A0A087X9R3_POEFO Loading...

Nuclear migration protein nudC

Plays a role in neurogenesis and neuronal migration. Necessary for correct formation of mitotic spindles and chromosome separation during mitosis. Necessary for cytokinesis and cell proliferation.

AlphaFold DB , UniProt , Accession A0A087X9R3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 340 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
1M51.9Low76.9Confident194 Ų194123 Ų12396%0.95662%0.623SS**  0136.50-78.9160.5166.400105.9
2G53.7Low78Confident46 Ų46119.6 Ų119.647%0.47461%0.607SS.*  trans-79.6147.3-171.500000110.7E4 E5G2-E4 PolarHBondContact O-N 3.25Å; G2-E5 WeakPolarHBondContact O-CB 3.36Å; G2-E5 PolarHBondContact O-N 3.1Å
3E55.8Low79Confident186 Ų186118.3 Ų118.387%0.86960%0.602SS**THydrogen-bonded Turntrans-51.7-19.7177-66.9176.9164.100113.8
4E70.9Confident79.9Confident174 Ų174115.4 Ų115.481%0.81359%0.593SS**THydrogen-bonded Turntrans-75.5-27.4175.7-67.4-172.3153.100114.2G2G2-E4 PolarHBondContact O-N 3.25Å
5E73.8Confident80.5Confident104 Ų104111.5 Ų111.549%0.48657%0.572SS.*THydrogen-bonded Turntrans-74.5-34.3-175.6-160.3168.7-16500111.2G2G2-E5 WeakPolarHBondContact O-CB 3.36Å; G2-E5 PolarHBondContact O-N 3.1Å
6E87.3Confident81.1Confident113 Ų113106.7 Ų106.753%0.52855%0.554SS.*SBendtrans-93.1-2.8-176.9-61.8174.5-172.200112.9Y8 D9E6-Y8 PolarHBondContact O-N 3.44Å; E6-D9 WeakPolarHBondContact O-CB 3.36Å; E6-D9 PolarHBondContact O-N 3.05Å
7K91.1Very high81.7Confident142 Ų142108.8 Ų108.862%0.61756%0.561SS**THydrogen-bonded Turntrans-54.9-33.9-172.8-179.4-179.4178-1760113.7
8Y89.9Confident82.2Confident131 Ų131111.1 Ų111.151%0.51457%0.568SS.*THydrogen-bonded Turntrans-103.2-0.1-177.3-59.3-65.9000113.4E6 G10 M11 L12E6-Y8 PolarHBondContact O-N 3.44Å; Y8-G10 VanDerWaalsContact C-N 3.34Å; Y8-G10 PolarHBondContact O-N 3.26Å; Y8-M11 HydrophobicContact CD1-CE 4.25Å; Y8-M11 PolarHBondContact O-N 3.15Å; Y8-M11 VanDerWaalsContact O-N 3.11Å; Y8-L12 WeakPolarHBondContact O-CG 3.42Å; Y8-L12 PolarHBondContact O-N 3.03Å
9D90.5Very high82.6Confident82 Ų82106.6 Ų106.644%0.43955%0.545SS..Hα-helixtrans-61.5-42.5-173.4-75.14.9000111.7E6 M11 L12 L13E6-D9 WeakPolarHBondContact O-CB 3.36Å; E6-D9 PolarHBondContact O-N 3.05Å; D9-M11 VanDerWaalsContact C-N 3.3Å; D9-M11 PolarHBondContact O-N 2.87Å; D9-L12 PolarHBondContact O-N 2.89Å; D9-L13 WeakPolarHBondContact O-CB 3.4Å; D9-L13 PolarHBondContact O-N 2.86Å
10G90Very high82.8Confident50 Ų50111.3 Ų111.352%0.51556%0.564SS.*Hα-helixtrans-58.5-40.817700000112.9Y8 V14Y8-G10 VanDerWaalsContact C-N 3.34Å; Y8-G10 PolarHBondContact O-N 3.26Å; G10-V14 VanDerWaalsContact O-CG2 3.29Å; G10-V14 WeakPolarHBondContact O-CG2 3.38Å; G10-V14 PolarHBondContact O-N 2.81Å; G10-V14 VanDerWaalsContact O-N 3.15Å
11M90.6Very high83Confident131 Ų131108.3 Ų108.365%0.64556%0.562SS**Hα-helixtrans-70.4-42177.7-175176.667.800111.6Y8 D9 L13 M15Y8-M11 HydrophobicContact CD1-CE 4.25Å; Y8-M11 PolarHBondContact O-N 3.15Å; Y8-M11 VanDerWaalsContact O-N 3.11Å; D9-M11 VanDerWaalsContact C-N 3.3Å; D9-M11 PolarHBondContact O-N 2.87Å; M11-L13 VanDerWaalsContact C-N 3.34Å; M11-M15 WeakPolarHBondContact O-CB 3.48Å; M11-M15 PolarHBondContact O-N 3.34Å; M11-M15 VanDerWaalsContact O-N 3.09Å
12L90.6Very high84.8Confident82 Ų82100.8 Ų100.843%0.42953%0.533SS..Hα-helixtrans-67.5-35.4178.4-69172.4000111.9Y8 D9 M15 A16Y8-L12 WeakPolarHBondContact O-CG 3.42Å; Y8-L12 PolarHBondContact O-N 3.03Å; D9-L12 PolarHBondContact O-N 2.89Å; L12-M15 PolarHBondContact O-N 2.83Å; L12-A16 WeakPolarHBondContact O-CB 3.06Å; L12-A16 PolarHBondContact O-N 2.95Å
13L90.4Very high86.5Confident103 Ų103103.9 Ų103.954%0.53954%0.543SS..Hα-helixtrans-69.6-45178.7-169.570.3000111.4D9 M11 M15 A16 Q17D9-L13 WeakPolarHBondContact O-CB 3.4Å; D9-L13 PolarHBondContact O-N 2.86Å; M11-L13 VanDerWaalsContact C-N 3.34Å; L13-M15 PolarHBondContact O-N 3.39Å; L13-A16 PolarHBondContact O-N 3Å; L13-A16 VanDerWaalsContact O-N 3.16Å; L13-Q17 WeakPolarHBondContact O-CG 3.34Å; L13-Q17 PolarHBondContact O-N 2.81Å
14V91.4Very high88.1Confident78 Ų78102.3 Ų102.347%0.47354%0.536SS..Hα-helixtrans-58.4-42.7173.2170.50000110.3G10 Q18G10-V14 VanDerWaalsContact O-CG2 3.29Å; G10-V14 WeakPolarHBondContact O-CG2 3.38Å; G10-V14 PolarHBondContact O-N 2.81Å; G10-V14 VanDerWaalsContact O-N 3.15Å; V14-Q18 WeakPolarHBondContact O-CG 3.37Å; V14-Q18 PolarHBondContact O-N 2.8Å
15M89.4Confident89.2Confident56 Ų5698.1 Ų98.128%0.27652%0.516SS..Hα-helixtrans-62.5-47.6175.4-168.8178173.300110.8M11 L12 L13 Q17 Q18 H19 L26 T29M11-M15 WeakPolarHBondContact O-CB 3.48Å; M11-M15 PolarHBondContact O-N 3.34Å; M11-M15 VanDerWaalsContact O-N 3.09Å; L12-M15 PolarHBondContact O-N 2.83Å; L13-M15 PolarHBondContact O-N 3.39Å; M15-Q17 PolarHBondContact O-N 3.13Å; M15-Q18 PolarHBondContact O-N 3.41Å; M15-H19 PolarHBondContact O-CE1 2.87Å; M15-H19 PolarHBondContact O-ND1 2.81Å; M15-L26 HydrophobicContact CB-CD1 4.19Å; M15-L26 HydrophobicContact CE-CD1 3.95Å; M15-L26 HydrophobicContact CG-CD1 3.6Å; M15-L26 HydrophobicContact SD-CD1 3.9Å; M15-T29 HydrophobicContact CE-CG2 3.31Å
16A90.3Very high90.1Very high35 Ų3595 Ų9529%0.28950%0.502SS..Hα-helixtrans-59.9-41.5179.400000113L12 L13 Q18 H19 L26L12-A16 WeakPolarHBondContact O-CB 3.06Å; L12-A16 PolarHBondContact O-N 2.95Å; L13-A16 PolarHBondContact O-N 3Å; L13-A16 VanDerWaalsContact O-N 3.16Å; A16-Q18 PolarHBondContact O-N 2.91Å; A16-H19 PolarHBondContact O-N 3.04Å; A16-H19 VanDerWaalsContact O-N 3.15Å; A16-L26 HydrophobicContact CB-CD2 3.79Å
17Q90.9Very high90.4Very high143 Ų14392.7 Ų92.767%0.66850%0.496SS*.Hα-helixtrans-63.6-27.7178.7-74.6174.6-12.700113.3L13 M15 H19L13-Q17 WeakPolarHBondContact O-CG 3.34Å; L13-Q17 PolarHBondContact O-N 2.81Å; M15-Q17 PolarHBondContact O-N 3.13Å; Q17-H19 VanDerWaalsContact C-N 3.31Å
18Q91.1Very high90.6Very high150 Ų15090.6 Ų90.670%0.70149%0.492SS*.THydrogen-bonded Turntrans-81.5-8.5178-69.7179.8-0.700113.7V14 M15 A16V14-Q18 WeakPolarHBondContact O-CG 3.37Å; V14-Q18 PolarHBondContact O-N 2.8Å; M15-Q18 PolarHBondContact O-N 3.41Å; A16-Q18 PolarHBondContact O-N 2.91Å
19H90.6Very high90.8Very high25 Ų2586.6 Ų86.612%0.11648%0.481CS..  trans-98.398.9178.7-69.378.1000110M15 A16 Q17 G21 G22 E25 T29M15-H19 PolarHBondContact O-CE1 2.87Å; M15-H19 PolarHBondContact O-ND1 2.81Å; A16-H19 PolarHBondContact O-N 3.04Å; A16-H19 VanDerWaalsContact O-N 3.15Å; Q17-H19 VanDerWaalsContact C-N 3.31Å; H19-G21 PolarHBondContact O-N 2.78Å; H19-G22 PolarHBondContact O-N 2.73Å; H19-E25 HydrophobicContact CB-CB 4.22Å; H19-T29 PolarHBondContact CD2-OG1 3.14Å; H19-T29 VanDerWaalsContact NE2-CB 3.31Å; H19-T29 WeakPolarHBondContact NE2-CB 3.42Å; H19-T29 PolarHBondContact NE2-OG1 2.91Å
20E85.5Confident91Very high200 Ų20087.7 Ų87.794%0.93548%0.482SS*.THydrogen-bonded Turntrans-64-26.4178-64.5-177.4178.300112.3G22E20-G22 PolarHBondContact O-N 3.04Å
21G86.8Confident91.3Very high50 Ų5088.3 Ų88.352%0.51547%0.47SS..THydrogen-bonded Turntrans-78.57.3173.400000114.6H19 E25H19-G21 PolarHBondContact O-N 2.78Å; G21-E25 VanDerWaalsContact CA-OE2 3.29Å; G21-E25 WeakPolarHBondContact CA-OE2 3.29Å; G21-E25 PolarHBondContact N-OE2 3.1Å
22G90.4Very high91.5Very high35 Ų3583.8 Ų83.836%0.36145%0.452SS..Hα-helixtrans66.9-152.2175.500000114.1H19 E20 Q24 E25 L26H19-G22 PolarHBondContact O-N 2.73Å; E20-G22 PolarHBondContact O-N 3.04Å; G22-Q24 VanDerWaalsContact C-N 3.28Å; G22-Q24 PolarHBondContact O-N 2.8Å; G22-E25 PolarHBondContact O-N 2.89Å; G22-E25 VanDerWaalsContact O-N 3.16Å; G22-L26 PolarHBondContact O-N 3.25Å; G22-L26 VanDerWaalsContact O-N 3.16Å
23V88.9Confident91.8Very high111 Ų11184.8 Ų84.867%0.67345%0.453SS*.Hα-helixtrans-61.2-34.7-170.9179.70000112.6E25 L26 V27V23-E25 VanDerWaalsContact C-N 3.32Å; V23-E25 PolarHBondContact O-N 2.83Å; V23-L26 PolarHBondContact O-N 2.79Å; V23-V27 HydrophobicContact CG1-CG2 4.13Å; V23-V27 WeakPolarHBondContact O-CB 3.48Å; V23-V27 VanDerWaalsContact O-CG2 3.25Å; V23-V27 WeakPolarHBondContact O-CG2 3.4Å; V23-V27 PolarHBondContact O-N 3.07Å
24Q90.1Very high92Very high154 Ų15480.9 Ų80.972%0.7243%0.433SS*.Hα-helixtrans-63.4-40.7179.8-175.2176.2-4.800111.7G22 N28G22-Q24 VanDerWaalsContact C-N 3.28Å; G22-Q24 PolarHBondContact O-N 2.8Å; Q24-N28 PolarHBondContact O-N 2.52Å; Q24-N28 VanDerWaalsContact O-N 3.12Å; Q24-N28 PolarHBondContact O-ND2 2.85Å
25E92.8Very high92.2Very high85 Ų8585.1 Ų85.140%0.39744%0.44SS..Hα-helixtrans-70.4-42.7177.9-157.5-167.917200111.1H19 G21 G22 V23 V27 N28 T29H19-E25 HydrophobicContact CB-CB 4.22Å; G21-E25 VanDerWaalsContact CA-OE2 3.29Å; G21-E25 WeakPolarHBondContact CA-OE2 3.29Å; G21-E25 PolarHBondContact N-OE2 3.1Å; G22-E25 PolarHBondContact O-N 2.89Å; G22-E25 VanDerWaalsContact O-N 3.16Å; V23-E25 VanDerWaalsContact C-N 3.32Å; V23-E25 PolarHBondContact O-N 2.83Å; E25-V27 PolarHBondContact O-N 3.07Å; E25-N28 WeakPolarHBondContact O-CB 3.35Å; E25-N28 PolarHBondContact O-N 2.94Å; E25-T29 PolarHBondContact O-N 2.67Å; E25-T29 PolarHBondContact O-OG1 3.09Å; E25-T29 VanDerWaalsContact O-OG1 3.13Å
26L93.6Very high92.5Very high38 Ų3889.3 Ų89.320%0.19945%0.453CS..Hα-helixtrans-56.4-47.9175.417965000112.1M15 A16 G22 V23 N28 T29 F30M15-L26 HydrophobicContact CB-CD1 4.19Å; M15-L26 HydrophobicContact CE-CD1 3.95Å; M15-L26 HydrophobicContact CG-CD1 3.6Å; M15-L26 HydrophobicContact SD-CD1 3.9Å; A16-L26 HydrophobicContact CB-CD2 3.79Å; G22-L26 PolarHBondContact O-N 3.25Å; G22-L26 VanDerWaalsContact O-N 3.16Å; V23-L26 PolarHBondContact O-N 2.79Å; L26-N28 VanDerWaalsContact C-N 3.34Å; L26-N28 PolarHBondContact O-N 2.73Å; L26-T29 PolarHBondContact O-N 3.27Å; L26-F30 PolarHBondContact O-N 2.79Å
27V94.2Very high92.9Very high65 Ų6595 Ų9539%0.39447%0.471SS..Hα-helixtrans-61.8-43.2177.8171.10000110.7V23 E25 T29 F30 F31V23-V27 HydrophobicContact CG1-CG2 4.13Å; V23-V27 WeakPolarHBondContact O-CB 3.48Å; V23-V27 VanDerWaalsContact O-CG2 3.25Å; V23-V27 WeakPolarHBondContact O-CG2 3.4Å; V23-V27 PolarHBondContact O-N 3.07Å; E25-V27 PolarHBondContact O-N 3.07Å; V27-T29 PolarHBondContact O-N 3.05Å; V27-F30 PolarHBondContact O-N 2.78Å; V27-F31 HydrophobicContact CG1-CD2 3.71Å; V27-F31 HydrophobicContact CG1-CE2 3.54Å; V27-F31 VanDerWaalsContact O-CD2 3.28Å; V27-F31 WeakPolarHBondContact O-CD2 3.34Å; V27-F31 PolarHBondContact O-N 2.88Å
28N94.3Very high93Very high99 Ų9990.9 Ų90.953%0.52946%0.456SS..Hα-helixtrans-61.5-43.5175.4-82.3-27.5000111.9Q24 E25 L26 F30 F31 S32Q24-N28 PolarHBondContact O-N 2.52Å; Q24-N28 VanDerWaalsContact O-N 3.12Å; Q24-N28 PolarHBondContact O-ND2 2.85Å; E25-N28 WeakPolarHBondContact O-CB 3.35Å; E25-N28 PolarHBondContact O-N 2.94Å; L26-N28 VanDerWaalsContact C-N 3.34Å; L26-N28 PolarHBondContact O-N 2.73Å; N28-F30 VanDerWaalsContact C-N 3.29Å; N28-F30 PolarHBondContact O-N 3.03Å; N28-F31 PolarHBondContact O-N 3.36Å; N28-S32 WeakPolarHBondContact O-CB 3.38Å; N28-S32 PolarHBondContact O-N 3.47Å
29T94.8Very high93.1Very high47 Ų4789.3 Ų89.329%0.28845%0.452SS..Hα-helixtrans-61.1-40.1177.1-62.30000111.4M15 H19 E25 L26 V27 S32 F33M15-T29 HydrophobicContact CE-CG2 3.31Å; H19-T29 PolarHBondContact CD2-OG1 3.14Å; H19-T29 VanDerWaalsContact NE2-CB 3.31Å; H19-T29 WeakPolarHBondContact NE2-CB 3.42Å; H19-T29 PolarHBondContact NE2-OG1 2.91Å; E25-T29 PolarHBondContact O-N 2.67Å; E25-T29 PolarHBondContact O-OG1 3.09Å; E25-T29 VanDerWaalsContact O-OG1 3.13Å; L26-T29 PolarHBondContact O-N 3.27Å; V27-T29 PolarHBondContact O-N 3.05Å; T29-S32 WeakPolarHBondContact O-CB 3.31Å; T29-S32 PolarHBondContact O-N 2.98Å; T29-F33 PolarHBondContact O-N 2.84Å
30F94.8Very high93.3Very high105 Ų10590.3 Ų90.346%0.46146%0.456SS..Hα-helixtrans-62.6-50.6176.2-170.7-102.1000112.3L26 V27 N28 S32 F33 L34L26-F30 PolarHBondContact O-N 2.79Å; V27-F30 PolarHBondContact O-N 2.78Å; N28-F30 VanDerWaalsContact C-N 3.29Å; N28-F30 PolarHBondContact O-N 3.03Å; F30-S32 VanDerWaalsContact C-N 3.27Å; F30-S32 PolarHBondContact O-N 2.97Å; F30-F33 WeakPolarHBondContact O-CB 3.24Å; F30-F33 PolarHBondContact O-N 2.83Å; F30-F33 VanDerWaalsContact O-N 3.16Å; F30-L34 HydrophobicContact CD1-CD1 3.92Å; F30-L34 HydrophobicContact CD1-CG 4.37Å; F30-L34 HydrophobicContact CE1-CD1 3.57Å; F30-L34 HydrophobicContact CE1-CG 4.14Å; F30-L34 HydrophobicContact CZ-CD1 4.3Å; F30-L34 WeakPolarHBondContact O-CG 3.3Å; F30-L34 PolarHBondContact O-N 2.64Å
31F95.3Very high93.6Very high62 Ų6285.8 Ų85.827%0.27243%0.434SS..Hα-helixtrans-64.5-33.7175.9-76.1-62.3000112.7V27 N28 F33 L34 R35 F40 F41 V53V27-F31 HydrophobicContact CG1-CD2 3.71Å; V27-F31 HydrophobicContact CG1-CE2 3.54Å; V27-F31 VanDerWaalsContact O-CD2 3.28Å; V27-F31 WeakPolarHBondContact O-CD2 3.34Å; V27-F31 PolarHBondContact O-N 2.88Å; N28-F31 PolarHBondContact O-N 3.36Å; F31-F33 VanDerWaalsContact C-N 3.34Å; F31-L34 HydrophobicContact CD1-CD1 4.19Å; F31-L34 PolarHBondContact O-N 2.95Å; F31-R35 WeakPolarHBondContact O-CB 3.35Å; F31-R35 PolarHBondContact O-N 3.14Å; F31-F40 HydrophobicContact CD1-CE1 4.35Å; F31-F40 HydrophobicContact CE1-CE1 4.16Å; F31-F41 HydrophobicContact CB-CZ 4.41Å; F31-F41 AromaticContact CD1-CZ 3.87Å; F31-F41 HydrophobicContact CD1-CZ 3.87Å; F31-V53 HydrophobicContact CE1-CG2 3.81Å; F31-V53 HydrophobicContact CZ-CG1 4.09Å; F31-V53 HydrophobicContact CZ-CG2 3.87Å
32S95.8Very high93.8Very high37 Ų3791 Ų9126%0.25945%0.448SS..Hα-helixtrans-64-39.5175-164.10000111.3N28 T29 F30 R36N28-S32 WeakPolarHBondContact O-CB 3.38Å; N28-S32 PolarHBondContact O-N 3.47Å; T29-S32 WeakPolarHBondContact O-CB 3.31Å; T29-S32 PolarHBondContact O-N 2.98Å; F30-S32 VanDerWaalsContact C-N 3.27Å; F30-S32 PolarHBondContact O-N 2.97Å; S32-R36 WeakPolarHBondContact O-CG 3.41Å; S32-R36 PolarHBondContact O-N 2.9Å; S32-R36 PolarHBondContact O-NH1 3.16Å; S32-R36 PolarHBondContact OG-NH1 2.94Å
33F96.2Very high93.6Very high102 Ų10291.9 Ų91.945%0.44746%0.458SS..Hα-helixtrans-63.6-51.8171167.4-94.7000111.6T29 F30 F31 R35 R36 K37 T38T29-F33 PolarHBondContact O-N 2.84Å; F30-F33 WeakPolarHBondContact O-CB 3.24Å; F30-F33 PolarHBondContact O-N 2.83Å; F30-F33 VanDerWaalsContact O-N 3.16Å; F31-F33 VanDerWaalsContact C-N 3.34Å; F33-R35 VanDerWaalsContact C-N 3.28Å; F33-R35 PolarHBondContact O-N 3.1Å; F33-R36 PolarHBondContact O-N 3.06Å; F33-K37 HydrophobicContact CD2-CB 4.09Å; F33-K37 HydrophobicContact CD2-CG 3.87Å; F33-K37 HydrophobicContact CE2-CB 3.74Å; F33-K37 HydrophobicContact CE2-CG 3.72Å; F33-K37 HydrophobicContact CZ-CB 3.97Å; F33-K37 HydrophobicContact CZ-CG 4.45Å; F33-K37 WeakPolarHBondContact O-CB 3.48Å; F33-K37 PolarHBondContact O-N 3.41Å; F33-T38 HydrophobicContact CE1-CG2 4.43Å
34L95.4Very high93.5Very high22 Ų2289.1 Ų89.112%0.11545%0.451CS..Hα-helixtrans-55.3-45179.5-69.7179.8000111.2F30 F31 R36 T38 F40 F41F30-L34 HydrophobicContact CD1-CD1 3.92Å; F30-L34 HydrophobicContact CD1-CG 4.37Å; F30-L34 HydrophobicContact CE1-CD1 3.57Å; F30-L34 HydrophobicContact CE1-CG 4.14Å; F30-L34 HydrophobicContact CZ-CD1 4.3Å; F30-L34 WeakPolarHBondContact O-CG 3.3Å; F30-L34 PolarHBondContact O-N 2.64Å; F31-L34 HydrophobicContact CD1-CD1 4.19Å; F31-L34 PolarHBondContact O-N 2.95Å; L34-R36 VanDerWaalsContact C-N 3.28Å; L34-R36 PolarHBondContact O-N 2.93Å; L34-T38 WeakPolarHBondContact CA-OG1 3.26Å; L34-T38 HydrophobicContact CD2-CG2 3.91Å; L34-T38 WeakPolarHBondContact O-CB 3.19Å; L34-T38 PolarHBondContact O-N 2.85Å; L34-T38 PolarHBondContact O-OG1 3.32Å; L34-F40 HydrophobicContact CB-CB 4.13Å; L34-F40 HydrophobicContact CB-CD1 4.24Å; L34-F40 HydrophobicContact CB-CG 4.28Å; L34-F40 HydrophobicContact CD1-CD1 4.01Å; L34-F40 HydrophobicContact CD1-CD2 4.28Å; L34-F40 HydrophobicContact CD1-CE1 4.16Å; L34-F40 HydrophobicContact CD1-CE2 4.43Å; L34-F40 HydrophobicContact CD1-CG 4.06Å; L34-F40 HydrophobicContact CD1-CZ 4.38Å; L34-F41 HydrophobicContact CB-CE2 4.26Å
35R95.1Very high93.5Very high166 Ų16688.7 Ų88.763%0.62645%0.454SS*.Hα-helixtrans-58.7-36.3176.9-169.6-165.670.3-164.20.4113.5F31 F33 F41F31-R35 WeakPolarHBondContact O-CB 3.35Å; F31-R35 PolarHBondContact O-N 3.14Å; F33-R35 VanDerWaalsContact C-N 3.28Å; F33-R35 PolarHBondContact O-N 3.1Å; R35-F41 HydrophobicContact CB-CD2 3.91Å; R35-F41 HydrophobicContact CB-CE2 3.74Å; R35-F41 HydrophobicContact CG-CD2 4.22Å; R35-F41 HydrophobicContact CG-CE2 4.41Å
36R96.2Very high93.3Very high144 Ų14494.5 Ų94.554%0.54348%0.481SS..Hα-helixtrans-90.7-30-174.1-72.7-166.7-57.2-81.31.4114S32 F33 L34S32-R36 WeakPolarHBondContact O-CG 3.41Å; S32-R36 PolarHBondContact O-N 2.9Å; S32-R36 PolarHBondContact O-NH1 3.16Å; S32-R36 PolarHBondContact OG-NH1 2.94Å; F33-R36 PolarHBondContact O-N 3.06Å; L34-R36 VanDerWaalsContact C-N 3.28Å; L34-R36 PolarHBondContact O-N 2.93Å
37K96.9Very high93.1Very high154 Ų15494.8 Ų94.867%0.6749%0.493SS*.Hα-helixtrans-119.2-4.5-165.9-64.7-61.2-172178.20113.6F33F33-K37 HydrophobicContact CD2-CB 4.09Å; F33-K37 HydrophobicContact CD2-CG 3.87Å; F33-K37 HydrophobicContact CE2-CB 3.74Å; F33-K37 HydrophobicContact CE2-CG 3.72Å; F33-K37 HydrophobicContact CZ-CB 3.97Å; F33-K37 HydrophobicContact CZ-CG 4.45Å; F33-K37 WeakPolarHBondContact O-CB 3.48Å; F33-K37 PolarHBondContact O-N 3.41Å
38T94.6Very high93Very high57 Ų5793.7 Ų93.735%0.3549%0.49SS..SBendtrans-135.8167.4179.775.10000110.1F33 L34 F40F33-T38 HydrophobicContact CE1-CG2 4.43Å; L34-T38 WeakPolarHBondContact CA-OG1 3.26Å; L34-T38 HydrophobicContact CD2-CG2 3.91Å; L34-T38 WeakPolarHBondContact O-CB 3.19Å; L34-T38 PolarHBondContact O-N 2.85Å; L34-T38 PolarHBondContact O-OG1 3.32Å; T38-F40 WeakPolarHBondContact OG1-CB 3.41Å; T38-F40 PolarHBondContact OG1-N 2.85Å
39D93.3Very high92.8Very high118 Ų11890 Ų9063%0.63147%0.474SS*.SBendtrans-86.310.4170.961.2-18.5000112.7F41 I42 G43D39-F41 PolarHBondContact O-N 2.94Å; D39-I42 PolarHBondContact O-N 3.39Å; D39-G43 WeakPolarHBondContact O-CA 3.07Å; D39-G43 PolarHBondContact O-N 3.28Å
40F93.7Very high92.8Very high45 Ų4593.1 Ų93.120%0.19749%0.485CS..THydrogen-bonded Turntrans-45.7-40.1-171.8-179.6-102.4000115.7F31 L34 T38 A49 L52 V53F31-F40 HydrophobicContact CD1-CE1 4.35Å; F31-F40 HydrophobicContact CE1-CE1 4.16Å; L34-F40 HydrophobicContact CB-CB 4.13Å; L34-F40 HydrophobicContact CB-CD1 4.24Å; L34-F40 HydrophobicContact CB-CG 4.28Å; L34-F40 HydrophobicContact CD1-CD1 4.01Å; L34-F40 HydrophobicContact CD1-CD2 4.28Å; L34-F40 HydrophobicContact CD1-CE1 4.16Å; L34-F40 HydrophobicContact CD1-CE2 4.43Å; L34-F40 HydrophobicContact CD1-CG 4.06Å; L34-F40 HydrophobicContact CD1-CZ 4.38Å; T38-F40 WeakPolarHBondContact OG1-CB 3.41Å; T38-F40 PolarHBondContact OG1-N 2.85Å; F40-A49 HydrophobicContact CD1-CB 4.18Å; F40-A49 HydrophobicContact CE1-CB 3.73Å; F40-A49 HydrophobicContact CE2-CB 4.4Å; F40-A49 HydrophobicContact CZ-CB 3.85Å; F40-A49 WeakPolarHBondContact O-CB 3.27Å; F40-L52 HydrophobicContact CE2-CD2 3.87Å; F40-V53 HydrophobicContact CZ-CG2 3.87Å
41F91.9Very high92.7Very high106 Ų10694.6 Ų94.647%0.46549%0.491SS..THydrogen-bonded Turntrans-92.4-12.1-178.3-64.5-79.3000114.9F31 L34 R35 D39 A49F31-F41 HydrophobicContact CB-CZ 4.41Å; F31-F41 AromaticContact CD1-CZ 3.87Å; F31-F41 HydrophobicContact CD1-CZ 3.87Å; L34-F41 HydrophobicContact CB-CE2 4.26Å; R35-F41 HydrophobicContact CB-CD2 3.91Å; R35-F41 HydrophobicContact CB-CE2 3.74Å; R35-F41 HydrophobicContact CG-CD2 4.22Å; R35-F41 HydrophobicContact CG-CE2 4.41Å; D39-F41 PolarHBondContact O-N 2.94Å; F41-A49 HydrophobicContact CD1-CB 4.5Å
42I90.9Very high92.6Very high159 Ų15996.8 Ų96.882%0.81551%0.505SS*.THydrogen-bonded Turntrans-127.5-21.4-168.6-52.7174.2000112.2D39D39-I42 PolarHBondContact O-N 3.39Å
43G87.1Confident92.6Very high54 Ų5497.7 Ų97.756%0.55751%0.509SS*.SBendtrans-84.8-7.6-172.800000115.5D39D39-G43 WeakPolarHBondContact O-CA 3.07Å; D39-G43 PolarHBondContact O-N 3.28Å
44G86.9Confident92.5Very high52 Ų5298.1 Ų98.154%0.53651%0.511SS..SBendtrans-121.7177.5-177.600000114.1
45D89.7Confident92.5Very high145 Ų145101.3 Ų101.378%0.77553%0.528SS*.SBendtrans-59.4154.3174.5-65.2-37.9000111.9G47 A48D45-G47 PolarHBondContact O-N 2.79Å; D45-G47 VanDerWaalsContact O-N 3.08Å; D45-A48 WeakPolarHBondContact O-CB 3.36Å; D45-A48 PolarHBondContact O-N 2.83Å
46Q88.6Confident92.5Very high208 Ų20896.3 Ų96.397%0.97252%0.519SS*.THydrogen-bonded Turntrans-56.7118.5179.6-168.8173.71.600110.6
47G89.9Confident92.4Very high43 Ų4396 Ų9644%0.44352%0.521SS..THydrogen-bonded Turntrans88.4-1.6-178.400000115.7D45 A49 E50 K51D45-G47 PolarHBondContact O-N 2.79Å; D45-G47 VanDerWaalsContact O-N 3.08Å; G47-A49 PolarHBondContact O-N 3.24Å; G47-E50 PolarHBondContact O-N 3.24Å; G47-K51 PolarHBondContact O-N 2.82Å
48A91.4Very high92.3Very high42 Ų4292.3 Ų92.335%0.34751%0.509SS..Hα-helixtrans-60.7-41.8179.100000112.8D45 E50 K51 L52D45-A48 WeakPolarHBondContact O-CB 3.36Å; D45-A48 PolarHBondContact O-N 2.83Å; A48-E50 PolarHBondContact O-N 3.02Å; A48-K51 PolarHBondContact O-N 2.86Å; A48-L52 PolarHBondContact O-N 3.12Å
49A90.9Very high92.3Very high21 Ų2194.8 Ų94.817%0.17452%0.517CS..Hα-helixtrans-60.9-44.7177.500000112.5F40 F41 G47 L52 V53F40-A49 HydrophobicContact CD1-CB 4.18Å; F40-A49 HydrophobicContact CE1-CB 3.73Å; F40-A49 HydrophobicContact CE2-CB 4.4Å; F40-A49 HydrophobicContact CZ-CB 3.85Å; F40-A49 WeakPolarHBondContact O-CB 3.27Å; F41-A49 HydrophobicContact CD1-CB 4.5Å; G47-A49 PolarHBondContact O-N 3.24Å; A49-L52 PolarHBondContact O-N 2.83Å; A49-V53 WeakPolarHBondContact O-CG2 3.25Å; A49-V53 PolarHBondContact O-N 2.92Å
50E92.9Very high92.3Very high114 Ų11494 Ų9453%0.53351%0.509SS..Hα-helixtrans-65.7-43.1178.7-174.7-176.7169.400111.2G47 A48 L52 V53 K54G47-E50 PolarHBondContact O-N 3.24Å; A48-E50 PolarHBondContact O-N 3.02Å; E50-L52 PolarHBondContact O-N 2.87Å; E50-V53 PolarHBondContact O-N 2.74Å; E50-K54 HydrophobicContact CG-CD 4.37Å; E50-K54 WeakPolarHBondContact O-CG 3.44Å; E50-K54 PolarHBondContact O-N 2.95Å; E50-K54 WeakPolarHBondContact OE1-CE 3.45Å; E50-K54 IonicContact OE1-NZ 2.74Å; E50-K54 PolarHBondContact OE1-NZ 2.9Å
51K93.9Very high92.3Very high136 Ų13694 Ų9459%0.59151%0.514SS*.Hα-helixtrans-60-45.7176.6-174.1-178.2175.6-172.50111.5G47 A48 V53 K54 D55G47-K51 PolarHBondContact O-N 2.82Å; A48-K51 PolarHBondContact O-N 2.86Å; K51-V53 VanDerWaalsContact C-N 3.34Å; K51-V53 PolarHBondContact O-N 2.97Å; K51-K54 PolarHBondContact O-N 2.83Å; K51-D55 WeakPolarHBondContact O-CB 3.14Å; K51-D55 VanDerWaalsContact O-CG 3.28Å; K51-D55 PolarHBondContact O-N 3.31Å
52L93.6Very high92.4Very high108 Ų10895.9 Ų95.957%0.56552%0.522SS*.Hα-helixtrans-59.6-44.8179.3-171.774.7000112F40 A48 A49 E50 D55 S56F40-L52 HydrophobicContact CE2-CD2 3.87Å; A48-L52 PolarHBondContact O-N 3.12Å; A49-L52 PolarHBondContact O-N 2.83Å; E50-L52 PolarHBondContact O-N 2.87Å; L52-D55 PolarHBondContact O-N 2.91Å; L52-S56 WeakPolarHBondContact O-CB 3.48Å; L52-S56 PolarHBondContact O-N 2.81Å
53V94.6Very high92.4Very high56 Ų5692.1 Ų92.134%0.33950%0.503SS..Hα-helixtrans-63.2-44.7178.5174.20000110.8F31 F40 A49 E50 K51 S56 F57F31-V53 HydrophobicContact CE1-CG2 3.81Å; F31-V53 HydrophobicContact CZ-CG1 4.09Å; F31-V53 HydrophobicContact CZ-CG2 3.87Å; F40-V53 HydrophobicContact CZ-CG2 3.87Å; A49-V53 WeakPolarHBondContact O-CG2 3.25Å; A49-V53 PolarHBondContact O-N 2.92Å; E50-V53 PolarHBondContact O-N 2.74Å; K51-V53 VanDerWaalsContact C-N 3.34Å; K51-V53 PolarHBondContact O-N 2.97Å; V53-S56 PolarHBondContact O-N 2.84Å; V53-F57 VanDerWaalsContact O-CB 3.27Å; V53-F57 WeakPolarHBondContact O-CB 3.28Å; V53-F57 PolarHBondContact O-N 2.93Å
54K95.3Very high92.6Very high110 Ų11092.5 Ų92.548%0.47850%0.501SS..Hα-helixtrans-63-47.1178-74.9-179.4-176.4171.70112.1E50 K51 S56 F57 D58E50-K54 HydrophobicContact CG-CD 4.37Å; E50-K54 WeakPolarHBondContact O-CG 3.44Å; E50-K54 PolarHBondContact O-N 2.95Å; E50-K54 WeakPolarHBondContact OE1-CE 3.45Å; E50-K54 IonicContact OE1-NZ 2.74Å; E50-K54 PolarHBondContact OE1-NZ 2.9Å; K51-K54 PolarHBondContact O-N 2.83Å; K54-S56 VanDerWaalsContact C-N 3.33Å; K54-S56 PolarHBondContact O-N 3.33Å; K54-F57 PolarHBondContact O-N 3.21Å; K54-D58 WeakPolarHBondContact O-CB 3.3Å; K54-D58 PolarHBondContact O-N 2.98Å
55D95.6Very high92.9Very high89 Ų8995.5 Ų95.548%0.47650%0.504SS..Hα-helixtrans-62.1-42.4-179.5-71-14.1000111.1K51 L52 H59K51-D55 WeakPolarHBondContact O-CB 3.14Å; K51-D55 VanDerWaalsContact O-CG 3.28Å; K51-D55 PolarHBondContact O-N 3.31Å; L52-D55 PolarHBondContact O-N 2.91Å; D55-H59 WeakPolarHBondContact O-CB 3.23Å; D55-H59 PolarHBondContact O-N 3.32Å
56S94Very high93.1Very high62 Ų6294.6 Ų94.643%0.43449%0.493SS..Hα-helixtrans-66.3-45176-1760000112L52 V53 K54 D58 H59 H60L52-S56 WeakPolarHBondContact O-CB 3.48Å; L52-S56 PolarHBondContact O-N 2.81Å; V53-S56 PolarHBondContact O-N 2.84Å; K54-S56 VanDerWaalsContact C-N 3.33Å; K54-S56 PolarHBondContact O-N 3.33Å; S56-D58 PolarHBondContact O-N 3.09Å; S56-H59 WeakPolarHBondContact O-CB 3.43Å; S56-H59 PolarHBondContact O-N 3.11Å; S56-H60 PolarHBondContact O-CD2 3.38Å; S56-H60 PolarHBondContact O-N 3.41Å; S56-H60 VanDerWaalsContact O-N 3.1Å
57F94.9Very high93.1Very high136 Ų13687.2 Ų87.260%0.59647%0.468SS*.Hα-helixtrans-58.4-48.7175.3173.2-95.7000111.8V53 K54 H59 H60 S61V53-F57 VanDerWaalsContact O-CB 3.27Å; V53-F57 WeakPolarHBondContact O-CB 3.28Å; V53-F57 PolarHBondContact O-N 2.93Å; K54-F57 PolarHBondContact O-N 3.21Å; F57-H59 VanDerWaalsContact C-N 3.28Å; F57-H59 PolarHBondContact O-N 3.15Å; F57-H60 PolarHBondContact O-N 3.37Å; F57-S61 WeakPolarHBondContact O-CB 3.37Å; F57-S61 PolarHBondContact O-N 2.82Å
58D95.3Very high93.1Very high77 Ų7790.4 Ų90.441%0.41247%0.471SS..Hα-helixtrans-62.4-37.3-179.5-79.4-11.5000111.8K54 S56 K62K54-D58 WeakPolarHBondContact O-CB 3.3Å; K54-D58 PolarHBondContact O-N 2.98Å; S56-D58 PolarHBondContact O-N 3.09Å; D58-K62 WeakPolarHBondContact O-CB 3.27Å; D58-K62 WeakPolarHBondContact O-CD 3.39Å; D58-K62 VanDerWaalsContact O-CG 3.25Å; D58-K62 WeakPolarHBondContact O-CG 3.31Å; D58-K62 PolarHBondContact O-N 3.38Å; D58-K62 VanDerWaalsContact O-N 3.1Å
59H94.7Very high93.1Very high110 Ų11096.6 Ų96.651%0.50949%0.485SS..Hα-helixtrans-61.6-55.2175.4-179.670.5000111.6D55 S56 F57 S61 K62 L63D55-H59 WeakPolarHBondContact O-CB 3.23Å; D55-H59 PolarHBondContact O-N 3.32Å; S56-H59 WeakPolarHBondContact O-CB 3.43Å; S56-H59 PolarHBondContact O-N 3.11Å; F57-H59 VanDerWaalsContact C-N 3.28Å; F57-H59 PolarHBondContact O-N 3.15Å; H59-S61 PolarHBondContact O-N 3.26Å; H59-K62 PolarHBondContact O-N 2.89Å; H59-L63 PolarHBondContact O-N 3.45Å
60H92.9Very high93.2Very high102 Ų102100.4 Ų100.447%0.47250%0.499SS..Hα-helixtrans-68.5-34.4-178.6-71.3-70.9000112.5S56 F57 K62 L63 A64S56-H60 PolarHBondContact O-CD2 3.38Å; S56-H60 PolarHBondContact O-N 3.41Å; S56-H60 VanDerWaalsContact O-N 3.1Å; F57-H60 PolarHBondContact O-N 3.37Å; H60-K62 PolarHBondContact O-N 3.16Å; H60-L63 PolarHBondContact O-N 3.15Å; H60-A64 WeakPolarHBondContact O-CB 3.42Å; H60-A64 PolarHBondContact O-N 3.43Å
61S92.5Very high93Very high43 Ų43101.4 Ų101.430%0.30150%0.502SS..Hα-helixtrans-60.1-45.1174-1800000111.8F57 H59 L63 A64 L65F57-S61 WeakPolarHBondContact O-CB 3.37Å; F57-S61 PolarHBondContact O-N 2.82Å; H59-S61 PolarHBondContact O-N 3.26Å; S61-L63 PolarHBondContact O-N 3.31Å; S61-A64 PolarHBondContact O-N 2.68Å; S61-L65 WeakPolarHBondContact O-CB 3.15Å; S61-L65 WeakPolarHBondContact O-CG 3.46Å; S61-L65 PolarHBondContact O-N 3.34Å
62K95Very high92.8Very high147 Ų14799.9 Ų99.964%0.63950%0.497SS*.Hα-helixtrans-61.9-41.6175.7-75.6168.8-174.7166.40112.4D58 H59 H60 K66D58-K62 WeakPolarHBondContact O-CB 3.27Å; D58-K62 WeakPolarHBondContact O-CD 3.39Å; D58-K62 VanDerWaalsContact O-CG 3.25Å; D58-K62 WeakPolarHBondContact O-CG 3.31Å; D58-K62 PolarHBondContact O-N 3.38Å; D58-K62 VanDerWaalsContact O-N 3.1Å; H59-K62 PolarHBondContact O-N 2.89Å; H60-K62 PolarHBondContact O-N 3.16Å; K62-K66 VanDerWaalsContact O-CB 3.32Å; K62-K66 WeakPolarHBondContact O-CB 3.32Å; K62-K66 PolarHBondContact O-N 3.04Å
63L91.5Very high92.8Very high80 Ų8099.7 Ų99.742%0.41949%0.494SS..Hα-helixtrans-63.6-46.4177.1-69.6174.7000111.4H59 H60 S61 L65 K66 A67H59-L63 PolarHBondContact O-N 3.45Å; H60-L63 PolarHBondContact O-N 3.15Å; S61-L63 PolarHBondContact O-N 3.31Å; L63-L65 PolarHBondContact O-N 3.21Å; L63-K66 PolarHBondContact O-N 2.82Å; L63-A67 WeakPolarHBondContact O-CB 3.36Å; L63-A67 PolarHBondContact O-N 3Å
64A89.7Confident92.6Very high61 Ų61103.5 Ų103.550%0.50451%0.506SS..Hα-helixtrans-61-46.5178.500000112H60 S61 K66 A67 H68H60-A64 WeakPolarHBondContact O-CB 3.42Å; H60-A64 PolarHBondContact O-N 3.43Å; S61-A64 PolarHBondContact O-N 2.68Å; A64-K66 VanDerWaalsContact C-N 3.35Å; A64-K66 PolarHBondContact O-N 2.88Å; A64-A67 PolarHBondContact O-N 2.82Å; A64-H68 WeakPolarHBondContact O-CB 3.44Å; A64-H68 PolarHBondContact O-N 3.16Å
65L92.9Very high92.3Very high116 Ų116102.7 Ų102.761%0.60751%0.505SS*.Hα-helixtrans-63.8-39.1177.7-71.8173.1000112.4S61 L63 R69S61-L65 WeakPolarHBondContact O-CB 3.15Å; S61-L65 WeakPolarHBondContact O-CG 3.46Å; S61-L65 PolarHBondContact O-N 3.34Å; L63-L65 PolarHBondContact O-N 3.21Å; L65-R69 WeakPolarHBondContact O-CB 3.49Å; L65-R69 PolarHBondContact O-N 3.13Å
66K94Very high92.1Very high126 Ų126105.2 Ų105.255%0.54851%0.513SS..Hα-helixtrans-63.7-49.5175.8-177-179.6172.3-174.60111.1K62 L63 A64 H68 R69 E70K62-K66 VanDerWaalsContact O-CB 3.32Å; K62-K66 WeakPolarHBondContact O-CB 3.32Å; K62-K66 PolarHBondContact O-N 3.04Å; L63-K66 PolarHBondContact O-N 2.82Å; A64-K66 VanDerWaalsContact C-N 3.35Å; A64-K66 PolarHBondContact O-N 2.88Å; K66-H68 VanDerWaalsContact C-N 3.31Å; K66-H68 PolarHBondContact O-N 2.9Å; K66-R69 PolarHBondContact O-N 3.29Å; K66-E70 WeakPolarHBondContact CE-OE1 3.36Å; K66-E70 IonicContact NZ-OE1 2.74Å; K66-E70 WeakPolarHBondContact O-CG 3.34Å; K66-E70 PolarHBondContact O-N 2.67Å
67A90.4Very high92Very high53 Ų53108.7 Ų108.744%0.43852%0.521SS..Hα-helixtrans-60.5-41.3178.300000111.9L63 A64 E70 K71L63-A67 WeakPolarHBondContact O-CB 3.36Å; L63-A67 PolarHBondContact O-N 3Å; A64-A67 PolarHBondContact O-N 2.82Å; A67-E70 PolarHBondContact O-N 3.02Å; A67-K71 WeakPolarHBondContact O-CB 3.32Å; A67-K71 PolarHBondContact O-N 3.24Å
68H88.3Confident91.8Very high109 Ų109107 Ų10751%0.50552%0.515SS..Hα-helixtrans-62.4-47.1175.6-174.5-93.5000111.9A64 K66 E70 K71 Q72A64-H68 WeakPolarHBondContact O-CB 3.44Å; A64-H68 PolarHBondContact O-N 3.16Å; K66-H68 VanDerWaalsContact C-N 3.31Å; K66-H68 PolarHBondContact O-N 2.9Å; H68-E70 PolarHBondContact O-N 3.33Å; H68-K71 PolarHBondContact O-N 2.8Å; H68-Q72 PolarHBondContact CE1-NE2 3.24Å; H68-Q72 PolarHBondContact ND1-OE1 3.5Å; H68-Q72 WeakPolarHBondContact O-CG 3.43Å; H68-Q72 PolarHBondContact O-N 3.07Å
69R93.1Very high91.6Very high172 Ų172110.8 Ų110.865%0.64953%0.528SS*.Hα-helixtrans-61.9-43.3177.5-172.3-176.9-80.6163.3-4.9111.6L65 K66 K71 Q72 M73L65-R69 WeakPolarHBondContact O-CB 3.49Å; L65-R69 PolarHBondContact O-N 3.13Å; K66-R69 PolarHBondContact O-N 3.29Å; R69-K71 VanDerWaalsContact C-N 3.35Å; R69-K71 PolarHBondContact O-N 2.84Å; R69-Q72 PolarHBondContact O-N 3.07Å; R69-M73 HydrophobicContact CG-CE 3.97Å; R69-M73 HydrophobicContact CG-SD 4.35Å; R69-M73 WeakPolarHBondContact O-CG 3.25Å; R69-M73 PolarHBondContact O-N 2.77Å
70E92.3Very high91.5Very high101 Ų101112.8 Ų112.847%0.47254%0.535SS..Hα-helixtrans-61.4-42.3176.4-74.7175-179.200112K66 A67 H68 M73 K74K66-E70 WeakPolarHBondContact CE-OE1 3.36Å; K66-E70 IonicContact NZ-OE1 2.74Å; K66-E70 WeakPolarHBondContact O-CG 3.34Å; K66-E70 PolarHBondContact O-N 2.67Å; A67-E70 PolarHBondContact O-N 3.02Å; H68-E70 PolarHBondContact O-N 3.33Å; E70-M73 HydrophobicContact CG-CE 4.15Å; E70-M73 PolarHBondContact O-N 3.15Å; E70-K74 WeakPolarHBondContact O-CB 3.3Å; E70-K74 PolarHBondContact O-N 2.92Å
71K89.3Confident91.5Very high136 Ų136111.8 Ų111.859%0.59153%0.53SS*.Hα-helixtrans-62.6-44175.3-170.8176.5-178.9179.80111.9A67 H68 R69 K74 Q75A67-K71 WeakPolarHBondContact O-CB 3.32Å; A67-K71 PolarHBondContact O-N 3.24Å; H68-K71 PolarHBondContact O-N 2.8Å; R69-K71 VanDerWaalsContact C-N 3.35Å; R69-K71 PolarHBondContact O-N 2.84Å; K71-K74 PolarHBondContact O-N 2.79Å; K71-Q75 WeakPolarHBondContact O-CG 3.44Å; K71-Q75 PolarHBondContact O-N 3.21Å
72Q89.7Confident91.4Very high104 Ų104117.6 Ų117.649%0.48655%0.55SS..Hα-helixtrans-62.6-47.3176.6-73.6-177-40.200112H68 R69 K74 Q75 E76H68-Q72 PolarHBondContact CE1-NE2 3.24Å; H68-Q72 PolarHBondContact ND1-OE1 3.5Å; H68-Q72 WeakPolarHBondContact O-CG 3.43Å; H68-Q72 PolarHBondContact O-N 3.07Å; R69-Q72 PolarHBondContact O-N 3.07Å; Q72-K74 VanDerWaalsContact C-N 3.29Å; Q72-K74 PolarHBondContact O-N 3.14Å; Q72-Q75 PolarHBondContact O-N 2.74Å; Q72-E76 WeakPolarHBondContact O-CB 3.48Å; Q72-E76 PolarHBondContact O-N 3.08Å
73M93Very high91.3Very high103 Ų103113.2 Ų113.251%0.50754%0.541SS..Hα-helixtrans-60.7-39.5177.6-71.8-175.6-62.400111.8R69 E70 E76 K77R69-M73 HydrophobicContact CG-CE 3.97Å; R69-M73 HydrophobicContact CG-SD 4.35Å; R69-M73 WeakPolarHBondContact O-CG 3.25Å; R69-M73 PolarHBondContact O-N 2.77Å; E70-M73 HydrophobicContact CG-CE 4.15Å; E70-M73 PolarHBondContact O-N 3.15Å; M73-E76 PolarHBondContact O-N 3.16Å; M73-K77 WeakPolarHBondContact O-CB 3.23Å; M73-K77 PolarHBondContact O-N 3.04Å
74K90.8Very high91.4Very high136 Ų136114 Ų11459%0.59154%0.543SS*.Hα-helixtrans-64.1-46.2176.3-172.7177.9176.1-1760111.7E70 K71 Q72 E76 K77 E78E70-K74 WeakPolarHBondContact O-CB 3.3Å; E70-K74 PolarHBondContact O-N 2.92Å; K71-K74 PolarHBondContact O-N 2.79Å; Q72-K74 VanDerWaalsContact C-N 3.29Å; Q72-K74 PolarHBondContact O-N 3.14Å; K74-E76 PolarHBondContact O-N 3.32Å; K74-K77 PolarHBondContact O-N 3.18Å; K74-E78 WeakPolarHBondContact CE-OE1 3.43Å; K74-E78 WeakPolarHBondContact O-CB 3.33Å; K74-E78 WeakPolarHBondContact O-CG 3.5Å; K74-E78 PolarHBondContact O-N 2.76Å
75Q87.9Confident91.5Very high94 Ų94119.5 Ų119.544%0.43955%0.551SS.*Hα-helixtrans-63.5-40.2177.7-73.2178-11.700112.5K71 Q72 K79K71-Q75 WeakPolarHBondContact O-CG 3.44Å; K71-Q75 PolarHBondContact O-N 3.21Å; Q72-Q75 PolarHBondContact O-N 2.74Å; Q75-K79 WeakPolarHBondContact O-CB 3.37Å; Q75-K79 WeakPolarHBondContact O-CG 3.26Å; Q75-K79 PolarHBondContact O-N 2.85Å
76E91.4Very high91.4Very high141 Ų141117.3 Ų117.366%0.65955%0.545SS*.Hα-helixtrans-65.9-42.7176.8-168.4-177.8165.500111.4Q72 M73 K74 K79 K80Q72-E76 WeakPolarHBondContact O-CB 3.48Å; Q72-E76 PolarHBondContact O-N 3.08Å; M73-E76 PolarHBondContact O-N 3.16Å; K74-E76 PolarHBondContact O-N 3.32Å; E76-K79 PolarHBondContact O-N 2.58Å; E76-K80 WeakPolarHBondContact O-CB 3.27Å; E76-K80 PolarHBondContact O-N 3.39Å
77K92.7Very high91.3Very high135 Ų135114.1 Ų114.159%0.58754%0.542SS*.Hα-helixtrans-61.7-46.4175.6-166.4-174.2-176-154.80111.7M73 K74 K79 K80 E81M73-K77 WeakPolarHBondContact O-CB 3.23Å; M73-K77 PolarHBondContact O-N 3.04Å; K74-K77 PolarHBondContact O-N 3.18Å; K77-K79 VanDerWaalsContact C-N 3.35Å; K77-K79 PolarHBondContact O-N 3.4Å; K77-K80 PolarHBondContact O-N 3.49Å; K77-E81 WeakPolarHBondContact CE-OE1 3.29Å; K77-E81 IonicContact NZ-OE1 2.73Å; K77-E81 WeakPolarHBondContact O-CB 3.44Å; K77-E81 WeakPolarHBondContact O-CG 3.32Å; K77-E81 PolarHBondContact O-N 2.86Å
78E90.7Very high91.5Very high102 Ų102116.7 Ų116.748%0.47754%0.543SS..Hα-helixtrans-61.4-41.9177-75.4172.3-176.300111.9K74 K82K74-E78 WeakPolarHBondContact CE-OE1 3.43Å; K74-E78 WeakPolarHBondContact O-CB 3.33Å; K74-E78 WeakPolarHBondContact O-CG 3.5Å; K74-E78 PolarHBondContact O-N 2.76Å; E78-K82 VanDerWaalsContact O-CB 3.31Å; E78-K82 WeakPolarHBondContact O-CB 3.49Å; E78-K82 PolarHBondContact O-N 3.28Å
79K90.4Very high91.5Very high156 Ų156116.8 Ų116.868%0.67855%0.547SS*.Hα-helixtrans-62.5-44174.4-76.7179179.7-175.40111.8Q75 E76 K77 K82 A83Q75-K79 WeakPolarHBondContact O-CB 3.37Å; Q75-K79 WeakPolarHBondContact O-CG 3.26Å; Q75-K79 PolarHBondContact O-N 2.85Å; E76-K79 PolarHBondContact O-N 2.58Å; K77-K79 VanDerWaalsContact C-N 3.35Å; K77-K79 PolarHBondContact O-N 3.4Å; K79-K82 PolarHBondContact O-N 3.24Å; K79-A83 WeakPolarHBondContact O-CB 3.37Å; K79-A83 PolarHBondContact O-N 3.03Å
80K93.8Very high91.4Very high152 Ų152111.3 Ų111.366%0.66154%0.538SS*.Hα-helixtrans-64.8-45.5178.9-171.4176.4179.41780111.8E76 K77 K82 A83 E84E76-K80 WeakPolarHBondContact O-CB 3.27Å; E76-K80 PolarHBondContact O-N 3.39Å; K77-K80 PolarHBondContact O-N 3.49Å; K80-K82 VanDerWaalsContact C-N 3.33Å; K80-K82 PolarHBondContact O-N 3.24Å; K80-A83 PolarHBondContact O-N 3.06Å; K80-E84 WeakPolarHBondContact O-CB 3.41Å; K80-E84 PolarHBondContact O-N 2.54Å
81E91.9Very high91.3Very high81 Ų81112.5 Ų112.538%0.37954%0.544SS..Hα-helixtrans-62.7-39.8176.3-73.2177.8-17300111.7K77 R85K77-E81 WeakPolarHBondContact CE-OE1 3.29Å; K77-E81 IonicContact NZ-OE1 2.73Å; K77-E81 WeakPolarHBondContact O-CB 3.44Å; K77-E81 WeakPolarHBondContact O-CG 3.32Å; K77-E81 PolarHBondContact O-N 2.86Å; E81-R85 WeakPolarHBondContact O-CG 3.4Å; E81-R85 PolarHBondContact O-N 2.95Å
82K91.4Very high91.3Very high164 Ų164112 Ų11271%0.71354%0.544SS*.Hα-helixtrans-64.9-43.8175.5-171.9177.3179.9-178.80111.9E78 K79 K80 R85 S86E78-K82 VanDerWaalsContact O-CB 3.31Å; E78-K82 WeakPolarHBondContact O-CB 3.49Å; E78-K82 PolarHBondContact O-N 3.28Å; K79-K82 PolarHBondContact O-N 3.24Å; K80-K82 VanDerWaalsContact C-N 3.33Å; K80-K82 PolarHBondContact O-N 3.24Å; K82-R85 PolarHBondContact O-N 3.22Å; K82-S86 PolarHBondContact O-N 2.82Å; K82-S86 PolarHBondContact O-OG 3.35Å
83A92.6Very high91.1Very high55 Ų55112.1 Ų112.146%0.45554%0.544SS..Hα-helixtrans-63.5-42177.400000112.1K79 K80 S86 A87K79-A83 WeakPolarHBondContact O-CB 3.37Å; K79-A83 PolarHBondContact O-N 3.03Å; K80-A83 PolarHBondContact O-N 3.06Å; A83-S86 WeakPolarHBondContact CA-OG 3.4Å; A83-S86 PolarHBondContact O-N 2.77Å; A83-S86 PolarHBondContact O-OG 3.09Å; A83-A87 WeakPolarHBondContact O-CB 3.33Å; A83-A87 PolarHBondContact O-N 3.06Å
84E93.9Very high90.8Very high97 Ų97112.1 Ų112.145%0.45354%0.543SS..Hα-helixtrans-65.2-40.5177-165.2-173.7149.700111.7K80 A87 K88K80-E84 WeakPolarHBondContact O-CB 3.41Å; K80-E84 PolarHBondContact O-N 2.54Å; E84-A87 PolarHBondContact O-N 3.27Å; E84-K88 WeakPolarHBondContact O-CG 3.31Å; E84-K88 PolarHBondContact O-N 3.31Å; E84-K88 WeakPolarHBondContact OE1-CE 3.5Å; E84-K88 IonicContact OE1-NZ 2.79Å; E84-K88 PolarHBondContact OE1-NZ 2.99Å
85R90.6Very high90.5Very high177 Ų177110.3 Ų110.367%0.66854%0.537SS*.Hα-helixtrans-63.7-43.3174.2-75-177.3-170.1-179.45.4112.3E81 K82 A87 K88 L89E81-R85 WeakPolarHBondContact O-CG 3.4Å; E81-R85 PolarHBondContact O-N 2.95Å; K82-R85 PolarHBondContact O-N 3.22Å; R85-A87 VanDerWaalsContact C-N 3.33Å; R85-K88 PolarHBondContact O-N 3.27Å; R85-L89 WeakPolarHBondContact O-CG 3.29Å; R85-L89 PolarHBondContact O-N 3.41Å
86S90.4Very high90.1Very high70 Ų70111 Ų11149%0.4954%0.539SS..Hα-helixtrans-65.8-36.6177.352.70000112.5K82 A83 L89 A90K82-S86 PolarHBondContact O-N 2.82Å; K82-S86 PolarHBondContact O-OG 3.35Å; A83-S86 WeakPolarHBondContact CA-OG 3.4Å; A83-S86 PolarHBondContact O-N 2.77Å; A83-S86 PolarHBondContact O-OG 3.09Å; S86-L89 PolarHBondContact O-N 3.48Å; S86-A90 WeakPolarHBondContact O-CB 3.44Å; S86-A90 PolarHBondContact O-N 2.96Å
87A93.2Very high89.5Confident58 Ų58109.7 Ų109.748%0.47953%0.532SS..Hα-helixtrans-65.6-44.3176.600000111.6A83 E84 R85 L89 A90 E91A83-A87 WeakPolarHBondContact O-CB 3.33Å; A83-A87 PolarHBondContact O-N 3.06Å; E84-A87 PolarHBondContact O-N 3.27Å; R85-A87 VanDerWaalsContact C-N 3.33Å; A87-L89 PolarHBondContact O-N 3.05Å; A87-A90 PolarHBondContact O-N 3.41Å; A87-E91 WeakPolarHBondContact O-CB 3.07Å; A87-E91 PolarHBondContact O-N 3.48Å
88K93.2Very high88.9Confident107 Ų107108.8 Ų108.847%0.46553%0.528SS..Hα-helixtrans-61.1-43.3175.6-74177.9-174.6168.30112.6E84 R85 A90 E91 E92E84-K88 WeakPolarHBondContact O-CG 3.31Å; E84-K88 PolarHBondContact O-N 3.31Å; E84-K88 WeakPolarHBondContact OE1-CE 3.5Å; E84-K88 IonicContact OE1-NZ 2.79Å; E84-K88 PolarHBondContact OE1-NZ 2.99Å; R85-K88 PolarHBondContact O-N 3.27Å; K88-A90 VanDerWaalsContact C-N 3.34Å; K88-A90 PolarHBondContact O-N 3.24Å; K88-E91 PolarHBondContact O-N 2.96Å; K88-E92 WeakPolarHBondContact O-CB 3.23Å; K88-E92 WeakPolarHBondContact O-CG 3.18Å; K88-E92 PolarHBondContact O-N 3.36Å
89L89.1Confident88.1Confident112 Ų112109.6 Ų109.659%0.58653%0.53SS*.Hα-helixtrans-63.9-39.5176.7-72.2169.5000112.1R85 S86 A87 E93R85-L89 WeakPolarHBondContact O-CG 3.29Å; R85-L89 PolarHBondContact O-N 3.41Å; S86-L89 PolarHBondContact O-N 3.48Å; A87-L89 PolarHBondContact O-N 3.05Å; L89-E93 WeakPolarHBondContact O-CB 3.45Å; L89-E93 PolarHBondContact O-N 3.35Å
90A90.5Very high86.9Confident56 Ų56108.9 Ų108.946%0.46353%0.527SS..Hα-helixtrans-66.4-40.1176.200000111.9S86 A87 K88 E93 E94S86-A90 WeakPolarHBondContact O-CB 3.44Å; S86-A90 PolarHBondContact O-N 2.96Å; A87-A90 PolarHBondContact O-N 3.41Å; K88-A90 VanDerWaalsContact C-N 3.34Å; K88-A90 PolarHBondContact O-N 3.24Å; A90-E93 PolarHBondContact O-N 2.62Å; A90-E94 WeakPolarHBondContact O-CB 3.31Å; A90-E94 PolarHBondContact O-N 3.27Å
91E91Very high85.4Confident126 Ų126110.3 Ų110.359%0.58953%0.533SS*.Hα-helixtrans-66.1-43.6176.5-167.9174-168.100111.6A87 K88 E93 E94 E95A87-E91 WeakPolarHBondContact O-CB 3.07Å; A87-E91 PolarHBondContact O-N 3.48Å; K88-E91 PolarHBondContact O-N 2.96Å; E91-E93 PolarHBondContact O-N 3.22Å; E91-E94 PolarHBondContact O-N 2.96Å; E91-E95 PolarHBondContact O-N 2.91Å
92E88.2Confident83.9Confident127 Ų127114.1 Ų114.159%0.59355%0.551SS**Hα-helixtrans-60.9-41.3172.9-76.2178.1179.700112.1K88 E95 E96K88-E92 WeakPolarHBondContact O-CB 3.23Å; K88-E92 WeakPolarHBondContact O-CG 3.18Å; K88-E92 PolarHBondContact O-N 3.36Å; E92-E95 PolarHBondContact O-N 3.38Å; E92-E96 PolarHBondContact O-N 3.16Å
93E86.4Confident82.1Confident105 Ų105113 Ų11349%0.49155%0.552SS.*Hα-helixtrans-68.1-36.3177.2-159.5-169146.900112L89 A90 E91 E96 K97L89-E93 WeakPolarHBondContact O-CB 3.45Å; L89-E93 PolarHBondContact O-N 3.35Å; A90-E93 PolarHBondContact O-N 2.62Å; E91-E93 PolarHBondContact O-N 3.22Å; E93-E96 PolarHBondContact O-N 2.86Å; E93-K97 WeakPolarHBondContact O-CB 3.2Å; E93-K97 VanDerWaalsContact O-CG 3.31Å; E93-K97 WeakPolarHBondContact O-CG 3.31Å; E93-K97 PolarHBondContact O-N 3.16Å; E93-K97 VanDerWaalsContact OE1-CE 3.26Å; E93-K97 WeakPolarHBondContact OE1-CE 3.23Å; E93-K97 IonicContact OE1-NZ 3.31Å; E93-K97 PolarHBondContact OE1-NZ 2.91Å
94E86.4Confident79.8Confident104 Ų104113.6 Ų113.649%0.48656%0.564SS.*Hα-helixtrans-69.7-40.7175.6-152.8-163.4141.900111.6A90 E91 K97 K98A90-E94 WeakPolarHBondContact O-CB 3.31Å; A90-E94 PolarHBondContact O-N 3.27Å; E91-E94 PolarHBondContact O-N 2.96Å; E94-K97 PolarHBondContact O-N 3.24Å; E94-K98 WeakPolarHBondContact O-CG 3.33Å; E94-K98 PolarHBondContact O-N 2.7Å; E94-K98 VanDerWaalsContact OE1-CE 3.24Å; E94-K98 WeakPolarHBondContact OE1-CE 3.4Å; E94-K98 IonicContact OE1-NZ 2.58Å; E94-K98 PolarHBondContact OE1-NZ 2.81Å
95E85.6Confident77.4Confident98 Ų98117.3 Ų117.346%0.45859%0.587SS.*Hα-helixtrans-62-42.5171.5-83-157.1177.500112.2E91 E92 K97 K98 K99E91-E95 PolarHBondContact O-N 2.91Å; E92-E95 PolarHBondContact O-N 3.38Å; E95-K97 VanDerWaalsContact C-N 3.33Å; E95-K97 PolarHBondContact O-N 2.83Å; E95-K98 PolarHBondContact O-N 2.73Å; E95-K99 WeakPolarHBondContact O-CG 3.39Å; E95-K99 PolarHBondContact O-N 3.3Å; E95-K99 IonicContact OE2-NZ 2.74Å; E95-K99 PolarHBondContact OE2-NZ 2.77Å
96E79.7Confident74.9Confident107 Ų107111.8 Ų111.850%0.559%0.586SS.*Hα-helixtrans-61.3-42174.5-92.1-150.1178.800111.9E92 E93 K99 K100E92-E96 PolarHBondContact O-N 3.16Å; E93-E96 PolarHBondContact O-N 2.86Å; E96-K99 PolarHBondContact O-N 3.18Å; E96-K100 WeakPolarHBondContact O-CB 3.2Å; E96-K100 WeakPolarHBondContact O-CG 3.02Å; E96-K100 PolarHBondContact O-N 2.74Å; E96-K100 IonicContact OE2-NZ 3.96Å; E96-K100 PolarHBondContact OE2-NZ 3.42Å
97K78.7Confident72.7Confident114 Ų114115.1 Ų115.150%0.49661%0.605SS.*Hα-helixtrans-63.8-40175.7-76.2170.4-173.8164.50111.4E93 E94 E95 K100 K101E93-K97 WeakPolarHBondContact O-CB 3.2Å; E93-K97 VanDerWaalsContact O-CG 3.31Å; E93-K97 WeakPolarHBondContact O-CG 3.31Å; E93-K97 PolarHBondContact O-N 3.16Å; E93-K97 VanDerWaalsContact OE1-CE 3.26Å; E93-K97 WeakPolarHBondContact OE1-CE 3.23Å; E93-K97 IonicContact OE1-NZ 3.31Å; E93-K97 PolarHBondContact OE1-NZ 2.91Å; E94-K97 PolarHBondContact O-N 3.24Å; E95-K97 VanDerWaalsContact C-N 3.33Å; E95-K97 PolarHBondContact O-N 2.83Å; K97-K100 PolarHBondContact O-N 3.34Å; K97-K101 WeakPolarHBondContact O-CG 3.45Å; K97-K101 PolarHBondContact O-N 3.12Å
98K78.4Confident70.2Confident117 Ų117122.8 Ų122.851%0.50962%0.622SS.*Hα-helixtrans-64.4-46.3174.5-75.5172.7-174.7160.70111.7E94 E95 K100 K101 E102E94-K98 WeakPolarHBondContact O-CG 3.33Å; E94-K98 PolarHBondContact O-N 2.7Å; E94-K98 VanDerWaalsContact OE1-CE 3.24Å; E94-K98 WeakPolarHBondContact OE1-CE 3.4Å; E94-K98 IonicContact OE1-NZ 2.58Å; E94-K98 PolarHBondContact OE1-NZ 2.81Å; E95-K98 PolarHBondContact O-N 2.73Å; K98-K100 VanDerWaalsContact C-N 3.34Å; K98-K100 PolarHBondContact O-N 3.14Å; K98-K101 PolarHBondContact O-N 2.61Å; K98-K101 VanDerWaalsContact O-N 3.09Å; K98-E102 PolarHBondContact O-N 2.89Å
99K75.7Confident67.8Low118 Ų118125.4 Ų125.451%0.51364%0.639SS.*Hα-helixtrans-62.1-37.6175.6-74169-177.7150.40112.7E95 E96 K101 E102 N103E95-K99 WeakPolarHBondContact O-CG 3.39Å; E95-K99 PolarHBondContact O-N 3.3Å; E95-K99 IonicContact OE2-NZ 2.74Å; E95-K99 PolarHBondContact OE2-NZ 2.77Å; E96-K99 PolarHBondContact O-N 3.18Å; K99-K101 VanDerWaalsContact C-N 3.35Å; K99-E102 PolarHBondContact O-N 2.9Å; K99-N103 PolarHBondContact O-N 2.92Å
100K65.1Low65.5Low141 Ų141127.9 Ų127.961%0.61365%0.648SS**Hα-helixtrans-68.3-30.4173.6-76.8166.5176.9152.60112.7E96 K97 K98E96-K100 WeakPolarHBondContact O-CB 3.2Å; E96-K100 WeakPolarHBondContact O-CG 3.02Å; E96-K100 PolarHBondContact O-N 2.74Å; E96-K100 IonicContact OE2-NZ 3.96Å; E96-K100 PolarHBondContact OE2-NZ 3.42Å; K97-K100 PolarHBondContact O-N 3.34Å; K98-K100 VanDerWaalsContact C-N 3.34Å; K98-K100 PolarHBondContact O-N 3.14Å
101K61.4Low63.2Low182 Ų182133.7 Ų133.779%0.79167%0.665SS**Hα-helixtrans-75.9-32.8172.8-77.3-177176.2-174.60113.1K97 K98 K99K97-K101 WeakPolarHBondContact O-CG 3.45Å; K97-K101 PolarHBondContact O-N 3.12Å; K98-K101 PolarHBondContact O-N 2.61Å; K98-K101 VanDerWaalsContact O-N 3.09Å; K99-K101 VanDerWaalsContact C-N 3.35Å
102E60.2Low61Low162 Ų162134.5 Ų134.576%0.75767%0.673SS**Hα-helixtrans-77.9-33.7177.5-76.9-175.2154.700113.5K98 K99 G104K98-E102 PolarHBondContact O-N 2.89Å; K99-E102 PolarHBondContact O-N 2.9Å; E102-G104 PolarHBondContact O-N 2.89Å
103N53.6Low59.6Low139 Ų139133.1 Ų133.174%0.74367%0.674SS**SBendtrans-78.665.3169.8-75.2-19000110.5K99 D105K99-N103 PolarHBondContact O-N 2.92Å; N103-D105 PolarHBondContact O-N 3.39Å
104G44.9Very low58Low68 Ų68134.8 Ų134.870%0.70169%0.686SS**  trans-68.9112.8179.200000113E102E102-G104 PolarHBondContact O-N 2.89Å
105D44.2Very low56.2Low175 Ų175137.3 Ų137.394%0.93670%0.698SS**  trans-137.9101.2144.3-161.218.3000109.1N103N103-D105 PolarHBondContact O-N 3.39Å
106G38Very low54.6Low62 Ų62138 Ų13864%0.63970%0.701SS**SBendtrans160.9138.6179.400000113.2
107P43.9Very low53.3Low139 Ų139135.7 Ų135.790%0.90370%0.7SS**  trans-75.8147.8-159.431.2-34.5000114.5
108R41Very low52.7Low220 Ų220137.4 Ų137.483%0.8371%0.71SS**  trans-80.4120.4-165.5-169.1175.3-174.6168.51.6113.2
109I41Very low51.9Low162 Ų162139 Ų13983%0.83172%0.717SS**  trans-119.6129.3155.6-60.3174.2000106.1
110Q41Very low51.1Low163 Ų163137.4 Ų137.476%0.76271%0.713SS**  trans-97.1108.7-169.6-167.9169.10.800109.5
111E42Very low50.9Low178 Ų178136.7 Ų136.783%0.83271%0.712SS**PPolyproline II helixtrans-83.3138.1176.1-66.9179.616200110.5
112L45.6Very low51.1Low143 Ų143131.4 Ų131.475%0.74970%0.698SS**PPolyproline II helixtrans-68.4143.7177.8-69.8157.5000110.4
113T58.3Low51.5Low99 Ų99130.3 Ų130.361%0.60769%0.693SS**PPolyproline II helixtrans-78.7142.7-173.837.40000113.3E115 E116T113-E115 PolarHBondContact O-N 3.16Å; T113-E116 PolarHBondContact O-N 2.86Å
114D52.6Low51.9Low140 Ų140126.8 Ų126.875%0.74967%0.674SS**Hα-helixtrans-51.6-24.5-173.9-59.1-42000115.2E116 A117 E118D114-E116 VanDerWaalsContact C-N 3.35Å; D114-E116 PolarHBondContact O-N 3.24Å; D114-A117 PolarHBondContact O-N 3.37Å; D114-E118 PolarHBondContact O-N 2.92Å
115E50.1Low53.2Low157 Ų157128.2 Ų128.273%0.73467%0.665SS**Hα-helixtrans-68.4-27177.4-68.9-173.1158.800114.1T113T113-E115 PolarHBondContact O-N 3.16Å
116E51.4Low54.4Low112 Ų112127.2 Ų127.252%0.52365%0.653SS.*Hα-helixtrans-79.3-28.9175.5-76.6-172.814600111.9T113 D114 L120T113-E116 PolarHBondContact O-N 2.86Å; D114-E116 VanDerWaalsContact C-N 3.35Å; D114-E116 PolarHBondContact O-N 3.24Å; E116-L120 PolarHBondContact O-N 3.16Å
117A52.1Low55.8Low58 Ų58130.8 Ų130.848%0.47965%0.651SS.*Hα-helixtrans-70.3-39.5177.300000112D114 L120 Q121D114-A117 PolarHBondContact O-N 3.37Å; A117-L120 PolarHBondContact O-N 2.81Å; A117-Q121 PolarHBondContact O-N 3.44Å; A117-Q121 VanDerWaalsContact O-N 3.1Å
118E65.4Low56.8Low151 Ų151129.6 Ų129.671%0.70663%0.631SS**Hα-helixtrans-67.6-37.1177.9-74.4-166.9153.200113D114 Q121 S122D114-E118 PolarHBondContact O-N 2.92Å; E118-Q121 PolarHBondContact O-N 3.37Å; E118-S122 PolarHBondContact O-N 3.39Å; E118-S122 VanDerWaalsContact O-N 3.09Å
119K62.7Low57.9Low150 Ų150126.6 Ų126.665%0.65262%0.624SS**Hα-helixtrans-62.7-44.7176-85.1179.4178.8170.50111.7Q121 S122 E123K119-Q121 VanDerWaalsContact C-N 3.34Å; K119-Q121 PolarHBondContact O-N 3.09Å; K119-S122 PolarHBondContact O-N 3.02Å; K119-S122 PolarHBondContact O-OG 3.08Å; K119-E123 PolarHBondContact O-N 2.94Å
120L58.2Low58.6Low84 Ų84125.4 Ų125.444%0.4462%0.615SS.*Hα-helixtrans-62.7-39.5176.1-105.9114000112.5E116 A117 S122 E123 L124E116-L120 PolarHBondContact O-N 3.16Å; A117-L120 PolarHBondContact O-N 2.81Å; L120-S122 VanDerWaalsContact C-N 3.35Å; L120-S122 PolarHBondContact O-N 3.12Å; L120-E123 PolarHBondContact O-N 3.48Å; L120-L124 WeakPolarHBondContact O-CD1 3.47Å; L120-L124 WeakPolarHBondContact O-CG 3.49Å; L120-L124 PolarHBondContact O-N 3.13Å
121Q61.3Low59.1Low127 Ų127123.9 Ų123.959%0.59361%0.608SS**Hα-helixtrans-62.8-42.2178.2-153.3100.93.300111.5A117 E118 K119 E123 L124 D125A117-Q121 PolarHBondContact O-N 3.44Å; A117-Q121 VanDerWaalsContact O-N 3.1Å; E118-Q121 PolarHBondContact O-N 3.37Å; K119-Q121 VanDerWaalsContact C-N 3.34Å; K119-Q121 PolarHBondContact O-N 3.09Å; Q121-E123 PolarHBondContact O-N 2.84Å; Q121-L124 PolarHBondContact O-N 3.4Å; Q121-D125 PolarHBondContact O-N 3.45Å; Q121-D125 VanDerWaalsContact O-N 3.16Å
122S66Low59.5Low71 Ų71122.1 Ų122.150%0.49760%0.6SS.*Hα-helixtrans-69.2-31.4-179.1740000113.9E118 K119 L120E118-S122 PolarHBondContact O-N 3.39Å; E118-S122 VanDerWaalsContact O-N 3.09Å; K119-S122 PolarHBondContact O-N 3.02Å; K119-S122 PolarHBondContact O-OG 3.08Å; L120-S122 VanDerWaalsContact C-N 3.35Å; L120-S122 PolarHBondContact O-N 3.12Å
123E67.3Low59.6Low139 Ų139123.5 Ų123.565%0.6560%0.602SS**Hα-helixtrans-74.5-32.7175.2-73.6-174.2167.200112.2K119 L120 Q121 K127K119-E123 PolarHBondContact O-N 2.94Å; L120-E123 PolarHBondContact O-N 3.48Å; Q121-E123 PolarHBondContact O-N 2.84Å; E123-K127 PolarHBondContact O-N 3.17Å
124L62.9Low59Low65 Ų65126.7 Ų126.734%0.3461%0.61SS.*Hα-helixtrans-71.7-38.1177.8-76.5163.1000112.9L120 Q121 K126 K127 K128 Q328L120-L124 WeakPolarHBondContact O-CD1 3.47Å; L120-L124 WeakPolarHBondContact O-CG 3.49Å; L120-L124 PolarHBondContact O-N 3.13Å; Q121-L124 PolarHBondContact O-N 3.4Å; L124-K126 VanDerWaalsContact C-N 3.28Å; L124-K126 PolarHBondContact O-N 3Å; L124-K127 PolarHBondContact O-N 3.41Å; L124-K128 PolarHBondContact O-N 3.49Å; L124-Q328 VanDerWaalsContact CD2-NE2 3.31Å
125D72Confident58.6Low98 Ų98128.4 Ų128.452%0.52461%0.614SS.*Hα-helixtrans-70.8-25.2177.7-74.4-21.3000112.7Q121Q121-D125 PolarHBondContact O-N 3.45Å; Q121-D125 VanDerWaalsContact O-N 3.16Å
126K69.1Low58.1Low153 Ų153130.2 Ų130.267%0.66562%0.619SS**Hα-helixtrans-73.1-42.1174.7-125.1177.9-179.1-178.50112.1L124 K129 E130L124-K126 VanDerWaalsContact C-N 3.28Å; L124-K126 PolarHBondContact O-N 3Å; K126-K129 PolarHBondContact O-N 3.35Å; K126-E130 PolarHBondContact O-N 2.93Å
127K66.9Low57.4Low138 Ų138130.4 Ų130.460%0.663%0.628SS**Hα-helixtrans-65.2-38.9176.5-92.7-178171.9177.20113.1E123 L124 K129 E130 E131E123-K127 PolarHBondContact O-N 3.17Å; L124-K127 PolarHBondContact O-N 3.41Å; K127-K129 VanDerWaalsContact C-N 3.32Å; K127-K129 PolarHBondContact O-N 2.86Å; K127-E130 PolarHBondContact O-N 3.21Å; K127-E131 PolarHBondContact O-N 3.41Å
128K66.7Low56.4Low114 Ų114136.8 Ų136.850%0.49665%0.645SS.*Hα-helixtrans-64.6-33.2177.3-86.4-172.7165.5-160.70114.1L124 E130 E131 E132L124-K128 PolarHBondContact O-N 3.49Å; K128-E130 VanDerWaalsContact C-N 3.33Å; K128-E131 PolarHBondContact O-N 3.35Å; K128-E132 WeakPolarHBondContact O-CG 3.42Å; K128-E132 PolarHBondContact O-N 2.86Å; K128-E132 VanDerWaalsContact O-N 3.13Å
129K63.2Low54.8Low157 Ų157136.8 Ų136.868%0.68365%0.65SS**Hα-helixtrans-71.2-28.9176.8-80-178.8176.5177.50113K126 K127K126-K129 PolarHBondContact O-N 3.35Å; K127-K129 VanDerWaalsContact C-N 3.32Å; K127-K129 PolarHBondContact O-N 2.86Å
130E55.1Low53.2Low136 Ų136136.2 Ų136.264%0.63665%0.654SS**Hα-helixtrans-75.9-33.2174.9-69.2174.117500111.4K126 K127 K128K126-E130 PolarHBondContact O-N 2.93Å; K127-E130 PolarHBondContact O-N 3.21Å; K128-E130 VanDerWaalsContact C-N 3.33Å
131E52.2Low51.7Low132 Ų132138.5 Ų138.562%0.61767%0.672SS**Hα-helixtrans-74.3-32176.4-72.1174.8171.500113.3K127 K128 E133 E134K127-E131 PolarHBondContact O-N 3.41Å; K128-E131 PolarHBondContact O-N 3.35Å; E131-E133 VanDerWaalsContact C-N 3.34Å; E131-E133 PolarHBondContact O-N 3.01Å; E131-E134 PolarHBondContact O-N 3.25Å
132E51.2Low50.1Low141 Ų141136.3 Ų136.366%0.65968%0.683SS**Hα-helixtrans-74.2-17.8178.4-78-179.7179.200114.2K128K128-E132 WeakPolarHBondContact O-CG 3.42Å; K128-E132 PolarHBondContact O-N 2.86Å; K128-E132 VanDerWaalsContact O-N 3.13Å
133E47.8Very low48.1Very low172 Ų172136.9 Ų136.980%0.80470%0.7SS**Hα-helixtrans-81.2-21.5174.2-83.9-169.4157.100113.3E131E131-E133 VanDerWaalsContact C-N 3.34Å; E131-E133 PolarHBondContact O-N 3.01Å
134E43.8Very low46.2Very low165 Ų165139 Ų13977%0.77171%0.71SS**Hα-helixtrans-84.1-23.1179-75.2-168.2150.700113.8E131E131-E134 PolarHBondContact O-N 3.25Å
135E44.8Very low44.4Very low177 Ų177142.7 Ų142.783%0.82773%0.726SS**THydrogen-bonded Turntrans-88.4-0.6-172.4-114.4-173.8175.400115.9T137E135-T137 VanDerWaalsContact C-N 3.31Å; E135-T137 PolarHBondContact O-N 3.48Å
136K40.8Very low42.3Very low195 Ų195145.7 Ų145.785%0.84873%0.734SS**THydrogen-bonded Turntrans-83.59.2178.6-91.6-179.2-178.7169.80115.9
137T35.6Very low40.2Very low115 Ų115143.2 Ų143.271%0.70674%0.736SS**SBendtrans-123.978.7173.844.30000112.6E135E135-T137 VanDerWaalsContact C-N 3.31Å; E135-T137 PolarHBondContact O-N 3.48Å
138K32.2Very low38.2Very low193 Ų193142.7 Ų142.784%0.83975%0.749SS**SBendtrans177.1109.6141-95.2150.5-170.8174.40113
139N30.4Very low36.3Very low151 Ų151144.2 Ų144.281%0.80776%0.763SS**  trans52.7121.8144.1-58-3.2000119.5
140D29.1Very low34.6Very low138 Ų138146.4 Ų146.474%0.73877%0.773SS**  cis75.5132.141.7-16032.8000116.7
141T26.7Very low33.7Very low131 Ų131148.5 Ų148.580%0.80478%0.783SS**  trans68.3132.9171.7530000119.2
142G27.2Very low32.5Very low81 Ų81152 Ų15284%0.83580%0.796SS**  cis163.6159.72.200000110.3
143G25.7Very low31.9Very low83 Ų83149.2 Ų149.286%0.85680%0.804SS**  trans130.9111.5156.100000120.1
144E26Very low30.9Very low183 Ų183145.8 Ų145.886%0.85580%0.8SS**  trans-39.8169.9167.2-68166.1152.800118.8
145E26.7Very low30.7Very low143 Ų143145.2 Ų145.267%0.66880%0.802SS**  cis-168.9164.27.3-127.1-170.6-175.400111
146K27.1Very low30.1Very low162 Ų162141.1 Ų141.170%0.70479%0.793SS**  trans88.5109.2144-89.9-172.2-177.496.70125.4
147S25.7Very low30.1Very low101 Ų101138.8 Ų138.871%0.70679%0.789SS**  56.8124.6124.4700000123
148S23.8Very low30.4Very low126 Ų126137 Ų13788%0.88179%0.786SS**  177.4154.2108.248.20000113.1
149D28Very low31Very low147 Ų147137.1 Ų137.179%0.78679%0.79SS**  trans-74.7145.8-170.2-157.90.2000114.2
150K26.2Very low31.6Very low203 Ų203133.7 Ų133.788%0.88377%0.769SS**  trans-174.7114146.6-116.1172.5-177.6170.60114
151E36.5Very low32.8Very low180 Ų180131.6 Ų131.684%0.84176%0.758SS**  trans-49.8138.8154.9-66.8176.7137.900112.4
152K27.3Very low34.4Very low206 Ų206133.1 Ų133.190%0.89676%0.756SS**  trans-158.5117.5144.3-124.3179.2-179.2-174.80110.2S154K152-S154 PolarHBondContact O-N 3.38Å
153G37.9Very low35.9Very low81 Ų81138 Ų13884%0.83575%0.754SS**  trans-54.8131.4170.500000110.8
154S27.5Very low37.7Very low101 Ų101134.6 Ų134.671%0.70672%0.716SS**  trans-106.191167.4179.30000106.6K152 S156K152-S154 PolarHBondContact O-N 3.38Å; S154-S156 PolarHBondContact O-N 2.84Å
155D40.3Very low39.5Very low153 Ų153131.5 Ų131.582%0.81870%0.7SS**  trans-57.6112.6152.8-165.419.8000106.7
156S32.1Very low41.8Very low91 Ų91132.1 Ų132.164%0.63671%0.708SS**  trans-120.193.8172.855.90000107.1S154 A158S154-S156 PolarHBondContact O-N 2.84Å; S156-A158 PolarHBondContact O-N 3.49Å
157D40.9Very low44.6Very low145 Ų145127.6 Ų127.678%0.77569%0.688SS**  trans-51.689.3156.3-100.7-33.3000108.1
158A40.8Very low47.5Very low78 Ų78126 Ų12665%0.64567%0.671SS**  trans-87.2122.3169.200000107.4S156 E160S156-A158 PolarHBondContact O-N 3.49Å; A158-E160 PolarHBondContact O-N 3.19Å
159E44.3Very low50.6Low195 Ų195128 Ų12891%0.91166%0.664SS**  trans-13.8103.4178.2-58.1-167.4162.700114.8D161E159-D161 PolarHBondContact O-N 3.41Å
160E44.2Very low53.7Low79 Ų79121.9 Ų121.937%0.36963%0.632SS.*  trans-69.6111.9168.7-65.2-164.4142.700108.7A158 E162 K165 K277A158-E160 PolarHBondContact O-N 3.19Å; E160-E162 PolarHBondContact O-N 3.38Å; E160-K165 HydrophobicContact CB-CG 4.09Å; E160-K165 WeakPolarHBondContact OE2-CG 3.37Å; E160-K277 IonicContact OE1-NZ 2.83Å; E160-K277 PolarHBondContact OE1-NZ 3.45Å
161D54.7Low56.8Low95 Ų95113.4 Ų113.451%0.50860%0.597SS.*  trans-40.1127.6160.1-82.3-42000108E159 K163 D164 K276E159-D161 PolarHBondContact O-N 3.41Å; D161-K163 PolarHBondContact O-N 3.43Å; D161-D164 HydrophobicContact CB-CB 4.38Å; D161-D164 PolarHBondContact O-N 3.49Å; D161-K276 IonicContact OD2-NZ 3.16Å; D161-K276 PolarHBondContact OD2-NZ 2.86Å
162E59Low59.3Low163 Ų163111.2 Ų111.276%0.76260%0.601SS**THydrogen-bonded Turntrans-54.5-20.4-176.9-73.3-142135.400113.7E160E160-E162 PolarHBondContact O-N 3.38Å
163K59.9Low62.3Low184 Ų184102.3 Ų102.380%0.857%0.568SS**THydrogen-bonded Turntrans-78.7-15.4176.3-65.6-178.3-179.8178.30114.9D161D161-K163 PolarHBondContact O-N 3.43Å
164D63.3Low64.9Low10 Ų1099.1 Ų99.15%0.05353%0.532CS..THydrogen-bonded Turntrans-104.8-6.9-175.5-74.3-25.9000113.1D161 D166 K167 K276D161-D164 HydrophobicContact CB-CB 4.38Å; D161-D164 PolarHBondContact O-N 3.49Å; D164-D166 VanDerWaalsContact C-N 3.3Å; D164-D166 PolarHBondContact O-N 3.32Å; D164-K167 PolarHBondContact O-N 3.5Å; D164-K167 IonicContact OD1-NZ 2.64Å; D164-K167 PolarHBondContact OD1-NZ 3.41Å; D164-K276 WeakPolarHBondContact OD2-CE 3.13Å; D164-K276 IonicContact OD2-NZ 2.74Å; D164-K276 PolarHBondContact OD2-NZ 2.98Å
165K63.1Low68Low118 Ų11894.3 Ų94.351%0.51350%0.498SS..THydrogen-bonded Turntrans-61.9-32.4176-79.2-179.6178.1171.10113.9E160 K167E160-K165 HydrophobicContact CB-CG 4.09Å; E160-K165 WeakPolarHBondContact OE2-CG 3.37Å; K165-K167 VanDerWaalsContact C-N 3.33Å
166D75.9Confident70.6Confident156 Ų15687 Ų8783%0.83446%0.46SS*.THydrogen-bonded Turntrans-87.90.4-178.3-71.7-24.2000113.4D164D164-D166 VanDerWaalsContact C-N 3.3Å; D164-D166 PolarHBondContact O-N 3.32Å
167K85.2Confident73.5Confident67 Ų6787.5 Ų87.529%0.29146%0.455SS..SBendtrans-95.6141.1-178.4-65.6-178.7-173.2160.70111.6D164 K165 E272 N274D164-K167 PolarHBondContact O-N 3.5Å; D164-K167 IonicContact OD1-NZ 2.64Å; D164-K167 PolarHBondContact OD1-NZ 3.41Å; K165-K167 VanDerWaalsContact C-N 3.33Å; K167-E272 CarbonylContact C-O 3.48Å; K167-E272 WeakPolarHBondContact CA-O 3.26Å; K167-E272 HydrophobicContact CG-CB 4.3Å; K167-N274 HydrophobicContact CB-CB 3.97Å; K167-N274 HydrophobicContact CD-CB 4.45Å
168L87.4Confident76Confident68 Ų6882 Ų8236%0.35643%0.425SS..BIsolated β-bridgetrans-66.4140.4178.6-65.2172.3000110.9P271 E272 I273 N274L168-P271 HydrophobicContact CD1-CB 3.87Å; L168-P271 HydrophobicContact CD1-CG 3.59Å; L168-P271 HydrophobicContact CG-CB 4.3Å; L168-P271 HydrophobicContact CG-CG 4.5Å; L168-E272 PolarHBondContact N-O 3.49Å; L168-I273 HydrophobicContact CB-CG2 4.16Å; L168-I273 CarbonylContact O-C 3.58Å; L168-I273 VanDerWaalsContact O-CA 3.23Å; L168-I273 WeakPolarHBondContact O-CA 3.38Å; L168-N274 PolarHBondContact O-N 2.93Å
169K88.9Confident78.4Confident169 Ų16984.5 Ų84.574%0.73544%0.435SS*.PPolyproline II helixtrans-69.3129.5170.2-173.7175.4179.3175.90108.8
170P92.2Very high80.7Confident17 Ų1779.8 Ų79.811%0.1142%0.416CS..PPolyproline II helixtrans-58.8145.1176-22.531.8000112.2G175 I273 N274 K277 I278P170-G175 VanDerWaalsContact CA-O 3.23Å; P170-G175 WeakPolarHBondContact CA-O 3.42Å; P170-I273 HydrophobicContact CB-CD1 4.29Å; P170-I273 HydrophobicContact CG-CB 4.3Å; P170-I273 HydrophobicContact CG-CD1 4.24Å; P170-N274 VanDerWaalsContact CG-O 3.23Å; P170-N274 WeakPolarHBondContact CG-O 3.13Å; P170-K277 HydrophobicContact CG-CB 4.27Å; P170-I278 HydrophobicContact CB-CG1 4.27Å; P170-I278 HydrophobicContact CG-CG1 3.97Å
171N91.6Very high83.1Confident25 Ų2576.6 Ų76.613%0.13440%0.401CS..  trans-75.9178.3171.66622.8000111.2G173 N174 G175 D177 W183N171-G173 PolarHBondContact O-N 2.93Å; N171-G173 VanDerWaalsContact O-N 3.1Å; N171-G173 PolarHBondContact OD1-N 3.08Å; N171-G173 VanDerWaalsContact OD1-N 3.14Å; N171-N174 PolarHBondContact O-N 3.46Å; N171-N174 PolarHBondContact OD1-N 3.45Å; N171-G175 PolarHBondContact N-O 3.37Å; N171-G175 PolarHBondContact OD1-N 3.14Å; N171-D177 PolarHBondContact ND2-OD1 3.45Å; N171-W183 PolarHBondContact ND2-O 2.93Å
172S87.9Confident85Confident134 Ų13477.9 Ų77.994%0.93740%0.402SS*.THydrogen-bonded Turntrans-61.4-20.8-177.857.60000114.3
173G90.8Very high86.9Confident19 Ų1970.4 Ų70.420%0.19637%0.367CS..THydrogen-bonded Turntrans-98.825174.300000112.9N171 G175 T184 Q185N171-G173 PolarHBondContact O-N 2.93Å; N171-G173 VanDerWaalsContact O-N 3.1Å; N171-G173 PolarHBondContact OD1-N 3.08Å; N171-G173 VanDerWaalsContact OD1-N 3.14Å; G173-G175 PolarHBondContact O-N 3.3Å; G173-T184 CarbonylContact O-C 3.46Å; G173-T184 WeakPolarHBondContact O-CA 3.49Å; G173-T184 WeakPolarHBondContact O-CB 3.46Å; G173-Q185 PolarHBondContact O-N 3.48Å; G173-Q185 VanDerWaalsContact O-O 3.14Å
174N93Very high88.6Confident14 Ų1464 Ų648%0.07534%0.343CS..SBendtrans5717.4176.4-60.2-51.1000115.4N171 Q185 W262 I273 I278 C279N171-N174 PolarHBondContact O-N 3.46Å; N171-N174 PolarHBondContact OD1-N 3.45Å; N174-Q185 HydrophobicContact CB-CG 4.38Å; N174-Q185 VanDerWaalsContact O-CG 3.27Å; N174-Q185 WeakPolarHBondContact O-CG 3.22Å; N174-Q185 PolarHBondContact O-NE2 2.97Å; N174-W262 HydrophobicContact CB-CE3 4.37Å; N174-W262 HydrophobicContact CB-CH2 4.27Å; N174-W262 HydrophobicContact CB-CZ3 3.74Å; N174-I273 WeakPolarHBondContact O-CD1 3.48Å; N174-I278 HydrophobicContact CB-CG1 4.15Å; N174-I278 HydrophobicContact CB-CG2 3.91Å; N174-C279 PolarHBondContact ND2-O 2.9Å; N174-C279 PolarHBondContact OD1-N 2.94Å; N174-C279 PolarHBondContact OD1-O 3.35Å
175G93.1Very high90.1Very high0 Ų063.9 Ų63.90%034%0.342CS..SBendtrans-108.5-146.4173.300000111P170 N171 G173 W183P170-G175 VanDerWaalsContact CA-O 3.23Å; P170-G175 WeakPolarHBondContact CA-O 3.42Å; N171-G175 PolarHBondContact N-O 3.37Å; N171-G175 PolarHBondContact OD1-N 3.14Å; G173-G175 PolarHBondContact O-N 3.3Å; G175-W183 CarbonylContact C-O 3.53Å; G175-W183 VanDerWaalsContact CA-O 3.27Å; G175-W183 WeakPolarHBondContact CA-O 3.46Å
176G94.3Very high91.4Very high1 Ų159.8 Ų59.81%0.0133%0.327CS..EExtended strand (participates in β ladder)trans-139.1151-175.900000113.1W183G176-W183 PolarHBondContact N-O 3.5Å; G176-W183 VanDerWaalsContact N-O 3.09Å; G176-W183 PolarHBondContact O-N 3.28Å; G176-W183 PolarHBondContact O-NE1 3.1Å
177D93.6Very high92Very high101 Ų10155.8 Ų55.854%0.5431%0.305SS..EExtended strand (participates in β ladder)trans-104.4110.4174.5-60.7-32.1000108.7N171N171-D177 PolarHBondContact ND2-OD1 3.45Å
178L92.9Very high92.2Very high29 Ų2954.3 Ų54.315%0.15230%0.304CS..  trans-103.2161.7174.9-65.7120.4000110.1N180 Y181 D270 P271L178-N180 PolarHBondContact O-N 3.21Å; L178-N180 VanDerWaalsContact O-N 3.13Å; L178-Y181 CarbonylContact C-O 3.51Å; L178-Y181 WeakPolarHBondContact CA-O 3.28Å; L178-Y181 VanDerWaalsContact CB-O 3.3Å; L178-Y181 WeakPolarHBondContact CB-O 3.38Å; L178-Y181 HydrophobicContact CD1-CD2 3.96Å; L178-Y181 HydrophobicContact CD1-CE2 3.44Å; L178-Y181 VanDerWaalsContact CD1-CE2 3.44Å; L178-Y181 PolarHBondContact N-O 3.49Å; L178-D270 HydrophobicContact CD2-CB 4.21Å; L178-P271 HydrophobicContact CD2-CG 3.76Å
179P90.8Very high92.5Very high131 Ų13154.1 Ų54.185%0.85130%0.301SS*.SBendtrans-57-31.2179.5-27.535.8000114.2
180N91.9Very high92.9Very high96 Ų9646 Ų4651%0.51327%0.266SS..SBendtrans-104.6-19.6-171-66.1-15.8000114L178 V226L178-N180 PolarHBondContact O-N 3.21Å; L178-N180 VanDerWaalsContact O-N 3.13Å; N180-V226 HydrophobicContact CB-CG1 3.72Å
181Y95Very high93.2Very high11 Ų1147.8 Ų47.84%0.04327%0.274CS..  trans-162.8160.7179.457.8-88.6000110.2L178 I192 A193 M227 I266 D270L178-Y181 CarbonylContact C-O 3.51Å; L178-Y181 WeakPolarHBondContact CA-O 3.28Å; L178-Y181 VanDerWaalsContact CB-O 3.3Å; L178-Y181 WeakPolarHBondContact CB-O 3.38Å; L178-Y181 HydrophobicContact CD1-CD2 3.96Å; L178-Y181 HydrophobicContact CD1-CE2 3.44Å; L178-Y181 VanDerWaalsContact CD1-CE2 3.44Å; L178-Y181 PolarHBondContact N-O 3.49Å; Y181-I192 HydrophobicContact CD2-CG2 3.88Å; Y181-I192 HydrophobicContact CG-CG2 4.43Å; Y181-A193 WeakPolarHBondContact CA-O 3.44Å; Y181-A193 WeakPolarHBondContact CB-O 3.25Å; Y181-M227 HydrophobicContact CD1-CB 4.43Å; Y181-M227 HydrophobicContact CD2-SD 4.46Å; Y181-M227 HydrophobicContact CE1-CB 4.02Å; Y181-M227 HydrophobicContact CE1-CG 4.05Å; Y181-M227 HydrophobicContact CE1-SD 4.14Å; Y181-M227 HydrophobicContact CE2-SD 3.93Å; Y181-I266 HydrophobicContact CE2-CG1 4.38Å; Y181-D270 VanDerWaalsContact OH-CG 3.23Å; Y181-D270 PolarHBondContact OH-OD1 3.49Å; Y181-D270 PolarHBondContact OH-OD2 2.97Å
182K95.9Very high93.5Very high123 Ų12346.6 Ų46.654%0.53527%0.268SS..EExtended strand (participates in β ladder)trans-119.5153.4172.161.9-177.6-178.8175.70109A193K182-A193 HydrophobicContact CD-CB 4.5Å; K182-A193 HydrophobicContact CG-CB 3.87Å; K182-A193 PolarHBondContact N-O 2.83Å; K182-A193 PolarHBondContact O-N 3.35Å
183W97.4Very high93.9Very high5 Ų541 Ų412%0.01923%0.229CC..EExtended strand (participates in β ladder)trans-143.2153.6175.762.3-81.2000111.1N171 G175 G176 Q185 I190 D191 I192 W263 I266 I273N171-W183 PolarHBondContact ND2-O 2.93Å; G175-W183 CarbonylContact C-O 3.53Å; G175-W183 VanDerWaalsContact CA-O 3.27Å; G175-W183 WeakPolarHBondContact CA-O 3.46Å; G176-W183 PolarHBondContact N-O 3.5Å; G176-W183 VanDerWaalsContact N-O 3.09Å; G176-W183 PolarHBondContact O-N 3.28Å; G176-W183 PolarHBondContact O-NE1 3.1Å; W183-Q185 HydrophobicContact CE3-CB 4.39Å; W183-Q185 HydrophobicContact CE3-CG 4.34Å; W183-Q185 HydrophobicContact CZ3-CB 4.11Å; W183-Q185 VanDerWaalsContact CZ3-CD 3.5Å; W183-Q185 HydrophobicContact CZ3-CG 3.72Å; W183-Q185 VanDerWaalsContact CZ3-NE2 3.35Å; W183-I190 HydrophobicContact CE3-CG2 4.1Å; W183-D191 CarbonylContact C-O 3.48Å; W183-D191 WeakPolarHBondContact CA-O 3.5Å; W183-D191 WeakPolarHBondContact CB-O 3.16Å; W183-I192 HydrophobicContact CB-CB 4.39Å; W183-I192 HydrophobicContact CB-CG1 3.99Å; W183-I192 HydrophobicContact CB-CG2 4.46Å; W183-W263 WeakPolarHBondContact CH2-O 3.49Å; W183-I266 HydrophobicContact CB-CD1 4.15Å; W183-I266 HydrophobicContact CB-CG1 4.08Å; W183-I266 HydrophobicContact CD2-CD1 3.41Å; W183-I266 VanDerWaalsContact CD2-CD1 3.41Å; W183-I266 HydrophobicContact CD2-CG1 3.54Å; W183-I266 HydrophobicContact CE3-CD1 3.4Å; W183-I266 VanDerWaalsContact CE3-CD1 3.4Å; W183-I266 HydrophobicContact CE3-CG1 4.1Å; W183-I266 HydrophobicContact CG-CD1 3.74Å; W183-I266 HydrophobicContact CG-CG1 3.5Å; W183-I266 HydrophobicContact CH2-CD1 4.41Å; W183-I266 HydrophobicContact CZ2-CD1 4.46Å; W183-I266 HydrophobicContact CZ2-CG1 4.48Å; W183-I266 HydrophobicContact CZ3-CD1 3.89Å; W183-I273 HydrophobicContact CH2-CD1 3.74Å; W183-I273 HydrophobicContact CH2-CG1 4.4Å; W183-I273 HydrophobicContact CZ2-CD1 4.1Å; W183-I273 HydrophobicContact CZ2-CG1 4.48Å; W183-I273 HydrophobicContact CZ2-CG2 4.08Å
184T95.9Very high94.2Very high51 Ų5140.1 Ų40.131%0.31322%0.22SC..EExtended strand (participates in β ladder)trans-131159.2176.151.50000108.5G173 I190 D191G173-T184 CarbonylContact O-C 3.46Å; G173-T184 WeakPolarHBondContact O-CA 3.49Å; G173-T184 WeakPolarHBondContact O-CB 3.46Å; T184-I190 WeakPolarHBondContact O-CA 3.48Å; T184-I190 WeakPolarHBondContact O-CG2 3.38Å; T184-D191 PolarHBondContact N-O 2.98Å; T184-D191 PolarHBondContact O-N 3.34Å
185Q94.6Very high94.3Very high7 Ų743 Ų433%0.03324%0.24CC..EExtended strand (participates in β ladder)trans-149.7154.918058.5170-28.100112.1G173 N174 W183 E189 I190 W262 W263G173-Q185 PolarHBondContact O-N 3.48Å; G173-Q185 VanDerWaalsContact O-O 3.14Å; N174-Q185 HydrophobicContact CB-CG 4.38Å; N174-Q185 VanDerWaalsContact O-CG 3.27Å; N174-Q185 WeakPolarHBondContact O-CG 3.22Å; N174-Q185 PolarHBondContact O-NE2 2.97Å; W183-Q185 HydrophobicContact CE3-CB 4.39Å; W183-Q185 HydrophobicContact CE3-CG 4.34Å; W183-Q185 HydrophobicContact CZ3-CB 4.11Å; W183-Q185 VanDerWaalsContact CZ3-CD 3.5Å; W183-Q185 HydrophobicContact CZ3-CG 3.72Å; W183-Q185 VanDerWaalsContact CZ3-NE2 3.35Å; Q185-E189 WeakPolarHBondContact CA-O 3.4Å; Q185-E189 WeakPolarHBondContact CB-O 3.42Å; Q185-I190 HydrophobicContact CB-CG1 3.99Å; Q185-W262 HydrophobicContact CG-CE3 3.9Å; Q185-W262 HydrophobicContact CG-CZ3 3.9Å; Q185-W263 PolarHBondContact NE2-O 3.3Å
186T91.1Very high94.2Very high31 Ų3144 Ų4419%0.1924%0.244CC..  trans-111.9-168.8159.373.60000108.8S188 E189 K256T186-S188 VanDerWaalsContact C-N 3.28Å; T186-S188 PolarHBondContact O-N 3.31Å; T186-S188 PolarHBondContact OG1-N 2.57Å; T186-S188 PolarHBondContact OG1-OG 2.8Å; T186-E189 HydrophobicContact CG2-CG 4.19Å; T186-E189 PolarHBondContact N-O 3.32Å; T186-E189 WeakPolarHBondContact OG1-CG 3.45Å; T186-E189 PolarHBondContact OG1-N 2.87Å; T186-K256 PolarHBondContact O-NZ 3.31Å
187L88.3Confident94Very high73 Ų7352.2 Ų52.238%0.38229%0.288SS..SBendtrans-67.1-29.1172.6-76.1174.3000112.9K256 K259 W262L187-K256 WeakPolarHBondContact O-CD 3.41Å; L187-K259 WeakPolarHBondContact CB-O 3.28Å; L187-K259 CarbonylContact O-C 3.48Å; L187-K259 VanDerWaalsContact O-CA 3.28Å; L187-K259 WeakPolarHBondContact O-CA 3.31Å; L187-W262 HydrophobicContact CD2-CD2 4.05Å; L187-W262 HydrophobicContact CD2-CG 4.26Å; L187-W262 HydrophobicContact CD2-CZ2 3.96Å; L187-W262 HydrophobicContact CG-CZ2 3.93Å
188S89.4Confident93.7Very high36 Ų3648.8 Ų48.825%0.25227%0.27SS..SBendtrans-99.6-29.8-174.7470000114.4T186 K256T186-S188 VanDerWaalsContact C-N 3.28Å; T186-S188 PolarHBondContact O-N 3.31Å; T186-S188 PolarHBondContact OG1-N 2.57Å; T186-S188 PolarHBondContact OG1-OG 2.8Å; S188-K256 WeakPolarHBondContact O-CB 3.42Å; S188-K256 WeakPolarHBondContact O-CG 2.98Å; S188-K256 PolarHBondContact O-N 3.03Å
189E94.7Very high93.6Very high63 Ų6358.1 Ų58.129%0.29431%0.31SS..EExtended strand (participates in β ladder)trans-140.2164.3-16652.8-176.9-162.200112.2Q185 T186 H253 L254Q185-E189 WeakPolarHBondContact CA-O 3.4Å; Q185-E189 WeakPolarHBondContact CB-O 3.42Å; T186-E189 HydrophobicContact CG2-CG 4.19Å; T186-E189 PolarHBondContact N-O 3.32Å; T186-E189 WeakPolarHBondContact OG1-CG 3.45Å; T186-E189 PolarHBondContact OG1-N 2.87Å; E189-H253 IonicContact OE2-CE1 3.28Å; E189-H253 PolarHBondContact OE2-CE1 2.97Å; E189-H253 VanDerWaalsContact OE2-CE1 3.31Å; E189-H253 IonicContact OE2-NE2 3.67Å; E189-L254 CarbonylContact C-O 3.51Å; E189-L254 WeakPolarHBondContact CA-O 3.35Å
190I97.4Very high93.5Very high0 Ų057.1 Ų57.10%029%0.292CS..EExtended strand (participates in β ladder)trans-136.5133176.3-55.3-177.4000108.8W183 T184 Q185 I192 H253 L254 K256 W263 I266W183-I190 HydrophobicContact CE3-CG2 4.1Å; T184-I190 WeakPolarHBondContact O-CA 3.48Å; T184-I190 WeakPolarHBondContact O-CG2 3.38Å; Q185-I190 HydrophobicContact CB-CG1 3.99Å; I190-I192 HydrophobicContact CG2-CD1 4.47Å; I190-I192 HydrophobicContact CG2-CG1 3.92Å; I190-H253 WeakPolarHBondContact O-CA 3.49Å; I190-L254 HydrophobicContact CB-CB 4.25Å; I190-L254 PolarHBondContact N-O 3.1Å; I190-L254 PolarHBondContact O-N 3.43Å; I190-K256 HydrophobicContact CG1-CD 4.46Å; I190-K256 HydrophobicContact CG1-CG 4.37Å; I190-W263 HydrophobicContact CD1-CB 4.4Å; I190-W263 HydrophobicContact CD1-CD2 3.42Å; I190-W263 VanDerWaalsContact CD1-CD2 3.42Å; I190-W263 HydrophobicContact CD1-CE3 3.22Å; I190-W263 HydrophobicContact CD1-CG 3.96Å; I190-W263 HydrophobicContact CD1-CH2 4.19Å; I190-W263 HydrophobicContact CD1-CZ2 4.34Å; I190-W263 HydrophobicContact CD1-CZ3 3.65Å; I190-I266 HydrophobicContact CD1-CD1 4.02Å; I190-I266 HydrophobicContact CG2-CD1 3.53Å
191D97.6Very high93.6Very high54 Ų5461.1 Ų61.129%0.28930%0.3SS..EExtended strand (participates in β ladder)trans-113.7127.1170.8-61.4-65.2000109.9W183 T184 H253W183-D191 CarbonylContact C-O 3.48Å; W183-D191 WeakPolarHBondContact CA-O 3.5Å; W183-D191 WeakPolarHBondContact CB-O 3.16Å; T184-D191 PolarHBondContact N-O 2.98Å; T184-D191 PolarHBondContact O-N 3.34Å; D191-H253 IonicContact OD1-CE1 2.7Å; D191-H253 IonicContact OD1-CG 3.7Å; D191-H253 IonicContact OD1-ND1 2.81Å; D191-H253 PolarHBondContact OD1-ND1 3.45Å
192I97.8Very high93.5Very high0 Ų060.9 Ų60.90%030%0.3CS..EExtended strand (participates in β ladder)trans-117.1127.8-178.4-52.9169.3000108Y181 W183 I190 V194 I216 M227 T251 V252 L254 I266Y181-I192 HydrophobicContact CD2-CG2 3.88Å; Y181-I192 HydrophobicContact CG-CG2 4.43Å; W183-I192 HydrophobicContact CB-CB 4.39Å; W183-I192 HydrophobicContact CB-CG1 3.99Å; W183-I192 HydrophobicContact CB-CG2 4.46Å; I190-I192 HydrophobicContact CG2-CD1 4.47Å; I190-I192 HydrophobicContact CG2-CG1 3.92Å; I192-V194 HydrophobicContact CG2-CG2 4.02Å; I192-I216 HydrophobicContact CD1-CD1 4.05Å; I192-M227 HydrophobicContact CD1-CE 4.07Å; I192-M227 HydrophobicContact CD1-SD 4.34Å; I192-M227 HydrophobicContact CG2-CE 4.22Å; I192-M227 HydrophobicContact CG2-SD 4.44Å; I192-T251 CarbonylContact O-C 3.57Å; I192-T251 VanDerWaalsContact O-CA 3.24Å; I192-T251 WeakPolarHBondContact O-CA 3.49Å; I192-V252 HydrophobicContact CB-CB 4.3Å; I192-V252 PolarHBondContact N-O 3.47Å; I192-V252 PolarHBondContact O-N 3.02Å; I192-L254 HydrophobicContact CD1-CD1 3.71Å; I192-L254 HydrophobicContact CD1-CG 4.34Å; I192-I266 HydrophobicContact CD1-CD1 4.33Å; I192-I266 HydrophobicContact CD1-CG1 4.35Å; I192-I266 HydrophobicContact CD1-CG2 3.75Å; I192-I266 HydrophobicContact CG1-CD1 4.38Å
193A96.8Very high93.4Very high16 Ų1660.6 Ų60.613%0.13230%0.298CS..EExtended strand (participates in β ladder)trans-115115.2175.400000110.4Y181 K182 P195 V249Y181-A193 WeakPolarHBondContact CA-O 3.44Å; Y181-A193 WeakPolarHBondContact CB-O 3.25Å; K182-A193 HydrophobicContact CD-CB 4.5Å; K182-A193 HydrophobicContact CG-CB 3.87Å; K182-A193 PolarHBondContact N-O 2.83Å; K182-A193 PolarHBondContact O-N 3.35Å; A193-P195 WeakPolarHBondContact O-CD 3.49Å; A193-V249 HydrophobicContact CB-CG1 4.03Å
194V96.3Very high93.2Very high0 Ų062.3 Ų62.30%032%0.318CS..EExtended strand (participates in β ladder)trans-108.199-179.5-170.70000109.4I192 F196 V218 V226 V250I192-V194 HydrophobicContact CG2-CG2 4.02Å; V194-F196 HydrophobicContact CB-CE2 4.17Å; V194-F196 HydrophobicContact CG1-CD2 4.42Å; V194-F196 HydrophobicContact CG1-CE2 3.72Å; V194-F196 HydrophobicContact CG1-CZ 3.8Å; V194-F196 WeakPolarHBondContact O-CD2 3.49Å; V194-V218 HydrophobicContact CB-CG1 4.39Å; V194-V218 HydrophobicContact CG2-CG1 4.01Å; V194-V226 HydrophobicContact CG1-CB 4.08Å; V194-V226 HydrophobicContact CG1-CG1 3.73Å; V194-V226 HydrophobicContact CG1-CG2 4.49Å; V194-V250 PolarHBondContact N-O 2.82Å; V194-V250 PolarHBondContact O-N 3.49Å
195P94.6Very high93.1Very high75 Ų7568.5 Ų68.549%0.48734%0.336SS..EExtended strand (participates in β ladder)trans-75.5137.6176.431-33.6000111.1A193 V249A193-P195 WeakPolarHBondContact O-CD 3.49Å; P195-V249 HydrophobicContact CB-CG2 4.33Å
196F92.8Very high93Very high21 Ų2170.1 Ų70.19%0.09234%0.344CS..  trans-117.8120.8174.4-72-82.9000110.1V194 V198 I202 L220 V226 K248 V250V194-F196 HydrophobicContact CB-CE2 4.17Å; V194-F196 HydrophobicContact CG1-CD2 4.42Å; V194-F196 HydrophobicContact CG1-CE2 3.72Å; V194-F196 HydrophobicContact CG1-CZ 3.8Å; V194-F196 WeakPolarHBondContact O-CD2 3.49Å; F196-V198 HydrophobicContact CB-CG2 4.48Å; F196-V198 PolarHBondContact O-N 3.26Å; F196-V198 VanDerWaalsContact O-N 3.1Å; F196-I202 HydrophobicContact CB-CD1 3.48Å; F196-I202 VanDerWaalsContact CB-CD1 3.48Å; F196-I202 HydrophobicContact CD2-CD1 3.98Å; F196-I202 HydrophobicContact CG-CD1 3.95Å; F196-L220 HydrophobicContact CD1-CD1 3.69Å; F196-L220 HydrophobicContact CD1-CD2 4.15Å; F196-L220 HydrophobicContact CD1-CG 3.61Å; F196-L220 HydrophobicContact CE1-CD1 4.14Å; F196-L220 HydrophobicContact CE1-CD2 4.24Å; F196-L220 HydrophobicContact CE1-CG 3.6Å; F196-L220 HydrophobicContact CG-CD1 4.37Å; F196-L220 HydrophobicContact CG-CD2 4.38Å; F196-L220 HydrophobicContact CG-CG 4.31Å; F196-L220 HydrophobicContact CZ-CG 4.3Å; F196-V226 HydrophobicContact CD1-CG2 4.32Å; F196-V226 HydrophobicContact CE1-CB 4.48Å; F196-V226 HydrophobicContact CE1-CG2 3.4Å; F196-V226 HydrophobicContact CZ-CG2 3.88Å; F196-K248 PolarHBondContact N-O 2.85Å; F196-V250 HydrophobicContact CD2-CB 4.48Å; F196-V250 HydrophobicContact CD2-CG2 3.87Å; F196-V250 HydrophobicContact CE2-CB 3.94Å; F196-V250 HydrophobicContact CE2-CG2 3.51Å
197D88.8Confident93.2Very high173 Ų17369.3 Ų69.393%0.92534%0.339SS*.  trans-83.983.4174.6-172.121000110.7
198V88.3Confident93.6Very high29 Ų2968.5 Ų68.518%0.17634%0.337CS..  trans-123.2144.9178.2-67.70000111.5F196 F200 I202 L220F196-V198 HydrophobicContact CB-CG2 4.48Å; F196-V198 PolarHBondContact O-N 3.26Å; F196-V198 VanDerWaalsContact O-N 3.1Å; V198-F200 HydrophobicContact CB-CD1 4.1Å; V198-F200 HydrophobicContact CB-CE1 3.88Å; V198-F200 HydrophobicContact CB-CZ 4.29Å; V198-F200 HydrophobicContact CG1-CE1 4.12Å; V198-F200 HydrophobicContact CG1-CZ 4.37Å; V198-F200 HydrophobicContact CG2-CE1 4.44Å; V198-F200 HydrophobicContact CG2-CZ 4.46Å; V198-F200 WeakPolarHBondContact CG2-O 3.43Å; V198-F200 PolarHBondContact O-N 2.97Å; V198-I202 HydrophobicContact CG2-CD1 3.7Å; V198-I202 HydrophobicContact CG2-CG1 3.53Å; V198-L220 HydrophobicContact CG1-CD1 3.8Å
199K89.4Confident93.9Very high225 Ų22568 Ų6898%0.97833%0.332SS*.SBendtrans-73.8-7.2-178.4-63.7-175.8180179.40114
200F90.3Very high94Very high110 Ų11068.4 Ų68.448%0.48234%0.337SS..SBendtrans-121.4161.9-177.464.9-90.1000110.8V198 I202V198-F200 HydrophobicContact CB-CD1 4.1Å; V198-F200 HydrophobicContact CB-CE1 3.88Å; V198-F200 HydrophobicContact CB-CZ 4.29Å; V198-F200 HydrophobicContact CG1-CE1 4.12Å; V198-F200 HydrophobicContact CG1-CZ 4.37Å; V198-F200 HydrophobicContact CG2-CE1 4.44Å; V198-F200 HydrophobicContact CG2-CZ 4.46Å; V198-F200 WeakPolarHBondContact CG2-O 3.43Å; V198-F200 PolarHBondContact O-N 2.97Å; F200-I202 HydrophobicContact CE2-CG1 4.46Å; F200-I202 PolarHBondContact O-N 3.37Å
201R92.1Very high94Very high181 Ų18169.5 Ų69.568%0.68334%0.343SS*.  trans-78118175.8-166.1179.2179.8155.41110
202I93.4Very high94Very high6 Ų671.5 Ų71.53%0.03135%0.35CS..  trans-64.3137179.6-58.8175.1000110F196 V198 F200 V207 L220 I244 G247F196-I202 HydrophobicContact CB-CD1 3.48Å; F196-I202 VanDerWaalsContact CB-CD1 3.48Å; F196-I202 HydrophobicContact CD2-CD1 3.98Å; F196-I202 HydrophobicContact CG-CD1 3.95Å; V198-I202 HydrophobicContact CG2-CD1 3.7Å; V198-I202 HydrophobicContact CG2-CG1 3.53Å; F200-I202 HydrophobicContact CE2-CG1 4.46Å; F200-I202 PolarHBondContact O-N 3.37Å; I202-V207 HydrophobicContact CG2-CG2 3.23Å; I202-L220 HydrophobicContact CD1-CD2 4.26Å; I202-L220 HydrophobicContact CG2-CD2 4.39Å; I202-I244 HydrophobicContact CB-CG2 4.32Å; I202-I244 HydrophobicContact CG2-CD1 4.16Å; I202-I244 HydrophobicContact CG2-CG2 4.41Å; I202-G247 WeakPolarHBondContact CB-O 3.4Å; I202-G247 WeakPolarHBondContact CG1-O 3.44Å; I202-G247 PolarHBondContact N-O 3.41Å
203K94Very high93.9Very high116 Ų11678.1 Ų78.150%0.50438%0.375SS..  trans-121.3161171.9-59.7-175.5178.9-175.70110R205 D206K203-R205 HydrophobicContact CB-CG 4.44Å; K203-R205 PolarHBondContact O-N 3.19Å; K203-D206 WeakPolarHBondContact CB-OD2 3.28Å; K203-D206 PolarHBondContact N-OD2 2.66Å; K203-D206 VanDerWaalsContact N-OD2 3.15Å; K203-D206 WeakPolarHBondContact O-CB 3.5Å; K203-D206 PolarHBondContact O-N 3.31Å
204G92.9Very high93.9Very high42 Ų4282.1 Ų82.143%0.43339%0.387SS..G310 helixtrans-54.6-30-177.500000114.9D206 V207G204-D206 PolarHBondContact O-N 3.3Å; G204-V207 PolarHBondContact O-N 2.82Å
205R93.6Very high93.9Very high181 Ų18183.9 Ų83.968%0.68340%0.399SS*.G310 helixtrans-69.5-20176.674-173.4-179.3-174.11.5114.5K203 K221K203-R205 HydrophobicContact CB-CG 4.44Å; K203-R205 PolarHBondContact O-N 3.19Å; R205-K221 WeakPolarHBondContact O-CD 3.38Å
206D92.9Very high94.1Very high41 Ų4180.5 Ų80.522%0.21938%0.377CS..G310 helixtrans-94.3-7.5-176.2-49.6-46.9000111.3K203 G204 L220 K221K203-D206 WeakPolarHBondContact CB-OD2 3.28Å; K203-D206 PolarHBondContact N-OD2 2.66Å; K203-D206 VanDerWaalsContact N-OD2 3.15Å; K203-D206 WeakPolarHBondContact O-CB 3.5Å; K203-D206 PolarHBondContact O-N 3.31Å; G204-D206 PolarHBondContact O-N 3.3Å; D206-L220 CarbonylContact O-C 3.56Å; D206-L220 WeakPolarHBondContact O-CA 3.3Å; D206-K221 PolarHBondContact O-N 3.32Å
207V95.4Very high94.2Very high13 Ų1382.8 Ų82.88%0.07939%0.387CS..EExtended strand (participates in β ladder)trans-110.6146-177.2-174.50000109.9I202 G204 V209 L220 W242 I244 V250I202-V207 HydrophobicContact CG2-CG2 3.23Å; G204-V207 PolarHBondContact O-N 2.82Å; V207-V209 HydrophobicContact CG1-CG2 3.54Å; V207-L220 HydrophobicContact CG2-CD2 4.38Å; V207-W242 HydrophobicContact CB-CZ3 4.45Å; V207-W242 HydrophobicContact CG1-CZ3 4.37Å; V207-I244 HydrophobicContact CG2-CD1 4.05Å; V207-V250 HydrophobicContact CG1-CG1 4.33Å; V207-V250 HydrophobicContact CG1-CG2 3.96Å; V207-V250 HydrophobicContact CG2-CG2 4.05Å
208V96.3Very high94.6Very high56 Ų5674.6 Ų74.634%0.33934%0.343SS..EExtended strand (participates in β ladder)trans-118.7109.2168.6-179.10000107V218 G219 K221V208-V218 CarbonylContact O-C 3.58Å; V208-V218 WeakPolarHBondContact O-CA 3.36Å; V208-G219 PolarHBondContact N-O 2.88Å; V208-G219 PolarHBondContact O-N 3.49Å; V208-K221 HydrophobicContact CG2-CB 4.04Å; V208-K221 HydrophobicContact CG2-CG 4.33Å
209V96.9Very high95Very high25 Ų2573.3 Ų73.315%0.15234%0.336CS..EExtended strand (participates in β ladder)trans-120.1114.3170.4-179.80000107.7V207 I211 K217 V218 W242 V250 V252V207-V209 HydrophobicContact CG1-CG2 3.54Å; V209-I211 HydrophobicContact CG1-CD1 4.11Å; V209-I211 HydrophobicContact CG1-CG1 3.9Å; V209-K217 CarbonylContact C-O 3.51Å; V209-K217 VanDerWaalsContact CA-O 3.31Å; V209-K217 WeakPolarHBondContact CA-O 3.36Å; V209-V218 HydrophobicContact CG1-CG2 4.28Å; V209-V218 HydrophobicContact CG2-CG1 4.2Å; V209-V218 HydrophobicContact CG2-CG2 4.5Å; V209-W242 HydrophobicContact CB-CD2 3.89Å; V209-W242 HydrophobicContact CB-CE3 4.5Å; V209-W242 HydrophobicContact CB-CG 3.9Å; V209-W242 HydrophobicContact CG1-CB 4Å; V209-W242 HydrophobicContact CG1-CD2 4.23Å; V209-W242 HydrophobicContact CG1-CG 3.68Å; V209-W242 HydrophobicContact CG2-CD2 3.8Å; V209-W242 HydrophobicContact CG2-CE3 3.92Å; V209-W242 HydrophobicContact CG2-CG 4.06Å; V209-W242 HydrophobicContact CG2-CZ3 4.42Å; V209-V250 HydrophobicContact CG2-CG1 3.92Å; V209-V252 HydrophobicContact CG1-CG2 4.27Å
210D96.9Very high95.2Very high73 Ų7363.7 Ų63.739%0.3930%0.295SS..EExtended strand (participates in β ladder)trans-120.1115.6174.1-176.112.4000108.2Q212 I216 K217D210-Q212 PolarHBondContact OD2-NE2 3.31Å; D210-I216 CarbonylContact O-C 3.55Å; D210-I216 WeakPolarHBondContact O-CA 3.49Å; D210-K217 HydrophobicContact CB-CB 4.2Å; D210-K217 PolarHBondContact N-O 3.42Å; D210-K217 PolarHBondContact O-N 2.89Å
211I97.6Very high95.3Very high23 Ų2365.3 Ų65.312%0.11830%0.302CS..EExtended strand (participates in β ladder)trans-112.7116.1-179.9-54.8170000106.4V209 V235 V237 V252 L254V209-I211 HydrophobicContact CG1-CD1 4.11Å; V209-I211 HydrophobicContact CG1-CG1 3.9Å; I211-V235 HydrophobicContact CG2-CG2 4.33Å; I211-V237 WeakPolarHBondContact O-CG1 3.41Å; I211-V252 HydrophobicContact CD1-CG1 3.7Å; I211-V252 HydrophobicContact CG1-CG1 4.32Å; I211-L254 HydrophobicContact CD1-CD2 4.18Å; I211-L254 HydrophobicContact CG1-CD2 4.42Å; I211-L254 HydrophobicContact CG2-CD2 3.69Å
212Q97.7Very high95.2Very high95 Ų9560.7 Ų60.744%0.44431%0.31SS..EExtended strand (participates in β ladder)trans-118.1164.8174.4-58.6-175.1-6.300109.3D210 R214 S215D210-Q212 PolarHBondContact OD2-NE2 3.31Å; Q212-R214 PolarHBondContact O-N 3.36Å; Q212-S215 WeakPolarHBondContact CB-OG 3.43Å; Q212-S215 PolarHBondContact N-O 2.85Å; Q212-S215 PolarHBondContact O-N 3.49Å; Q212-S215 VanDerWaalsContact O-O 3.07Å; Q212-S215 PolarHBondContact OE1-OG 3.29Å; Q212-S215 VanDerWaalsContact OE1-OG 3.06Å
213R95.4Very high95.1Very high140 Ų14066.4 Ų66.453%0.52834%0.337SS..THydrogen-bonded Turntrans-49.7-34.3-174.8-173.3179.8-178.5112.11.7113.7E234 V235 V237 I257R213-E234 HydrophobicContact CG-CB 4.21Å; R213-E234 HydrophobicContact CG-CG 4.4Å; R213-E234 IonicContact CZ-OE2 3.38Å; R213-E234 IonicContact NE-OE1 3.99Å; R213-E234 IonicContact NE-OE2 2.63Å; R213-E234 PolarHBondContact NE-OE2 2.96Å; R213-E234 IonicContact NH2-OE2 2.84Å; R213-E234 PolarHBondContact NH2-OE2 3.38Å; R213-E234 CarbonylContact O-C 3.51Å; R213-E234 VanDerWaalsContact O-CA 3.23Å; R213-E234 WeakPolarHBondContact O-CA 3.5Å; R213-V235 PolarHBondContact O-N 3.07Å; R213-V237 HydrophobicContact CB-CG2 4.38Å; R213-V237 VanDerWaalsContact N-CG2 3.34Å; R213-I257 HydrophobicContact CG-CD1 4.49Å
214R96.3Very high95Very high99 Ų9966 Ų6637%0.37435%0.346SS..THydrogen-bonded Turntrans-136.316.5-178-148.7174.3-159.4-96.6-6.9113.6Q212 Q230 L231 E234Q212-R214 PolarHBondContact O-N 3.36Å; R214-Q230 HydrophobicContact CG-CG 4.23Å; R214-Q230 CarbonylContact O-C 3.52Å; R214-Q230 WeakPolarHBondContact O-CA 3.44Å; R214-Q230 VanDerWaalsContact O-CG 3.31Å; R214-Q230 WeakPolarHBondContact O-CG 3.38Å; R214-L231 PolarHBondContact O-N 2.63Å; R214-E234 HydrophobicContact CG-CG 4.48Å
215S97.1Very high95Very high38 Ų3866 Ų6627%0.26634%0.338SS..EExtended strand (participates in β ladder)trans-150151.7178.849.10000111.2Q212 G229Q212-S215 WeakPolarHBondContact CB-OG 3.43Å; Q212-S215 PolarHBondContact N-O 2.85Å; Q212-S215 PolarHBondContact O-N 3.49Å; Q212-S215 VanDerWaalsContact O-O 3.07Å; Q212-S215 PolarHBondContact OE1-OG 3.29Å; Q212-S215 VanDerWaalsContact OE1-OG 3.06Å; S215-G229 VanDerWaalsContact CA-O 3.3Å; S215-G229 WeakPolarHBondContact CA-O 3.46Å; S215-G229 WeakPolarHBondContact CB-O 3.27Å
216I97.2Very high95Very high4 Ų459.5 Ų59.52%0.02132%0.319CS..EExtended strand (participates in β ladder)trans-136.7144-178.6-169.4165.1000109.9I192 D210 V218 M227 E228 G229 L231 V252 L254 V267I192-I216 HydrophobicContact CD1-CD1 4.05Å; D210-I216 CarbonylContact O-C 3.55Å; D210-I216 WeakPolarHBondContact O-CA 3.49Å; I216-V218 HydrophobicContact CD1-CG2 4.24Å; I216-V218 HydrophobicContact CG1-CG2 4.06Å; I216-M227 HydrophobicContact CD1-CE 3.4Å; I216-M227 HydrophobicContact CG1-CE 3.8Å; I216-M227 HydrophobicContact CG2-CE 4.12Å; I216-M227 HydrophobicContact CG2-CG 4.24Å; I216-M227 HydrophobicContact CG2-SD 4.17Å; I216-E228 WeakPolarHBondContact O-CA 3.32Å; I216-G229 PolarHBondContact N-O 3.04Å; I216-G229 PolarHBondContact O-N 3.02Å; I216-G229 VanDerWaalsContact O-N 3.1Å; I216-L231 HydrophobicContact CB-CD2 3.89Å; I216-L231 HydrophobicContact CB-CG 4.25Å; I216-L231 HydrophobicContact CG2-CD2 3.56Å; I216-L231 HydrophobicContact CG2-CG 4.2Å; I216-V252 HydrophobicContact CD1-CG1 4.17Å; I216-L254 HydrophobicContact CD1-CD1 4.08Å; I216-L254 HydrophobicContact CD1-CD2 4.22Å; I216-V267 HydrophobicContact CG2-CG1 3.68Å
217K96.8Very high95Very high69 Ų6957.8 Ų57.830%0.331%0.31SS..EExtended strand (participates in β ladder)trans-138.2124.1171.5-173.9179.6-172.5129.70109.7V209 D210 P225 M227 E228V209-K217 CarbonylContact C-O 3.51Å; V209-K217 VanDerWaalsContact CA-O 3.31Å; V209-K217 WeakPolarHBondContact CA-O 3.36Å; D210-K217 HydrophobicContact CB-CB 4.2Å; D210-K217 PolarHBondContact N-O 3.42Å; D210-K217 PolarHBondContact O-N 2.89Å; K217-P225 HydrophobicContact CG-CB 3.97Å; K217-P225 HydrophobicContact CG-CG 4.48Å; K217-M227 CarbonylContact C-O 3.58Å; K217-M227 VanDerWaalsContact CA-O 3.29Å; K217-M227 WeakPolarHBondContact CA-O 3.2Å; K217-E228 HydrophobicContact CG-CB 4.42Å; K217-E228 HydrophobicContact CG-CG 4.36Å; K217-E228 IonicContact NZ-OE1 3.17Å; K217-E228 PolarHBondContact NZ-OE1 3.26Å; K217-E228 IonicContact NZ-OE2 3.58Å
218V97Very high94.9Very high0 Ų062.2 Ų62.20%033%0.329CS..EExtended strand (participates in β ladder)trans-134.5126.8178-176.10000109.4V194 V208 V209 I216 P225 V226 M227 V250 V252V194-V218 HydrophobicContact CB-CG1 4.39Å; V194-V218 HydrophobicContact CG2-CG1 4.01Å; V208-V218 CarbonylContact O-C 3.58Å; V208-V218 WeakPolarHBondContact O-CA 3.36Å; V209-V218 HydrophobicContact CG1-CG2 4.28Å; V209-V218 HydrophobicContact CG2-CG1 4.2Å; V209-V218 HydrophobicContact CG2-CG2 4.5Å; I216-V218 HydrophobicContact CD1-CG2 4.24Å; I216-V218 HydrophobicContact CG1-CG2 4.06Å; V218-P225 CarbonylContact O-C 3.56Å; V218-V226 PolarHBondContact O-N 3.44Å; V218-M227 HydrophobicContact CB-CB 4.4Å; V218-M227 HydrophobicContact CB-CE 3.97Å; V218-M227 HydrophobicContact CG2-CE 3.39Å; V218-M227 PolarHBondContact N-O 3.05Å; V218-M227 PolarHBondContact O-N 3.17Å; V218-M227 VanDerWaalsContact O-N 3.14Å; V218-V250 HydrophobicContact CG1-CG1 4.19Å; V218-V252 HydrophobicContact CG2-CG2 3.99Å
219G95.4Very high94.8Very high3 Ų360.5 Ų60.53%0.03132%0.323CS..EExtended strand (participates in β ladder)trans-173.9179.4178.600000113.8V208V208-G219 PolarHBondContact N-O 2.88Å; V208-G219 PolarHBondContact O-N 3.49Å
220L94Very high94.8Very high22 Ų2263.7 Ų63.712%0.11534%0.336CS..EExtended strand (participates in β ladder)trans-87.3142.6170.4-67.4174.6000110.5F196 V198 I202 D206 V207 G222 H223F196-L220 HydrophobicContact CD1-CD1 3.69Å; F196-L220 HydrophobicContact CD1-CD2 4.15Å; F196-L220 HydrophobicContact CD1-CG 3.61Å; F196-L220 HydrophobicContact CE1-CD1 4.14Å; F196-L220 HydrophobicContact CE1-CD2 4.24Å; F196-L220 HydrophobicContact CE1-CG 3.6Å; F196-L220 HydrophobicContact CG-CD1 4.37Å; F196-L220 HydrophobicContact CG-CD2 4.38Å; F196-L220 HydrophobicContact CG-CG 4.31Å; F196-L220 HydrophobicContact CZ-CG 4.3Å; V198-L220 HydrophobicContact CG1-CD1 3.8Å; I202-L220 HydrophobicContact CD1-CD2 4.26Å; I202-L220 HydrophobicContact CG2-CD2 4.39Å; D206-L220 CarbonylContact O-C 3.56Å; D206-L220 WeakPolarHBondContact O-CA 3.3Å; V207-L220 HydrophobicContact CG2-CD2 4.38Å; L220-G222 PolarHBondContact O-N 3.14Å; L220-H223 HydrophobicContact CB-CB 4.19Å; L220-H223 PolarHBondContact O-N 2.83Å
221K93.4Very high94.8Very high144 Ų14460.2 Ų60.263%0.62632%0.317SS*.THydrogen-bonded Turntrans-60.9124.6178.2-171.3173.9-177.51740110.3R205 D206 V208 H223R205-K221 WeakPolarHBondContact O-CD 3.38Å; D206-K221 PolarHBondContact O-N 3.32Å; V208-K221 HydrophobicContact CG2-CB 4.04Å; V208-K221 HydrophobicContact CG2-CG 4.33Å; K221-H223 VanDerWaalsContact C-N 3.33Å
222G89.9Confident94.7Very high84 Ų8461.9 Ų61.987%0.86632%0.324SS*.THydrogen-bonded Turntrans84.70.7-178.800000115L220L220-G222 PolarHBondContact O-N 3.14Å
223H90.9Very high94.6Very high127 Ų12759.3 Ų59.359%0.58831%0.313SS*.SBendtrans-113.7161173.6-67.8-88.5000110.8L220 K221L220-H223 HydrophobicContact CB-CB 4.19Å; L220-H223 PolarHBondContact O-N 2.83Å; K221-H223 VanDerWaalsContact C-N 3.33Å
224P91.7Very high94.7Very high108 Ų10855.6 Ų55.670%0.70130%0.302SS*.  trans-54.7138.1168.6-24.334.7000110.8
225P93.3Very high94.8Very high41 Ų4150.9 Ų50.927%0.26628%0.284SS..  trans-64140.5176.325.1-29.3000110.2K217 V218 E228K217-P225 HydrophobicContact CG-CB 3.97Å; K217-P225 HydrophobicContact CG-CG 4.48Å; V218-P225 CarbonylContact O-C 3.56Å; P225-E228 HydrophobicContact CB-CB 4.08Å; P225-E228 HydrophobicContact CG-CB 3.78Å; P225-E228 HydrophobicContact CG-CG 4.41Å; P225-E228 WeakPolarHBondContact CG-OE2 3.27Å
226V92.8Very high94.8Very high45 Ų4553.6 Ų53.627%0.27329%0.291SS..SBendtrans-74.9-34.8178.6178.80000110.4N180 V194 F196 V218N180-V226 HydrophobicContact CB-CG1 3.72Å; V194-V226 HydrophobicContact CG1-CB 4.08Å; V194-V226 HydrophobicContact CG1-CG1 3.73Å; V194-V226 HydrophobicContact CG1-CG2 4.49Å; F196-V226 HydrophobicContact CD1-CG2 4.32Å; F196-V226 HydrophobicContact CE1-CB 4.48Å; F196-V226 HydrophobicContact CE1-CG2 3.4Å; F196-V226 HydrophobicContact CZ-CG2 3.88Å; V218-V226 PolarHBondContact O-N 3.44Å
227M92.1Very high94.7Very high5 Ų555.6 Ų55.63%0.02530%0.304CS..EExtended strand (participates in β ladder)trans-133.8122.3175.7-178.3177.856.500107.9Y181 I192 I216 K217 V218 I266 V267Y181-M227 HydrophobicContact CD1-CB 4.43Å; Y181-M227 HydrophobicContact CD2-SD 4.46Å; Y181-M227 HydrophobicContact CE1-CB 4.02Å; Y181-M227 HydrophobicContact CE1-CG 4.05Å; Y181-M227 HydrophobicContact CE1-SD 4.14Å; Y181-M227 HydrophobicContact CE2-SD 3.93Å; I192-M227 HydrophobicContact CD1-CE 4.07Å; I192-M227 HydrophobicContact CD1-SD 4.34Å; I192-M227 HydrophobicContact CG2-CE 4.22Å; I192-M227 HydrophobicContact CG2-SD 4.44Å; I216-M227 HydrophobicContact CD1-CE 3.4Å; I216-M227 HydrophobicContact CG1-CE 3.8Å; I216-M227 HydrophobicContact CG2-CE 4.12Å; I216-M227 HydrophobicContact CG2-CG 4.24Å; I216-M227 HydrophobicContact CG2-SD 4.17Å; K217-M227 CarbonylContact C-O 3.58Å; K217-M227 VanDerWaalsContact CA-O 3.29Å; K217-M227 WeakPolarHBondContact CA-O 3.2Å; V218-M227 HydrophobicContact CB-CB 4.4Å; V218-M227 HydrophobicContact CB-CE 3.97Å; V218-M227 HydrophobicContact CG2-CE 3.39Å; V218-M227 PolarHBondContact N-O 3.05Å; V218-M227 PolarHBondContact O-N 3.17Å; V218-M227 VanDerWaalsContact O-N 3.14Å; M227-I266 HydrophobicContact SD-CG2 3.85Å; M227-V267 HydrophobicContact CG-CG1 4.23Å
228E94.1Very high94.7Very high106 Ų10660.6 Ų60.650%0.49533%0.328SS..EExtended strand (participates in β ladder)trans-148.1125.1174179.2168.2-140.800108.8I216 K217 P225I216-E228 WeakPolarHBondContact O-CA 3.32Å; K217-E228 HydrophobicContact CG-CB 4.42Å; K217-E228 HydrophobicContact CG-CG 4.36Å; K217-E228 IonicContact NZ-OE1 3.17Å; K217-E228 PolarHBondContact NZ-OE1 3.26Å; K217-E228 IonicContact NZ-OE2 3.58Å; P225-E228 HydrophobicContact CB-CB 4.08Å; P225-E228 HydrophobicContact CG-CB 3.78Å; P225-E228 HydrophobicContact CG-CG 4.41Å; P225-E228 WeakPolarHBondContact CG-OE2 3.27Å
229G94.4Very high94.7Very high19 Ų1964.7 Ų64.720%0.19635%0.347CS..EExtended strand (participates in β ladder)trans170.6178.117800000114.6S215 I216S215-G229 VanDerWaalsContact CA-O 3.3Å; S215-G229 WeakPolarHBondContact CA-O 3.46Å; S215-G229 WeakPolarHBondContact CB-O 3.27Å; I216-G229 PolarHBondContact N-O 3.04Å; I216-G229 PolarHBondContact O-N 3.02Å; I216-G229 VanDerWaalsContact O-N 3.1Å
230Q97.1Very high94.7Very high92 Ų9265.3 Ų65.343%0.4335%0.351SS..EExtended strand (participates in β ladder)trans-76129170.9-170.9170.734.600109.1R214 V267 T268R214-Q230 HydrophobicContact CG-CG 4.23Å; R214-Q230 CarbonylContact O-C 3.52Å; R214-Q230 WeakPolarHBondContact O-CA 3.44Å; R214-Q230 VanDerWaalsContact O-CG 3.31Å; R214-Q230 WeakPolarHBondContact O-CG 3.38Å; Q230-V267 CarbonylContact O-C 3.49Å; Q230-V267 VanDerWaalsContact O-CA 3.25Å; Q230-V267 WeakPolarHBondContact O-CA 3.41Å; Q230-T268 HydrophobicContact CB-CG2 4.33Å; Q230-T268 PolarHBondContact O-N 2.98Å
231L97.4Very high94.8Very high0 Ų067.3 Ų67.30%037%0.367CS..BIsolated β-bridgetrans-64.8152.1174.7-69.4170.2000110.5R214 I216 N233 V235 L254 W263 I266R214-L231 PolarHBondContact O-N 2.63Å; I216-L231 HydrophobicContact CB-CD2 3.89Å; I216-L231 HydrophobicContact CB-CG 4.25Å; I216-L231 HydrophobicContact CG2-CD2 3.56Å; I216-L231 HydrophobicContact CG2-CG 4.2Å; L231-N233 VanDerWaalsContact C-N 3.31Å; L231-N233 WeakPolarHBondContact CB-O 3.38Å; L231-N233 PolarHBondContact O-N 3.24Å; L231-V235 HydrophobicContact CD1-CB 4.43Å; L231-V235 HydrophobicContact CD1-CG1 3.92Å; L231-V235 HydrophobicContact CD1-CG2 3.62Å; L231-L254 HydrophobicContact CD2-CD1 4.1Å; L231-W263 HydrophobicContact CB-CH2 4.05Å; L231-W263 HydrophobicContact CB-CZ3 4.16Å; L231-W263 HydrophobicContact CD2-CH2 4.49Å; L231-W263 HydrophobicContact CD2-CZ3 4.12Å; L231-I266 CarbonylContact C-O 3.59Å; L231-I266 WeakPolarHBondContact CA-O 3.43Å; L231-I266 HydrophobicContact CD2-CG2 4.04Å
232F95.2Very high95Very high58 Ų5865.3 Ų65.325%0.25436%0.355SS..SBendtrans-55.4-46.3175.1175.4-93.3000111.9W263 S264 R265 I266F232-W263 HydrophobicContact CB-CD2 3.92Å; F232-W263 HydrophobicContact CB-CE3 3.62Å; F232-W263 HydrophobicContact CB-CG 4.43Å; F232-W263 HydrophobicContact CB-CZ3 3.98Å; F232-W263 HydrophobicContact CD1-CB 4.01Å; F232-W263 AromaticContact CD1-CD1 3.71Å; F232-W263 AromaticContact CD1-CD2 3.7Å; F232-W263 HydrophobicContact CD1-CD2 3.7Å; F232-W263 AromaticContact CD1-CE2 3.98Å; F232-W263 HydrophobicContact CD1-CE3 4.31Å; F232-W263 AromaticContact CD1-CG 3.55Å; F232-W263 HydrophobicContact CD1-CG 3.55Å; F232-W263 AromaticContact CD1-NE1 3.95Å; F232-W263 HydrophobicContact CE1-CB 4.48Å; F232-W263 HydrophobicContact CE1-CG 4.18Å; F232-W263 HydrophobicContact CG-CB 4.44Å; F232-W263 HydrophobicContact CG-CD2 4.2Å; F232-W263 HydrophobicContact CG-CE3 4.37Å; F232-W263 HydrophobicContact CG-CG 4.25Å; F232-S264 VanDerWaalsContact CE2-OG 3.31Å; F232-S264 WeakPolarHBondContact CE2-OG 3.44Å; F232-R265 HydrophobicContact CB-CG 4.5Å; F232-R265 VanDerWaalsContact CB-O 3.25Å; F232-R265 WeakPolarHBondContact CB-O 3.36Å; F232-R265 HydrophobicContact CD2-CG 3.99Å; F232-I266 PolarHBondContact N-O 3.02Å
233N96.1Very high95.3Very high41 Ų4165.1 Ų65.122%0.21933%0.334CS..SBendtrans-142.4-175.6173.5-151.1-9000112L231 E261 W263L231-N233 VanDerWaalsContact C-N 3.31Å; L231-N233 WeakPolarHBondContact CB-O 3.38Å; L231-N233 PolarHBondContact O-N 3.24Å; N233-E261 PolarHBondContact ND2-OE2 2.95Å; N233-W263 HydrophobicContact CB-CH2 4.47Å; N233-W263 HydrophobicContact CB-CZ2 3.65Å; N233-W263 WeakPolarHBondContact O-CH2 3.47Å; N233-W263 WeakPolarHBondContact O-CZ2 3.43Å
234E96.9Very high95.5Very high62 Ų6261.2 Ų61.229%0.2932%0.317SS..  trans-78.6140.2-175.2-56.6-172.1165.900113.4R213 R214 I257R213-E234 HydrophobicContact CG-CB 4.21Å; R213-E234 HydrophobicContact CG-CG 4.4Å; R213-E234 IonicContact CZ-OE2 3.38Å; R213-E234 IonicContact NE-OE1 3.99Å; R213-E234 IonicContact NE-OE2 2.63Å; R213-E234 PolarHBondContact NE-OE2 2.96Å; R213-E234 IonicContact NH2-OE2 2.84Å; R213-E234 PolarHBondContact NH2-OE2 3.38Å; R213-E234 CarbonylContact O-C 3.51Å; R213-E234 VanDerWaalsContact O-CA 3.23Å; R213-E234 WeakPolarHBondContact O-CA 3.5Å; R214-E234 HydrophobicContact CG-CG 4.48Å; E234-I257 HydrophobicContact CB-CB 4.37Å; E234-I257 HydrophobicContact CB-CD1 3.76Å; E234-I257 HydrophobicContact CB-CG1 4.21Å; E234-I257 PolarHBondContact O-N 3.32Å
235V97.4Very high95.6Very high1 Ų159.6 Ų59.61%0.00630%0.302CS..BIsolated β-bridgetrans-117.3150.9176.6-60.70000111.2I211 R213 L231 V237 L254 E255 W263I211-V235 HydrophobicContact CG2-CG2 4.33Å; R213-V235 PolarHBondContact O-N 3.07Å; L231-V235 HydrophobicContact CD1-CB 4.43Å; L231-V235 HydrophobicContact CD1-CG1 3.92Å; L231-V235 HydrophobicContact CD1-CG2 3.62Å; V235-V237 PolarHBondContact O-N 3.49Å; V235-L254 HydrophobicContact CG1-CB 4.08Å; V235-L254 HydrophobicContact CG1-CD1 4.43Å; V235-E255 CarbonylContact C-O 3.13Å; V235-E255 WeakPolarHBondContact CA-O 3.47Å; V235-E255 WeakPolarHBondContact CB-O 3.25Å; V235-W263 HydrophobicContact CG1-CH2 3.7Å; V235-W263 HydrophobicContact CG1-CZ2 4.12Å
236K97.4Very high95.3Very high94 Ų9464.6 Ų64.641%0.40933%0.327SS..  trans-8695.8174.3-169.9169.7176-169.20108.5E238 E239 S240 E255 I257K236-E238 VanDerWaalsContact C-N 3.26Å; K236-E238 PolarHBondContact O-N 2.97Å; K236-E239 HydrophobicContact CD-CB 4.38Å; K236-E239 HydrophobicContact CD-CG 4.04Å; K236-E239 WeakPolarHBondContact CD-OE2 3.37Å; K236-E239 VanDerWaalsContact CE-OE1 3.31Å; K236-E239 WeakPolarHBondContact CE-OE1 3.14Å; K236-E239 HydrophobicContact CG-CB 4.3Å; K236-E239 HydrophobicContact CG-CG 4.35Å; K236-E239 VanDerWaalsContact NZ-CD 3.28Å; K236-E239 IonicContact NZ-OE1 3.22Å; K236-E239 PolarHBondContact NZ-OE1 3.48Å; K236-E239 IonicContact NZ-OE2 3.57Å; K236-E239 PolarHBondContact O-N 2.97Å; K236-S240 PolarHBondContact O-N 3.44Å; K236-S240 VanDerWaalsContact O-N 3.14Å; K236-S240 PolarHBondContact O-OG 3.38Å; K236-E255 HydrophobicContact CB-CB 4.32Å; K236-E255 HydrophobicContact CB-CG 4.26Å; K236-E255 PolarHBondContact N-O 3.29Å; K236-I257 HydrophobicContact CB-CG1 4.25Å
237V96.3Very high95Very high47 Ų4762.5 Ų62.529%0.28532%0.315SS..G310 helixtrans-54.9-41.2-173.7-178.30000112.2I211 R213 V235 E239 S240I211-V237 WeakPolarHBondContact O-CG1 3.41Å; R213-V237 HydrophobicContact CB-CG2 4.38Å; R213-V237 VanDerWaalsContact N-CG2 3.34Å; V235-V237 PolarHBondContact O-N 3.49Å; V237-E239 PolarHBondContact O-N 3.44Å; V237-S240 WeakPolarHBondContact O-CB 3.39Å; V237-S240 PolarHBondContact O-N 2.91Å
238E96.5Very high95Very high173 Ų17368.2 Ų68.281%0.80834%0.339SS*.G310 helixtrans-68.8-18.9-177.7-47.1-53.3169.100114.3K236K236-E238 VanDerWaalsContact C-N 3.26Å; K236-E238 PolarHBondContact O-N 2.97Å
239E95.9Very high95Very high87 Ų8765.2 Ų65.241%0.40733%0.328SS..G310 helixtrans-104.11.1174.4-70-179.3-170.700111.7K236 V237 E255K236-E239 HydrophobicContact CD-CB 4.38Å; K236-E239 HydrophobicContact CD-CG 4.04Å; K236-E239 WeakPolarHBondContact CD-OE2 3.37Å; K236-E239 VanDerWaalsContact CE-OE1 3.31Å; K236-E239 WeakPolarHBondContact CE-OE1 3.14Å; K236-E239 HydrophobicContact CG-CB 4.3Å; K236-E239 HydrophobicContact CG-CG 4.35Å; K236-E239 VanDerWaalsContact NZ-CD 3.28Å; K236-E239 IonicContact NZ-OE1 3.22Å; K236-E239 PolarHBondContact NZ-OE1 3.48Å; K236-E239 IonicContact NZ-OE2 3.57Å; K236-E239 PolarHBondContact O-N 2.97Å; V237-E239 PolarHBondContact O-N 3.44Å; E239-E255 HydrophobicContact CB-CB 3.75Å; E239-E255 HydrophobicContact CB-CG 3.91Å; E239-E255 WeakPolarHBondContact OE2-CG 3.41Å
240S96Very high95.1Very high16 Ų1664.3 Ų64.311%0.11232%0.319CS..  trans-92.7143.1174.9-560000109.5K236 V237 H253 E255K236-S240 PolarHBondContact O-N 3.44Å; K236-S240 VanDerWaalsContact O-N 3.14Å; K236-S240 PolarHBondContact O-OG 3.38Å; V237-S240 WeakPolarHBondContact O-CB 3.39Å; V237-S240 PolarHBondContact O-N 2.91Å; S240-H253 CarbonylContact C-O 3.59Å; S240-H253 VanDerWaalsContact CA-O 3.26Å; S240-H253 WeakPolarHBondContact CA-O 3.13Å; S240-H253 VanDerWaalsContact CB-O 3.3Å; S240-H253 WeakPolarHBondContact CB-O 3.32Å; S240-E255 PolarHBondContact OG-N 2.94Å
241S96.4Very high95.1Very high64 Ų6461.1 Ų61.145%0.44831%0.306SS..EExtended strand (participates in β ladder)trans-143.9167.9-177.268.30000111.4H253S241-H253 PolarHBondContact N-O 3Å; S241-H253 PolarHBondContact O-N 2.97Å
242W97.6Very high95.1Very high101 Ų10161.1 Ų61.138%0.38331%0.306SS..EExtended strand (participates in β ladder)trans-144.6152.2173.666.7-86.3000110.6V207 V209 I244 V250 T251 V252V207-W242 HydrophobicContact CB-CZ3 4.45Å; V207-W242 HydrophobicContact CG1-CZ3 4.37Å; V209-W242 HydrophobicContact CB-CD2 3.89Å; V209-W242 HydrophobicContact CB-CE3 4.5Å; V209-W242 HydrophobicContact CB-CG 3.9Å; V209-W242 HydrophobicContact CG1-CB 4Å; V209-W242 HydrophobicContact CG1-CD2 4.23Å; V209-W242 HydrophobicContact CG1-CG 3.68Å; V209-W242 HydrophobicContact CG2-CD2 3.8Å; V209-W242 HydrophobicContact CG2-CE3 3.92Å; V209-W242 HydrophobicContact CG2-CG 4.06Å; V209-W242 HydrophobicContact CG2-CZ3 4.42Å; W242-I244 HydrophobicContact CE3-CG1 4.4Å; W242-I244 HydrophobicContact CZ3-CD1 4.03Å; W242-I244 HydrophobicContact CZ3-CG1 3.86Å; W242-V250 HydrophobicContact CE3-CG1 4.35Å; W242-T251 CarbonylContact C-O 3.56Å; W242-T251 WeakPolarHBondContact CA-O 3.45Å; W242-T251 WeakPolarHBondContact CB-O 3.18Å; W242-V252 HydrophobicContact CB-CB 4.46Å; W242-V252 HydrophobicContact CB-CG1 4.48Å; W242-V252 HydrophobicContact CB-CG2 4.02Å
243L96.3Very high95.3Very high80 Ų8060.3 Ų60.342%0.41930%0.303SS..EExtended strand (participates in β ladder)trans-145.4167.4-178.158.985.2000110.6D245 V250 T251L243-D245 HydrophobicContact CD1-CB 4.42Å; L243-D245 WeakPolarHBondContact CD1-OD1 3.07Å; L243-D245 VanDerWaalsContact CD1-OD2 3.26Å; L243-D245 WeakPolarHBondContact CD1-OD2 3.14Å; L243-V250 WeakPolarHBondContact O-CA 3.29Å; L243-T251 PolarHBondContact N-O 3.22Å; L243-T251 PolarHBondContact O-N 3.12Å
244I95.9Very high95.3Very high46 Ų4658.3 Ų58.324%0.23629%0.292CS..EExtended strand (participates in β ladder)trans-116.8109.3178-54.7170.5000108I202 V207 W242 V249 V250I202-I244 HydrophobicContact CB-CG2 4.32Å; I202-I244 HydrophobicContact CG2-CD1 4.16Å; I202-I244 HydrophobicContact CG2-CG2 4.41Å; V207-I244 HydrophobicContact CG2-CD1 4.05Å; W242-I244 HydrophobicContact CE3-CG1 4.4Å; W242-I244 HydrophobicContact CZ3-CD1 4.03Å; W242-I244 HydrophobicContact CZ3-CG1 3.86Å; I244-V249 CarbonylContact C-O 3.59Å; I244-V249 WeakPolarHBondContact CA-O 3.42Å; I244-V250 HydrophobicContact CG1-CG2 4.44Å
245D91.9Very high95.3Very high73 Ų7356.1 Ų56.139%0.3928%0.282SS..EExtended strand (participates in β ladder)trans-86.1129.3176.8-73-37.7000111L243 G247 K248 V249 T251L243-D245 HydrophobicContact CD1-CB 4.42Å; L243-D245 WeakPolarHBondContact CD1-OD1 3.07Å; L243-D245 VanDerWaalsContact CD1-OD2 3.26Å; L243-D245 WeakPolarHBondContact CD1-OD2 3.14Å; D245-G247 PolarHBondContact O-N 3.24Å; D245-K248 PolarHBondContact O-N 2.63Å; D245-V249 HydrophobicContact CB-CB 4.32Å; D245-V249 PolarHBondContact N-O 3.03Å; D245-V249 PolarHBondContact O-N 3.23Å; D245-T251 PolarHBondContact OD2-OG1 3.1Å
246D87.7Confident95.3Very high146 Ų14656.2 Ų56.278%0.78128%0.282SS*.THydrogen-bonded Turntrans50.215.8180-69.6-26.1000115.5K248D246-K248 PolarHBondContact O-N 3.31Å
247G87.1Confident95Very high2 Ų255.4 Ų55.42%0.02128%0.281CS..THydrogen-bonded Turntrans65.720.6-17500000114.5I202 D245I202-G247 WeakPolarHBondContact CB-O 3.4Å; I202-G247 WeakPolarHBondContact CG1-O 3.44Å; I202-G247 PolarHBondContact N-O 3.41Å; D245-G247 PolarHBondContact O-N 3.24Å
248K91.1Very high94.7Very high124 Ų12456.5 Ų56.554%0.53929%0.286SS..THydrogen-bonded Turntrans-134.2-25.2-179.5-68.6-172.5177.6-174.90114F196 D245 D246F196-K248 PolarHBondContact N-O 2.85Å; D245-K248 PolarHBondContact O-N 2.63Å; D246-K248 PolarHBondContact O-N 3.31Å
249V94.5Very high94.3Very high43 Ų4353.3 Ų53.326%0.26127%0.269SS..EExtended strand (participates in β ladder)trans-116.9129-179-175.30000108.2A193 P195 I244 D245A193-V249 HydrophobicContact CB-CG1 4.03Å; P195-V249 HydrophobicContact CB-CG2 4.33Å; I244-V249 CarbonylContact C-O 3.59Å; I244-V249 WeakPolarHBondContact CA-O 3.42Å; D245-V249 HydrophobicContact CB-CB 4.32Å; D245-V249 PolarHBondContact N-O 3.03Å; D245-V249 PolarHBondContact O-N 3.23Å
250V96.5Very high93.7Very high0 Ų057.1 Ų57.10%029%0.289CS..EExtended strand (participates in β ladder)trans-94.3119.3169.7177.60000107.2V194 F196 V207 V209 V218 W242 L243 I244 V252V194-V250 PolarHBondContact N-O 2.82Å; V194-V250 PolarHBondContact O-N 3.49Å; F196-V250 HydrophobicContact CD2-CB 4.48Å; F196-V250 HydrophobicContact CD2-CG2 3.87Å; F196-V250 HydrophobicContact CE2-CB 3.94Å; F196-V250 HydrophobicContact CE2-CG2 3.51Å; V207-V250 HydrophobicContact CG1-CG1 4.33Å; V207-V250 HydrophobicContact CG1-CG2 3.96Å; V207-V250 HydrophobicContact CG2-CG2 4.05Å; V209-V250 HydrophobicContact CG2-CG1 3.92Å; V218-V250 HydrophobicContact CG1-CG1 4.19Å; W242-V250 HydrophobicContact CE3-CG1 4.35Å; L243-V250 WeakPolarHBondContact O-CA 3.29Å; I244-V250 HydrophobicContact CG1-CG2 4.44Å; V250-V252 HydrophobicContact CG1-CG2 4.26Å
251T97.1Very high93.3Very high25 Ų2558.9 Ų58.915%0.15330%0.296CS..EExtended strand (participates in β ladder)trans-104.7128.3178.7-53.10000108.3I192 W242 L243 D245I192-T251 CarbonylContact O-C 3.57Å; I192-T251 VanDerWaalsContact O-CA 3.24Å; I192-T251 WeakPolarHBondContact O-CA 3.49Å; W242-T251 CarbonylContact C-O 3.56Å; W242-T251 WeakPolarHBondContact CA-O 3.45Å; W242-T251 WeakPolarHBondContact CB-O 3.18Å; L243-T251 PolarHBondContact N-O 3.22Å; L243-T251 PolarHBondContact O-N 3.12Å; D245-T251 PolarHBondContact OD2-OG1 3.1Å
252V97.9Very high93.1Very high0 Ų058.8 Ų58.80%029%0.285CS..EExtended strand (participates in β ladder)trans-119.8123.9179.7-1760000108.6I192 V209 I211 I216 V218 W242 V250 L254I192-V252 HydrophobicContact CB-CB 4.3Å; I192-V252 PolarHBondContact N-O 3.47Å; I192-V252 PolarHBondContact O-N 3.02Å; V209-V252 HydrophobicContact CG1-CG2 4.27Å; I211-V252 HydrophobicContact CD1-CG1 3.7Å; I211-V252 HydrophobicContact CG1-CG1 4.32Å; I216-V252 HydrophobicContact CD1-CG1 4.17Å; V218-V252 HydrophobicContact CG2-CG2 3.99Å; W242-V252 HydrophobicContact CB-CB 4.46Å; W242-V252 HydrophobicContact CB-CG1 4.48Å; W242-V252 HydrophobicContact CB-CG2 4.02Å; V250-V252 HydrophobicContact CG1-CG2 4.26Å; V252-L254 HydrophobicContact CG1-CD2 3.86Å; V252-L254 HydrophobicContact CG1-CG 4.26Å
253H98.1Very high93Very high41 Ų4154 Ų5419%0.1927%0.267CS..EExtended strand (participates in β ladder)trans-101.4126.9174.5179.879000109.4E189 I190 D191 S240 S241E189-H253 IonicContact OE2-CE1 3.28Å; E189-H253 PolarHBondContact OE2-CE1 2.97Å; E189-H253 VanDerWaalsContact OE2-CE1 3.31Å; E189-H253 IonicContact OE2-NE2 3.67Å; I190-H253 WeakPolarHBondContact O-CA 3.49Å; D191-H253 IonicContact OD1-CE1 2.7Å; D191-H253 IonicContact OD1-CG 3.7Å; D191-H253 IonicContact OD1-ND1 2.81Å; D191-H253 PolarHBondContact OD1-ND1 3.45Å; S240-H253 CarbonylContact C-O 3.59Å; S240-H253 VanDerWaalsContact CA-O 3.26Å; S240-H253 WeakPolarHBondContact CA-O 3.13Å; S240-H253 VanDerWaalsContact CB-O 3.3Å; S240-H253 WeakPolarHBondContact CB-O 3.32Å; S241-H253 PolarHBondContact N-O 3Å; S241-H253 PolarHBondContact O-N 2.97Å
254L97.7Very high92.8Very high0 Ų050.7 Ų50.70%025%0.251CS..EExtended strand (participates in β ladder)trans-120.2124.3178.3-56.4177.5000110.6E189 I190 I192 I211 I216 L231 V235 V252E189-L254 CarbonylContact C-O 3.51Å; E189-L254 WeakPolarHBondContact CA-O 3.35Å; I190-L254 HydrophobicContact CB-CB 4.25Å; I190-L254 PolarHBondContact N-O 3.1Å; I190-L254 PolarHBondContact O-N 3.43Å; I192-L254 HydrophobicContact CD1-CD1 3.71Å; I192-L254 HydrophobicContact CD1-CG 4.34Å; I211-L254 HydrophobicContact CD1-CD2 4.18Å; I211-L254 HydrophobicContact CG1-CD2 4.42Å; I211-L254 HydrophobicContact CG2-CD2 3.69Å; I216-L254 HydrophobicContact CD1-CD1 4.08Å; I216-L254 HydrophobicContact CD1-CD2 4.22Å; L231-L254 HydrophobicContact CD2-CD1 4.1Å; V235-L254 HydrophobicContact CG1-CB 4.08Å; V235-L254 HydrophobicContact CG1-CD1 4.43Å; V252-L254 HydrophobicContact CG1-CD2 3.86Å; V252-L254 HydrophobicContact CG1-CG 4.26Å
255E97.2Very high92.8Very high16 Ų1651.3 Ų51.38%0.07525%0.25CS..EExtended strand (participates in β ladder)trans-89.5122173.5-177.366.3-170.400109.9V235 K236 E239 S240 K259V235-E255 CarbonylContact C-O 3.13Å; V235-E255 WeakPolarHBondContact CA-O 3.47Å; V235-E255 WeakPolarHBondContact CB-O 3.25Å; K236-E255 HydrophobicContact CB-CB 4.32Å; K236-E255 HydrophobicContact CB-CG 4.26Å; K236-E255 PolarHBondContact N-O 3.29Å; E239-E255 HydrophobicContact CB-CB 3.75Å; E239-E255 HydrophobicContact CB-CG 3.91Å; E239-E255 WeakPolarHBondContact OE2-CG 3.41Å; S240-E255 PolarHBondContact OG-N 2.94Å; E255-K259 WeakPolarHBondContact OE1-CE 3.35Å; E255-K259 IonicContact OE1-NZ 2.61Å; E255-K259 PolarHBondContact OE1-NZ 3.18Å
256K95.9Very high93Very high2 Ų247.9 Ų47.91%0.00923%0.232CC..BIsolated β-bridgetrans-73.6140.9179.1-60.6170.8179.1176.80110.1T186 L187 S188 I190 E261 W263T186-K256 PolarHBondContact O-NZ 3.31Å; L187-K256 WeakPolarHBondContact O-CD 3.41Å; S188-K256 WeakPolarHBondContact O-CB 3.42Å; S188-K256 WeakPolarHBondContact O-CG 2.98Å; S188-K256 PolarHBondContact O-N 3.03Å; I190-K256 HydrophobicContact CG1-CD 4.46Å; I190-K256 HydrophobicContact CG1-CG 4.37Å; K256-E261 PolarHBondContact NZ-O 3.4Å; K256-W263 HydrophobicContact CG-CZ2 4.36Å
257I92.2Very high93.3Very high77 Ų7741 Ų4140%0.39520%0.195SC..SBendtrans-69.9-43.1166.1-64.5-171.2000110R213 E234 K236 K259R213-I257 HydrophobicContact CG-CD1 4.49Å; E234-I257 HydrophobicContact CB-CB 4.37Å; E234-I257 HydrophobicContact CB-CD1 3.76Å; E234-I257 HydrophobicContact CB-CG1 4.21Å; E234-I257 PolarHBondContact O-N 3.32Å; K236-I257 HydrophobicContact CB-CG1 4.25Å; I257-K259 PolarHBondContact O-N 2.93Å
258N89.2Confident93.6Very high70 Ų7043.9 Ų43.937%0.37421%0.212SC..SBendtrans-90.195.4174.7-173.14.9000110.6M260 E261N258-M260 PolarHBondContact O-N 3.19Å; N258-M260 VanDerWaalsContact O-N 3.14Å; N258-M260 PolarHBondContact OD1-N 3.47Å; N258-E261 HydrophobicContact CB-CB 4.39Å; N258-E261 WeakPolarHBondContact ND2-CB 3.32Å; N258-E261 PolarHBondContact ND2-OE2 3.23Å
259K88Confident93.5Very high106 Ų10643.1 Ų43.146%0.46122%0.218SC..THydrogen-bonded Turntrans-78.616.8-178.3-52.6-166.1-173.1-154.60114.7L187 E255 I257L187-K259 WeakPolarHBondContact CB-O 3.28Å; L187-K259 CarbonylContact O-C 3.48Å; L187-K259 VanDerWaalsContact O-CA 3.28Å; L187-K259 WeakPolarHBondContact O-CA 3.31Å; E255-K259 WeakPolarHBondContact OE1-CE 3.35Å; E255-K259 IonicContact OE1-NZ 2.61Å; E255-K259 PolarHBondContact OE1-NZ 3.18Å; I257-K259 PolarHBondContact O-N 2.93Å
260M82.9Confident93.4Very high167 Ų16742.1 Ų42.182%0.82321%0.211SC*.THydrogen-bonded Turntrans-130.627-179.7-66.5-173177.300111.8N258N258-M260 PolarHBondContact O-N 3.19Å; N258-M260 VanDerWaalsContact O-N 3.14Å; N258-M260 PolarHBondContact OD1-N 3.47Å
261E87.9Confident93.2Very high54 Ų5445.2 Ų45.225%0.25223%0.232SC..  trans-134.2125.4-173.6-174.8171.3-151.800112.4N233 K256 N258N233-E261 PolarHBondContact ND2-OE2 2.95Å; K256-E261 PolarHBondContact NZ-O 3.4Å; N258-E261 HydrophobicContact CB-CB 4.39Å; N258-E261 WeakPolarHBondContact ND2-CB 3.32Å; N258-E261 PolarHBondContact ND2-OE2 3.23Å
262W91.9Very high93Very high61 Ų6146.7 Ų46.723%0.23124%0.237CC..  trans-81124.8169.3-67.2110.5000109.7N174 Q185 L187 I278 P280N174-W262 HydrophobicContact CB-CE3 4.37Å; N174-W262 HydrophobicContact CB-CH2 4.27Å; N174-W262 HydrophobicContact CB-CZ3 3.74Å; Q185-W262 HydrophobicContact CG-CE3 3.9Å; Q185-W262 HydrophobicContact CG-CZ3 3.9Å; L187-W262 HydrophobicContact CD2-CD2 4.05Å; L187-W262 HydrophobicContact CD2-CG 4.26Å; L187-W262 HydrophobicContact CD2-CZ2 3.96Å; L187-W262 HydrophobicContact CG-CZ2 3.93Å; W262-I278 HydrophobicContact CB-CD1 3.88Å; W262-I278 HydrophobicContact CD2-CD1 3.98Å; W262-I278 HydrophobicContact CD2-CG2 3.78Å; W262-I278 HydrophobicContact CE3-CD1 3.95Å; W262-I278 HydrophobicContact CE3-CG2 3.98Å; W262-I278 HydrophobicContact CG-CD1 3.96Å; W262-I278 HydrophobicContact CG-CG2 4.39Å; W262-I278 HydrophobicContact CH2-CG2 3.95Å; W262-I278 HydrophobicContact CZ2-CG2 3.75Å; W262-I278 HydrophobicContact CZ3-CG2 4.06Å; W262-P280 HydrophobicContact CZ2-CB 4.49Å
263W95Very high92.7Very high1 Ų146.8 Ų46.80%0.00424%0.237CC..  trans-82.6135.4177.4-73.924.9000109.4W183 Q185 I190 L231 F232 N233 V235 K256 R265 I266W183-W263 WeakPolarHBondContact CH2-O 3.49Å; Q185-W263 PolarHBondContact NE2-O 3.3Å; I190-W263 HydrophobicContact CD1-CB 4.4Å; I190-W263 HydrophobicContact CD1-CD2 3.42Å; I190-W263 VanDerWaalsContact CD1-CD2 3.42Å; I190-W263 HydrophobicContact CD1-CE3 3.22Å; I190-W263 HydrophobicContact CD1-CG 3.96Å; I190-W263 HydrophobicContact CD1-CH2 4.19Å; I190-W263 HydrophobicContact CD1-CZ2 4.34Å; I190-W263 HydrophobicContact CD1-CZ3 3.65Å; L231-W263 HydrophobicContact CB-CH2 4.05Å; L231-W263 HydrophobicContact CB-CZ3 4.16Å; L231-W263 HydrophobicContact CD2-CH2 4.49Å; L231-W263 HydrophobicContact CD2-CZ3 4.12Å; F232-W263 HydrophobicContact CB-CD2 3.92Å; F232-W263 HydrophobicContact CB-CE3 3.62Å; F232-W263 HydrophobicContact CB-CG 4.43Å; F232-W263 HydrophobicContact CB-CZ3 3.98Å; F232-W263 HydrophobicContact CD1-CB 4.01Å; F232-W263 AromaticContact CD1-CD1 3.71Å; F232-W263 AromaticContact CD1-CD2 3.7Å; F232-W263 HydrophobicContact CD1-CD2 3.7Å; F232-W263 AromaticContact CD1-CE2 3.98Å; F232-W263 HydrophobicContact CD1-CE3 4.31Å; F232-W263 AromaticContact CD1-CG 3.55Å; F232-W263 HydrophobicContact CD1-CG 3.55Å; F232-W263 AromaticContact CD1-NE1 3.95Å; F232-W263 HydrophobicContact CE1-CB 4.48Å; F232-W263 HydrophobicContact CE1-CG 4.18Å; F232-W263 HydrophobicContact CG-CB 4.44Å; F232-W263 HydrophobicContact CG-CD2 4.2Å; F232-W263 HydrophobicContact CG-CE3 4.37Å; F232-W263 HydrophobicContact CG-CG 4.25Å; N233-W263 HydrophobicContact CB-CH2 4.47Å; N233-W263 HydrophobicContact CB-CZ2 3.65Å; N233-W263 WeakPolarHBondContact O-CH2 3.47Å; N233-W263 WeakPolarHBondContact O-CZ2 3.43Å; V235-W263 HydrophobicContact CG1-CH2 3.7Å; V235-W263 HydrophobicContact CG1-CZ2 4.12Å; K256-W263 HydrophobicContact CG-CZ2 4.36Å; W263-R265 VanDerWaalsContact C-N 3.34Å; W263-I266 HydrophobicContact CE3-CD1 4.49Å
264S94Very high92.2Very high11 Ų1145.1 Ų45.18%0.07723%0.23CC..SBendtrans-81.8-16.8173.762.10000112.5F232 E272 I273F232-S264 VanDerWaalsContact CE2-OG 3.31Å; F232-S264 WeakPolarHBondContact CE2-OG 3.44Å; S264-E272 CarbonylContact O-C 3.56Å; S264-E272 WeakPolarHBondContact O-CA 3.39Å; S264-E272 PolarHBondContact OG-OE1 2.92Å; S264-I273 WeakPolarHBondContact O-CG1 3.3Å; S264-I273 PolarHBondContact O-N 3.37Å
265R94.9Very high91.7Very high59 Ų5947.9 Ų47.922%0.22325%0.247CC..  trans-163.2165.7-179.557.4-178.3110-174.87.5110.6F232 W263 V267 T268 D270 E272F232-R265 HydrophobicContact CB-CG 4.5Å; F232-R265 VanDerWaalsContact CB-O 3.25Å; F232-R265 WeakPolarHBondContact CB-O 3.36Å; F232-R265 HydrophobicContact CD2-CG 3.99Å; W263-R265 VanDerWaalsContact C-N 3.34Å; R265-V267 WeakPolarHBondContact CD-O 3.49Å; R265-V267 WeakPolarHBondContact CG-O 3.4Å; R265-T268 PolarHBondContact NH1-O 3.47Å; R265-D270 HydrophobicContact CB-CB 4.17Å; R265-D270 WeakPolarHBondContact CD-O 3.33Å; R265-D270 PolarHBondContact NH1-O 3.34Å; R265-E272 IonicContact CZ-OE1 3.65Å; R265-E272 VanDerWaalsContact CZ-OE1 3.28Å; R265-E272 IonicContact NE-OE1 3.9Å; R265-E272 PolarHBondContact NE-OE1 2.9Å; R265-E272 VanDerWaalsContact NE-OE1 3.16Å; R265-E272 IonicContact NH2-OE1 2.73Å; R265-E272 PolarHBondContact NH2-OE1 3.35Å
266I95.9Very high90.9Very high0 Ų053.6 Ų53.60%027%0.272CS..SBendtrans-84.2-59.7175.7-61.1-53.3000110.8Y181 W183 I190 I192 M227 L231 F232 W263Y181-I266 HydrophobicContact CE2-CG1 4.38Å; W183-I266 HydrophobicContact CB-CD1 4.15Å; W183-I266 HydrophobicContact CB-CG1 4.08Å; W183-I266 HydrophobicContact CD2-CD1 3.41Å; W183-I266 VanDerWaalsContact CD2-CD1 3.41Å; W183-I266 HydrophobicContact CD2-CG1 3.54Å; W183-I266 HydrophobicContact CE3-CD1 3.4Å; W183-I266 VanDerWaalsContact CE3-CD1 3.4Å; W183-I266 HydrophobicContact CE3-CG1 4.1Å; W183-I266 HydrophobicContact CG-CD1 3.74Å; W183-I266 HydrophobicContact CG-CG1 3.5Å; W183-I266 HydrophobicContact CH2-CD1 4.41Å; W183-I266 HydrophobicContact CZ2-CD1 4.46Å; W183-I266 HydrophobicContact CZ2-CG1 4.48Å; W183-I266 HydrophobicContact CZ3-CD1 3.89Å; I190-I266 HydrophobicContact CD1-CD1 4.02Å; I190-I266 HydrophobicContact CG2-CD1 3.53Å; I192-I266 HydrophobicContact CD1-CD1 4.33Å; I192-I266 HydrophobicContact CD1-CG1 4.35Å; I192-I266 HydrophobicContact CD1-CG2 3.75Å; I192-I266 HydrophobicContact CG1-CD1 4.38Å; M227-I266 HydrophobicContact SD-CG2 3.85Å; L231-I266 CarbonylContact C-O 3.59Å; L231-I266 WeakPolarHBondContact CA-O 3.43Å; L231-I266 HydrophobicContact CD2-CG2 4.04Å; F232-I266 PolarHBondContact N-O 3.02Å; W263-I266 HydrophobicContact CE3-CD1 4.49Å
267V95.1Very high90.3Very high2 Ų258.2 Ų58.21%0.01229%0.291CS..BIsolated β-bridgetrans-105.8150.2175.3-65.50000111I216 M227 Q230 R265 T269 D270I216-V267 HydrophobicContact CG2-CG1 3.68Å; M227-V267 HydrophobicContact CG-CG1 4.23Å; Q230-V267 CarbonylContact O-C 3.49Å; Q230-V267 VanDerWaalsContact O-CA 3.25Å; Q230-V267 WeakPolarHBondContact O-CA 3.41Å; R265-V267 WeakPolarHBondContact CD-O 3.49Å; R265-V267 WeakPolarHBondContact CG-O 3.4Å; V267-T269 WeakPolarHBondContact CG2-OG1 3.48Å; V267-T269 PolarHBondContact O-N 2.87Å; V267-T269 VanDerWaalsContact O-N 3.07Å; V267-D270 HydrophobicContact CG2-CB 4.24Å; V267-D270 VanDerWaalsContact CG2-OD1 3.27Å; V267-D270 WeakPolarHBondContact CG2-OD1 3.34Å; V267-D270 VanDerWaalsContact CG2-OD2 3.28Å; V267-D270 WeakPolarHBondContact CG2-OD2 3.25Å; V267-D270 WeakPolarHBondContact O-CB 3.48Å; V267-D270 PolarHBondContact O-N 2.93Å; V267-D270 VanDerWaalsContact O-N 3.07Å
268T91.6Very high89.9Confident62 Ų6255.5 Ų55.538%0.3828%0.278SS..THydrogen-bonded Turntrans-60.3-20.4-177.552.60000114.2Q230 R265Q230-T268 HydrophobicContact CB-CG2 4.33Å; Q230-T268 PolarHBondContact O-N 2.98Å; R265-T268 PolarHBondContact NH1-O 3.47Å
269T90.6Very high89.2Confident109 Ų10956 Ų5667%0.66929%0.286SS*.THydrogen-bonded Turntrans-83.1-15.1178.850.50000114V267V267-T269 WeakPolarHBondContact CG2-OG1 3.48Å; V267-T269 PolarHBondContact O-N 2.87Å; V267-T269 VanDerWaalsContact O-N 3.07Å
270D91.8Very high88.5Confident21 Ų2153.9 Ų53.911%0.11228%0.283CS..SBendtrans-77.2157-177.2-73.1-13.3000112.7L178 Y181 R265 V267L178-D270 HydrophobicContact CD2-CB 4.21Å; Y181-D270 VanDerWaalsContact OH-CG 3.23Å; Y181-D270 PolarHBondContact OH-OD1 3.49Å; Y181-D270 PolarHBondContact OH-OD2 2.97Å; R265-D270 HydrophobicContact CB-CB 4.17Å; R265-D270 WeakPolarHBondContact CD-O 3.33Å; R265-D270 PolarHBondContact NH1-O 3.34Å; V267-D270 HydrophobicContact CG2-CB 4.24Å; V267-D270 VanDerWaalsContact CG2-OD1 3.27Å; V267-D270 WeakPolarHBondContact CG2-OD1 3.34Å; V267-D270 VanDerWaalsContact CG2-OD2 3.28Å; V267-D270 WeakPolarHBondContact CG2-OD2 3.25Å; V267-D270 WeakPolarHBondContact O-CB 3.48Å; V267-D270 PolarHBondContact O-N 2.93Å; V267-D270 VanDerWaalsContact O-N 3.07Å
271P91.8Very high87.5Confident66 Ų6654.2 Ų54.243%0.42928%0.282SS..PPolyproline II helixtrans-60.1147.8164.227.4-36.2000111.8L168 L178L168-P271 HydrophobicContact CD1-CB 3.87Å; L168-P271 HydrophobicContact CD1-CG 3.59Å; L168-P271 HydrophobicContact CG-CB 4.3Å; L168-P271 HydrophobicContact CG-CG 4.5Å; L178-P271 HydrophobicContact CD2-CG 3.76Å
272E92.8Very high85.9Confident55 Ų5556.4 Ų56.426%0.25730%0.296SS..PPolyproline II helixtrans-85144177.1-68.6-167.8156.200112.6K167 L168 S264 R265K167-E272 CarbonylContact C-O 3.48Å; K167-E272 WeakPolarHBondContact CA-O 3.26Å; K167-E272 HydrophobicContact CG-CB 4.3Å; L168-E272 PolarHBondContact N-O 3.49Å; S264-E272 CarbonylContact O-C 3.56Å; S264-E272 WeakPolarHBondContact O-CA 3.39Å; S264-E272 PolarHBondContact OG-OE1 2.92Å; R265-E272 IonicContact CZ-OE1 3.65Å; R265-E272 VanDerWaalsContact CZ-OE1 3.28Å; R265-E272 IonicContact NE-OE1 3.9Å; R265-E272 PolarHBondContact NE-OE1 2.9Å; R265-E272 VanDerWaalsContact NE-OE1 3.16Å; R265-E272 IonicContact NH2-OE1 2.73Å; R265-E272 PolarHBondContact NH2-OE1 3.35Å
273I92.3Very high84Confident3 Ų355.8 Ų55.82%0.01530%0.301CS..BIsolated β-bridgetrans-81.9151.3162.571.3173.4000110.6L168 P170 N174 W183 S264 T275 I278L168-I273 HydrophobicContact CB-CG2 4.16Å; L168-I273 CarbonylContact O-C 3.58Å; L168-I273 VanDerWaalsContact O-CA 3.23Å; L168-I273 WeakPolarHBondContact O-CA 3.38Å; P170-I273 HydrophobicContact CB-CD1 4.29Å; P170-I273 HydrophobicContact CG-CB 4.3Å; P170-I273 HydrophobicContact CG-CD1 4.24Å; N174-I273 WeakPolarHBondContact O-CD1 3.48Å; W183-I273 HydrophobicContact CH2-CD1 3.74Å; W183-I273 HydrophobicContact CH2-CG1 4.4Å; W183-I273 HydrophobicContact CZ2-CD1 4.1Å; W183-I273 HydrophobicContact CZ2-CG1 4.48Å; W183-I273 HydrophobicContact CZ2-CG2 4.08Å; S264-I273 WeakPolarHBondContact O-CG1 3.3Å; S264-I273 PolarHBondContact O-N 3.37Å; I273-T275 HydrophobicContact CG1-CG2 4.32Å; I273-T275 PolarHBondContact O-N 2.93Å; I273-T275 VanDerWaalsContact O-N 3.12Å; I273-I278 HydrophobicContact CD1-CD1 4.16Å
274N88.4Confident82.1Confident6 Ų662.5 Ų62.53%0.03233%0.33CS..  trans-78.196.4172.4-171.2-16.8000110.3K167 L168 P170 K276 K277K167-N274 HydrophobicContact CB-CB 3.97Å; K167-N274 HydrophobicContact CD-CB 4.45Å; L168-N274 PolarHBondContact O-N 2.93Å; P170-N274 VanDerWaalsContact CG-O 3.23Å; P170-N274 WeakPolarHBondContact CG-O 3.13Å; N274-K276 PolarHBondContact O-N 3.32Å; N274-K276 VanDerWaalsContact O-N 3.16Å; N274-K276 VanDerWaalsContact OD1-CB 3.31Å; N274-K276 WeakPolarHBondContact OD1-CB 3.31Å; N274-K276 PolarHBondContact OD1-N 3.48Å; N274-K276 VanDerWaalsContact OD1-N 3.08Å; N274-K277 HydrophobicContact CB-CD 4.48Å; N274-K277 HydrophobicContact CB-CG 4.44Å; N274-K277 PolarHBondContact O-N 3.37Å
275T86.4Confident80.1Confident58 Ų5864 Ų6436%0.35634%0.337SS..G310 helixtrans-64.1-17.1-179.155.90000114I273 K277 I278I273-T275 HydrophobicContact CG1-CG2 4.32Å; I273-T275 PolarHBondContact O-N 2.93Å; I273-T275 VanDerWaalsContact O-N 3.12Å; T275-K277 PolarHBondContact O-N 2.83Å; T275-I278 HydrophobicContact CG2-CD1 4.01Å; T275-I278 WeakPolarHBondContact O-CB 3.4Å; T275-I278 PolarHBondContact O-N 3.22Å
276K81.3Confident78.4Confident136 Ų13665 Ų6559%0.59135%0.353SS*.G310 helixtrans-68.9-23.1173-60.2175.9179.4165.10112.6D161 D164 N274D161-K276 IonicContact OD2-NZ 3.16Å; D161-K276 PolarHBondContact OD2-NZ 2.86Å; D164-K276 WeakPolarHBondContact OD2-CE 3.13Å; D164-K276 IonicContact OD2-NZ 2.74Å; D164-K276 PolarHBondContact OD2-NZ 2.98Å; N274-K276 PolarHBondContact O-N 3.32Å; N274-K276 VanDerWaalsContact O-N 3.16Å; N274-K276 VanDerWaalsContact OD1-CB 3.31Å; N274-K276 WeakPolarHBondContact OD1-CB 3.31Å; N274-K276 PolarHBondContact OD1-N 3.48Å; N274-K276 VanDerWaalsContact OD1-N 3.08Å
277K81.9Confident76.6Confident98 Ų9870.1 Ų70.143%0.42638%0.38SS..G310 helixtrans-92.86.3-179.6-62.6-174.4-177.81790112.7E160 P170 N274 T275E160-K277 IonicContact OE1-NZ 2.83Å; E160-K277 PolarHBondContact OE1-NZ 3.45Å; P170-K277 HydrophobicContact CG-CB 4.27Å; N274-K277 HydrophobicContact CB-CD 4.48Å; N274-K277 HydrophobicContact CB-CG 4.44Å; N274-K277 PolarHBondContact O-N 3.37Å; T275-K277 PolarHBondContact O-N 2.83Å
278I83.9Confident74.9Confident21 Ų2171.9 Ų71.911%0.10839%0.389CS..  trans-71.8137.9176.5-75.2174.7000110.3P170 N174 W262 I273 T275P170-I278 HydrophobicContact CB-CG1 4.27Å; P170-I278 HydrophobicContact CG-CG1 3.97Å; N174-I278 HydrophobicContact CB-CG1 4.15Å; N174-I278 HydrophobicContact CB-CG2 3.91Å; W262-I278 HydrophobicContact CB-CD1 3.88Å; W262-I278 HydrophobicContact CD2-CD1 3.98Å; W262-I278 HydrophobicContact CD2-CG2 3.78Å; W262-I278 HydrophobicContact CE3-CD1 3.95Å; W262-I278 HydrophobicContact CE3-CG2 3.98Å; W262-I278 HydrophobicContact CG-CD1 3.96Å; W262-I278 HydrophobicContact CG-CG2 4.39Å; W262-I278 HydrophobicContact CH2-CG2 3.95Å; W262-I278 HydrophobicContact CZ2-CG2 3.75Å; W262-I278 HydrophobicContact CZ3-CG2 4.06Å; I273-I278 HydrophobicContact CD1-CD1 4.16Å; T275-I278 HydrophobicContact CG2-CD1 4.01Å; T275-I278 WeakPolarHBondContact O-CB 3.4Å; T275-I278 PolarHBondContact O-N 3.22Å
279C75.2Confident73.6Confident80 Ų8073.4 Ų73.454%0.54140%0.395SS..  trans-108.9106.7176.3-165.70000109.7N174N174-C279 PolarHBondContact ND2-O 2.9Å; N174-C279 PolarHBondContact OD1-N 2.94Å; N174-C279 PolarHBondContact OD1-O 3.35Å
280P72.8Confident72.6Confident61 Ų6171.2 Ų71.240%0.39639%0.394SS..  trans-59.3145.9179.6-19.329000111.9W262 N282 S283W262-P280 HydrophobicContact CZ2-CB 4.49Å; P280-N282 PolarHBondContact O-N 3.42Å; P280-S283 WeakPolarHBondContact CD-OG 3.5Å; P280-S283 VanDerWaalsContact O-CB 3.26Å; P280-S283 WeakPolarHBondContact O-CB 3.35Å; P280-S283 PolarHBondContact O-N 3.42Å; P280-S283 PolarHBondContact O-OG 2.94Å
281E62.6Low71.6Confident174 Ų17478.3 Ų78.381%0.81343%0.427SS*.THydrogen-bonded Turntrans-61.9-30179.6-75.1-151.5135.600113.7S283E281-S283 PolarHBondContact O-N 2.84Å; E281-S283 VanDerWaalsContact O-N 3.09Å
282N54.7Low70.4Confident100 Ų10078 Ų7854%0.53542%0.423SS..THydrogen-bonded Turntrans-81.720.2-178.6-151.45.5000113.8P280 K284P280-N282 PolarHBondContact O-N 3.42Å; N282-K284 PolarHBondContact O-N 2.72Å
283S51.2Low69.3Low48 Ų4880.1 Ų80.134%0.33643%0.429SS..  trans-77.81.9-171.5-61.40000114.9P280 E281 L285P280-S283 WeakPolarHBondContact CD-OG 3.5Å; P280-S283 VanDerWaalsContact O-CB 3.26Å; P280-S283 WeakPolarHBondContact O-CB 3.35Å; P280-S283 PolarHBondContact O-N 3.42Å; P280-S283 PolarHBondContact O-OG 2.94Å; E281-S283 PolarHBondContact O-N 2.84Å; E281-S283 VanDerWaalsContact O-N 3.09Å; S283-L285 PolarHBondContact O-N 2.97Å; S283-L285 VanDerWaalsContact O-N 3.16Å
284K54.4Low68.1Low142 Ų14281.7 Ų81.762%0.61745%0.446SS*.  trans-79.6102.1170.2-70.4-176.8-174.8172.70108N282 S286 D287N282-K284 PolarHBondContact O-N 2.72Å; K284-S286 PolarHBondContact O-N 3.39Å; K284-D287 PolarHBondContact O-N 3.47Å
285L52.7Low67.2Low44 Ų4488.3 Ų88.323%0.2348%0.479CS..THydrogen-bonded Turntrans-52.2-17.6172.5-82.4123.9000114S283 D287 R293 V296 E297 M300S283-L285 PolarHBondContact O-N 2.97Å; S283-L285 VanDerWaalsContact O-N 3.16Å; L285-D287 VanDerWaalsContact C-N 3.26Å; L285-D287 PolarHBondContact O-N 3.49Å; L285-R293 HydrophobicContact CB-CG 4.43Å; L285-R293 HydrophobicContact CD2-CG 3.86Å; L285-R293 VanDerWaalsContact O-CD 3.3Å; L285-R293 WeakPolarHBondContact O-CD 3.45Å; L285-V296 HydrophobicContact CD2-CG1 4.45Å; L285-E297 HydrophobicContact CD2-CB 4.44Å; L285-E297 HydrophobicContact CD2-CG 3.22Å; L285-M300 HydrophobicContact CD1-SD 4.28Å
286S59.4Low66.2Low80 Ų8087.8 Ų87.856%0.55948%0.475SS*.THydrogen-bonded Turntrans-66.2-25.3172.154.60000114.1K284K284-S286 PolarHBondContact O-N 3.39Å
287D57.8Low65.8Low107 Ų10785.3 Ų85.357%0.57247%0.466SS*.SBendtrans-96.4-4.9-170-56.3-8.1000111.6K284 L285K284-D287 PolarHBondContact O-N 3.47Å; L285-D287 VanDerWaalsContact C-N 3.26Å; L285-D287 PolarHBondContact O-N 3.49Å
288L59.2Low65.5Low39 Ų3984.7 Ų84.720%0.20446%0.463CS..SBendtrans-91.3142.7173.9-62.2176.2000110.8T292 R293 V296L288-T292 HydrophobicContact CD2-CG2 4.41Å; L288-R293 HydrophobicContact CB-CB 4.17Å; L288-V296 HydrophobicContact CD1-CB 4.43Å; L288-V296 HydrophobicContact CD1-CG2 4.16Å
289D64.8Low64.7Low94 Ų9490.4 Ų90.450%0.50349%0.491SS..  trans-63151.1172.165.6-57.1000111.1E291 T292 R293D289-E291 PolarHBondContact O-N 3.26Å; D289-T292 PolarHBondContact O-N 3.01Å; D289-T292 VanDerWaalsContact O-N 3.17Å; D289-T292 WeakPolarHBondContact OD1-CB 3.47Å; D289-T292 PolarHBondContact OD1-OG1 3.07Å; D289-T292 PolarHBondContact OD2-OG1 3.48Å; D289-R293 VanDerWaalsContact O-CB 3.29Å; D289-R293 WeakPolarHBondContact O-CB 3.32Å; D289-R293 PolarHBondContact O-N 3.49Å
290G69.3Low64.3Low63 Ų6391.2 Ų91.265%0.64949%0.488SS*.Hα-helixtrans-56.9-29.9-167.600000115.3G294G290-G294 PolarHBondContact O-N 3.03Å; G290-G294 VanDerWaalsContact O-N 3.14Å
291E71.2Confident64.4Low169 Ų16992.8 Ų92.879%0.7949%0.487SS*.Hα-helixtrans-75-50178.1-169.3174.2-176.200111.6D289 R293 G294 M295D289-E291 PolarHBondContact O-N 3.26Å; E291-R293 VanDerWaalsContact C-N 3.31Å; E291-R293 PolarHBondContact O-N 3.45Å; E291-G294 PolarHBondContact O-N 3.36Å; E291-M295 PolarHBondContact O-N 2.99Å
292T65.6Low65Low59 Ų5985.7 Ų85.736%0.36245%0.454SS..Hα-helixtrans-63.6-38.1175.3-51.40000111.6L288 D289 M295 V296L288-T292 HydrophobicContact CD2-CG2 4.41Å; D289-T292 PolarHBondContact O-N 3.01Å; D289-T292 VanDerWaalsContact O-N 3.17Å; D289-T292 WeakPolarHBondContact OD1-CB 3.47Å; D289-T292 PolarHBondContact OD1-OG1 3.07Å; D289-T292 PolarHBondContact OD2-OG1 3.48Å; T292-M295 PolarHBondContact O-N 3.38Å; T292-V296 HydrophobicContact CG2-CG2 4.41Å; T292-V296 VanDerWaalsContact O-CG2 3.32Å; T292-V296 WeakPolarHBondContact O-CG2 3.5Å; T292-V296 PolarHBondContact O-N 2.93Å
293R69.5Low65.6Low100 Ų10087.5 Ų87.538%0.37746%0.46SS..Hα-helixtrans-59.2-48.7175.2-174.6-175.6172.8153.9-3111.5L285 L288 D289 E291 M295 V296 E297L285-R293 HydrophobicContact CB-CG 4.43Å; L285-R293 HydrophobicContact CD2-CG 3.86Å; L285-R293 VanDerWaalsContact O-CD 3.3Å; L285-R293 WeakPolarHBondContact O-CD 3.45Å; L288-R293 HydrophobicContact CB-CB 4.17Å; D289-R293 VanDerWaalsContact O-CB 3.29Å; D289-R293 WeakPolarHBondContact O-CB 3.32Å; D289-R293 PolarHBondContact O-N 3.49Å; E291-R293 VanDerWaalsContact C-N 3.31Å; E291-R293 PolarHBondContact O-N 3.45Å; R293-M295 VanDerWaalsContact C-N 3.29Å; R293-M295 PolarHBondContact O-N 3.4Å; R293-V296 PolarHBondContact O-N 2.82Å; R293-E297 HydrophobicContact CG-CG 4.37Å; R293-E297 IonicContact CZ-OE1 3.56Å; R293-E297 IonicContact NE-OE1 2.72Å; R293-E297 PolarHBondContact NE-OE1 3.46Å; R293-E297 IonicContact NH2-OE1 2.84Å; R293-E297 PolarHBondContact NH2-OE1 3.09Å; R293-E297 WeakPolarHBondContact O-CB 3.33Å; R293-E297 WeakPolarHBondContact O-CG 3.32Å; R293-E297 PolarHBondContact O-N 3.09Å
294G67.3Low66.6Low36 Ų3693.4 Ų93.437%0.37148%0.475SS..Hα-helixtrans-61.5-36.8178.600000112.8G290 E291 K298G290-G294 PolarHBondContact O-N 3.03Å; G290-G294 VanDerWaalsContact O-N 3.14Å; E291-G294 PolarHBondContact O-N 3.36Å; G294-K298 WeakPolarHBondContact O-CB 3.27Å; G294-K298 PolarHBondContact O-N 2.98Å
295M69.1Low67.6Low146 Ų14687.7 Ų87.772%0.71945%0.45SS*.Hα-helixtrans-67.8-44.2175.8-167179-139.400112.3E291 T292 R293 K298 M299E291-M295 PolarHBondContact O-N 2.99Å; T292-M295 PolarHBondContact O-N 3.38Å; R293-M295 VanDerWaalsContact C-N 3.29Å; R293-M295 PolarHBondContact O-N 3.4Å; M295-K298 PolarHBondContact O-N 2.66Å; M295-M299 WeakPolarHBondContact O-CB 3.36Å; M295-M299 PolarHBondContact O-N 2.93Å
296V67.1Low68.7Low46 Ų4692.7 Ų92.728%0.27947%0.47SS..Hα-helixtrans-68.6-39.9178.1174.70000111.3L285 L288 T292 R293 M299 M300L285-V296 HydrophobicContact CD2-CG1 4.45Å; L288-V296 HydrophobicContact CD1-CB 4.43Å; L288-V296 HydrophobicContact CD1-CG2 4.16Å; T292-V296 HydrophobicContact CG2-CG2 4.41Å; T292-V296 VanDerWaalsContact O-CG2 3.32Å; T292-V296 WeakPolarHBondContact O-CG2 3.5Å; T292-V296 PolarHBondContact O-N 2.93Å; R293-V296 PolarHBondContact O-N 2.82Å; V296-M299 PolarHBondContact O-N 2.93Å; V296-M300 HydrophobicContact CG1-CE 4.32Å; V296-M300 WeakPolarHBondContact O-CB 3.49Å; V296-M300 WeakPolarHBondContact O-CG 3.24Å; V296-M300 PolarHBondContact O-N 2.86Å
297E72Confident69.1Low84 Ų8493.3 Ų93.339%0.39347%0.474SS..Hα-helixtrans-61.1-45.6173.5-75.6-178.6-178.900111.5L285 R293 M299 M300 Y301L285-E297 HydrophobicContact CD2-CB 4.44Å; L285-E297 HydrophobicContact CD2-CG 3.22Å; R293-E297 HydrophobicContact CG-CG 4.37Å; R293-E297 IonicContact CZ-OE1 3.56Å; R293-E297 IonicContact NE-OE1 2.72Å; R293-E297 PolarHBondContact NE-OE1 3.46Å; R293-E297 IonicContact NH2-OE1 2.84Å; R293-E297 PolarHBondContact NH2-OE1 3.09Å; R293-E297 WeakPolarHBondContact O-CB 3.33Å; R293-E297 WeakPolarHBondContact O-CG 3.32Å; R293-E297 PolarHBondContact O-N 3.09Å; E297-M299 VanDerWaalsContact C-N 3.31Å; E297-M299 PolarHBondContact O-N 3.37Å; E297-M300 PolarHBondContact O-N 3.45Å; E297-Y301 WeakPolarHBondContact O-CB 3.48Å; E297-Y301 PolarHBondContact O-N 3.44Å
298K75.3Confident69.7Low86 Ų8693.2 Ų93.237%0.37447%0.472SS..Hα-helixtrans-59.1-44.6174.7-173.7-169.1173-159.60110.8G294 M295 Y301 D302 E314G294-K298 WeakPolarHBondContact O-CB 3.27Å; G294-K298 PolarHBondContact O-N 2.98Å; M295-K298 PolarHBondContact O-N 2.66Å; K298-Y301 PolarHBondContact O-N 3.19Å; K298-D302 WeakPolarHBondContact O-CB 3.38Å; K298-D302 VanDerWaalsContact O-CG 3.3Å; K298-D302 PolarHBondContact O-N 3.49Å; K298-E314 IonicContact NZ-OE1 3.18Å; K298-E314 PolarHBondContact NZ-OE1 3.43Å
299M67.6Low70.3Confident141 Ų14194.8 Ų94.870%0.69550%0.498SS*.Hα-helixtrans-65.7-41-179.2-161.6175.5-169.700112M295 V296 E297 Q303M295-M299 WeakPolarHBondContact O-CB 3.36Å; M295-M299 PolarHBondContact O-N 2.93Å; V296-M299 PolarHBondContact O-N 2.93Å; E297-M299 VanDerWaalsContact C-N 3.31Å; E297-M299 PolarHBondContact O-N 3.37Å; M299-Q303 VanDerWaalsContact O-CB 3.28Å; M299-Q303 WeakPolarHBondContact O-CB 3.45Å; M299-Q303 PolarHBondContact O-N 3.04Å
300M67Low70.8Confident96 Ų9694.1 Ų94.147%0.47349%0.494SS..Hα-helixtrans-66.2-41.1174.3-76.1-168172.100112.4L285 V296 E297 Q303 R304L285-M300 HydrophobicContact CD1-SD 4.28Å; V296-M300 HydrophobicContact CG1-CE 4.32Å; V296-M300 WeakPolarHBondContact O-CB 3.49Å; V296-M300 WeakPolarHBondContact O-CG 3.24Å; V296-M300 PolarHBondContact O-N 2.86Å; E297-M300 PolarHBondContact O-N 3.45Å; M300-Q303 PolarHBondContact O-N 2.98Å; M300-R304 WeakPolarHBondContact O-CB 3.44Å; M300-R304 PolarHBondContact O-N 3.35Å
301Y74.1Confident71Confident95 Ų9593 Ų9337%0.37348%0.475SS..Hα-helixtrans-62.4-48.5175.1177.9-95.3000110.8E297 K298 Q303 R304 Q305 S313 Q316E297-Y301 WeakPolarHBondContact O-CB 3.48Å; E297-Y301 PolarHBondContact O-N 3.44Å; K298-Y301 PolarHBondContact O-N 3.19Å; Y301-Q303 VanDerWaalsContact C-N 3.33Å; Y301-Q303 PolarHBondContact O-N 3.33Å; Y301-R304 PolarHBondContact O-N 3.46Å; Y301-Q305 HydrophobicContact CD1-CG 3.92Å; Y301-Q305 HydrophobicContact CE1-CG 3.63Å; Y301-Q305 HydrophobicContact CE2-CG 4.26Å; Y301-Q305 HydrophobicContact CG-CG 4.38Å; Y301-Q305 VanDerWaalsContact O-CG 3.27Å; Y301-Q305 WeakPolarHBondContact O-CG 3.26Å; Y301-Q305 PolarHBondContact O-N 2.9Å; Y301-Q305 PolarHBondContact OH-NE2 3.01Å; Y301-S313 VanDerWaalsContact CD1-OG 3.25Å; Y301-S313 WeakPolarHBondContact CD1-OG 3.25Å; Y301-S313 WeakPolarHBondContact CE1-OG 3.43Å; Y301-Q316 PolarHBondContact OH-NE2 3.4Å; Y301-Q316 PolarHBondContact OH-OE1 2.92Å
302D75.8Confident71.5Confident24 Ų2485.4 Ų85.413%0.12844%0.44CS..Hα-helixtrans-64-37.8179.3-73.6-12.4000112K298 Q305 K306 T312 S313K298-D302 WeakPolarHBondContact O-CB 3.38Å; K298-D302 VanDerWaalsContact O-CG 3.3Å; K298-D302 PolarHBondContact O-N 3.49Å; D302-Q305 PolarHBondContact O-N 3.41Å; D302-K306 WeakPolarHBondContact O-CB 3.37Å; D302-K306 WeakPolarHBondContact O-CG 3.49Å; D302-K306 PolarHBondContact O-N 3.42Å; D302-T312 HydrophobicContact CB-CG2 4.45Å; D302-S313 WeakPolarHBondContact OD1-CB 3.36Å; D302-S313 PolarHBondContact OD1-N 3.27Å; D302-S313 PolarHBondContact OD1-OG 3.31Å
303Q66.9Low72Confident139 Ų13983.6 Ų83.665%0.6543%0.43SS*.Hα-helixtrans-65.1-40.7174.8-170.6171.41800111.8M299 M300 Y301 S307M299-Q303 VanDerWaalsContact O-CB 3.28Å; M299-Q303 WeakPolarHBondContact O-CB 3.45Å; M299-Q303 PolarHBondContact O-N 3.04Å; M300-Q303 PolarHBondContact O-N 2.98Å; Y301-Q303 VanDerWaalsContact C-N 3.33Å; Y301-Q303 PolarHBondContact O-N 3.33Å; Q303-S307 PolarHBondContact O-N 2.98Å; Q303-S307 PolarHBondContact O-OG 2.89Å
304R72.8Confident72.3Confident172 Ų17283.9 Ų83.965%0.64944%0.435SS*.Hα-helixtrans-68.3-40.8175.8-167.9-171.1-68.4-169.4-2.3112.4M300 Y301 S307 M308M300-R304 WeakPolarHBondContact O-CB 3.44Å; M300-R304 PolarHBondContact O-N 3.35Å; Y301-R304 PolarHBondContact O-N 3.46Å; R304-S307 WeakPolarHBondContact CA-OG 3.42Å; R304-S307 PolarHBondContact O-N 3.48Å; R304-S307 PolarHBondContact O-OG 3.29Å; R304-M308 HydrophobicContact CG-CE 3.69Å; R304-M308 WeakPolarHBondContact O-CB 3.41Å; R304-M308 WeakPolarHBondContact O-CG 3.48Å; R304-M308 PolarHBondContact O-N 3.46Å; R304-M308 VanDerWaalsContact O-N 3.09Å
305Q74.9Confident72.8Confident22 Ų2285 Ų8510%0.10343%0.433CS..Hα-helixtrans-61.6-47.9175.1-68-69.8-3900109.9Y301 D302 S307 M308 G309 L310 P311Y301-Q305 HydrophobicContact CD1-CG 3.92Å; Y301-Q305 HydrophobicContact CE1-CG 3.63Å; Y301-Q305 HydrophobicContact CE2-CG 4.26Å; Y301-Q305 HydrophobicContact CG-CG 4.38Å; Y301-Q305 VanDerWaalsContact O-CG 3.27Å; Y301-Q305 WeakPolarHBondContact O-CG 3.26Å; Y301-Q305 PolarHBondContact O-N 2.9Å; Y301-Q305 PolarHBondContact OH-NE2 3.01Å; D302-Q305 PolarHBondContact O-N 3.41Å; Q305-S307 PolarHBondContact O-N 2.92Å; Q305-M308 CarbonylContact O-C 3.48Å; Q305-M308 PolarHBondContact O-N 2.92Å; Q305-M308 VanDerWaalsContact O-N 3.13Å; Q305-G309 PolarHBondContact O-N 2.89Å; Q305-G309 VanDerWaalsContact O-N 3.12Å; Q305-L310 CarbonylContact C-O 3.35Å; Q305-L310 HydrophobicContact CB-CB 4.3Å; Q305-L310 PolarHBondContact O-N 3.29Å; Q305-P311 PolarHBondContact OE1-O 2.91Å
306K76.6Confident73.2Confident148 Ų14880.9 Ų80.964%0.64341%0.412SS*.Hα-helixtrans-58.2-44.4176.2-76.5-179.7-174.2-1770113D302 M308 G309 T312D302-K306 WeakPolarHBondContact O-CB 3.37Å; D302-K306 WeakPolarHBondContact O-CG 3.49Å; D302-K306 PolarHBondContact O-N 3.42Å; K306-M308 VanDerWaalsContact C-N 3.25Å; K306-M308 PolarHBondContact O-N 3.49Å; K306-G309 PolarHBondContact O-N 3.31Å; K306-G309 VanDerWaalsContact O-N 3.08Å; K306-T312 HydrophobicContact CD-CG2 4.1Å; K306-T312 HydrophobicContact CG-CG2 3.59Å
307S66.9Low73.8Confident93 Ų9385.2 Ų85.265%0.6543%0.427SS*.Hα-helixtrans-66.9-28.917963.40000112.8Q303 R304 Q305 G309Q303-S307 PolarHBondContact O-N 2.98Å; Q303-S307 PolarHBondContact O-OG 2.89Å; R304-S307 WeakPolarHBondContact CA-OG 3.42Å; R304-S307 PolarHBondContact O-N 3.48Å; R304-S307 PolarHBondContact O-OG 3.29Å; Q305-S307 PolarHBondContact O-N 2.92Å; S307-G309 VanDerWaalsContact C-N 3.28Å
308M71.3Confident74.1Confident105 Ų10587.7 Ų87.752%0.51744%0.436SS..THydrogen-bonded Turntrans-87.75.9174.9-66.6-169.9-64.100112.8R304 Q305 K306 L310R304-M308 HydrophobicContact CG-CE 3.69Å; R304-M308 WeakPolarHBondContact O-CB 3.41Å; R304-M308 WeakPolarHBondContact O-CG 3.48Å; R304-M308 PolarHBondContact O-N 3.46Å; R304-M308 VanDerWaalsContact O-N 3.09Å; Q305-M308 CarbonylContact O-C 3.48Å; Q305-M308 PolarHBondContact O-N 2.92Å; Q305-M308 VanDerWaalsContact O-N 3.13Å; K306-M308 VanDerWaalsContact C-N 3.25Å; K306-M308 PolarHBondContact O-N 3.49Å; M308-L310 HydrophobicContact CB-CD1 3.67Å; M308-L310 HydrophobicContact CB-CG 4.05Å; M308-L310 HydrophobicContact CE-CD1 3.69Å; M308-L310 PolarHBondContact O-N 2.92Å; M308-L310 VanDerWaalsContact O-N 3.16Å; M308-L310 HydrophobicContact SD-CD1 4.29Å
309G71.5Confident74.2Confident73 Ų7387.7 Ų87.775%0.75344%0.438SS*.THydrogen-bonded Turntrans62.817.1-174.900000113.9Q305 K306 S307Q305-G309 PolarHBondContact O-N 2.89Å; Q305-G309 VanDerWaalsContact O-N 3.12Å; K306-G309 PolarHBondContact O-N 3.31Å; K306-G309 VanDerWaalsContact O-N 3.08Å; S307-G309 VanDerWaalsContact C-N 3.28Å
310L75.3Confident74.8Confident80 Ų8085 Ų8542%0.41943%0.426SS..PPolyproline II helixtrans-91.5153.9-179.9-68.3160.7000110.8Q305 M308 T312Q305-L310 CarbonylContact C-O 3.35Å; Q305-L310 HydrophobicContact CB-CB 4.3Å; Q305-L310 PolarHBondContact O-N 3.29Å; M308-L310 HydrophobicContact CB-CD1 3.67Å; M308-L310 HydrophobicContact CB-CG 4.05Å; M308-L310 HydrophobicContact CE-CD1 3.69Å; M308-L310 PolarHBondContact O-N 2.92Å; M308-L310 VanDerWaalsContact O-N 3.16Å; M308-L310 HydrophobicContact SD-CD1 4.29Å; L310-T312 PolarHBondContact O-N 3.33Å
311P74.3Confident75.5Confident39 Ų3986 Ų8625%0.25343%0.432SS..PPolyproline II helixtrans-61.7133.6-178.9-2132.9000111.9Q305 D315 Q316Q305-P311 PolarHBondContact OE1-O 2.91Å; P311-D315 HydrophobicContact CB-CB 3.76Å; P311-Q316 HydrophobicContact CB-CG 3.92Å; P311-Q316 PolarHBondContact O-NE2 3.13Å
312T79.9Confident75.5Confident10 Ų1083.9 Ų83.96%0.06143%0.427CS..PPolyproline II helixtrans-65.3169.2174.963.90000111.7D302 K306 L310 E314 D315 Q316D302-T312 HydrophobicContact CB-CG2 4.45Å; K306-T312 HydrophobicContact CD-CG2 4.1Å; K306-T312 HydrophobicContact CG-CG2 3.59Å; L310-T312 PolarHBondContact O-N 3.33Å; T312-E314 PolarHBondContact O-N 2.74Å; T312-E314 VanDerWaalsContact O-N 3.12Å; T312-E314 PolarHBondContact OG1-N 3.12Å; T312-D315 WeakPolarHBondContact CB-OD2 3.05Å; T312-D315 PolarHBondContact N-OD2 2.94Å; T312-D315 VanDerWaalsContact N-OD2 3.14Å; T312-D315 PolarHBondContact O-N 2.99Å; T312-D315 PolarHBondContact OG1-N 3.44Å; T312-D315 PolarHBondContact OG1-OD2 3.41Å; T312-Q316 WeakPolarHBondContact O-CG 3.12Å; T312-Q316 PolarHBondContact O-N 3.15Å
313S76.4Confident75.7Confident21 Ų2188.7 Ų88.715%0.14745%0.447CS..Hα-helixtrans-53.6-33.3174-56.20000112.9Y301 D302 K317Y301-S313 VanDerWaalsContact CD1-OG 3.25Å; Y301-S313 WeakPolarHBondContact CD1-OG 3.25Å; Y301-S313 WeakPolarHBondContact CE1-OG 3.43Å; D302-S313 WeakPolarHBondContact OD1-CB 3.36Å; D302-S313 PolarHBondContact OD1-N 3.27Å; D302-S313 PolarHBondContact OD1-OG 3.31Å; S313-K317 WeakPolarHBondContact O-CG 3.29Å; S313-K317 PolarHBondContact O-N 3.4Å
314E76.3Confident76.4Confident105 Ų10588 Ų8849%0.49144%0.442SS..Hα-helixtrans-77.1-38.1177.2-73.1178.9-172.600112.1K298 T312 K317 K318K298-E314 IonicContact NZ-OE1 3.18Å; K298-E314 PolarHBondContact NZ-OE1 3.43Å; T312-E314 PolarHBondContact O-N 2.74Å; T312-E314 VanDerWaalsContact O-N 3.12Å; T312-E314 PolarHBondContact OG1-N 3.12Å; E314-K317 PolarHBondContact O-N 3.01Å; E314-K318 VanDerWaalsContact O-CG 3.32Å; E314-K318 WeakPolarHBondContact O-CG 3.38Å; E314-K318 PolarHBondContact O-N 3.22Å
315D77.8Confident76.7Confident61 Ų6183.6 Ų83.633%0.32643%0.427SS..Hα-helixtrans-69.1-37.6176.3-56.6-40.9000111.6P311 T312 K318 Q319P311-D315 HydrophobicContact CB-CB 3.76Å; T312-D315 WeakPolarHBondContact CB-OD2 3.05Å; T312-D315 PolarHBondContact N-OD2 2.94Å; T312-D315 VanDerWaalsContact N-OD2 3.14Å; T312-D315 PolarHBondContact O-N 2.99Å; T312-D315 PolarHBondContact OG1-N 3.44Å; T312-D315 PolarHBondContact OG1-OD2 3.41Å; D315-K318 PolarHBondContact O-N 3.44Å; D315-Q319 WeakPolarHBondContact O-CB 3.47Å; D315-Q319 VanDerWaalsContact O-CG 3.3Å; D315-Q319 WeakPolarHBondContact O-CG 3.45Å; D315-Q319 PolarHBondContact O-N 3.22Å
316Q77.8Confident76.9Confident59 Ų5986 Ų8628%0.27644%0.439SS..Hα-helixtrans-61.8-46.1172.8-69.917811.200110.7Y301 P311 T312 K318 Q319 D320Y301-Q316 PolarHBondContact OH-NE2 3.4Å; Y301-Q316 PolarHBondContact OH-OE1 2.92Å; P311-Q316 HydrophobicContact CB-CG 3.92Å; P311-Q316 PolarHBondContact O-NE2 3.13Å; T312-Q316 WeakPolarHBondContact O-CG 3.12Å; T312-Q316 PolarHBondContact O-N 3.15Å; Q316-K318 VanDerWaalsContact C-N 3.34Å; Q316-K318 PolarHBondContact O-N 3.46Å; Q316-Q319 PolarHBondContact O-N 2.92Å; Q316-D320 WeakPolarHBondContact O-CB 3.39Å; Q316-D320 PolarHBondContact O-N 3.18Å
317K79.1Confident77Confident137 Ų13782.7 Ų82.760%0.59644%0.44SS*.Hα-helixtrans-59.7-43.4174.5-78.8179.8-178.7-174.10112.3S313 E314 D320 I321S313-K317 WeakPolarHBondContact O-CG 3.29Å; S313-K317 PolarHBondContact O-N 3.4Å; E314-K317 PolarHBondContact O-N 3.01Å; K317-D320 PolarHBondContact O-N 2.94Å; K317-I321 WeakPolarHBondContact O-CD1 3.33Å; K317-I321 VanDerWaalsContact O-CG1 3.24Å; K317-I321 WeakPolarHBondContact O-CG1 3.37Å; K317-I321 PolarHBondContact O-N 3.45Å
318K78.3Confident77.6Confident135 Ų13582.2 Ų82.259%0.58743%0.427SS*.Hα-helixtrans-62.2-43.6175.9-73.4172.8-176.2174.30111.6E314 D315 Q316 D320 I321 L322E314-K318 VanDerWaalsContact O-CG 3.32Å; E314-K318 WeakPolarHBondContact O-CG 3.38Å; E314-K318 PolarHBondContact O-N 3.22Å; D315-K318 PolarHBondContact O-N 3.44Å; Q316-K318 VanDerWaalsContact C-N 3.34Å; Q316-K318 PolarHBondContact O-N 3.46Å; K318-D320 VanDerWaalsContact C-N 3.33Å; K318-D320 PolarHBondContact O-N 3.09Å; K318-I321 PolarHBondContact O-N 3.45Å; K318-L322 VanDerWaalsContact O-CB 3.29Å; K318-L322 WeakPolarHBondContact O-CB 3.31Å; K318-L322 PolarHBondContact O-N 3.28Å
319Q77.2Confident77.7Confident87 Ų8780.4 Ų80.441%0.40742%0.417SS..Hα-helixtrans-63.6-38.5176.1-74.6179.712.100112.1D315 Q316 L322 K323D315-Q319 WeakPolarHBondContact O-CB 3.47Å; D315-Q319 VanDerWaalsContact O-CG 3.3Å; D315-Q319 WeakPolarHBondContact O-CG 3.45Å; D315-Q319 PolarHBondContact O-N 3.22Å; Q316-Q319 PolarHBondContact O-N 2.92Å; Q319-L322 PolarHBondContact O-N 3.04Å; Q319-K323 WeakPolarHBondContact O-CB 3.43Å; Q319-K323 VanDerWaalsContact O-CG 3.27Å; Q319-K323 WeakPolarHBondContact O-CG 3.43Å; Q319-K323 PolarHBondContact O-N 3.43Å
320D81.6Confident77.7Confident83 Ų8382.2 Ų82.244%0.44442%0.416SS..Hα-helixtrans-70.8-38.4178.4-74-17.3000112.4Q316 K317 K318 K324Q316-D320 WeakPolarHBondContact O-CB 3.39Å; Q316-D320 PolarHBondContact O-N 3.18Å; K317-D320 PolarHBondContact O-N 2.94Å; K318-D320 VanDerWaalsContact C-N 3.33Å; K318-D320 PolarHBondContact O-N 3.09Å; D320-K324 WeakPolarHBondContact O-CG 3.42Å; D320-K324 PolarHBondContact O-N 2.73Å
321I80.4Confident77.6Confident117 Ų11787.7 Ų87.760%0.644%0.439SS*.Hα-helixtrans-63.6-46.4172.5-68.3164.9000109.8K317 K318 K323 K324 F325K317-I321 WeakPolarHBondContact O-CD1 3.33Å; K317-I321 VanDerWaalsContact O-CG1 3.24Å; K317-I321 WeakPolarHBondContact O-CG1 3.37Å; K317-I321 PolarHBondContact O-N 3.45Å; K318-I321 PolarHBondContact O-N 3.45Å; I321-K323 PolarHBondContact O-N 3.45Å; I321-K324 PolarHBondContact O-N 3.33Å; I321-F325 WeakPolarHBondContact O-CB 3.49Å; I321-F325 PolarHBondContact O-N 3.36Å
322L74.7Confident77.3Confident51 Ų5190.2 Ų90.227%0.26745%0.449SS..Hα-helixtrans-62.8-43.3178.1-177.365000111.9K318 Q319 K324 F325 M326 F339K318-L322 VanDerWaalsContact O-CB 3.29Å; K318-L322 WeakPolarHBondContact O-CB 3.31Å; K318-L322 PolarHBondContact O-N 3.28Å; Q319-L322 PolarHBondContact O-N 3.04Å; L322-K324 VanDerWaalsContact C-N 3.34Å; L322-K324 PolarHBondContact O-N 3.44Å; L322-F325 WeakPolarHBondContact O-CB 3.49Å; L322-F325 PolarHBondContact O-N 3.31Å; L322-M326 HydrophobicContact CD1-CG 4.49Å; L322-M326 HydrophobicContact CG-CG 4.47Å; L322-M326 HydrophobicContact CG-SD 4.13Å; L322-M326 VanDerWaalsContact O-CG 3.25Å; L322-M326 WeakPolarHBondContact O-CG 3.47Å; L322-M326 PolarHBondContact O-N 3.32Å; L322-F339 HydrophobicContact CD1-CE1 3.82Å; L322-F339 HydrophobicContact CD1-CZ 4.4Å; L322-F339 HydrophobicContact CD2-CD1 3.69Å; L322-F339 HydrophobicContact CD2-CE1 3.5Å; L322-F339 HydrophobicContact CD2-CE2 4.49Å; L322-F339 HydrophobicContact CD2-CG 4.27Å; L322-F339 HydrophobicContact CD2-CZ 3.92Å; L322-F339 HydrophobicContact CG-CE1 4.27Å
323K80.3Confident76.7Confident126 Ų12695.5 Ų95.555%0.54848%0.477SS..Hα-helixtrans-60.2-42.7175.3-80.4173.7-174.7168.30112Q319 I321 F325 M326 A327Q319-K323 WeakPolarHBondContact O-CB 3.43Å; Q319-K323 VanDerWaalsContact O-CG 3.27Å; Q319-K323 WeakPolarHBondContact O-CG 3.43Å; Q319-K323 PolarHBondContact O-N 3.43Å; I321-K323 PolarHBondContact O-N 3.45Å; K323-F325 VanDerWaalsContact C-N 3.34Å; K323-M326 PolarHBondContact O-N 3.48Å; K323-A327 WeakPolarHBondContact O-CB 3.36Å; K323-A327 PolarHBondContact O-N 3.24Å
324K81.6Confident76.3Confident124 Ų12496.4 Ų96.454%0.53948%0.478SS..Hα-helixtrans-63-41.9175-76.9174.7-178.11690111.5D320 I321 L322 A327 Q328D320-K324 WeakPolarHBondContact O-CG 3.42Å; D320-K324 PolarHBondContact O-N 2.73Å; I321-K324 PolarHBondContact O-N 3.33Å; L322-K324 VanDerWaalsContact C-N 3.34Å; L322-K324 PolarHBondContact O-N 3.44Å; K324-A327 PolarHBondContact O-N 3.16Å; K324-Q328 WeakPolarHBondContact O-CB 3.37Å; K324-Q328 VanDerWaalsContact O-CG 3.3Å; K324-Q328 WeakPolarHBondContact O-CG 3.48Å; K324-Q328 PolarHBondContact O-N 3.34Å
325F78.5Confident75.8Confident80 Ų8095.9 Ų95.935%0.35149%0.486SS..Hα-helixtrans-62.7-45.6176.6-174.2-101.4000112.2I321 L322 K323 A327 Q328 H329 M332 F334I321-F325 WeakPolarHBondContact O-CB 3.49Å; I321-F325 PolarHBondContact O-N 3.36Å; L322-F325 WeakPolarHBondContact O-CB 3.49Å; L322-F325 PolarHBondContact O-N 3.31Å; K323-F325 VanDerWaalsContact C-N 3.34Å; F325-A327 VanDerWaalsContact C-N 3.33Å; F325-A327 PolarHBondContact O-N 3.1Å; F325-Q328 PolarHBondContact O-N 3.09Å; F325-H329 AromaticContact CD2-CD2 3.7Å; F325-H329 AromaticContact CE2-CD2 3.48Å; F325-H329 VanDerWaalsContact CE2-CD2 3.48Å; F325-H329 WeakPolarHBondContact CE2-CD2 3.39Å; F325-H329 AromaticContact CE2-NE2 3.62Å; F325-H329 AromaticContact CZ-CD2 3.75Å; F325-H329 PolarHBondContact O-CD2 3.19Å; F325-H329 VanDerWaalsContact O-CD2 3.31Å; F325-H329 PolarHBondContact O-N 3.47Å; F325-M332 HydrophobicContact CE1-CE 3.94Å; F325-M332 HydrophobicContact CZ-CE 3.89Å; F325-F334 HydrophobicContact CD1-CE1 4.19Å; F325-F334 AromaticContact CD1-CZ 3.85Å; F325-F334 HydrophobicContact CD1-CZ 3.85Å; F325-F334 AromaticContact CE1-CE1 3.98Å; F325-F334 HydrophobicContact CE1-CE1 3.98Å; F325-F334 AromaticContact CE1-CZ 3.67Å; F325-F334 HydrophobicContact CE1-CZ 3.67Å
326M78.3Confident75.2Confident71 Ų71101.8 Ų101.835%0.3551%0.509SS..Hα-helixtrans-63.3-37.8175.9-65.2170.595.300112.2L322 K323 Q328 H329 F334L322-M326 HydrophobicContact CD1-CG 4.49Å; L322-M326 HydrophobicContact CG-CG 4.47Å; L322-M326 HydrophobicContact CG-SD 4.13Å; L322-M326 VanDerWaalsContact O-CG 3.25Å; L322-M326 WeakPolarHBondContact O-CG 3.47Å; L322-M326 PolarHBondContact O-N 3.32Å; K323-M326 PolarHBondContact O-N 3.48Å; M326-Q328 VanDerWaalsContact C-N 3.33Å; M326-H329 CarbonylContact O-C 3.39Å; M326-H329 PolarHBondContact O-N 3.43Å; M326-F334 HydrophobicContact CB-CD2 4.34Å; M326-F334 HydrophobicContact CB-CE2 4.29Å; M326-F334 HydrophobicContact CE-CB 3.43Å; M326-F334 VanDerWaalsContact CE-CB 3.43Å; M326-F334 HydrophobicContact CE-CD2 3.92Å; M326-F334 HydrophobicContact CE-CG 3.78Å; M326-F334 HydrophobicContact CG-CD2 3.77Å; M326-F334 HydrophobicContact CG-CE2 3.91Å; M326-F334 HydrophobicContact CG-CG 4.1Å; M326-F334 HydrophobicContact CG-CZ 4.34Å
327A79.3Confident74.6Confident79 Ų79101.1 Ų101.165%0.65351%0.513SS*.Hα-helixtrans-68.9-31.7176.700000112.8K323 K324 F325K323-A327 WeakPolarHBondContact O-CB 3.36Å; K323-A327 PolarHBondContact O-N 3.24Å; K324-A327 PolarHBondContact O-N 3.16Å; F325-A327 VanDerWaalsContact C-N 3.33Å; F325-A327 PolarHBondContact O-N 3.1Å
328Q80Confident73.4Confident84 Ų84104.4 Ų104.439%0.39353%0.527SS..Hα-helixtrans-80.7-19.8176.8-72.6174.8-6.500113.1L124 K324 F325 M326 P330L124-Q328 VanDerWaalsContact CD2-NE2 3.31Å; K324-Q328 WeakPolarHBondContact O-CB 3.37Å; K324-Q328 VanDerWaalsContact O-CG 3.3Å; K324-Q328 WeakPolarHBondContact O-CG 3.48Å; K324-Q328 PolarHBondContact O-N 3.34Å; F325-Q328 PolarHBondContact O-N 3.09Å; M326-Q328 VanDerWaalsContact C-N 3.33Å; Q328-P330 WeakPolarHBondContact O-CD 3.3Å
329H73.3Confident72.5Confident66 Ų66103.9 Ų103.931%0.30653%0.525SS..  trans-124.765.7178.8-60.9-70.7000112.4F325 M326 E331 M332F325-H329 AromaticContact CD2-CD2 3.7Å; F325-H329 AromaticContact CE2-CD2 3.48Å; F325-H329 VanDerWaalsContact CE2-CD2 3.48Å; F325-H329 WeakPolarHBondContact CE2-CD2 3.39Å; F325-H329 AromaticContact CE2-NE2 3.62Å; F325-H329 AromaticContact CZ-CD2 3.75Å; F325-H329 PolarHBondContact O-CD2 3.19Å; F325-H329 VanDerWaalsContact O-CD2 3.31Å; F325-H329 PolarHBondContact O-N 3.47Å; M326-H329 CarbonylContact O-C 3.39Å; M326-H329 PolarHBondContact O-N 3.43Å; H329-E331 PolarHBondContact O-N 3.48Å; H329-E331 VanDerWaalsContact O-N 3.12Å; H329-M332 HydrophobicContact CB-CE 3.51Å; H329-M332 PolarHBondContact O-N 3.34Å; H329-M332 VanDerWaalsContact O-N 3.15Å
330P72.1Confident71.2Confident112 Ų112108.7 Ų108.773%0.72757%0.569SS**THydrogen-bonded Turntrans-66.4-12.5-178.126.3-33.9000114.2Q328Q328-P330 WeakPolarHBondContact O-CD 3.3Å
331E73.6Confident70.6Confident194 Ų194110 Ų11091%0.90758%0.575SS**THydrogen-bonded Turntrans-83-14.8176.3-61.4-169.8175.800113.7H329H329-E331 PolarHBondContact O-N 3.48Å; H329-E331 VanDerWaalsContact O-N 3.12Å
332M66.7Low70.1Confident93 Ų93109.6 Ų109.646%0.45857%0.574SS.*SBendtrans-89.3123.9176.1-83.8-166-79.100111F325 H329 F334F325-M332 HydrophobicContact CE1-CE 3.94Å; F325-M332 HydrophobicContact CZ-CE 3.89Å; H329-M332 HydrophobicContact CB-CE 3.51Å; H329-M332 PolarHBondContact O-N 3.34Å; H329-M332 VanDerWaalsContact O-N 3.15Å; M332-F334 HydrophobicContact CB-CD2 4.22Å; M332-F334 HydrophobicContact CB-CE2 3.5Å; M332-F334 HydrophobicContact CB-CZ 3.71Å; M332-F334 HydrophobicContact CE-CZ 4.08Å; M332-F334 WeakPolarHBondContact O-CD2 3.47Å; M332-F334 WeakPolarHBondContact O-CE2 3.39Å; M332-F334 PolarHBondContact O-N 3.26Å; M332-F334 HydrophobicContact SD-CZ 4.24Å
333D67.7Low69.9Low120 Ų120112.9 Ų112.964%0.64259%0.591SS**  trans-84.9101.9175.7-18015.2000111.2S335D333-S335 VanDerWaalsContact C-N 3.3Å; D333-S335 WeakPolarHBondContact OD1-CB 3.5Å; D333-S335 PolarHBondContact OD1-N 3.37Å; D333-S335 PolarHBondContact OD1-OG 3.17Å; D333-S335 PolarHBondContact OD2-OG 3.49Å
334F67.1Low69.3Low41 Ų41112.1 Ų112.118%0.1859%0.593CS.*G310 helixtrans-86.45177.7-63.1-85.9000113.5F325 M326 M332 K336 A337 F339F325-F334 HydrophobicContact CD1-CE1 4.19Å; F325-F334 AromaticContact CD1-CZ 3.85Å; F325-F334 HydrophobicContact CD1-CZ 3.85Å; F325-F334 AromaticContact CE1-CE1 3.98Å; F325-F334 HydrophobicContact CE1-CE1 3.98Å; F325-F334 AromaticContact CE1-CZ 3.67Å; F325-F334 HydrophobicContact CE1-CZ 3.67Å; M326-F334 HydrophobicContact CB-CD2 4.34Å; M326-F334 HydrophobicContact CB-CE2 4.29Å; M326-F334 HydrophobicContact CE-CB 3.43Å; M326-F334 VanDerWaalsContact CE-CB 3.43Å; M326-F334 HydrophobicContact CE-CD2 3.92Å; M326-F334 HydrophobicContact CE-CG 3.78Å; M326-F334 HydrophobicContact CG-CD2 3.77Å; M326-F334 HydrophobicContact CG-CE2 3.91Å; M326-F334 HydrophobicContact CG-CG 4.1Å; M326-F334 HydrophobicContact CG-CZ 4.34Å; M332-F334 HydrophobicContact CB-CD2 4.22Å; M332-F334 HydrophobicContact CB-CE2 3.5Å; M332-F334 HydrophobicContact CB-CZ 3.71Å; M332-F334 HydrophobicContact CE-CZ 4.08Å; M332-F334 WeakPolarHBondContact O-CD2 3.47Å; M332-F334 WeakPolarHBondContact O-CE2 3.39Å; M332-F334 PolarHBondContact O-N 3.26Å; M332-F334 HydrophobicContact SD-CZ 4.24Å; F334-K336 PolarHBondContact O-N 3.01Å; F334-K336 VanDerWaalsContact O-N 3.09Å; F334-A337 WeakPolarHBondContact O-CB 3.43Å; F334-A337 PolarHBondContact O-N 2.83Å; F334-A337 VanDerWaalsContact O-N 3.09Å; F334-F339 HydrophobicContact CB-CZ 4.49Å; F334-F339 HydrophobicContact CD1-CZ 4.46Å
335S67.2Low68.5Low93 Ų93111.4 Ų111.465%0.6560%0.597SS**G310 helixtrans-62.3-18.7-177.367.60000114.3D333D333-S335 VanDerWaalsContact C-N 3.3Å; D333-S335 WeakPolarHBondContact OD1-CB 3.5Å; D333-S335 PolarHBondContact OD1-N 3.37Å; D333-S335 PolarHBondContact OD1-OG 3.17Å; D333-S335 PolarHBondContact OD2-OG 3.49Å
336K65.4Low67.8Low186 Ų186113.5 Ų113.581%0.80961%0.613SS**G310 helixtrans-1081.5177.8-63.8-178-174.8174.10114.2F334 K338F334-K336 PolarHBondContact O-N 3.01Å; F334-K336 VanDerWaalsContact O-N 3.09Å; K336-K338 PolarHBondContact O-N 2.95Å
337A63.6Low67.1Low44 Ų44116.5 Ų116.536%0.36463%0.632SS.*  trans-73.7125.9-179.900000110.3F334 F339F334-A337 WeakPolarHBondContact O-CB 3.43Å; F334-A337 PolarHBondContact O-N 2.83Å; F334-A337 VanDerWaalsContact O-N 3.09Å; A337-F339 HydrophobicContact CB-CD2 4.43Å; A337-F339 HydrophobicContact CB-CE1 3.95Å; A337-F339 HydrophobicContact CB-CE2 3.66Å; A337-F339 HydrophobicContact CB-CZ 3.38Å; A337-F339 WeakPolarHBondContact O-CD2 3.24Å; A337-F339 WeakPolarHBondContact O-CE2 3.34Å
338K54Low66.1Low206 Ų206119.4 Ų119.490%0.89663%0.63SS**  trans-88110.7170.5-75.5-174.3178.5-178.70108.2K336K336-K338 PolarHBondContact O-N 2.95Å
339F60.4Low65Low124 Ų124122.3 Ų122.354%0.54465%0.65SS.*  trans-93.7105.1172.2-52.9-77.1000107.2L322 F334 A337L322-F339 HydrophobicContact CD1-CE1 3.82Å; L322-F339 HydrophobicContact CD1-CZ 4.4Å; L322-F339 HydrophobicContact CD2-CD1 3.69Å; L322-F339 HydrophobicContact CD2-CE1 3.5Å; L322-F339 HydrophobicContact CD2-CE2 4.49Å; L322-F339 HydrophobicContact CD2-CG 4.27Å; L322-F339 HydrophobicContact CD2-CZ 3.92Å; L322-F339 HydrophobicContact CG-CE1 4.27Å; F334-F339 HydrophobicContact CB-CZ 4.49Å; F334-F339 HydrophobicContact CD1-CZ 4.46Å; A337-F339 HydrophobicContact CB-CD2 4.43Å; A337-F339 HydrophobicContact CB-CE1 3.95Å; A337-F339 HydrophobicContact CB-CE2 3.66Å; A337-F339 HydrophobicContact CB-CZ 3.38Å; A337-F339 WeakPolarHBondContact O-CD2 3.24Å; A337-F339 WeakPolarHBondContact O-CE2 3.34Å
340S48.5Very low64.2Low189 Ų189127.5 Ų127.5100%1.32268%0.682SS**  trans-104.60171.667.50000110.6

Retrieved 340 of 340 residues in 1002 ms (Link to these results)