydrophobicContact CD2-CG2 4.28Å; L73-V169 HydrophobicContact CG-CG2 4.44Å
74I97.4Very high89.7Confident56 Ų5655.9 Ų55.929%0.28733%0.332SS..EExtended strand (participates in β ladder)trans-121.5131.8177.1-62.4163000107N79 P142 L159 T160I74-N79 CarbonylContact C-O 3.51Å; I74-N79 WeakPolarHBondContact CA-O 3.43Å; I74-P142 HydrophobicContact CG2-CG 4.08Å; I74-L159 CarbonylContact O-C 3.59Å; I74-L159 WeakPolarHBondContact O-CA 3.44Å; I74-T160 PolarHBondContact N-O 2.81Å; I74-T160 PolarHBondContact O-N 2.97Å; I74-T160 VanDerWaalsContact O-O 3.07Å
75D96.8Very high91.7Very high24 Ų2453.1 Ų53.113%0.12832%0.318CS..EExtended strand (participates in β ladder)trans-74166.3173.275.98.8000111.6N77 G78 N79 C81 G158 L159D75-N77 PolarHBondContact O-N 2.98Å; D75-N77 VanDerWaalsContact OD1-C 3.25Å; D75-N77 VanDerWaalsContact OD1-CA 3.25Å; D75-N77 WeakPolarHBondContact OD1-CA 3.39Å; D75-N77 WeakPolarHBondContact OD1-CB 3.36Å; D75-N77 PolarHBondContact OD1-N 3.5Å; D75-G78 PolarHBondContact O-N 2.92Å; D75-G78 PolarHBondContact OD1-N 3.38Å; D75-N79 PolarHBondContact N-O 3.32Å; D75-N79 PolarHBondContact OD1-N 3.42Å; D75-N79 PolarHBondContact OD2-ND2 3.49Å; D75-C81 HydrophobicContact CB-CB 4.16Å; D75-G158 CarbonylContact C-O 3.59Å; D75-G158 WeakPolarHBondContact CA-O 3.41Å; D75-L159 HydrophobicContact CB-CD2 4.03Å
76H95.6Very high93.5Very high35 Ų3550.3 Ų50.316%0.16230%0.299CS..THydrogen-bonded Turntrans-62.7-9175.462.8-85.2000114.2L145 A146 V149 G158H76-L145 HydrophobicContact CB-CB 4.26Å; H76-L145 HydrophobicContact CB-CD2 4.14Å; H76-L145 HydrophobicContact CB-CG 3.98Å; H76-A146 HydrophobicContact CB-CB 4.05Å; H76-A146 WeakPolarHBondContact O-CB 3.31Å; H76-V149 HydrophobicContact CB-CG2 4.36Å; H76-G158 PolarHBondContact N-O 3.14Å; H76-G158 PolarHBondContact ND1-N 2.97Å; H76-G158 VanDerWaalsContact ND1-N 3.18Å; H76-G158 PolarHBondContact ND1-O 3.46Å
77N95.2Very high94.4Very high106 Ų10650.4 Ų50.457%0.56728%0.282SS*.THydrogen-bonded Turntrans-94.22.7172.7-56.6-61.6000112.5D75D75-N77 PolarHBondContact O-N 2.98Å; D75-N77 VanDerWaalsContact OD1-C 3.25Å; D75-N77 VanDerWaalsContact OD1-CA 3.25Å; D75-N77 WeakPolarHBondContact OD1-CA 3.39Å; D75-N77 WeakPolarHBondContact OD1-CB 3.36Å; D75-N77 PolarHBondContact OD1-N 3.5Å
78G94.7Very high94.7Very high44 Ų4449.8 Ų49.845%0.45429%0.287SS..SBendtrans82.99-179.500000114.7D75D75-G78 PolarHBondContact O-N 2.92Å; D75-G78 PolarHBondContact OD1-N 3.38Å
79N96.8Very high95Very high87 Ų8753.2 Ų53.247%0.46530%0.299SS..  trans-91.8144.1179.2-55.1-62000111.3I74 D75 C81I74-N79 CarbonylContact C-O 3.51Å; I74-N79 WeakPolarHBondContact CA-O 3.43Å; D75-N79 PolarHBondContact N-O 3.32Å; D75-N79 PolarHBondContact OD1-N 3.42Å; D75-N79 PolarHBondContact OD2-ND2 3.49Å; N79-C81 PolarHBondContact O-N 3.24Å
80P96.9Very high95.4Very high99 Ų9952.2 Ų52.264%0.64329%0.288SS*.EExtended strand (participates in β ladder)trans-57.9130.8168.7-22.233.2000111L73L73-P80 WeakPolarHBondContact O-CA 3.18Å
81C96.7Very high95.6Very high12 Ų1248.2 Ų48.28%0.08127%0.266CS..EExtended strand (participates in β ladder)trans-132.9126.5-179.9-1750000110.7L73 D75 N79 F86 L159L73-C81 PolarHBondContact N-O 3.22Å; L73-C81 PolarHBondContact O-N 2.85Å; D75-C81 HydrophobicContact CB-CB 4.16Å; N79-C81 PolarHBondContact O-N 3.24Å; C81-F86 VanDerWaalsContact SG-CE2 3.59Å; C81-L159 HydrophobicContact CB-CD2 3.74Å
82K95.9Very high95.8Very high90 Ų9048.1 Ų48.139%0.39127%0.266SS..EExtended strand (participates in β ladder)trans-115.6158.5-177.7-63.2173.9-172.2175.40111.3F71 N72 S84 D85 F86F71-K82 WeakPolarHBondContact O-CA 3.44Å; N72-K82 HydrophobicContact CB-CG 4.23Å; N72-K82 VanDerWaalsContact OD1-CE 3.31Å; N72-K82 WeakPolarHBondContact OD1-CE 3.43Å; N72-K82 VanDerWaalsContact OD1-CG 3.23Å; N72-K82 WeakPolarHBondContact OD1-CG 3.28Å; K82-S84 WeakPolarHBondContact CB-OG 3.14Å; K82-S84 PolarHBondContact O-N 3.47Å; K82-S84 VanDerWaalsContact O-N 3.17Å; K82-D85 PolarHBondContact N-OD2 3.14Å; K82-D85 WeakPolarHBondContact O-CB 3.34Å; K82-D85 PolarHBondContact O-N 2.99Å; K82-F86 WeakPolarHBondContact O-CD2 3.47Å
83L93.6Very high95.9Very high3 Ų344.6 Ų44.62%0.01625%0.247CC..G310 helixtrans-61.2-27.1172.8-177.457.4000111.8G69 D70 F71 D85 F86 R87 L199G69-L83 WeakPolarHBondContact O-CD2 3.1Å; D70-L83 VanDerWaalsContact OD1-CB 3.25Å; D70-L83 WeakPolarHBondContact OD1-CB 3.24Å; D70-L83 PolarHBondContact OD1-N 3.32Å; F71-L83 HydrophobicContact CD1-CB 3.99Å; F71-L83 HydrophobicContact CD1-CD2 4.45Å; F71-L83 HydrophobicContact CD2-CB 4.35Å; F71-L83 HydrophobicContact CE1-CB 3.84Å; F71-L83 HydrophobicContact CE1-CD1 3.68Å; F71-L83 HydrophobicContact CE1-CD2 4.31Å; F71-L83 HydrophobicContact CE1-CG 4.13Å; F71-L83 HydrophobicContact CE2-CB 4.19Å; F71-L83 HydrophobicContact CG-CB 4.25Å; F71-L83 HydrophobicContact CZ-CB 3.93Å; F71-L83 HydrophobicContact CZ-CD1 3.83Å; F71-L83 HydrophobicContact CZ-CG 4.42Å; F71-L83 PolarHBondContact O-N 2.55Å; F71-L83 VanDerWaalsContact O-N 3.14Å; L83-D85 PolarHBondContact O-N 3.46Å; L83-F86 PolarHBondContact O-N 2.95Å; L83-R87 PolarHBondContact O-NH1 2.98Å; L83-L199 HydrophobicContact CD1-CD1 3.58Å; L83-L199 HydrophobicContact CD2-CD1 4.3Å
84S93.9Very high95.9Very high49 Ų4944.5 Ų44.534%0.34325%0.246SC..G310 helixtrans-59.7-26.3173.356.60000114K82 F86 R87K82-S84 WeakPolarHBondContact CB-OG 3.14Å; K82-S84 PolarHBondContact O-N 3.47Å; K82-S84 VanDerWaalsContact O-N 3.17Å; S84-F86 PolarHBondContact O-N 2.79Å; S84-R87 WeakPolarHBondContact O-CB 3.37Å; S84-R87 WeakPolarHBondContact O-CG 3.13Å; S84-R87 PolarHBondContact O-N 3.44Å
85D95Very high95.9Very high85 Ų8541.9 Ų41.946%0.45523%0.233SC..G310 helixtrans-76.5-13.6-176.7-52.1-24.3000111.5K82 L83K82-D85 PolarHBondContact N-OD2 3.14Å; K82-D85 WeakPolarHBondContact O-CB 3.34Å; K82-D85 PolarHBondContact O-N 2.99Å; L83-D85 PolarHBondContact O-N 3.46Å
86F95.3Very high95.9Very high13 Ų1340.7 Ų40.76%0.05723%0.227CC..G310 helixtrans-967.2173.5-58.2-85.9000113.4F71 C81 K82 L83 S84 G88 K89 V91 V129 V131 T157F71-F86 HydrophobicContact CE2-CE2 4.2Å; F71-F86 HydrophobicContact CZ-CD2 4.45Å; F71-F86 HydrophobicContact CZ-CE2 4.22Å; C81-F86 VanDerWaalsContact SG-CE2 3.59Å; K82-F86 WeakPolarHBondContact O-CD2 3.47Å; L83-F86 PolarHBondContact O-N 2.95Å; S84-F86 PolarHBondContact O-N 2.79Å; F86-G88 PolarHBondContact O-N 3.35Å; F86-K89 WeakPolarHBondContact O-CB 3.41Å; F86-K89 PolarHBondContact O-N 3.06Å; F86-V91 HydrophobicContact CB-CG2 3.47Å; F86-V91 VanDerWaalsContact CB-CG2 3.47Å; F86-V91 HydrophobicContact CD1-CG2 3.88Å; F86-V91 HydrophobicContact CG-CG2 3.75Å; F86-V129 HydrophobicContact CD1-CB 4.41Å; F86-V129 HydrophobicContact CD1-CG1 4.24Å; F86-V129 HydrophobicContact CE1-CG1 3.95Å; F86-V131 HydrophobicContact CD1-CG2 4.38Å; F86-V131 HydrophobicContact CE1-CG2 3.65Å; F86-V131 HydrophobicContact CZ-CG2 3.85Å; F86-T157 HydrophobicContact CZ-CG2 4.2Å
87R94.1Very high95.9Very high114 Ų11439.1 Ų39.143%0.4322%0.219SC..THydrogen-bonded Turntrans-58.2140.2175.6-69.1-70.4-175.8-79.80.6110.8L83 S84 K89 P201 K202L83-R87 PolarHBondContact O-NH1 2.98Å; S84-R87 WeakPolarHBondContact O-CB 3.37Å; S84-R87 WeakPolarHBondContact O-CG 3.13Å; S84-R87 PolarHBondContact O-N 3.44Å; R87-K89 VanDerWaalsContact C-N 3.25Å; R87-P201 WeakPolarHBondContact CA-O 3.41Å; R87-K202 PolarHBondContact NE-O 2.86Å; R87-K202 VanDerWaalsContact NE-O 3.14Å; R87-K202 PolarHBondContact NH1-O 3.46Å; R87-K202 PolarHBondContact NH2-O 3.11Å
88G94.4Very high95.8Very high31 Ų3134.8 Ų34.832%0.3220%0.197SC..THydrogen-bonded Turntrans74.914-172.800000113.6F86 Y126 P201F86-G88 PolarHBondContact O-N 3.35Å; G88-Y126 WeakPolarHBondContact O-CD1 3.41Å; G88-P201 PolarHBondContact N-O 2.79Å
89K95.3Very high95.7Very high80 Ų8038.9 Ų38.935%0.34820%0.199SC..SBendtrans-135.7143.1175.7-48-176.9-172.8159.30109.3F86 R87 P127 V129 P201F86-K89 WeakPolarHBondContact O-CB 3.41Å; F86-K89 PolarHBondContact O-N 3.06Å; R87-K89 VanDerWaalsContact C-N 3.25Å; K89-P127 CarbonylContact C-O 3.53Å; K89-P127 WeakPolarHBondContact CA-O 3.37Å; K89-P127 HydrophobicContact CB-CG 4.26Å; K89-P127 HydrophobicContact CD-CG 4.24Å; K89-P127 HydrophobicContact CG-CG 3.86Å; K89-V129 HydrophobicContact CB-CG2 4.09Å; K89-V129 HydrophobicContact CD-CG2 3.61Å; K89-V129 HydrophobicContact CG-CG2 4.43Å; K89-P201 WeakPolarHBondContact O-CA 3.37Å
90W96.4Very high95.4Very high5 Ų535.3 Ų35.32%0.01918%0.181CC..EExtended strand (participates in β ladder)trans-73.3144.1163.5-69.283.5000108.7P127 L128 V129 L198 L199 D200 P201 K225 M226 Y229W90-P127 PolarHBondContact N-O 2.92Å; W90-L128 HydrophobicContact CB-CB 4.36Å; W90-L128 HydrophobicContact CB-CD1 3.42Å; W90-L128 VanDerWaalsContact CB-CD1 3.42Å; W90-L128 CarbonylContact O-C 3.5Å; W90-L128 WeakPolarHBondContact O-CA 3.42Å; W90-V129 PolarHBondContact O-N 2.84Å; W90-L198 HydrophobicContact CE3-CD1 3.74Å; W90-L198 HydrophobicContact CE3-CD2 3.9Å; W90-L198 HydrophobicContact CE3-CG 3.73Å; W90-L198 HydrophobicContact CZ3-CD1 4.4Å; W90-L198 HydrophobicContact CZ3-CD2 3.7Å; W90-L198 HydrophobicContact CZ3-CG 3.92Å; W90-L199 WeakPolarHBondContact CA-O 2.97Å; W90-L199 VanDerWaalsContact CE3-O 3.27Å; W90-D200 HydrophobicContact CE3-CB 4.31Å; W90-D200 HydrophobicContact CH2-CB 4.02Å; W90-D200 HydrophobicContact CZ3-CB 3.87Å; W90-P201 HydrophobicContact CD2-CG 4.43Å; W90-P201 HydrophobicContact CG-CG 4.35Å; W90-K225 HydrophobicContact CH2-CB 4.03Å; W90-K225 HydrophobicContact CZ3-CB 4.27Å; W90-M226 HydrophobicContact CB-CE 4.28Å; W90-M226 HydrophobicContact CD2-CE 4.43Å; W90-M226 HydrophobicContact CD2-CG 4.19Å; W90-M226 HydrophobicContact CG-CE 3.76Å; W90-M226 HydrophobicContact CG-CG 4.46Å; W90-M226 HydrophobicContact CZ2-CB 4.46Å; W90-M226 HydrophobicContact CZ2-CG 4.03Å; W90-Y229 HydrophobicContact CH2-CD2 4.16Å; W90-Y229 HydrophobicContact CH2-CG 4.31Å; W90-Y229 HydrophobicContact CZ2-CD1 4.41Å; W90-Y229 AromaticContact CZ2-CD2 3.98Å; W90-Y229 HydrophobicContact CZ2-CD2 3.98Å; W90-Y229 AromaticContact CZ2-CG 3.74Å; W90-Y229 HydrophobicContact CZ2-CG 3.74Å
91V97.6Very high95Very high1 Ų134.5 Ų34.51%0.00618%0.175CC..EExtended strand (participates in β ladder)trans-121127.2177.3-177.60000109F86 L93 V129 V131 L198 L199F86-V91 HydrophobicContact CB-CG2 3.47Å; F86-V91 VanDerWaalsContact CB-CG2 3.47Å; F86-V91 HydrophobicContact CD1-CG2 3.88Å; F86-V91 HydrophobicContact CG-CG2 3.75Å; V91-L93 HydrophobicContact CG1-CB 4.36Å; V91-V129 WeakPolarHBondContact CA-O 3.27Å; V91-V131 HydrophobicContact CG1-CB 3.98Å; V91-V131 HydrophobicContact CG1-CG2 3.5Å; V91-L198 CarbonylContact O-C 3.55Å; V91-L198 WeakPolarHBondContact O-CA 3.26Å; V91-L199 HydrophobicContact CB-CB 4.06Å; V91-L199 HydrophobicContact CB-CD1 4.32Å; V91-L199 HydrophobicContact CB-CG 4.41Å; V91-L199 PolarHBondContact N-O 3.03Å; V91-L199 PolarHBondContact O-N 3.39Å
92L97.5Very high94.5Very high0 Ų039.8 Ų39.80%020%0.203CC..EExtended strand (participates in β ladder)trans-102.5109166.7-164.765000107.7L111 V114 L128 V129 V131 M196 Y197 L198 Y209 I222L92-L111 HydrophobicContact CB-CD1 4.15Å; L92-L111 HydrophobicContact CD2-CB 4.48Å; L92-L111 HydrophobicContact CD2-CD1 3.82Å; L92-L111 HydrophobicContact CD2-CG 3.95Å; L92-L111 HydrophobicContact CG-CD1 3.62Å; L92-L111 HydrophobicContact CG-CG 4.23Å; L92-V114 HydrophobicContact CD2-CB 4.13Å; L92-V114 HydrophobicContact CD2-CG1 3.83Å; L92-L128 HydrophobicContact CB-CD1 4.15Å; L92-V129 PolarHBondContact N-O 2.8Å; L92-V131 PolarHBondContact O-N 3.17Å; L92-M196 HydrophobicContact CD1-CB 4.08Å; L92-M196 HydrophobicContact CD2-SD 4.18Å; L92-M196 HydrophobicContact CG-CB 4.39Å; L92-Y197 CarbonylContact C-O 3.56Å; L92-Y197 WeakPolarHBondContact CA-O 3.33Å; L92-L198 HydrophobicContact CD1-CD1 4.4Å; L92-Y209 HydrophobicContact CD1-CD2 4.1Å; L92-Y209 HydrophobicContact CD1-CE2 4.17Å; L92-I222 HydrophobicContact CD1-CD1 4.35Å
93L97.4Very high94.3Very high0 Ų038.7 Ų38.70%020%0.2CC..EExtended strand (participates in β ladder)trans-106.6128.6-170.1-172.468.4000110.5F71 V91 F95 V131 V133 Y173 M196 Y197F71-L93 HydrophobicContact CE1-CD2 4.42Å; V91-L93 HydrophobicContact CG1-CB 4.36Å; L93-F95 HydrophobicContact CD2-CE2 3.53Å; L93-F95 HydrophobicContact CD2-CZ 3.53Å; L93-F95 HydrophobicContact CG-CD2 4.45Å; L93-F95 HydrophobicContact CG-CE2 3.78Å; L93-F95 HydrophobicContact CG-CZ 4.08Å; L93-V131 CarbonylContact C-O 3.49Å; L93-V131 WeakPolarHBondContact CA-O 3.46Å; L93-V131 HydrophobicContact CD1-CB 3.73Å; L93-V131 HydrophobicContact CD1-CG1 3.48Å; L93-V131 VanDerWaalsContact CD1-CG1 3.48Å; L93-V133 HydrophobicContact CD1-CG2 3.46Å; L93-V133 VanDerWaalsContact CD1-CG2 3.46Å; L93-V133 HydrophobicContact CG-CG2 4.32Å; L93-Y173 HydrophobicContact CD2-CD1 3.93Å; L93-Y173 HydrophobicContact CD2-CE1 3.57Å; L93-Y173 HydrophobicContact CD2-CE2 4.5Å; L93-M196 CarbonylContact O-C 3.59Å; L93-M196 VanDerWaalsContact O-CA 3.3Å; L93-M196 WeakPolarHBondContact O-CA 3.36Å; L93-Y197 PolarHBondContact N-O 3.37Å; L93-Y197 PolarHBondContact O-N 3.2Å
94Y97.7Very high94.3Very high0 Ų038.5 Ų38.50%020%0.2CC..EExtended strand (participates in β ladder)trans-129.5141.8173.4174-120.4000110.6C104 Q107 I108 V131 F132 V133 H192 I194Y94-C104 HydrophobicContact CE1-CB 4.21Å; Y94-C104 PolarHBondContact OH-SG 2.98Å; Y94-C104 VanDerWaalsContact OH-SG 3.42Å; Y94-Q107 HydrophobicContact CD1-CB 4.13Å; Y94-Q107 HydrophobicContact CD2-CB 4.42Å; Y94-Q107 HydrophobicContact CE1-CB 3.62Å; Y94-Q107 HydrophobicContact CE1-CG 4.44Å; Y94-Q107 HydrophobicContact CE2-CB 3.97Å; Y94-Q107 HydrophobicContact CE2-CG 4.09Å; Y94-I108 HydrophobicContact CD1-CG1 3.97Å; Y94-I108 HydrophobicContact CE1-CG1 4.11Å; Y94-V131 PolarHBondContact N-O 3.05Å; Y94-F132 AromaticContact CD1-CD2 3.84Å; Y94-F132 HydrophobicContact CD1-CD2 3.84Å; Y94-F132 HydrophobicContact CD1-CE2 4.19Å; Y94-F132 HydrophobicContact CE1-CD2 4.33Å; Y94-F132 HydrophobicContact CE1-CE2 4.23Å; Y94-F132 CarbonylContact O-C 3.48Å; Y94-F132 WeakPolarHBondContact O-CA 3.45Å; Y94-V133 PolarHBondContact O-N 2.79Å; Y94-H192 PolarHBondContact OH-NE2 3.35Å; Y94-H192 VanDerWaalsContact OH-NE2 3.11Å; Y94-I194 HydrophobicContact CE2-CG2 4.34Å
95F97Very high94.3Very high1 Ų137.6 Ų37.60%0.00419%0.193CC..EExtended strand (participates in β ladder)trans-110.2129.2-179.2-64.9-98.4000109.4L93 V133 V135 V169 Y173 I175 H192 Y197L93-F95 HydrophobicContact CD2-CE2 3.53Å; L93-F95 HydrophobicContact CD2-CZ 3.53Å; L93-F95 HydrophobicContact CG-CD2 4.45Å; L93-F95 HydrophobicContact CG-CE2 3.78Å; L93-F95 HydrophobicContact CG-CZ 4.08Å; F95-V133 WeakPolarHBondContact CA-O 3.42Å; F95-V133 HydrophobicContact CD1-CB 3.7Å; F95-V133 HydrophobicContact CD1-CG1 3.88Å; F95-V133 HydrophobicContact CD1-CG2 4.33Å; F95-V133 HydrophobicContact CE1-CB 3.92Å; F95-V133 HydrophobicContact CE1-CG1 3.94Å; F95-V133 HydrophobicContact CE1-CG2 4.12Å; F95-V133 HydrophobicContact CG-CB 4.37Å; F95-V135 HydrophobicContact CB-CG1 4.08Å; F95-V135 HydrophobicContact CD1-CG1 4.26Å; F95-V169 HydrophobicContact CE1-CG1 3.71Å; F95-V169 HydrophobicContact CZ-CG1 3.92Å; F95-Y173 HydrophobicContact CE2-CD1 4.22Å; F95-Y173 HydrophobicContact CE2-CG 4.09Å; F95-Y173 HydrophobicContact CZ-CD1 4.24Å; F95-Y173 HydrophobicContact CZ-CD2 4.06Å; F95-Y173 AromaticContact CZ-CG 3.78Å; F95-Y173 HydrophobicContact CZ-CG 3.78Å; F95-I175 HydrophobicContact CB-CD1 4.27Å; F95-I175 HydrophobicContact CB-CG1 4.29Å; F95-I175 HydrophobicContact CB-CG2 3.94Å; F95-I175 HydrophobicContact CD1-CG1 3.98Å; F95-I175 HydrophobicContact CD1-CG2 4.43Å; F95-I175 HydrophobicContact CD2-CD1 3.36Å; F95-I175 HydrophobicContact CD2-CG1 3.5Å; F95-I175 VanDerWaalsContact CD2-CG1 3.5Å; F95-I175 HydrophobicContact CE1-CG1 4.12Å; F95-I175 HydrophobicContact CE2-CD1 3.75Å; F95-I175 HydrophobicContact CE2-CG1 3.65Å; F95-I175 HydrophobicContact CG-CB 4.46Å; F95-I175 HydrophobicContact CG-CD1 3.87Å; F95-I175 HydrophobicContact CG-CG1 3.66Å; F95-I175 HydrophobicContact CG-CG2 4.14Å; F95-I175 HydrophobicContact CZ-CG1 3.95Å; F95-H192 PolarHBondContact O-CD2 3.44Å; F95-Y197 HydrophobicContact CD2-CD2 4.42Å; F95-Y197 HydrophobicContact CD2-CE2 4.43Å; F95-Y197 HydrophobicContact CE2-CD2 4.18Å; F95-Y197 HydrophobicContact CE2-CE2 4.38Å
96G96.4Very high94.3Very high0 Ų037.6 Ų37.60%019%0.19CC..EExtended strand (participates in β ladder)trans-166.5-153.6-179.700000111.5V133 S134 V135G96-V133 PolarHBondContact N-O 2.8Å; G96-S134 CarbonylContact O-C 3.49Å; G96-S134 WeakPolarHBondContact O-CA 3.36Å; G96-V135 WeakPolarHBondContact O-CG2 3.31Å; G96-V135 PolarHBondContact O-N 3.33Å
97F95.9Very high94.4Very high1 Ų137.1 Ų37.10%0.00419%0.188CC..  trans-154.3153.3178.963.5-74.3000110.5R99 C100 D136 D140 I189 V190 H192F97-R99 VanDerWaalsContact C-N 3.29Å; F97-R99 HydrophobicContact CD2-CB 4.09Å; F97-R99 HydrophobicContact CE2-CB 4.19Å; F97-R99 WeakPolarHBondContact CE2-O 3.44Å; F97-R99 PolarHBondContact O-N 2.81Å; F97-C100 HydrophobicContact CD1-CB 3.93Å; F97-C100 HydrophobicContact CD2-CB 4.17Å; F97-C100 HydrophobicContact CE1-CB 3.51Å; F97-C100 VanDerWaalsContact CE2-CA 3.42Å; F97-C100 HydrophobicContact CE2-CB 3.8Å; F97-C100 HydrophobicContact CG-CB 4.23Å; F97-C100 VanDerWaalsContact CZ-CA 3.41Å; F97-C100 HydrophobicContact CZ-CB 3.43Å; F97-C100 VanDerWaalsContact CZ-CB 3.43Å; F97-C100 WeakPolarHBondContact O-CB 3.06Å; F97-C100 PolarHBondContact O-N 2.61Å; F97-D136 HydrophobicContact CB-CB 3.86Å; F97-D140 WeakPolarHBondContact CA-OD2 3.26Å; F97-I189 HydrophobicContact CZ-CG2 4.17Å; F97-V190 HydrophobicContact CD1-CB 3.96Å; F97-V190 HydrophobicContact CD2-CG2 4.47Å; F97-V190 HydrophobicContact CE1-CB 3.97Å; F97-V190 WeakPolarHBondContact CE1-O 3.47Å; F97-V190 HydrophobicContact CG-CB 4.28Å; F97-V190 HydrophobicContact CG-CG2 4.48Å; F97-V190 HydrophobicContact CZ-CB 4.26Å; F97-H192 AromaticContact CD1-ND1 3.78Å; F97-H192 AromaticContact CE1-CE1 3.67Å; F97-H192 AromaticContact CE1-ND1 3.45Å; F97-H192 WeakPolarHBondContact CE1-ND1 3.36Å
98C94.2Very high94.5Very high15 Ų1531.7 Ų31.710%0.10117%0.167CC..THydrogen-bonded Turntrans-71.6-23.2-168.7-57.90000113.4C100 D140 V144 L145 Y148C98-C100 VanDerWaalsContact C-N 3.34Å; C98-D140 WeakPolarHBondContact CB-OD1 3.3Å; C98-D140 PolarHBondContact N-OD2 3.16Å; C98-D140 PolarHBondContact SG-OD2 2.74Å; C98-V144 HydrophobicContact CB-CG1 4.32Å; C98-L145 VanDerWaalsContact SG-CD1 3.58Å; C98-Y148 HydrophobicContact CB-CD1 4.05Å; C98-Y148 HydrophobicContact CB-CD2 4.1Å; C98-Y148 HydrophobicContact CB-CE1 4.46Å; C98-Y148 HydrophobicContact CB-CG 3.86Å; C98-Y148 WeakPolarHBondContact O-CE2 3.29Å
99R91.5Very high94.6Very high131 Ų13135.9 Ų35.949%0.49418%0.179SC..THydrogen-bonded Turntrans-93.816.6178.7-60.4-174.8-179.8-153.2-2.2113.6F97 D187F97-R99 VanDerWaalsContact C-N 3.29Å; F97-R99 HydrophobicContact CD2-CB 4.09Å; F97-R99 HydrophobicContact CE2-CB 4.19Å; F97-R99 WeakPolarHBondContact CE2-O 3.44Å; F97-R99 PolarHBondContact O-N 2.81Å; R99-D187 IonicContact NH1-OD1 2.66Å; R99-D187 PolarHBondContact NH1-OD1 3.29Å; R99-D187 IonicContact NH1-OD2 3.78Å
100C91.2Very high94.6Very high12 Ų1234.1 Ų34.18%0.08117%0.17CC..  trans-74.3128177.4-173.10000109.9F97 C98 C104F97-C100 HydrophobicContact CD1-CB 3.93Å; F97-C100 HydrophobicContact CD2-CB 4.17Å; F97-C100 HydrophobicContact CE1-CB 3.51Å; F97-C100 VanDerWaalsContact CE2-CA 3.42Å; F97-C100 HydrophobicContact CE2-CB 3.8Å; F97-C100 HydrophobicContact CG-CB 4.23Å; F97-C100 VanDerWaalsContact CZ-CA 3.41Å; F97-C100 HydrophobicContact CZ-CB 3.43Å; F97-C100 VanDerWaalsContact CZ-CB 3.43Å; F97-C100 WeakPolarHBondContact O-CB 3.06Å; F97-C100 PolarHBondContact O-N 2.61Å; C98-C100 VanDerWaalsContact C-N 3.34Å; C100-C104 HydrophobicContact CB-CB 3.53Å; C100-C104 WeakPolarHBondContact CB-SG 3.47Å; C100-C104 PolarHBondContact SG-N 2.94Å; C100-C104 VanDerWaalsContact SG-N 3.42Å; C100-C104 PolarHBondContact SG-SG 3.45Å
101P87.3Confident94.6Very high82 Ų8233.9 Ų33.953%0.53217%0.169SC..SBendtrans-65.5-49.7-17022.5-32.6000113
102D87.6Confident94.6Very high123 Ų12334.5 Ų34.566%0.65817%0.172SC*.SBendtrans-133.6-44-170.3-55.8-56.8000113.9P105 E106D102-P105 WeakPolarHBondContact O-CD 3.37Å; D102-E106 PolarHBondContact O-N 3.2Å
103I91.6Very high94.5Very high66 Ų6638.8 Ų38.834%0.33819%0.192SC..Hα-helixtrans-69.2-45.8-168.8-63.5173.3000112.5E106 Q107 I194I103-E106 PolarHBondContact O-N 3.4Å; I103-Q107 HydrophobicContact CG2-CG 4.38Å; I103-Q107 WeakPolarHBondContact O-CG 3.41Å; I103-Q107 PolarHBondContact O-N 3.03Å; I103-I194 HydrophobicContact CD1-CD1 3.97Å; I103-I194 HydrophobicContact CG2-CB 4.42Å; I103-I194 HydrophobicContact CG2-CD1 3.6Å; I103-I194 HydrophobicContact CG2-CG1 3.81Å; I103-I194 HydrophobicContact CG2-CG2 3.67Å
104C92.5Very high94.5Very high0 Ų038.8 Ų38.80%019%0.192CC..Hα-helixtrans-64.3-47.9179.8-65.50000112Y94 C100 E106 Q107 I108 H192Y94-C104 HydrophobicContact CE1-CB 4.21Å; Y94-C104 PolarHBondContact OH-SG 2.98Å; Y94-C104 VanDerWaalsContact OH-SG 3.42Å; C100-C104 HydrophobicContact CB-CB 3.53Å; C100-C104 WeakPolarHBondContact CB-SG 3.47Å; C100-C104 PolarHBondContact SG-N 2.94Å; C100-C104 VanDerWaalsContact SG-N 3.42Å; C100-C104 PolarHBondContact SG-SG 3.45Å; C104-E106 VanDerWaalsContact C-N 3.33Å; C104-E106 PolarHBondContact O-N 2.82Å; C104-Q107 PolarHBondContact O-N 3.38Å; C104-I108 HydrophobicContact CB-CD1 4.43Å; C104-I108 WeakPolarHBondContact O-CB 3.5Å; C104-I108 WeakPolarHBondContact O-CG1 3.29Å; C104-I108 PolarHBondContact O-N 2.8Å; C104-H192 PolarHBondContact SG-CE1 2.87Å; C104-H192 PolarHBondContact SG-NE2 3.12Å
105P95Very high94.4Very high30 Ų3038.8 Ų38.820%0.19519%0.192CC..Hα-helixtrans-51.6-49.2174.5-28.333.9000113D102 Q107 I108 E109 F152D102-P105 WeakPolarHBondContact O-CD 3.37Å; P105-Q107 PolarHBondContact O-N 3.03Å; P105-I108 PolarHBondContact O-N 2.89Å; P105-E109 WeakPolarHBondContact O-CG 3.48Å; P105-E109 PolarHBondContact O-N 3.02Å; P105-F152 HydrophobicContact CB-CE1 4.16Å; P105-F152 HydrophobicContact CB-CZ 4.11Å
106E95.3Very high94.2Very high85 Ų8541 Ų4140%0.39720%0.204SC..Hα-helixtrans-60.4-43.7179.2-167.9-150.8138.800112D102 I103 C104 E109 R110D102-E106 PolarHBondContact O-N 3.2Å; I103-E106 PolarHBondContact O-N 3.4Å; C104-E106 VanDerWaalsContact C-N 3.33Å; C104-E106 PolarHBondContact O-N 2.82Å; E106-E109 PolarHBondContact O-N 3.31Å; E106-R110 WeakPolarHBondContact O-CG 3.4Å; E106-R110 PolarHBondContact O-N 3.23Å; E106-R110 VanDerWaalsContact O-N 3.12Å; E106-R110 IonicContact OE1-NH1 2.61Å; E106-R110 PolarHBondContact OE1-NH1 2.83Å; E106-R110 VanDerWaalsContact OE1-NH1 3.08Å
107Q96.1Very high94.1Very high2 Ų244.4 Ų44.41%0.00922%0.217CC..Hα-helixtrans-68.9-35.9179.1-67.9-40.1-68.200112.5Y94 I103 C104 P105 R110 L111 I194 M196Y94-Q107 HydrophobicContact CD1-CB 4.13Å; Y94-Q107 HydrophobicContact CD2-CB 4.42Å; Y94-Q107 HydrophobicContact CE1-CB 3.62Å; Y94-Q107 HydrophobicContact CE1-CG 4.44Å; Y94-Q107 HydrophobicContact CE2-CB 3.97Å; Y94-Q107 HydrophobicContact CE2-CG 4.09Å; I103-Q107 HydrophobicContact CG2-CG 4.38Å; I103-Q107 WeakPolarHBondContact O-CG 3.41Å; I103-Q107 PolarHBondContact O-N 3.03Å; C104-Q107 PolarHBondContact O-N 3.38Å; P105-Q107 PolarHBondContact O-N 3.03Å; Q107-R110 PolarHBondContact O-N 3.25Å; Q107-L111 VanDerWaalsContact O-CB 3.26Å; Q107-L111 WeakPolarHBondContact O-CB 3.46Å; Q107-L111 PolarHBondContact O-N 3.45Å; Q107-I194 HydrophobicContact CG-CG2 3.49Å; Q107-I194 VanDerWaalsContact CG-CG2 3.49Å; Q107-M196 HydrophobicContact CB-CE 4.23Å; Q107-M196 WeakPolarHBondContact O-CE 3.4Å
108I96.4Very high94Very high0 Ų044.3 Ų44.30%022%0.217CC..Hα-helixtrans-67.2-41.8177.2-67165000110.4Y94 C104 P105 R110 L111 V112 F132 Y148 F152 L156Y94-I108 HydrophobicContact CD1-CG1 3.97Å; Y94-I108 HydrophobicContact CE1-CG1 4.11Å; C104-I108 HydrophobicContact CB-CD1 4.43Å; C104-I108 WeakPolarHBondContact O-CB 3.5Å; C104-I108 WeakPolarHBondContact O-CG1 3.29Å; C104-I108 PolarHBondContact O-N 2.8Å; P105-I108 PolarHBondContact O-N 2.89Å; I108-R110 VanDerWaalsContact C-N 3.33Å; I108-R110 PolarHBondContact O-N 2.97Å; I108-L111 WeakPolarHBondContact O-CB 3.26Å; I108-L111 PolarHBondContact O-N 2.85Å; I108-V112 HydrophobicContact CG2-CG2 4.41Å; I108-V112 WeakPolarHBondContact O-CG2 3.29Å; I108-V112 PolarHBondContact O-N 3.18Å; I108-F132 HydrophobicContact CD1-CD2 3.84Å; I108-F132 HydrophobicContact CD1-CE2 3.85Å; I108-F132 HydrophobicContact CD1-CG 4.24Å; I108-F132 HydrophobicContact CD1-CZ 4.28Å; I108-F132 HydrophobicContact CG1-CD2 4.05Å; I108-F132 HydrophobicContact CG1-CE2 4.4Å; I108-Y148 HydrophobicContact CD1-CE1 3.52Å; I108-F152 HydrophobicContact CB-CD1 4.06Å; I108-F152 HydrophobicContact CB-CE1 4.08Å; I108-F152 HydrophobicContact CB-CG 4.39Å; I108-F152 HydrophobicContact CB-CZ 4.44Å; I108-F152 HydrophobicContact CD1-CE2 4.18Å; I108-F152 HydrophobicContact CD1-CZ 4.21Å; I108-F152 HydrophobicContact CG2-CB 3.81Å; I108-F152 HydrophobicContact CG2-CD1 3.52Å; I108-F152 HydrophobicContact CG2-CD2 3.87Å; I108-F152 HydrophobicContact CG2-CE1 4.01Å; I108-F152 HydrophobicContact CG2-CE2 4.34Å; I108-F152 HydrophobicContact CG2-CG 3.44Å; I108-F152 VanDerWaalsContact CG2-CG 3.44Å; I108-F152 HydrophobicContact CG2-CZ 4.4Å; I108-L156 HydrophobicContact CG2-CD2 3.45Å; I108-L156 VanDerWaalsContact CG2-CD2 3.45Å
109E96.2Very high93.8Very high120 Ų12046 Ų4656%0.56122%0.224SC*.Hα-helixtrans-58.3-46.1174.1-73.6178.1-179.200111.4P105 E106 L111 V112 E113 F152P105-E109 WeakPolarHBondContact O-CG 3.48Å; P105-E109 PolarHBondContact O-N 3.02Å; E106-E109 PolarHBondContact O-N 3.31Å; E109-L111 PolarHBondContact O-N 3.27Å; E109-V112 PolarHBondContact O-N 2.91Å; E109-E113 WeakPolarHBondContact O-CB 3.48Å; E109-E113 PolarHBondContact O-N 3.28Å; E109-F152 HydrophobicContact CG-CD1 4.08Å; E109-F152 HydrophobicContact CG-CE1 4.21Å
110R96.3Very high93.6Very high42 Ų4246.5 Ų46.516%0.15824%0.236CC..Hα-helixtrans-62.7-41.7176-70.3168.573.8146.8-2112.2E106 Q107 I108 E113 V114 M196 Q211 K213 V215E106-R110 WeakPolarHBondContact O-CG 3.4Å; E106-R110 PolarHBondContact O-N 3.23Å; E106-R110 VanDerWaalsContact O-N 3.12Å; E106-R110 IonicContact OE1-NH1 2.61Å; E106-R110 PolarHBondContact OE1-NH1 2.83Å; E106-R110 VanDerWaalsContact OE1-NH1 3.08Å; Q107-R110 PolarHBondContact O-N 3.25Å; I108-R110 VanDerWaalsContact C-N 3.33Å; I108-R110 PolarHBondContact O-N 2.97Å; R110-E113 PolarHBondContact O-N 3.26Å; R110-V114 WeakPolarHBondContact O-CB 3.07Å; R110-V114 WeakPolarHBondContact O-CG2 3.18Å; R110-V114 PolarHBondContact O-N 3.03Å; R110-M196 HydrophobicContact CB-CE 3.8Å; R110-Q211 PolarHBondContact NH2-O 3.39Å; R110-K213 PolarHBondContact NH2-O 2.9Å; R110-V215 HydrophobicContact CB-CG2 4.27Å; R110-V215 HydrophobicContact CG-CG2 4.05Å
111L96.7Very high93.1Very high0 Ų050.4 Ų50.40%025%0.254CS..Hα-helixtrans-60.6-45.7177.5-179113.6000111.3L92 Q107 I108 E109 S115 P130 L156 M196L92-L111 HydrophobicContact CB-CD1 4.15Å; L92-L111 HydrophobicContact CD2-CB 4.48Å; L92-L111 HydrophobicContact CD2-CD1 3.82Å; L92-L111 HydrophobicContact CD2-CG 3.95Å; L92-L111 HydrophobicContact CG-CD1 3.62Å; L92-L111 HydrophobicContact CG-CG 4.23Å; Q107-L111 VanDerWaalsContact O-CB 3.26Å; Q107-L111 WeakPolarHBondContact O-CB 3.46Å; Q107-L111 PolarHBondContact O-N 3.45Å; I108-L111 WeakPolarHBondContact O-CB 3.26Å; I108-L111 PolarHBondContact O-N 2.85Å; E109-L111 PolarHBondContact O-N 3.27Å; L111-S115 WeakPolarHBondContact O-CB 3.46Å; L111-S115 PolarHBondContact O-N 3.38Å; L111-S115 VanDerWaalsContact O-N 3.1Å; L111-P130 HydrophobicContact CD2-CB 3.37Å; L111-P130 HydrophobicContact CG-CB 3.95Å; L111-L156 HydrophobicContact CD2-CD1 3.6Å; L111-M196 HydrophobicContact CB-CE 4.1Å; L111-M196 HydrophobicContact CB-SD 4.21Å; L111-M196 HydrophobicContact CD1-CG 4.14Å; L111-M196 HydrophobicContact CD1-SD 4.1Å
112V96.8Very high92.2Very high14 Ų1450 Ų509%0.08525%0.245CC..Hα-helixtrans-65.5-46.7175.7170.40000110.8I108 E109 V114 S115 D116I108-V112 HydrophobicContact CG2-CG2 4.41Å; I108-V112 WeakPolarHBondContact O-CG2 3.29Å; I108-V112 PolarHBondContact O-N 3.18Å; E109-V112 PolarHBondContact O-N 2.91Å; V112-V114 PolarHBondContact O-N 3.23Å; V112-S115 WeakPolarHBondContact O-CB 3.46Å; V112-S115 PolarHBondContact O-N 3.47Å; V112-S115 VanDerWaalsContact O-N 3.14Å; V112-D116 PolarHBondContact O-N 3.32Å
113E96.4Very high91.6Very high90 Ų9053.2 Ų53.242%0.42125%0.254SS..Hα-helixtrans-59.6-45.4179.5-168.6-163.9149.700111.4E109 R110 S115 D116 R117 V215E109-E113 WeakPolarHBondContact O-CB 3.48Å; E109-E113 PolarHBondContact O-N 3.28Å; R110-E113 PolarHBondContact O-N 3.26Å; E113-S115 VanDerWaalsContact C-N 3.33Å; E113-S115 PolarHBondContact O-N 3.27Å; E113-D116 PolarHBondContact O-N 3.17Å; E113-R117 HydrophobicContact CG-CG 4.42Å; E113-R117 WeakPolarHBondContact O-CB 3.42Å; E113-R117 VanDerWaalsContact O-CG 3.24Å; E113-R117 WeakPolarHBondContact O-CG 3.31Å; E113-R117 PolarHBondContact O-N 3.23Å; E113-R117 IonicContact OE1-NH1 3.62Å; E113-V215 HydrophobicContact CB-CG1 4.29Å; E113-V215 HydrophobicContact CG-CG1 4.01Å; E113-V215 WeakPolarHBondContact OE1-CG1 3.49Å
114V96.4Very high90.9Very high0 Ų051.3 Ų51.30%025%0.246CC..Hα-helixtrans-57.5-48.9175.1167.60000110.3L92 R110 V112 R117 I118 L128 V215 I218 V219 I222L92-V114 HydrophobicContact CD2-CB 4.13Å; L92-V114 HydrophobicContact CD2-CG1 3.83Å; R110-V114 WeakPolarHBondContact O-CB 3.07Å; R110-V114 WeakPolarHBondContact O-CG2 3.18Å; R110-V114 PolarHBondContact O-N 3.03Å; V112-V114 PolarHBondContact O-N 3.23Å; V114-R117 PolarHBondContact O-N 3Å; V114-I118 VanDerWaalsContact O-CG1 3.3Å; V114-I118 WeakPolarHBondContact O-CG1 3.23Å; V114-I118 PolarHBondContact O-N 3.09Å; V114-I118 VanDerWaalsContact O-N 3.08Å; V114-L128 HydrophobicContact CG1-CD2 4.42Å; V114-V215 HydrophobicContact CG2-CB 4.36Å; V114-V215 HydrophobicContact CG2-CG1 3.59Å; V114-I218 HydrophobicContact CB-CG2 4.42Å; V114-I218 HydrophobicContact CG1-CG2 3.73Å; V114-I218 HydrophobicContact CG2-CB 3.99Å; V114-I218 HydrophobicContact CG2-CD1 4.4Å; V114-I218 HydrophobicContact CG2-CG2 3.75Å; V114-V219 HydrophobicContact CB-CG2 4.37Å; V114-V219 HydrophobicContact CG1-CG2 4.18Å; V114-V219 HydrophobicContact CG2-CG2 4.27Å; V114-I222 HydrophobicContact CG1-CD1 3.44Å; V114-I222 VanDerWaalsContact CG1-CD1 3.44Å
115S95.2Very high90.5Very high0 Ų058.7 Ų58.70%028%0.278CS..Hα-helixtrans-58.4-49.9179178.30000111.9L111 V112 E113 R117 I118 M119 L128 P130L111-S115 WeakPolarHBondContact O-CB 3.46Å; L111-S115 PolarHBondContact O-N 3.38Å; L111-S115 VanDerWaalsContact O-N 3.1Å; V112-S115 WeakPolarHBondContact O-CB 3.46Å; V112-S115 PolarHBondContact O-N 3.47Å; V112-S115 VanDerWaalsContact O-N 3.14Å; E113-S115 VanDerWaalsContact C-N 3.33Å; E113-S115 PolarHBondContact O-N 3.27Å; S115-R117 PolarHBondContact O-N 2.98Å; S115-I118 PolarHBondContact O-N 3.19Å; S115-M119 VanDerWaalsContact O-CG 3.27Å; S115-M119 WeakPolarHBondContact O-CG 3.32Å; S115-M119 PolarHBondContact O-N 3.45Å; S115-L128 PolarHBondContact OG-O 3.13Å; S115-P130 WeakPolarHBondContact OG-CD 3.25Å
116D94.1Very high90.3Very high47 Ų4759.8 Ų59.825%0.25128%0.278SS..Hα-helixtrans-66.2-39.8-176.9-74.9-22.2000112.3V112 E113 I118 M119 L120 R155V112-D116 PolarHBondContact O-N 3.32Å; E113-D116 PolarHBondContact O-N 3.17Å; D116-I118 PolarHBondContact O-N 3.14Å; D116-M119 PolarHBondContact O-N 3.38Å; D116-L120 WeakPolarHBondContact O-CB 3.38Å; D116-L120 VanDerWaalsContact O-CG 3.26Å; D116-L120 WeakPolarHBondContact O-CG 3.45Å; D116-L120 PolarHBondContact O-N 3.33Å; D116-R155 IonicContact OD1-CZ 3.26Å; D116-R155 IonicContact OD1-NH1 3.11Å; D116-R155 PolarHBondContact OD1-NH1 3.39Å
117R94.2Very high90.2Very high72 Ų7257.9 Ų57.927%0.27227%0.273SS..Hα-helixtrans-62.8-42.4175.5-71.6178.866.9-176.7-1.3112.1E113 V114 S115 L120 I121 V219E113-R117 HydrophobicContact CG-CG 4.42Å; E113-R117 WeakPolarHBondContact O-CB 3.42Å; E113-R117 VanDerWaalsContact O-CG 3.24Å; E113-R117 WeakPolarHBondContact O-CG 3.31Å; E113-R117 PolarHBondContact O-N 3.23Å; E113-R117 IonicContact OE1-NH1 3.62Å; V114-R117 PolarHBondContact O-N 3Å; S115-R117 PolarHBondContact O-N 2.98Å; R117-L120 PolarHBondContact O-N 3.22Å; R117-I121 VanDerWaalsContact O-CD1 3.26Å; R117-I121 WeakPolarHBondContact O-CD1 3.21Å; R117-I121 WeakPolarHBondContact O-CG1 3.26Å; R117-I121 PolarHBondContact O-N 3.49Å; R117-I121 VanDerWaalsContact O-N 3.16Å; R117-V219 HydrophobicContact CB-CG2 4.04Å
118I92.7Very high90.2Very high0 Ų058 Ų580%027%0.274CS..Hα-helixtrans-62.3-46.4176.1-70-70.9000110.8V114 S115 D116 L120 I121 E122 P124 L128 V219 I222 K223 M226V114-I118 VanDerWaalsContact O-CG1 3.3Å; V114-I118 WeakPolarHBondContact O-CG1 3.23Å; V114-I118 PolarHBondContact O-N 3.09Å; V114-I118 VanDerWaalsContact O-N 3.08Å; S115-I118 PolarHBondContact O-N 3.19Å; D116-I118 PolarHBondContact O-N 3.14Å; I118-L120 VanDerWaalsContact C-N 3.31Å; I118-L120 PolarHBondContact O-N 3.45Å; I118-I121 PolarHBondContact O-N 2.81Å; I118-E122 PolarHBondContact O-N 2.83Å; I118-P124 HydrophobicContact CG2-CG 4.42Å; I118-L128 HydrophobicContact CB-CD2 4.08Å; I118-L128 HydrophobicContact CG1-CD2 3.98Å; I118-L128 HydrophobicContact CG2-CB 4.14Å; I118-L128 HydrophobicContact CG2-CD2 4.16Å; I118-V219 HydrophobicContact CD1-CB 4.44Å; I118-V219 HydrophobicContact CD1-CG1 3.85Å; I118-V219 HydrophobicContact CG1-CG1 4.42Å; I118-I222 HydrophobicContact CD1-CB 4.11Å; I118-I222 HydrophobicContact CD1-CG2 3.84Å; I118-I222 HydrophobicContact CG1-CG2 4.15Å; I118-K223 HydrophobicContact CD1-CD 4.49Å; I118-K223 HydrophobicContact CD1-CG 3.7Å; I118-M226 HydrophobicContact CG2-CE 3.96Å; I118-M226 HydrophobicContact CG2-SD 3.8Å
119M89.7Confident90.1Very high51 Ų5159 Ų5925%0.25128%0.28SS..Hα-helixtrans-65.9-31.6-178.2-69.2-56-62.200113.1S115 D116 P124 P127 L128S115-M119 VanDerWaalsContact O-CG 3.27Å; S115-M119 WeakPolarHBondContact O-CG 3.32Å; S115-M119 PolarHBondContact O-N 3.45Å; D116-M119 PolarHBondContact O-N 3.38Å; M119-P124 HydrophobicContact SD-CG 4.1Å; M119-P127 HydrophobicContact CE-CB 3.77Å; M119-P127 HydrophobicContact SD-CB 3.87Å; M119-L128 PolarHBondContact SD-N 3.13Å; M119-L128 VanDerWaalsContact SD-N 3.45Å
120L88.2Confident90.2Very high141 Ų14153.4 Ų53.474%0.73825%0.254SS*.Hα-helixtrans-74.9-36.8176.2-73.4170.2000113.2D116 R117 I118D116-L120 WeakPolarHBondContact O-CB 3.38Å; D116-L120 VanDerWaalsContact O-CG 3.26Å; D116-L120 WeakPolarHBondContact O-CG 3.45Å; D116-L120 PolarHBondContact O-N 3.33Å; R117-L120 PolarHBondContact O-N 3.22Å; I118-L120 VanDerWaalsContact C-N 3.31Å; I118-L120 PolarHBondContact O-N 3.45Å
121I79.6Confident90.3Very high93 Ų9351.4 Ų51.448%0.47725%0.247SC..Hα-helixtrans-84.1-46.8-170.1-62.6163.1000112.5R117 I118 V219R117-I121 VanDerWaalsContact O-CD1 3.26Å; R117-I121 WeakPolarHBondContact O-CD1 3.21Å; R117-I121 WeakPolarHBondContact O-CG1 3.26Å; R117-I121 PolarHBondContact O-N 3.49Å; R117-I121 VanDerWaalsContact O-N 3.16Å; I118-I121 PolarHBondContact O-N 2.81Å; I121-V219 HydrophobicContact CD1-CG1 4.49Å
122E68.7Low90.4Very high73 Ų7351.4 Ų51.434%0.34125%0.247SC..Hα-helixtrans-96.4-24.9-166-68.9-63.5143.600113.7I118 P124 K223I118-E122 PolarHBondContact O-N 2.83Å; E122-P124 HydrophobicContact CB-CB 3.99Å; E122-P124 HydrophobicContact CB-CG 4.33Å; E122-K223 HydrophobicContact CG-CG 4.39Å; E122-K223 WeakPolarHBondContact OE1-CE 3.35Å; E122-K223 IonicContact OE1-NZ 3.9Å; E122-K223 PolarHBondContact OE1-NZ 3.13Å
123K74.7Confident90.4Very high192 Ų19250.8 Ų50.884%0.83524%0.243SC*.  trans3956.4-155.8-67.2-177.1178.2178.30109.7
124P77.2Confident90.5Very high26 Ų2646.5 Ų46.517%0.16922%0.223CC..  trans-62.1149.8-163.427.8-34.3000110.6I118 M119 E122 Y126 M226I118-P124 HydrophobicContact CG2-CG 4.42Å; M119-P124 HydrophobicContact SD-CG 4.1Å; E122-P124 HydrophobicContact CB-CB 3.99Å; E122-P124 HydrophobicContact CB-CG 4.33Å; P124-Y126 WeakPolarHBondContact CB-O 3.39Å; P124-Y126 WeakPolarHBondContact CG-O 3.35Å; P124-Y126 PolarHBondContact O-N 2.94Å; P124-Y126 VanDerWaalsContact O-N 3.09Å; P124-M226 HydrophobicContact CB-CE 3.8Å; P124-M226 HydrophobicContact CB-SD 4.21Å; P124-M226 HydrophobicContact CG-CE 3.94Å
125K85Confident90.5Very high154 Ų15446.7 Ų46.767%0.6722%0.224SC*.SBendtrans-49.8-37.6175.3-179.5-179.3177.8-179.70112D231K125-D231 IonicContact NZ-OD2 2.66Å; K125-D231 PolarHBondContact NZ-OD2 3.13Å
126Y89.8Confident90.5Very high53 Ų5347 Ų4721%0.20823%0.225CC..SBendtrans-118.9124.3175-58-61.1000109.5G88 P124 P201 M226 Y229 D231G88-Y126 WeakPolarHBondContact O-CD1 3.41Å; P124-Y126 WeakPolarHBondContact CB-O 3.39Å; P124-Y126 WeakPolarHBondContact CG-O 3.35Å; P124-Y126 PolarHBondContact O-N 2.94Å; P124-Y126 VanDerWaalsContact O-N 3.09Å; Y126-P201 HydrophobicContact CD1-CB 4.45Å; Y126-P201 HydrophobicContact CD1-CG 4.46Å; Y126-P201 HydrophobicContact CD2-CB 4.25Å; Y126-P201 HydrophobicContact CD2-CG 3.59Å; Y126-P201 HydrophobicContact CE2-CG 4.19Å; Y126-P201 HydrophobicContact CG-CB 4.19Å; Y126-P201 HydrophobicContact CG-CG 3.73Å; Y126-M226 WeakPolarHBondContact O-CE 3.34Å; Y126-Y229 HydrophobicContact CD2-CD1 4.37Å; Y126-Y229 HydrophobicContact CD2-CE1 4.22Å; Y126-Y229 HydrophobicContact CE2-CD1 4.13Å; Y126-Y229 AromaticContact CE2-CE1 3.75Å; Y126-Y229 HydrophobicContact CE2-CE1 3.75Å; Y126-D231 VanDerWaalsContact CE2-OD1 3.24Å; Y126-D231 WeakPolarHBondContact CE2-OD1 3.46Å; Y126-D231 VanDerWaalsContact CZ-OD1 3.27Å; Y126-D231 PolarHBondContact OH-OD1 3Å; Y126-D231 PolarHBondContact OH-OD2 2.93Å
127P93Very high90.4Very high45 Ų4546.3 Ų46.329%0.29222%0.224SC..  trans-68.6154.2-179.830.3-35.6000111.2K89 W90 M119K89-P127 CarbonylContact C-O 3.53Å; K89-P127 WeakPolarHBondContact CA-O 3.37Å; K89-P127 HydrophobicContact CB-CG 4.26Å; K89-P127 HydrophobicContact CD-CG 4.24Å; K89-P127 HydrophobicContact CG-CG 3.86Å; W90-P127 PolarHBondContact N-O 2.92Å; M119-P127 HydrophobicContact CE-CB 3.77Å; M119-P127 HydrophobicContact SD-CB 3.87Å
128L95.9Very high90.4Very high6 Ų649.3 Ų49.33%0.03124%0.242CC..EExtended strand (participates in β ladder)trans-95.2127170.4-176.961.9000109.4W90 L92 V114 S115 I118 M119 L198 I222 M226W90-L128 HydrophobicContact CB-CB 4.36Å; W90-L128 HydrophobicContact CB-CD1 3.42Å; W90-L128 VanDerWaalsContact CB-CD1 3.42Å; W90-L128 CarbonylContact O-C 3.5Å; W90-L128 WeakPolarHBondContact O-CA 3.42Å; L92-L128 HydrophobicContact CB-CD1 4.15Å; V114-L128 HydrophobicContact CG1-CD2 4.42Å; S115-L128 PolarHBondContact OG-O 3.13Å; I118-L128 HydrophobicContact CB-CD2 4.08Å; I118-L128 HydrophobicContact CG1-CD2 3.98Å; I118-L128 HydrophobicContact CG2-CB 4.14Å; I118-L128 HydrophobicContact CG2-CD2 4.16Å; M119-L128 PolarHBondContact SD-N 3.13Å; M119-L128 VanDerWaalsContact SD-N 3.45Å; L128-L198 HydrophobicContact CD1-CD1 4Å; L128-I222 HydrophobicContact CD2-CD1 4.09Å; L128-I222 HydrophobicContact CD2-CG2 4.26Å; L128-M226 HydrophobicContact CB-CE 4.44Å
129V96.1Very high90.4Very high21 Ų2150.7 Ų50.713%0.12725%0.247CC..EExtended strand (participates in β ladder)trans-112.2121.3179.7-176.90000109.8F86 K89 W90 V91 L92 V131F86-V129 HydrophobicContact CD1-CB 4.41Å; F86-V129 HydrophobicContact CD1-CG1 4.24Å; F86-V129 HydrophobicContact CE1-CG1 3.95Å; K89-V129 HydrophobicContact CB-CG2 4.09Å; K89-V129 HydrophobicContact CD-CG2 3.61Å; K89-V129 HydrophobicContact CG-CG2 4.43Å; W90-V129 PolarHBondContact O-N 2.84Å; V91-V129 WeakPolarHBondContact CA-O 3.27Å; L92-V129 PolarHBondContact N-O 2.8Å; V129-V131 HydrophobicContact CG1-CG2 4.08Å
130P97.8Very high90.7Very high2 Ų248.3 Ų48.31%0.01324%0.235CC..EExtended strand (participates in β ladder)trans-77.8127.5171.926.7-23.4000110.1L111 S115 R155 L156 T157L111-P130 HydrophobicContact CD2-CB 3.37Å; L111-P130 HydrophobicContact CG-CB 3.95Å; S115-P130 WeakPolarHBondContact OG-CD 3.25Å; P130-R155 HydrophobicContact CG-CB 4.32Å; P130-L156 HydrophobicContact CB-CD1 4.02Å; P130-T157 PolarHBondContact O-N 3.47Å
131V98Very high91Very high0 Ų044.6 Ų44.60%022%0.218CC..EExtended strand (participates in β ladder)trans-127.5127.2-179-178.40000109.6F86 V91 L92 L93 Y94 V129 V133 T157 L159F86-V131 HydrophobicContact CD1-CG2 4.38Å; F86-V131 HydrophobicContact CE1-CG2 3.65Å; F86-V131 HydrophobicContact CZ-CG2 3.85Å; V91-V131 HydrophobicContact CG1-CB 3.98Å; V91-V131 HydrophobicContact CG1-CG2 3.5Å; L92-V131 PolarHBondContact O-N 3.17Å; L93-V131 CarbonylContact C-O 3.49Å; L93-V131 WeakPolarHBondContact CA-O 3.46Å; L93-V131 HydrophobicContact CD1-CB 3.73Å; L93-V131 HydrophobicContact CD1-CG1 3.48Å; L93-V131 VanDerWaalsContact CD1-CG1 3.48Å; Y94-V131 PolarHBondContact N-O 3.05Å; V129-V131 HydrophobicContact CG1-CG2 4.08Å; V131-V133 HydrophobicContact CG1-CG2 4.35Å; V131-T157 CarbonylContact C-O 3.5Å; V131-T157 WeakPolarHBondContact CA-O 3.45Å; V131-L159 HydrophobicContact CG1-CD1 3.54Å; V131-L159 HydrophobicContact CG1-CG 3.85Å
132F97.9Very high91.7Very high0 Ų042 Ų420%021%0.207CC..EExtended strand (participates in β ladder)trans-110.2125.1174.2170.6-109.3000109.3Y94 I108 L145 Y148 V149 L156 T157 G158 L159Y94-F132 AromaticContact CD1-CD2 3.84Å; Y94-F132 HydrophobicContact CD1-CD2 3.84Å; Y94-F132 HydrophobicContact CD1-CE2 4.19Å; Y94-F132 HydrophobicContact CE1-CD2 4.33Å; Y94-F132 HydrophobicContact CE1-CE2 4.23Å; Y94-F132 CarbonylContact O-C 3.48Å; Y94-F132 WeakPolarHBondContact O-CA 3.45Å; I108-F132 HydrophobicContact CD1-CD2 3.84Å; I108-F132 HydrophobicContact CD1-CE2 3.85Å; I108-F132 HydrophobicContact CD1-CG 4.24Å; I108-F132 HydrophobicContact CD1-CZ 4.28Å; I108-F132 HydrophobicContact CG1-CD2 4.05Å; I108-F132 HydrophobicContact CG1-CE2 4.4Å; F132-L145 HydrophobicContact CD1-CD1 3.69Å; F132-L145 HydrophobicContact CE1-CD1 3.55Å; F132-Y148 HydrophobicContact CE1-CD1 4.08Å; F132-Y148 HydrophobicContact CE1-CE1 4.04Å; F132-Y148 HydrophobicContact CZ-CE1 4.1Å; F132-V149 HydrophobicContact CD1-CG1 4.24Å; F132-L156 HydrophobicContact CB-CD1 4.01Å; F132-L156 HydrophobicContact CB-CG 4.45Å; F132-T157 PolarHBondContact N-O 2.81Å; F132-G158 CarbonylContact O-C 3.57Å; F132-G158 WeakPolarHBondContact O-CA 3.41Å; F132-L159 PolarHBondContact O-N 3.49Å
133V97.8Very high93Very high1 Ų144.1 Ų44.11%0.00622%0.221CC..EExtended strand (participates in β ladder)trans-108.6118.1177.1-176.30000108.8L73 L93 Y94 F95 G96 V131 L159 I166L73-V133 HydrophobicContact CD1-CG1 3.9Å; L73-V133 HydrophobicContact CD1-CG2 4.46Å; L93-V133 HydrophobicContact CD1-CG2 3.46Å; L93-V133 VanDerWaalsContact CD1-CG2 3.46Å; L93-V133 HydrophobicContact CG-CG2 4.32Å; Y94-V133 PolarHBondContact O-N 2.79Å; F95-V133 WeakPolarHBondContact CA-O 3.42Å; F95-V133 HydrophobicContact CD1-CB 3.7Å; F95-V133 HydrophobicContact CD1-CG1 3.88Å; F95-V133 HydrophobicContact CD1-CG2 4.33Å; F95-V133 HydrophobicContact CE1-CB 3.92Å; F95-V133 HydrophobicContact CE1-CG1 3.94Å; F95-V133 HydrophobicContact CE1-CG2 4.12Å; F95-V133 HydrophobicContact CG-CB 4.37Å; G96-V133 PolarHBondContact N-O 2.8Å; V131-V133 HydrophobicContact CG1-CG2 4.35Å; V133-L159 CarbonylContact C-O 3.41Å; V133-L159 WeakPolarHBondContact CA-O 3.38Å; V133-L159 HydrophobicContact CG2-CB 4.22Å; V133-L159 HydrophobicContact CG2-CD1 4.29Å; V133-I166 HydrophobicContact CG1-CD1 4.2Å
134S97.7Very high94Very high0 Ų037.7 Ų37.70%020%0.198CC..EExtended strand (participates in β ladder)trans-72.5129.8170.1178.90000110.5G96 D136 D140 L159 I166G96-S134 CarbonylContact O-C 3.49Å; G96-S134 WeakPolarHBondContact O-CA 3.36Å; S134-D136 PolarHBondContact OG-N 3.01Å; S134-D136 VanDerWaalsContact OG-N 3.09Å; S134-D140 WeakPolarHBondContact CB-OD2 3.4Å; S134-D140 VanDerWaalsContact OG-CB 3.25Å; S134-D140 WeakPolarHBondContact OG-CB 3.39Å; S134-D140 VanDerWaalsContact OG-CG 3.29Å; S134-D140 PolarHBondContact OG-OD2 2.91Å; S134-L159 PolarHBondContact N-O 3.08Å; S134-I166 VanDerWaalsContact O-CD1 3.27Å; S134-I166 WeakPolarHBondContact O-CD1 3.34Å
135V96.3Very high95Very high3 Ų336.5 Ų36.52%0.01819%0.19CC..SBendtrans-88.1-8.4171.4-59.30000112.7F95 G96 S137 I166 I175 Y177 V190 H192F95-V135 HydrophobicContact CB-CG1 4.08Å; F95-V135 HydrophobicContact CD1-CG1 4.26Å; G96-V135 WeakPolarHBondContact O-CG2 3.31Å; G96-V135 PolarHBondContact O-N 3.33Å; V135-S137 PolarHBondContact O-N 2.91Å; V135-I166 HydrophobicContact CB-CG2 4.15Å; V135-I166 HydrophobicContact CG1-CG2 4.41Å; V135-I175 HydrophobicContact CG1-CG2 4.49Å; V135-Y177 HydrophobicContact CB-CD1 4.45Å; V135-Y177 HydrophobicContact CB-CD2 3.83Å; V135-Y177 HydrophobicContact CB-CE2 4.26Å; V135-Y177 HydrophobicContact CB-CG 3.89Å; V135-Y177 HydrophobicContact CG1-CG 4.32Å; V135-Y177 HydrophobicContact CG2-CD2 4.05Å; V135-Y177 HydrophobicContact CG2-CG 4.17Å; V135-Y177 WeakPolarHBondContact O-CE2 3.31Å; V135-V190 HydrophobicContact CG2-CG1 3.93Å; V135-H192 HydrophobicContact CG2-CB 4.41Å
136D95.8Very high95.5Very high6 Ų630.5 Ų30.53%0.03217%0.169CC..  trans-103.472.9-176.6-169.6-13.1000111.6F97 S134 E138 R139 D140 Y188 V190F97-D136 HydrophobicContact CB-CB 3.86Å; S134-D136 PolarHBondContact OG-N 3.01Å; S134-D136 VanDerWaalsContact OG-N 3.09Å; D136-E138 PolarHBondContact O-N 3.48Å; D136-E138 VanDerWaalsContact O-N 3.09Å; D136-E138 PolarHBondContact OD1-N 2.88Å; D136-R139 PolarHBondContact O-N 3Å; D136-R139 PolarHBondContact OD1-N 3.13Å; D136-R139 VanDerWaalsContact OD1-N 3.17Å; D136-R139 IonicContact OD1-NE 3.01Å; D136-R139 IonicContact OD2-CZ 3.59Å; D136-R139 IonicContact OD2-NE 2.75Å; D136-R139 PolarHBondContact OD2-NE 3.09Å; D136-R139 IonicContact OD2-NH2 3.68Å; D136-R139 PolarHBondContact OD2-NH2 3.31Å; D136-D140 VanDerWaalsContact O-CB 3.3Å; D136-D140 WeakPolarHBondContact O-CB 3.43Å; D136-D140 PolarHBondContact O-N 3.13Å; D136-Y188 PolarHBondContact OD1-OH 2.56Å; D136-V190 HydrophobicContact CB-CG2 4.48Å
137S93.1Very high95.8Very high33 Ų3335.1 Ų35.123%0.23119%0.19CC..THydrogen-bonded Turntrans-61.5-16.3178.558.10000114.6V135 G161 K163V135-S137 PolarHBondContact O-N 2.91Å; S137-G161 WeakPolarHBondContact CB-O 3.41Å; S137-K163 WeakPolarHBondContact OG-CA 3.27Å; S137-K163 PolarHBondContact OG-N 2.96Å
138E92.5Very high95.9Very high136 Ų13634.6 Ų34.664%0.63618%0.183SC*.THydrogen-bonded Turntrans-82-34.3-177.7-66-175.7-177.300112D136 Y188D136-E138 PolarHBondContact O-N 3.48Å; D136-E138 VanDerWaalsContact O-N 3.09Å; D136-E138 PolarHBondContact OD1-N 2.88Å; E138-Y188 PolarHBondContact OE2-OH 3.38Å
139R93.4Very high95.9Very high29 Ų2934.5 Ų34.511%0.10918%0.183CC..THydrogen-bonded Turntrans-109.7-30.7-177.2-62.4-175.7-64.4176.3-1.6113.5D136 T141 D187 Y188D136-R139 PolarHBondContact O-N 3Å; D136-R139 PolarHBondContact OD1-N 3.13Å; D136-R139 VanDerWaalsContact OD1-N 3.17Å; D136-R139 IonicContact OD1-NE 3.01Å; D136-R139 IonicContact OD2-CZ 3.59Å; D136-R139 IonicContact OD2-NE 2.75Å; D136-R139 PolarHBondContact OD2-NE 3.09Å; D136-R139 IonicContact OD2-NH2 3.68Å; D136-R139 PolarHBondContact OD2-NH2 3.31Å; R139-T141 PolarHBondContact O-N 2.84Å; R139-D187 IonicContact CZ-OD1 3.08Å; R139-D187 IonicContact NH1-OD1 3.05Å; R139-D187 PolarHBondContact NH1-OD1 2.65Å; R139-D187 IonicContact NH1-OD2 3.89Å; R139-Y188 HydrophobicContact CG-CE1 4.47Å; R139-Y188 VanDerWaalsContact CZ-O 3.28Å; R139-Y188 VanDerWaalsContact NE-CZ 3.26Å; R139-Y188 PolarHBondContact NE-OH 3.49Å; R139-Y188 PolarHBondContact NH1-O 2.82Å; R139-Y188 VanDerWaalsContact NH2-CD2 3.32Å; R139-Y188 PolarHBondContact NH2-O 3.02Å
140D95.2Very high95.8Very high0 Ų041.5 Ų41.50%021%0.211CC..  trans-93.775.2-175.1-64.5-10.3000111F97 C98 S134 D136 T160F97-D140 WeakPolarHBondContact CA-OD2 3.26Å; C98-D140 WeakPolarHBondContact CB-OD1 3.3Å; C98-D140 PolarHBondContact N-OD2 3.16Å; C98-D140 PolarHBondContact SG-OD2 2.74Å; S134-D140 WeakPolarHBondContact CB-OD2 3.4Å; S134-D140 VanDerWaalsContact OG-CB 3.25Å; S134-D140 WeakPolarHBondContact OG-CB 3.39Å; S134-D140 VanDerWaalsContact OG-CG 3.29Å; S134-D140 PolarHBondContact OG-OD2 2.91Å; D136-D140 VanDerWaalsContact O-CB 3.3Å; D136-D140 WeakPolarHBondContact O-CB 3.43Å; D136-D140 PolarHBondContact O-N 3.13Å; D140-T160 PolarHBondContact O-OG1 3.48Å; D140-T160 VanDerWaalsContact O-OG1 3.04Å
141T94.6Very high95.7Very high63 Ų6348 Ų4839%0.38725%0.246SC..  trans-65.4158.1170.367.70000110.6R139 D143 V144 L145R139-T141 PolarHBondContact O-N 2.84Å; T141-D143 PolarHBondContact O-N 3.25Å; T141-D143 VanDerWaalsContact O-N 3.12Å; T141-V144 PolarHBondContact O-N 3.35Å; T141-V144 WeakPolarHBondContact OG1-CG2 3.2Å; T141-V144 PolarHBondContact OG1-N 2.79Å; T141-L145 WeakPolarHBondContact O-CB 3.32Å; T141-L145 PolarHBondContact O-N 2.83Å
142P95.8Very high95.5Very high38 Ų3850.3 Ų50.325%0.24726%0.256CS..Hα-helixtrans-50.1-39176.2-29.536.2000113.4I74 L145 A146 T160I74-P142 HydrophobicContact CG2-CG 4.08Å; P142-L145 PolarHBondContact O-N 2.75Å; P142-A146 VanDerWaalsContact O-CB 3.32Å; P142-A146 WeakPolarHBondContact O-CB 3.3Å; P142-A146 PolarHBondContact O-N 3.46Å; P142-T160 HydrophobicContact CG-CG2 3.89Å
143D95.9Very high95.3Very high118 Ų11850.8 Ų50.863%0.63126%0.259SS*.Hα-helixtrans-66.5-39.9178.4-63.3-43.2000113.7T141 K147T141-D143 PolarHBondContact O-N 3.25Å; T141-D143 VanDerWaalsContact O-N 3.12Å; D143-K147 WeakPolarHBondContact O-CG 3.25Å; D143-K147 PolarHBondContact O-N 3.32Å
144V95.9Very high95.1Very high58 Ų5857.2 Ų57.235%0.35230%0.301SS..Hα-helixtrans-68-45.6175.9173.50000109.2C98 T141 A146 K147 Y148C98-V144 HydrophobicContact CB-CG1 4.32Å; T141-V144 PolarHBondContact O-N 3.35Å; T141-V144 WeakPolarHBondContact OG1-CG2 3.2Å; T141-V144 PolarHBondContact OG1-N 2.79Å; V144-A146 VanDerWaalsContact C-N 3.32Å; V144-A146 PolarHBondContact O-N 2.96Å; V144-K147 PolarHBondContact O-N 3.01Å; V144-Y148 PolarHBondContact O-N 2.81Å
145L96.8Very high94.9Very high0 Ų063.2 Ų63.20%032%0.324CS..Hα-helixtrans-61-40.6178.6-173.662.1000111.8H76 C98 F132 T141 P142 K147 Y148 V149 T160H76-L145 HydrophobicContact CB-CB 4.26Å; H76-L145 HydrophobicContact CB-CD2 4.14Å; H76-L145 HydrophobicContact CB-CG 3.98Å; C98-L145 VanDerWaalsContact SG-CD1 3.58Å; F132-L145 HydrophobicContact CD1-CD1 3.69Å; F132-L145 HydrophobicContact CE1-CD1 3.55Å; T141-L145 WeakPolarHBondContact O-CB 3.32Å; T141-L145 PolarHBondContact O-N 2.83Å; P142-L145 PolarHBondContact O-N 2.75Å; L145-K147 VanDerWaalsContact C-N 3.33Å; L145-K147 PolarHBondContact O-N 2.86Å; L145-Y148 PolarHBondContact O-N 2.91Å; L145-V149 HydrophobicContact CD1-CG1 4.02Å; L145-V149 HydrophobicContact CG-CG1 4.31Å; L145-V149 WeakPolarHBondContact O-CG1 3.41Å; L145-V149 WeakPolarHBondContact O-CG2 3.33Å; L145-V149 PolarHBondContact O-N 3.36Å; L145-T160 HydrophobicContact CD2-CG2 4.06Å
146A96.4Very high94.9Very high28 Ų2863.2 Ų63.223%0.23132%0.324CS..Hα-helixtrans-60.5-42.1178.400000112.5H76 P142 V144 K150H76-A146 HydrophobicContact CB-CB 4.05Å; H76-A146 WeakPolarHBondContact O-CB 3.31Å; P142-A146 VanDerWaalsContact O-CB 3.32Å; P142-A146 WeakPolarHBondContact O-CB 3.3Å; P142-A146 PolarHBondContact O-N 3.46Å; V144-A146 VanDerWaalsContact C-N 3.32Å; V144-A146 PolarHBondContact O-N 2.96Å; A146-K150 WeakPolarHBondContact O-CB 3.44Å; A146-K150 PolarHBondContact O-N 3.07Å
147K95.5Very high95Very high150 Ų15064.4 Ų64.465%0.65233%0.331SS*.Hα-helixtrans-65.8-46.3175.6-66174.1-172.4176.10110.2D143 V144 L145 K150D143-K147 WeakPolarHBondContact O-CG 3.25Å; D143-K147 PolarHBondContact O-N 3.32Å; V144-K147 PolarHBondContact O-N 3.01Å; L145-K147 VanDerWaalsContact C-N 3.33Å; L145-K147 PolarHBondContact O-N 2.86Å; K147-K150 PolarHBondContact O-N 2.97Å
148Y95.9Very high95.2Very high35 Ų3562.8 Ų62.814%0.13732%0.32CS..Hα-helixtrans-60.5-51.5-179.1-172.3-111.5000112.4C98 I108 F132 V144 L145 K150 D151 F152C98-Y148 HydrophobicContact CB-CD1 4.05Å; C98-Y148 HydrophobicContact CB-CD2 4.1Å; C98-Y148 HydrophobicContact CB-CE1 4.46Å; C98-Y148 HydrophobicContact CB-CG 3.86Å; C98-Y148 WeakPolarHBondContact O-CE2 3.29Å; I108-Y148 HydrophobicContact CD1-CE1 3.52Å; F132-Y148 HydrophobicContact CE1-CD1 4.08Å; F132-Y148 HydrophobicContact CE1-CE1 4.04Å; F132-Y148 HydrophobicContact CZ-CE1 4.1Å; V144-Y148 PolarHBondContact O-N 2.81Å; L145-Y148 PolarHBondContact O-N 2.91Å; Y148-K150 VanDerWaalsContact C-N 3.3Å; Y148-K150 PolarHBondContact O-N 3.43Å; Y148-D151 PolarHBondContact O-N 3.35Å; Y148-F152 HydrophobicContact CD1-CE2 4.04Å; Y148-F152 HydrophobicContact CD2-CE2 4.09Å; Y148-F152 AromaticContact CE1-CE2 3.71Å; Y148-F152 HydrophobicContact CE1-CE2 3.71Å; Y148-F152 HydrophobicContact CE1-CZ 4.31Å; Y148-F152 AromaticContact CE2-CE2 3.77Å; Y148-F152 HydrophobicContact CE2-CE2 3.77Å; Y148-F152 HydrophobicContact CE2-CZ 4.08Å; Y148-F152 HydrophobicContact CG-CE2 4.23Å; Y148-F152 AromaticContact CZ-CE2 3.56Å; Y148-F152 AromaticContact CZ-CZ 3.8Å; Y148-F152 WeakPolarHBondContact O-CD2 3.45Å; Y148-F152 WeakPolarHBondContact O-CE2 3.41Å
149V95.8Very high95.4Very high4 Ų456.3 Ų56.32%0.02429%0.29CS..Hα-helixtrans-68.5-29.2-177.7-60.30000113.4H76 F132 L145 D151 F152 S153 L156H76-V149 HydrophobicContact CB-CG2 4.36Å; F132-V149 HydrophobicContact CD1-CG1 4.24Å; L145-V149 HydrophobicContact CD1-CG1 4.02Å; L145-V149 HydrophobicContact CG-CG1 4.31Å; L145-V149 WeakPolarHBondContact O-CG1 3.41Å; L145-V149 WeakPolarHBondContact O-CG2 3.33Å; L145-V149 PolarHBondContact O-N 3.36Å; V149-D151 PolarHBondContact O-N 3.16Å; V149-F152 PolarHBondContact O-N 2.91Å; V149-S153 PolarHBondContact O-N 2.9Å; V149-L156 HydrophobicContact CB-CD2 3.87Å; V149-L156 HydrophobicContact CB-CG 4.15Å; V149-L156 HydrophobicContact CG1-CD2 3.93Å; V149-L156 HydrophobicContact CG1-CG 4.21Å
150K94.6Very high95.6Very high168 Ų16855.2 Ų55.273%0.7329%0.286SS*.Hα-helixtrans-63.2-30.2178.9-176.9179.9179.5-175.30112.4A146 K147 Y148 F152A146-K150 WeakPolarHBondContact O-CB 3.44Å; A146-K150 PolarHBondContact O-N 3.07Å; K147-K150 PolarHBondContact O-N 2.97Å; Y148-K150 VanDerWaalsContact C-N 3.3Å; Y148-K150 PolarHBondContact O-N 3.43Å; K150-F152 VanDerWaalsContact C-N 3.28Å; K150-F152 PolarHBondContact O-N 2.87Å
151D94.1Very high95.7Very high137 Ų13755.7 Ų55.773%0.73329%0.291SS*.Hα-helixtrans-72.9-21.6179.8-66.6-19.7000112.6Y148 V149Y148-D151 PolarHBondContact O-N 3.35Å; V149-D151 PolarHBondContact O-N 3.16Å
152F95.4Very high95.7Very high49 Ų4956.2 Ų56.222%0.21529%0.294CS..Hα-helixtrans-93-56.1179.5-63.8-84.6000113.1P105 I108 E109 Y148 V149 K150 L156P105-F152 HydrophobicContact CB-CE1 4.16Å; P105-F152 HydrophobicContact CB-CZ 4.11Å; I108-F152 HydrophobicContact CB-CD1 4.06Å; I108-F152 HydrophobicContact CB-CE1 4.08Å; I108-F152 HydrophobicContact CB-CG 4.39Å; I108-F152 HydrophobicContact CB-CZ 4.44Å; I108-F152 HydrophobicContact CD1-CE2 4.18Å; I108-F152 HydrophobicContact CD1-CZ 4.21Å; I108-F152 HydrophobicContact CG2-CB 3.81Å; I108-F152 HydrophobicContact CG2-CD1 3.52Å; I108-F152 HydrophobicContact CG2-CD2 3.87Å; I108-F152 HydrophobicContact CG2-CE1 4.01Å; I108-F152 HydrophobicContact CG2-CE2 4.34Å; I108-F152 HydrophobicContact CG2-CG 3.44Å; I108-F152 VanDerWaalsContact CG2-CG 3.44Å; I108-F152 HydrophobicContact CG2-CZ 4.4Å; E109-F152 HydrophobicContact CG-CD1 4.08Å; E109-F152 HydrophobicContact CG-CE1 4.21Å; Y148-F152 HydrophobicContact CD1-CE2 4.04Å; Y148-F152 HydrophobicContact CD2-CE2 4.09Å; Y148-F152 AromaticContact CE1-CE2 3.71Å; Y148-F152 HydrophobicContact CE1-CE2 3.71Å; Y148-F152 HydrophobicContact CE1-CZ 4.31Å; Y148-F152 AromaticContact CE2-CE2 3.77Å; Y148-F152 HydrophobicContact CE2-CE2 3.77Å; Y148-F152 HydrophobicContact CE2-CZ 4.08Å; Y148-F152 HydrophobicContact CG-CE2 4.23Å; Y148-F152 AromaticContact CZ-CE2 3.56Å; Y148-F152 AromaticContact CZ-CZ 3.8Å; Y148-F152 WeakPolarHBondContact O-CD2 3.45Å; Y148-F152 WeakPolarHBondContact O-CE2 3.41Å; V149-F152 PolarHBondContact O-N 2.91Å; K150-F152 VanDerWaalsContact C-N 3.28Å; K150-F152 PolarHBondContact O-N 2.87Å; F152-L156 HydrophobicContact CB-CD2 3.93Å; F152-L156 HydrophobicContact CD2-CD2 4.33Å; F152-L156 HydrophobicContact CG-CD2 4.39Å
153S93.6Very high95.7Very high11 Ų1159.1 Ų59.18%0.07730%0.303CS..  trans-165.4139.3-177.8-179.10000112.4V149 R155 L156V149-S153 PolarHBondContact O-N 2.9Å; S153-R155 PolarHBondContact O-N 2.8Å; S153-R155 VanDerWaalsContact O-N 3.11Å; S153-R155 PolarHBondContact OG-N 2.86Å; S153-L156 WeakPolarHBondContact O-CB 3.47Å; S153-L156 PolarHBondContact O-N 3.31Å
154P93.3Very high95.7Very high136 Ų13661.7 Ų61.788%0.88331%0.309SS*.THydrogen-bonded Turntrans-65.6-12.1172.228.9-36000113.6
155R92.2Very high95.7Very high125 Ų12561.5 Ų61.547%0.47230%0.304SS..THydrogen-bonded Turntrans-89-15.4175-65.6-179.7177.7171.3-3.1113D116 P130 S153 T157D116-R155 IonicContact OD1-CZ 3.26Å; D116-R155 IonicContact OD1-NH1 3.11Å; D116-R155 PolarHBondContact OD1-NH1 3.39Å; P130-R155 HydrophobicContact CG-CB 4.32Å; S153-R155 PolarHBondContact O-N 2.8Å; S153-R155 VanDerWaalsContact O-N 3.11Å; S153-R155 PolarHBondContact OG-N 2.86Å; R155-T157 PolarHBondContact O-N 3.1Å
156L97Very high95.7Very high4 Ų461.6 Ų61.62%0.02130%0.304CS..  trans-72.8119.3-177.8-178.163.2000109.9I108 L111 P130 F132 V149 F152 S153I108-L156 HydrophobicContact CG2-CD2 3.45Å; I108-L156 VanDerWaalsContact CG2-CD2 3.45Å; L111-L156 HydrophobicContact CD2-CD1 3.6Å; P130-L156 HydrophobicContact CB-CD1 4.02Å; F132-L156 HydrophobicContact CB-CD1 4.01Å; F132-L156 HydrophobicContact CB-CG 4.45Å; V149-L156 HydrophobicContact CB-CD2 3.87Å; V149-L156 HydrophobicContact CB-CG 4.15Å; V149-L156 HydrophobicContact CG1-CD2 3.93Å; V149-L156 HydrophobicContact CG1-CG 4.21Å; F152-L156 HydrophobicContact CB-CD2 3.93Å; F152-L156 HydrophobicContact CD2-CD2 4.33Å; F152-L156 HydrophobicContact CG-CD2 4.39Å; S153-L156 WeakPolarHBondContact O-CB 3.47Å; S153-L156 PolarHBondContact O-N 3.31Å
157T97.3Very high95.6Very high30 Ų3062.7 Ų62.718%0.18431%0.306CS..EExtended strand (participates in β ladder)trans-92.8107.6174.9-54.90000109.5F86 P130 V131 F132 R155 L159F86-T157 HydrophobicContact CZ-CG2 4.2Å; P130-T157 PolarHBondContact O-N 3.47Å; V131-T157 CarbonylContact C-O 3.5Å; V131-T157 WeakPolarHBondContact CA-O 3.45Å; F132-T157 PolarHBondContact N-O 2.81Å; R155-T157 PolarHBondContact O-N 3.1Å; T157-L159 HydrophobicContact CG2-CD2 3.97Å; T157-L159 HydrophobicContact CG2-CG 4.42Å
158G97.7Very high95.6Very high0 Ų061.8 Ų61.80%030%0.302CS..EExtended strand (participates in β ladder)trans-77.5131.6167.700000111.6D75 H76 F132D75-G158 CarbonylContact C-O 3.59Å; D75-G158 WeakPolarHBondContact CA-O 3.41Å; H76-G158 PolarHBondContact N-O 3.14Å; H76-G158 PolarHBondContact ND1-N 2.97Å; H76-G158 VanDerWaalsContact ND1-N 3.18Å; H76-G158 PolarHBondContact ND1-O 3.46Å; F132-G158 CarbonylContact O-C 3.57Å; F132-G158 WeakPolarHBondContact O-CA 3.41Å
159L98Very high95.6Very high0 Ų060.2 Ų60.20%030%0.297CS..EExtended strand (participates in β ladder)trans-121.7141.5171.8-57.4-178.4000110.8F71 L73 I74 D75 C81 V131 F132 V133 S134 T157F71-L159 HydrophobicContact CD2-CD1 4.31Å; F71-L159 HydrophobicContact CE2-CD1 3.57Å; F71-L159 HydrophobicContact CZ-CD1 4.08Å; L73-L159 HydrophobicContact CB-CB 4.35Å; L73-L159 HydrophobicContact CD1-CB 3.98Å; L73-L159 HydrophobicContact CD1-CD1 4.16Å; I74-L159 CarbonylContact O-C 3.59Å; I74-L159 WeakPolarHBondContact O-CA 3.44Å; D75-L159 HydrophobicContact CB-CD2 4.03Å; C81-L159 HydrophobicContact CB-CD2 3.74Å; V131-L159 HydrophobicContact CG1-CD1 3.54Å; V131-L159 HydrophobicContact CG1-CG 3.85Å; F132-L159 PolarHBondContact O-N 3.49Å; V133-L159 CarbonylContact C-O 3.41Å; V133-L159 WeakPolarHBondContact CA-O 3.38Å; V133-L159 HydrophobicContact CG2-CB 4.22Å; V133-L159 HydrophobicContact CG2-CD1 4.29Å; S134-L159 PolarHBondContact N-O 3.08Å; T157-L159 HydrophobicContact CG2-CD2 3.97Å; T157-L159 HydrophobicContact CG2-CG 4.42Å
160T97.3Very high95.5Very high5 Ų560.3 Ų60.33%0.03130%0.297CS..EExtended strand (participates in β ladder)trans-141.6177.8170.8-172.90000108.8L73 I74 D140 P142 L145L73-T160 WeakPolarHBondContact CB-O 3.39Å; I74-T160 PolarHBondContact N-O 2.81Å; I74-T160 PolarHBondContact O-N 2.97Å; I74-T160 VanDerWaalsContact O-O 3.07Å; D140-T160 PolarHBondContact O-OG1 3.48Å; D140-T160 VanDerWaalsContact O-OG1 3.04Å; P142-T160 HydrophobicContact CG-CG2 3.89Å; L145-T160 HydrophobicContact CD2-CG2 4.06Å
161G95.8Very high95.5Very high10 Ų1060.2 Ų60.210%0.10330%0.297CS..  trans-173.8-173.4179.600000111.9S137S137-G161 WeakPolarHBondContact CB-O 3.41Å
162T95.7Very high95.5Very high74 Ų7456.2 Ų56.245%0.45428%0.275SS..  trans-67.2153.6171.563.40000110.4K164 E165 I166T162-K164 PolarHBondContact O-N 3.26Å; T162-K164 VanDerWaalsContact O-N 3.07Å; T162-E165 WeakPolarHBondContact CB-OE2 3.27Å; T162-E165 WeakPolarHBondContact CG2-OE2 3.39Å; T162-E165 PolarHBondContact N-OE2 3.39Å; T162-E165 WeakPolarHBondContact O-CA 3.45Å; T162-E165 WeakPolarHBondContact O-CB 3.28Å; T162-E165 PolarHBondContact O-N 3.44Å; T162-E165 VanDerWaalsContact OG1-CG 3.28Å; T162-E165 WeakPolarHBondContact OG1-CG 3.49Å; T162-E165 PolarHBondContact OG1-N 3.11Å; T162-E165 PolarHBondContact OG1-OE2 2.88Å; T162-I166 PolarHBondContact O-N 2.92Å
163K95.1Very high95.5Very high99 Ų9953.9 Ų53.943%0.4327%0.265SS..Hα-helixtrans-48.7-40.7175.4177.4164.3174.644.10112.9S137 I166 D167S137-K163 WeakPolarHBondContact OG-CA 3.27Å; S137-K163 PolarHBondContact OG-N 2.96Å; K163-I166 PolarHBondContact O-N 3.47Å; K163-D167 WeakPolarHBondContact CG-OD2 3.42Å; K163-D167 IonicContact NZ-OD1 3.57Å; K163-D167 PolarHBondContact NZ-OD1 3.39Å; K163-D167 VanDerWaalsContact NZ-OD1 3.11Å; K163-D167 IonicContact NZ-OD2 2.63Å; K163-D167 PolarHBondContact NZ-OD2 3.32Å; K163-D167 WeakPolarHBondContact O-CB 3.47Å; K163-D167 PolarHBondContact O-N 3.23Å; K163-D167 VanDerWaalsContact O-OD2 3.14Å
164K96Very high95.4Very high173 Ų17360.7 Ų60.775%0.75229%0.289SS*.Hα-helixtrans-65.1-38.5178.3-176.5179.8178.2-1780112.8T162 K168T162-K164 PolarHBondContact O-N 3.26Å; T162-K164 VanDerWaalsContact O-N 3.07Å; K164-K168 WeakPolarHBondContact O-CB 3.24Å; K164-K168 PolarHBondContact O-N 2.72Å; K164-K168 VanDerWaalsContact O-N 3.13Å
165E96.3Very high95.4Very high54 Ų5454.7 Ų54.725%0.25225%0.249SC..Hα-helixtrans-69.5-46.5176.4-71.4159.9154.300110.4L73 T162 D167 K168 V169L73-E165 HydrophobicContact CD2-CB 3.87Å; T162-E165 WeakPolarHBondContact CB-OE2 3.27Å; T162-E165 WeakPolarHBondContact CG2-OE2 3.39Å; T162-E165 PolarHBondContact N-OE2 3.39Å; T162-E165 WeakPolarHBondContact O-CA 3.45Å; T162-E165 WeakPolarHBondContact O-CB 3.28Å; T162-E165 PolarHBondContact O-N 3.44Å; T162-E165 VanDerWaalsContact OG1-CG 3.28Å; T162-E165 WeakPolarHBondContact OG1-CG 3.49Å; T162-E165 PolarHBondContact OG1-N 3.11Å; T162-E165 PolarHBondContact OG1-OE2 2.88Å; E165-D167 PolarHBondContact O-N 2.82Å; E165-K168 WeakPolarHBondContact O-CB 3.15Å; E165-K168 PolarHBondContact O-N 2.99Å; E165-K168 VanDerWaalsContact O-N 3.13Å; E165-V169 WeakPolarHBondContact O-CG2 3.49Å; E165-V169 PolarHBondContact O-N 2.82Å
166I96.5Very high95.5Very high1 Ų155.6 Ų55.61%0.00525%0.254CS..Hα-helixtrans-59.4-48.6175-59.4-52.9000110.9L73 V133 S134 V135 T162 K163 K168 V169 S170 Y177L73-I166 HydrophobicContact CD2-CD1 3.82Å; V133-I166 HydrophobicContact CG1-CD1 4.2Å; S134-I166 VanDerWaalsContact O-CD1 3.27Å; S134-I166 WeakPolarHBondContact O-CD1 3.34Å; V135-I166 HydrophobicContact CB-CG2 4.15Å; V135-I166 HydrophobicContact CG1-CG2 4.41Å; T162-I166 PolarHBondContact O-N 2.92Å; K163-I166 PolarHBondContact O-N 3.47Å; I166-K168 PolarHBondContact O-N 3.11Å; I166-V169 PolarHBondContact O-N 3.18Å; I166-V169 VanDerWaalsContact O-N 3.13Å; I166-S170 WeakPolarHBondContact O-CB 3.39Å; I166-S170 PolarHBondContact O-N 3.42Å; I166-S170 PolarHBondContact O-OG 2.83Å; I166-S170 VanDerWaalsContact O-OG 3.05Å; I166-Y177 HydrophobicContact CG2-CE1 4.13Å; I166-Y177 HydrophobicContact CG2-CE2 4.33Å; I166-Y177 WeakPolarHBondContact CG2-OH 3.38Å
167D95.4Very high95.4Very high51 Ų5157.1 Ų57.127%0.27326%0.259SS..Hα-helixtrans-56-36.6177-75.6-40.5000111.4K163 E165 K171 Y177K163-D167 WeakPolarHBondContact CG-OD2 3.42Å; K163-D167 IonicContact NZ-OD1 3.57Å; K163-D167 PolarHBondContact NZ-OD1 3.39Å; K163-D167 VanDerWaalsContact NZ-OD1 3.11Å; K163-D167 IonicContact NZ-OD2 2.63Å; K163-D167 PolarHBondContact NZ-OD2 3.32Å; K163-D167 WeakPolarHBondContact O-CB 3.47Å; K163-D167 PolarHBondContact O-N 3.23Å; K163-D167 VanDerWaalsContact O-OD2 3.14Å; E165-D167 PolarHBondContact O-N 2.82Å; D167-K171 WeakPolarHBondContact O-CD 3.26Å; D167-K171 VanDerWaalsContact O-CG 3.26Å; D167-K171 WeakPolarHBondContact O-CG 3.37Å; D167-K171 PolarHBondContact O-N 2.92Å; D167-Y177 PolarHBondContact N-OH 2.75Å; D167-Y177 PolarHBondContact OD1-OH 3.04Å
168K95.6Very high95.2Very high131 Ų13157.6 Ų57.657%0.5726%0.264SS*.Hα-helixtrans-69.6-48.8177.3-177-171.6175.1-168.90111.3K164 E165 I166 K171 L172K164-K168 WeakPolarHBondContact O-CB 3.24Å; K164-K168 PolarHBondContact O-N 2.72Å; K164-K168 VanDerWaalsContact O-N 3.13Å; E165-K168 WeakPolarHBondContact O-CB 3.15Å; E165-K168 PolarHBondContact O-N 2.99Å; E165-K168 VanDerWaalsContact O-N 3.13Å; I166-K168 PolarHBondContact O-N 3.11Å; K168-K171 PolarHBondContact O-N 3.45Å; K168-L172 HydrophobicContact CG-CD1 4.49Å; K168-L172 WeakPolarHBondContact O-CG 3.16Å; K168-L172 PolarHBondContact O-N 3.4Å
169V95.3Very high95Very high3 Ų361 Ų612%0.01829%0.286CS..Hα-helixtrans-64.8-44-179.9-177.40000110.3F71 L73 F95 E165 I166 K171 L172 Y173F71-V169 HydrophobicContact CB-CB 4.46Å; F71-V169 HydrophobicContact CB-CG1 4.18Å; F71-V169 HydrophobicContact CB-CG2 3.39Å; F71-V169 HydrophobicContact CG-CG2 4.5Å; L73-V169 HydrophobicContact CD1-CG2 4.41Å; L73-V169 HydrophobicContact CD2-CG2 4.28Å; L73-V169 HydrophobicContact CG-CG2 4.44Å; F95-V169 HydrophobicContact CE1-CG1 3.71Å; F95-V169 HydrophobicContact CZ-CG1 3.92Å; E165-V169 WeakPolarHBondContact O-CG2 3.49Å; E165-V169 PolarHBondContact O-N 2.82Å; I166-V169 PolarHBondContact O-N 3.18Å; I166-V169 VanDerWaalsContact O-N 3.13Å; V169-K171 PolarHBondContact O-N 3.16Å; V169-L172 WeakPolarHBondContact O-CB 3.4Å; V169-L172 PolarHBondContact O-N 3.08Å; V169-Y173 HydrophobicContact CG1-CD2 3.7Å; V169-Y173 HydrophobicContact CG1-CE2 4Å; V169-Y173 WeakPolarHBondContact O-CD2 3.21Å; V169-Y173 PolarHBondContact O-N 2.82Å
170S94.4Very high94.7Very high5 Ų562.2 Ų62.24%0.03530%0.299CS..Hα-helixtrans-57.2-37.4176.9-64.80000112.2I166 R174 I175 Y177I166-S170 WeakPolarHBondContact O-CB 3.39Å; I166-S170 PolarHBondContact O-N 3.42Å; I166-S170 PolarHBondContact O-OG 2.83Å; I166-S170 VanDerWaalsContact O-OG 3.05Å; S170-R174 CarbonylContact O-C 3.58Å; S170-R174 VanDerWaalsContact O-CA 3.29Å; S170-R174 WeakPolarHBondContact O-CA 3.44Å; S170-R174 PolarHBondContact O-N 2.79Å; S170-I175 PolarHBondContact O-N 3.02Å; S170-Y177 WeakPolarHBondContact OG-CD1 3.37Å; S170-Y177 WeakPolarHBondContact OG-CE1 3.41Å
171K93.9Very high94.4Very high167 Ų16767.9 Ų67.973%0.72634%0.335SS*.Hα-helixtrans-67.2-41.2173.3-73.7169.9-173.9175.80113.3D167 K168 V169 Y173 R174D167-K171 WeakPolarHBondContact O-CD 3.26Å; D167-K171 VanDerWaalsContact O-CG 3.26Å; D167-K171 WeakPolarHBondContact O-CG 3.37Å; D167-K171 PolarHBondContact O-N 2.92Å; K168-K171 PolarHBondContact O-N 3.45Å; V169-K171 PolarHBondContact O-N 3.16Å; K171-Y173 VanDerWaalsContact C-N 3.35Å; K171-R174 PolarHBondContact O-N 2.91Å
172L94Very high94.2Very high53 Ų5374.4 Ų74.428%0.27736%0.361SS..Hα-helixtrans-65.3-38.6179.1-70.2170.6000112G68 D70 K168 V169G68-L172 PolarHBondContact N-O 2.91Å; D70-L172 WeakPolarHBondContact O-CD1 3.18Å; K168-L172 HydrophobicContact CG-CD1 4.49Å; K168-L172 WeakPolarHBondContact O-CG 3.16Å; K168-L172 PolarHBondContact O-N 3.4Å; V169-L172 WeakPolarHBondContact O-CB 3.4Å; V169-L172 PolarHBondContact O-N 3.08Å
173Y94.2Very high94Very high0 Ų074.9 Ų74.90%036%0.361CS..Hα-helixtrans-95.1-1.2-178.9-72.7-96.5000113.6G69 F71 L93 F95 V169 K171 I175 Y197 L199G69-Y173 PolarHBondContact O-OH 2.59Å; G69-Y173 VanDerWaalsContact O-OH 3.11Å; F71-Y173 HydrophobicContact CD1-CE2 4.16Å; L93-Y173 HydrophobicContact CD2-CD1 3.93Å; L93-Y173 HydrophobicContact CD2-CE1 3.57Å; L93-Y173 HydrophobicContact CD2-CE2 4.5Å; F95-Y173 HydrophobicContact CE2-CD1 4.22Å; F95-Y173 HydrophobicContact CE2-CG 4.09Å; F95-Y173 HydrophobicContact CZ-CD1 4.24Å; F95-Y173 HydrophobicContact CZ-CD2 4.06Å; F95-Y173 AromaticContact CZ-CG 3.78Å; F95-Y173 HydrophobicContact CZ-CG 3.78Å; V169-Y173 HydrophobicContact CG1-CD2 3.7Å; V169-Y173 HydrophobicContact CG1-CE2 4Å; V169-Y173 WeakPolarHBondContact O-CD2 3.21Å; V169-Y173 PolarHBondContact O-N 2.82Å; K171-Y173 VanDerWaalsContact C-N 3.35Å; Y173-I175 PolarHBondContact O-N 3.47Å; Y173-Y197 HydrophobicContact CD1-CD1 4.14Å; Y173-Y197 HydrophobicContact CD1-CG 4.2Å; Y173-Y197 PolarHBondContact O-OH 2.84Å; Y173-L199 HydrophobicContact CE1-CD1 4.24Å; Y173-L199 HydrophobicContact CE1-CD2 4.04Å; Y173-L199 WeakPolarHBondContact OH-CD1 3.42Å
174R92.1Very high93.8Very high154 Ų15475.3 Ų75.358%0.58138%0.383SS*.THydrogen-bonded Turntrans57.136.5-176.3-58.8-177.3159.6-120.9-15.3113.3S170 K171 Y176S170-R174 CarbonylContact O-C 3.58Å; S170-R174 VanDerWaalsContact O-CA 3.29Å; S170-R174 WeakPolarHBondContact O-CA 3.44Å; S170-R174 PolarHBondContact O-N 2.79Å; K171-R174 PolarHBondContact O-N 2.91Å; R174-Y176 PolarHBondContact O-N 3.17Å
175I93.7Very high93.5Very high10 Ų1074.4 Ų74.45%0.05139%0.386CS..  trans-79.8117.2173.1-55.3-61.8000107.9F95 V135 S170 Y173 T193 Y197F95-I175 HydrophobicContact CB-CD1 4.27Å; F95-I175 HydrophobicContact CB-CG1 4.29Å; F95-I175 HydrophobicContact CB-CG2 3.94Å; F95-I175 HydrophobicContact CD1-CG1 3.98Å; F95-I175 HydrophobicContact CD1-CG2 4.43Å; F95-I175 HydrophobicContact CD2-CD1 3.36Å; F95-I175 HydrophobicContact CD2-CG1 3.5Å; F95-I175 VanDerWaalsContact CD2-CG1 3.5Å; F95-I175 HydrophobicContact CE1-CG1 4.12Å; F95-I175 HydrophobicContact CE2-CD1 3.75Å; F95-I175 HydrophobicContact CE2-CG1 3.65Å; F95-I175 HydrophobicContact CG-CB 4.46Å; F95-I175 HydrophobicContact CG-CD1 3.87Å; F95-I175 HydrophobicContact CG-CG1 3.66Å; F95-I175 HydrophobicContact CG-CG2 4.14Å; F95-I175 HydrophobicContact CZ-CG1 3.95Å; V135-I175 HydrophobicContact CG1-CG2 4.49Å; S170-I175 PolarHBondContact O-N 3.02Å; Y173-I175 PolarHBondContact O-N 3.47Å; I175-T193 HydrophobicContact CD1-CG2 4.26Å; I175-Y197 HydrophobicContact CD1-CD2 4.43Å; I175-Y197 HydrophobicContact CD1-CE2 3.43Å; I175-Y197 VanDerWaalsContact CD1-CE2 3.43Å; I175-Y197 WeakPolarHBondContact CD1-OH 3.38Å
176Y93.6Very high93.1Very high144 Ų14473.6 Ų73.657%0.56539%0.393SS*.  trans-76.9133.2161.5177.3-99.3000108.7R174 S178 D191 H192 T193R174-Y176 PolarHBondContact O-N 3.17Å; Y176-S178 VanDerWaalsContact OH-CB 3.3Å; Y176-S178 WeakPolarHBondContact OH-CB 3.33Å; Y176-D191 HydrophobicContact CE1-CB 4.17Å; Y176-H192 CarbonylContact O-C 3.57Å; Y176-H192 VanDerWaalsContact O-CA 3.29Å; Y176-H192 WeakPolarHBondContact O-CA 3.41Å; Y176-T193 PolarHBondContact N-OG1 2.94Å; Y176-T193 PolarHBondContact O-N 3.36Å; Y176-T193 PolarHBondContact O-OG1 3.07Å; Y176-T193 VanDerWaalsContact O-OG1 3.13Å
177Y94.6Very high92.8Very high35 Ų3576 Ų7614%0.13741%0.406CS..EExtended strand (participates in β ladder)trans-145.7141.9163.774.6-76.7000111V135 I166 D167 S170 V190 D191V135-Y177 HydrophobicContact CB-CD1 4.45Å; V135-Y177 HydrophobicContact CB-CD2 3.83Å; V135-Y177 HydrophobicContact CB-CE2 4.26Å; V135-Y177 HydrophobicContact CB-CG 3.89Å; V135-Y177 HydrophobicContact CG1-CG 4.32Å; V135-Y177 HydrophobicContact CG2-CD2 4.05Å; V135-Y177 HydrophobicContact CG2-CG 4.17Å; V135-Y177 WeakPolarHBondContact O-CE2 3.31Å; I166-Y177 HydrophobicContact CG2-CE1 4.13Å; I166-Y177 HydrophobicContact CG2-CE2 4.33Å; I166-Y177 WeakPolarHBondContact CG2-OH 3.38Å; D167-Y177 PolarHBondContact N-OH 2.75Å; D167-Y177 PolarHBondContact OD1-OH 3.04Å; S170-Y177 WeakPolarHBondContact OG-CD1 3.37Å; S170-Y177 WeakPolarHBondContact OG-CE1 3.41Å; Y177-V190 HydrophobicContact CD2-CG1 4.36Å; Y177-D191 CarbonylContact C-O 3.46Å; Y177-D191 WeakPolarHBondContact CA-O 3.09Å
178S94.2Very high92.6Very high40 Ų4074.5 Ų74.528%0.2840%0.396SS..EExtended strand (participates in β ladder)trans-149.5124.6178.7-173.70000111Y176 G180 D191Y176-S178 VanDerWaalsContact OH-CB 3.3Å; Y176-S178 WeakPolarHBondContact OH-CB 3.33Å; S178-G180 PolarHBondContact O-N 2.84Å; S178-D191 PolarHBondContact N-O 2.98Å; S178-D191 PolarHBondContact O-N 2.77Å
179P92.6Very high92.5Very high71 Ų7173 Ų7346%0.46139%0.394SS..EExtended strand (participates in β ladder)trans-61.6131.2166.9-2133.5000110.8Y188P179-Y188 HydrophobicContact CB-CD2 3.88Å; P179-Y188 HydrophobicContact CB-CE2 3.93Å; P179-Y188 HydrophobicContact CG-CE2 4.42Å
180G91.4Very high92.4Very high26 Ų2673.1 Ų73.127%0.26839%0.394SS..  trans-77178.6171.300000112.8S178 I189S178-G180 PolarHBondContact O-N 2.84Å; G180-I189 PolarHBondContact N-O 3.41Å
181P91.9Very high92.4Very high124 Ų12477.4 Ų77.481%0.80542%0.417SS*.  trans-61.7147.417428.5-34.5000110.7
182K92.1Very high92.4Very high148 Ų14870.7 Ų70.764%0.64339%0.388SS*.  trans-72.5142174.7-66.8-176.7177.2-170.30110.9D187 Y188K182-D187 CarbonylContact C-O 3.55Å; K182-D187 WeakPolarHBondContact CA-O 3.45Å; K182-Y188 HydrophobicContact CG-CD1 4.3Å
183D91.1Very high92.4Very high84 Ų8469.5 Ų69.545%0.44938%0.383SS..  trans-80.2-173.3172.16622.6000112.2D185 G186 D187D183-D185 PolarHBondContact O-N 3.41Å; D183-D185 WeakPolarHBondContact OD1-CA 3.3Å; D183-D185 PolarHBondContact OD1-N 3.5Å; D183-G186 PolarHBondContact O-N 2.9Å; D183-G186 VanDerWaalsContact O-N 3.13Å; D183-G186 PolarHBondContact OD1-N 3.34Å; D183-D187 PolarHBondContact N-O 3.09Å; D183-D187 PolarHBondContact OD1-N 3.09Å
184A90.5Very high92.4Very high108 Ų10871.3 Ų71.389%0.89339%0.392SS*.THydrogen-bonded Turntrans-64.6-25.4-179.300000113.5G186A184-G186 VanDerWaalsContact C-N 3.32Å
185D89.7Confident92.5Very high153 Ų15366 Ų6682%0.81838%0.375SS*.THydrogen-bonded Turntrans-90.5-1.9178.6-61.9-41000111.8D183 D187D183-D185 PolarHBondContact O-N 3.41Å; D183-D185 WeakPolarHBondContact OD1-CA 3.3Å; D183-D185 PolarHBondContact OD1-N 3.5Å; D185-D187 VanDerWaalsContact C-N 3.33Å
186G88Confident92.6Very high38 Ų3865.7 Ų65.739%0.39237%0.373SS..SBendtrans81.310.5-178.700000114D183 A184D183-G186 PolarHBondContact O-N 2.9Å; D183-G186 VanDerWaalsContact O-N 3.13Å; D183-G186 PolarHBondContact OD1-N 3.34Å; A184-G186 VanDerWaalsContact C-N 3.32Å
187D89.7Confident92.8Very high52 Ų5259.2 Ų59.228%0.27835%0.348SS..  trans-88.3163.4176.2-150.822.4000111.1R99 R139 K182 D183 D185R99-D187 IonicContact NH1-OD1 2.66Å; R99-D187 PolarHBondContact NH1-OD1 3.29Å; R99-D187 IonicContact NH1-OD2 3.78Å; R139-D187 IonicContact CZ-OD1 3.08Å; R139-D187 IonicContact NH1-OD1 3.05Å; R139-D187 PolarHBondContact NH1-OD1 2.65Å; R139-D187 IonicContact NH1-OD2 3.89Å; K182-D187 CarbonylContact C-O 3.55Å; K182-D187 WeakPolarHBondContact CA-O 3.45Å; D183-D187 PolarHBondContact N-O 3.09Å; D183-D187 PolarHBondContact OD1-N 3.09Å; D185-D187 VanDerWaalsContact C-N 3.33Å
188Y92.7Very high92.9Very high18 Ų1857.6 Ų57.67%0.07134%0.341CS..  trans-147.8156.9-178.859.8-91.3000112.9D136 E138 R139 P179 K182 V190D136-Y188 PolarHBondContact OD1-OH 2.56Å; E138-Y188 PolarHBondContact OE2-OH 3.38Å; R139-Y188 HydrophobicContact CG-CE1 4.47Å; R139-Y188 VanDerWaalsContact CZ-O 3.28Å; R139-Y188 VanDerWaalsContact NE-CZ 3.26Å; R139-Y188 PolarHBondContact NE-OH 3.49Å; R139-Y188 PolarHBondContact NH1-O 2.82Å; R139-Y188 VanDerWaalsContact NH2-CD2 3.32Å; R139-Y188 PolarHBondContact NH2-O 3.02Å; P179-Y188 HydrophobicContact CB-CD2 3.88Å; P179-Y188 HydrophobicContact CB-CE2 3.93Å; P179-Y188 HydrophobicContact CG-CE2 4.42Å; K182-Y188 HydrophobicContact CG-CD1 4.3Å; Y188-V190 HydrophobicContact CD2-CG2 3.91Å; Y188-V190 HydrophobicContact CE2-CG2 3.68Å
189I93.1Very high93Very high101 Ų10155.7 Ų55.752%0.51833%0.328SS..  trans-101.2142.2172.9-63.6176.3000108.5F97 G180F97-I189 HydrophobicContact CZ-CG2 4.17Å; G180-I189 PolarHBondContact N-O 3.41Å
190V93.7Very high93.1Very high4 Ų453 Ų532%0.02431%0.31CS..EExtended strand (participates in β ladder)trans-102.6114.2175-174.30000109F97 V135 D136 Y177 Y188 H192F97-V190 HydrophobicContact CD1-CB 3.96Å; F97-V190 HydrophobicContact CD2-CG2 4.47Å; F97-V190 HydrophobicContact CE1-CB 3.97Å; F97-V190 WeakPolarHBondContact CE1-O 3.47Å; F97-V190 HydrophobicContact CG-CB 4.28Å; F97-V190 HydrophobicContact CG-CG2 4.48Å; F97-V190 HydrophobicContact CZ-CB 4.26Å; V135-V190 HydrophobicContact CG2-CG1 3.93Å; D136-V190 HydrophobicContact CB-CG2 4.48Å; Y177-V190 HydrophobicContact CD2-CG1 4.36Å; Y188-V190 HydrophobicContact CD2-CG2 3.91Å; Y188-V190 HydrophobicContact CE2-CG2 3.68Å; V190-H192 PolarHBondContact O-N 2.9Å; V190-H192 PolarHBondContact O-ND1 2.84Å; V190-H192 VanDerWaalsContact O-ND1 3.16Å
191D93.4Very high93.3Very high96 Ų9652.1 Ų52.151%0.51330%0.299SS..EExtended strand (participates in β ladder)trans-65.4128166.1-68.9-32.4000107.5Y176 Y177 S178Y176-D191 HydrophobicContact CE1-CB 4.17Å; Y177-D191 CarbonylContact C-O 3.46Å; Y177-D191 WeakPolarHBondContact CA-O 3.09Å; S178-D191 PolarHBondContact N-O 2.98Å; S178-D191 PolarHBondContact O-N 2.77Å
192H93.7Very high93.4Very high25 Ų2550.3 Ų50.312%0.11628%0.279CS..EExtended strand (participates in β ladder)trans-146163.6-178.766.8-75000111.6Y94 F95 F97 C104 V135 Y176 V190Y94-H192 PolarHBondContact OH-NE2 3.35Å; Y94-H192 VanDerWaalsContact OH-NE2 3.11Å; F95-H192 PolarHBondContact O-CD2 3.44Å; F97-H192 AromaticContact CD1-ND1 3.78Å; F97-H192 AromaticContact CE1-CE1 3.67Å; F97-H192 AromaticContact CE1-ND1 3.45Å; F97-H192 WeakPolarHBondContact CE1-ND1 3.36Å; C104-H192 PolarHBondContact SG-CE1 2.87Å; C104-H192 PolarHBondContact SG-NE2 3.12Å; V135-H192 HydrophobicContact CG2-CB 4.41Å; Y176-H192 CarbonylContact O-C 3.57Å; Y176-H192 VanDerWaalsContact O-CA 3.29Å; Y176-H192 WeakPolarHBondContact O-CA 3.41Å; V190-H192 PolarHBondContact O-N 2.9Å; V190-H192 PolarHBondContact O-ND1 2.84Å; V190-H192 VanDerWaalsContact O-ND1 3.16Å
193T94.2Very high93.4Very high28 Ų2843.9 Ų43.917%0.17225%0.254CS..  trans-77.1129.2179-570000111.4I175 Y176 I195I175-T193 HydrophobicContact CD1-CG2 4.26Å; Y176-T193 PolarHBondContact N-OG1 2.94Å; Y176-T193 PolarHBondContact O-N 3.36Å; Y176-T193 PolarHBondContact O-OG1 3.07Å; Y176-T193 VanDerWaalsContact O-OG1 3.13Å; T193-I195 HydrophobicContact CG2-CB 4.11Å; T193-I195 HydrophobicContact CG2-CD1 3.81Å; T193-I195 HydrophobicContact CG2-CG1 3.85Å; T193-I195 PolarHBondContact O-N 3.42Å
194I93.8Very high93.5Very high39 Ų3945.6 Ų45.620%0.226%0.26CS..  trans-101.666-174.6-46160.4000110.5Y94 I103 Q107 Q211Y94-I194 HydrophobicContact CE2-CG2 4.34Å; I103-I194 HydrophobicContact CD1-CD1 3.97Å; I103-I194 HydrophobicContact CG2-CB 4.42Å; I103-I194 HydrophobicContact CG2-CD1 3.6Å; I103-I194 HydrophobicContact CG2-CG1 3.81Å; I103-I194 HydrophobicContact CG2-CG2 3.67Å; Q107-I194 HydrophobicContact CG-CG2 3.49Å; Q107-I194 VanDerWaalsContact CG-CG2 3.49Å; I194-Q211 HydrophobicContact CB-CG 4.34Å; I194-Q211 HydrophobicContact CG2-CG 3.6Å
195I94.9Very high93.7Very high42 Ų4243.7 Ų43.722%0.21523%0.231CC..EExtended strand (participates in β ladder)trans-135.1136.7-177.2-64.4177.6000110T193 Y197 Y208T193-I195 HydrophobicContact CG2-CB 4.11Å; T193-I195 HydrophobicContact CG2-CD1 3.81Å; T193-I195 HydrophobicContact CG2-CG1 3.85Å; T193-I195 PolarHBondContact O-N 3.42Å; I195-Y197 HydrophobicContact CB-CE2 3.96Å; I195-Y197 HydrophobicContact CG2-CD2 4.15Å; I195-Y197 HydrophobicContact CG2-CE2 3.68Å; I195-Y208 HydrophobicContact CG2-CD2 3.92Å; I195-Y208 HydrophobicContact CG2-CG 4.17Å
196M96.6Very high93.9Very high3 Ų337.7 Ų37.72%0.01520%0.201CC..EExtended strand (participates in β ladder)trans-91.8137.3168.3-55.7177.5-169.500110.1L92 L93 Q107 R110 L111 Y208 Y209L92-M196 HydrophobicContact CD1-CB 4.08Å; L92-M196 HydrophobicContact CD2-SD 4.18Å; L92-M196 HydrophobicContact CG-CB 4.39Å; L93-M196 CarbonylContact O-C 3.59Å; L93-M196 VanDerWaalsContact O-CA 3.3Å; L93-M196 WeakPolarHBondContact O-CA 3.36Å; Q107-M196 HydrophobicContact CB-CE 4.23Å; Q107-M196 WeakPolarHBondContact O-CE 3.4Å; R110-M196 HydrophobicContact CB-CE 3.8Å; L111-M196 HydrophobicContact CB-CE 4.1Å; L111-M196 HydrophobicContact CB-SD 4.21Å; L111-M196 HydrophobicContact CD1-CG 4.14Å; L111-M196 HydrophobicContact CD1-SD 4.1Å; M196-Y208 CarbonylContact O-C 3.58Å; M196-Y208 WeakPolarHBondContact O-CA 3.45Å; M196-Y209 HydrophobicContact CB-CD2 4.48Å; M196-Y209 PolarHBondContact N-O 3.44Å; M196-Y209 PolarHBondContact O-N 2.88Å
197Y96.6Very high94.2Very high9 Ų937.8 Ų37.84%0.03519%0.193CC..EExtended strand (participates in β ladder)trans-111.2132.2176.9-64.9-103.7000109.7I67 L92 L93 F95 Y173 I175 I195 F205I67-Y197 HydrophobicContact CG2-CD1 3.92Å; I67-Y197 HydrophobicContact CG2-CE1 3.72Å; L92-Y197 CarbonylContact C-O 3.56Å; L92-Y197 WeakPolarHBondContact CA-O 3.33Å; L93-Y197 PolarHBondContact N-O 3.37Å; L93-Y197 PolarHBondContact O-N 3.2Å; F95-Y197 HydrophobicContact CD2-CD2 4.42Å; F95-Y197 HydrophobicContact CD2-CE2 4.43Å; F95-Y197 HydrophobicContact CE2-CD2 4.18Å; F95-Y197 HydrophobicContact CE2-CE2 4.38Å; Y173-Y197 HydrophobicContact CD1-CD1 4.14Å; Y173-Y197 HydrophobicContact CD1-CG 4.2Å; Y173-Y197 PolarHBondContact O-OH 2.84Å; I175-Y197 HydrophobicContact CD1-CD2 4.43Å; I175-Y197 HydrophobicContact CD1-CE2 3.43Å; I175-Y197 VanDerWaalsContact CD1-CE2 3.43Å; I175-Y197 WeakPolarHBondContact CD1-OH 3.38Å; I195-Y197 HydrophobicContact CB-CE2 3.96Å; I195-Y197 HydrophobicContact CG2-CD2 4.15Å; I195-Y197 HydrophobicContact CG2-CE2 3.68Å; Y197-F205 AromaticContact CD1-CD2 3.93Å; Y197-F205 HydrophobicContact CD1-CD2 3.93Å; Y197-F205 AromaticContact CD1-CE2 3.69Å; Y197-F205 HydrophobicContact CD1-CE2 3.69Å; Y197-F205 HydrophobicContact CE1-CE2 4.38Å
198L96.9Very high94.5Very high0 Ų041.5 Ų41.50%020%0.204CC..EExtended strand (participates in β ladder)trans-95.2121.6171.3-175.870.1000109.3W90 V91 L92 L128 S206 D207 Y209 I222 K225W90-L198 HydrophobicContact CE3-CD1 3.74Å; W90-L198 HydrophobicContact CE3-CD2 3.9Å; W90-L198 HydrophobicContact CE3-CG 3.73Å; W90-L198 HydrophobicContact CZ3-CD1 4.4Å; W90-L198 HydrophobicContact CZ3-CD2 3.7Å; W90-L198 HydrophobicContact CZ3-CG 3.92Å; V91-L198 CarbonylContact O-C 3.55Å; V91-L198 WeakPolarHBondContact O-CA 3.26Å; L92-L198 HydrophobicContact CD1-CD1 4.4Å; L128-L198 HydrophobicContact CD1-CD1 4Å; L198-S206 WeakPolarHBondContact O-CB 3.22Å; L198-S206 PolarHBondContact O-N 3.18Å; L198-D207 HydrophobicContact CB-CB 4.24Å; L198-D207 HydrophobicContact CD2-CB 4.37Å; L198-D207 PolarHBondContact N-O 3.42Å; L198-D207 PolarHBondContact O-N 3.24Å; L198-Y209 HydrophobicContact CB-CE2 4.04Å; L198-I222 HydrophobicContact CD1-CD1 4.28Å; L198-I222 HydrophobicContact CD1-CG1 4.17Å; L198-I222 HydrophobicContact CD1-CG2 4.46Å; L198-I222 HydrophobicContact CD2-CG1 4.04Å; L198-K225 HydrophobicContact CD2-CB 4.15Å; L198-K225 HydrophobicContact CD2-CG 4.15Å
199L96.3Very high94.7Very high0 Ų040.8 Ų40.80%020%0.201CC..EExtended strand (participates in β ladder)trans-107.5139.9170.2-50.3178.7000110.3L83 W90 V91 Y173 Q204 F205L83-L199 HydrophobicContact CD1-CD1 3.58Å; L83-L199 HydrophobicContact CD2-CD1 4.3Å; W90-L199 WeakPolarHBondContact CA-O 2.97Å; W90-L199 VanDerWaalsContact CE3-O 3.27Å; V91-L199 HydrophobicContact CB-CB 4.06Å; V91-L199 HydrophobicContact CB-CD1 4.32Å; V91-L199 HydrophobicContact CB-CG 4.41Å; V91-L199 PolarHBondContact N-O 3.03Å; V91-L199 PolarHBondContact O-N 3.39Å; Y173-L199 HydrophobicContact CE1-CD1 4.24Å; Y173-L199 HydrophobicContact CE1-CD2 4.04Å; Y173-L199 WeakPolarHBondContact OH-CD1 3.42Å; L199-Q204 CarbonylContact C-O 3.59Å; L199-Q204 VanDerWaalsContact CA-O 3.27Å; L199-Q204 WeakPolarHBondContact CA-O 3.25Å; L199-F205 HydrophobicContact CD2-CB 4.34Å
200D95Very high94.7Very high16 Ų1636.7 Ų36.79%0.08618%0.184CC..  trans-76.6172.1176.679.33.6000112.3W90 K202 G203 Q204 Y229W90-D200 HydrophobicContact CE3-CB 4.31Å; W90-D200 HydrophobicContact CH2-CB 4.02Å; W90-D200 HydrophobicContact CZ3-CB 3.87Å; D200-K202 PolarHBondContact O-N 2.79Å; D200-K202 VanDerWaalsContact OD1-CA 3.28Å; D200-K202 WeakPolarHBondContact OD1-CA 3.37Å; D200-K202 VanDerWaalsContact OD1-CB 3.31Å; D200-K202 WeakPolarHBondContact OD1-CB 3.35Å; D200-K202 PolarHBondContact OD1-N 2.86Å; D200-G203 WeakPolarHBondContact O-CA 3.43Å; D200-G203 PolarHBondContact O-N 2.97Å; D200-G203 PolarHBondContact OD1-N 3.45Å; D200-Q204 PolarHBondContact N-O 2.94Å; D200-Q204 PolarHBondContact OD1-N 3.23Å; D200-Y229 HydrophobicContact CB-CD2 4.15Å; D200-Y229 HydrophobicContact CB-CE2 3.85Å
201P95.3Very high94.6Very high6 Ų640.4 Ų40.44%0.03920%0.201CC..THydrogen-bonded Turntrans-59.7-14.4176.8-27.336.6000116R87 G88 K89 W90 Y126 Y229R87-P201 WeakPolarHBondContact CA-O 3.41Å; G88-P201 PolarHBondContact N-O 2.79Å; K89-P201 WeakPolarHBondContact O-CA 3.37Å; W90-P201 HydrophobicContact CD2-CG 4.43Å; W90-P201 HydrophobicContact CG-CG 4.35Å; Y126-P201 HydrophobicContact CD1-CB 4.45Å; Y126-P201 HydrophobicContact CD1-CG 4.46Å; Y126-P201 HydrophobicContact CD2-CB 4.25Å; Y126-P201 HydrophobicContact CD2-CG 3.59Å; Y126-P201 HydrophobicContact CE2-CG 4.19Å; Y126-P201 HydrophobicContact CG-CB 4.19Å; Y126-P201 HydrophobicContact CG-CG 3.73Å; P201-Y229 HydrophobicContact CB-CE1 4.25Å; P201-Y229 HydrophobicContact CG-CD1 4.36Å; P201-Y229 HydrophobicContact CG-CE1 3.82Å; P201-Y229 HydrophobicContact CG-CE2 4.45Å
202K93.3Very high94.6Very high87 Ų8742.2 Ų42.238%0.37821%0.21SC..THydrogen-bonded Turntrans-89.7-5.5172.7-71165.1-178.2169.30112R87 D200 Q204 Y229 D231R87-K202 PolarHBondContact NE-O 2.86Å; R87-K202 VanDerWaalsContact NE-O 3.14Å; R87-K202 PolarHBondContact NH1-O 3.46Å; R87-K202 PolarHBondContact NH2-O 3.11Å; D200-K202 PolarHBondContact O-N 2.79Å; D200-K202 VanDerWaalsContact OD1-CA 3.28Å; D200-K202 WeakPolarHBondContact OD1-CA 3.37Å; D200-K202 VanDerWaalsContact OD1-CB 3.31Å; D200-K202 WeakPolarHBondContact OD1-CB 3.35Å; D200-K202 PolarHBondContact OD1-N 2.86Å; K202-Q204 HydrophobicContact CB-CG 4.11Å; K202-Y229 WeakPolarHBondContact CE-OH 3.46Å; K202-Y229 WeakPolarHBondContact CG-OH 3.3Å; K202-D231 VanDerWaalsContact CE-OXT 3.32Å; K202-D231 WeakPolarHBondContact CE-OXT 3.43Å; K202-D231 PolarHBondContact NZ-OXT 3.33Å
203G93.2Very high94.6Very high12 Ų1244.6 Ų44.612%0.12422%0.22CC..SBendtrans7821.3-175.200000113.1D200D200-G203 WeakPolarHBondContact O-CA 3.43Å; D200-G203 PolarHBondContact O-N 2.97Å; D200-G203 PolarHBondContact OD1-N 3.45Å
204Q93.2Very high94.7Very high121 Ų12145.6 Ų45.657%0.56523%0.229SC*.  trans-92.6147.3176.6-55.6-172.6-5300110.4L199 D200 K202 S206L199-Q204 CarbonylContact C-O 3.59Å; L199-Q204 VanDerWaalsContact CA-O 3.27Å; L199-Q204 WeakPolarHBondContact CA-O 3.25Å; D200-Q204 PolarHBondContact N-O 2.94Å; D200-Q204 PolarHBondContact OD1-N 3.23Å; K202-Q204 HydrophobicContact CB-CG 4.11Å; Q204-S206 PolarHBondContact O-N 3.06Å
205F94.3Very high94.8Very high67 Ų6744.6 Ų44.629%0.29422%0.224SC..EExtended strand (participates in β ladder)trans-63.6125.9175.1171.8-97000110.9I67 Y197 L199 D207 Y208I67-F205 HydrophobicContact CB-CB 4.48Å; I67-F205 HydrophobicContact CB-CD1 4.2Å; I67-F205 HydrophobicContact CB-CD2 4.24Å; I67-F205 HydrophobicContact CB-CG 4.01Å; I67-F205 HydrophobicContact CG2-CB 4.34Å; I67-F205 HydrophobicContact CG2-CD1 4.38Å; I67-F205 HydrophobicContact CG2-CD2 3.53Å; I67-F205 HydrophobicContact CG2-CE2 3.96Å; I67-F205 HydrophobicContact CG2-CG 3.79Å; I67-F205 WeakPolarHBondContact O-CB 3.4Å; Y197-F205 AromaticContact CD1-CD2 3.93Å; Y197-F205 HydrophobicContact CD1-CD2 3.93Å; Y197-F205 AromaticContact CD1-CE2 3.69Å; Y197-F205 HydrophobicContact CD1-CE2 3.69Å; Y197-F205 HydrophobicContact CE1-CE2 4.38Å; L199-F205 HydrophobicContact CD2-CB 4.34Å; F205-D207 WeakPolarHBondContact CE2-O 3.41Å; F205-D207 VanDerWaalsContact CZ-C 3.4Å; F205-Y208 HydrophobicContact CE2-CD1 4.48Å; F205-Y208 AromaticContact CZ-CD1 3.88Å; F205-Y208 HydrophobicContact CZ-CD1 3.88Å
206S94.1Very high94.8Very high28 Ų2848.5 Ų48.520%0.19624%0.242CC..EExtended strand (participates in β ladder)trans-111.4-42.1-178.81750000113L198 Q204 K225L198-S206 WeakPolarHBondContact O-CB 3.22Å; L198-S206 PolarHBondContact O-N 3.18Å; Q204-S206 PolarHBondContact O-N 3.06Å; S206-K225 PolarHBondContact O-NZ 3.11Å
207D95.4Very high94.8Very high39 Ų3951.2 Ų51.221%0.20925%0.254CS..EExtended strand (participates in β ladder)trans-165.6169-178.2-143.5-24.4000112.1L198 F205 Y209 K225L198-D207 HydrophobicContact CB-CB 4.24Å; L198-D207 HydrophobicContact CD2-CB 4.37Å; L198-D207 PolarHBondContact N-O 3.42Å; L198-D207 PolarHBondContact O-N 3.24Å; F205-D207 WeakPolarHBondContact CE2-O 3.41Å; F205-D207 VanDerWaalsContact CZ-C 3.4Å; D207-Y209 HydrophobicContact CB-CE1 4.3Å; D207-K225 WeakPolarHBondContact OD2-CE 3.15Å; D207-K225 IonicContact OD2-NZ 2.59Å
208Y95.5Very high94.8Very high130 Ų13050.9 Ų50.951%0.5125%0.253SS..EExtended strand (participates in β ladder)trans-136.3152.3171.271.6-95.4000112.3I195 M196 F205I195-Y208 HydrophobicContact CG2-CD2 3.92Å; I195-Y208 HydrophobicContact CG2-CG 4.17Å; M196-Y208 CarbonylContact O-C 3.58Å; M196-Y208 WeakPolarHBondContact O-CA 3.45Å; F205-Y208 HydrophobicContact CE2-CD1 4.48Å; F205-Y208 AromaticContact CZ-CD1 3.88Å; F205-Y208 HydrophobicContact CZ-CD1 3.88Å
209Y96Very high94.8Very high4 Ų451.1 Ų51.12%0.01626%0.255CS..EExtended strand (participates in β ladder)trans-131.8119.6-177.4-48.8-64.7000110.5L92 M196 L198 D207 I218 N221 I222L92-Y209 HydrophobicContact CD1-CD2 4.1Å; L92-Y209 HydrophobicContact CD1-CE2 4.17Å; M196-Y209 HydrophobicContact CB-CD2 4.48Å; M196-Y209 PolarHBondContact N-O 3.44Å; M196-Y209 PolarHBondContact O-N 2.88Å; L198-Y209 HydrophobicContact CB-CE2 4.04Å; D207-Y209 HydrophobicContact CB-CE1 4.3Å; Y209-I218 HydrophobicContact CD1-CG1 4.12Å; Y209-I218 HydrophobicContact CD1-CG2 4.35Å; Y209-I218 HydrophobicContact CD2-CG1 4.5Å; Y209-I218 HydrophobicContact CD2-CG2 3.66Å; Y209-I218 HydrophobicContact CE2-CG2 3.82Å; Y209-I218 HydrophobicContact CG-CB 4.48Å; Y209-I218 HydrophobicContact CG-CD1 4.32Å; Y209-I218 HydrophobicContact CG-CG1 3.93Å; Y209-I218 HydrophobicContact CG-CG2 3.93Å; Y209-N221 HydrophobicContact CE1-CB 3.98Å; Y209-I222 HydrophobicContact CE2-CD1 4.06Å; Y209-I222 HydrophobicContact CE2-CG1 3.87Å; Y209-I222 WeakPolarHBondContact OH-CG1 3.41Å
210G93.5Very high94.8Very high15 Ų1557.2 Ų57.216%0.15528%0.278CS..EExtended strand (participates in β ladder)trans-90.9175.4171.400000112.2N212 K213G210-N212 PolarHBondContact O-N 3.21Å; G210-N212 VanDerWaalsContact O-N 3.09Å; G210-K213 PolarHBondContact O-N 3.04Å; G210-K213 VanDerWaalsContact O-N 3.13Å
211Q91.9Very high94.8Very high81 Ų8158.2 Ų58.238%0.37928%0.283SS..THydrogen-bonded Turntrans-59.4-24.7-177.7-61.4-175.3-75.800114.1R110 I194 K213R110-Q211 PolarHBondContact NH2-O 3.39Å; I194-Q211 HydrophobicContact CB-CG 4.34Å; I194-Q211 HydrophobicContact CG2-CG 3.6Å; Q211-K213 PolarHBondContact O-N 3.12Å
212N93Very high94.8Very high134 Ų13458 Ų5872%0.71728%0.281SS*.THydrogen-bonded Turntrans-69.6-9.6179.267.6-27.5000114.5G210G210-N212 PolarHBondContact O-N 3.21Å; G210-N212 VanDerWaalsContact O-N 3.09Å
213K94.4Very high94.8Very high75 Ų7556.1 Ų56.133%0.32627%0.273SS..SBendtrans-98.5120.3178.4-65.1-60.8-175-179.60111.1R110 G210 Q211 I218R110-K213 PolarHBondContact NH2-O 2.9Å; G210-K213 PolarHBondContact O-N 3.04Å; G210-K213 VanDerWaalsContact O-N 3.13Å; Q211-K213 PolarHBondContact O-N 3.12Å; K213-I218 HydrophobicContact CB-CD1 4.24Å; K213-I218 HydrophobicContact CB-CG1 3.84Å
214S95.6Very high94.9Very high50 Ų5061 Ų6135%0.3529%0.293SS..  trans-62153.417466.10000111.4Q216 E217 I218S214-Q216 PolarHBondContact O-N 3.43Å; S214-Q216 VanDerWaalsContact O-N 3.16Å; S214-E217 WeakPolarHBondContact CB-OE2 3.22Å; S214-E217 PolarHBondContact N-OE2 3.2Å; S214-E217 PolarHBondContact O-N 3.22Å; S214-E217 VanDerWaalsContact OG-CG 3.26Å; S214-E217 WeakPolarHBondContact OG-CG 3.39Å; S214-E217 PolarHBondContact OG-N 2.88Å; S214-E217 PolarHBondContact OG-OE2 2.81Å; S214-I218 WeakPolarHBondContact O-CG1 3.32Å; S214-I218 PolarHBondContact O-N 3.39Å
215V96Very high94.9Very high17 Ų1758.9 Ų58.910%0.10328%0.282CS..Hα-helixtrans-53.8-38.2176.4179.30000111.1R110 E113 V114 E217 I218 V219R110-V215 HydrophobicContact CB-CG2 4.27Å; R110-V215 HydrophobicContact CG-CG2 4.05Å; E113-V215 HydrophobicContact CB-CG1 4.29Å; E113-V215 HydrophobicContact CG-CG1 4.01Å; E113-V215 WeakPolarHBondContact OE1-CG1 3.49Å; V114-V215 HydrophobicContact CG2-CB 4.36Å; V114-V215 HydrophobicContact CG2-CG1 3.59Å; V215-E217 PolarHBondContact O-N 3.41Å; V215-I218 PolarHBondContact O-N 3.41Å; V215-V219 HydrophobicContact CG1-CG2 4.31Å; V215-V219 WeakPolarHBondContact O-CB 3.42Å; V215-V219 VanDerWaalsContact O-CG2 3.25Å; V215-V219 WeakPolarHBondContact O-CG2 3.14Å; V215-V219 PolarHBondContact O-N 3.24Å
216Q95.7Very high94.9Very high124 Ų12456.9 Ų56.958%0.57927%0.274SS*.Hα-helixtrans-63.5-40.9177.8-62.7-172-1.400113S214 R220S214-Q216 PolarHBondContact O-N 3.43Å; S214-Q216 VanDerWaalsContact O-N 3.16Å; Q216-R220 WeakPolarHBondContact O-CB 3.35Å; Q216-R220 PolarHBondContact O-N 3.36Å
217E96.5Very high94.8Very high60 Ų6061.2 Ų61.228%0.2830%0.295SS..Hα-helixtrans-67.7-41.9175.5-70.8167.6113.400111.5S214 V215 R220 N221S214-E217 WeakPolarHBondContact CB-OE2 3.22Å; S214-E217 PolarHBondContact N-OE2 3.2Å; S214-E217 PolarHBondContact O-N 3.22Å; S214-E217 VanDerWaalsContact OG-CG 3.26Å; S214-E217 WeakPolarHBondContact OG-CG 3.39Å; S214-E217 PolarHBondContact OG-N 2.88Å; S214-E217 PolarHBondContact OG-OE2 2.81Å; V215-E217 PolarHBondContact O-N 3.41Å; E217-R220 PolarHBondContact O-N 3.25Å; E217-N221 WeakPolarHBondContact O-CB 3.25Å; E217-N221 PolarHBondContact O-N 3.47Å; E217-N221 PolarHBondContact O-OD1 2.79Å
218I96.9Very high94.6Very high2 Ų262.8 Ų62.81%0.0131%0.313CS..Hα-helixtrans-60.2-49176.7-61.9172.4000110V114 Y209 K213 S214 V215 R220 N221 I222V114-I218 HydrophobicContact CB-CG2 4.42Å; V114-I218 HydrophobicContact CG1-CG2 3.73Å; V114-I218 HydrophobicContact CG2-CB 3.99Å; V114-I218 HydrophobicContact CG2-CD1 4.4Å; V114-I218 HydrophobicContact CG2-CG2 3.75Å; Y209-I218 HydrophobicContact CD1-CG1 4.12Å; Y209-I218 HydrophobicContact CD1-CG2 4.35Å; Y209-I218 HydrophobicContact CD2-CG1 4.5Å; Y209-I218 HydrophobicContact CD2-CG2 3.66Å; Y209-I218 HydrophobicContact CE2-CG2 3.82Å; Y209-I218 HydrophobicContact CG-CB 4.48Å; Y209-I218 HydrophobicContact CG-CD1 4.32Å; Y209-I218 HydrophobicContact CG-CG1 3.93Å; Y209-I218 HydrophobicContact CG-CG2 3.93Å; K213-I218 HydrophobicContact CB-CD1 4.24Å; K213-I218 HydrophobicContact CB-CG1 3.84Å; S214-I218 WeakPolarHBondContact O-CG1 3.32Å; S214-I218 PolarHBondContact O-N 3.39Å; V215-I218 PolarHBondContact O-N 3.41Å; I218-R220 VanDerWaalsContact C-N 3.32Å; I218-R220 PolarHBondContact O-N 3.2Å; I218-N221 PolarHBondContact O-N 3.34Å; I218-I222 HydrophobicContact CG2-CD1 3.68Å; I218-I222 HydrophobicContact CG2-CG1 4.24Å; I218-I222 WeakPolarHBondContact O-CB 3.42Å; I218-I222 VanDerWaalsContact O-CG1 3.31Å; I218-I222 WeakPolarHBondContact O-CG1 3.36Å; I218-I222 PolarHBondContact O-N 3.27Å
219V96.1Very high94.4Very high6 Ų658.8 Ų58.84%0.03630%0.297CS..Hα-helixtrans-58.4-43.3177.4168.70000111.4V114 R117 I118 I121 V215 K223V114-V219 HydrophobicContact CB-CG2 4.37Å; V114-V219 HydrophobicContact CG1-CG2 4.18Å; V114-V219 HydrophobicContact CG2-CG2 4.27Å; R117-V219 HydrophobicContact CB-CG2 4.04Å; I118-V219 HydrophobicContact CD1-CB 4.44Å; I118-V219 HydrophobicContact CD1-CG1 3.85Å; I118-V219 HydrophobicContact CG1-CG1 4.42Å; I121-V219 HydrophobicContact CD1-CG1 4.49Å; V215-V219 HydrophobicContact CG1-CG2 4.31Å; V215-V219 WeakPolarHBondContact O-CB 3.42Å; V215-V219 VanDerWaalsContact O-CG2 3.25Å; V215-V219 WeakPolarHBondContact O-CG2 3.14Å; V215-V219 PolarHBondContact O-N 3.24Å; V219-K223 HydrophobicContact CG1-CD 4.27Å; V219-K223 WeakPolarHBondContact O-CB 3.48Å; V219-K223 VanDerWaalsContact O-CG 3.29Å; V219-K223 WeakPolarHBondContact O-CG 3.35Å; V219-K223 PolarHBondContact O-N 3.15Å
220R95.2Very high93.9Very high127 Ų12767.1 Ų67.148%0.47933%0.334SS..Hα-helixtrans-61.6-48.1176.8-170-169.5-53.51264.3111.5Q216 E217 I218 K223 E224Q216-R220 WeakPolarHBondContact O-CB 3.35Å; Q216-R220 PolarHBondContact O-N 3.36Å; E217-R220 PolarHBondContact O-N 3.25Å; I218-R220 VanDerWaalsContact C-N 3.32Å; I218-R220 PolarHBondContact O-N 3.2Å; R220-K223 WeakPolarHBondContact O-CB 3.36Å; R220-K223 PolarHBondContact O-N 3.45Å; R220-E224 WeakPolarHBondContact O-CG 3.42Å; R220-E224 PolarHBondContact O-N 2.66Å
221N95.7Very high93.2Very high38 Ų3872.1 Ų72.120%0.20336%0.357CS..Hα-helixtrans-63.7-44.6-179.2-67.4-1.8000111.4Y209 E217 I218 K223 E224 K225Y209-N221 HydrophobicContact CE1-CB 3.98Å; E217-N221 WeakPolarHBondContact O-CB 3.25Å; E217-N221 PolarHBondContact O-N 3.47Å; E217-N221 PolarHBondContact O-OD1 2.79Å; I218-N221 PolarHBondContact O-N 3.34Å; N221-K223 VanDerWaalsContact C-N 3.3Å; N221-K223 PolarHBondContact O-N 3.17Å; N221-E224 PolarHBondContact O-N 3.3Å; N221-K225 WeakPolarHBondContact O-CG 3.34Å; N221-K225 PolarHBondContact O-N 2.99Å
222I95.6Very high93.2Very high0 Ų071.7 Ų71.70%036%0.356CS..Hα-helixtrans-60.1-42.7176.6-68.7174.4000110.4L92 V114 I118 L128 L198 Y209 I218 E224 K225 M226L92-I222 HydrophobicContact CD1-CD1 4.35Å; V114-I222 HydrophobicContact CG1-CD1 3.44Å; V114-I222 VanDerWaalsContact CG1-CD1 3.44Å; I118-I222 HydrophobicContact CD1-CB 4.11Å; I118-I222 HydrophobicContact CD1-CG2 3.84Å; I118-I222 HydrophobicContact CG1-CG2 4.15Å; L128-I222 HydrophobicContact CD2-CD1 4.09Å; L128-I222 HydrophobicContact CD2-CG2 4.26Å; L198-I222 HydrophobicContact CD1-CD1 4.28Å; L198-I222 HydrophobicContact CD1-CG1 4.17Å; L198-I222 HydrophobicContact CD1-CG2 4.46Å; L198-I222 HydrophobicContact CD2-CG1 4.04Å; Y209-I222 HydrophobicContact CE2-CD1 4.06Å; Y209-I222 HydrophobicContact CE2-CG1 3.87Å; Y209-I222 WeakPolarHBondContact OH-CG1 3.41Å; I218-I222 HydrophobicContact CG2-CD1 3.68Å; I218-I222 HydrophobicContact CG2-CG1 4.24Å; I218-I222 WeakPolarHBondContact O-CB 3.42Å; I218-I222 VanDerWaalsContact O-CG1 3.31Å; I218-I222 WeakPolarHBondContact O-CG1 3.36Å; I218-I222 PolarHBondContact O-N 3.27Å; I222-E224 VanDerWaalsContact C-N 3.35Å; I222-E224 PolarHBondContact O-N 3.38Å; I222-K225 PolarHBondContact O-N 2.66Å; I222-M226 HydrophobicContact CG2-CG 4.17Å; I222-M226 HydrophobicContact CG2-SD 3.97Å; I222-M226 WeakPolarHBondContact O-CB 3.39Å; I222-M226 VanDerWaalsContact O-CG 3.31Å; I222-M226 WeakPolarHBondContact O-CG 3.38Å; I222-M226 PolarHBondContact O-N 2.63Å
223K93.5Very high93.3Very high48 Ų4868.4 Ų68.421%0.20934%0.337CS..Hα-helixtrans-59-45175.4-78.5173.9145.1-126.90112.4I118 E122 V219 R220 N221 K225 M226 N227I118-K223 HydrophobicContact CD1-CD 4.49Å; I118-K223 HydrophobicContact CD1-CG 3.7Å; E122-K223 HydrophobicContact CG-CG 4.39Å; E122-K223 WeakPolarHBondContact OE1-CE 3.35Å; E122-K223 IonicContact OE1-NZ 3.9Å; E122-K223 PolarHBondContact OE1-NZ 3.13Å; V219-K223 HydrophobicContact CG1-CD 4.27Å; V219-K223 WeakPolarHBondContact O-CB 3.48Å; V219-K223 VanDerWaalsContact O-CG 3.29Å; V219-K223 WeakPolarHBondContact O-CG 3.35Å; V219-K223 PolarHBondContact O-N 3.15Å; R220-K223 WeakPolarHBondContact O-CB 3.36Å; R220-K223 PolarHBondContact O-N 3.45Å; N221-K223 VanDerWaalsContact C-N 3.3Å; N221-K223 PolarHBondContact O-N 3.17Å; K223-K225 VanDerWaalsContact C-N 3.32Å; K223-K225 PolarHBondContact O-N 3.3Å; K223-M226 PolarHBondContact O-N 2.85Å; K223-N227 WeakPolarHBondContact O-CB 3.43Å; K223-N227 VanDerWaalsContact O-CG 3.29Å; K223-N227 PolarHBondContact O-N 3.46Å; K223-N227 PolarHBondContact O-ND2 3.4Å
224E93.9Very high93.2Very high114 Ų11468.1 Ų68.153%0.53334%0.338SS..Hα-helixtrans-60.9-43176.6-70.9171.8-168.200111.2R220 N221 I222 N227 A228R220-E224 WeakPolarHBondContact O-CG 3.42Å; R220-E224 PolarHBondContact O-N 2.66Å; N221-E224 PolarHBondContact O-N 3.3Å; I222-E224 VanDerWaalsContact C-N 3.35Å; I222-E224 PolarHBondContact O-N 3.38Å; E224-N227 PolarHBondContact O-N 3.28Å; E224-A228 VanDerWaalsContact O-CB 3.29Å; E224-A228 WeakPolarHBondContact O-CB 3.18Å; E224-A228 PolarHBondContact O-N 3.04Å
225K94.4Very high93.1Very high77 Ų7769.1 Ų69.134%0.33534%0.337SS..Hα-helixtrans-63-43.8174.6-64-68.1-177.4161.80112.1W90 L198 S206 D207 N221 I222 K223 N227 A228 Y229W90-K225 HydrophobicContact CH2-CB 4.03Å; W90-K225 HydrophobicContact CZ3-CB 4.27Å; L198-K225 HydrophobicContact CD2-CB 4.15Å; L198-K225 HydrophobicContact CD2-CG 4.15Å; S206-K225 PolarHBondContact O-NZ 3.11Å; D207-K225 WeakPolarHBondContact OD2-CE 3.15Å; D207-K225 IonicContact OD2-NZ 2.59Å; N221-K225 WeakPolarHBondContact O-CG 3.34Å; N221-K225 PolarHBondContact O-N 2.99Å; I222-K225 PolarHBondContact O-N 2.66Å; K223-K225 VanDerWaalsContact C-N 3.32Å; K223-K225 PolarHBondContact O-N 3.3Å; K225-N227 PolarHBondContact O-N 3.32Å; K225-A228 PolarHBondContact O-N 2.69Å; K225-Y229 WeakPolarHBondContact O-CB 3.32Å; K225-Y229 PolarHBondContact O-N 3.33Å
226M93.6Very high92.9Very high25 Ų2572.4 Ų72.412%0.12335%0.352CS..Hα-helixtrans-62-41.4177.4-75.2-178.5132.900112.3W90 I118 P124 Y126 L128 I222 K223 Y229W90-M226 HydrophobicContact CB-CE 4.28Å; W90-M226 HydrophobicContact CD2-CE 4.43Å; W90-M226 HydrophobicContact CD2-CG 4.19Å; W90-M226 HydrophobicContact CG-CE 3.76Å; W90-M226 HydrophobicContact CG-CG 4.46Å; W90-M226 HydrophobicContact CZ2-CB 4.46Å; W90-M226 HydrophobicContact CZ2-CG 4.03Å; I118-M226 HydrophobicContact CG2-CE 3.96Å; I118-M226 HydrophobicContact CG2-SD 3.8Å; P124-M226 HydrophobicContact CB-CE 3.8Å; P124-M226 HydrophobicContact CB-SD 4.21Å; P124-M226 HydrophobicContact CG-CE 3.94Å; Y126-M226 WeakPolarHBondContact O-CE 3.34Å; L128-M226 HydrophobicContact CB-CE 4.44Å; I222-M226 HydrophobicContact CG2-CG 4.17Å; I222-M226 HydrophobicContact CG2-SD 3.97Å; I222-M226 WeakPolarHBondContact O-CB 3.39Å; I222-M226 VanDerWaalsContact O-CG 3.31Å; I222-M226 WeakPolarHBondContact O-CG 3.38Å; I222-M226 PolarHBondContact O-N 2.63Å; K223-M226 PolarHBondContact O-N 2.85Å; M226-Y229 PolarHBondContact O-N 3.01Å
227N92Very high92.7Very high120 Ų12068.9 Ų68.964%0.64234%0.336SS*.Hα-helixtrans-73.1-33.6178.8-71.7-24.1000112.9K223 E224 K225 Y229K223-N227 WeakPolarHBondContact O-CB 3.43Å; K223-N227 VanDerWaalsContact O-CG 3.29Å; K223-N227 PolarHBondContact O-N 3.46Å; K223-N227 PolarHBondContact O-ND2 3.4Å; E224-N227 PolarHBondContact O-N 3.28Å; K225-N227 PolarHBondContact O-N 3.32Å; N227-Y229 VanDerWaalsContact C-N 3.33Å
228A91.7Very high92.4Very high72 Ų7269.6 Ų69.660%0.59534%0.34SS*.Hα-helixtrans-78.8-18.1177.100000113.1E224 K225 K230E224-A228 VanDerWaalsContact O-CB 3.29Å; E224-A228 WeakPolarHBondContact O-CB 3.18Å; E224-A228 PolarHBondContact O-N 3.04Å; K225-A228 PolarHBondContact O-N 2.69Å; A228-K230 PolarHBondContact O-N 2.87Å
229Y91.6Very high92.1Very high45 Ų4574.8 Ų74.818%0.17637%0.366CS..  trans-66.7126.7-177.5-179.3-97.2000111.5W90 Y126 D200 P201 K202 K225 M226 N227 D231W90-Y229 HydrophobicContact CH2-CD2 4.16Å; W90-Y229 HydrophobicContact CH2-CG 4.31Å; W90-Y229 HydrophobicContact CZ2-CD1 4.41Å; W90-Y229 AromaticContact CZ2-CD2 3.98Å; W90-Y229 HydrophobicContact CZ2-CD2 3.98Å; W90-Y229 AromaticContact CZ2-CG 3.74Å; W90-Y229 HydrophobicContact CZ2-CG 3.74Å; Y126-Y229 HydrophobicContact CD2-CD1 4.37Å; Y126-Y229 HydrophobicContact CD2-CE1 4.22Å; Y126-Y229 HydrophobicContact CE2-CD1 4.13Å; Y126-Y229 AromaticContact CE2-CE1 3.75Å; Y126-Y229 HydrophobicContact CE2-CE1 3.75Å; D200-Y229 HydrophobicContact CB-CD2 4.15Å; D200-Y229 HydrophobicContact CB-CE2 3.85Å; P201-Y229 HydrophobicContact CB-CE1 4.25Å; P201-Y229 HydrophobicContact CG-CD1 4.36Å; P201-Y229 HydrophobicContact CG-CE1 3.82Å; P201-Y229 HydrophobicContact CG-CE2 4.45Å; K202-Y229 WeakPolarHBondContact CE-OH 3.46Å; K202-Y229 WeakPolarHBondContact CG-OH 3.3Å; K225-Y229 WeakPolarHBondContact O-CB 3.32Å; K225-Y229 PolarHBondContact O-N 3.33Å; M226-Y229 PolarHBondContact O-N 3.01Å; N227-Y229 VanDerWaalsContact C-N 3.33Å; Y229-D231 WeakPolarHBondContact CE1-OD1 3.2Å
230K86.1Confident91.7Very high179 Ų17980.5 Ų80.578%0.77839%0.393SS*.  trans-116132.4176.5-64.2179.1-176.3176.90108.8A228A228-K230 PolarHBondContact O-N 2.87Å
231D77.3Confident91.4Very high121 Ų12176.3 Ų76.365%0.64739%0.386SS*.  trans-61.50176.2-64.3-42.5000112.3K125 Y126 K202 Y229K125-D231 IonicContact NZ-OD2 2.66Å; K125-D231 PolarHBondContact NZ-OD2 3.13Å; Y126-D231 VanDerWaalsContact CE2-OD1 3.24Å; Y126-D231 WeakPolarHBondContact CE2-OD1 3.46Å; Y126-D231 VanDerWaalsContact CZ-OD1 3.27Å; Y126-D231 PolarHBondContact OH-OD1 3Å; Y126-D231 PolarHBondContact OH-OD2 2.93Å; K202-D231 VanDerWaalsContact CE-OXT 3.32Å; K202-D231 WeakPolarHBondContact CE-OXT 3.43Å; K202-D231 PolarHBondContact NZ-OXT 3.33Å; Y229-D231 WeakPolarHBondContact CE1-OD1 3.2Å

Retrieved 231 of 231 residues in 335.8 ms (Link to these results)

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