A0A077ZC25_TRITR Loading...

CRAL TRIO domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZC25, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 388 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
1M61.5Low78.4Confident207 Ų207112.6 Ų112.6100%1.0259%0.585SS**  0-49.70-130.9-172.1-91.700112.2A3 L4 R5M1-A3 PolarHBondContact O-N 2.95Å; M1-L4 PolarHBondContact O-N 3.24Å; M1-R5 PolarHBondContact O-N 3.37Å; M1-R5 VanDerWaalsContact O-N 3.16Å
2I63.8Low79.8Confident150 Ų150109.8 Ų109.877%0.76957%0.567SS**Hα-helixtrans-57.1-48.3-179.7-60.1172.8000112.7L4 R5 S6I2-L4 PolarHBondContact O-N 3.19Å; I2-R5 PolarHBondContact O-N 3.43Å; I2-S6 PolarHBondContact O-N 2.95Å; I2-S6 PolarHBondContact O-OG 3.33Å
3A69.2Low81.1Confident73 Ų73110.7 Ų110.760%0.60357%0.567SS**Hα-helixtrans-63.9-35.5-179.200000114.5M1 S6 Q7M1-A3 PolarHBondContact O-N 2.95Å; A3-S6 WeakPolarHBondContact CA-OG 3.36Å; A3-S6 PolarHBondContact O-OG 3.16Å; A3-Q7 PolarHBondContact O-N 3.11Å
4L64.6Low82.3Confident115 Ų115106.6 Ų106.660%0.60254%0.544SS*.Hα-helixtrans-71.3-34.9176.3-76.5168000111.6M1 I2 K8M1-L4 PolarHBondContact O-N 3.24Å; I2-L4 PolarHBondContact O-N 3.19Å; L4-K8 PolarHBondContact O-N 3.27Å
5R70Confident83.3Confident183 Ų183100 Ų10069%0.69151%0.51SS*.Hα-helixtrans-66.1-46.4174.9-166.2174.3-178.9177.90.6110M1 I2 Q7 K8 D9M1-R5 PolarHBondContact O-N 3.37Å; M1-R5 VanDerWaalsContact O-N 3.16Å; I2-R5 PolarHBondContact O-N 3.43Å; R5-Q7 VanDerWaalsContact C-N 3.33Å; R5-Q7 PolarHBondContact O-N 3.47Å; R5-K8 PolarHBondContact O-N 3.41Å; R5-D9 WeakPolarHBondContact O-CB 3.49Å; R5-D9 PolarHBondContact O-N 3.16Å; R5-D9 VanDerWaalsContact O-OD2 3.14Å
6S83Confident84.3Confident67 Ų6798.4 Ų98.447%0.46950%0.503SS..Hα-helixtrans-62.9-35.6177.259.70000113.6I2 A3 A10I2-S6 PolarHBondContact O-N 2.95Å; I2-S6 PolarHBondContact O-OG 3.33Å; A3-S6 WeakPolarHBondContact CA-OG 3.36Å; A3-S6 PolarHBondContact O-OG 3.16Å; S6-A10 WeakPolarHBondContact O-CB 3.47Å; S6-A10 PolarHBondContact O-N 3.48Å
7Q85.6Confident85.1Confident102 Ų10299.9 Ų99.948%0.47751%0.508SS..Hα-helixtrans-66.5-47.7175.8-177.3-179.8-11.700111.6A3 R5 D9 A10 E11A3-Q7 PolarHBondContact O-N 3.11Å; R5-Q7 VanDerWaalsContact C-N 3.33Å; R5-Q7 PolarHBondContact O-N 3.47Å; Q7-D9 VanDerWaalsContact C-N 3.31Å; Q7-D9 PolarHBondContact O-N 3.07Å; Q7-A10 PolarHBondContact O-N 3.28Å; Q7-E11 HydrophobicContact CG-CG 4.44Å; Q7-E11 PolarHBondContact NE2-OE1 3.21Å; Q7-E11 WeakPolarHBondContact O-CG 3.37Å; Q7-E11 PolarHBondContact O-N 3.23Å
8K86Confident85.8Confident144 Ų14494.9 Ų94.963%0.62648%0.482SS*.Hα-helixtrans-62.7-39.9178.5-74-175.8176.5-173.50112.1L4 R5 A10 E11 E12L4-K8 PolarHBondContact O-N 3.27Å; R5-K8 PolarHBondContact O-N 3.41Å; K8-A10 VanDerWaalsContact C-N 3.33Å; K8-E11 PolarHBondContact O-N 3.12Å; K8-E12 WeakPolarHBondContact O-CB 3.15Å; K8-E12 PolarHBondContact O-N 3.07Å
9D90.9Very high86.4Confident93 Ų9391.1 Ų91.150%0.49746%0.462SS..Hα-helixtrans-63.3-41.5177.3-63.7-21.6000110.5R5 Q7 E12 E13R5-D9 WeakPolarHBondContact O-CB 3.49Å; R5-D9 PolarHBondContact O-N 3.16Å; R5-D9 VanDerWaalsContact O-OD2 3.14Å; Q7-D9 VanDerWaalsContact C-N 3.31Å; Q7-D9 PolarHBondContact O-N 3.07Å; D9-E12 PolarHBondContact O-N 2.93Å; D9-E13 WeakPolarHBondContact O-CB 3.28Å; D9-E13 PolarHBondContact O-N 2.84Å
10A93.5Very high87Confident53 Ų5390.7 Ų90.744%0.43847%0.474SS..Hα-helixtrans-68.4-39.1175.800000113.4S6 Q7 K8 E12 E13 E14S6-A10 WeakPolarHBondContact O-CB 3.47Å; S6-A10 PolarHBondContact O-N 3.48Å; Q7-A10 PolarHBondContact O-N 3.28Å; K8-A10 VanDerWaalsContact C-N 3.33Å; A10-E12 VanDerWaalsContact C-N 3.34Å; A10-E13 PolarHBondContact O-N 3.18Å; A10-E14 PolarHBondContact O-N 3.2Å
11E94.7Very high87.5Confident52 Ų5293.3 Ų93.324%0.24348%0.481CS..Hα-helixtrans-64.6-40.1175-73.4176-176.500111.6Q7 K8 E14 I15 V33Q7-E11 HydrophobicContact CG-CG 4.44Å; Q7-E11 PolarHBondContact NE2-OE1 3.21Å; Q7-E11 WeakPolarHBondContact O-CG 3.37Å; Q7-E11 PolarHBondContact O-N 3.23Å; K8-E11 PolarHBondContact O-N 3.12Å; E11-E14 PolarHBondContact O-N 2.8Å; E11-I15 WeakPolarHBondContact O-CD1 3.49Å; E11-I15 VanDerWaalsContact O-CG1 3.26Å; E11-I15 WeakPolarHBondContact O-CG1 3.38Å; E11-I15 PolarHBondContact O-N 3.25Å; E11-I15 VanDerWaalsContact O-N 3.1Å; E11-V33 HydrophobicContact CB-CB 4.14Å; E11-V33 HydrophobicContact CB-CG1 4.44Å; E11-V33 HydrophobicContact CB-CG2 4.33Å; E11-V33 HydrophobicContact CG-CB 4.11Å; E11-V33 HydrophobicContact CG-CG1 3.95Å; E11-V33 HydrophobicContact CG-CG2 4.18Å
12E95.4Very high89.2Confident79 Ų7983.6 Ų83.637%0.36943%0.433SS..Hα-helixtrans-66.1-40175.6-175.457.9-145.200111.4K8 D9 A10 I15 N16 R31K8-E12 WeakPolarHBondContact O-CB 3.15Å; K8-E12 PolarHBondContact O-N 3.07Å; D9-E12 PolarHBondContact O-N 2.93Å; A10-E12 VanDerWaalsContact C-N 3.34Å; E12-I15 PolarHBondContact O-N 3.19Å; E12-N16 WeakPolarHBondContact O-CB 3.49Å; E12-N16 VanDerWaalsContact O-CG 3.25Å; E12-N16 PolarHBondContact O-N 3.22Å; E12-N16 PolarHBondContact O-ND2 3.35Å; E12-N16 PolarHBondContact OE1-ND2 3.38Å; E12-R31 VanDerWaalsContact CD-NH1 3.29Å; E12-R31 IonicContact OE1-CZ 2.93Å; E12-R31 VanDerWaalsContact OE1-CZ 3.29Å; E12-R31 IonicContact OE1-NH1 3.43Å; E12-R31 PolarHBondContact OE1-NH1 3.02Å; E12-R31 IonicContact OE1-NH2 3.76Å; E12-R31 PolarHBondContact OE1-NH2 3.14Å; E12-R31 IonicContact OE2-NH1 3.29Å; E12-R31 PolarHBondContact OE2-NH1 2.79Å; E12-R31 VanDerWaalsContact OE2-NH1 3.07Å
13E96.6Very high90.8Very high121 Ų12178.8 Ų78.857%0.56542%0.421SS*.Hα-helixtrans-60-46.8172.9-172.5171.5-160.700111.8D9 A10 I15 N16 E17D9-E13 WeakPolarHBondContact O-CB 3.28Å; D9-E13 PolarHBondContact O-N 2.84Å; A10-E13 PolarHBondContact O-N 3.18Å; E13-I15 VanDerWaalsContact C-N 3.31Å; E13-I15 PolarHBondContact O-N 3.15Å; E13-N16 PolarHBondContact O-N 2.94Å; E13-N16 VanDerWaalsContact O-N 3.16Å; E13-E17 WeakPolarHBondContact O-CG 3.42Å; E13-E17 PolarHBondContact O-N 2.94Å
14E97.2Very high92Very high54 Ų5476.5 Ų76.525%0.25240%0.398SS..Hα-helixtrans-60.3-40.2177.7-166.5-175.3151.200112.1A10 E11 F18 V33 I36 R37A10-E14 PolarHBondContact O-N 3.2Å; E11-E14 PolarHBondContact O-N 2.8Å; E14-F18 WeakPolarHBondContact O-CB 3.46Å; E14-F18 PolarHBondContact O-N 3.21Å; E14-V33 HydrophobicContact CB-CG2 4.45Å; E14-V33 HydrophobicContact CG-CG2 4.47Å; E14-V33 WeakPolarHBondContact OE2-CG2 3.47Å; E14-I36 HydrophobicContact CB-CD1 4.36Å; E14-I36 HydrophobicContact CG-CD1 3.75Å; E14-R37 WeakPolarHBondContact OE1-CG 3.28Å; E14-R37 IonicContact OE1-CZ 3.2Å; E14-R37 IonicContact OE1-NE 3.94Å; E14-R37 PolarHBondContact OE1-NE 2.79Å; E14-R37 IonicContact OE1-NH2 3.09Å; E14-R37 IonicContact OE2-CZ 3.02Å; E14-R37 IonicContact OE2-NE 2.69Å; E14-R37 PolarHBondContact OE2-NE 2.87Å; E14-R37 IonicContact OE2-NH2 3.07Å; E14-R37 PolarHBondContact OE2-NH2 2.96Å
15I98.1Very high93.5Very high7 Ų775.7 Ų75.74%0.03640%0.401CS..Hα-helixtrans-65-46.5175.4-65.5164.3000110.5E11 E12 E13 E17 F18 E19 R31 I36E11-I15 WeakPolarHBondContact O-CD1 3.49Å; E11-I15 VanDerWaalsContact O-CG1 3.26Å; E11-I15 WeakPolarHBondContact O-CG1 3.38Å; E11-I15 PolarHBondContact O-N 3.25Å; E11-I15 VanDerWaalsContact O-N 3.1Å; E12-I15 PolarHBondContact O-N 3.19Å; E13-I15 VanDerWaalsContact C-N 3.31Å; E13-I15 PolarHBondContact O-N 3.15Å; I15-E17 VanDerWaalsContact C-N 3.35Å; I15-E17 PolarHBondContact O-N 3.29Å; I15-F18 WeakPolarHBondContact O-CB 3.38Å; I15-F18 PolarHBondContact O-N 2.86Å; I15-E19 HydrophobicContact CG2-CG 4.3Å; I15-E19 WeakPolarHBondContact O-CG 3.01Å; I15-E19 PolarHBondContact O-N 2.92Å; I15-R31 HydrophobicContact CG2-CG 3.67Å; I15-I36 HydrophobicContact CG1-CD1 4.19Å; I15-I36 HydrophobicContact CG1-CG1 4.36Å
16N98Very high94.8Very high74 Ų7467.2 Ų67.240%0.39637%0.369SS..Hα-helixtrans-61.5-42.6179.3-73.5-42.1000111.9E12 E13 E19 A20 R31E12-N16 WeakPolarHBondContact O-CB 3.49Å; E12-N16 VanDerWaalsContact O-CG 3.25Å; E12-N16 PolarHBondContact O-N 3.22Å; E12-N16 PolarHBondContact O-ND2 3.35Å; E12-N16 PolarHBondContact OE1-ND2 3.38Å; E13-N16 PolarHBondContact O-N 2.94Å; E13-N16 VanDerWaalsContact O-N 3.16Å; N16-E19 PolarHBondContact O-N 2.93Å; N16-A20 VanDerWaalsContact O-CB 3.26Å; N16-A20 WeakPolarHBondContact O-CB 3.22Å; N16-A20 PolarHBondContact O-N 3.35Å; N16-R31 PolarHBondContact OD1-NH2 3.26Å
17E97.8Very high95.3Very high125 Ų12565.7 Ų65.758%0.58436%0.358SS*.Hα-helixtrans-61.8-42.8174.4-73.4-171.816900112.1E13 I15 K21E13-E17 WeakPolarHBondContact O-CG 3.42Å; E13-E17 PolarHBondContact O-N 2.94Å; I15-E17 VanDerWaalsContact C-N 3.35Å; I15-E17 PolarHBondContact O-N 3.29Å; E17-K21 WeakPolarHBondContact O-CB 3.49Å; E17-K21 PolarHBondContact O-N 3.03Å
18F98.3Very high95.7Very high9 Ų965.3 Ų65.34%0.03937%0.372CS..Hα-helixtrans-59.8-52174.8173.8-88.5000111.1E14 I15 A20 K21 I22 L26 I36 W39 L40 I50 L54E14-F18 WeakPolarHBondContact O-CB 3.46Å; E14-F18 PolarHBondContact O-N 3.21Å; I15-F18 WeakPolarHBondContact O-CB 3.38Å; I15-F18 PolarHBondContact O-N 2.86Å; F18-A20 VanDerWaalsContact C-N 3.33Å; F18-A20 PolarHBondContact O-N 3.14Å; F18-K21 PolarHBondContact O-N 2.81Å; F18-I22 HydrophobicContact CD1-CG1 4.28Å; F18-I22 HydrophobicContact CD2-CG1 3.93Å; F18-I22 HydrophobicContact CE1-CB 4.45Å; F18-I22 HydrophobicContact CE1-CG1 4.05Å; F18-I22 HydrophobicContact CE2-CD1 4.38Å; F18-I22 HydrophobicContact CE2-CG1 3.69Å; F18-I22 HydrophobicContact CG-CG1 4.22Å; F18-I22 HydrophobicContact CZ-CG1 3.76Å; F18-I22 VanDerWaalsContact O-CB 3.3Å; F18-I22 WeakPolarHBondContact O-CB 3.32Å; F18-I22 VanDerWaalsContact O-CG1 3.24Å; F18-I22 WeakPolarHBondContact O-CG1 3.48Å; F18-I22 PolarHBondContact O-N 2.9Å; F18-L26 HydrophobicContact CD1-CD1 4.49Å; F18-L26 HydrophobicContact CE1-CD1 4.12Å; F18-I36 HydrophobicContact CB-CB 4.36Å; F18-I36 HydrophobicContact CB-CD1 3.88Å; F18-I36 HydrophobicContact CB-CG2 4.32Å; F18-I36 HydrophobicContact CD1-CB 4.08Å; F18-I36 HydrophobicContact CD1-CG2 3.53Å; F18-I36 HydrophobicContact CD2-CB 3.96Å; F18-I36 HydrophobicContact CD2-CG2 4.34Å; F18-I36 HydrophobicContact CE1-CB 4.37Å; F18-I36 HydrophobicContact CE1-CG2 3.84Å; F18-I36 HydrophobicContact CE2-CB 4.24Å; F18-I36 HydrophobicContact CG-CB 3.87Å; F18-I36 HydrophobicContact CG-CD1 4.31Å; F18-I36 HydrophobicContact CG-CG2 3.81Å; F18-I36 HydrophobicContact CZ-CB 4.44Å; F18-I36 HydrophobicContact CZ-CG2 4.36Å; F18-W39 HydrophobicContact CE2-CB 4.22Å; F18-W39 HydrophobicContact CZ-CB 4.16Å; F18-L40 HydrophobicContact CD2-CD1 4.17Å; F18-L40 HydrophobicContact CD2-CD2 3.92Å; F18-L40 HydrophobicContact CD2-CG 3.92Å; F18-L40 HydrophobicContact CE2-CD2 4.08Å; F18-L40 HydrophobicContact CE2-CG 4.04Å; F18-I50 HydrophobicContact CE2-CG2 4.14Å; F18-I50 HydrophobicContact CZ-CG2 4.01Å; F18-L54 HydrophobicContact CE1-CD2 4.16Å; F18-L54 HydrophobicContact CZ-CD2 4.17Å
19E98.3Very high95.9Very high23 Ų2361.5 Ų61.511%0.10736%0.359CS..Hα-helixtrans-62.2-41.1-178.5-69.1-176.2142.400111.5I15 N16 G23 I24 L26 R31I15-E19 HydrophobicContact CG2-CG 4.3Å; I15-E19 WeakPolarHBondContact O-CG 3.01Å; I15-E19 PolarHBondContact O-N 2.92Å; N16-E19 PolarHBondContact O-N 2.93Å; E19-G23 VanDerWaalsContact O-CA 3.31Å; E19-G23 WeakPolarHBondContact O-CA 3.25Å; E19-G23 PolarHBondContact O-N 2.78Å; E19-I24 WeakPolarHBondContact CG-O 3.22Å; E19-I24 PolarHBondContact O-N 2.79Å; E19-L26 PolarHBondContact OE1-N 2.89Å; E19-R31 VanDerWaalsContact CD-NE 3.33Å; E19-R31 WeakPolarHBondContact OE1-CD 3.33Å; E19-R31 IonicContact OE1-NE 3.09Å; E19-R31 PolarHBondContact OE1-NE 3.12Å; E19-R31 VanDerWaalsContact OE1-NE 3.09Å; E19-R31 IonicContact OE2-CZ 2.81Å; E19-R31 IonicContact OE2-NE 3.97Å; E19-R31 PolarHBondContact OE2-NE 3.16Å; E19-R31 IonicContact OE2-NH2 3.76Å; E19-R31 PolarHBondContact OE2-NH2 2.82Å
20A97.7Very high96.1Very high83 Ų8357.2 Ų57.269%0.68634%0.335SS*.Hα-helixtrans-63.8-44.7175.500000112.2N16 F18N16-A20 VanDerWaalsContact O-CB 3.26Å; N16-A20 WeakPolarHBondContact O-CB 3.22Å; N16-A20 PolarHBondContact O-N 3.35Å; F18-A20 VanDerWaalsContact C-N 3.33Å; F18-A20 PolarHBondContact O-N 3.14Å
21K97.5Very high96.3Very high146 Ų14657.6 Ų57.664%0.63533%0.326SS*.Hα-helixtrans-70.7-39.5-179.3-177173.5-177.5176.50112.8E17 F18 A47E17-K21 WeakPolarHBondContact O-CB 3.49Å; E17-K21 PolarHBondContact O-N 3.03Å; F18-K21 PolarHBondContact O-N 2.81Å; K21-A47 HydrophobicContact CG-CB 4.33Å
22I97.4Very high96.4Very high2 Ų257.1 Ų57.11%0.0133%0.326CS..Hα-helixtrans-81.5-28.7-179.2-61.5-53.8000111.3F18 I24 A47 I50 R51 L54F18-I22 HydrophobicContact CD1-CG1 4.28Å; F18-I22 HydrophobicContact CD2-CG1 3.93Å; F18-I22 HydrophobicContact CE1-CB 4.45Å; F18-I22 HydrophobicContact CE1-CG1 4.05Å; F18-I22 HydrophobicContact CE2-CD1 4.38Å; F18-I22 HydrophobicContact CE2-CG1 3.69Å; F18-I22 HydrophobicContact CG-CG1 4.22Å; F18-I22 HydrophobicContact CZ-CG1 3.76Å; F18-I22 VanDerWaalsContact O-CB 3.3Å; F18-I22 WeakPolarHBondContact O-CB 3.32Å; F18-I22 VanDerWaalsContact O-CG1 3.24Å; F18-I22 WeakPolarHBondContact O-CG1 3.48Å; F18-I22 PolarHBondContact O-N 2.9Å; I22-I24 HydrophobicContact CG2-CB 4.14Å; I22-I24 HydrophobicContact CG2-CD1 3.95Å; I22-I24 HydrophobicContact CG2-CG1 4.04Å; I22-A47 HydrophobicContact CD1-CB 3.88Å; I22-I50 HydrophobicContact CD1-CB 3.92Å; I22-I50 HydrophobicContact CD1-CD1 4.5Å; I22-I50 HydrophobicContact CD1-CG2 3.7Å; I22-I50 HydrophobicContact CG1-CG2 4.08Å; I22-I50 HydrophobicContact CG2-CG2 4.24Å; I22-R51 HydrophobicContact CG2-CB 4.05Å; I22-R51 HydrophobicContact CG2-CG 4.48Å; I22-R51 VanDerWaalsContact O-CD 3.23Å; I22-R51 WeakPolarHBondContact O-CD 3.37Å; I22-R51 WeakPolarHBondContact O-CG 3.48Å; I22-L54 HydrophobicContact CG2-CD2 4.16Å
23G96.1Very high96.5Very high49 Ų4953.6 Ų53.651%0.50531%0.31SS..THydrogen-bonded Turntrans73.531.5-17700000112.9E19E19-G23 VanDerWaalsContact O-CA 3.31Å; E19-G23 WeakPolarHBondContact O-CA 3.25Å; E19-G23 PolarHBondContact O-N 2.78Å
24I95.4Very high96.5Very high25 Ų2549.4 Ų49.413%0.12829%0.29CS..  trans-136.9123.9178.7-60.7175000107.8E19 I22 R51 L54 H55E19-I24 WeakPolarHBondContact CG-O 3.22Å; E19-I24 PolarHBondContact O-N 2.79Å; I22-I24 HydrophobicContact CG2-CB 4.14Å; I22-I24 HydrophobicContact CG2-CD1 3.95Å; I22-I24 HydrophobicContact CG2-CG1 4.04Å; I24-R51 HydrophobicContact CD1-CG 4.25Å; I24-L54 HydrophobicContact CB-CD2 4.21Å; I24-L54 HydrophobicContact CD1-CB 4.02Å; I24-L54 HydrophobicContact CD1-CD2 4.02Å; I24-L54 HydrophobicContact CD1-CG 3.94Å; I24-L54 HydrophobicContact CG2-CD2 4.09Å; I24-L54 HydrophobicContact CG2-CG 4.3Å; I24-H55 HydrophobicContact CD1-CB 3.89Å
25C96Very high96.6Very high99 Ų9947 Ų4767%0.66928%0.279SS*.PPolyproline II helixtrans-83.7127.1170.8-176.70000109.5
26L96.7Very high96.6Very high5 Ų546.7 Ų46.73%0.02628%0.278CS..PPolyproline II helixtrans-83141.1-179.8-67.6178.2000110.7F18 E19 R31 I36 L54F18-L26 HydrophobicContact CD1-CD1 4.49Å; F18-L26 HydrophobicContact CE1-CD1 4.12Å; E19-L26 PolarHBondContact OE1-N 2.89Å; L26-R31 HydrophobicContact CB-CB 4.02Å; L26-R31 HydrophobicContact CB-CG 4.25Å; L26-I36 HydrophobicContact CD1-CG2 3.62Å; L26-L54 HydrophobicContact CD2-CD1 4Å; L26-L54 HydrophobicContact CD2-CD2 3.89Å; L26-L54 HydrophobicContact CD2-CG 4.45Å
27P95.1Very high96.6Very high34 Ų3447.6 Ų47.622%0.22128%0.276CS..PPolyproline II helixtrans-57.4148.3168.6-25.335.2000112.1D29 M30 R31 M58P27-D29 VanDerWaalsContact CB-OD1 3.26Å; P27-D29 WeakPolarHBondContact CB-OD1 3.3Å; P27-D29 PolarHBondContact O-N 3.15Å; P27-D29 VanDerWaalsContact O-N 3.11Å; P27-M30 HydrophobicContact CB-CE 4.12Å; P27-M30 HydrophobicContact CG-CE 3.57Å; P27-M30 CarbonylContact O-C 3.54Å; P27-M30 PolarHBondContact O-N 3.29Å; P27-R31 WeakPolarHBondContact O-CB 3.37Å; P27-R31 PolarHBondContact O-N 3Å; P27-M58 HydrophobicContact CG-CE 3.31Å; P27-M58 HydrophobicContact CG-SD 4.27Å
28A94.1Very high96.6Very high94 Ų9442.5 Ų42.578%0.77725%0.251SS*.THydrogen-bonded Turntrans-55.9-32.5-174.900000114.2M30A28-M30 VanDerWaalsContact C-N 3.27Å; A28-M30 PolarHBondContact O-N 2.76Å
29D90.3Very high96.6Very high65 Ų6542.4 Ų42.435%0.34825%0.251SS..THydrogen-bonded Turntrans-69.8-24.8177.865-42.4000113P27 R61 K140P27-D29 VanDerWaalsContact CB-OD1 3.26Å; P27-D29 WeakPolarHBondContact CB-OD1 3.3Å; P27-D29 PolarHBondContact O-N 3.15Å; P27-D29 VanDerWaalsContact O-N 3.11Å; D29-R61 IonicContact OD2-CZ 3.08Å; D29-R61 IonicContact OD2-NH1 3.29Å; D29-R61 IonicContact OD2-NH2 3.61Å; D29-R61 PolarHBondContact OD2-NH2 2.92Å; D29-K140 IonicContact OD2-NZ 3.69Å; D29-K140 PolarHBondContact OD2-NZ 2.93Å
30M94.2Very high96.6Very high2 Ų242.8 Ų42.81%0.0125%0.253CS..THydrogen-bonded Turntrans-109.7-5.3-178.2-63.3-170.8-64.300113.1P27 A28 T32 N35 Y57 M58 L143P27-M30 HydrophobicContact CB-CE 4.12Å; P27-M30 HydrophobicContact CG-CE 3.57Å; P27-M30 CarbonylContact O-C 3.54Å; P27-M30 PolarHBondContact O-N 3.29Å; A28-M30 VanDerWaalsContact C-N 3.27Å; A28-M30 PolarHBondContact O-N 2.76Å; M30-T32 VanDerWaalsContact C-N 3.27Å; M30-T32 PolarHBondContact O-N 2.93Å; M30-N35 VanDerWaalsContact O-CB 3.31Å; M30-N35 WeakPolarHBondContact O-CB 3.32Å; M30-N35 PolarHBondContact O-ND2 2.93Å; M30-Y57 HydrophobicContact CE-CE1 4.13Å; M30-Y57 HydrophobicContact SD-CE1 3.92Å; M30-Y57 PolarHBondContact SD-OH 3.02Å; M30-M58 HydrophobicContact CE-CE 4.18Å; M30-M58 HydrophobicContact CE-SD 3.63Å; M30-L143 HydrophobicContact CG-CD1 4.08Å
31R96.9Very high96.5Very high62 Ų6242.4 Ų42.423%0.23424%0.239CC..  trans-81.972.2-176.7-167.8172.4-175.4-82.21.5110.6E12 I15 N16 E19 L26 P27E12-R31 VanDerWaalsContact CD-NH1 3.29Å; E12-R31 IonicContact OE1-CZ 2.93Å; E12-R31 VanDerWaalsContact OE1-CZ 3.29Å; E12-R31 IonicContact OE1-NH1 3.43Å; E12-R31 PolarHBondContact OE1-NH1 3.02Å; E12-R31 IonicContact OE1-NH2 3.76Å; E12-R31 PolarHBondContact OE1-NH2 3.14Å; E12-R31 IonicContact OE2-NH1 3.29Å; E12-R31 PolarHBondContact OE2-NH1 2.79Å; E12-R31 VanDerWaalsContact OE2-NH1 3.07Å; I15-R31 HydrophobicContact CG2-CG 3.67Å; N16-R31 PolarHBondContact OD1-NH2 3.26Å; E19-R31 VanDerWaalsContact CD-NE 3.33Å; E19-R31 WeakPolarHBondContact OE1-CD 3.33Å; E19-R31 IonicContact OE1-NE 3.09Å; E19-R31 PolarHBondContact OE1-NE 3.12Å; E19-R31 VanDerWaalsContact OE1-NE 3.09Å; E19-R31 IonicContact OE2-CZ 2.81Å; E19-R31 IonicContact OE2-NE 3.97Å; E19-R31 PolarHBondContact OE2-NE 3.16Å; E19-R31 IonicContact OE2-NH2 3.76Å; E19-R31 PolarHBondContact OE2-NH2 2.82Å; L26-R31 HydrophobicContact CB-CB 4.02Å; L26-R31 HydrophobicContact CB-CG 4.25Å; P27-R31 WeakPolarHBondContact O-CB 3.37Å; P27-R31 PolarHBondContact O-N 3Å
32T97.3Very high96.5Very high41 Ų4135.6 Ų35.625%0.25221%0.211SC..SBendtrans-130.3152.8178.973.30000111.3M30 H34 N35 I36M30-T32 VanDerWaalsContact C-N 3.27Å; M30-T32 PolarHBondContact O-N 2.93Å; T32-H34 VanDerWaalsContact C-N 3.25Å; T32-H34 PolarHBondContact O-N 2.71Å; T32-N35 PolarHBondContact O-N 3.19Å; T32-N35 VanDerWaalsContact O-N 3.14Å; T32-N35 WeakPolarHBondContact OG1-CB 3.29Å; T32-N35 PolarHBondContact OG1-N 3.35Å; T32-N35 VanDerWaalsContact OG1-N 3.17Å; T32-I36 PolarHBondContact O-N 3.23Å; T32-I36 VanDerWaalsContact O-N 3.09Å
33V97.5Very high96.4Very high5 Ų536.7 Ų36.73%0.0322%0.215CC..Hα-helixtrans-60.6-37.4178.577.70000111.5E11 E14 N35 I36 R37E11-V33 HydrophobicContact CB-CB 4.14Å; E11-V33 HydrophobicContact CB-CG1 4.44Å; E11-V33 HydrophobicContact CB-CG2 4.33Å; E11-V33 HydrophobicContact CG-CB 4.11Å; E11-V33 HydrophobicContact CG-CG1 3.95Å; E11-V33 HydrophobicContact CG-CG2 4.18Å; E14-V33 HydrophobicContact CB-CG2 4.45Å; E14-V33 HydrophobicContact CG-CG2 4.47Å; E14-V33 WeakPolarHBondContact OE2-CG2 3.47Å; V33-N35 PolarHBondContact O-N 3.07Å; V33-I36 WeakPolarHBondContact O-CG1 3.38Å; V33-R37 WeakPolarHBondContact O-CB 3.33Å; V33-R37 WeakPolarHBondContact O-CG 3.38Å; V33-R37 PolarHBondContact O-N 3.47Å; V33-R37 VanDerWaalsContact O-N 3.08Å
34H97.6Very high96.4Very high33 Ų3342.6 Ų42.615%0.15323%0.229CC..Hα-helixtrans-65.5-39.6177-57.6-57.8000112T32 R37 R38 E146T32-H34 VanDerWaalsContact C-N 3.25Å; T32-H34 PolarHBondContact O-N 2.71Å; H34-R37 PolarHBondContact O-N 2.88Å; H34-R38 WeakPolarHBondContact O-CG 3.42Å; H34-R38 PolarHBondContact O-N 3.26Å; H34-E146 VanDerWaalsContact CB-CD 3.46Å; H34-E146 HydrophobicContact CB-CG 4.39Å; H34-E146 WeakPolarHBondContact CB-OE1 3.39Å; H34-E146 WeakPolarHBondContact CB-OE2 3.37Å
35N98Very high96.5Very high4 Ų448.5 Ų48.52%0.02125%0.25CC..Hα-helixtrans-68.5-43.4179-171.153.9000112.4M30 T32 V33 R37 R38 W39 L143M30-N35 VanDerWaalsContact O-CB 3.31Å; M30-N35 WeakPolarHBondContact O-CB 3.32Å; M30-N35 PolarHBondContact O-ND2 2.93Å; T32-N35 PolarHBondContact O-N 3.19Å; T32-N35 VanDerWaalsContact O-N 3.14Å; T32-N35 WeakPolarHBondContact OG1-CB 3.29Å; T32-N35 PolarHBondContact OG1-N 3.35Å; T32-N35 VanDerWaalsContact OG1-N 3.17Å; V33-N35 PolarHBondContact O-N 3.07Å; N35-R37 VanDerWaalsContact C-N 3.31Å; N35-R37 PolarHBondContact O-N 3.29Å; N35-R38 WeakPolarHBondContact O-CB 3.23Å; N35-R38 PolarHBondContact O-N 2.97Å; N35-R38 PolarHBondContact OD1-NH1 3.14Å; N35-W39 VanDerWaalsContact O-CD1 3.3Å; N35-W39 PolarHBondContact O-N 2.82Å; N35-L143 HydrophobicContact CB-CD2 4.2Å
36I98Very high96.6Very high0 Ų047.3 Ų47.30%024%0.237CC..Hα-helixtrans-64.9-37.2176.663147.3000111.7E14 I15 F18 L26 T32 V33 R38 W39 L40E14-I36 HydrophobicContact CB-CD1 4.36Å; E14-I36 HydrophobicContact CG-CD1 3.75Å; I15-I36 HydrophobicContact CG1-CD1 4.19Å; I15-I36 HydrophobicContact CG1-CG1 4.36Å; F18-I36 HydrophobicContact CB-CB 4.36Å; F18-I36 HydrophobicContact CB-CD1 3.88Å; F18-I36 HydrophobicContact CB-CG2 4.32Å; F18-I36 HydrophobicContact CD1-CB 4.08Å; F18-I36 HydrophobicContact CD1-CG2 3.53Å; F18-I36 HydrophobicContact CD2-CB 3.96Å; F18-I36 HydrophobicContact CD2-CG2 4.34Å; F18-I36 HydrophobicContact CE1-CB 4.37Å; F18-I36 HydrophobicContact CE1-CG2 3.84Å; F18-I36 HydrophobicContact CE2-CB 4.24Å; F18-I36 HydrophobicContact CG-CB 3.87Å; F18-I36 HydrophobicContact CG-CD1 4.31Å; F18-I36 HydrophobicContact CG-CG2 3.81Å; F18-I36 HydrophobicContact CZ-CB 4.44Å; F18-I36 HydrophobicContact CZ-CG2 4.36Å; L26-I36 HydrophobicContact CD1-CG2 3.62Å; T32-I36 PolarHBondContact O-N 3.23Å; T32-I36 VanDerWaalsContact O-N 3.09Å; V33-I36 WeakPolarHBondContact O-CG1 3.38Å; I36-R38 VanDerWaalsContact C-N 3.35Å; I36-R38 PolarHBondContact O-N 3.2Å; I36-W39 WeakPolarHBondContact O-CB 3.22Å; I36-W39 PolarHBondContact O-N 2.76Å; I36-W39 VanDerWaalsContact O-N 3.16Å; I36-L40 WeakPolarHBondContact O-CG 3.31Å; I36-L40 PolarHBondContact O-N 3.47Å
37R98Very high96.7Very high93 Ų9348.4 Ų48.435%0.35125%0.246SC..Hα-helixtrans-64.4-39.4176.8-73.8172.6-177.8169.33.8111.4E14 V33 H34 N35 W39 L40 D41E14-R37 WeakPolarHBondContact OE1-CG 3.28Å; E14-R37 IonicContact OE1-CZ 3.2Å; E14-R37 IonicContact OE1-NE 3.94Å; E14-R37 PolarHBondContact OE1-NE 2.79Å; E14-R37 IonicContact OE1-NH2 3.09Å; E14-R37 IonicContact OE2-CZ 3.02Å; E14-R37 IonicContact OE2-NE 2.69Å; E14-R37 PolarHBondContact OE2-NE 2.87Å; E14-R37 IonicContact OE2-NH2 3.07Å; E14-R37 PolarHBondContact OE2-NH2 2.96Å; V33-R37 WeakPolarHBondContact O-CB 3.33Å; V33-R37 WeakPolarHBondContact O-CG 3.38Å; V33-R37 PolarHBondContact O-N 3.47Å; V33-R37 VanDerWaalsContact O-N 3.08Å; H34-R37 PolarHBondContact O-N 2.88Å; N35-R37 VanDerWaalsContact C-N 3.31Å; N35-R37 PolarHBondContact O-N 3.29Å; R37-W39 VanDerWaalsContact C-N 3.31Å; R37-W39 PolarHBondContact O-N 3.25Å; R37-L40 PolarHBondContact O-N 3.34Å; R37-D41 WeakPolarHBondContact O-CB 3.47Å; R37-D41 PolarHBondContact O-N 2.94Å
38R98Very high96.8Very high18 Ų1857.3 Ų57.37%0.06828%0.276CS..Hα-helixtrans-56.8-41.5171.8-79.1-172.1-95.7100.4-2112.7H34 N35 I36 G42 E146 C192 E193H34-R38 WeakPolarHBondContact O-CG 3.42Å; H34-R38 PolarHBondContact O-N 3.26Å; N35-R38 WeakPolarHBondContact O-CB 3.23Å; N35-R38 PolarHBondContact O-N 2.97Å; N35-R38 PolarHBondContact OD1-NH1 3.14Å; I36-R38 VanDerWaalsContact C-N 3.35Å; I36-R38 PolarHBondContact O-N 3.2Å; R38-G42 PolarHBondContact O-N 2.83Å; R38-E146 IonicContact CZ-OE1 2.77Å; R38-E146 IonicContact NE-OE1 3.71Å; R38-E146 PolarHBondContact NE-OE1 3.06Å; R38-E146 VanDerWaalsContact NH2-CD 3.35Å; R38-E146 IonicContact NH2-OE1 2.71Å; R38-E146 PolarHBondContact NH2-OE1 3.25Å; R38-E146 IonicContact NH2-OE2 3.93Å; R38-E146 PolarHBondContact NH2-OE2 3.23Å; R38-C192 PolarHBondContact O-SG 2.94Å; R38-E193 HydrophobicContact CB-CB 4.24Å; R38-E193 WeakPolarHBondContact CD-O 3.31Å; R38-E193 HydrophobicContact CG-CB 4.09Å
39W98.2Very high96.9Very high8 Ų857.3 Ų57.33%0.0326%0.258CS..Hα-helixtrans-67.5-45.8174.1-78.8101.5000113F18 N35 I36 R37 W43 I50 L53 L54 Y57 Y190F18-W39 HydrophobicContact CE2-CB 4.22Å; F18-W39 HydrophobicContact CZ-CB 4.16Å; N35-W39 VanDerWaalsContact O-CD1 3.3Å; N35-W39 PolarHBondContact O-N 2.82Å; I36-W39 WeakPolarHBondContact O-CB 3.22Å; I36-W39 PolarHBondContact O-N 2.76Å; I36-W39 VanDerWaalsContact O-N 3.16Å; R37-W39 VanDerWaalsContact C-N 3.31Å; R37-W39 PolarHBondContact O-N 3.25Å; W39-W43 AromaticContact CE3-CD1 3.68Å; W39-W43 AromaticContact CE3-NE1 3.67Å; W39-W43 AromaticContact CZ3-NE1 3.63Å; W39-W43 PolarHBondContact O-N 2.79Å; W39-W43 VanDerWaalsContact O-N 3.15Å; W39-I50 HydrophobicContact CB-CG2 4.34Å; W39-I50 HydrophobicContact CE3-CG2 4.34Å; W39-L53 HydrophobicContact CZ3-CB 3.96Å; W39-L54 HydrophobicContact CD2-CD1 4.41Å; W39-L54 HydrophobicContact CE3-CB 4.49Å; W39-L54 HydrophobicContact CH2-CB 4.33Å; W39-L54 HydrophobicContact CH2-CD1 4.31Å; W39-L54 HydrophobicContact CZ2-CB 4.5Å; W39-L54 HydrophobicContact CZ2-CD1 3.69Å; W39-L54 HydrophobicContact CZ3-CB 4.32Å; W39-Y57 HydrophobicContact CZ2-CD1 4.16Å; W39-Y57 HydrophobicContact CZ2-CG 4.39Å; W39-Y190 WeakPolarHBondContact CZ2-O 3.13Å
40L98.1Very high97.3Very high30 Ų3054.2 Ų54.216%0.15724%0.242CC..Hα-helixtrans-62.2-52.1179.5-72171.5000111.5F18 I36 R37 W43 Q44 R45 I50F18-L40 HydrophobicContact CD2-CD1 4.17Å; F18-L40 HydrophobicContact CD2-CD2 3.92Å; F18-L40 HydrophobicContact CD2-CG 3.92Å; F18-L40 HydrophobicContact CE2-CD2 4.08Å; F18-L40 HydrophobicContact CE2-CG 4.04Å; I36-L40 WeakPolarHBondContact O-CG 3.31Å; I36-L40 PolarHBondContact O-N 3.47Å; R37-L40 PolarHBondContact O-N 3.34Å; L40-W43 CarbonylContact O-C 3.59Å; L40-W43 PolarHBondContact O-N 2.77Å; L40-Q44 PolarHBondContact O-N 2.84Å; L40-R45 HydrophobicContact CB-CG 4.16Å; L40-R45 HydrophobicContact CD2-CB 4.48Å; L40-R45 HydrophobicContact CD2-CG 4.22Å; L40-R45 PolarHBondContact O-N 2.9Å; L40-I50 HydrophobicContact CD2-CD1 4.04Å
41D96.8Very high97.5Very high75 Ų7561 Ų6140%0.40127%0.267SS..Hα-helixtrans-70.8-40.6-176.3-68.1-30000111.5R37 W43 Q44 R45 E193R37-D41 WeakPolarHBondContact O-CB 3.47Å; R37-D41 PolarHBondContact O-N 2.94Å; D41-W43 VanDerWaalsContact C-N 3.32Å; D41-W43 PolarHBondContact O-N 3.43Å; D41-Q44 PolarHBondContact O-N 2.84Å; D41-R45 IonicContact OD1-CZ 3.72Å; D41-R45 VanDerWaalsContact OD1-CZ 3.29Å; D41-R45 IonicContact OD1-NH1 2.69Å; D41-R45 PolarHBondContact OD1-NH1 2.72Å; D41-R45 IonicContact OD1-NH2 2.88Å; D41-R45 PolarHBondContact OD1-NH2 2.87Å; D41-E193 HydrophobicContact CB-CG 4.21Å
42G96.1Very high97.5Very high3 Ų365.4 Ų65.43%0.03129%0.288CS..Hα-helixtrans-53.1-5217400000111.4R38 R221R38-G42 PolarHBondContact O-N 2.83Å; G42-R221 PolarHBondContact O-NH1 3.39Å
43W96.9Very high97.5Very high26 Ų2664.3 Ų64.310%0.09828%0.28CS..THydrogen-bonded Turntrans-99.722.3-173.8-59.5107.9000114W39 L40 D41 R45 D46 K49 I50 L53 E189 C192W39-W43 AromaticContact CE3-CD1 3.68Å; W39-W43 AromaticContact CE3-NE1 3.67Å; W39-W43 AromaticContact CZ3-NE1 3.63Å; W39-W43 PolarHBondContact O-N 2.79Å; W39-W43 VanDerWaalsContact O-N 3.15Å; L40-W43 CarbonylContact O-C 3.59Å; L40-W43 PolarHBondContact O-N 2.77Å; D41-W43 VanDerWaalsContact C-N 3.32Å; D41-W43 PolarHBondContact O-N 3.43Å; W43-R45 PolarHBondContact O-N 3.49Å; W43-R45 VanDerWaalsContact O-N 3.12Å; W43-D46 VanDerWaalsContact O-CB 3.31Å; W43-D46 WeakPolarHBondContact O-CB 3.34Å; W43-D46 PolarHBondContact O-N 2.83Å; W43-K49 HydrophobicContact CD2-CD 4.29Å; W43-K49 HydrophobicContact CD2-CG 4.44Å; W43-K49 HydrophobicContact CE3-CD 3.63Å; W43-K49 HydrophobicContact CE3-CG 4.23Å; W43-K49 HydrophobicContact CZ3-CD 4.19Å; W43-I50 HydrophobicContact CB-CD1 4.16Å; W43-I50 HydrophobicContact CB-CG1 3.57Å; W43-I50 HydrophobicContact CG-CG1 4.08Å; W43-L53 HydrophobicContact CD2-CD1 3.81Å; W43-L53 HydrophobicContact CE3-CD1 4.21Å; W43-L53 HydrophobicContact CH2-CD1 3.75Å; W43-L53 HydrophobicContact CZ2-CD1 3.34Å; W43-L53 HydrophobicContact CZ3-CD1 4.18Å; W43-E189 HydrophobicContact CH2-CG 4.25Å; W43-E189 WeakPolarHBondContact CZ2-O 3.46Å; W43-C192 HydrophobicContact CZ2-CB 4.47Å
44Q96.5Very high97.5Very high173 Ų17364.1 Ų64.181%0.80828%0.279SS*.THydrogen-bonded Turntrans52.837.2174.8-58.1167.217.200112.1L40 D41 D46L40-Q44 PolarHBondContact O-N 2.84Å; D41-Q44 PolarHBondContact O-N 2.84Å; Q44-D46 PolarHBondContact O-N 2.77Å; Q44-D46 VanDerWaalsContact O-N 3.11Å
45R97.2Very high97.5Very high148 Ų14867.5 Ų67.556%0.55830%0.295SS*.THydrogen-bonded Turntrans59.418.7-179.8-57.6168.3170.462.29.7113.9L40 D41 W43 A47L40-R45 HydrophobicContact CB-CG 4.16Å; L40-R45 HydrophobicContact CD2-CB 4.48Å; L40-R45 HydrophobicContact CD2-CG 4.22Å; L40-R45 PolarHBondContact O-N 2.9Å; D41-R45 IonicContact OD1-CZ 3.72Å; D41-R45 VanDerWaalsContact OD1-CZ 3.29Å; D41-R45 IonicContact OD1-NH1 2.69Å; D41-R45 PolarHBondContact OD1-NH1 2.72Å; D41-R45 IonicContact OD1-NH2 2.88Å; D41-R45 PolarHBondContact OD1-NH2 2.87Å; W43-R45 PolarHBondContact O-N 3.49Å; W43-R45 VanDerWaalsContact O-N 3.12Å; R45-A47 PolarHBondContact O-N 3.27Å
46D98Very high97.4Very high74 Ų7469 Ų6940%0.39631%0.306SS..  trans-70.894.8172.6-178.9-15.7000110.3W43 Q44 R48 K49 I50W43-D46 VanDerWaalsContact O-CB 3.31Å; W43-D46 WeakPolarHBondContact O-CB 3.34Å; W43-D46 PolarHBondContact O-N 2.83Å; Q44-D46 PolarHBondContact O-N 2.77Å; Q44-D46 VanDerWaalsContact O-N 3.11Å; D46-R48 VanDerWaalsContact C-N 3.26Å; D46-R48 PolarHBondContact O-N 2.57Å; D46-R48 PolarHBondContact OD1-N 2.91Å; D46-K49 HydrophobicContact CB-CB 3.97Å; D46-K49 VanDerWaalsContact CG-CB 3.46Å; D46-K49 PolarHBondContact O-N 3.3Å; D46-K49 PolarHBondContact OD1-N 2.77Å; D46-K49 WeakPolarHBondContact OD2-CB 3.45Å; D46-I50 VanDerWaalsContact O-CG1 3.26Å; D46-I50 WeakPolarHBondContact O-CG1 3.41Å; D46-I50 PolarHBondContact O-N 3.26Å
47A97.4Very high97.4Very high28 Ų2869.2 Ų69.223%0.23131%0.307CS..Hα-helixtrans-58.2-35.3-177.600000113.3K21 I22 R45 R51K21-A47 HydrophobicContact CG-CB 4.33Å; I22-A47 HydrophobicContact CD1-CB 3.88Å; R45-A47 PolarHBondContact O-N 3.27Å; A47-R51 VanDerWaalsContact O-CB 3.24Å; A47-R51 WeakPolarHBondContact O-CB 3.3Å; A47-R51 PolarHBondContact O-N 2.8Å
48R97.8Very high97.2Very high221 Ų22166.3 Ų66.383%0.83430%0.298SS*.Hα-helixtrans-68.9-43.8-179.9-68.1-179.1179.9171.90.8110.4D46 K52D46-R48 VanDerWaalsContact C-N 3.26Å; D46-R48 PolarHBondContact O-N 2.57Å; D46-R48 PolarHBondContact OD1-N 2.91Å; R48-K52 PolarHBondContact O-N 3.25Å; R48-K52 VanDerWaalsContact O-N 3.12Å
49K97.1Very high97.1Very high95 Ų9568 Ų6841%0.41331%0.308SS..Hα-helixtrans-68.3-44178.4-168.7171.4-171.6178.50112W43 D46 K52 L53W43-K49 HydrophobicContact CD2-CD 4.29Å; W43-K49 HydrophobicContact CD2-CG 4.44Å; W43-K49 HydrophobicContact CE3-CD 3.63Å; W43-K49 HydrophobicContact CE3-CG 4.23Å; W43-K49 HydrophobicContact CZ3-CD 4.19Å; D46-K49 HydrophobicContact CB-CB 3.97Å; D46-K49 VanDerWaalsContact CG-CB 3.46Å; D46-K49 PolarHBondContact O-N 3.3Å; D46-K49 PolarHBondContact OD1-N 2.77Å; D46-K49 WeakPolarHBondContact OD2-CB 3.45Å; K49-K52 PolarHBondContact O-N 3.44Å; K49-L53 HydrophobicContact CG-CD1 4.04Å; K49-L53 WeakPolarHBondContact O-CG 3.49Å; K49-L53 PolarHBondContact O-N 3.1Å
50I98.5Very high97.1Very high0 Ų067.9 Ų67.90%031%0.308CS..Hα-helixtrans-58.1-52.7175.1-67.7166.7000109.7F18 I22 W39 L40 W43 D46 K52 L53 L54F18-I50 HydrophobicContact CE2-CG2 4.14Å; F18-I50 HydrophobicContact CZ-CG2 4.01Å; I22-I50 HydrophobicContact CD1-CB 3.92Å; I22-I50 HydrophobicContact CD1-CD1 4.5Å; I22-I50 HydrophobicContact CD1-CG2 3.7Å; I22-I50 HydrophobicContact CG1-CG2 4.08Å; I22-I50 HydrophobicContact CG2-CG2 4.24Å; W39-I50 HydrophobicContact CB-CG2 4.34Å; W39-I50 HydrophobicContact CE3-CG2 4.34Å; L40-I50 HydrophobicContact CD2-CD1 4.04Å; W43-I50 HydrophobicContact CB-CD1 4.16Å; W43-I50 HydrophobicContact CB-CG1 3.57Å; W43-I50 HydrophobicContact CG-CG1 4.08Å; D46-I50 VanDerWaalsContact O-CG1 3.26Å; D46-I50 WeakPolarHBondContact O-CG1 3.41Å; D46-I50 PolarHBondContact O-N 3.26Å; I50-K52 VanDerWaalsContact C-N 3.31Å; I50-K52 PolarHBondContact O-N 2.77Å; I50-L53 PolarHBondContact O-N 3.16Å; I50-L54 WeakPolarHBondContact O-CB 3.39Å; I50-L54 PolarHBondContact O-N 2.79Å
51R98.2Very high97Very high144 Ų14466.5 Ų66.554%0.54330%0.3SS..Hα-helixtrans-53.3-47.8178.6-178.2178.9179.3161.8-0.7111.9I22 I24 A47 H55I22-R51 HydrophobicContact CG2-CB 4.05Å; I22-R51 HydrophobicContact CG2-CG 4.48Å; I22-R51 VanDerWaalsContact O-CD 3.23Å; I22-R51 WeakPolarHBondContact O-CD 3.37Å; I22-R51 WeakPolarHBondContact O-CG 3.48Å; I24-R51 HydrophobicContact CD1-CG 4.25Å; A47-R51 VanDerWaalsContact O-CB 3.24Å; A47-R51 WeakPolarHBondContact O-CB 3.3Å; A47-R51 PolarHBondContact O-N 2.8Å; R51-H55 WeakPolarHBondContact O-CB 3.23Å; R51-H55 PolarHBondContact O-N 3.21Å
52K96.7Very high96.9Very high154 Ų15469.6 Ų69.667%0.6731%0.31SS*.Hα-helixtrans-60.6-49.4179.7179.8179.5176.2179.20112.3R48 K49 I50 S56R48-K52 PolarHBondContact O-N 3.25Å; R48-K52 VanDerWaalsContact O-N 3.12Å; K49-K52 PolarHBondContact O-N 3.44Å; I50-K52 VanDerWaalsContact C-N 3.31Å; I50-K52 PolarHBondContact O-N 2.77Å; K52-S56 WeakPolarHBondContact O-CB 3.42Å; K52-S56 PolarHBondContact O-N 2.78Å; K52-S56 VanDerWaalsContact O-N 3.12Å
53L97.7Very high96.9Very high18 Ų1870.4 Ų70.49%0.09432%0.317CS..Hα-helixtrans-73.6-42.5-175.5-70.6174.1000112.1W39 W43 K49 I50 S56 Y57 E189W39-L53 HydrophobicContact CZ3-CB 3.96Å; W43-L53 HydrophobicContact CD2-CD1 3.81Å; W43-L53 HydrophobicContact CE3-CD1 4.21Å; W43-L53 HydrophobicContact CH2-CD1 3.75Å; W43-L53 HydrophobicContact CZ2-CD1 3.34Å; W43-L53 HydrophobicContact CZ3-CD1 4.18Å; K49-L53 HydrophobicContact CG-CD1 4.04Å; K49-L53 WeakPolarHBondContact O-CG 3.49Å; K49-L53 PolarHBondContact O-N 3.1Å; I50-L53 PolarHBondContact O-N 3.16Å; L53-S56 WeakPolarHBondContact O-CB 3.2Å; L53-S56 PolarHBondContact O-N 2.9Å; L53-Y57 WeakPolarHBondContact O-CB 3.41Å; L53-Y57 PolarHBondContact O-N 2.83Å; L53-E189 HydrophobicContact CD2-CB 4.27Å; L53-E189 HydrophobicContact CD2-CG 4.32Å
54L97.8Very high96.9Very high1 Ų169.8 Ų69.81%0.00532%0.317CS..Hα-helixtrans-63.7-43.7177.4-179.660.4000111F18 I22 I24 L26 W39 I50 S56 Y57 M58F18-L54 HydrophobicContact CE1-CD2 4.16Å; F18-L54 HydrophobicContact CZ-CD2 4.17Å; I22-L54 HydrophobicContact CG2-CD2 4.16Å; I24-L54 HydrophobicContact CB-CD2 4.21Å; I24-L54 HydrophobicContact CD1-CB 4.02Å; I24-L54 HydrophobicContact CD1-CD2 4.02Å; I24-L54 HydrophobicContact CD1-CG 3.94Å; I24-L54 HydrophobicContact CG2-CD2 4.09Å; I24-L54 HydrophobicContact CG2-CG 4.3Å; L26-L54 HydrophobicContact CD2-CD1 4Å; L26-L54 HydrophobicContact CD2-CD2 3.89Å; L26-L54 HydrophobicContact CD2-CG 4.45Å; W39-L54 HydrophobicContact CD2-CD1 4.41Å; W39-L54 HydrophobicContact CE3-CB 4.49Å; W39-L54 HydrophobicContact CH2-CB 4.33Å; W39-L54 HydrophobicContact CH2-CD1 4.31Å; W39-L54 HydrophobicContact CZ2-CB 4.5Å; W39-L54 HydrophobicContact CZ2-CD1 3.69Å; W39-L54 HydrophobicContact CZ3-CB 4.32Å; I50-L54 WeakPolarHBondContact O-CB 3.39Å; I50-L54 PolarHBondContact O-N 2.79Å; L54-S56 VanDerWaalsContact C-N 3.35Å; L54-S56 PolarHBondContact O-N 2.93Å; L54-Y57 HydrophobicContact CD1-CD1 4.05Å; L54-Y57 PolarHBondContact O-N 2.94Å; L54-M58 HydrophobicContact CD1-CG 4.24Å; L54-M58 HydrophobicContact CG-CG 4.5Å; L54-M58 WeakPolarHBondContact O-CB 3.42Å; L54-M58 VanDerWaalsContact O-CG 3.27Å; L54-M58 WeakPolarHBondContact O-CG 3.15Å; L54-M58 PolarHBondContact O-N 3.39Å
55H95.9Very high96.8Very high104 Ų10465.3 Ų65.348%0.48131%0.31SS..Hα-helixtrans-59.4-45.9173.6179.7-99.3000111.8I24 R51 Y57 M58 L59I24-H55 HydrophobicContact CD1-CB 3.89Å; R51-H55 WeakPolarHBondContact O-CB 3.23Å; R51-H55 PolarHBondContact O-N 3.21Å; H55-Y57 PolarHBondContact O-N 2.69Å; H55-M58 PolarHBondContact O-N 3.42Å; H55-L59 WeakPolarHBondContact CE1-CD1 3.21Å; H55-L59 WeakPolarHBondContact O-CG 3.3Å; H55-L59 PolarHBondContact O-N 2.86Å; H55-L59 VanDerWaalsContact O-N 3.11Å
56S96.1Very high96.7Very high37 Ų3758.3 Ų58.326%0.25928%0.283SS..Hα-helixtrans-61.1-43.5176-179.90000112.3K52 L53 L54 N60 Y190K52-S56 WeakPolarHBondContact O-CB 3.42Å; K52-S56 PolarHBondContact O-N 2.78Å; K52-S56 VanDerWaalsContact O-N 3.12Å; L53-S56 WeakPolarHBondContact O-CB 3.2Å; L53-S56 PolarHBondContact O-N 2.9Å; L54-S56 VanDerWaalsContact C-N 3.35Å; L54-S56 PolarHBondContact O-N 2.93Å; S56-N60 WeakPolarHBondContact O-CB 3.32Å; S56-N60 VanDerWaalsContact O-CG 3.28Å; S56-N60 PolarHBondContact O-N 2.89Å; S56-N60 VanDerWaalsContact O-N 3.09Å; S56-N60 PolarHBondContact O-ND2 3.01Å; S56-N60 VanDerWaalsContact O-ND2 3.13Å; S56-N60 PolarHBondContact OG-ND2 3.07Å; S56-Y190 PolarHBondContact OG-OH 3.23Å
57Y97.7Very high96.6Very high4 Ų458.4 Ų58.42%0.01628%0.281CS..Hα-helixtrans-60.5-50.1177.3165-106.2000110.9M30 W39 L53 L54 H55 L59 N60 R61 F132 E136 Y190 Y191M30-Y57 HydrophobicContact CE-CE1 4.13Å; M30-Y57 HydrophobicContact SD-CE1 3.92Å; M30-Y57 PolarHBondContact SD-OH 3.02Å; W39-Y57 HydrophobicContact CZ2-CD1 4.16Å; W39-Y57 HydrophobicContact CZ2-CG 4.39Å; L53-Y57 WeakPolarHBondContact O-CB 3.41Å; L53-Y57 PolarHBondContact O-N 2.83Å; L54-Y57 HydrophobicContact CD1-CD1 4.05Å; L54-Y57 PolarHBondContact O-N 2.94Å; H55-Y57 PolarHBondContact O-N 2.69Å; Y57-L59 PolarHBondContact O-N 3.2Å; Y57-N60 PolarHBondContact O-N 3.5Å; Y57-R61 HydrophobicContact CE2-CB 4.42Å; Y57-R61 WeakPolarHBondContact O-CB 3.37Å; Y57-R61 PolarHBondContact O-N 3.2Å; Y57-F132 HydrophobicContact CD2-CE2 4.24Å; Y57-F132 HydrophobicContact CD2-CZ 4.49Å; Y57-F132 HydrophobicContact CE2-CE2 4.14Å; Y57-E136 VanDerWaalsContact CE2-OE1 3.26Å; Y57-E136 WeakPolarHBondContact CE2-OE1 3.42Å; Y57-E136 PolarHBondContact OH-OE1 3.1Å; Y57-E136 PolarHBondContact OH-OE2 3.13Å; Y57-Y190 HydrophobicContact CD2-CD1 4.33Å; Y57-Y190 AromaticContact CD2-CD2 3.85Å; Y57-Y190 HydrophobicContact CD2-CD2 3.85Å; Y57-Y190 AromaticContact CD2-CG 3.74Å; Y57-Y190 HydrophobicContact CD2-CG 3.74Å; Y57-Y190 HydrophobicContact CG-CD1 4.45Å; Y57-Y190 HydrophobicContact CG-CG 4.29Å; Y57-Y191 HydrophobicContact CE2-CE1 4.28Å
58M95.8Very high96.3Very high32 Ų3259.4 Ų59.416%0.15828%0.283CS..Hα-helixtrans-57.9-47.8-179.6-73.9-53.4-59.800112.5P27 M30 L54 H55 N60 K62P27-M58 HydrophobicContact CG-CE 3.31Å; P27-M58 HydrophobicContact CG-SD 4.27Å; M30-M58 HydrophobicContact CE-CE 4.18Å; M30-M58 HydrophobicContact CE-SD 3.63Å; L54-M58 HydrophobicContact CD1-CG 4.24Å; L54-M58 HydrophobicContact CG-CG 4.5Å; L54-M58 WeakPolarHBondContact O-CB 3.42Å; L54-M58 VanDerWaalsContact O-CG 3.27Å; L54-M58 WeakPolarHBondContact O-CG 3.15Å; L54-M58 PolarHBondContact O-N 3.39Å; H55-M58 PolarHBondContact O-N 3.42Å; M58-N60 PolarHBondContact O-N 2.97Å; M58-K62 WeakPolarHBondContact O-CB 3.36Å; M58-K62 PolarHBondContact O-N 3.35Å; M58-K62 VanDerWaalsContact O-N 3.12Å
59L94.9Very high96.1Very high54 Ų5453.7 Ų53.728%0.28328%0.275SS..Hα-helixtrans-61.6-43.7177.1-71.2-179.7000112.2H55 Y57 A63 L336H55-L59 WeakPolarHBondContact CE1-CD1 3.21Å; H55-L59 WeakPolarHBondContact O-CG 3.3Å; H55-L59 PolarHBondContact O-N 2.86Å; H55-L59 VanDerWaalsContact O-N 3.11Å; Y57-L59 PolarHBondContact O-N 3.2Å; L59-A63 WeakPolarHBondContact O-CB 3.43Å; L59-A63 PolarHBondContact O-N 3.31Å; L59-L336 HydrophobicContact CB-CD1 3.89Å
60N97.5Very high96Very high4 Ų452.9 Ų52.92%0.02127%0.274CS..Hα-helixtrans-73.1-37.9-177.8-75-31.4000112.6S56 Y57 M58 K62 A63 A64 F132 Y190 L336 P339 R340S56-N60 WeakPolarHBondContact O-CB 3.32Å; S56-N60 VanDerWaalsContact O-CG 3.28Å; S56-N60 PolarHBondContact O-N 2.89Å; S56-N60 VanDerWaalsContact O-N 3.09Å; S56-N60 PolarHBondContact O-ND2 3.01Å; S56-N60 VanDerWaalsContact O-ND2 3.13Å; S56-N60 PolarHBondContact OG-ND2 3.07Å; Y57-N60 PolarHBondContact O-N 3.5Å; M58-N60 PolarHBondContact O-N 2.97Å; N60-K62 VanDerWaalsContact C-N 3.35Å; N60-A63 PolarHBondContact O-N 3.48Å; N60-A64 WeakPolarHBondContact O-CB 3.36Å; N60-A64 PolarHBondContact O-N 2.97Å; N60-F132 HydrophobicContact CB-CE1 4Å; N60-F132 HydrophobicContact CB-CZ 4.16Å; N60-Y190 PolarHBondContact ND2-OH 2.94Å; N60-L336 WeakPolarHBondContact OD1-CD1 3.09Å; N60-P339 HydrophobicContact CB-CB 4.38Å; N60-R340 PolarHBondContact ND2-O 2.88Å; N60-R340 WeakPolarHBondContact OD1-CA 3.44Å; N60-R340 PolarHBondContact OD1-N 3.13Å; N60-R340 PolarHBondContact OD1-O 2.94Å
61R96.7Very high95.9Very high2 Ų253.1 Ų53.11%0.00828%0.276CS..Hα-helixtrans-60.3-45.9175.9-175.4-170.1-176.6-119.610.2110.8D29 Y57 A64 A65 L66 E67 F132 E136D29-R61 IonicContact OD2-CZ 3.08Å; D29-R61 IonicContact OD2-NH1 3.29Å; D29-R61 IonicContact OD2-NH2 3.61Å; D29-R61 PolarHBondContact OD2-NH2 2.92Å; Y57-R61 HydrophobicContact CE2-CB 4.42Å; Y57-R61 WeakPolarHBondContact O-CB 3.37Å; Y57-R61 PolarHBondContact O-N 3.2Å; R61-A64 PolarHBondContact O-N 3.25Å; R61-A65 PolarHBondContact O-N 3.2Å; R61-L66 HydrophobicContact CG-CB 3.92Å; R61-L66 PolarHBondContact O-N 3.41Å; R61-E67 HydrophobicContact CG-CG 4.37Å; R61-E67 IonicContact NH1-OE1 2.86Å; R61-F132 HydrophobicContact CB-CZ 4.19Å; R61-E136 IonicContact CZ-OE2 2.94Å; R61-E136 IonicContact NE-OE2 3.57Å; R61-E136 PolarHBondContact NE-OE2 2.81Å; R61-E136 IonicContact NH2-OE2 3.97Å
62K95.1Very high95.9Very high139 Ų13947.4 Ų47.460%0.60426%0.256SS*.Hα-helixtrans-62.4-50.1174.8-176.5172.6-175.5177.30111.9M58 N60 A64 A65M58-K62 WeakPolarHBondContact O-CB 3.36Å; M58-K62 PolarHBondContact O-N 3.35Å; M58-K62 VanDerWaalsContact O-N 3.12Å; N60-K62 VanDerWaalsContact C-N 3.35Å; K62-A64 PolarHBondContact O-N 3.04Å; K62-A65 PolarHBondContact O-N 3.46Å
63A95.6Very high95.9Very high21 Ų2146.2 Ų46.217%0.17425%0.253CS..Hα-helixtrans-62.9-25.4178.100000113.4L59 N60 A65 L336 P339L59-A63 WeakPolarHBondContact O-CB 3.43Å; L59-A63 PolarHBondContact O-N 3.31Å; N60-A63 PolarHBondContact O-N 3.48Å; A63-A65 VanDerWaalsContact C-N 3.29Å; A63-L336 HydrophobicContact CB-CB 3.64Å; A63-L336 WeakPolarHBondContact CB-O 3.34Å; A63-P339 HydrophobicContact CB-CB 4.42Å; A63-P339 HydrophobicContact CB-CG 3.92Å
64A96.5Very high95.8Very high13 Ų1349.8 Ų49.811%0.10727%0.269CS..THydrogen-bonded Turntrans-85.5-0.5175.700000113.2N60 R61 K62 L66 M129 F132 P339N60-A64 WeakPolarHBondContact O-CB 3.36Å; N60-A64 PolarHBondContact O-N 2.97Å; R61-A64 PolarHBondContact O-N 3.25Å; K62-A64 PolarHBondContact O-N 3.04Å; A64-L66 HydrophobicContact CB-CD1 3.64Å; A64-L66 HydrophobicContact CB-CD2 4.47Å; A64-L66 HydrophobicContact CB-CG 3.61Å; A64-L66 PolarHBondContact O-N 3.07Å; A64-M129 HydrophobicContact CB-CE 3.76Å; A64-F132 HydrophobicContact CB-CD1 4.06Å; A64-F132 HydrophobicContact CB-CE1 3.84Å; A64-P339 HydrophobicContact CB-CG 3.73Å
65A94.7Very high95.8Very high78 Ų7849.9 Ų49.965%0.64527%0.269SS*.THydrogen-bonded Turntrans55.434.5-174.500000113.7R61 K62 A63 E67R61-A65 PolarHBondContact O-N 3.2Å; K62-A65 PolarHBondContact O-N 3.46Å; A63-A65 VanDerWaalsContact C-N 3.29Å; A65-E67 VanDerWaalsContact C-N 3.32Å
66L96.1Very high95.8Very high1 Ų148.8 Ų48.81%0.00526%0.264CS..THydrogen-bonded Turntrans-91.55.2-177.2-54.4173.8000113.8R61 A64 D68 F132 V133 E136 K140R61-L66 HydrophobicContact CG-CB 3.92Å; R61-L66 PolarHBondContact O-N 3.41Å; A64-L66 HydrophobicContact CB-CD1 3.64Å; A64-L66 HydrophobicContact CB-CD2 4.47Å; A64-L66 HydrophobicContact CB-CG 3.61Å; A64-L66 PolarHBondContact O-N 3.07Å; L66-D68 PolarHBondContact O-N 2.86Å; L66-F132 HydrophobicContact CD1-CB 4.44Å; L66-F132 HydrophobicContact CD1-CD1 3.73Å; L66-F132 HydrophobicContact CD1-CD2 3.83Å; L66-F132 HydrophobicContact CD1-CE1 3.86Å; L66-F132 HydrophobicContact CD1-CE2 3.95Å; L66-F132 HydrophobicContact CD1-CG 3.72Å; L66-F132 HydrophobicContact CD1-CZ 3.97Å; L66-V133 HydrophobicContact CD2-CB 4.19Å; L66-V133 HydrophobicContact CD2-CG1 4.32Å; L66-V133 HydrophobicContact CD2-CG2 3.66Å; L66-E136 HydrophobicContact CB-CB 4.3Å; L66-E136 HydrophobicContact CB-CG 3.72Å; L66-E136 HydrophobicContact CD1-CB 4.34Å; L66-E136 HydrophobicContact CD1-CG 3.52Å; L66-E136 HydrophobicContact CG-CG 4.12Å; L66-K140 WeakPolarHBondContact O-CE 3.34Å
67E94.1Very high95.8Very high77 Ų7752.4 Ų52.436%0.3628%0.277SS..THydrogen-bonded Turntrans-76.7-4.2173.2-45.9-165.3115.200112.1R61 A65 P69R61-E67 HydrophobicContact CG-CG 4.37Å; R61-E67 IonicContact NH1-OE1 2.86Å; A65-E67 VanDerWaalsContact C-N 3.32Å; E67-P69 WeakPolarHBondContact O-CD 3.32Å
68D92.9Very high95.8Very high48 Ų4853.9 Ų53.926%0.25729%0.285SS..  trans-52.8119.7177.7-178.27.1000111.3L66 N70 L71 K140L66-D68 PolarHBondContact O-N 2.86Å; D68-N70 PolarHBondContact O-N 3.28Å; D68-N70 WeakPolarHBondContact OD1-CB 3.25Å; D68-N70 PolarHBondContact OD1-N 2.86Å; D68-N70 PolarHBondContact OD1-ND2 2.85Å; D68-N70 VanDerWaalsContact OD1-ND2 3.14Å; D68-L71 PolarHBondContact O-N 3.23Å; D68-K140 VanDerWaalsContact O-CE 3.28Å; D68-K140 WeakPolarHBondContact O-CE 3.17Å; D68-K140 PolarHBondContact O-NZ 3.46Å; D68-K140 VanDerWaalsContact O-NZ 3.09Å
69P92.3Very high95.8Very high102 Ų10257 Ų5766%0.66230%0.301SS*.THydrogen-bonded Turntrans-65.8-21.6176.926.8-34.4000112.8E67E67-P69 WeakPolarHBondContact O-CD 3.32Å
70N95.9Very high95.9Very high77 Ų7757 Ų5741%0.41230%0.298SS..THydrogen-bonded Turntrans-95.913.1-177-47.6-74.7000113.3D68 I72 E73 Q74D68-N70 PolarHBondContact O-N 3.28Å; D68-N70 WeakPolarHBondContact OD1-CB 3.25Å; D68-N70 PolarHBondContact OD1-N 2.86Å; D68-N70 PolarHBondContact OD1-ND2 2.85Å; D68-N70 VanDerWaalsContact OD1-ND2 3.14Å; N70-I72 PolarHBondContact O-N 3.02Å; N70-I72 VanDerWaalsContact O-N 3.15Å; N70-E73 WeakPolarHBondContact CA-OE2 3.15Å; N70-E73 PolarHBondContact O-N 3.2Å; N70-E73 VanDerWaalsContact O-N 3.13Å; N70-Q74 HydrophobicContact CB-CG 4.08Å; N70-Q74 WeakPolarHBondContact O-CB 3.4Å; N70-Q74 WeakPolarHBondContact O-CG 3.34Å; N70-Q74 PolarHBondContact O-N 2.96Å
71L96.6Very high95.9Very high5 Ų556.9 Ų56.93%0.02630%0.297CS..THydrogen-bonded Turntrans-59.1-28.8-175.8179.264.9000112.7D68 Y75 V133 E136 K140D68-L71 PolarHBondContact O-N 3.23Å; L71-Y75 VanDerWaalsContact O-CA 3.22Å; L71-Y75 WeakPolarHBondContact O-CA 3.47Å; L71-Y75 VanDerWaalsContact O-CB 3.27Å; L71-Y75 WeakPolarHBondContact O-CB 3.11Å; L71-Y75 PolarHBondContact O-N 2.92Å; L71-V133 HydrophobicContact CD1-CG1 4.04Å; L71-E136 HydrophobicContact CD2-CB 3.57Å; L71-K140 HydrophobicContact CB-CD 3.93Å; L71-K140 HydrophobicContact CD2-CD 4.07Å
72I97.5Very high95.9Very high24 Ų2462 Ų6212%0.12332%0.321CS..THydrogen-bonded Turntrans-66.4-47.5177.5-63.4177.2000110.1N70 P94 Y137 K140 Q141 L144N70-I72 PolarHBondContact O-N 3.02Å; N70-I72 VanDerWaalsContact O-N 3.15Å; I72-P94 HydrophobicContact CG2-CB 3.67Å; I72-P94 HydrophobicContact CG2-CG 4.35Å; I72-Y137 HydrophobicContact CG2-CE2 4.21Å; I72-K140 HydrophobicContact CD1-CB 3.99Å; I72-K140 HydrophobicContact CG1-CB 4.04Å; I72-Q141 HydrophobicContact CD1-CG 3.78Å; I72-Q141 HydrophobicContact CG1-CG 4.04Å; I72-Q141 HydrophobicContact CG2-CG 4.32Å; I72-L144 HydrophobicContact CD1-CD2 4.26Å
73E96.9Very high95.9Very high130 Ų13059.3 Ų59.361%0.60731%0.31SS*.THydrogen-bonded Turntrans-73.6-34.5-178.8-63.373.1-161.700111.8N70N70-E73 WeakPolarHBondContact CA-OE2 3.15Å; N70-E73 PolarHBondContact O-N 3.2Å; N70-E73 VanDerWaalsContact O-N 3.13Å
74Q96.1Very high96Very high92 Ų9258.3 Ų58.343%0.4330%0.301SS..THydrogen-bonded Turntrans-101.510.7-174.8-59.2-172.911.500113.9N70 Q76 Q77 N78N70-Q74 HydrophobicContact CB-CG 4.08Å; N70-Q74 WeakPolarHBondContact O-CB 3.4Å; N70-Q74 WeakPolarHBondContact O-CG 3.34Å; N70-Q74 PolarHBondContact O-N 2.96Å; Q74-Q76 VanDerWaalsContact C-N 3.3Å; Q74-Q76 PolarHBondContact O-N 2.78Å; Q74-Q77 WeakPolarHBondContact O-CB 3.5Å; Q74-Q77 PolarHBondContact O-N 2.84Å; Q74-Q77 PolarHBondContact O-OE1 3.03Å; Q74-N78 PolarHBondContact O-N 3.34Å
75Y97.5Very high95.9Very high3 Ų358.3 Ų58.31%0.01230%0.299CS..G310 helixtrans-52.1-47.7-174.6172.5-113.2000112.5L71 Q77 N78 V81 M90 F130 V133 T134 Y137L71-Y75 VanDerWaalsContact O-CA 3.22Å; L71-Y75 WeakPolarHBondContact O-CA 3.47Å; L71-Y75 VanDerWaalsContact O-CB 3.27Å; L71-Y75 WeakPolarHBondContact O-CB 3.11Å; L71-Y75 PolarHBondContact O-N 2.92Å; Y75-Q77 PolarHBondContact O-N 3.31Å; Y75-N78 WeakPolarHBondContact O-CB 3.41Å; Y75-N78 PolarHBondContact O-N 2.76Å; Y75-V81 HydrophobicContact CD1-CG1 4.3Å; Y75-V81 HydrophobicContact CD2-CG2 3.94Å; Y75-V81 HydrophobicContact CE1-CG1 3.84Å; Y75-V81 HydrophobicContact CE2-CG1 4.25Å; Y75-V81 HydrophobicContact CE2-CG2 3.45Å; Y75-V81 VanDerWaalsContact CE2-CG2 3.45Å; Y75-V81 WeakPolarHBondContact O-CB 3.43Å; Y75-V81 WeakPolarHBondContact O-CG1 3.48Å; Y75-V81 WeakPolarHBondContact O-CG2 3.21Å; Y75-M90 HydrophobicContact CE1-CE 4.24Å; Y75-M90 VanDerWaalsContact OH-CE 3.27Å; Y75-M90 WeakPolarHBondContact OH-CE 3.34Å; Y75-F130 WeakPolarHBondContact OH-CE2 3.44Å; Y75-V133 HydrophobicContact CD2-CG1 4.21Å; Y75-V133 HydrophobicContact CE2-CG1 4.13Å; Y75-T134 HydrophobicContact CE2-CG2 4.49Å; Y75-T134 PolarHBondContact OH-OG1 3.39Å; Y75-Y137 HydrophobicContact CD1-CD1 4.4Å; Y75-Y137 HydrophobicContact CD1-CD2 4.37Å; Y75-Y137 HydrophobicContact CD1-CE1 4.28Å; Y75-Y137 HydrophobicContact CD1-CE2 4.26Å; Y75-Y137 HydrophobicContact CD1-CG 4.43Å; Y75-Y137 HydrophobicContact CD2-CD1 4.07Å; Y75-Y137 AromaticContact CD2-CD2 3.78Å; Y75-Y137 HydrophobicContact CD2-CD2 3.78Å; Y75-Y137 HydrophobicContact CD2-CE2 4.46Å; Y75-Y137 AromaticContact CD2-CG 3.54Å; Y75-Y137 HydrophobicContact CD2-CG 3.54Å; Y75-Y137 HydrophobicContact CE1-CD1 4.45Å; Y75-Y137 HydrophobicContact CE1-CE1 4.43Å; Y75-Y137 HydrophobicContact CE2-CD1 4.1Å; Y75-Y137 AromaticContact CE2-CG 3.96Å; Y75-Y137 HydrophobicContact CE2-CG 3.96Å; Y75-Y137 HydrophobicContact CG-CD1 4.22Å; Y75-Y137 AromaticContact CG-CD2 3.65Å; Y75-Y137 HydrophobicContact CG-CD2 3.65Å; Y75-Y137 HydrophobicContact CG-CE1 4.43Å; Y75-Y137 AromaticContact CG-CE2 3.9Å; Y75-Y137 HydrophobicContact CG-CE2 3.9Å; Y75-Y137 AromaticContact CG-CG 3.81Å; Y75-Y137 HydrophobicContact CG-CG 3.81Å
76Q95.9Very high96Very high82 Ų8256.1 Ų56.138%0.38328%0.279SS..G310 helixtrans-75-12.3-176.9-61.6-171.336.700113.4Q74 Q82 L85 T92Q74-Q76 VanDerWaalsContact C-N 3.3Å; Q74-Q76 PolarHBondContact O-N 2.78Å; Q76-Q82 WeakPolarHBondContact O-CG 3.08Å; Q76-L85 HydrophobicContact CG-CD2 4.09Å; Q76-T92 PolarHBondContact NE2-OG1 3.28Å
77Q96.3Very high95.9Very high113 Ų11357.2 Ų57.253%0.52828%0.283SS..G310 helixtrans-88.3-15.7176.1-65.778.4-3.300111.7Q74 Y75 I79Q74-Q77 WeakPolarHBondContact O-CB 3.5Å; Q74-Q77 PolarHBondContact O-N 2.84Å; Q74-Q77 PolarHBondContact O-OE1 3.03Å; Y75-Q77 PolarHBondContact O-N 3.31Å; Q77-I79 PolarHBondContact O-N 3.04Å
78N97.1Very high96Very high34 Ų3454.6 Ų54.618%0.18227%0.271CS..SBendtrans-60131.6175.6-176.5-77.1000110.9Q74 Y75 Y80 V81 Q82 V133Q74-N78 PolarHBondContact O-N 3.34Å; Y75-N78 WeakPolarHBondContact O-CB 3.41Å; Y75-N78 PolarHBondContact O-N 2.76Å; N78-Y80 VanDerWaalsContact C-N 3.26Å; N78-Y80 PolarHBondContact O-N 2.83Å; N78-Y80 VanDerWaalsContact O-N 3.16Å; N78-Y80 PolarHBondContact OD1-N 2.88Å; N78-V81 HydrophobicContact CB-CB 4.14Å; N78-V81 HydrophobicContact CB-CG2 3.87Å; N78-V81 WeakPolarHBondContact O-CA 3.35Å; N78-V81 WeakPolarHBondContact O-CB 3.33Å; N78-V81 PolarHBondContact O-N 2.55Å; N78-Q82 WeakPolarHBondContact O-CG 3.25Å; N78-Q82 PolarHBondContact O-N 2.78Å; N78-V133 HydrophobicContact CB-CG1 4.09Å
79I95.5Very high96.2Very high97 Ų9755.2 Ų55.250%0.49727%0.27SS..Hα-helixtrans-57.5-34.9-173.4-166.1169.9000113.6Q77 K83Q77-I79 PolarHBondContact O-N 3.04Å; I79-K83 VanDerWaalsContact O-CG 3.27Å; I79-K83 WeakPolarHBondContact O-CG 3.41Å; I79-K83 PolarHBondContact O-N 3.04Å
80Y96.7Very high96.5Very high56 Ų5650.6 Ų50.622%0.2224%0.24CC..Hα-helixtrans-77.1-33.7179.2-58.1-72.3000111.5N78 K83 V84 D126 M129 V133N78-Y80 VanDerWaalsContact C-N 3.26Å; N78-Y80 PolarHBondContact O-N 2.83Å; N78-Y80 VanDerWaalsContact O-N 3.16Å; N78-Y80 PolarHBondContact OD1-N 2.88Å; Y80-K83 PolarHBondContact O-N 3.43Å; Y80-V84 WeakPolarHBondContact O-CG2 3.46Å; Y80-V84 PolarHBondContact O-N 3.45Å; Y80-D126 WeakPolarHBondContact CD1-OD1 3.25Å; Y80-M129 HydrophobicContact CD1-CB 3.5Å; Y80-M129 HydrophobicContact CD1-CG 4.14Å; Y80-M129 HydrophobicContact CD2-CB 3.75Å; Y80-M129 HydrophobicContact CD2-CE 3.99Å; Y80-M129 HydrophobicContact CD2-CG 4.41Å; Y80-M129 HydrophobicContact CE1-CB 3.76Å; Y80-M129 HydrophobicContact CE1-CG 3.84Å; Y80-M129 HydrophobicContact CE2-CB 4Å; Y80-M129 HydrophobicContact CE2-CE 3.51Å; Y80-M129 HydrophobicContact CE2-CG 4.15Å; Y80-M129 HydrophobicContact CG-CB 3.49Å; Y80-M129 VanDerWaalsContact CG-CB 3.49Å; Y80-M129 HydrophobicContact CG-CG 4.4Å; Y80-V133 HydrophobicContact CD2-CG2 4.32Å
81V98.1Very high96.6Very high0 Ų047.1 Ų47.10%022%0.221CC..Hα-helixtrans-65-46.5172-179.40000110.1Y75 N78 K83 V84 L85 F130 V133Y75-V81 HydrophobicContact CD1-CG1 4.3Å; Y75-V81 HydrophobicContact CD2-CG2 3.94Å; Y75-V81 HydrophobicContact CE1-CG1 3.84Å; Y75-V81 HydrophobicContact CE2-CG1 4.25Å; Y75-V81 HydrophobicContact CE2-CG2 3.45Å; Y75-V81 VanDerWaalsContact CE2-CG2 3.45Å; Y75-V81 WeakPolarHBondContact O-CB 3.43Å; Y75-V81 WeakPolarHBondContact O-CG1 3.48Å; Y75-V81 WeakPolarHBondContact O-CG2 3.21Å; N78-V81 HydrophobicContact CB-CB 4.14Å; N78-V81 HydrophobicContact CB-CG2 3.87Å; N78-V81 WeakPolarHBondContact O-CA 3.35Å; N78-V81 WeakPolarHBondContact O-CB 3.33Å; N78-V81 PolarHBondContact O-N 2.55Å; V81-K83 PolarHBondContact O-N 2.74Å; V81-V84 PolarHBondContact O-N 3.22Å; V81-V84 VanDerWaalsContact O-N 3.16Å; V81-L85 HydrophobicContact CG1-CB 3.9Å; V81-L85 HydrophobicContact CG1-CD2 3.76Å; V81-L85 HydrophobicContact CG1-CG 4.37Å; V81-L85 WeakPolarHBondContact O-CB 3.41Å; V81-L85 PolarHBondContact O-N 3.36Å; V81-F130 HydrophobicContact CG2-CD2 4.14Å; V81-F130 HydrophobicContact CG2-CE2 4.43Å; V81-V133 HydrophobicContact CG2-CB 4.33Å; V81-V133 HydrophobicContact CG2-CG1 3.73Å
82Q96.3Very high96.6Very high110 Ų11047.2 Ų47.251%0.51422%0.222SC..Hα-helixtrans-60.2-32.1176.4-70.1-175-19.900113.7Q76 N78 P86Q76-Q82 WeakPolarHBondContact O-CG 3.08Å; N78-Q82 WeakPolarHBondContact O-CG 3.25Å; N78-Q82 PolarHBondContact O-N 2.78Å; Q82-P86 WeakPolarHBondContact O-CD 3.31Å; Q82-P86 VanDerWaalsContact O-CG 3.29Å; Q82-P86 WeakPolarHBondContact O-CG 3.44Å
83K95.3Very high96.6Very high82 Ų8250.6 Ų50.636%0.35723%0.233SC..Hα-helixtrans-72.4-37.4176.5-76.3171.1174.8-179.80113I79 Y80 V81 Y87 I122 D126I79-K83 VanDerWaalsContact O-CG 3.27Å; I79-K83 WeakPolarHBondContact O-CG 3.41Å; I79-K83 PolarHBondContact O-N 3.04Å; Y80-K83 PolarHBondContact O-N 3.43Å; V81-K83 PolarHBondContact O-N 2.74Å; K83-Y87 VanDerWaalsContact O-CD2 3.31Å; K83-Y87 WeakPolarHBondContact O-CD2 3.42Å; K83-Y87 VanDerWaalsContact O-CE2 3.28Å; K83-Y87 WeakPolarHBondContact O-CE2 3.24Å; K83-I122 VanDerWaalsContact O-CD1 3.23Å; K83-I122 WeakPolarHBondContact O-CD1 3.5Å; K83-D126 HydrophobicContact CD-CB 4.3Å; K83-D126 WeakPolarHBondContact CD-OD1 3.2Å; K83-D126 IonicContact NZ-OD1 2.92Å; K83-D126 PolarHBondContact NZ-OD1 2.94Å; K83-D126 IonicContact NZ-OD2 3.36Å
84V96.8Very high96.6Very high0 Ų047 Ų470%022%0.222CC..Hα-helixtrans-102.1-45.7-168.9177.80000112.8Y80 V81 P86 Y87 I88 F118 I122 L127 F130Y80-V84 WeakPolarHBondContact O-CG2 3.46Å; Y80-V84 PolarHBondContact O-N 3.45Å; V81-V84 PolarHBondContact O-N 3.22Å; V81-V84 VanDerWaalsContact O-N 3.16Å; V84-P86 VanDerWaalsContact C-N 3.31Å; V84-P86 VanDerWaalsContact O-N 3.17Å; V84-Y87 PolarHBondContact O-N 3Å; V84-I88 HydrophobicContact CG1-CD1 4.27Å; V84-I88 HydrophobicContact CG1-CG1 4.39Å; V84-I88 HydrophobicContact CG1-CG2 4.05Å; V84-F118 HydrophobicContact CG1-CZ 4.13Å; V84-I122 HydrophobicContact CG2-CD1 4.47Å; V84-I122 HydrophobicContact CG2-CG2 3.76Å; V84-L127 HydrophobicContact CG1-CD1 3.91Å; V84-L127 HydrophobicContact CG2-CD1 4.48Å; V84-F130 HydrophobicContact CB-CB 3.99Å; V84-F130 HydrophobicContact CB-CD1 4.25Å; V84-F130 HydrophobicContact CB-CD2 3.8Å; V84-F130 HydrophobicContact CB-CE2 4.38Å; V84-F130 HydrophobicContact CB-CG 3.72Å; V84-F130 HydrophobicContact CG1-CB 4.3Å; V84-F130 HydrophobicContact CG1-CD1 3.69Å; V84-F130 HydrophobicContact CG1-CD2 4.04Å; V84-F130 HydrophobicContact CG1-CE1 4.02Å; V84-F130 HydrophobicContact CG1-CE2 4.32Å; V84-F130 HydrophobicContact CG1-CG 3.71Å; V84-F130 HydrophobicContact CG1-CZ 4.33Å; V84-F130 HydrophobicContact CG2-CB 3.71Å; V84-F130 HydrophobicContact CG2-CD2 4.45Å; V84-F130 HydrophobicContact CG2-CG 4.01Å
85L96.4Very high96.7Very high13 Ų1344.5 Ų44.57%0.06821%0.21CC..G310 helixtrans-52.2-38.1-173.4-170.566000114.1Q76 V81 Y87 I88 M90 T92 T269Q76-L85 HydrophobicContact CG-CD2 4.09Å; V81-L85 HydrophobicContact CG1-CB 3.9Å; V81-L85 HydrophobicContact CG1-CD2 3.76Å; V81-L85 HydrophobicContact CG1-CG 4.37Å; V81-L85 WeakPolarHBondContact O-CB 3.41Å; V81-L85 PolarHBondContact O-N 3.36Å; L85-Y87 PolarHBondContact O-N 2.8Å; L85-Y87 VanDerWaalsContact O-N 3.13Å; L85-I88 HydrophobicContact CD1-CD1 4.16Å; L85-I88 HydrophobicContact CD1-CG1 4.27Å; L85-I88 PolarHBondContact O-N 3.35Å; L85-M90 HydrophobicContact CD1-CE 4.05Å; L85-T92 HydrophobicContact CD1-CG2 3.85Å; L85-T92 HydrophobicContact CD2-CG2 3.93Å; L85-T92 HydrophobicContact CG-CG2 4.43Å; L85-T269 HydrophobicContact CD1-CG2 3.97Å; L85-T269 HydrophobicContact CD2-CG2 4.47Å; L85-T269 HydrophobicContact CG-CG2 4.07Å
86P94.8Very high96.7Very high33 Ų3344.9 Ų44.921%0.21421%0.213CC..G310 helixtrans-63.6-17.1177.6-23.635.4000115Q82 V84 K272Q82-P86 WeakPolarHBondContact O-CD 3.31Å; Q82-P86 VanDerWaalsContact O-CG 3.29Å; Q82-P86 WeakPolarHBondContact O-CG 3.44Å; V84-P86 VanDerWaalsContact C-N 3.31Å; V84-P86 VanDerWaalsContact O-N 3.17Å; P86-K272 HydrophobicContact CB-CD 3.99Å; P86-K272 HydrophobicContact CB-CG 4.35Å; P86-K272 WeakPolarHBondContact O-CB 3.22Å; P86-K272 PolarHBondContact O-N 3.02Å
87Y95.6Very high96.9Very high24 Ų2442.2 Ų42.29%0.09420%0.201CC..G310 helixtrans-115.59.9-174.8-49.3-69.8000113.2K83 V84 L85 I122 C271 K272 L274 A277K83-Y87 VanDerWaalsContact O-CD2 3.31Å; K83-Y87 WeakPolarHBondContact O-CD2 3.42Å; K83-Y87 VanDerWaalsContact O-CE2 3.28Å; K83-Y87 WeakPolarHBondContact O-CE2 3.24Å; V84-Y87 PolarHBondContact O-N 3Å; L85-Y87 PolarHBondContact O-N 2.8Å; L85-Y87 VanDerWaalsContact O-N 3.13Å; Y87-I122 HydrophobicContact CD2-CD1 3.98Å; Y87-I122 HydrophobicContact CE2-CD1 4.26Å; Y87-C271 PolarHBondContact O-SG 3.12Å; Y87-C271 VanDerWaalsContact O-SG 3.34Å; Y87-K272 HydrophobicContact CD1-CB 4.25Å; Y87-K272 HydrophobicContact CE1-CB 4.2Å; Y87-L274 HydrophobicContact CD1-CD2 3.87Å; Y87-L274 HydrophobicContact CG-CD2 3.99Å; Y87-A277 HydrophobicContact CE1-CB 3.73Å; Y87-A277 HydrophobicContact CE2-CB 4.31Å; Y87-A277 WeakPolarHBondContact OH-CA 3.36Å; Y87-A277 WeakPolarHBondContact OH-CB 3.34Å
88I95.9Very high97Very high21 Ų2136.9 Ų36.911%0.10818%0.176CC..SBendtrans-126.2169.2173.461.3159.4000109.8V84 L85 M90 I113 F118 F130 T269V84-I88 HydrophobicContact CG1-CD1 4.27Å; V84-I88 HydrophobicContact CG1-CG1 4.39Å; V84-I88 HydrophobicContact CG1-CG2 4.05Å; L85-I88 HydrophobicContact CD1-CD1 4.16Å; L85-I88 HydrophobicContact CD1-CG1 4.27Å; L85-I88 PolarHBondContact O-N 3.35Å; I88-M90 HydrophobicContact CD1-CB 4.24Å; I88-I113 HydrophobicContact CB-CD1 4.45Å; I88-F118 HydrophobicContact CG2-CE2 3.8Å; I88-F118 HydrophobicContact CG2-CZ 3.93Å; I88-F130 HydrophobicContact CD1-CE1 3.74Å; I88-F130 HydrophobicContact CD1-CE2 4.12Å; I88-F130 HydrophobicContact CD1-CZ 3.31Å; I88-T269 PolarHBondContact O-OG1 2.8Å
89R97.5Very high97Very high61 Ų6141.8 Ų41.823%0.2320%0.198CC..EExtended strand (participates in β ladder)trans-121101179.4-59.4172.665.9-171.40.7108.7Q109 G111 C268 T269 C271R89-Q109 HydrophobicContact CB-CB 3.84Å; R89-Q109 VanDerWaalsContact NH2-CD 3.26Å; R89-Q109 PolarHBondContact O-N 3.15Å; R89-G111 VanDerWaalsContact CD-O 3.23Å; R89-G111 WeakPolarHBondContact CD-O 3.36Å; R89-G111 PolarHBondContact NH1-O 3.38Å; R89-C268 HydrophobicContact CB-CB 4.32Å; R89-T269 WeakPolarHBondContact CA-OG1 3.29Å; R89-C271 HydrophobicContact CG-CB 3.88Å
90M97.8Very high97.1Very high5 Ų541 Ų413%0.02520%0.197CC..EExtended strand (participates in β ladder)trans-142.6149.9-178.5-174.1-179.173.200110.3Y75 L85 I88 I106 V107 N108 F130 T134 C268 T269Y75-M90 HydrophobicContact CE1-CE 4.24Å; Y75-M90 VanDerWaalsContact OH-CE 3.27Å; Y75-M90 WeakPolarHBondContact OH-CE 3.34Å; L85-M90 HydrophobicContact CD1-CE 4.05Å; I88-M90 HydrophobicContact CD1-CB 4.24Å; M90-I106 HydrophobicContact CG-CG2 4.01Å; M90-I106 HydrophobicContact SD-CG2 4.13Å; M90-V107 CarbonylContact C-O 3.49Å; M90-V107 WeakPolarHBondContact CA-O 3.42Å; M90-V107 VanDerWaalsContact CG-O 3.3Å; M90-V107 WeakPolarHBondContact CG-O 3.27Å; M90-N108 WeakPolarHBondContact CG-OD1 3.3Å; M90-F130 HydrophobicContact CE-CZ 4.13Å; M90-F130 HydrophobicContact SD-CZ 4.45Å; M90-T134 HydrophobicContact CE-CG2 4.07Å; M90-T134 HydrophobicContact SD-CG2 4.14Å; M90-C268 CarbonylContact O-C 3.47Å; M90-C268 WeakPolarHBondContact O-CA 3.48Å; M90-T269 PolarHBondContact N-OG1 3.42Å; M90-T269 PolarHBondContact O-N 3.33Å; M90-T269 PolarHBondContact O-OG1 2.88Å
91S98.4Very high97.1Very high4 Ų440.8 Ų40.83%0.02820%0.2CC..BIsolated β-bridgetrans-70.5140.6170.3610000111.2V107 W255 C267S91-V107 PolarHBondContact N-O 2.93Å; S91-V107 PolarHBondContact OG-N 3.41Å; S91-W255 VanDerWaalsContact CB-CH2 3.49Å; S91-C267 WeakPolarHBondContact CA-O 3.29Å
92T96.2Very high97.1Very high7 Ų741.7 Ų41.74%0.04321%0.205CC..  trans-125.70.6-176.159.60000113.7Q76 L85 P94 Y137 T269Q76-T92 PolarHBondContact NE2-OG1 3.28Å; L85-T92 HydrophobicContact CD1-CG2 3.85Å; L85-T92 HydrophobicContact CD2-CG2 3.93Å; L85-T92 HydrophobicContact CG-CG2 4.43Å; T92-P94 WeakPolarHBondContact O-CD 3.35Å; T92-Y137 PolarHBondContact O-OH 3.42Å; T92-T269 HydrophobicContact CG2-CG2 3.73Å
93R96.7Very high97.3Very high96 Ų9636.4 Ų36.436%0.36218%0.18SC..  trans-71.5122.1174.6-177.5-174.4-70-176.72.4108.5V96 W255 T256 E257R93-V96 HydrophobicContact CB-CG2 3.98Å; R93-V96 HydrophobicContact CG-CG2 3.84Å; R93-W255 HydrophobicContact CB-CZ2 4.26Å; R93-T256 PolarHBondContact NH2-O 3.35Å; R93-E257 WeakPolarHBondContact CB-OE1 3.07Å; R93-E257 VanDerWaalsContact CZ-CD 3.49Å; R93-E257 IonicContact CZ-OE1 3.72Å; R93-E257 IonicContact CZ-OE2 2.81Å; R93-E257 IonicContact NE-OE1 3.65Å; R93-E257 PolarHBondContact NE-OE1 2.85Å; R93-E257 IonicContact NE-OE2 3.82Å; R93-E257 PolarHBondContact NE-OE2 2.88Å; R93-E257 IonicContact NH2-OE1 2.7Å; R93-E257 PolarHBondContact NH2-OE1 2.57Å; R93-E257 IonicContact NH2-OE2 3.58Å; R93-E257 PolarHBondContact NH2-OE2 3.42Å
94P97.6Very high97.4Very high55 Ų5532.6 Ų32.636%0.35716%0.163SC..THydrogen-bonded Turntrans-7315817630.8-34.3000111.4I72 T92 V96 Y137 Q141I72-P94 HydrophobicContact CG2-CB 3.67Å; I72-P94 HydrophobicContact CG2-CG 4.35Å; T92-P94 WeakPolarHBondContact O-CD 3.35Å; P94-V96 VanDerWaalsContact C-N 3.28Å; P94-V96 PolarHBondContact O-N 3.14Å; P94-Y137 VanDerWaalsContact CA-OH 3.27Å; P94-Y137 WeakPolarHBondContact CA-OH 3.3Å; P94-Y137 HydrophobicContact CB-CE2 4.36Å; P94-Y137 WeakPolarHBondContact CB-OH 3.2Å; P94-Q141 VanDerWaalsContact CA-OE1 3.22Å
95M97.9Very high97.5Very high38 Ų3832.7 Ų32.719%0.18716%0.164CC..THydrogen-bonded Turntrans55.738172.1-56.2-56.7-69.300114I97 Q141 L144 Q145M95-I97 HydrophobicContact CE-CD1 3.99Å; M95-I97 PolarHBondContact O-N 2.88Å; M95-Q141 HydrophobicContact SD-CB 3.59Å; M95-Q141 VanDerWaalsContact SD-CB 3.59Å; M95-Q141 HydrophobicContact SD-CG 3.7Å; M95-L144 HydrophobicContact CE-CB 4.33Å; M95-L144 HydrophobicContact CE-CD2 4.04Å; M95-L144 HydrophobicContact CE-CG 4.1Å; M95-L144 HydrophobicContact SD-CD2 4.01Å; M95-Q145 HydrophobicContact CE-CB 4.16Å
96V98.7Very high97.6Very high11 Ų1132.7 Ų32.77%0.06716%0.164CC..  trans-77.9102.6164.2-178.60000107.5R93 P94 V105 A246 W255R93-V96 HydrophobicContact CB-CG2 3.98Å; R93-V96 HydrophobicContact CG-CG2 3.84Å; P94-V96 VanDerWaalsContact C-N 3.28Å; P94-V96 PolarHBondContact O-N 3.14Å; V96-V105 HydrophobicContact CG1-CB 4.17Å; V96-V105 PolarHBondContact O-N 3.38Å; V96-A246 HydrophobicContact CG1-CB 3.94Å; V96-W255 HydrophobicContact CB-CH2 4.27Å; V96-W255 HydrophobicContact CB-CZ2 4.47Å; V96-W255 HydrophobicContact CB-CZ3 4.43Å; V96-W255 HydrophobicContact CG1-CD2 4.05Å; V96-W255 HydrophobicContact CG1-CE3 3.79Å; V96-W255 HydrophobicContact CG1-CH2 4.09Å; V96-W255 HydrophobicContact CG1-CZ2 4.37Å; V96-W255 HydrophobicContact CG1-CZ3 3.8Å; V96-W255 HydrophobicContact CG2-CH2 3.94Å; V96-W255 HydrophobicContact CG2-CZ2 3.68Å; V96-W255 HydrophobicContact CG2-CZ3 4.48Å
97I98.7Very high97.8Very high27 Ų2731.1 Ų31.114%0.13815%0.154CC..EExtended strand (participates in β ladder)trans-98.3124.3-172-56.2-52.4000110.4M95 E99 T103 V104 Q145 A246M95-I97 HydrophobicContact CE-CD1 3.99Å; M95-I97 PolarHBondContact O-N 2.88Å; I97-E99 PolarHBondContact O-N 3.45Å; I97-T103 CarbonylContact C-O 3.5Å; I97-T103 WeakPolarHBondContact CA-O 3.4Å; I97-V104 HydrophobicContact CD1-CB 4.47Å; I97-V104 HydrophobicContact CD1-CG2 3.74Å; I97-Q145 HydrophobicContact CD1-CB 4.4Å; I97-Q145 HydrophobicContact CD1-CG 4.07Å; I97-A246 VanDerWaalsContact O-CB 3.28Å; I97-A246 WeakPolarHBondContact O-CB 3.35Å
98N98.6Very high98Very high0 Ų031 Ų310%016%0.155CC..EExtended strand (participates in β ladder)trans-71106.2161.8-179.112.7000109.2V100 D101 N102 T103 V105 K241 I242 S243 A246N98-V100 PolarHBondContact O-N 3.07Å; N98-V100 WeakPolarHBondContact OD1-CB 3.48Å; N98-V100 PolarHBondContact OD1-N 3.26Å; N98-V100 VanDerWaalsContact OD1-N 3.15Å; N98-D101 VanDerWaalsContact CG-OD1 3.28Å; N98-D101 PolarHBondContact ND2-OD1 2.87Å; N98-N102 VanDerWaalsContact O-CA 3.3Å; N98-N102 WeakPolarHBondContact O-CA 3.46Å; N98-N102 PolarHBondContact O-N 3.44Å; N98-T103 WeakPolarHBondContact CB-OG1 3.41Å; N98-T103 PolarHBondContact N-O 3.16Å; N98-T103 PolarHBondContact O-N 2.94Å; N98-V105 HydrophobicContact CB-CG2 3.75Å; N98-K241 PolarHBondContact ND2-O 3.26Å; N98-I242 VanDerWaalsContact OD1-CA 3.3Å; N98-I242 WeakPolarHBondContact OD1-CA 3.38Å; N98-S243 PolarHBondContact OD1-N 2.94Å; N98-A246 HydrophobicContact CB-CB 4.46Å
99E98.1Very high98Very high137 Ų13730.6 Ų30.664%0.6415%0.153SC*.THydrogen-bonded Turntrans-71.3-16.2-177.8-65.8173.3-172.500112.9I97 S243 N245I97-E99 PolarHBondContact O-N 3.45Å; E99-S243 PolarHBondContact N-OG 3.14Å; E99-S243 VanDerWaalsContact N-OG 3.07Å; E99-N245 PolarHBondContact OE1-ND2 2.79Å
100V97.3Very high97.9Very high81 Ų8129 Ų2949%0.49115%0.148SC..THydrogen-bonded Turntrans-68.4-39.9179.3178.10000111.6N98N98-V100 PolarHBondContact O-N 3.07Å; N98-V100 WeakPolarHBondContact OD1-CB 3.48Å; N98-V100 PolarHBondContact OD1-N 3.26Å; N98-V100 VanDerWaalsContact OD1-N 3.15Å
101D96.6Very high97.7Very high51 Ų5128.8 Ų28.827%0.27315%0.148SC..THydrogen-bonded Turntrans-133.215.1-174.374.3-8.3000113.9N98 T103N98-D101 VanDerWaalsContact CG-OD1 3.28Å; N98-D101 PolarHBondContact ND2-OD1 2.87Å; D101-T103 VanDerWaalsContact C-N 3.27Å; D101-T103 VanDerWaalsContact CG-CG2 3.48Å; D101-T103 PolarHBondContact O-N 3.41Å; D101-T103 VanDerWaalsContact OD1-CB 3.32Å; D101-T103 WeakPolarHBondContact OD1-CB 3.45Å; D101-T103 WeakPolarHBondContact OD1-CG2 3.46Å; D101-T103 PolarHBondContact OD1-N 3.34Å; D101-T103 PolarHBondContact OD1-OG1 3.29Å
102N98.5Very high97.3Very high19 Ų1931.5 Ų31.510%0.10218%0.177CC..THydrogen-bonded Turntrans62.724.1176.5-166.639.4000114.6N98 Q145 T149 S152 S153N98-N102 VanDerWaalsContact O-CA 3.3Å; N98-N102 WeakPolarHBondContact O-CA 3.46Å; N98-N102 PolarHBondContact O-N 3.44Å; N102-Q145 WeakPolarHBondContact OD1-CG 3.16Å; N102-Q145 PolarHBondContact OD1-NE2 3.33Å; N102-T149 PolarHBondContact ND2-OG1 2.85Å; N102-T149 WeakPolarHBondContact OD1-CG2 3.27Å; N102-S152 PolarHBondContact ND2-O 3.26Å; N102-S153 VanDerWaalsContact O-CB 3.29Å; N102-S153 WeakPolarHBondContact O-CB 3.31Å; N102-S153 PolarHBondContact O-OG 3.47Å
103T98.8Very high97.1Very high0 Ų031.3 Ų31.30%018%0.175CC..EExtended strand (participates in β ladder)trans-97.1156.4-175.559.30000113.7I97 N98 D101 G154 T156 N196I97-T103 CarbonylContact C-O 3.5Å; I97-T103 WeakPolarHBondContact CA-O 3.4Å; N98-T103 WeakPolarHBondContact CB-OG1 3.41Å; N98-T103 PolarHBondContact N-O 3.16Å; N98-T103 PolarHBondContact O-N 2.94Å; D101-T103 VanDerWaalsContact C-N 3.27Å; D101-T103 VanDerWaalsContact CG-CG2 3.48Å; D101-T103 PolarHBondContact O-N 3.41Å; D101-T103 VanDerWaalsContact OD1-CB 3.32Å; D101-T103 WeakPolarHBondContact OD1-CB 3.45Å; D101-T103 WeakPolarHBondContact OD1-CG2 3.46Å; D101-T103 PolarHBondContact OD1-N 3.34Å; D101-T103 PolarHBondContact OD1-OG1 3.29Å; T103-G154 CarbonylContact C-O 3.58Å; T103-G154 VanDerWaalsContact CA-O 3.29Å; T103-G154 WeakPolarHBondContact CA-O 3.5Å; T103-G154 VanDerWaalsContact CB-O 3.24Å; T103-G154 WeakPolarHBondContact CB-O 3.49Å; T103-T156 WeakPolarHBondContact OG1-CB 3.49Å; T103-T156 PolarHBondContact OG1-OG1 3.45Å; T103-N196 HydrophobicContact CG2-CB 3.66Å; T103-N196 VanDerWaalsContact CG2-CG 3.47Å; T103-N196 WeakPolarHBondContact CG2-ND2 3.36Å
104V98.9Very high96.8Very high1 Ų129.3 Ų29.31%0.00617%0.172CC..EExtended strand (participates in β ladder)trans-84128.1170-179.40000108.9I97 Q141 V142 G154 L155 T156I97-V104 HydrophobicContact CD1-CB 4.47Å; I97-V104 HydrophobicContact CD1-CG2 3.74Å; V104-Q141 HydrophobicContact CG1-CB 4.12Å; V104-Q141 HydrophobicContact CG2-CB 3.87Å; V104-V142 HydrophobicContact CB-CG2 4.4Å; V104-V142 HydrophobicContact CG2-CG2 4.06Å; V104-G154 PolarHBondContact N-O 3.3Å; V104-L155 HydrophobicContact CB-CD2 3.99Å; V104-L155 HydrophobicContact CG1-CD2 4.5Å; V104-L155 WeakPolarHBondContact O-CA 3.42Å; V104-T156 PolarHBondContact O-N 3.35Å
105V98.9Very high96.6Very high2 Ų227.3 Ų27.31%0.01216%0.157CC..EExtended strand (participates in β ladder)trans-91.7130.4-179.6-178.20000111.1V96 N98 V107 T156 I158 I242 A246 W255V96-V105 HydrophobicContact CG1-CB 4.17Å; V96-V105 PolarHBondContact O-N 3.38Å; N98-V105 HydrophobicContact CB-CG2 3.75Å; V105-V107 HydrophobicContact CG1-CG2 4.17Å; V105-T156 VanDerWaalsContact CA-O 3.31Å; V105-T156 WeakPolarHBondContact CA-O 3.43Å; V105-T156 HydrophobicContact CG1-CG2 4.4Å; V105-T156 HydrophobicContact CG2-CG2 4.04Å; V105-I158 HydrophobicContact CG1-CD1 4.02Å; V105-I158 HydrophobicContact CG1-CG1 4.41Å; V105-I242 HydrophobicContact CG2-CG2 4.39Å; V105-A246 HydrophobicContact CG2-CB 3.84Å; V105-W255 HydrophobicContact CG1-CZ3 4.17Å
106I98.8Very high96.2Very high13 Ų1329 Ų297%0.06717%0.165CC..EExtended strand (participates in β ladder)trans-128.7129169.4-57.2175.1000109.1M90 A138 L155 T156 L157 I158M90-I106 HydrophobicContact CG-CG2 4.01Å; M90-I106 HydrophobicContact SD-CG2 4.13Å; I106-A138 HydrophobicContact CD1-CB 3.72Å; I106-L155 HydrophobicContact CD1-CD2 4.42Å; I106-T156 PolarHBondContact N-O 3.44Å; I106-L157 HydrophobicContact CB-CD2 3.78Å; I106-L157 HydrophobicContact CD1-CD2 4.42Å; I106-L157 HydrophobicContact CG1-CD2 4.44Å; I106-L157 HydrophobicContact CG2-CD2 4.5Å; I106-L157 WeakPolarHBondContact O-CA 3.46Å; I106-I158 PolarHBondContact O-N 3.08Å
107V98.8Very high95.9Very high0 Ų035.5 Ų35.50%019%0.188CC..EExtended strand (participates in β ladder)trans-108133.2-177.8-172.10000109.5M90 S91 V105 I158 P248 Y251 W255 C268M90-V107 CarbonylContact C-O 3.49Å; M90-V107 WeakPolarHBondContact CA-O 3.42Å; M90-V107 VanDerWaalsContact CG-O 3.3Å; M90-V107 WeakPolarHBondContact CG-O 3.27Å; S91-V107 PolarHBondContact N-O 2.93Å; S91-V107 PolarHBondContact OG-N 3.41Å; V105-V107 HydrophobicContact CG1-CG2 4.17Å; V107-I158 CarbonylContact C-O 3.6Å; V107-I158 WeakPolarHBondContact CA-O 3.39Å; V107-I158 HydrophobicContact CG1-CB 4.34Å; V107-I158 HydrophobicContact CG1-CG2 4.4Å; V107-I158 HydrophobicContact CG2-CB 4.32Å; V107-I158 HydrophobicContact CG2-CD1 4.26Å; V107-P248 HydrophobicContact CG1-CG 4.36Å; V107-P248 HydrophobicContact CG2-CG 3.74Å; V107-Y251 HydrophobicContact CG1-CE2 3.78Å; V107-W255 HydrophobicContact CG2-CE3 4.47Å; V107-W255 HydrophobicContact CG2-CH2 4.01Å; V107-W255 HydrophobicContact CG2-CZ3 3.52Å; V107-C268 VanDerWaalsContact CG1-SG 3.59Å
108N98.4Very high95.7Very high22 Ų2234.5 Ų34.512%0.11818%0.182CC..EExtended strand (participates in β ladder)trans-125.5133.2175.3-67.2-91000109M90 I158 Y159 D160M90-N108 WeakPolarHBondContact CG-OD1 3.3Å; N108-I158 PolarHBondContact N-O 2.92Å; N108-Y159 HydrophobicContact CB-CD1 3.71Å; N108-Y159 HydrophobicContact CB-CD2 4.46Å; N108-Y159 HydrophobicContact CB-CE1 3.64Å; N108-Y159 HydrophobicContact CB-CE2 4.41Å; N108-Y159 HydrophobicContact CB-CG 4.15Å; N108-Y159 CarbonylContact O-C 3.51Å; N108-Y159 WeakPolarHBondContact O-CA 3.41Å; N108-D160 PolarHBondContact O-N 3.39Å
109Q97.5Very high95.4Very high13 Ų1335.1 Ų35.16%0.06119%0.187CC..EExtended strand (participates in β ladder)trans-111.3126.3169.1-55-170.2-80.900109.4R89 D160 Y251 S266 C268R89-Q109 HydrophobicContact CB-CB 3.84Å; R89-Q109 VanDerWaalsContact NH2-CD 3.26Å; R89-Q109 PolarHBondContact O-N 3.15Å; Q109-D160 HydrophobicContact CB-CB 4.46Å; Q109-D160 HydrophobicContact CG-CB 4.08Å; Q109-D160 PolarHBondContact NE2-OD2 3.33Å; Q109-Y251 PolarHBondContact NE2-OH 2.9Å; Q109-Y251 VanDerWaalsContact NE2-OH 3.16Å; Q109-S266 PolarHBondContact OE1-OG 3.31Å; Q109-C268 HydrophobicContact CG-CB 4.3Å
110L95Very high95.1Very high26 Ų2633.4 Ų33.414%0.13618%0.177CC..  trans-94.5-12.1-176.5-57.9-178.8000113.2Y115 Y159 D160 F161 F164L110-Y115 WeakPolarHBondContact CA-OH 3.18Å; L110-Y115 WeakPolarHBondContact CD2-OH 3.48Å; L110-Y115 WeakPolarHBondContact O-CE2 3.36Å; L110-Y115 PolarHBondContact O-OH 3.42Å; L110-Y159 HydrophobicContact CD1-CD1 4.02Å; L110-Y159 HydrophobicContact CD2-CD1 3.99Å; L110-Y159 HydrophobicContact CD2-CE1 4.14Å; L110-Y159 HydrophobicContact CG-CD1 4.08Å; L110-D160 PolarHBondContact N-O 2.68Å; L110-F161 HydrophobicContact CD1-CD1 3.75Å; L110-F161 HydrophobicContact CD1-CD2 4.02Å; L110-F161 HydrophobicContact CD1-CE1 3.35Å; L110-F161 HydrophobicContact CD1-CE2 3.68Å; L110-F161 HydrophobicContact CD1-CG 4.07Å; L110-F161 HydrophobicContact CD1-CZ 3.33Å; L110-F164 HydrophobicContact CB-CB 4.13Å; L110-F164 HydrophobicContact CB-CD2 3.62Å; L110-F164 HydrophobicContact CB-CE2 4.3Å; L110-F164 HydrophobicContact CB-CG 4.09Å; L110-F164 HydrophobicContact CD1-CD2 4.31Å; L110-F164 HydrophobicContact CD1-CE2 4.44Å
111G93.3Very high94.9Very high1 Ų130.9 Ų30.91%0.0116%0.162CC..THydrogen-bonded Turntrans-80.1156.4178.200000114.6R89 I113 N162 G163R89-G111 VanDerWaalsContact CD-O 3.23Å; R89-G111 WeakPolarHBondContact CD-O 3.36Å; R89-G111 PolarHBondContact NH1-O 3.38Å; G111-I113 VanDerWaalsContact C-N 3.29Å; G111-N162 WeakPolarHBondContact CA-O 3.38Å; G111-N162 PolarHBondContact N-O 3.43Å; G111-G163 VanDerWaalsContact CA-C 3.44Å; G111-G163 WeakPolarHBondContact CA-O 3.45Å
112G89.3Confident94.8Very high62 Ų6229.1 Ų29.164%0.63915%0.152SC*.THydrogen-bonded Turntrans7812.3176.900000114.3
113I91.9Very high94.6Very high3 Ų328.4 Ų28.42%0.01515%0.149CC..  trans-113.8124.5177.4-55.3169000108.2I88 G111 Y115 F118I88-I113 HydrophobicContact CB-CD1 4.45Å; G111-I113 VanDerWaalsContact C-N 3.29Å; I113-Y115 HydrophobicContact CB-CD2 4.37Å; I113-Y115 HydrophobicContact CB-CE1 4.27Å; I113-Y115 HydrophobicContact CB-CE2 3.93Å; I113-Y115 HydrophobicContact CD1-CE1 4.48Å; I113-Y115 HydrophobicContact CG2-CD1 3.99Å; I113-Y115 HydrophobicContact CG2-CD2 4.4Å; I113-Y115 HydrophobicContact CG2-CE1 3.85Å; I113-Y115 HydrophobicContact CG2-CE2 4.27Å; I113-Y115 HydrophobicContact CG2-CG 4.27Å; I113-Y115 WeakPolarHBondContact O-CD2 3.36Å; I113-Y115 PolarHBondContact O-N 3.29Å; I113-F118 HydrophobicContact CG2-CB 4.48Å; I113-F118 HydrophobicContact CG2-CD2 4.28Å
114D91.3Very high94.5Very high54 Ų5429.2 Ų29.229%0.28915%0.154SC..  trans-82.791169.7180-23.3000108.1H116 R117 F118 L274D114-H116 PolarHBondContact O-N 3.15Å; D114-H116 WeakPolarHBondContact OD1-CB 3.15Å; D114-H116 PolarHBondContact OD1-N 2.69Å; D114-R117 HydrophobicContact CB-CB 4.25Å; D114-R117 HydrophobicContact CB-CG 4.48Å; D114-R117 PolarHBondContact O-N 3.08Å; D114-R117 PolarHBondContact OD1-N 3.32Å; D114-R117 WeakPolarHBondContact OD2-CD 3.39Å; D114-R117 VanDerWaalsContact OD2-CG 3.25Å; D114-R117 WeakPolarHBondContact OD2-CG 3.3Å; D114-R117 IonicContact OD2-CZ 3.39Å; D114-R117 IonicContact OD2-NE 3.07Å; D114-R117 PolarHBondContact OD2-NE 2.58Å; D114-F118 VanDerWaalsContact O-CB 3.31Å; D114-F118 WeakPolarHBondContact O-CB 3.3Å; D114-F118 PolarHBondContact O-N 2.97Å; D114-L274 HydrophobicContact CB-CD1 4.04Å; D114-L274 VanDerWaalsContact O-CD1 3.25Å; D114-L274 WeakPolarHBondContact O-CD1 3.5Å
115Y92.3Very high94.4Very high13 Ų1329.6 Ų29.65%0.05116%0.155CC..Hα-helixtrans-65-26.5-176.3-72.2-75.1000113.8L110 I113 S119 F164 Y169 I176L110-Y115 WeakPolarHBondContact CA-OH 3.18Å; L110-Y115 WeakPolarHBondContact CD2-OH 3.48Å; L110-Y115 WeakPolarHBondContact O-CE2 3.36Å; L110-Y115 PolarHBondContact O-OH 3.42Å; I113-Y115 HydrophobicContact CB-CD2 4.37Å; I113-Y115 HydrophobicContact CB-CE1 4.27Å; I113-Y115 HydrophobicContact CB-CE2 3.93Å; I113-Y115 HydrophobicContact CD1-CE1 4.48Å; I113-Y115 HydrophobicContact CG2-CD1 3.99Å; I113-Y115 HydrophobicContact CG2-CD2 4.4Å; I113-Y115 HydrophobicContact CG2-CE1 3.85Å; I113-Y115 HydrophobicContact CG2-CE2 4.27Å; I113-Y115 HydrophobicContact CG2-CG 4.27Å; I113-Y115 WeakPolarHBondContact O-CD2 3.36Å; I113-Y115 PolarHBondContact O-N 3.29Å; Y115-S119 PolarHBondContact O-N 3.43Å; Y115-F164 HydrophobicContact CD2-CD2 4.42Å; Y115-F164 HydrophobicContact CD2-CE2 4.07Å; Y115-F164 AromaticContact CE2-CD2 3.72Å; Y115-F164 HydrophobicContact CE2-CD2 3.72Å; Y115-F164 AromaticContact CE2-CE2 3.59Å; Y115-F164 HydrophobicContact CE2-CE2 3.59Å; Y115-Y169 AromaticContact CD1-CE2 3.83Å; Y115-Y169 HydrophobicContact CD1-CE2 3.83Å; Y115-Y169 AromaticContact CD2-CE2 3.79Å; Y115-Y169 HydrophobicContact CD2-CE2 3.79Å; Y115-Y169 HydrophobicContact CE1-CE2 4.18Å; Y115-Y169 WeakPolarHBondContact CE1-OH 3.33Å; Y115-Y169 HydrophobicContact CE2-CE2 4.15Å; Y115-Y169 AromaticContact CG-CE2 3.61Å; Y115-Y169 HydrophobicContact CG-CE2 3.61Å; Y115-I176 HydrophobicContact CD1-CD1 4.14Å; Y115-I176 HydrophobicContact CD1-CG1 3.97Å; Y115-I176 HydrophobicContact CG-CG1 4.42Å
116H91Very high94.3Very high74 Ų7430.6 Ų30.634%0.34316%0.16SC..Hα-helixtrans-61.7-53.9172.1-172.977.3000110.4D114 S119 K120 D168D114-H116 PolarHBondContact O-N 3.15Å; D114-H116 WeakPolarHBondContact OD1-CB 3.15Å; D114-H116 PolarHBondContact OD1-N 2.69Å; H116-S119 PolarHBondContact O-N 3.07Å; H116-S119 PolarHBondContact O-OG 2.81Å; H116-K120 WeakPolarHBondContact NE2-CE 3.35Å; H116-K120 PolarHBondContact NE2-NZ 3.46Å; H116-D168 WeakPolarHBondContact CB-OD2 3.3Å; H116-D168 IonicContact CG-OD1 3.32Å; H116-D168 IonicContact ND1-OD1 2.78Å; H116-D168 PolarHBondContact ND1-OD1 2.8Å; H116-D168 VanDerWaalsContact ND1-OD1 3.08Å
117R92Very high94.3Very high147 Ų14730.2 Ų30.256%0.55516%0.159SC*.Hα-helixtrans-67.2-36.7176.8-69.4-178.2-165.7-158.7-2.9112.3D114 S119 K120 V121 L274D114-R117 HydrophobicContact CB-CB 4.25Å; D114-R117 HydrophobicContact CB-CG 4.48Å; D114-R117 PolarHBondContact O-N 3.08Å; D114-R117 PolarHBondContact OD1-N 3.32Å; D114-R117 WeakPolarHBondContact OD2-CD 3.39Å; D114-R117 VanDerWaalsContact OD2-CG 3.25Å; D114-R117 WeakPolarHBondContact OD2-CG 3.3Å; D114-R117 IonicContact OD2-CZ 3.39Å; D114-R117 IonicContact OD2-NE 3.07Å; D114-R117 PolarHBondContact OD2-NE 2.58Å; R117-S119 PolarHBondContact O-N 3.2Å; R117-K120 WeakPolarHBondContact O-CA 3.33Å; R117-K120 WeakPolarHBondContact O-CB 3.46Å; R117-K120 PolarHBondContact O-N 3.17Å; R117-V121 PolarHBondContact O-N 3.45Å; R117-L274 HydrophobicContact CB-CD1 3.85Å
118F93.9Very high94.3Very high5 Ų530.3 Ų30.32%0.02216%0.159CC..Hα-helixtrans-54.7-41.6177.8-176.5-93.2000111.2V84 I88 I113 D114 K120 V121 I122 L127 I176 L274V84-F118 HydrophobicContact CG1-CZ 4.13Å; I88-F118 HydrophobicContact CG2-CE2 3.8Å; I88-F118 HydrophobicContact CG2-CZ 3.93Å; I113-F118 HydrophobicContact CG2-CB 4.48Å; I113-F118 HydrophobicContact CG2-CD2 4.28Å; D114-F118 VanDerWaalsContact O-CB 3.31Å; D114-F118 WeakPolarHBondContact O-CB 3.3Å; D114-F118 PolarHBondContact O-N 2.97Å; F118-K120 PolarHBondContact O-N 2.89Å; F118-V121 PolarHBondContact O-N 2.91Å; F118-I122 HydrophobicContact CD2-CG1 4.22Å; F118-I122 HydrophobicContact CE1-CB 4.13Å; F118-I122 HydrophobicContact CE1-CG1 4.19Å; F118-I122 HydrophobicContact CE1-CG2 4.48Å; F118-I122 HydrophobicContact CE2-CG1 3.78Å; F118-I122 HydrophobicContact CZ-CB 4.16Å; F118-I122 HydrophobicContact CZ-CG1 3.77Å; F118-I122 HydrophobicContact CZ-CG2 4.42Å; F118-I122 PolarHBondContact O-N 3.23Å; F118-L127 HydrophobicContact CE1-CD1 4.05Å; F118-L127 HydrophobicContact CE1-CD2 3.86Å; F118-L127 HydrophobicContact CZ-CD1 4.09Å; F118-I176 HydrophobicContact CD1-CD1 3.97Å; F118-I176 HydrophobicContact CE1-CD1 4.29Å; F118-L274 HydrophobicContact CB-CD1 4.13Å; F118-L274 HydrophobicContact CB-CD2 4.45Å; F118-L274 HydrophobicContact CD2-CD2 4.04Å
119S92.9Very high94.3Very high13 Ų1329.3 Ų29.39%0.09115%0.154CC..THydrogen-bonded Turntrans-68.2-10.9177.274.70000115.5Y115 H116 R117 F351Y115-S119 PolarHBondContact O-N 3.43Å; H116-S119 PolarHBondContact O-N 3.07Å; H116-S119 PolarHBondContact O-OG 2.81Å; R117-S119 PolarHBondContact O-N 3.2Å; S119-F351 WeakPolarHBondContact O-CE1 3.36Å
120K91.8Very high94.3Very high101 Ų10129 Ų2944%0.43915%0.152SC..THydrogen-bonded Turntrans-102.71.9174.2-59.1179.8-179.51780112.7H116 R117 F118 L347 F351H116-K120 WeakPolarHBondContact NE2-CE 3.35Å; H116-K120 PolarHBondContact NE2-NZ 3.46Å; R117-K120 WeakPolarHBondContact O-CA 3.33Å; R117-K120 WeakPolarHBondContact O-CB 3.46Å; R117-K120 PolarHBondContact O-N 3.17Å; F118-K120 PolarHBondContact O-N 2.89Å; K120-L347 HydrophobicContact CG-CD1 3.91Å; K120-F351 VanDerWaalsContact C-CE2 3.44Å; K120-F351 WeakPolarHBondContact O-CE2 3.41Å
121V93.1Very high94.5Very high29 Ų2930 Ų3018%0.17615%0.154CC..THydrogen-bonded Turntrans-115.9-44.7-179.5168.50000110.3R117 F118 L274 A277R117-V121 PolarHBondContact O-N 3.45Å; F118-V121 PolarHBondContact O-N 2.91Å; V121-L274 HydrophobicContact CB-CD2 4.42Å; V121-L274 HydrophobicContact CG1-CD2 4.39Å; V121-L274 HydrophobicContact CG2-CD2 4.37Å; V121-A277 HydrophobicContact CB-CB 4.27Å; V121-A277 HydrophobicContact CG1-CB 3.19Å; V121-A277 HydrophobicContact CG2-CB 4.03Å
122I94.8Very high94.7Very high13 Ų1330 Ų307%0.06715%0.154CC..SBendtrans-103.6123.6-178.5-56.2-56.4000109.5K83 V84 Y87 F118 D126 L127 F351K83-I122 VanDerWaalsContact O-CD1 3.23Å; K83-I122 WeakPolarHBondContact O-CD1 3.5Å; V84-I122 HydrophobicContact CG2-CD1 4.47Å; V84-I122 HydrophobicContact CG2-CG2 3.76Å; Y87-I122 HydrophobicContact CD2-CD1 3.98Å; Y87-I122 HydrophobicContact CE2-CD1 4.26Å; F118-I122 HydrophobicContact CD2-CG1 4.22Å; F118-I122 HydrophobicContact CE1-CB 4.13Å; F118-I122 HydrophobicContact CE1-CG1 4.19Å; F118-I122 HydrophobicContact CE1-CG2 4.48Å; F118-I122 HydrophobicContact CE2-CG1 3.78Å; F118-I122 HydrophobicContact CZ-CB 4.16Å; F118-I122 HydrophobicContact CZ-CG1 3.77Å; F118-I122 HydrophobicContact CZ-CG2 4.42Å; F118-I122 PolarHBondContact O-N 3.23Å; I122-D126 HydrophobicContact CG2-CB 4.02Å; I122-L127 HydrophobicContact CG2-CB 3.92Å; I122-F351 WeakPolarHBondContact O-CE1 3.26Å
123S94.5Very high95.2Very high5 Ų527.1 Ų27.14%0.03512%0.124CC..  trans-65.4152.317677.20000111.6R125 D126 L127S123-R125 PolarHBondContact O-N 2.87Å; S123-D126 PolarHBondContact O-N 3.07Å; S123-D126 VanDerWaalsContact O-N 3.11Å; S123-D126 WeakPolarHBondContact OG-CB 3.31Å; S123-D126 PolarHBondContact OG-N 3.36Å; S123-D126 PolarHBondContact OG-OD2 3.31Å; S123-L127 PolarHBondContact O-N 3.27Å
124V97.1Very high95.5Very high17 Ų1727.8 Ų27.810%0.10313%0.128CC..Hα-helixtrans-54.2-43.9174.71770000110.2L127 L128 T179 L343 C344V124-L127 PolarHBondContact O-N 3.31Å; V124-L128 HydrophobicContact CG1-CD1 3.86Å; V124-L128 HydrophobicContact CG1-CG 4.37Å; V124-L128 WeakPolarHBondContact O-CB 3.38Å; V124-L128 WeakPolarHBondContact O-CG 3.24Å; V124-L128 PolarHBondContact O-N 3.23Å; V124-T179 HydrophobicContact CB-CG2 4.4Å; V124-T179 HydrophobicContact CG1-CG2 3.96Å; V124-T179 WeakPolarHBondContact CG2-OG1 3.36Å; V124-L343 HydrophobicContact CG1-CD2 4.39Å; V124-C344 WeakPolarHBondContact CG2-O 3.35Å
125R96.7Very high95.9Very high9 Ų925.9 Ų25.93%0.03412%0.12CC..Hα-helixtrans-61.6-48.3175.4171179.7-58.1-80.71.8112.6S123 L127 L128 M129 D353S123-R125 PolarHBondContact O-N 2.87Å; R125-L127 VanDerWaalsContact C-N 3.26Å; R125-L127 PolarHBondContact O-N 2.94Å; R125-L128 PolarHBondContact O-N 3.04Å; R125-M129 HydrophobicContact CG-CG 4.08Å; R125-M129 WeakPolarHBondContact O-CB 3.45Å; R125-M129 WeakPolarHBondContact O-CG 3.35Å; R125-M129 PolarHBondContact O-N 3.38Å; R125-D353 WeakPolarHBondContact CB-OD1 3.32Å; R125-D353 IonicContact CZ-OD1 2.73Å; R125-D353 IonicContact CZ-OD2 3.99Å; R125-D353 IonicContact NE-OD1 3.43Å; R125-D353 PolarHBondContact NE-OD1 3.1Å; R125-D353 IonicContact NE-OD2 3.1Å; R125-D353 PolarHBondContact NE-OD2 2.78Å; R125-D353 VanDerWaalsContact NE-OD2 3.09Å; R125-D353 IonicContact NH2-OD1 2.97Å; R125-D353 IonicContact NH2-OD2 3.37Å; R125-D353 PolarHBondContact NH2-OD2 3.14Å
126D96.5Very high96.1Very high22 Ų2225.3 Ų25.312%0.11812%0.118CC..Hα-helixtrans-61.1-40.4-177.6-70.4-46.3000110.9Y80 K83 I122 S123 F130Y80-D126 WeakPolarHBondContact CD1-OD1 3.25Å; K83-D126 HydrophobicContact CD-CB 4.3Å; K83-D126 WeakPolarHBondContact CD-OD1 3.2Å; K83-D126 IonicContact NZ-OD1 2.92Å; K83-D126 PolarHBondContact NZ-OD1 2.94Å; K83-D126 IonicContact NZ-OD2 3.36Å; I122-D126 HydrophobicContact CG2-CB 4.02Å; S123-D126 PolarHBondContact O-N 3.07Å; S123-D126 VanDerWaalsContact O-N 3.11Å; S123-D126 WeakPolarHBondContact OG-CB 3.31Å; S123-D126 PolarHBondContact OG-N 3.36Å; S123-D126 PolarHBondContact OG-OD2 3.31Å; D126-F130 VanDerWaalsContact O-CB 3.28Å; D126-F130 WeakPolarHBondContact O-CB 3.39Å; D126-F130 PolarHBondContact O-N 2.87Å
127L97.9Very high96.5Very high6 Ų622.1 Ų22.13%0.03110%0.103CC..Hα-helixtrans-68.5-42.2177.3-170.657000112.5V84 F118 I122 S123 V124 R125 F130 Y131 I176 T179V84-L127 HydrophobicContact CG1-CD1 3.91Å; V84-L127 HydrophobicContact CG2-CD1 4.48Å; F118-L127 HydrophobicContact CE1-CD1 4.05Å; F118-L127 HydrophobicContact CE1-CD2 3.86Å; F118-L127 HydrophobicContact CZ-CD1 4.09Å; I122-L127 HydrophobicContact CG2-CB 3.92Å; S123-L127 PolarHBondContact O-N 3.27Å; V124-L127 PolarHBondContact O-N 3.31Å; R125-L127 VanDerWaalsContact C-N 3.26Å; R125-L127 PolarHBondContact O-N 2.94Å; L127-F130 HydrophobicContact CD1-CD1 4.11Å; L127-F130 WeakPolarHBondContact O-CB 3.37Å; L127-F130 PolarHBondContact O-N 3.39Å; L127-Y131 HydrophobicContact CD1-CE1 3.91Å; L127-Y131 HydrophobicContact CD1-CE2 4.37Å; L127-Y131 HydrophobicContact CD2-CE2 4.28Å; L127-Y131 HydrophobicContact CG-CD2 4.48Å; L127-Y131 HydrophobicContact CG-CE1 4.29Å; L127-Y131 HydrophobicContact CG-CE2 3.83Å; L127-Y131 WeakPolarHBondContact O-CD2 3.36Å; L127-Y131 PolarHBondContact O-N 3.44Å; L127-I176 HydrophobicContact CD2-CD1 4.13Å; L127-T179 HydrophobicContact CB-CG2 4.05Å; L127-T179 HydrophobicContact CD2-CG2 3.63Å; L127-T179 HydrophobicContact CG-CG2 4.13Å
128L98.6Very high96.8Very high1 Ų115.2 Ų15.21%0.0058%0.078CC..Hα-helixtrans-68.6-37.4178-67.1177.8000112.2V124 R125 Y131 F132 T179 L182 M186 M341 L343V124-L128 HydrophobicContact CG1-CD1 3.86Å; V124-L128 HydrophobicContact CG1-CG 4.37Å; V124-L128 WeakPolarHBondContact O-CB 3.38Å; V124-L128 WeakPolarHBondContact O-CG 3.24Å; V124-L128 PolarHBondContact O-N 3.23Å; R125-L128 PolarHBondContact O-N 3.04Å; L128-Y131 HydrophobicContact CD2-CD2 4.14Å; L128-Y131 PolarHBondContact O-N 2.93Å; L128-F132 PolarHBondContact O-N 2.89Å; L128-T179 HydrophobicContact CD2-CG2 4.22Å; L128-T179 HydrophobicContact CG-CG2 4.2Å; L128-L182 HydrophobicContact CD1-CB 4.23Å; L128-L182 HydrophobicContact CD1-CD1 4.48Å; L128-L182 HydrophobicContact CD2-CB 4.02Å; L128-M186 HydrophobicContact CB-CE 3.97Å; L128-M186 HydrophobicContact CD2-CE 4.23Å; L128-M341 HydrophobicContact CB-CE 3.47Å; L128-M341 VanDerWaalsContact CB-CE 3.47Å; L128-L343 HydrophobicContact CD1-CD2 3.6Å
129M98.4Very high97Very high2 Ų215.3 Ų15.31%0.018%0.078CC..Hα-helixtrans-67.1-39172.7-74.3-60.1-59.700111.3A64 Y80 R125 Y131 F132 V133 P339 M341A64-M129 HydrophobicContact CB-CE 3.76Å; Y80-M129 HydrophobicContact CD1-CB 3.5Å; Y80-M129 HydrophobicContact CD1-CG 4.14Å; Y80-M129 HydrophobicContact CD2-CB 3.75Å; Y80-M129 HydrophobicContact CD2-CE 3.99Å; Y80-M129 HydrophobicContact CD2-CG 4.41Å; Y80-M129 HydrophobicContact CE1-CB 3.76Å; Y80-M129 HydrophobicContact CE1-CG 3.84Å; Y80-M129 HydrophobicContact CE2-CB 4Å; Y80-M129 HydrophobicContact CE2-CE 3.51Å; Y80-M129 HydrophobicContact CE2-CG 4.15Å; Y80-M129 HydrophobicContact CG-CB 3.49Å; Y80-M129 VanDerWaalsContact CG-CB 3.49Å; Y80-M129 HydrophobicContact CG-CG 4.4Å; R125-M129 HydrophobicContact CG-CG 4.08Å; R125-M129 WeakPolarHBondContact O-CB 3.45Å; R125-M129 WeakPolarHBondContact O-CG 3.35Å; R125-M129 PolarHBondContact O-N 3.38Å; M129-Y131 VanDerWaalsContact C-N 3.33Å; M129-Y131 PolarHBondContact O-N 3.34Å; M129-F132 PolarHBondContact O-N 3.32Å; M129-V133 WeakPolarHBondContact O-CG2 3.27Å; M129-V133 PolarHBondContact O-N 3.41Å; M129-P339 HydrophobicContact CE-CG 4.3Å; M129-P339 HydrophobicContact SD-CG 4.2Å; M129-M341 HydrophobicContact CG-CE 4.47Å; M129-M341 HydrophobicContact CG-SD 4.11Å; M129-M341 HydrophobicContact SD-CE 4.04Å; M129-M341 HydrophobicContact SD-SD 3.53Å
130F98.6Very high97.3Very high7 Ų715.7 Ų15.73%0.0318%0.078CC..Hα-helixtrans-57.6-45.3171.1165.7-98.9000111.7Y75 V81 V84 I88 M90 D126 L127 F132 V133 T134Y75-F130 WeakPolarHBondContact OH-CE2 3.44Å; V81-F130 HydrophobicContact CG2-CD2 4.14Å; V81-F130 HydrophobicContact CG2-CE2 4.43Å; V84-F130 HydrophobicContact CB-CB 3.99Å; V84-F130 HydrophobicContact CB-CD1 4.25Å; V84-F130 HydrophobicContact CB-CD2 3.8Å; V84-F130 HydrophobicContact CB-CE2 4.38Å; V84-F130 HydrophobicContact CB-CG 3.72Å; V84-F130 HydrophobicContact CG1-CB 4.3Å; V84-F130 HydrophobicContact CG1-CD1 3.69Å; V84-F130 HydrophobicContact CG1-CD2 4.04Å; V84-F130 HydrophobicContact CG1-CE1 4.02Å; V84-F130 HydrophobicContact CG1-CE2 4.32Å; V84-F130 HydrophobicContact CG1-CG 3.71Å; V84-F130 HydrophobicContact CG1-CZ 4.33Å; V84-F130 HydrophobicContact CG2-CB 3.71Å; V84-F130 HydrophobicContact CG2-CD2 4.45Å; V84-F130 HydrophobicContact CG2-CG 4.01Å; I88-F130 HydrophobicContact CD1-CE1 3.74Å; I88-F130 HydrophobicContact CD1-CE2 4.12Å; I88-F130 HydrophobicContact CD1-CZ 3.31Å; M90-F130 HydrophobicContact CE-CZ 4.13Å; M90-F130 HydrophobicContact SD-CZ 4.45Å; D126-F130 VanDerWaalsContact O-CB 3.28Å; D126-F130 WeakPolarHBondContact O-CB 3.39Å; D126-F130 PolarHBondContact O-N 2.87Å; L127-F130 HydrophobicContact CD1-CD1 4.11Å; L127-F130 WeakPolarHBondContact O-CB 3.37Å; L127-F130 PolarHBondContact O-N 3.39Å; F130-F132 VanDerWaalsContact C-N 3.34Å; F130-F132 PolarHBondContact O-N 3Å; F130-V133 PolarHBondContact O-N 3.07Å; F130-T134 VanDerWaalsContact CE2-OG1 3.31Å; F130-T134 WeakPolarHBondContact CE2-OG1 3.35Å; F130-T134 WeakPolarHBondContact CZ-OG1 3.39Å; F130-T134 VanDerWaalsContact O-CB 3.26Å; F130-T134 WeakPolarHBondContact O-CB 3.41Å; F130-T134 PolarHBondContact O-N 3.4Å; F130-T134 PolarHBondContact O-OG1 3.36Å
131Y98.7Very high97.6Very high46 Ų4611 Ų1118%0.186%0.058CC..Hα-helixtrans-61-43.2174.8-66.4-27.7000112.1L127 L128 M129 T134 A135L127-Y131 HydrophobicContact CD1-CE1 3.91Å; L127-Y131 HydrophobicContact CD1-CE2 4.37Å; L127-Y131 HydrophobicContact CD2-CE2 4.28Å; L127-Y131 HydrophobicContact CG-CD2 4.48Å; L127-Y131 HydrophobicContact CG-CE1 4.29Å; L127-Y131 HydrophobicContact CG-CE2 3.83Å; L127-Y131 WeakPolarHBondContact O-CD2 3.36Å; L127-Y131 PolarHBondContact O-N 3.44Å; L128-Y131 HydrophobicContact CD2-CD2 4.14Å; L128-Y131 PolarHBondContact O-N 2.93Å; M129-Y131 VanDerWaalsContact C-N 3.33Å; M129-Y131 PolarHBondContact O-N 3.34Å; Y131-T134 PolarHBondContact O-N 2.85Å; Y131-A135 WeakPolarHBondContact O-CB 3.46Å; Y131-A135 PolarHBondContact O-N 3.15Å
132F98.6Very high97.9Very high2 Ų29.6 Ų9.61%0.0095%0.049CC..Hα-helixtrans-63.8-47.8179.9-165.6-166.1000111.7Y57 N60 R61 A64 L66 L128 M129 F130 T134 A135 E136 M186 Y190 Y191Y57-F132 HydrophobicContact CD2-CE2 4.24Å; Y57-F132 HydrophobicContact CD2-CZ 4.49Å; Y57-F132 HydrophobicContact CE2-CE2 4.14Å; N60-F132 HydrophobicContact CB-CE1 4Å; N60-F132 HydrophobicContact CB-CZ 4.16Å; R61-F132 HydrophobicContact CB-CZ 4.19Å; A64-F132 HydrophobicContact CB-CD1 4.06Å; A64-F132 HydrophobicContact CB-CE1 3.84Å; L66-F132 HydrophobicContact CD1-CB 4.44Å; L66-F132 HydrophobicContact CD1-CD1 3.73Å; L66-F132 HydrophobicContact CD1-CD2 3.83Å; L66-F132 HydrophobicContact CD1-CE1 3.86Å; L66-F132 HydrophobicContact CD1-CE2 3.95Å; L66-F132 HydrophobicContact CD1-CG 3.72Å; L66-F132 HydrophobicContact CD1-CZ 3.97Å; L128-F132 PolarHBondContact O-N 2.89Å; M129-F132 PolarHBondContact O-N 3.32Å; F130-F132 VanDerWaalsContact C-N 3.34Å; F130-F132 PolarHBondContact O-N 3Å; F132-T134 VanDerWaalsContact C-N 3.34Å; F132-T134 PolarHBondContact O-N 3.39Å; F132-A135 PolarHBondContact O-N 3.46Å; F132-E136 HydrophobicContact CD2-CG 4.5Å; F132-E136 HydrophobicContact CE2-CG 4.44Å; F132-E136 PolarHBondContact O-N 3.16Å; F132-M186 HydrophobicContact CB-SD 4.06Å; F132-M186 HydrophobicContact CD2-SD 4.42Å; F132-M186 HydrophobicContact CG-SD 4.18Å; F132-Y190 HydrophobicContact CE2-CD2 4.05Å; F132-Y190 HydrophobicContact CE2-CE2 4.45Å; F132-Y190 HydrophobicContact CZ-CD2 4.39Å; F132-Y190 HydrophobicContact CZ-CE2 4.36Å; F132-Y191 HydrophobicContact CD2-CE2 4.28Å; F132-Y191 WeakPolarHBondContact CD2-OH 3.36Å; F132-Y191 WeakPolarHBondContact CE2-OH 3.49Å
133V98.7Very high98Very high1 Ų19.8 Ų9.81%0.0065%0.05CC..Hα-helixtrans-60.1-44.3175.91780000111.2L66 L71 Y75 N78 Y80 V81 M129 F130 A135 E136 Y137L66-V133 HydrophobicContact CD2-CB 4.19Å; L66-V133 HydrophobicContact CD2-CG1 4.32Å; L66-V133 HydrophobicContact CD2-CG2 3.66Å; L71-V133 HydrophobicContact CD1-CG1 4.04Å; Y75-V133 HydrophobicContact CD2-CG1 4.21Å; Y75-V133 HydrophobicContact CE2-CG1 4.13Å; N78-V133 HydrophobicContact CB-CG1 4.09Å; Y80-V133 HydrophobicContact CD2-CG2 4.32Å; V81-V133 HydrophobicContact CG2-CB 4.33Å; V81-V133 HydrophobicContact CG2-CG1 3.73Å; M129-V133 WeakPolarHBondContact O-CG2 3.27Å; M129-V133 PolarHBondContact O-N 3.41Å; F130-V133 PolarHBondContact O-N 3.07Å; V133-A135 VanDerWaalsContact C-N 3.33Å; V133-A135 PolarHBondContact O-N 2.98Å; V133-E136 PolarHBondContact O-N 2.93Å; V133-Y137 WeakPolarHBondContact O-CB 3.41Å; V133-Y137 PolarHBondContact O-N 2.97Å
134T98.6Very high98.2Very high17 Ų1712.1 Ų12.110%0.1046%0.062CC..Hα-helixtrans-68.1-34.3-177.9-56.20000111.9Y75 M90 F130 Y131 F132 Y137 A138Y75-T134 HydrophobicContact CE2-CG2 4.49Å; Y75-T134 PolarHBondContact OH-OG1 3.39Å; M90-T134 HydrophobicContact CE-CG2 4.07Å; M90-T134 HydrophobicContact SD-CG2 4.14Å; F130-T134 VanDerWaalsContact CE2-OG1 3.31Å; F130-T134 WeakPolarHBondContact CE2-OG1 3.35Å; F130-T134 WeakPolarHBondContact CZ-OG1 3.39Å; F130-T134 VanDerWaalsContact O-CB 3.26Å; F130-T134 WeakPolarHBondContact O-CB 3.41Å; F130-T134 PolarHBondContact O-N 3.4Å; F130-T134 PolarHBondContact O-OG1 3.36Å; Y131-T134 PolarHBondContact O-N 2.85Å; F132-T134 VanDerWaalsContact C-N 3.34Å; F132-T134 PolarHBondContact O-N 3.39Å; T134-Y137 WeakPolarHBondContact O-CB 3.31Å; T134-Y137 PolarHBondContact O-N 2.98Å; T134-A138 WeakPolarHBondContact O-CB 3.33Å; T134-A138 PolarHBondContact O-N 3.06Å
135A98.6Very high98.3Very high14 Ų1412.1 Ų12.112%0.1166%0.061CC..Hα-helixtrans-72.8-36.8175.200000112.5Y131 F132 V133 A138 L139 L187 Y191Y131-A135 WeakPolarHBondContact O-CB 3.46Å; Y131-A135 PolarHBondContact O-N 3.15Å; F132-A135 PolarHBondContact O-N 3.46Å; V133-A135 VanDerWaalsContact C-N 3.33Å; V133-A135 PolarHBondContact O-N 2.98Å; A135-A138 PolarHBondContact O-N 2.86Å; A135-L139 WeakPolarHBondContact O-CB 3.21Å; A135-L139 PolarHBondContact O-N 3.2Å; A135-L187 HydrophobicContact CB-CD2 3.45Å; A135-L187 VanDerWaalsContact CB-CD2 3.45Å; A135-Y191 HydrophobicContact CB-CD1 4.21Å; A135-Y191 HydrophobicContact CB-CD2 3.57Å; A135-Y191 HydrophobicContact CB-CE1 3.9Å; A135-Y191 HydrophobicContact CB-CE2 3.22Å; A135-Y191 HydrophobicContact CB-CG 4.05Å
136E98.3Very high98.3Very high0 Ų011.9 Ų11.90%06%0.06CC..Hα-helixtrans-63-43.2168.9-76.2-60.2114.900112.2Y57 R61 L66 L71 F132 V133 A138 L139 K140 Y191Y57-E136 VanDerWaalsContact CE2-OE1 3.26Å; Y57-E136 WeakPolarHBondContact CE2-OE1 3.42Å; Y57-E136 PolarHBondContact OH-OE1 3.1Å; Y57-E136 PolarHBondContact OH-OE2 3.13Å; R61-E136 IonicContact CZ-OE2 2.94Å; R61-E136 IonicContact NE-OE2 3.57Å; R61-E136 PolarHBondContact NE-OE2 2.81Å; R61-E136 IonicContact NH2-OE2 3.97Å; L66-E136 HydrophobicContact CB-CB 4.3Å; L66-E136 HydrophobicContact CB-CG 3.72Å; L66-E136 HydrophobicContact CD1-CB 4.34Å; L66-E136 HydrophobicContact CD1-CG 3.52Å; L66-E136 HydrophobicContact CG-CG 4.12Å; L71-E136 HydrophobicContact CD2-CB 3.57Å; F132-E136 HydrophobicContact CD2-CG 4.5Å; F132-E136 HydrophobicContact CE2-CG 4.44Å; F132-E136 PolarHBondContact O-N 3.16Å; V133-E136 PolarHBondContact O-N 2.93Å; E136-A138 VanDerWaalsContact C-N 3.27Å; E136-A138 PolarHBondContact O-N 3.19Å; E136-L139 PolarHBondContact O-N 3.31Å; E136-K140 WeakPolarHBondContact O-CB 3.29Å; E136-K140 WeakPolarHBondContact O-CG 3.06Å; E136-K140 PolarHBondContact O-N 3.45Å; E136-Y191 VanDerWaalsContact CG-OH 3.31Å; E136-Y191 WeakPolarHBondContact CG-OH 3.39Å; E136-Y191 WeakPolarHBondContact OE1-CE1 3.22Å; E136-Y191 VanDerWaalsContact OE1-CZ 3.23Å; E136-Y191 PolarHBondContact OE1-OH 2.83Å
137Y98.4Very high98.4Very high7 Ų719.4 Ų19.43%0.0279%0.092CC..Hα-helixtrans-57-42.7173.9165.8-106.1000111.5I72 Y75 T92 P94 V133 T134 Q141I72-Y137 HydrophobicContact CG2-CE2 4.21Å; Y75-Y137 HydrophobicContact CD1-CD1 4.4Å; Y75-Y137 HydrophobicContact CD1-CD2 4.37Å; Y75-Y137 HydrophobicContact CD1-CE1 4.28Å; Y75-Y137 HydrophobicContact CD1-CE2 4.26Å; Y75-Y137 HydrophobicContact CD1-CG 4.43Å; Y75-Y137 HydrophobicContact CD2-CD1 4.07Å; Y75-Y137 AromaticContact CD2-CD2 3.78Å; Y75-Y137 HydrophobicContact CD2-CD2 3.78Å; Y75-Y137 HydrophobicContact CD2-CE2 4.46Å; Y75-Y137 AromaticContact CD2-CG 3.54Å; Y75-Y137 HydrophobicContact CD2-CG 3.54Å; Y75-Y137 HydrophobicContact CE1-CD1 4.45Å; Y75-Y137 HydrophobicContact CE1-CE1 4.43Å; Y75-Y137 HydrophobicContact CE2-CD1 4.1Å; Y75-Y137 AromaticContact CE2-CG 3.96Å; Y75-Y137 HydrophobicContact CE2-CG 3.96Å; Y75-Y137 HydrophobicContact CG-CD1 4.22Å; Y75-Y137 AromaticContact CG-CD2 3.65Å; Y75-Y137 HydrophobicContact CG-CD2 3.65Å; Y75-Y137 HydrophobicContact CG-CE1 4.43Å; Y75-Y137 AromaticContact CG-CE2 3.9Å; Y75-Y137 HydrophobicContact CG-CE2 3.9Å; Y75-Y137 AromaticContact CG-CG 3.81Å; Y75-Y137 HydrophobicContact CG-CG 3.81Å; T92-Y137 PolarHBondContact O-OH 3.42Å; P94-Y137 VanDerWaalsContact CA-OH 3.27Å; P94-Y137 WeakPolarHBondContact CA-OH 3.3Å; P94-Y137 HydrophobicContact CB-CE2 4.36Å; P94-Y137 WeakPolarHBondContact CB-OH 3.2Å; V133-Y137 WeakPolarHBondContact O-CB 3.41Å; V133-Y137 PolarHBondContact O-N 2.97Å; T134-Y137 WeakPolarHBondContact O-CB 3.31Å; T134-Y137 PolarHBondContact O-N 2.98Å; Y137-Q141 VanDerWaalsContact CD1-NE2 3.31Å; Y137-Q141 WeakPolarHBondContact O-CG 3.27Å; Y137-Q141 PolarHBondContact O-N 3.13Å; Y137-Q141 PolarHBondContact O-NE2 2.94Å
138A98.7Very high98.3Very high3 Ų326.6 Ų26.63%0.02512%0.119CC..Hα-helixtrans-68.6-46.8176.600000111.9I106 T134 A135 E136 K140 Q141 V142 L155I106-A138 HydrophobicContact CD1-CB 3.72Å; T134-A138 WeakPolarHBondContact O-CB 3.33Å; T134-A138 PolarHBondContact O-N 3.06Å; A135-A138 PolarHBondContact O-N 2.86Å; E136-A138 VanDerWaalsContact C-N 3.27Å; E136-A138 PolarHBondContact O-N 3.19Å; A138-K140 PolarHBondContact O-N 3.15Å; A138-Q141 PolarHBondContact O-N 3.31Å; A138-V142 WeakPolarHBondContact O-CG2 3.43Å; A138-V142 PolarHBondContact O-N 3Å; A138-L155 HydrophobicContact CB-CD1 3.79Å; A138-L155 HydrophobicContact CB-CD2 3.86Å; A138-L155 HydrophobicContact CB-CG 4.46Å
139L98.5Very high98.3Very high7 Ų729.1 Ų29.14%0.03713%0.134CC..Hα-helixtrans-59.6-44.7178.4175.861.5000111.8A135 E136 Q141 V142 L143 Y191 L194A135-L139 WeakPolarHBondContact O-CB 3.21Å; A135-L139 PolarHBondContact O-N 3.2Å; E136-L139 PolarHBondContact O-N 3.31Å; L139-Q141 VanDerWaalsContact C-N 3.29Å; L139-Q141 PolarHBondContact O-N 2.94Å; L139-V142 WeakPolarHBondContact O-CB 3.36Å; L139-V142 PolarHBondContact O-N 2.97Å; L139-V142 VanDerWaalsContact O-N 3.15Å; L139-L143 HydrophobicContact CD1-CD1 4.06Å; L139-L143 HydrophobicContact CD1-CD2 4.48Å; L139-L143 HydrophobicContact CD1-CG 4.02Å; L139-L143 HydrophobicContact CD2-CD1 4.49Å; L139-L143 HydrophobicContact CG-CD1 3.86Å; L139-L143 HydrophobicContact CG-CG 4.29Å; L139-L143 VanDerWaalsContact O-CG 3.31Å; L139-L143 WeakPolarHBondContact O-CG 3.41Å; L139-L143 PolarHBondContact O-N 3.35Å; L139-Y191 HydrophobicContact CB-CD1 4.23Å; L139-Y191 HydrophobicContact CB-CE1 4.16Å; L139-Y191 HydrophobicContact CD2-CD1 4.12Å; L139-Y191 HydrophobicContact CD2-CE1 3.93Å; L139-L194 HydrophobicContact CB-CD2 4.12Å; L139-L194 HydrophobicContact CD1-CD1 3.79Å; L139-L194 HydrophobicContact CD1-CD2 4.31Å
140K98.2Very high98.1Very high21 Ų2131.7 Ų31.79%0.09116%0.162CC..Hα-helixtrans-61.9-36.9178.5-75.8179.9-177.2-81.70112.2D29 L66 D68 L71 I72 E136 A138 L144D29-K140 IonicContact OD2-NZ 3.69Å; D29-K140 PolarHBondContact OD2-NZ 2.93Å; L66-K140 WeakPolarHBondContact O-CE 3.34Å; D68-K140 VanDerWaalsContact O-CE 3.28Å; D68-K140 WeakPolarHBondContact O-CE 3.17Å; D68-K140 PolarHBondContact O-NZ 3.46Å; D68-K140 VanDerWaalsContact O-NZ 3.09Å; L71-K140 HydrophobicContact CB-CD 3.93Å; L71-K140 HydrophobicContact CD2-CD 4.07Å; I72-K140 HydrophobicContact CD1-CB 3.99Å; I72-K140 HydrophobicContact CG1-CB 4.04Å; E136-K140 WeakPolarHBondContact O-CB 3.29Å; E136-K140 WeakPolarHBondContact O-CG 3.06Å; E136-K140 PolarHBondContact O-N 3.45Å; A138-K140 PolarHBondContact O-N 3.15Å; K140-L144 WeakPolarHBondContact O-CB 3.35Å; K140-L144 PolarHBondContact O-N 2.93Å
141Q98.6Very high98Very high2 Ų237.2 Ų37.21%0.00919%0.187CC..Hα-helixtrans-67-40.8174.1-70.2172.98400112.1I72 P94 M95 V104 Y137 A138 L139 L144 Q145I72-Q141 HydrophobicContact CD1-CG 3.78Å; I72-Q141 HydrophobicContact CG1-CG 4.04Å; I72-Q141 HydrophobicContact CG2-CG 4.32Å; P94-Q141 VanDerWaalsContact CA-OE1 3.22Å; M95-Q141 HydrophobicContact SD-CB 3.59Å; M95-Q141 VanDerWaalsContact SD-CB 3.59Å; M95-Q141 HydrophobicContact SD-CG 3.7Å; V104-Q141 HydrophobicContact CG1-CB 4.12Å; V104-Q141 HydrophobicContact CG2-CB 3.87Å; Y137-Q141 VanDerWaalsContact CD1-NE2 3.31Å; Y137-Q141 WeakPolarHBondContact O-CG 3.27Å; Y137-Q141 PolarHBondContact O-N 3.13Å; Y137-Q141 PolarHBondContact O-NE2 2.94Å; A138-Q141 PolarHBondContact O-N 3.31Å; L139-Q141 VanDerWaalsContact C-N 3.29Å; L139-Q141 PolarHBondContact O-N 2.94Å; Q141-L144 PolarHBondContact O-N 3.45Å; Q141-Q145 WeakPolarHBondContact O-CB 3.34Å; Q141-Q145 PolarHBondContact O-N 2.92Å
142V98.8Very high97.9Very high0 Ų038.4 Ų38.40%020%0.202CC..Hα-helixtrans-61.1-49.5174.7170.20000110.9V104 A138 L139 L144 Q145 E146 G154 L155 L194V104-V142 HydrophobicContact CB-CG2 4.4Å; V104-V142 HydrophobicContact CG2-CG2 4.06Å; A138-V142 WeakPolarHBondContact O-CG2 3.43Å; A138-V142 PolarHBondContact O-N 3Å; L139-V142 WeakPolarHBondContact O-CB 3.36Å; L139-V142 PolarHBondContact O-N 2.97Å; L139-V142 VanDerWaalsContact O-N 3.15Å; V142-L144 VanDerWaalsContact C-N 3.27Å; V142-L144 PolarHBondContact O-N 2.67Å; V142-Q145 PolarHBondContact O-N 2.57Å; V142-E146 HydrophobicContact CG1-CG 4.44Å; V142-E146 WeakPolarHBondContact O-CG 3.5Å; V142-E146 PolarHBondContact O-N 3.05Å; V142-G154 WeakPolarHBondContact CG2-O 3.49Å; V142-L155 HydrophobicContact CG2-CD2 3.62Å; V142-L155 HydrophobicContact CG2-CG 4.12Å; V142-L194 HydrophobicContact CB-CD1 4.04Å; V142-L194 HydrophobicContact CG1-CD1 3.81Å; V142-L194 HydrophobicContact CG2-CD1 3.96Å
143L98.2Very high97.9Very high16 Ų1638.3 Ų38.38%0.08420%0.202CC..Hα-helixtrans-60.2-38177.5-67.1168.5000111.7M30 N35 L139 K147M30-L143 HydrophobicContact CG-CD1 4.08Å; N35-L143 HydrophobicContact CB-CD2 4.2Å; L139-L143 HydrophobicContact CD1-CD1 4.06Å; L139-L143 HydrophobicContact CD1-CD2 4.48Å; L139-L143 HydrophobicContact CD1-CG 4.02Å; L139-L143 HydrophobicContact CD2-CD1 4.49Å; L139-L143 HydrophobicContact CG-CD1 3.86Å; L139-L143 HydrophobicContact CG-CG 4.29Å; L139-L143 VanDerWaalsContact O-CG 3.31Å; L139-L143 WeakPolarHBondContact O-CG 3.41Å; L139-L143 PolarHBondContact O-N 3.35Å; L143-K147 WeakPolarHBondContact O-CB 3.42Å; L143-K147 PolarHBondContact O-N 2.82Å
144L97.9Very high97.9Very high55 Ų5538.3 Ų38.329%0.28820%0.202SC..Hα-helixtrans-65.4-40.4174.3-178.260000111.8I72 M95 K140 Q141 V142 K147 R148I72-L144 HydrophobicContact CD1-CD2 4.26Å; M95-L144 HydrophobicContact CE-CB 4.33Å; M95-L144 HydrophobicContact CE-CD2 4.04Å; M95-L144 HydrophobicContact CE-CG 4.1Å; M95-L144 HydrophobicContact SD-CD2 4.01Å; K140-L144 WeakPolarHBondContact O-CB 3.35Å; K140-L144 PolarHBondContact O-N 2.93Å; Q141-L144 PolarHBondContact O-N 3.45Å; V142-L144 VanDerWaalsContact C-N 3.27Å; V142-L144 PolarHBondContact O-N 2.67Å; L144-K147 PolarHBondContact O-N 3.01Å; L144-R148 VanDerWaalsContact O-CG 3.3Å; L144-R148 WeakPolarHBondContact O-CG 3.42Å; L144-R148 PolarHBondContact O-N 3.14Å
145Q98.5Very high97.9Very high16 Ų1638.1 Ų38.18%0.07520%0.2CC..Hα-helixtrans-68.5-41.2177.4-174.159.510.600112.3M95 I97 N102 Q141 V142 K147 R148 T149M95-Q145 HydrophobicContact CE-CB 4.16Å; I97-Q145 HydrophobicContact CD1-CB 4.4Å; I97-Q145 HydrophobicContact CD1-CG 4.07Å; N102-Q145 WeakPolarHBondContact OD1-CG 3.16Å; N102-Q145 PolarHBondContact OD1-NE2 3.33Å; Q141-Q145 WeakPolarHBondContact O-CB 3.34Å; Q141-Q145 PolarHBondContact O-N 2.92Å; V142-Q145 PolarHBondContact O-N 2.57Å; Q145-K147 VanDerWaalsContact C-N 3.31Å; Q145-K147 PolarHBondContact O-N 2.8Å; Q145-R148 PolarHBondContact O-N 3.06Å; Q145-T149 VanDerWaalsContact NE2-CG2 3.26Å; Q145-T149 PolarHBondContact O-N 2.73Å; Q145-T149 PolarHBondContact O-OG1 3.45Å
146E98.3Very high97.9Very high5 Ų537.5 Ų37.52%0.02320%0.195CC..Hα-helixtrans-57-47.1172.1-70.6172.1172.500110.3H34 R38 V142 R148 T149 G150 Q151H34-E146 VanDerWaalsContact CB-CD 3.46Å; H34-E146 HydrophobicContact CB-CG 4.39Å; H34-E146 WeakPolarHBondContact CB-OE1 3.39Å; H34-E146 WeakPolarHBondContact CB-OE2 3.37Å; R38-E146 IonicContact CZ-OE1 2.77Å; R38-E146 IonicContact NE-OE1 3.71Å; R38-E146 PolarHBondContact NE-OE1 3.06Å; R38-E146 VanDerWaalsContact NH2-CD 3.35Å; R38-E146 IonicContact NH2-OE1 2.71Å; R38-E146 PolarHBondContact NH2-OE1 3.25Å; R38-E146 IonicContact NH2-OE2 3.93Å; R38-E146 PolarHBondContact NH2-OE2 3.23Å; V142-E146 HydrophobicContact CG1-CG 4.44Å; V142-E146 WeakPolarHBondContact O-CG 3.5Å; V142-E146 PolarHBondContact O-N 3.05Å; E146-R148 VanDerWaalsContact C-N 3.34Å; E146-R148 PolarHBondContact O-N 2.83Å; E146-T149 PolarHBondContact O-N 2.77Å; E146-G150 WeakPolarHBondContact O-CA 3.3Å; E146-G150 PolarHBondContact O-N 2.88Å; E146-Q151 WeakPolarHBondContact CA-O 3.46Å
147K96.6Very high98Very high180 Ų18039 Ų3978%0.78320%0.203SC*.Hα-helixtrans-62.3-38.6177.4-176.5176.7179.7177.50113L143 L144 Q145L143-K147 WeakPolarHBondContact O-CB 3.42Å; L143-K147 PolarHBondContact O-N 2.82Å; L144-K147 PolarHBondContact O-N 3.01Å; Q145-K147 VanDerWaalsContact C-N 3.31Å; Q145-K147 PolarHBondContact O-N 2.8Å
148R97.5Very high98Very high157 Ų15738.7 Ų38.759%0.59220%0.202SC*.Hα-helixtrans-69.6-37.9179.8-77.8174.1179.1-178.70.5112.7L144 Q145 E146L144-R148 VanDerWaalsContact O-CG 3.3Å; L144-R148 WeakPolarHBondContact O-CG 3.42Å; L144-R148 PolarHBondContact O-N 3.14Å; Q145-R148 PolarHBondContact O-N 3.06Å; E146-R148 VanDerWaalsContact C-N 3.34Å; E146-R148 PolarHBondContact O-N 2.83Å
149T97.5Very high97.9Very high53 Ų5341.5 Ų41.533%0.32521%0.212SC..Hα-helixtrans-101.6-19.8-17157.10000113.9N102 Q145 E146 Q151N102-T149 PolarHBondContact ND2-OG1 2.85Å; N102-T149 WeakPolarHBondContact OD1-CG2 3.27Å; Q145-T149 VanDerWaalsContact NE2-CG2 3.26Å; Q145-T149 PolarHBondContact O-N 2.73Å; Q145-T149 PolarHBondContact O-OG1 3.45Å; E146-T149 PolarHBondContact O-N 2.77Å; T149-Q151 PolarHBondContact O-N 3.48Å; T149-Q151 PolarHBondContact OG1-N 3.38Å
150G94.6Very high97.9Very high57 Ų5741.3 Ų41.359%0.58821%0.211SC*.SBendtrans66.217.9-170.900000113.2E146E146-G150 WeakPolarHBondContact O-CA 3.3Å; E146-G150 PolarHBondContact O-N 2.88Å
151Q96.3Very high97.7Very high122 Ų12241.4 Ų41.457%0.5721%0.212SC*.SBendtrans-124.7158.4-178.2-62.4-177.822.100110E146 T149E146-Q151 WeakPolarHBondContact CA-O 3.46Å; T149-Q151 PolarHBondContact O-N 3.48Å; T149-Q151 PolarHBondContact OG1-N 3.38Å
152S96.9Very high97.5Very high71 Ų7146.2 Ų46.250%0.49724%0.238SC..  trans-57.7141.4171.4-164.50000110.6N102N102-S152 PolarHBondContact ND2-O 3.26Å
153S98.6Very high97.2Very high1 Ų148.5 Ų48.51%0.00726%0.261CS..  trans-128.5-173.7172.4-174.60000108.8N102N102-S153 VanDerWaalsContact O-CB 3.29Å; N102-S153 WeakPolarHBondContact O-CB 3.31Å; N102-S153 PolarHBondContact O-OG 3.47Å
154G98.6Very high96.9Very high0 Ų048.6 Ų48.60%026%0.261CS..  trans175.4-159.7-179.600000110.5T103 V104 V142 L194T103-G154 CarbonylContact C-O 3.58Å; T103-G154 VanDerWaalsContact CA-O 3.29Å; T103-G154 WeakPolarHBondContact CA-O 3.5Å; T103-G154 VanDerWaalsContact CB-O 3.24Å; T103-G154 WeakPolarHBondContact CB-O 3.49Å; V104-G154 PolarHBondContact N-O 3.3Å; V142-G154 WeakPolarHBondContact CG2-O 3.49Å; G154-L194 CarbonylContact C-O 3.58Å; G154-L194 WeakPolarHBondContact CA-O 3.35Å
155L98.8Very high96.4Very high14 Ų1451.5 Ų51.57%0.07327%0.273CS..EExtended strand (participates in β ladder)trans-111.6135.4-178.7-60.5176.2000111.9V104 I106 A138 V142 L157 L194 L195 N196 G197V104-L155 HydrophobicContact CB-CD2 3.99Å; V104-L155 HydrophobicContact CG1-CD2 4.5Å; V104-L155 WeakPolarHBondContact O-CA 3.42Å; I106-L155 HydrophobicContact CD1-CD2 4.42Å; A138-L155 HydrophobicContact CB-CD1 3.79Å; A138-L155 HydrophobicContact CB-CD2 3.86Å; A138-L155 HydrophobicContact CB-CG 4.46Å; V142-L155 HydrophobicContact CG2-CD2 3.62Å; V142-L155 HydrophobicContact CG2-CG 4.12Å; L155-L157 HydrophobicContact CB-CD2 4.27Å; L155-L157 HydrophobicContact CB-CG 4.36Å; L155-L194 HydrophobicContact CD1-CD2 3.7Å; L155-L194 HydrophobicContact CD1-CG 3.84Å; L155-L194 HydrophobicContact CG-CD2 4.27Å; L155-L194 HydrophobicContact CG-CG 3.96Å; L155-L194 PolarHBondContact N-O 3.04Å; L155-L195 HydrophobicContact CB-CD1 4.41Å; L155-N196 PolarHBondContact O-N 3.32Å; L155-G197 PolarHBondContact O-N 3.02Å
156T98.8Very high95.6Very high0 Ų051.8 Ų51.80%028%0.276CS..EExtended strand (participates in β ladder)trans-103.7110.1159.3-78.80000107.9T103 V104 V105 I106 I158 G197 Y199 I242T103-T156 WeakPolarHBondContact OG1-CB 3.49Å; T103-T156 PolarHBondContact OG1-OG1 3.45Å; V104-T156 PolarHBondContact O-N 3.35Å; V105-T156 VanDerWaalsContact CA-O 3.31Å; V105-T156 WeakPolarHBondContact CA-O 3.43Å; V105-T156 HydrophobicContact CG1-CG2 4.4Å; V105-T156 HydrophobicContact CG2-CG2 4.04Å; I106-T156 PolarHBondContact N-O 3.44Å; T156-I158 HydrophobicContact CG2-CG1 4.39Å; T156-G197 WeakPolarHBondContact CA-O 3.41Å; T156-Y199 HydrophobicContact CG2-CD2 3.88Å; T156-Y199 HydrophobicContact CG2-CE2 3.76Å; T156-I242 HydrophobicContact CG2-CD1 3.62Å; T156-I242 HydrophobicContact CG2-CG1 4.06Å
157L98.8Very high95Very high32 Ų3259.9 Ų59.917%0.16831%0.311CS..EExtended strand (participates in β ladder)trans-99.8124.7177.6-61.7-174.7000109.9I106 L155 Y159 L195 G197 L198 Y199I106-L157 HydrophobicContact CB-CD2 3.78Å; I106-L157 HydrophobicContact CD1-CD2 4.42Å; I106-L157 HydrophobicContact CG1-CD2 4.44Å; I106-L157 HydrophobicContact CG2-CD2 4.5Å; I106-L157 WeakPolarHBondContact O-CA 3.46Å; L155-L157 HydrophobicContact CB-CD2 4.27Å; L155-L157 HydrophobicContact CB-CG 4.36Å; L157-Y159 HydrophobicContact CB-CD2 4.28Å; L157-Y159 HydrophobicContact CB-CE2 4.07Å; L157-Y159 HydrophobicContact CD1-CE2 4.24Å; L157-L195 HydrophobicContact CB-CD1 4.04Å; L157-L195 HydrophobicContact CD1-CD1 3.67Å; L157-L195 HydrophobicContact CG-CD1 3.57Å; L157-G197 PolarHBondContact N-O 2.99Å; L157-L198 HydrophobicContact CB-CD1 3.99Å; L157-L198 CarbonylContact O-C 3.46Å; L157-L198 WeakPolarHBondContact O-CA 3.48Å; L157-Y199 PolarHBondContact O-N 3.12Å
158I98.7Very high94.2Very high0 Ų052.9 Ų52.90%028%0.282CS..EExtended strand (participates in β ladder)trans-107.1122.5172.6-55.8177.1000108V105 I106 V107 N108 T156 Y199 L201 I242 L247 Y251V105-I158 HydrophobicContact CG1-CD1 4.02Å; V105-I158 HydrophobicContact CG1-CG1 4.41Å; I106-I158 PolarHBondContact O-N 3.08Å; V107-I158 CarbonylContact C-O 3.6Å; V107-I158 WeakPolarHBondContact CA-O 3.39Å; V107-I158 HydrophobicContact CG1-CB 4.34Å; V107-I158 HydrophobicContact CG1-CG2 4.4Å; V107-I158 HydrophobicContact CG2-CB 4.32Å; V107-I158 HydrophobicContact CG2-CD1 4.26Å; N108-I158 PolarHBondContact N-O 2.92Å; T156-I158 HydrophobicContact CG2-CG1 4.39Å; I158-Y199 CarbonylContact C-O 3.54Å; I158-Y199 WeakPolarHBondContact CA-O 3.46Å; I158-L201 HydrophobicContact CG2-CD1 3.54Å; I158-L201 HydrophobicContact CG2-CG 3.89Å; I158-I242 HydrophobicContact CD1-CD1 3.71Å; I158-I242 HydrophobicContact CG1-CD1 3.98Å; I158-L247 HydrophobicContact CD1-CD1 3.61Å; I158-Y251 HydrophobicContact CG2-CD2 4.4Å; I158-Y251 HydrophobicContact CG2-CE2 4.29Å
159Y97.9Very high93.6Very high62 Ų6246.3 Ų46.324%0.24326%0.257CS..EExtended strand (participates in β ladder)trans-115.9112.6173.8-83.2-100.1000110.1N108 L110 L157 L198 Y199 V200 L201N108-Y159 HydrophobicContact CB-CD1 3.71Å; N108-Y159 HydrophobicContact CB-CD2 4.46Å; N108-Y159 HydrophobicContact CB-CE1 3.64Å; N108-Y159 HydrophobicContact CB-CE2 4.41Å; N108-Y159 HydrophobicContact CB-CG 4.15Å; N108-Y159 CarbonylContact O-C 3.51Å; N108-Y159 WeakPolarHBondContact O-CA 3.41Å; L110-Y159 HydrophobicContact CD1-CD1 4.02Å; L110-Y159 HydrophobicContact CD2-CD1 3.99Å; L110-Y159 HydrophobicContact CD2-CE1 4.14Å; L110-Y159 HydrophobicContact CG-CD1 4.08Å; L157-Y159 HydrophobicContact CB-CD2 4.28Å; L157-Y159 HydrophobicContact CB-CE2 4.07Å; L157-Y159 HydrophobicContact CD1-CE2 4.24Å; Y159-L198 HydrophobicContact CD2-CD1 3.39Å; Y159-L198 HydrophobicContact CE2-CD1 3.86Å; Y159-L198 HydrophobicContact CG-CD1 4.31Å; Y159-Y199 PolarHBondContact N-O 2.77Å; Y159-V200 CarbonylContact O-C 3.16Å; Y159-V200 WeakPolarHBondContact O-CA 3.39Å; Y159-L201 PolarHBondContact O-N 3.11Å
160D97Very high93Very high4 Ų448.2 Ų48.22%0.02127%0.265CS..EExtended strand (participates in β ladder)trans-91.9117.5173.2175.519.2000110.4N108 Q109 L110 N162 N202 Y251N108-D160 PolarHBondContact O-N 3.39Å; Q109-D160 HydrophobicContact CB-CB 4.46Å; Q109-D160 HydrophobicContact CG-CB 4.08Å; Q109-D160 PolarHBondContact NE2-OD2 3.33Å; L110-D160 PolarHBondContact N-O 2.68Å; D160-N162 VanDerWaalsContact OD1-CB 3.22Å; D160-N162 WeakPolarHBondContact OD1-CB 3.21Å; D160-N162 PolarHBondContact OD1-N 3.26Å; D160-N202 WeakPolarHBondContact OD1-CB 3.19Å; D160-N202 PolarHBondContact OD1-ND2 3.09Å; D160-Y251 HydrophobicContact CB-CE1 4.1Å; D160-Y251 VanDerWaalsContact CB-OH 3.25Å; D160-Y251 WeakPolarHBondContact CB-OH 3.26Å; D160-Y251 PolarHBondContact OD2-OH 2.91Å; D160-Y251 VanDerWaalsContact OD2-OH 3.12Å
161F95.4Very high92.8Very high22 Ų2249.2 Ų49.210%0.09626%0.257CS..  trans-94.44.6-179.5-80.6-104000113.4L110 G163 F164 V200 L201 N202 A203 V206 V210L110-F161 HydrophobicContact CD1-CD1 3.75Å; L110-F161 HydrophobicContact CD1-CD2 4.02Å; L110-F161 HydrophobicContact CD1-CE1 3.35Å; L110-F161 HydrophobicContact CD1-CE2 3.68Å; L110-F161 HydrophobicContact CD1-CG 4.07Å; L110-F161 HydrophobicContact CD1-CZ 3.33Å; F161-G163 PolarHBondContact O-N 3.18Å; F161-G163 VanDerWaalsContact O-N 3.14Å; F161-F164 HydrophobicContact CB-CB 4.31Å; F161-F164 HydrophobicContact CD1-CB 4.01Å; F161-F164 AromaticContact CD1-CD1 3.48Å; F161-F164 HydrophobicContact CD1-CD1 3.48Å; F161-F164 VanDerWaalsContact CD1-CD1 3.48Å; F161-F164 HydrophobicContact CD1-CE1 4.07Å; F161-F164 AromaticContact CD1-CG 3.86Å; F161-F164 HydrophobicContact CD1-CG 3.86Å; F161-F164 AromaticContact CE1-CD1 3.8Å; F161-F164 HydrophobicContact CE1-CD1 3.8Å; F161-F164 AromaticContact CE1-CE1 3.89Å; F161-F164 HydrophobicContact CE1-CE1 3.89Å; F161-F164 HydrophobicContact CE1-CG 4.35Å; F161-F164 WeakPolarHBondContact O-CB 3.45Å; F161-F164 PolarHBondContact O-N 2.93Å; F161-V200 HydrophobicContact CD2-CG1 3.63Å; F161-V200 HydrophobicContact CE2-CB 4.42Å; F161-V200 HydrophobicContact CE2-CG1 3.71Å; F161-V200 HydrophobicContact CE2-CG2 4.03Å; F161-V200 HydrophobicContact CG-CG1 4.47Å; F161-L201 WeakPolarHBondContact CB-O 3.47Å; F161-L201 PolarHBondContact N-O 2.81Å; F161-N202 CarbonylContact C-O 3.42Å; F161-A203 HydrophobicContact CB-CB 4.29Å; F161-V206 HydrophobicContact CD1-CG2 4.49Å; F161-V210 HydrophobicContact CD1-CG2 3.42Å; F161-V210 VanDerWaalsContact CD1-CG2 3.42Å; F161-V210 HydrophobicContact CE1-CB 4.17Å; F161-V210 HydrophobicContact CE1-CG1 3.82Å; F161-V210 HydrophobicContact CE1-CG2 3.25Å; F161-V210 HydrophobicContact CE2-CG1 4.12Å; F161-V210 HydrophobicContact CG-CG2 4.23Å; F161-V210 HydrophobicContact CZ-CB 4.42Å; F161-V210 HydrophobicContact CZ-CG1 3.57Å; F161-V210 HydrophobicContact CZ-CG2 3.93Å
162N93.6Very high92.3Very high104 Ų10447.3 Ų47.356%0.55626%0.255SS*.THydrogen-bonded Turntrans-56.7123.3176.4-175.330.2000110.3G111 D160 F164 N202G111-N162 WeakPolarHBondContact CA-O 3.38Å; G111-N162 PolarHBondContact N-O 3.43Å; D160-N162 VanDerWaalsContact OD1-CB 3.22Å; D160-N162 WeakPolarHBondContact OD1-CB 3.21Å; D160-N162 PolarHBondContact OD1-N 3.26Å; N162-F164 VanDerWaalsContact C-N 3.29Å; N162-F164 PolarHBondContact O-N 3.04Å; N162-N202 HydrophobicContact CB-CB 3.76Å
163G91.9Very high91.9Very high48 Ų4852.5 Ų52.550%0.49527%0.265SS..THydrogen-bonded Turntrans73.610.5-177.500000115.5G111 F161 Q165G111-G163 VanDerWaalsContact CA-C 3.44Å; G111-G163 WeakPolarHBondContact CA-O 3.45Å; F161-G163 PolarHBondContact O-N 3.18Å; F161-G163 VanDerWaalsContact O-N 3.14Å; G163-Q165 PolarHBondContact O-N 3.34Å
164F92.8Very high91.7Very high18 Ų1852.7 Ų52.78%0.07927%0.267CS..  trans-66122.3176.5178.1-124000111.6L110 Y115 F161 N162 V166 Y169 V206L110-F164 HydrophobicContact CB-CB 4.13Å; L110-F164 HydrophobicContact CB-CD2 3.62Å; L110-F164 HydrophobicContact CB-CE2 4.3Å; L110-F164 HydrophobicContact CB-CG 4.09Å; L110-F164 HydrophobicContact CD1-CD2 4.31Å; L110-F164 HydrophobicContact CD1-CE2 4.44Å; Y115-F164 HydrophobicContact CD2-CD2 4.42Å; Y115-F164 HydrophobicContact CD2-CE2 4.07Å; Y115-F164 AromaticContact CE2-CD2 3.72Å; Y115-F164 HydrophobicContact CE2-CD2 3.72Å; Y115-F164 AromaticContact CE2-CE2 3.59Å; Y115-F164 HydrophobicContact CE2-CE2 3.59Å; F161-F164 HydrophobicContact CB-CB 4.31Å; F161-F164 HydrophobicContact CD1-CB 4.01Å; F161-F164 AromaticContact CD1-CD1 3.48Å; F161-F164 HydrophobicContact CD1-CD1 3.48Å; F161-F164 VanDerWaalsContact CD1-CD1 3.48Å; F161-F164 HydrophobicContact CD1-CE1 4.07Å; F161-F164 AromaticContact CD1-CG 3.86Å; F161-F164 HydrophobicContact CD1-CG 3.86Å; F161-F164 AromaticContact CE1-CD1 3.8Å; F161-F164 HydrophobicContact CE1-CD1 3.8Å; F161-F164 AromaticContact CE1-CE1 3.89Å; F161-F164 HydrophobicContact CE1-CE1 3.89Å; F161-F164 HydrophobicContact CE1-CG 4.35Å; F161-F164 WeakPolarHBondContact O-CB 3.45Å; F161-F164 PolarHBondContact O-N 2.93Å; N162-F164 VanDerWaalsContact C-N 3.29Å; N162-F164 PolarHBondContact O-N 3.04Å; F164-V166 HydrophobicContact CD1-CB 4.04Å; F164-V166 HydrophobicContact CD1-CG2 4.25Å; F164-V166 HydrophobicContact CE1-CB 3.79Å; F164-V166 HydrophobicContact CE1-CG2 3.58Å; F164-V166 HydrophobicContact CZ-CG2 4.32Å; F164-V166 PolarHBondContact O-N 2.96Å; F164-Y169 AromaticContact CE2-CD2 3.69Å; F164-Y169 HydrophobicContact CE2-CD2 3.69Å; F164-Y169 AromaticContact CE2-CE2 3.64Å; F164-Y169 HydrophobicContact CE2-CE2 3.64Å; F164-Y169 HydrophobicContact CE2-CG 4.45Å; F164-Y169 HydrophobicContact CZ-CD1 4.41Å; F164-Y169 AromaticContact CZ-CD2 3.4Å; F164-Y169 HydrophobicContact CZ-CD2 3.4Å; F164-Y169 VanDerWaalsContact CZ-CD2 3.4Å; F164-Y169 AromaticContact CZ-CE2 3.78Å; F164-Y169 HydrophobicContact CZ-CE2 3.78Å; F164-Y169 AromaticContact CZ-CG 3.75Å; F164-Y169 HydrophobicContact CZ-CG 3.75Å; F164-V206 HydrophobicContact CD1-CG2 4.21Å
165Q86.6Confident91.5Very high116 Ų11653.7 Ų53.754%0.54227%0.273SS..  trans-93.197.6177.8-65.9-175.184.900110.3G163 K167G163-Q165 PolarHBondContact O-N 3.34Å; Q165-K167 VanDerWaalsContact C-N 3.32Å; Q165-K167 PolarHBondContact O-N 2.68Å
166V83.3Confident91.4Very high21 Ų2153.2 Ų53.213%0.12727%0.27CS..THydrogen-bonded Turntrans-78.8-8.4-167.474.70000115.4F164 D168 Y169 L170 V206 T209 I213F164-V166 HydrophobicContact CD1-CB 4.04Å; F164-V166 HydrophobicContact CD1-CG2 4.25Å; F164-V166 HydrophobicContact CE1-CB 3.79Å; F164-V166 HydrophobicContact CE1-CG2 3.58Å; F164-V166 HydrophobicContact CZ-CG2 4.32Å; F164-V166 PolarHBondContact O-N 2.96Å; V166-D168 PolarHBondContact O-N 3.38Å; V166-Y169 WeakPolarHBondContact O-CA 3.48Å; V166-Y169 PolarHBondContact O-N 2.92Å; V166-L170 HydrophobicContact CG1-CD1 4.04Å; V166-L170 HydrophobicContact CG1-CG 4.45Å; V166-L170 HydrophobicContact CG2-CG 4.31Å; V166-L170 PolarHBondContact O-N 3.02Å; V166-V206 HydrophobicContact CB-CB 4.43Å; V166-V206 HydrophobicContact CB-CG1 4.05Å; V166-V206 HydrophobicContact CG1-CB 4.41Å; V166-V206 HydrophobicContact CG1-CG1 3.76Å; V166-T209 HydrophobicContact CB-CG2 4.47Å; V166-T209 HydrophobicContact CG2-CG2 3.25Å; V166-I213 HydrophobicContact CG2-CD1 4.29Å
167K84.9Confident91.2Very high176 Ų17654 Ų5477%0.76527%0.274SS*.Hα-helixtrans-53.8-47.4-169.1-173.5-179.8177.7-178.70113.3Q165 Y169 L170Q165-K167 VanDerWaalsContact C-N 3.32Å; Q165-K167 PolarHBondContact O-N 2.68Å; K167-Y169 VanDerWaalsContact C-N 3.34Å; K167-L170 PolarHBondContact O-N 3.14Å
168D80Confident91Very high33 Ų3354.1 Ų54.118%0.17627%0.274CS..Hα-helixtrans-70.6-32179.1-63.2-81.5000112.2H116 V166 L170 N171 S174 I176H116-D168 WeakPolarHBondContact CB-OD2 3.3Å; H116-D168 IonicContact CG-OD1 3.32Å; H116-D168 IonicContact ND1-OD1 2.78Å; H116-D168 PolarHBondContact ND1-OD1 2.8Å; H116-D168 VanDerWaalsContact ND1-OD1 3.08Å; V166-D168 PolarHBondContact O-N 3.38Å; D168-L170 VanDerWaalsContact C-N 3.29Å; D168-L170 PolarHBondContact O-N 3.17Å; D168-N171 PolarHBondContact O-N 3.34Å; D168-S174 WeakPolarHBondContact O-CB 3.42Å; D168-S174 PolarHBondContact O-OG 3.48Å; D168-I176 HydrophobicContact CB-CG2 3.61Å
169Y85.9Confident90.9Very high19 Ų1954.4 Ų54.48%0.07528%0.276CS..Hα-helixtrans-72.9-20.7178.1-79.1-92.3000113.6Y115 F164 V166 K167 N171 I176 M177 F180Y115-Y169 AromaticContact CD1-CE2 3.83Å; Y115-Y169 HydrophobicContact CD1-CE2 3.83Å; Y115-Y169 AromaticContact CD2-CE2 3.79Å; Y115-Y169 HydrophobicContact CD2-CE2 3.79Å; Y115-Y169 HydrophobicContact CE1-CE2 4.18Å; Y115-Y169 WeakPolarHBondContact CE1-OH 3.33Å; Y115-Y169 HydrophobicContact CE2-CE2 4.15Å; Y115-Y169 AromaticContact CG-CE2 3.61Å; Y115-Y169 HydrophobicContact CG-CE2 3.61Å; F164-Y169 AromaticContact CE2-CD2 3.69Å; F164-Y169 HydrophobicContact CE2-CD2 3.69Å; F164-Y169 AromaticContact CE2-CE2 3.64Å; F164-Y169 HydrophobicContact CE2-CE2 3.64Å; F164-Y169 HydrophobicContact CE2-CG 4.45Å; F164-Y169 HydrophobicContact CZ-CD1 4.41Å; F164-Y169 AromaticContact CZ-CD2 3.4Å; F164-Y169 HydrophobicContact CZ-CD2 3.4Å; F164-Y169 VanDerWaalsContact CZ-CD2 3.4Å; F164-Y169 AromaticContact CZ-CE2 3.78Å; F164-Y169 HydrophobicContact CZ-CE2 3.78Å; F164-Y169 AromaticContact CZ-CG 3.75Å; F164-Y169 HydrophobicContact CZ-CG 3.75Å; V166-Y169 WeakPolarHBondContact O-CA 3.48Å; V166-Y169 PolarHBondContact O-N 2.92Å; K167-Y169 VanDerWaalsContact C-N 3.34Å; Y169-N171 VanDerWaalsContact C-N 3.34Å; Y169-I176 HydrophobicContact CD2-CG2 4.34Å; Y169-I176 HydrophobicContact CE1-CG1 4.29Å; Y169-I176 HydrophobicContact CE2-CG1 3.9Å; Y169-I176 HydrophobicContact CE2-CG2 4.22Å; Y169-I176 WeakPolarHBondContact OH-CG1 3.26Å; Y169-M177 HydrophobicContact CD1-SD 3.74Å; Y169-F180 HydrophobicContact CD1-CD1 4.49Å; Y169-F180 HydrophobicContact CE1-CB 4.03Å; Y169-F180 HydrophobicContact CE1-CD1 4.1Å; Y169-F180 HydrophobicContact CE1-CD2 4.5Å; Y169-F180 AromaticContact CE1-CG 3.95Å; Y169-F180 HydrophobicContact CE1-CG 3.95Å
170L85Confident90.8Very high93 Ų9353.9 Ų53.949%0.48728%0.275SS..Hα-helixtrans-71.8-27.8174.4-81.5170000113.2V166 K167 D168 P172 T209V166-L170 HydrophobicContact CG1-CD1 4.04Å; V166-L170 HydrophobicContact CG1-CG 4.45Å; V166-L170 HydrophobicContact CG2-CG 4.31Å; V166-L170 PolarHBondContact O-N 3.02Å; K167-L170 PolarHBondContact O-N 3.14Å; D168-L170 VanDerWaalsContact C-N 3.29Å; D168-L170 PolarHBondContact O-N 3.17Å; L170-P172 VanDerWaalsContact O-CD 3.3Å; L170-P172 WeakPolarHBondContact O-CD 3.43Å; L170-T209 HydrophobicContact CD2-CG2 3.26Å; L170-T209 HydrophobicContact CG-CG2 3.77Å
171N89.5Confident90.8Very high78 Ų7855.1 Ų55.142%0.41729%0.286SS..  trans-88.2110.5176.9178.91.6000109.4D168 Y169 Y173 S174 M177D168-N171 PolarHBondContact O-N 3.34Å; Y169-N171 VanDerWaalsContact C-N 3.34Å; N171-Y173 PolarHBondContact O-N 3.39Å; N171-Y173 WeakPolarHBondContact OD1-CB 3.37Å; N171-Y173 PolarHBondContact OD1-N 2.9Å; N171-S174 WeakPolarHBondContact O-CB 3.15Å; N171-S174 PolarHBondContact O-N 3.25Å; N171-S174 PolarHBondContact O-OG 3.04Å; N171-M177 WeakPolarHBondContact O-CB 3.37Å
172P86.1Confident90.8Very high82 Ų8254.8 Ų54.853%0.53229%0.285SS..THydrogen-bonded Turntrans-62.5-17.8179.926.4-34.9000113.4L170 Q178L170-P172 VanDerWaalsContact O-CD 3.3Å; L170-P172 WeakPolarHBondContact O-CD 3.43Å; P172-Q178 WeakPolarHBondContact O-CG 3.35Å
173Y88.8Confident91.1Very high179 Ų17949.8 Ų49.870%0.70226%0.258SS*.THydrogen-bonded Turntrans-94.9-1.6176.5-55.7-76000113.4N171 Q178N171-Y173 PolarHBondContact O-N 3.39Å; N171-Y173 WeakPolarHBondContact OD1-CB 3.37Å; N171-Y173 PolarHBondContact OD1-N 2.9Å; Y173-Q178 PolarHBondContact O-NE2 3.49Å
174S94Very high91.3Very high6 Ų648 Ų484%0.04224%0.239CC..SBendtrans-64.6148.1175.378.90000110.8D168 N171 I176 M177 Q178D168-S174 WeakPolarHBondContact O-CB 3.42Å; D168-S174 PolarHBondContact O-OG 3.48Å; N171-S174 WeakPolarHBondContact O-CB 3.15Å; N171-S174 PolarHBondContact O-N 3.25Å; N171-S174 PolarHBondContact O-OG 3.04Å; S174-I176 VanDerWaalsContact C-N 3.3Å; S174-I176 PolarHBondContact O-N 3.45Å; S174-M177 PolarHBondContact O-N 3.35Å; S174-M177 WeakPolarHBondContact OG-CB 3.31Å; S174-M177 PolarHBondContact OG-N 3.42Å; S174-M177 VanDerWaalsContact OG-N 3.15Å; S174-Q178 WeakPolarHBondContact O-CB 3.23Å; S174-Q178 WeakPolarHBondContact O-CG 3.35Å; S174-Q178 PolarHBondContact O-N 3.06Å
175P95.1Very high91.5Very high21 Ų2152 Ų5214%0.13626%0.256CS..Hα-helixtrans-54-44.1178.2-30.736.1000114.4T179 P346 L347P175-T179 WeakPolarHBondContact O-CB 3.28Å; P175-T179 PolarHBondContact O-N 2.81Å; P175-T179 PolarHBondContact O-OG1 2.72Å; P175-P346 HydrophobicContact CB-CB 4.09Å; P175-P346 HydrophobicContact CB-CG 3.51Å; P175-P346 HydrophobicContact CG-CB 3.99Å; P175-P346 HydrophobicContact CG-CG 3.9Å; P175-L347 HydrophobicContact CG-CD2 3.78Å; P175-L347 HydrophobicContact CG-CG 3.97Å
176I94.9Very high92Very high3 Ų347.5 Ų47.52%0.01524%0.235CC..Hα-helixtrans-69.1-42.3-178.6-170.963.2000111.7Y115 F118 L127 D168 Y169 S174 T179 F180Y115-I176 HydrophobicContact CD1-CD1 4.14Å; Y115-I176 HydrophobicContact CD1-CG1 3.97Å; Y115-I176 HydrophobicContact CG-CG1 4.42Å; F118-I176 HydrophobicContact CD1-CD1 3.97Å; F118-I176 HydrophobicContact CE1-CD1 4.29Å; L127-I176 HydrophobicContact CD2-CD1 4.13Å; D168-I176 HydrophobicContact CB-CG2 3.61Å; Y169-I176 HydrophobicContact CD2-CG2 4.34Å; Y169-I176 HydrophobicContact CE1-CG1 4.29Å; Y169-I176 HydrophobicContact CE2-CG1 3.9Å; Y169-I176 HydrophobicContact CE2-CG2 4.22Å; Y169-I176 WeakPolarHBondContact OH-CG1 3.26Å; S174-I176 VanDerWaalsContact C-N 3.3Å; S174-I176 PolarHBondContact O-N 3.45Å; I176-T179 PolarHBondContact O-N 2.75Å; I176-F180 VanDerWaalsContact O-CB 3.27Å; I176-F180 WeakPolarHBondContact O-CB 3.46Å; I176-F180 PolarHBondContact O-N 2.91Å
177M94.7Very high92.7Very high16 Ų1648.9 Ų48.98%0.07924%0.241CC..Hα-helixtrans-67.1-40.9-179.8-173.556.7-156.400111.3Y169 N171 S174 F180 A181 I213 V217Y169-M177 HydrophobicContact CD1-SD 3.74Å; N171-M177 WeakPolarHBondContact O-CB 3.37Å; S174-M177 PolarHBondContact O-N 3.35Å; S174-M177 WeakPolarHBondContact OG-CB 3.31Å; S174-M177 PolarHBondContact OG-N 3.42Å; S174-M177 VanDerWaalsContact OG-N 3.15Å; M177-F180 HydrophobicContact CE-CD1 4.36Å; M177-F180 PolarHBondContact O-N 3.43Å; M177-F180 HydrophobicContact SD-CD1 4.2Å; M177-A181 WeakPolarHBondContact O-CB 3.36Å; M177-A181 PolarHBondContact O-N 3.46Å; M177-I213 HydrophobicContact CE-CG2 4.25Å; M177-V217 HydrophobicContact CE-CG2 3.56Å
178Q95.3Very high93.4Very high35 Ų3541.4 Ų41.416%0.16421%0.209CC..Hα-helixtrans-61.1-45.1174.7-71.4-170.675.200111.7P172 Y173 S174 A181 L182P172-Q178 WeakPolarHBondContact O-CG 3.35Å; Y173-Q178 PolarHBondContact O-NE2 3.49Å; S174-Q178 WeakPolarHBondContact O-CB 3.23Å; S174-Q178 WeakPolarHBondContact O-CG 3.35Å; S174-Q178 PolarHBondContact O-N 3.06Å; Q178-A181 PolarHBondContact O-N 3.35Å; Q178-L182 WeakPolarHBondContact O-CG 3.46Å; Q178-L182 PolarHBondContact O-N 2.82Å; Q178-L182 VanDerWaalsContact O-N 3.09Å
179T96.8Very high94.2Very high6 Ų642.3 Ų42.34%0.03721%0.213CC..Hα-helixtrans-66.3-44.4178.9-52.40000111.5V124 L127 L128 P175 I176 A181 L182 G183V124-T179 HydrophobicContact CB-CG2 4.4Å; V124-T179 HydrophobicContact CG1-CG2 3.96Å; V124-T179 WeakPolarHBondContact CG2-OG1 3.36Å; L127-T179 HydrophobicContact CB-CG2 4.05Å; L127-T179 HydrophobicContact CD2-CG2 3.63Å; L127-T179 HydrophobicContact CG-CG2 4.13Å; L128-T179 HydrophobicContact CD2-CG2 4.22Å; L128-T179 HydrophobicContact CG-CG2 4.2Å; P175-T179 WeakPolarHBondContact O-CB 3.28Å; P175-T179 PolarHBondContact O-N 2.81Å; P175-T179 PolarHBondContact O-OG1 2.72Å; I176-T179 PolarHBondContact O-N 2.75Å; T179-A181 PolarHBondContact O-N 3.01Å; T179-L182 PolarHBondContact O-N 3.47Å; T179-G183 PolarHBondContact O-N 2.88Å
180F95.8Very high94.7Very high52 Ų5242.4 Ų42.423%0.22821%0.213CC..Hα-helixtrans-59.2-45.3176.5176.1-109000111.7Y169 I176 M177 L182 G183 A184 I213 V217Y169-F180 HydrophobicContact CD1-CD1 4.49Å; Y169-F180 HydrophobicContact CE1-CB 4.03Å; Y169-F180 HydrophobicContact CE1-CD1 4.1Å; Y169-F180 HydrophobicContact CE1-CD2 4.5Å; Y169-F180 AromaticContact CE1-CG 3.95Å; Y169-F180 HydrophobicContact CE1-CG 3.95Å; I176-F180 VanDerWaalsContact O-CB 3.27Å; I176-F180 WeakPolarHBondContact O-CB 3.46Å; I176-F180 PolarHBondContact O-N 2.91Å; M177-F180 HydrophobicContact CE-CD1 4.36Å; M177-F180 PolarHBondContact O-N 3.43Å; M177-F180 HydrophobicContact SD-CD1 4.2Å; F180-L182 VanDerWaalsContact C-N 3.34Å; F180-L182 PolarHBondContact O-N 3.32Å; F180-G183 PolarHBondContact O-N 3.48Å; F180-A184 WeakPolarHBondContact O-CB 3.31Å; F180-A184 PolarHBondContact O-N 2.88Å; F180-I213 HydrophobicContact CE1-CG2 4.1Å; F180-V217 HydrophobicContact CD1-CG1 4.46Å; F180-V217 HydrophobicContact CD1-CG2 4.49Å; F180-V217 HydrophobicContact CE1-CB 4.41Å; F180-V217 HydrophobicContact CE1-CG1 3.91Å; F180-V217 HydrophobicContact CE1-CG2 4.21Å; F180-V217 HydrophobicContact CZ-CG1 4.48Å
181A96.1Very high95.3Very high30 Ų3039 Ų3925%0.24819%0.194CC..Hα-helixtrans-63.3-38.7177.600000112.6M177 Q178 T179 K185M177-A181 WeakPolarHBondContact O-CB 3.36Å; M177-A181 PolarHBondContact O-N 3.46Å; Q178-A181 PolarHBondContact O-N 3.35Å; T179-A181 PolarHBondContact O-N 3.01Å; A181-K185 WeakPolarHBondContact O-CB 3.43Å; A181-K185 PolarHBondContact O-N 3.28Å
182L97Very high95.6Very high14 Ų1435.6 Ų35.67%0.07318%0.176CC..Hα-helixtrans-64.1-44.8173.9-71174.6000111.6L128 Q178 T179 F180 K185 M186 K320 V342 C344L128-L182 HydrophobicContact CD1-CB 4.23Å; L128-L182 HydrophobicContact CD1-CD1 4.48Å; L128-L182 HydrophobicContact CD2-CB 4.02Å; Q178-L182 WeakPolarHBondContact O-CG 3.46Å; Q178-L182 PolarHBondContact O-N 2.82Å; Q178-L182 VanDerWaalsContact O-N 3.09Å; T179-L182 PolarHBondContact O-N 3.47Å; F180-L182 VanDerWaalsContact C-N 3.34Å; F180-L182 PolarHBondContact O-N 3.32Å; L182-K185 PolarHBondContact O-N 3.18Å; L182-M186 PolarHBondContact O-N 3.38Å; L182-K320 HydrophobicContact CD2-CD 4.2Å; L182-V342 HydrophobicContact CD2-CB 4.06Å; L182-V342 HydrophobicContact CD2-CG1 3.54Å; L182-C344 HydrophobicContact CD1-CB 4.25Å
183G98.1Very high96.1Very high0 Ų034.2 Ų34.20%016%0.162CC..Hα-helixtrans-61.6-52.7177.300000111.8T179 F180 K185 M186 L187T179-G183 PolarHBondContact O-N 2.88Å; F180-G183 PolarHBondContact O-N 3.48Å; G183-K185 VanDerWaalsContact C-N 3.27Å; G183-K185 PolarHBondContact O-N 3.26Å; G183-M186 WeakPolarHBondContact O-CB 3.43Å; G183-M186 PolarHBondContact O-N 3.31Å; G183-M186 VanDerWaalsContact O-N 3.14Å; G183-L187 WeakPolarHBondContact O-CB 3.46Å; G183-L187 VanDerWaalsContact O-CG 3.31Å; G183-L187 WeakPolarHBondContact O-CG 3.49Å; G183-L187 PolarHBondContact O-N 3.37Å
184A97.4Very high96.5Very high11 Ų1125.9 Ų25.99%0.09113%0.13CC..Hα-helixtrans-59.7-37178.600000112.5F180 Q188 V217F180-A184 WeakPolarHBondContact O-CB 3.31Å; F180-A184 PolarHBondContact O-N 2.88Å; A184-Q188 VanDerWaalsContact O-CB 3.3Å; A184-Q188 WeakPolarHBondContact O-CB 3.37Å; A184-Q188 WeakPolarHBondContact O-CG 3.45Å; A184-Q188 PolarHBondContact O-N 2.94Å; A184-Q188 PolarHBondContact O-NE2 3.32Å; A184-V217 HydrophobicContact CB-CG1 3.25Å
185K96.5Very high96.7Very high102 Ų10226.6 Ų26.644%0.44313%0.133SC..Hα-helixtrans-62.2-52.2173.4180178.7178.6-69.30111.1A181 L182 G183 L187 Q188 E189A181-K185 WeakPolarHBondContact O-CB 3.43Å; A181-K185 PolarHBondContact O-N 3.28Å; L182-K185 PolarHBondContact O-N 3.18Å; G183-K185 VanDerWaalsContact C-N 3.27Å; G183-K185 PolarHBondContact O-N 3.26Å; K185-L187 VanDerWaalsContact C-N 3.35Å; K185-L187 PolarHBondContact O-N 3.4Å; K185-Q188 PolarHBondContact O-N 3.16Å; K185-E189 WeakPolarHBondContact CE-OE1 3.32Å; K185-E189 IonicContact NZ-OE1 3.46Å; K185-E189 PolarHBondContact NZ-OE1 3.18Å; K185-E189 IonicContact NZ-OE2 2.89Å; K185-E189 PolarHBondContact NZ-OE2 3.24Å; K185-E189 WeakPolarHBondContact O-CB 3.44Å; K185-E189 WeakPolarHBondContact O-CG 3.5Å; K185-E189 PolarHBondContact O-N 3.17Å
186M97.6Very high96.9Very high21 Ų2128.5 Ų28.510%0.10314%0.142CC..Hα-helixtrans-57.4-48.1178.9-177-143.1-51.600111.4L128 F132 L182 G183 Q188 E189 Y190 M341L128-M186 HydrophobicContact CB-CE 3.97Å; L128-M186 HydrophobicContact CD2-CE 4.23Å; F132-M186 HydrophobicContact CB-SD 4.06Å; F132-M186 HydrophobicContact CD2-SD 4.42Å; F132-M186 HydrophobicContact CG-SD 4.18Å; L182-M186 PolarHBondContact O-N 3.38Å; G183-M186 WeakPolarHBondContact O-CB 3.43Å; G183-M186 PolarHBondContact O-N 3.31Å; G183-M186 VanDerWaalsContact O-N 3.14Å; M186-Q188 PolarHBondContact O-N 3.03Å; M186-E189 PolarHBondContact O-N 2.98Å; M186-E189 VanDerWaalsContact O-N 3.09Å; M186-Y190 HydrophobicContact CG-CD2 3.89Å; M186-Y190 HydrophobicContact CG-CE2 3.86Å; M186-Y190 PolarHBondContact O-N 2.88Å; M186-M341 HydrophobicContact CE-CE 3.24Å; M186-M341 HydrophobicContact SD-CE 4.35Å
187L98.4Very high97Very high49 Ų4928.3 Ų28.326%0.25714%0.141SC..Hα-helixtrans-62.1-44.4-178.6-68.5-176.8000111.8A135 G183 K185 E189 Y190 Y191A135-L187 HydrophobicContact CB-CD2 3.45Å; A135-L187 VanDerWaalsContact CB-CD2 3.45Å; G183-L187 WeakPolarHBondContact O-CB 3.46Å; G183-L187 VanDerWaalsContact O-CG 3.31Å; G183-L187 WeakPolarHBondContact O-CG 3.49Å; G183-L187 PolarHBondContact O-N 3.37Å; K185-L187 VanDerWaalsContact C-N 3.35Å; K185-L187 PolarHBondContact O-N 3.4Å; L187-E189 PolarHBondContact O-N 3.01Å; L187-Y190 PolarHBondContact O-N 3.26Å; L187-Y191 HydrophobicContact CD2-CD2 3.85Å; L187-Y191 HydrophobicContact CD2-CE2 3.84Å; L187-Y191 WeakPolarHBondContact O-CA 3.28Å; L187-Y191 WeakPolarHBondContact O-CB 3.48Å; L187-Y191 WeakPolarHBondContact O-CD2 3.41Å; L187-Y191 PolarHBondContact O-N 3.32Å
188Q97.6Very high97.2Very high20 Ų2028.5 Ų28.59%0.09314%0.142CC..Hα-helixtrans-71-21.1177.4-67.5175.9105.300112.5A184 K185 M186 V217 L218 V219 R221 T222A184-Q188 VanDerWaalsContact O-CB 3.3Å; A184-Q188 WeakPolarHBondContact O-CB 3.37Å; A184-Q188 WeakPolarHBondContact O-CG 3.45Å; A184-Q188 PolarHBondContact O-N 2.94Å; A184-Q188 PolarHBondContact O-NE2 3.32Å; K185-Q188 PolarHBondContact O-N 3.16Å; M186-Q188 PolarHBondContact O-N 3.03Å; Q188-V217 PolarHBondContact NE2-O 2.55Å; Q188-L218 VanDerWaalsContact OE1-CA 3.3Å; Q188-V219 HydrophobicContact CB-CG2 4.42Å; Q188-R221 PolarHBondContact O-NH2 2.98Å; Q188-T222 PolarHBondContact OE1-OG1 3.45Å
189E96.9Very high97.3Very high52 Ų5227.3 Ų27.324%0.24314%0.136CC..Hα-helixtrans-77.6-42.9174.4-80.8175.4158.100112.7W43 L53 K185 M186 L187W43-E189 HydrophobicContact CH2-CG 4.25Å; W43-E189 WeakPolarHBondContact CZ2-O 3.46Å; L53-E189 HydrophobicContact CD2-CB 4.27Å; L53-E189 HydrophobicContact CD2-CG 4.32Å; K185-E189 WeakPolarHBondContact CE-OE1 3.32Å; K185-E189 IonicContact NZ-OE1 3.46Å; K185-E189 PolarHBondContact NZ-OE1 3.18Å; K185-E189 IonicContact NZ-OE2 2.89Å; K185-E189 PolarHBondContact NZ-OE2 3.24Å; K185-E189 WeakPolarHBondContact O-CB 3.44Å; K185-E189 WeakPolarHBondContact O-CG 3.5Å; K185-E189 PolarHBondContact O-N 3.17Å; M186-E189 PolarHBondContact O-N 2.98Å; M186-E189 VanDerWaalsContact O-N 3.09Å; L187-E189 PolarHBondContact O-N 3.01Å
190Y98Very high97.3Very high21 Ų2127.1 Ų27.18%0.08214%0.135CC..Hα-helixtrans-92.6-34.7-174.6-65.6-16.5000114.4W39 S56 Y57 N60 F132 M186 L187W39-Y190 WeakPolarHBondContact CZ2-O 3.13Å; S56-Y190 PolarHBondContact OG-OH 3.23Å; Y57-Y190 HydrophobicContact CD2-CD1 4.33Å; Y57-Y190 AromaticContact CD2-CD2 3.85Å; Y57-Y190 HydrophobicContact CD2-CD2 3.85Å; Y57-Y190 AromaticContact CD2-CG 3.74Å; Y57-Y190 HydrophobicContact CD2-CG 3.74Å; Y57-Y190 HydrophobicContact CG-CD1 4.45Å; Y57-Y190 HydrophobicContact CG-CG 4.29Å; N60-Y190 PolarHBondContact ND2-OH 2.94Å; F132-Y190 HydrophobicContact CE2-CD2 4.05Å; F132-Y190 HydrophobicContact CE2-CE2 4.45Å; F132-Y190 HydrophobicContact CZ-CD2 4.39Å; F132-Y190 HydrophobicContact CZ-CE2 4.36Å; M186-Y190 HydrophobicContact CG-CD2 3.89Å; M186-Y190 HydrophobicContact CG-CE2 3.86Å; M186-Y190 PolarHBondContact O-N 2.88Å; L187-Y190 PolarHBondContact O-N 3.26Å
191Y97.9Very high97.4Very high22 Ų2224.7 Ų24.79%0.08613%0.125CC..SBendtrans-108.751-175.4-54.1-80.9000110.9Y57 F132 A135 E136 L139 L187 L194Y57-Y191 HydrophobicContact CE2-CE1 4.28Å; F132-Y191 HydrophobicContact CD2-CE2 4.28Å; F132-Y191 WeakPolarHBondContact CD2-OH 3.36Å; F132-Y191 WeakPolarHBondContact CE2-OH 3.49Å; A135-Y191 HydrophobicContact CB-CD1 4.21Å; A135-Y191 HydrophobicContact CB-CD2 3.57Å; A135-Y191 HydrophobicContact CB-CE1 3.9Å; A135-Y191 HydrophobicContact CB-CE2 3.22Å; A135-Y191 HydrophobicContact CB-CG 4.05Å; E136-Y191 VanDerWaalsContact CG-OH 3.31Å; E136-Y191 WeakPolarHBondContact CG-OH 3.39Å; E136-Y191 WeakPolarHBondContact OE1-CE1 3.22Å; E136-Y191 VanDerWaalsContact OE1-CZ 3.23Å; E136-Y191 PolarHBondContact OE1-OH 2.83Å; L139-Y191 HydrophobicContact CB-CD1 4.23Å; L139-Y191 HydrophobicContact CB-CE1 4.16Å; L139-Y191 HydrophobicContact CD2-CD1 4.12Å; L139-Y191 HydrophobicContact CD2-CE1 3.93Å; L187-Y191 HydrophobicContact CD2-CD2 3.85Å; L187-Y191 HydrophobicContact CD2-CE2 3.84Å; L187-Y191 WeakPolarHBondContact O-CA 3.28Å; L187-Y191 WeakPolarHBondContact O-CB 3.48Å; L187-Y191 WeakPolarHBondContact O-CD2 3.41Å; L187-Y191 PolarHBondContact O-N 3.32Å; Y191-L194 HydrophobicContact CD1-CD2 3.95Å; Y191-L194 HydrophobicContact CG-CD2 4.27Å; Y191-L194 WeakPolarHBondContact O-CB 3.45Å; Y191-L194 PolarHBondContact O-N 3.15Å
192C94.4Very high97.3Very high5 Ų526.6 Ų26.63%0.03413%0.131CC..THydrogen-bonded Turntrans-66.2140.1-179.1580000111.5R38 W43 L194R38-C192 PolarHBondContact O-SG 2.94Å; W43-C192 HydrophobicContact CZ2-CB 4.47Å; C192-L194 PolarHBondContact O-N 3.42Å
193E96.1Very high97Very high53 Ų5326.1 Ų26.125%0.24813%0.129CC..THydrogen-bonded Turntrans5221.7-177.6-66-56.8100.700115.2R38 D41 R221 K225R38-E193 HydrophobicContact CB-CB 4.24Å; R38-E193 WeakPolarHBondContact CD-O 3.31Å; R38-E193 HydrophobicContact CG-CB 4.09Å; D41-E193 HydrophobicContact CB-CG 4.21Å; E193-R221 VanDerWaalsContact OE1-CD 3.3Å; E193-R221 WeakPolarHBondContact OE1-CD 3.32Å; E193-R221 IonicContact OE1-NE 2.82Å; E193-K225 IonicContact OE1-NZ 3.21Å; E193-K225 PolarHBondContact OE1-NZ 2.79Å; E193-K225 IonicContact OE2-NZ 3.13Å; E193-K225 PolarHBondContact OE2-NZ 3.32Å
194L98.2Very high96.6Very high5 Ų528.9 Ų28.93%0.02616%0.157CC..  trans-80.5-29.6172.9-17163.1000112.2L139 V142 G154 L155 Y191 C192L139-L194 HydrophobicContact CB-CD2 4.12Å; L139-L194 HydrophobicContact CD1-CD1 3.79Å; L139-L194 HydrophobicContact CD1-CD2 4.31Å; V142-L194 HydrophobicContact CB-CD1 4.04Å; V142-L194 HydrophobicContact CG1-CD1 3.81Å; V142-L194 HydrophobicContact CG2-CD1 3.96Å; G154-L194 CarbonylContact C-O 3.58Å; G154-L194 WeakPolarHBondContact CA-O 3.35Å; L155-L194 HydrophobicContact CD1-CD2 3.7Å; L155-L194 HydrophobicContact CD1-CG 3.84Å; L155-L194 HydrophobicContact CG-CD2 4.27Å; L155-L194 HydrophobicContact CG-CG 3.96Å; L155-L194 PolarHBondContact N-O 3.04Å; Y191-L194 HydrophobicContact CD1-CD2 3.95Å; Y191-L194 HydrophobicContact CG-CD2 4.27Å; Y191-L194 WeakPolarHBondContact O-CB 3.45Å; Y191-L194 PolarHBondContact O-N 3.15Å; C192-L194 PolarHBondContact O-N 3.42Å
195L98.5Very high96.1Very high21 Ų2133.7 Ų33.711%0.1120%0.197CC..EExtended strand (participates in β ladder)trans-80.5131.7178-177.273.3000110.4L155 L157 G197 L198 T222 K225L155-L195 HydrophobicContact CB-CD1 4.41Å; L157-L195 HydrophobicContact CB-CD1 4.04Å; L157-L195 HydrophobicContact CD1-CD1 3.67Å; L157-L195 HydrophobicContact CG-CD1 3.57Å; L195-G197 WeakPolarHBondContact CD1-O 3.34Å; L195-L198 HydrophobicContact CD1-CB 4.38Å; L195-L198 HydrophobicContact CD2-CB 3.88Å; L195-T222 HydrophobicContact CD2-CG2 3.72Å; L195-K225 HydrophobicContact CD2-CB 4.2Å; L195-K225 HydrophobicContact CG-CD 4.49Å; L195-K225 WeakPolarHBondContact O-CD 3.33Å; L195-K225 WeakPolarHBondContact O-CE 3.15Å; L195-K225 PolarHBondContact O-NZ 2.95Å
196N98.3Very high95.7Very high60 Ų6030.1 Ų30.132%0.32118%0.184SC..EExtended strand (participates in β ladder)trans-99.5-44.3169.3-74.931.7000111T103 L155T103-N196 HydrophobicContact CG2-CB 3.66Å; T103-N196 VanDerWaalsContact CG2-CG 3.47Å; T103-N196 WeakPolarHBondContact CG2-ND2 3.36Å; L155-N196 PolarHBondContact O-N 3.32Å
197G98.2Very high95.3Very high0 Ų032 Ų320%019%0.191CC..EExtended strand (participates in β ladder)trans-145.8135.1-179.800000112.8L155 T156 L157 L195L155-G197 PolarHBondContact O-N 3.02Å; T156-G197 WeakPolarHBondContact CA-O 3.41Å; L157-G197 PolarHBondContact N-O 2.99Å; L195-G197 WeakPolarHBondContact CD1-O 3.34Å
198L98.4Very high95Very high19 Ų1937.9 Ų37.910%0.09922%0.215CC..EExtended strand (participates in β ladder)trans-114.7107.1171.2168.361.7000109.2L157 Y159 L195 L218 K225 M226 H227L157-L198 HydrophobicContact CB-CD1 3.99Å; L157-L198 CarbonylContact O-C 3.46Å; L157-L198 WeakPolarHBondContact O-CA 3.48Å; Y159-L198 HydrophobicContact CD2-CD1 3.39Å; Y159-L198 HydrophobicContact CE2-CD1 3.86Å; Y159-L198 HydrophobicContact CG-CD1 4.31Å; L195-L198 HydrophobicContact CD1-CB 4.38Å; L195-L198 HydrophobicContact CD2-CB 3.88Å; L198-L218 HydrophobicContact CD2-CD1 4.08Å; L198-K225 PolarHBondContact N-O 3.42Å; L198-M226 HydrophobicContact CD2-CB 4.26Å; L198-M226 HydrophobicContact CD2-CG 4.08Å; L198-M226 HydrophobicContact CG-CG 4.23Å; L198-M226 CarbonylContact O-C 3.5Å; L198-M226 VanDerWaalsContact O-CA 3.3Å; L198-M226 WeakPolarHBondContact O-CA 3.34Å; L198-H227 PolarHBondContact O-N 2.9Å
199Y98.2Very high94.5Very high10 Ų1038.3 Ų38.34%0.03922%0.219CC..EExtended strand (participates in β ladder)trans-101.7118-176.2-60.3-82.8000110.7T156 L157 I158 Y159 H227 I229 L238 K241 I242T156-Y199 HydrophobicContact CG2-CD2 3.88Å; T156-Y199 HydrophobicContact CG2-CE2 3.76Å; L157-Y199 PolarHBondContact O-N 3.12Å; I158-Y199 CarbonylContact C-O 3.54Å; I158-Y199 WeakPolarHBondContact CA-O 3.46Å; Y159-Y199 PolarHBondContact N-O 2.77Å; Y199-H227 CarbonylContact C-O 3.47Å; Y199-H227 WeakPolarHBondContact CA-O 3.37Å; Y199-H227 HydrophobicContact CD1-CB 3.75Å; Y199-H227 HydrophobicContact CE1-CB 3.94Å; Y199-H227 AromaticContact CE1-CD2 3.48Å; Y199-H227 VanDerWaalsContact CE1-CD2 3.48Å; Y199-H227 WeakPolarHBondContact CE1-CD2 3.34Å; Y199-H227 AromaticContact CE1-CG 3.97Å; Y199-H227 AromaticContact CZ-CD2 3.91Å; Y199-I229 HydrophobicContact CD1-CD1 4.2Å; Y199-I229 HydrophobicContact CD1-CG1 4.43Å; Y199-L238 HydrophobicContact CD1-CD1 3.45Å; Y199-L238 VanDerWaalsContact CD1-CD1 3.45Å; Y199-L238 HydrophobicContact CE1-CD1 3.88Å; Y199-L238 HydrophobicContact CG-CD1 3.82Å; Y199-K241 HydrophobicContact CE1-CB 4.26Å; Y199-K241 HydrophobicContact CE1-CD 3.59Å; Y199-I242 HydrophobicContact CD2-CD1 3.76Å; Y199-I242 HydrophobicContact CE2-CD1 3.91Å; Y199-I242 HydrophobicContact CE2-CG1 4.2Å; Y199-I242 HydrophobicContact CG-CD1 4.21Å
200V97Very high94.2Very high3 Ų336.2 Ų36.22%0.01821%0.209CC..EExtended strand (participates in β ladder)trans-102.2114.2179.8169.90000109.6Y159 F161 A203 V210 M226 H227 I228 I229Y159-V200 CarbonylContact O-C 3.16Å; Y159-V200 WeakPolarHBondContact O-CA 3.39Å; F161-V200 HydrophobicContact CD2-CG1 3.63Å; F161-V200 HydrophobicContact CE2-CB 4.42Å; F161-V200 HydrophobicContact CE2-CG1 3.71Å; F161-V200 HydrophobicContact CE2-CG2 4.03Å; F161-V200 HydrophobicContact CG-CG1 4.47Å; V200-A203 HydrophobicContact CG1-CB 4.04Å; V200-V210 HydrophobicContact CG1-CG1 4.24Å; V200-M226 HydrophobicContact CB-CE 4.26Å; V200-M226 HydrophobicContact CG2-CE 3.55Å; V200-M226 HydrophobicContact CG2-CG 4.29Å; V200-H227 PolarHBondContact N-O 2.9Å; V200-I228 HydrophobicContact CB-CG1 4.23Å; V200-I228 HydrophobicContact CB-CG2 4.47Å; V200-I228 HydrophobicContact CG1-CG2 4.27Å; V200-I229 PolarHBondContact O-N 3.07Å
201L96.7Very high93.9Very high0 Ų037.4 Ų37.40%022%0.217CC..EExtended strand (participates in β ladder)trans-105.8152.8-178.2-45.6-171.9000110.4I158 Y159 F161 A203 I229 L235 L238 Y251I158-L201 HydrophobicContact CG2-CD1 3.54Å; I158-L201 HydrophobicContact CG2-CG 3.89Å; Y159-L201 PolarHBondContact O-N 3.11Å; F161-L201 WeakPolarHBondContact CB-O 3.47Å; F161-L201 PolarHBondContact N-O 2.81Å; L201-A203 PolarHBondContact O-N 3.24Å; L201-I229 HydrophobicContact CD2-CB 3.45Å; L201-I229 VanDerWaalsContact CD2-CB 3.45Å; L201-I229 HydrophobicContact CD2-CG1 3.46Å; L201-I229 VanDerWaalsContact CD2-CG1 3.46Å; L201-I229 HydrophobicContact CD2-CG2 3.98Å; L201-L235 HydrophobicContact CD1-CD2 4.31Å; L201-L235 HydrophobicContact CD2-CD2 4.35Å; L201-L238 HydrophobicContact CD1-CD2 4.39Å; L201-L238 HydrophobicContact CD2-CD2 4.07Å; L201-Y251 HydrophobicContact CD1-CD1 3.55Å; L201-Y251 HydrophobicContact CD1-CD2 3.83Å; L201-Y251 HydrophobicContact CD1-CE1 3.99Å; L201-Y251 HydrophobicContact CD1-CE2 4.24Å; L201-Y251 HydrophobicContact CD1-CG 3.49Å; L201-Y251 VanDerWaalsContact CD1-CG 3.49Å
202N93.7Very high93.7Very high70 Ų7041.3 Ų41.337%0.37424%0.239SC..  trans52.132.5168.9-51.7-43.4000115.3D160 F161 N162 G204D160-N202 WeakPolarHBondContact OD1-CB 3.19Å; D160-N202 PolarHBondContact OD1-ND2 3.09Å; F161-N202 CarbonylContact C-O 3.42Å; N162-N202 HydrophobicContact CB-CB 3.76Å; N202-G204 PolarHBondContact O-N 3.02Å
203A91.8Very high93.6Very high4 Ų442.2 Ų42.23%0.03324%0.243CC..  trans-67-22.917900000113.3F161 V200 L201 A205 V206 F207F161-A203 HydrophobicContact CB-CB 4.29Å; V200-A203 HydrophobicContact CG1-CB 4.04Å; L201-A203 PolarHBondContact O-N 3.24Å; A203-A205 PolarHBondContact O-N 2.94Å; A203-V206 WeakPolarHBondContact O-CG2 3.42Å; A203-V206 PolarHBondContact O-N 3.44Å; A203-F207 HydrophobicContact CB-CB 4.15Å; A203-F207 PolarHBondContact O-N 3.15Å
204G88.7Confident93.5Very high58 Ų5840.1 Ų40.160%0.59824%0.235SC*.G310 helixtrans42.6-125.3172.200000113.7N202 V206 F207N202-G204 PolarHBondContact O-N 3.02Å; G204-V206 VanDerWaalsContact C-N 3.29Å; G204-V206 PolarHBondContact O-N 3.41Å; G204-F207 WeakPolarHBondContact O-CB 3.47Å; G204-F207 PolarHBondContact O-N 3.29Å
205A86.9Confident93.3Very high112 Ų11246.1 Ų46.193%0.92626%0.261SS*.G310 helixtrans-66.5-24.2-17900000114.4A203 F207A203-A205 PolarHBondContact O-N 2.94Å; A205-F207 VanDerWaalsContact C-N 3.34Å
206V88.5Confident93Very high27 Ų2750.2 Ų50.216%0.16429%0.287CS..G310 helixtrans-88.5-0.8-178.3-61.20000113.2F161 F164 V166 A203 G204 K208 T209 V210F161-V206 HydrophobicContact CD1-CG2 4.49Å; F164-V206 HydrophobicContact CD1-CG2 4.21Å; V166-V206 HydrophobicContact CB-CB 4.43Å; V166-V206 HydrophobicContact CB-CG1 4.05Å; V166-V206 HydrophobicContact CG1-CB 4.41Å; V166-V206 HydrophobicContact CG1-CG1 3.76Å; A203-V206 WeakPolarHBondContact O-CG2 3.42Å; A203-V206 PolarHBondContact O-N 3.44Å; G204-V206 VanDerWaalsContact C-N 3.29Å; G204-V206 PolarHBondContact O-N 3.41Å; V206-K208 PolarHBondContact O-N 3.44Å; V206-T209 WeakPolarHBondContact O-CA 3.35Å; V206-T209 WeakPolarHBondContact O-CB 3.19Å; V206-T209 PolarHBondContact O-N 3.21Å; V206-V210 HydrophobicContact CG2-CG2 4.15Å; V206-V210 WeakPolarHBondContact O-CG2 3.42Å; V206-V210 PolarHBondContact O-N 3.36Å
207F89.9Confident92.8Very high61 Ų6148.3 Ų48.327%0.26828%0.277SS..Hα-helixtrans-45.3-51.3-178.1166.7-97.2000114.5A203 G204 A205 T209 V210 L211 I228 H230A203-F207 HydrophobicContact CB-CB 4.15Å; A203-F207 PolarHBondContact O-N 3.15Å; G204-F207 WeakPolarHBondContact O-CB 3.47Å; G204-F207 PolarHBondContact O-N 3.29Å; A205-F207 VanDerWaalsContact C-N 3.34Å; F207-T209 PolarHBondContact O-N 2.92Å; F207-V210 PolarHBondContact O-N 3.46Å; F207-V210 VanDerWaalsContact O-N 3.14Å; F207-L211 PolarHBondContact O-N 2.9Å; F207-I228 HydrophobicContact CD2-CD1 3.83Å; F207-I228 HydrophobicContact CD2-CG2 3.82Å; F207-I228 HydrophobicContact CE2-CB 4.11Å; F207-I228 HydrophobicContact CE2-CD1 3.23Å; F207-I228 HydrophobicContact CE2-CG1 4.2Å; F207-I228 HydrophobicContact CE2-CG2 3.74Å; F207-I228 HydrophobicContact CZ-CD1 4.08Å; F207-H230 AromaticContact CD2-CE1 3.63Å; F207-H230 AromaticContact CD2-NE2 3.95Å; F207-H230 AromaticContact CE2-CE1 3.73Å; F207-H230 AromaticContact CE2-NE2 3.56Å
208K90.5Very high92.7Very high173 Ų17350 Ų5075%0.75229%0.286SS*.Hα-helixtrans-59.3-38.2-178.4-73.3-177.1176.5177.70111.4V206 L212V206-K208 PolarHBondContact O-N 3.44Å; K208-L212 PolarHBondContact O-N 3.42Å
209T87.9Confident92.6Very high28 Ų2851.6 Ų51.617%0.17230%0.296CS..Hα-helixtrans-70.9-42.2177.7-52.40000111.8V166 L170 V206 F207 L211 L212 I213V166-T209 HydrophobicContact CB-CG2 4.47Å; V166-T209 HydrophobicContact CG2-CG2 3.25Å; L170-T209 HydrophobicContact CD2-CG2 3.26Å; L170-T209 HydrophobicContact CG-CG2 3.77Å; V206-T209 WeakPolarHBondContact O-CA 3.35Å; V206-T209 WeakPolarHBondContact O-CB 3.19Å; V206-T209 PolarHBondContact O-N 3.21Å; F207-T209 PolarHBondContact O-N 2.92Å; T209-L211 VanDerWaalsContact C-N 3.28Å; T209-L211 PolarHBondContact O-N 3.16Å; T209-L212 PolarHBondContact O-N 3.01Å; T209-I213 HydrophobicContact CG2-CD1 3.82Å; T209-I213 HydrophobicContact CG2-CG1 4.35Å; T209-I213 WeakPolarHBondContact O-CG1 3.16Å; T209-I213 PolarHBondContact O-N 3.04Å
210V90.1Very high92.5Very high8 Ų855.8 Ų55.85%0.04833%0.325CS..Hα-helixtrans-57.4-44.8174.5178.90000110.5F161 V200 V206 F207 L212 I213 A214 M226F161-V210 HydrophobicContact CD1-CG2 3.42Å; F161-V210 VanDerWaalsContact CD1-CG2 3.42Å; F161-V210 HydrophobicContact CE1-CB 4.17Å; F161-V210 HydrophobicContact CE1-CG1 3.82Å; F161-V210 HydrophobicContact CE1-CG2 3.25Å; F161-V210 HydrophobicContact CE2-CG1 4.12Å; F161-V210 HydrophobicContact CG-CG2 4.23Å; F161-V210 HydrophobicContact CZ-CB 4.42Å; F161-V210 HydrophobicContact CZ-CG1 3.57Å; F161-V210 HydrophobicContact CZ-CG2 3.93Å; V200-V210 HydrophobicContact CG1-CG1 4.24Å; V206-V210 HydrophobicContact CG2-CG2 4.15Å; V206-V210 WeakPolarHBondContact O-CG2 3.42Å; V206-V210 PolarHBondContact O-N 3.36Å; F207-V210 PolarHBondContact O-N 3.46Å; F207-V210 VanDerWaalsContact O-N 3.14Å; V210-L212 PolarHBondContact O-N 3.29Å; V210-I213 PolarHBondContact O-N 3.09Å; V210-A214 VanDerWaalsContact O-CB 3.25Å; V210-A214 WeakPolarHBondContact O-CB 3.14Å; V210-A214 PolarHBondContact O-N 2.98Å; V210-M226 HydrophobicContact CG1-CE 3.85Å
211L92.9Very high92.4Very high47 Ų4758 Ų5825%0.24633%0.333CS..Hα-helixtrans-64.7-40.2178-166.873.2000112.2F207 T209 A214 K215 F223 I228F207-L211 PolarHBondContact O-N 2.9Å; T209-L211 VanDerWaalsContact C-N 3.28Å; T209-L211 PolarHBondContact O-N 3.16Å; L211-A214 PolarHBondContact O-N 3.26Å; L211-K215 WeakPolarHBondContact O-CB 3.34Å; L211-K215 VanDerWaalsContact O-CG 3.32Å; L211-K215 WeakPolarHBondContact O-CG 3.5Å; L211-K215 PolarHBondContact O-N 3.01Å; L211-F223 HydrophobicContact CD1-CE2 4.13Å; L211-F223 HydrophobicContact CD1-CZ 4.01Å; L211-I228 HydrophobicContact CD1-CD1 4Å
212L92.5Very high92.4Very high103 Ų10359 Ų5954%0.53934%0.339SS..Hα-helixtrans-62.3-50.6175.5178.262.7000111.2K208 T209 V210 A214 K215 T216K208-L212 PolarHBondContact O-N 3.42Å; T209-L212 PolarHBondContact O-N 3.01Å; V210-L212 PolarHBondContact O-N 3.29Å; L212-A214 VanDerWaalsContact C-N 3.31Å; L212-A214 PolarHBondContact O-N 3.11Å; L212-K215 PolarHBondContact O-N 2.98Å; L212-T216 PolarHBondContact O-N 2.98Å; L212-T216 VanDerWaalsContact O-N 3.07Å; L212-T216 PolarHBondContact O-OG1 3.35Å; L212-T216 VanDerWaalsContact O-OG1 3.14Å
213I92.4Very high92.6Very high25 Ų2558.3 Ų58.313%0.12833%0.333CS..Hα-helixtrans-58.5-46177.5-68.4165000110.1V166 M177 F180 T209 V210 K215 T216 V217V166-I213 HydrophobicContact CG2-CD1 4.29Å; M177-I213 HydrophobicContact CE-CG2 4.25Å; F180-I213 HydrophobicContact CE1-CG2 4.1Å; T209-I213 HydrophobicContact CG2-CD1 3.82Å; T209-I213 HydrophobicContact CG2-CG1 4.35Å; T209-I213 WeakPolarHBondContact O-CG1 3.16Å; T209-I213 PolarHBondContact O-N 3.04Å; V210-I213 PolarHBondContact O-N 3.09Å; I213-K215 PolarHBondContact O-N 3.28Å; I213-T216 PolarHBondContact O-N 3.47Å; I213-T216 VanDerWaalsContact O-N 3.16Å; I213-V217 HydrophobicContact CG2-CG2 4.13Å; I213-V217 WeakPolarHBondContact O-CB 3.31Å; I213-V217 WeakPolarHBondContact O-CG2 3.13Å; I213-V217 PolarHBondContact O-N 2.98Å
214A94Very high92.9Very high8 Ų863.8 Ų63.87%0.06636%0.362CS..Hα-helixtrans-59.2-46178.800000111.7V210 L211 L212 T216 V217 L218 F223 M226V210-A214 VanDerWaalsContact O-CB 3.25Å; V210-A214 WeakPolarHBondContact O-CB 3.14Å; V210-A214 PolarHBondContact O-N 2.98Å; L211-A214 PolarHBondContact O-N 3.26Å; L212-A214 VanDerWaalsContact C-N 3.31Å; L212-A214 PolarHBondContact O-N 3.11Å; A214-T216 VanDerWaalsContact C-N 3.27Å; A214-T216 PolarHBondContact O-N 3.48Å; A214-V217 PolarHBondContact O-N 3.21Å; A214-L218 HydrophobicContact CB-CD1 3.98Å; A214-L218 HydrophobicContact CB-CG 4.43Å; A214-L218 WeakPolarHBondContact O-CB 3.26Å; A214-L218 WeakPolarHBondContact O-CG 3.31Å; A214-L218 PolarHBondContact O-N 2.77Å; A214-F223 HydrophobicContact CB-CD2 4.04Å; A214-F223 HydrophobicContact CB-CE2 3.99Å; A214-M226 HydrophobicContact CB-CE 4.02Å; A214-M226 HydrophobicContact CB-SD 3.6Å
215K94.5Very high93.3Very high131 Ų13163 Ų6357%0.5734%0.342SS*.Hα-helixtrans-62.4-32.5176.7-74.9178.6179.3-176.10113.3L211 L212 I213 F223L211-K215 WeakPolarHBondContact O-CB 3.34Å; L211-K215 VanDerWaalsContact O-CG 3.32Å; L211-K215 WeakPolarHBondContact O-CG 3.5Å; L211-K215 PolarHBondContact O-N 3.01Å; L212-K215 PolarHBondContact O-N 2.98Å; I213-K215 PolarHBondContact O-N 3.28Å; K215-F223 HydrophobicContact CB-CE2 4.49Å; K215-F223 HydrophobicContact CD-CZ 4.46Å; K215-F223 HydrophobicContact CG-CD2 4.28Å; K215-F223 HydrophobicContact CG-CE2 3.54Å; K215-F223 HydrophobicContact CG-CZ 3.69Å
216T92.2Very high93.8Very high107 Ų10758.9 Ų58.966%0.65630%0.304SS*.Hα-helixtrans-81.7-36.3-179.8-58.30000112.8L212 I213 A214L212-T216 PolarHBondContact O-N 2.98Å; L212-T216 VanDerWaalsContact O-N 3.07Å; L212-T216 PolarHBondContact O-OG1 3.35Å; L212-T216 VanDerWaalsContact O-OG1 3.14Å; I213-T216 PolarHBondContact O-N 3.47Å; I213-T216 VanDerWaalsContact O-N 3.16Å; A214-T216 VanDerWaalsContact C-N 3.27Å; A214-T216 PolarHBondContact O-N 3.48Å
217V94.4Very high94.2Very high21 Ų2160.3 Ų60.313%0.12731%0.309CS..Hα-helixtrans-97.6-34.1-170.61760000112.6M177 F180 A184 Q188 I213 A214M177-V217 HydrophobicContact CE-CG2 3.56Å; F180-V217 HydrophobicContact CD1-CG1 4.46Å; F180-V217 HydrophobicContact CD1-CG2 4.49Å; F180-V217 HydrophobicContact CE1-CB 4.41Å; F180-V217 HydrophobicContact CE1-CG1 3.91Å; F180-V217 HydrophobicContact CE1-CG2 4.21Å; F180-V217 HydrophobicContact CZ-CG1 4.48Å; A184-V217 HydrophobicContact CB-CG1 3.25Å; Q188-V217 PolarHBondContact NE2-O 2.55Å; I213-V217 HydrophobicContact CG2-CG2 4.13Å; I213-V217 WeakPolarHBondContact O-CB 3.31Å; I213-V217 WeakPolarHBondContact O-CG2 3.13Å; I213-V217 PolarHBondContact O-N 2.98Å; A214-V217 PolarHBondContact O-N 3.21Å
218L96.5Very high94.3Very high36 Ų3659.4 Ų59.419%0.18831%0.306CS..SBendtrans-87.8137.9-175.1-54.8-177.3000111.3Q188 L198 A214 T222 F223Q188-L218 VanDerWaalsContact OE1-CA 3.3Å; L198-L218 HydrophobicContact CD2-CD1 4.08Å; A214-L218 HydrophobicContact CB-CD1 3.98Å; A214-L218 HydrophobicContact CB-CG 4.43Å; A214-L218 WeakPolarHBondContact O-CB 3.26Å; A214-L218 WeakPolarHBondContact O-CG 3.31Å; A214-L218 PolarHBondContact O-N 2.77Å; L218-T222 HydrophobicContact CB-CG2 4.44Å; L218-T222 HydrophobicContact CD1-CG2 4.32Å; L218-T222 HydrophobicContact CD2-CG2 4.06Å; L218-F223 HydrophobicContact CB-CB 4.12Å
219V95.8Very high94.5Very high51 Ų5152.3 Ų52.331%0.30928%0.276SS..  trans-70.3154.4168.2-62.20000110Q188 R221 T222 F223Q188-V219 HydrophobicContact CB-CG2 4.42Å; V219-R221 VanDerWaalsContact C-N 3.31Å; V219-R221 HydrophobicContact CG2-CG 3.68Å; V219-R221 PolarHBondContact O-N 3.09Å; V219-R221 VanDerWaalsContact O-N 3.15Å; V219-T222 VanDerWaalsContact CG2-OG1 3.3Å; V219-T222 WeakPolarHBondContact CG2-OG1 3.49Å; V219-T222 WeakPolarHBondContact O-CB 3.26Å; V219-T222 PolarHBondContact O-N 3.38Å; V219-F223 PolarHBondContact O-N 2.67Å
220P95.8Very high94.4Very high99 Ų9955.8 Ų55.864%0.64329%0.29SS*.Hα-helixtrans-52.1-43.7-173.1-30.736.2000114.6T222 F223 N224P220-T222 VanDerWaalsContact C-N 3.27Å; P220-T222 PolarHBondContact O-N 3.1Å; P220-F223 PolarHBondContact O-N 2.7Å; P220-N224 WeakPolarHBondContact O-CB 3.49Å; P220-N224 PolarHBondContact O-N 2.81Å; P220-N224 PolarHBondContact O-ND2 2.88Å; P220-N224 PolarHBondContact O-OD1 2.81Å
221R95.5Very high94.1Very high49 Ų4958 Ų5819%0.18532%0.315CS..Hα-helixtrans-60.2-33.4178.168-174.3-172-149.2-1.1113.5G42 Q188 E193 V219 K225G42-R221 PolarHBondContact O-NH1 3.39Å; Q188-R221 PolarHBondContact O-NH2 2.98Å; E193-R221 VanDerWaalsContact OE1-CD 3.3Å; E193-R221 WeakPolarHBondContact OE1-CD 3.32Å; E193-R221 IonicContact OE1-NE 2.82Å; V219-R221 VanDerWaalsContact C-N 3.31Å; V219-R221 HydrophobicContact CG2-CG 3.68Å; V219-R221 PolarHBondContact O-N 3.09Å; V219-R221 VanDerWaalsContact O-N 3.15Å; R221-K225 WeakPolarHBondContact O-CD 3.33Å; R221-K225 WeakPolarHBondContact O-CG 3.32Å
222T97.1Very high93.7Very high21 Ų2160.2 Ų60.213%0.12933%0.334CS..Hα-helixtrans-80.9-44.2177.6-50.30000110.4Q188 L195 L218 V219 P220 N224 K225Q188-T222 PolarHBondContact OE1-OG1 3.45Å; L195-T222 HydrophobicContact CD2-CG2 3.72Å; L218-T222 HydrophobicContact CB-CG2 4.44Å; L218-T222 HydrophobicContact CD1-CG2 4.32Å; L218-T222 HydrophobicContact CD2-CG2 4.06Å; V219-T222 VanDerWaalsContact CG2-OG1 3.3Å; V219-T222 WeakPolarHBondContact CG2-OG1 3.49Å; V219-T222 WeakPolarHBondContact O-CB 3.26Å; V219-T222 PolarHBondContact O-N 3.38Å; P220-T222 VanDerWaalsContact C-N 3.27Å; P220-T222 PolarHBondContact O-N 3.1Å; T222-N224 VanDerWaalsContact C-N 3.27Å; T222-N224 PolarHBondContact O-N 3.37Å; T222-K225 PolarHBondContact O-N 2.94Å; T222-K225 VanDerWaalsContact O-N 3.07Å
223F97.7Very high93.4Very high55 Ų5558.9 Ų58.924%0.24133%0.333CS..Hα-helixtrans-58.8-39.5177.7-177.8-97000111.9L211 A214 K215 L218 V219 P220 K225 M226L211-F223 HydrophobicContact CD1-CE2 4.13Å; L211-F223 HydrophobicContact CD1-CZ 4.01Å; A214-F223 HydrophobicContact CB-CD2 4.04Å; A214-F223 HydrophobicContact CB-CE2 3.99Å; K215-F223 HydrophobicContact CB-CE2 4.49Å; K215-F223 HydrophobicContact CD-CZ 4.46Å; K215-F223 HydrophobicContact CG-CD2 4.28Å; K215-F223 HydrophobicContact CG-CE2 3.54Å; K215-F223 HydrophobicContact CG-CZ 3.69Å; L218-F223 HydrophobicContact CB-CB 4.12Å; V219-F223 PolarHBondContact O-N 2.67Å; P220-F223 PolarHBondContact O-N 2.7Å; F223-K225 PolarHBondContact O-N 2.98Å; F223-M226 HydrophobicContact CD2-SD 4.47Å; F223-M226 HydrophobicContact CE2-SD 4.35Å; F223-M226 WeakPolarHBondContact O-CB 3.32Å; F223-M226 PolarHBondContact O-N 2.87Å
224N97.1Very high93.1Very high120 Ų12058.2 Ų58.264%0.64233%0.333SS*.THydrogen-bonded Turntrans-66.3-18.2178.5-69.4-11.2000113.8P220 T222 M226P220-N224 WeakPolarHBondContact O-CB 3.49Å; P220-N224 PolarHBondContact O-N 2.81Å; P220-N224 PolarHBondContact O-ND2 2.88Å; P220-N224 PolarHBondContact O-OD1 2.81Å; T222-N224 VanDerWaalsContact C-N 3.27Å; T222-N224 PolarHBondContact O-N 3.37Å; N224-M226 VanDerWaalsContact C-N 3.35Å
225K97.5Very high92.7Very high41 Ų4160 Ų6018%0.17834%0.341CS..THydrogen-bonded Turntrans-92.10.5175.5-63.1172.7178.8175.60112.4E193 L195 L198 R221 T222 F223 H227E193-K225 IonicContact OE1-NZ 3.21Å; E193-K225 PolarHBondContact OE1-NZ 2.79Å; E193-K225 IonicContact OE2-NZ 3.13Å; E193-K225 PolarHBondContact OE2-NZ 3.32Å; L195-K225 HydrophobicContact CD2-CB 4.2Å; L195-K225 HydrophobicContact CG-CD 4.49Å; L195-K225 WeakPolarHBondContact O-CD 3.33Å; L195-K225 WeakPolarHBondContact O-CE 3.15Å; L195-K225 PolarHBondContact O-NZ 2.95Å; L198-K225 PolarHBondContact N-O 3.42Å; R221-K225 WeakPolarHBondContact O-CD 3.33Å; R221-K225 WeakPolarHBondContact O-CG 3.32Å; T222-K225 PolarHBondContact O-N 2.94Å; T222-K225 VanDerWaalsContact O-N 3.07Å; F223-K225 PolarHBondContact O-N 2.98Å; K225-H227 PolarHBondContact O-CD2 3.43Å
226M97.6Very high92.4Very high25 Ų2560.2 Ų60.212%0.12334%0.344CS..EExtended strand (participates in β ladder)trans-81.1126.5177.1-171-172.5176.400110.5L198 V200 V210 A214 F223 N224 I228L198-M226 HydrophobicContact CD2-CB 4.26Å; L198-M226 HydrophobicContact CD2-CG 4.08Å; L198-M226 HydrophobicContact CG-CG 4.23Å; L198-M226 CarbonylContact O-C 3.5Å; L198-M226 VanDerWaalsContact O-CA 3.3Å; L198-M226 WeakPolarHBondContact O-CA 3.34Å; V200-M226 HydrophobicContact CB-CE 4.26Å; V200-M226 HydrophobicContact CG2-CE 3.55Å; V200-M226 HydrophobicContact CG2-CG 4.29Å; V210-M226 HydrophobicContact CG1-CE 3.85Å; A214-M226 HydrophobicContact CB-CE 4.02Å; A214-M226 HydrophobicContact CB-SD 3.6Å; F223-M226 HydrophobicContact CD2-SD 4.47Å; F223-M226 HydrophobicContact CE2-SD 4.35Å; F223-M226 WeakPolarHBondContact O-CB 3.32Å; F223-M226 PolarHBondContact O-N 2.87Å; N224-M226 VanDerWaalsContact C-N 3.35Å; M226-I228 HydrophobicContact CE-CD1 3.82Å; M226-I228 HydrophobicContact CE-CG1 3.91Å
227H95.6Very high92.2Very high58 Ų5859.3 Ų59.327%0.26934%0.335SS..EExtended strand (participates in β ladder)trans-122.4122.1176.1-59.8-62.9000109.2L198 Y199 V200 K225 I229L198-H227 PolarHBondContact O-N 2.9Å; Y199-H227 CarbonylContact C-O 3.47Å; Y199-H227 WeakPolarHBondContact CA-O 3.37Å; Y199-H227 HydrophobicContact CD1-CB 3.75Å; Y199-H227 HydrophobicContact CE1-CB 3.94Å; Y199-H227 AromaticContact CE1-CD2 3.48Å; Y199-H227 VanDerWaalsContact CE1-CD2 3.48Å; Y199-H227 WeakPolarHBondContact CE1-CD2 3.34Å; Y199-H227 AromaticContact CE1-CG 3.97Å; Y199-H227 AromaticContact CZ-CD2 3.91Å; V200-H227 PolarHBondContact N-O 2.9Å; K225-H227 PolarHBondContact O-CD2 3.43Å; H227-I229 HydrophobicContact CB-CD1 4.34Å
228I92.8Very high92.2Very high41 Ų4158.4 Ų58.421%0.2133%0.329CS..EExtended strand (participates in β ladder)trans-96.7123.4177.2-52.8177.3000108.5V200 F207 L211 M226 H230V200-I228 HydrophobicContact CB-CG1 4.23Å; V200-I228 HydrophobicContact CB-CG2 4.47Å; V200-I228 HydrophobicContact CG1-CG2 4.27Å; F207-I228 HydrophobicContact CD2-CD1 3.83Å; F207-I228 HydrophobicContact CD2-CG2 3.82Å; F207-I228 HydrophobicContact CE2-CB 4.11Å; F207-I228 HydrophobicContact CE2-CD1 3.23Å; F207-I228 HydrophobicContact CE2-CG1 4.2Å; F207-I228 HydrophobicContact CE2-CG2 3.74Å; F207-I228 HydrophobicContact CZ-CD1 4.08Å; L211-I228 HydrophobicContact CD1-CD1 4Å; M226-I228 HydrophobicContact CE-CD1 3.82Å; M226-I228 HydrophobicContact CE-CG1 3.91Å; I228-H230 VanDerWaalsContact CG2-NE2 3.32Å; I228-H230 WeakPolarHBondContact CG2-NE2 3.38Å
229I94.5Very high92.1Very high24 Ų2460.1 Ų60.112%0.12334%0.338CS..  trans-102.8123.2-173.8-52.1-56.1000108.7Y199 V200 L201 H227 G234 L235 L238Y199-I229 HydrophobicContact CD1-CD1 4.2Å; Y199-I229 HydrophobicContact CD1-CG1 4.43Å; V200-I229 PolarHBondContact O-N 3.07Å; L201-I229 HydrophobicContact CD2-CB 3.45Å; L201-I229 VanDerWaalsContact CD2-CB 3.45Å; L201-I229 HydrophobicContact CD2-CG1 3.46Å; L201-I229 VanDerWaalsContact CD2-CG1 3.46Å; L201-I229 HydrophobicContact CD2-CG2 3.98Å; H227-I229 HydrophobicContact CB-CD1 4.34Å; I229-G234 VanDerWaalsContact CG2-O 3.28Å; I229-G234 WeakPolarHBondContact CG2-O 3.28Å; I229-L235 HydrophobicContact CG2-CD2 4.17Å; I229-L238 HydrophobicContact CD1-CD1 4.29Å; I229-L238 HydrophobicContact CG1-CD1 4.29Å
230H85.8Confident92Very high101 Ų10164 Ų6447%0.46836%0.355SS..  trans-119.9128.7-175-66.4-74.6000111.2F207 I228 G234F207-H230 AromaticContact CD2-CE1 3.63Å; F207-H230 AromaticContact CD2-NE2 3.95Å; F207-H230 AromaticContact CE2-CE1 3.73Å; F207-H230 AromaticContact CE2-NE2 3.56Å; I228-H230 VanDerWaalsContact CG2-NE2 3.32Å; I228-H230 WeakPolarHBondContact CG2-NE2 3.38Å; H230-G234 WeakPolarHBondContact O-CA 3.27Å; H230-G234 PolarHBondContact O-N 3.3Å
231G84.9Confident92Very high56 Ų5663.1 Ų63.158%0.57734%0.341SS*.Hα-helixtrans65-176.1172.600000114.6G234 L235G231-G234 PolarHBondContact O-N 3.36Å; G231-L235 PolarHBondContact O-N 3.16Å; G231-L235 VanDerWaalsContact O-N 3.16Å
232S83.7Confident92.1Very high93 Ų9360.8 Ų60.865%0.6533%0.332SS*.Hα-helixtrans-65.1-38.9-178.548.30000112.9G234 L235 Q236S232-G234 VanDerWaalsContact C-N 3.33Å; S232-G234 PolarHBondContact O-N 2.87Å; S232-L235 PolarHBondContact O-N 2.99Å; S232-Q236 WeakPolarHBondContact O-CG 3.42Å; S232-Q236 PolarHBondContact O-N 3.09Å
233S85.3Confident92.2Very high74 Ų7460.4 Ų60.452%0.51733%0.33SS..Hα-helixtrans-64.3-38175.756.90000112Q236 N237S233-Q236 PolarHBondContact O-N 3.39Å; S233-N237 WeakPolarHBondContact O-CB 3.38Å; S233-N237 VanDerWaalsContact O-CG 3.23Å; S233-N237 PolarHBondContact O-N 3.37Å; S233-N237 PolarHBondContact O-ND2 2.82Å
234G86.8Confident92.2Very high11 Ų1159.7 Ų59.711%0.11334%0.335CS..Hα-helixtrans-61.6-43.7172.800000112.4I229 H230 G231 S232 N237 L238I229-G234 VanDerWaalsContact CG2-O 3.28Å; I229-G234 WeakPolarHBondContact CG2-O 3.28Å; H230-G234 WeakPolarHBondContact O-CA 3.27Å; H230-G234 PolarHBondContact O-N 3.3Å; G231-G234 PolarHBondContact O-N 3.36Å; S232-G234 VanDerWaalsContact C-N 3.33Å; S232-G234 PolarHBondContact O-N 2.87Å; G234-N237 PolarHBondContact O-N 3.3Å; G234-L238 PolarHBondContact O-N 3.14Å; G234-L238 VanDerWaalsContact O-N 3.07Å
235L86.2Confident92.2Very high45 Ų4557.5 Ų57.524%0.23632%0.323CS..Hα-helixtrans-64.9-39.7176.6-69.4175.6000112L201 I229 G231 S232 N237 L238L201-L235 HydrophobicContact CD1-CD2 4.31Å; L201-L235 HydrophobicContact CD2-CD2 4.35Å; I229-L235 HydrophobicContact CG2-CD2 4.17Å; G231-L235 PolarHBondContact O-N 3.16Å; G231-L235 VanDerWaalsContact O-N 3.16Å; S232-L235 PolarHBondContact O-N 2.99Å; L235-N237 VanDerWaalsContact C-N 3.33Å; L235-N237 PolarHBondContact O-N 3.04Å; L235-L238 WeakPolarHBondContact O-CB 3.48Å; L235-L238 PolarHBondContact O-N 3.04Å; L235-L238 VanDerWaalsContact O-N 3.11Å
236Q87.4Confident92.3Very high136 Ų13655.6 Ų55.664%0.63632%0.315SS*.Hα-helixtrans-61.9-42.1173.3-73.2175.1-1.900111.6S232 S233 L238 L239S232-Q236 WeakPolarHBondContact O-CG 3.42Å; S232-Q236 PolarHBondContact O-N 3.09Å; S233-Q236 PolarHBondContact O-N 3.39Å; Q236-L238 PolarHBondContact O-N 3Å; Q236-L239 WeakPolarHBondContact O-CB 3.49Å; Q236-L239 PolarHBondContact O-N 2.71Å; Q236-L239 VanDerWaalsContact O-N 3.16Å
237N89.5Confident92.3Very high89 Ų8954.4 Ų54.448%0.47631%0.309SS..Hα-helixtrans-66-20.3176.2-70.2-17000113.1S233 G234 L235 L239 M240S233-N237 WeakPolarHBondContact O-CB 3.38Å; S233-N237 VanDerWaalsContact O-CG 3.23Å; S233-N237 PolarHBondContact O-N 3.37Å; S233-N237 PolarHBondContact O-ND2 2.82Å; G234-N237 PolarHBondContact O-N 3.3Å; L235-N237 VanDerWaalsContact C-N 3.33Å; L235-N237 PolarHBondContact O-N 3.04Å; N237-L239 PolarHBondContact O-N 2.89Å; N237-M240 HydrophobicContact CB-CE 3.74Å; N237-M240 WeakPolarHBondContact O-CB 3.31Å; N237-M240 PolarHBondContact O-N 3.34Å; N237-M240 WeakPolarHBondContact OD1-CE 3.33Å
238L94.2Very high92.4Very high1 Ų151.6 Ų51.61%0.00530%0.296CS..Hα-helixtrans-64.4-31.5175.4-163.960.2000111.4Y199 L201 I229 G234 L235 Q236 M240 K241 I242 L247Y199-L238 HydrophobicContact CD1-CD1 3.45Å; Y199-L238 VanDerWaalsContact CD1-CD1 3.45Å; Y199-L238 HydrophobicContact CE1-CD1 3.88Å; Y199-L238 HydrophobicContact CG-CD1 3.82Å; L201-L238 HydrophobicContact CD1-CD2 4.39Å; L201-L238 HydrophobicContact CD2-CD2 4.07Å; I229-L238 HydrophobicContact CD1-CD1 4.29Å; I229-L238 HydrophobicContact CG1-CD1 4.29Å; G234-L238 PolarHBondContact O-N 3.14Å; G234-L238 VanDerWaalsContact O-N 3.07Å; L235-L238 WeakPolarHBondContact O-CB 3.48Å; L235-L238 PolarHBondContact O-N 3.04Å; L235-L238 VanDerWaalsContact O-N 3.11Å; Q236-L238 PolarHBondContact O-N 3Å; L238-M240 PolarHBondContact O-N 3.01Å; L238-K241 CarbonylContact O-C 3.46Å; L238-K241 WeakPolarHBondContact O-CA 3.26Å; L238-K241 PolarHBondContact O-N 3.2Å; L238-I242 HydrophobicContact CD1-CD1 3.63Å; L238-I242 HydrophobicContact CD1-CG1 4.05Å; L238-I242 HydrophobicContact CD2-CD1 4.24Å; L238-I242 HydrophobicContact CG-CD1 3.83Å; L238-I242 HydrophobicContact CG-CG1 4.19Å; L238-I242 PolarHBondContact O-N 2.77Å; L238-L247 HydrophobicContact CB-CD2 4.47Å; L238-L247 HydrophobicContact CD2-CD1 3.55Å; L238-L247 HydrophobicContact CD2-CD2 4.05Å; L238-L247 HydrophobicContact CD2-CG 4.48Å; L238-L247 HydrophobicContact CG-CD1 4.25Å; L238-L247 HydrophobicContact CG-CD2 4.27Å
239L93.9Very high92.7Very high72 Ų7254.1 Ų54.138%0.37731%0.309SS..THydrogen-bonded Turntrans-67.4-18.1176.7-69.7172.3000113.7Q236 N237 I242 A244 L247Q236-L239 WeakPolarHBondContact O-CB 3.49Å; Q236-L239 PolarHBondContact O-N 2.71Å; Q236-L239 VanDerWaalsContact O-N 3.16Å; N237-L239 PolarHBondContact O-N 2.89Å; L239-I242 WeakPolarHBondContact CA-O 3.49Å; L239-A244 HydrophobicContact CD2-CB 3.91Å; L239-L247 HydrophobicContact CD2-CD2 3.73Å; L239-L247 HydrophobicContact CG-CD2 4.28Å
240M93.8Very high92.7Very high133 Ų13355.2 Ų55.266%0.65532%0.322SS*.THydrogen-bonded Turntrans-76-16.5169.9-63.2-170.6-73.900112.6N237 L238N237-M240 HydrophobicContact CB-CE 3.74Å; N237-M240 WeakPolarHBondContact O-CB 3.31Å; N237-M240 PolarHBondContact O-N 3.34Å; N237-M240 WeakPolarHBondContact OD1-CE 3.33Å; L238-M240 PolarHBondContact O-N 3.01Å
241K95.8Very high93.2Very high81 Ų8150.6 Ų50.635%0.35230%0.3SS..THydrogen-bonded Turntrans-113.4-26.6-175.6-62.4-170.5169.8-147.70112.9N98 Y199 L238N98-K241 PolarHBondContact ND2-O 3.26Å; Y199-K241 HydrophobicContact CE1-CB 4.26Å; Y199-K241 HydrophobicContact CE1-CD 3.59Å; L238-K241 CarbonylContact O-C 3.46Å; L238-K241 WeakPolarHBondContact O-CA 3.26Å; L238-K241 PolarHBondContact O-N 3.2Å
242I98.2Very high93.7Very high0 Ų050.3 Ų50.30%030%0.297CS..SBendtrans-130.1122.4-177.6-49.7-176.5000108.4N98 V105 T156 I158 Y199 L238 L239 A246 L247N98-I242 VanDerWaalsContact OD1-CA 3.3Å; N98-I242 WeakPolarHBondContact OD1-CA 3.38Å; V105-I242 HydrophobicContact CG2-CG2 4.39Å; T156-I242 HydrophobicContact CG2-CD1 3.62Å; T156-I242 HydrophobicContact CG2-CG1 4.06Å; I158-I242 HydrophobicContact CD1-CD1 3.71Å; I158-I242 HydrophobicContact CG1-CD1 3.98Å; Y199-I242 HydrophobicContact CD2-CD1 3.76Å; Y199-I242 HydrophobicContact CE2-CD1 3.91Å; Y199-I242 HydrophobicContact CE2-CG1 4.2Å; Y199-I242 HydrophobicContact CG-CD1 4.21Å; L238-I242 HydrophobicContact CD1-CD1 3.63Å; L238-I242 HydrophobicContact CD1-CG1 4.05Å; L238-I242 HydrophobicContact CD2-CD1 4.24Å; L238-I242 HydrophobicContact CG-CD1 3.83Å; L238-I242 HydrophobicContact CG-CG1 4.19Å; L238-I242 PolarHBondContact O-N 2.77Å; L239-I242 WeakPolarHBondContact CA-O 3.49Å; I242-A246 HydrophobicContact CG2-CB 4.3Å; I242-L247 HydrophobicContact CD1-CD1 4.37Å; I242-L247 HydrophobicContact CG2-CB 3.99Å; I242-L247 HydrophobicContact CG2-CD1 4.45Å
243S98.1Very high94.3Very high13 Ų1346.1 Ų46.19%0.09127%0.268CS..  trans-58.5142.5177.7610000110.8N98 E99 N245 A246 L247N98-S243 PolarHBondContact OD1-N 2.94Å; E99-S243 PolarHBondContact N-OG 3.14Å; E99-S243 VanDerWaalsContact N-OG 3.07Å; S243-N245 VanDerWaalsContact CB-OD1 3.23Å; S243-N245 WeakPolarHBondContact CB-OD1 3.29Å; S243-N245 PolarHBondContact O-N 2.86Å; S243-N245 PolarHBondContact OG-OD1 3.26Å; S243-A246 CarbonylContact O-C 3.51Å; S243-A246 PolarHBondContact O-N 2.8Å; S243-A246 WeakPolarHBondContact OG-CB 3.49Å; S243-L247 PolarHBondContact O-N 3.21Å; S243-L247 VanDerWaalsContact O-N 3.14Å
244A97.8Very high94.9Very high40 Ų4047 Ų4733%0.33127%0.271SS..G310 helixtrans-56.6-39.1-174.300000112.5L239 A246 L247 T254L239-A244 HydrophobicContact CD2-CB 3.91Å; A244-A246 PolarHBondContact O-N 2.78Å; A244-L247 PolarHBondContact O-N 3.45Å; A244-L247 VanDerWaalsContact O-O 3.07Å; A244-T254 VanDerWaalsContact C-OG1 3.25Å; A244-T254 HydrophobicContact CB-CG2 4.29Å; A244-T254 PolarHBondContact O-N 3.16Å; A244-T254 PolarHBondContact O-OG1 2.78Å
245N97.6Very high95.5Very high74 Ų7446.8 Ų46.840%0.39627%0.267SS..G310 helixtrans-70-11.3178.465.8-19000114.6E99 S243 T254 W255E99-N245 PolarHBondContact OE1-ND2 2.79Å; S243-N245 VanDerWaalsContact CB-OD1 3.23Å; S243-N245 WeakPolarHBondContact CB-OD1 3.29Å; S243-N245 PolarHBondContact O-N 2.86Å; S243-N245 PolarHBondContact OG-OD1 3.26Å; N245-T254 WeakPolarHBondContact CA-OG1 3.34Å; N245-T254 PolarHBondContact N-OG1 2.87Å; N245-W255 WeakPolarHBondContact O-CB 3.37Å
246A98.4Very high96Very high0 Ų047.2 Ų47.20%027%0.272CS..G310 helixtrans-109.8-2.7176.500000112.7V96 I97 N98 V105 I242 S243 A244 W255V96-A246 HydrophobicContact CG1-CB 3.94Å; I97-A246 VanDerWaalsContact O-CB 3.28Å; I97-A246 WeakPolarHBondContact O-CB 3.35Å; N98-A246 HydrophobicContact CB-CB 4.46Å; V105-A246 HydrophobicContact CG2-CB 3.84Å; I242-A246 HydrophobicContact CG2-CB 4.3Å; S243-A246 CarbonylContact O-C 3.51Å; S243-A246 PolarHBondContact O-N 2.8Å; S243-A246 WeakPolarHBondContact OG-CB 3.49Å; A244-A246 PolarHBondContact O-N 2.78Å; A246-W255 VanDerWaalsContact O-CE3 3.31Å
247L98.4Very high96.5Very high0 Ų041.3 Ų41.30%024%0.244CC..SBendtrans-104.8126176.3-176.366.6000109.7I158 L238 L239 I242 S243 A244 Y251 G253 T254 W255I158-L247 HydrophobicContact CD1-CD1 3.61Å; L238-L247 HydrophobicContact CB-CD2 4.47Å; L238-L247 HydrophobicContact CD2-CD1 3.55Å; L238-L247 HydrophobicContact CD2-CD2 4.05Å; L238-L247 HydrophobicContact CD2-CG 4.48Å; L238-L247 HydrophobicContact CG-CD1 4.25Å; L238-L247 HydrophobicContact CG-CD2 4.27Å; L239-L247 HydrophobicContact CD2-CD2 3.73Å; L239-L247 HydrophobicContact CG-CD2 4.28Å; I242-L247 HydrophobicContact CD1-CD1 4.37Å; I242-L247 HydrophobicContact CG2-CB 3.99Å; I242-L247 HydrophobicContact CG2-CD1 4.45Å; S243-L247 PolarHBondContact O-N 3.21Å; S243-L247 VanDerWaalsContact O-N 3.14Å; A244-L247 PolarHBondContact O-N 3.45Å; A244-L247 VanDerWaalsContact O-O 3.07Å; L247-Y251 HydrophobicContact CD1-CD2 4.39Å; L247-G253 CarbonylContact O-C 3.41Å; L247-G253 WeakPolarHBondContact O-CA 3.45Å; L247-T254 PolarHBondContact O-N 3.36Å; L247-W255 WeakPolarHBondContact O-CB 3.16Å; L247-W255 PolarHBondContact O-N 3.39Å
248P98.4Very high96.8Very high0 Ų043.4 Ų43.40%026%0.26CS..BIsolated β-bridgetrans-56.9147.5177.3-27.333.8000113.7V107 A250 Y251 G253 W255 S265 C267V107-P248 HydrophobicContact CG1-CG 4.36Å; V107-P248 HydrophobicContact CG2-CG 3.74Å; P248-A250 PolarHBondContact O-N 3.42Å; P248-Y251 HydrophobicContact CB-CD2 3.83Å; P248-Y251 HydrophobicContact CB-CE2 4.04Å; P248-Y251 HydrophobicContact CG-CD2 3.85Å; P248-Y251 HydrophobicContact CG-CE2 3.92Å; P248-Y251 PolarHBondContact O-N 3.2Å; P248-G253 PolarHBondContact O-N 3.46Å; P248-W255 CarbonylContact C-O 3.59Å; P248-W255 WeakPolarHBondContact CA-O 3.24Å; P248-W255 HydrophobicContact CG-CD2 4.38Å; P248-W255 HydrophobicContact CG-CE3 3.66Å; P248-W255 HydrophobicContact CG-CZ3 3.97Å; P248-S265 VanDerWaalsContact CB-O 3.29Å; P248-S265 WeakPolarHBondContact CB-O 3.27Å; P248-C267 HydrophobicContact CG-CB 4.4Å
249L97.7Very high96.8Very high94 Ų9446.2 Ų46.249%0.49228%0.275SS..G310 helixtrans-53-37.1176.3-178.166.4000112.6Y251 G252 G253 W255 T256 S265L249-Y251 PolarHBondContact O-N 2.91Å; L249-G252 PolarHBondContact O-N 2.89Å; L249-G252 VanDerWaalsContact O-N 3.12Å; L249-G253 WeakPolarHBondContact CA-O 3.3Å; L249-G253 WeakPolarHBondContact CD1-O 3.43Å; L249-W255 PolarHBondContact N-O 2.87Å; L249-T256 HydrophobicContact CB-CG2 3.88Å; L249-T256 HydrophobicContact CD2-CG2 3.95Å; L249-T256 HydrophobicContact CG-CG2 4.49Å; L249-S265 PolarHBondContact N-O 3.26Å; L249-S265 VanDerWaalsContact N-O 3.15Å
250A95.6Very high96.7Very high47 Ų4748.1 Ų48.139%0.38829%0.292SS..G310 helixtrans-59.9-18.1177.300000114.1P248 S265P248-A250 PolarHBondContact O-N 3.42Å; A250-S265 VanDerWaalsContact CB-O 3.32Å; A250-S265 WeakPolarHBondContact CB-O 3.47Å; A250-S265 PolarHBondContact N-O 2.84Å
251Y96.2Very high96.6Very high4 Ų447.5 Ų47.52%0.01629%0.29CS..G310 helixtrans-116.614.6-179-46.7-47.5000112.7V107 Q109 I158 D160 L201 L247 P248 L249V107-Y251 HydrophobicContact CG1-CE2 3.78Å; Q109-Y251 PolarHBondContact NE2-OH 2.9Å; Q109-Y251 VanDerWaalsContact NE2-OH 3.16Å; I158-Y251 HydrophobicContact CG2-CD2 4.4Å; I158-Y251 HydrophobicContact CG2-CE2 4.29Å; D160-Y251 HydrophobicContact CB-CE1 4.1Å; D160-Y251 VanDerWaalsContact CB-OH 3.25Å; D160-Y251 WeakPolarHBondContact CB-OH 3.26Å; D160-Y251 PolarHBondContact OD2-OH 2.91Å; D160-Y251 VanDerWaalsContact OD2-OH 3.12Å; L201-Y251 HydrophobicContact CD1-CD1 3.55Å; L201-Y251 HydrophobicContact CD1-CD2 3.83Å; L201-Y251 HydrophobicContact CD1-CE1 3.99Å; L201-Y251 HydrophobicContact CD1-CE2 4.24Å; L201-Y251 HydrophobicContact CD1-CG 3.49Å; L201-Y251 VanDerWaalsContact CD1-CG 3.49Å; L247-Y251 HydrophobicContact CD1-CD2 4.39Å; P248-Y251 HydrophobicContact CB-CD2 3.83Å; P248-Y251 HydrophobicContact CB-CE2 4.04Å; P248-Y251 HydrophobicContact CG-CD2 3.85Å; P248-Y251 HydrophobicContact CG-CE2 3.92Å; P248-Y251 PolarHBondContact O-N 3.2Å; L249-Y251 PolarHBondContact O-N 2.91Å
252G94.7Very high96.7Very high50 Ų5044.1 Ų44.152%0.51528%0.276SS..THydrogen-bonded Turntrans92.78.2175.800000115.4L249L249-G252 PolarHBondContact O-N 2.89Å; L249-G252 VanDerWaalsContact O-N 3.12Å
253G96.9Very high96.6Very high4 Ų446.7 Ų46.74%0.04129%0.29CS..SBendtrans-92.4-160.9171.600000113.3L247 P248 L249L247-G253 CarbonylContact O-C 3.41Å; L247-G253 WeakPolarHBondContact O-CA 3.45Å; P248-G253 PolarHBondContact O-N 3.46Å; L249-G253 WeakPolarHBondContact CA-O 3.3Å; L249-G253 WeakPolarHBondContact CD1-O 3.43Å
254T97.8Very high96.6Very high93 Ų9350.4 Ų50.457%0.57131%0.312SS*.  trans-122.5-0.4-178.158.80000113.2A244 N245 L247 T256A244-T254 VanDerWaalsContact C-OG1 3.25Å; A244-T254 HydrophobicContact CB-CG2 4.29Å; A244-T254 PolarHBondContact O-N 3.16Å; A244-T254 PolarHBondContact O-OG1 2.78Å; N245-T254 WeakPolarHBondContact CA-OG1 3.34Å; N245-T254 PolarHBondContact N-OG1 2.87Å; L247-T254 PolarHBondContact O-N 3.36Å; T254-T256 PolarHBondContact O-N 3.2Å
255W98.3Very high96.5Very high6 Ų650.6 Ų50.62%0.02331%0.311CS..BIsolated β-bridgetrans-70123.8173.6176.619.2000110.5S91 R93 V96 V105 V107 N245 A246 L247 P248 L249 E257 C267S91-W255 VanDerWaalsContact CB-CH2 3.49Å; R93-W255 HydrophobicContact CB-CZ2 4.26Å; V96-W255 HydrophobicContact CB-CH2 4.27Å; V96-W255 HydrophobicContact CB-CZ2 4.47Å; V96-W255 HydrophobicContact CB-CZ3 4.43Å; V96-W255 HydrophobicContact CG1-CD2 4.05Å; V96-W255 HydrophobicContact CG1-CE3 3.79Å; V96-W255 HydrophobicContact CG1-CH2 4.09Å; V96-W255 HydrophobicContact CG1-CZ2 4.37Å; V96-W255 HydrophobicContact CG1-CZ3 3.8Å; V96-W255 HydrophobicContact CG2-CH2 3.94Å; V96-W255 HydrophobicContact CG2-CZ2 3.68Å; V96-W255 HydrophobicContact CG2-CZ3 4.48Å; V105-W255 HydrophobicContact CG1-CZ3 4.17Å; V107-W255 HydrophobicContact CG2-CE3 4.47Å; V107-W255 HydrophobicContact CG2-CH2 4.01Å; V107-W255 HydrophobicContact CG2-CZ3 3.52Å; N245-W255 WeakPolarHBondContact O-CB 3.37Å; A246-W255 VanDerWaalsContact O-CE3 3.31Å; L247-W255 WeakPolarHBondContact O-CB 3.16Å; L247-W255 PolarHBondContact O-N 3.39Å; P248-W255 CarbonylContact C-O 3.59Å; P248-W255 WeakPolarHBondContact CA-O 3.24Å; P248-W255 HydrophobicContact CG-CD2 4.38Å; P248-W255 HydrophobicContact CG-CE3 3.66Å; P248-W255 HydrophobicContact CG-CZ3 3.97Å; L249-W255 PolarHBondContact N-O 2.87Å; W255-E257 PolarHBondContact NE1-OE1 2.88Å; W255-C267 VanDerWaalsContact CD1-SG 3.57Å; W255-C267 HydrophobicContact CD2-CB 3.96Å; W255-C267 VanDerWaalsContact CE2-CB 3.48Å; W255-C267 VanDerWaalsContact CE2-SG 3.59Å; W255-C267 HydrophobicContact CE3-CB 4.42Å; W255-C267 HydrophobicContact CH2-CB 4.1Å; W255-C267 HydrophobicContact CZ2-CB 3.54Å; W255-C267 HydrophobicContact CZ3-CB 4.5Å; W255-C267 PolarHBondContact O-SG 2.96Å
256T98.2Very high96.5Very high55 Ų5547.1 Ų47.134%0.33729%0.292SS..  trans-130.8158.3171.458.80000111.6R93 L249 T254 V264R93-T256 PolarHBondContact NH2-O 3.35Å; L249-T256 HydrophobicContact CB-CG2 3.88Å; L249-T256 HydrophobicContact CD2-CG2 3.95Å; L249-T256 HydrophobicContact CG-CG2 4.49Å; T254-T256 PolarHBondContact O-N 3.2Å; T256-V264 VanDerWaalsContact CA-O 3.31Å; T256-V264 WeakPolarHBondContact CA-O 3.44Å; T256-V264 WeakPolarHBondContact CB-O 3.31Å
257E97.5Very high96.5Very high11 Ų1147.1 Ų47.15%0.05129%0.292CS..  trans-111.7142.9174.2-67.6-65159.800112.1R93 W255 L262 V264 C267R93-E257 WeakPolarHBondContact CB-OE1 3.07Å; R93-E257 VanDerWaalsContact CZ-CD 3.49Å; R93-E257 IonicContact CZ-OE1 3.72Å; R93-E257 IonicContact CZ-OE2 2.81Å; R93-E257 IonicContact NE-OE1 3.65Å; R93-E257 PolarHBondContact NE-OE1 2.85Å; R93-E257 IonicContact NE-OE2 3.82Å; R93-E257 PolarHBondContact NE-OE2 2.88Å; R93-E257 IonicContact NH2-OE1 2.7Å; R93-E257 PolarHBondContact NH2-OE1 2.57Å; R93-E257 IonicContact NH2-OE2 3.58Å; R93-E257 PolarHBondContact NH2-OE2 3.42Å; W255-E257 PolarHBondContact NE1-OE1 2.88Å; E257-L262 HydrophobicContact CB-CB 3.9Å; E257-L262 HydrophobicContact CB-CD1 4Å; E257-L262 HydrophobicContact CG-CB 4.16Å; E257-L262 HydrophobicContact CG-CD1 3.63Å; E257-V264 PolarHBondContact N-O 2.81Å; E257-C267 HydrophobicContact CG-CB 3.54Å
258T95.6Very high96.5Very high133 Ų13347.1 Ų47.182%0.81629%0.292SS*.  trans-104.6-10.6174.754.60000112.9
259N93.7Very high96.4Very high60 Ų6047.8 Ų47.832%0.32130%0.297SS..  trans-68.8122.8176.8-178.3-19.3000109.7L261 L262N259-L261 PolarHBondContact O-N 3.42Å; N259-L261 WeakPolarHBondContact OD1-CB 3.32Å; N259-L261 PolarHBondContact OD1-N 3.2Å; N259-L262 HydrophobicContact CB-CD1 4.06Å; N259-L262 HydrophobicContact CB-CG 4.05Å; N259-L262 PolarHBondContact O-N 2.76Å
260P93Very high96.2Very high112 Ų11247.7 Ų47.773%0.72730%0.296SS*.THydrogen-bonded Turntrans-64.6-13.8-177.727.1-36.3000114.1L262P260-L262 VanDerWaalsContact C-N 3.28Å
261L91.8Very high96Very high120 Ų12047.3 Ų47.363%0.62829%0.29SS*.THydrogen-bonded Turntrans-82.3-6.5173.8-57.4178.5000113.2N259 L270N259-L261 PolarHBondContact O-N 3.42Å; N259-L261 WeakPolarHBondContact OD1-CB 3.32Å; N259-L261 PolarHBondContact OD1-N 3.2Å; L261-L270 PolarHBondContact O-N 3.22Å; L261-L270 VanDerWaalsContact O-N 3.16Å
262L96.1Very high95.8Very high11 Ų1152.5 Ų52.56%0.05831%0.313CS..BIsolated β-bridgetrans-114.3149.5179-54.8-177.6000110.1E257 N259 P260 V264 C268 T269E257-L262 HydrophobicContact CB-CB 3.9Å; E257-L262 HydrophobicContact CB-CD1 4Å; E257-L262 HydrophobicContact CG-CB 4.16Å; E257-L262 HydrophobicContact CG-CD1 3.63Å; N259-L262 HydrophobicContact CB-CD1 4.06Å; N259-L262 HydrophobicContact CB-CG 4.05Å; N259-L262 PolarHBondContact O-N 2.76Å; P260-L262 VanDerWaalsContact C-N 3.28Å; L262-V264 PolarHBondContact O-N 3.47Å; L262-C268 CarbonylContact C-O 3.6Å; L262-C268 WeakPolarHBondContact CA-O 3.47Å; L262-T269 HydrophobicContact CD2-CG2 3.67Å
263N97.1Very high95.5Very high54 Ų5453.6 Ų53.629%0.28931%0.311SS..  trans-72.1127.1168.4-175.5-78.1000109.6S265 S266 C267 C268 L270N263-S265 VanDerWaalsContact C-N 3.25Å; N263-S265 PolarHBondContact O-N 3.09Å; N263-S265 PolarHBondContact OD1-N 2.92Å; N263-S265 PolarHBondContact OD1-OG 2.94Å; N263-S266 WeakPolarHBondContact CB-OG 3.38Å; N263-S266 PolarHBondContact OD1-N 2.77Å; N263-C267 VanDerWaalsContact O-CA 3.22Å; N263-C267 WeakPolarHBondContact O-CA 3.2Å; N263-C267 PolarHBondContact O-N 3.26Å; N263-C268 PolarHBondContact N-O 3.44Å; N263-L270 HydrophobicContact CB-CD2 4.04Å
264V97.4Very high95.2Very high90 Ų9054.5 Ų54.555%0.54532%0.315SS..THydrogen-bonded Turntrans-57-38.3-176.91790000112.7T256 E257 L262T256-V264 VanDerWaalsContact CA-O 3.31Å; T256-V264 WeakPolarHBondContact CA-O 3.44Å; T256-V264 WeakPolarHBondContact CB-O 3.31Å; E257-V264 PolarHBondContact N-O 2.81Å; L262-V264 PolarHBondContact O-N 3.47Å
265S97.3Very high94.7Very high44 Ų4454.2 Ų54.231%0.30832%0.322SS..THydrogen-bonded Turntrans-92.9-37.2-171.368.20000114P248 L249 A250 N263P248-S265 VanDerWaalsContact CB-O 3.29Å; P248-S265 WeakPolarHBondContact CB-O 3.27Å; L249-S265 PolarHBondContact N-O 3.26Å; L249-S265 VanDerWaalsContact N-O 3.15Å; A250-S265 VanDerWaalsContact CB-O 3.32Å; A250-S265 WeakPolarHBondContact CB-O 3.47Å; A250-S265 PolarHBondContact N-O 2.84Å; N263-S265 VanDerWaalsContact C-N 3.25Å; N263-S265 PolarHBondContact O-N 3.09Å; N263-S265 PolarHBondContact OD1-N 2.92Å; N263-S265 PolarHBondContact OD1-OG 2.94Å
266S97.3Very high94.3Very high2 Ų260.4 Ų60.41%0.01435%0.351CS..THydrogen-bonded Turntrans-93.5-11.1178.571.70000113.5Q109 N263 C268Q109-S266 PolarHBondContact OE1-OG 3.31Å; N263-S266 WeakPolarHBondContact CB-OG 3.38Å; N263-S266 PolarHBondContact OD1-N 2.77Å; S266-C268 PolarHBondContact O-N 2.92Å; S266-C268 VanDerWaalsContact O-N 3.1Å; S266-C268 PolarHBondContact O-SG 2.97Å
267C98.3Very high93.9Very high0 Ų058.2 Ų58.20%034%0.338CS..  trans62.310.3-178.4-51.70000114.8S91 P248 W255 E257 N263S91-C267 WeakPolarHBondContact CA-O 3.29Å; P248-C267 HydrophobicContact CG-CB 4.4Å; W255-C267 VanDerWaalsContact CD1-SG 3.57Å; W255-C267 HydrophobicContact CD2-CB 3.96Å; W255-C267 VanDerWaalsContact CE2-CB 3.48Å; W255-C267 VanDerWaalsContact CE2-SG 3.59Å; W255-C267 HydrophobicContact CE3-CB 4.42Å; W255-C267 HydrophobicContact CH2-CB 4.1Å; W255-C267 HydrophobicContact CZ2-CB 3.54Å; W255-C267 HydrophobicContact CZ3-CB 4.5Å; W255-C267 PolarHBondContact O-SG 2.96Å; E257-C267 HydrophobicContact CG-CB 3.54Å; N263-C267 VanDerWaalsContact O-CA 3.22Å; N263-C267 WeakPolarHBondContact O-CA 3.2Å; N263-C267 PolarHBondContact O-N 3.26Å
268C98.1Very high93.4Very high0 Ų062.5 Ų62.50%037%0.367CS..BIsolated β-bridgetrans-97.1155.5-178.5-65.60000112.8R89 M90 V107 Q109 L262 N263 S266R89-C268 HydrophobicContact CB-CB 4.32Å; M90-C268 CarbonylContact O-C 3.47Å; M90-C268 WeakPolarHBondContact O-CA 3.48Å; V107-C268 VanDerWaalsContact CG1-SG 3.59Å; Q109-C268 HydrophobicContact CG-CB 4.3Å; L262-C268 CarbonylContact C-O 3.6Å; L262-C268 WeakPolarHBondContact CA-O 3.47Å; N263-C268 PolarHBondContact N-O 3.44Å; S266-C268 PolarHBondContact O-N 2.92Å; S266-C268 VanDerWaalsContact O-N 3.1Å; S266-C268 PolarHBondContact O-SG 2.97Å
269T96.9Very high92.8Very high14 Ų1464.9 Ų64.99%0.08637%0.368CS..BIsolated β-bridgetrans-54.3145.4172.848.10000113.2L85 I88 R89 M90 T92 L262L85-T269 HydrophobicContact CD1-CG2 3.97Å; L85-T269 HydrophobicContact CD2-CG2 4.47Å; L85-T269 HydrophobicContact CG-CG2 4.07Å; I88-T269 PolarHBondContact O-OG1 2.8Å; R89-T269 WeakPolarHBondContact CA-OG1 3.29Å; M90-T269 PolarHBondContact N-OG1 3.42Å; M90-T269 PolarHBondContact O-N 3.33Å; M90-T269 PolarHBondContact O-OG1 2.88Å; T92-T269 HydrophobicContact CG2-CG2 3.73Å; L262-T269 HydrophobicContact CD2-CG2 3.67Å
270L92.5Very high92.5Very high91 Ų9164.7 Ų64.748%0.47636%0.364SS..PPolyproline II helixtrans-81.1119.5171.5-58.6177.3000109.7L261 N263 K272L261-L270 PolarHBondContact O-N 3.22Å; L261-L270 VanDerWaalsContact O-N 3.16Å; N263-L270 HydrophobicContact CB-CD2 4.04Å; L270-K272 PolarHBondContact O-N 3.29Å
271C90.8Very high92.3Very high40 Ų4067.7 Ų67.727%0.2737%0.365SS..PPolyproline II helixtrans-71121.6-179.6-171.50000110.6Y87 R89Y87-C271 PolarHBondContact O-SG 3.12Å; Y87-C271 VanDerWaalsContact O-SG 3.34Å; R89-C271 HydrophobicContact CG-CB 3.88Å
272K91.9Very high92.2Very high113 Ų11363.6 Ų63.649%0.49135%0.349SS..PPolyproline II helixtrans-69.6148.3169.6-64.7-172.9-176.6178.90110.2P86 Y87 L270 L274P86-K272 HydrophobicContact CB-CD 3.99Å; P86-K272 HydrophobicContact CB-CG 4.35Å; P86-K272 WeakPolarHBondContact O-CB 3.22Å; P86-K272 PolarHBondContact O-N 3.02Å; Y87-K272 HydrophobicContact CD1-CB 4.25Å; Y87-K272 HydrophobicContact CE1-CB 4.2Å; L270-K272 PolarHBondContact O-N 3.29Å; K272-L274 PolarHBondContact O-N 3.38Å
273P90Very high92Very high73 Ų7366.3 Ų66.347%0.47436%0.36SS..PPolyproline II helixtrans-58.3129.1172.5-23.433.7000111.1A275 Q276P273-A275 PolarHBondContact O-N 2.73Å; P273-A275 VanDerWaalsContact O-N 3.1Å; P273-Q276 HydrophobicContact CB-CG 4.32Å; P273-Q276 WeakPolarHBondContact O-CB 3.26Å; P273-Q276 PolarHBondContact O-N 3.34Å
274L89.9Confident91.8Very high23 Ų2375.6 Ų75.612%0.1239%0.391CS..G310 helixtrans-60-23.3178.5-72.7167.5000113.4Y87 D114 R117 F118 V121 K272 Q276 A277Y87-L274 HydrophobicContact CD1-CD2 3.87Å; Y87-L274 HydrophobicContact CG-CD2 3.99Å; D114-L274 HydrophobicContact CB-CD1 4.04Å; D114-L274 VanDerWaalsContact O-CD1 3.25Å; D114-L274 WeakPolarHBondContact O-CD1 3.5Å; R117-L274 HydrophobicContact CB-CD1 3.85Å; F118-L274 HydrophobicContact CB-CD1 4.13Å; F118-L274 HydrophobicContact CB-CD2 4.45Å; F118-L274 HydrophobicContact CD2-CD2 4.04Å; V121-L274 HydrophobicContact CB-CD2 4.42Å; V121-L274 HydrophobicContact CG1-CD2 4.39Å; V121-L274 HydrophobicContact CG2-CD2 4.37Å; K272-L274 PolarHBondContact O-N 3.38Å; L274-Q276 PolarHBondContact O-N 3.11Å; L274-A277 VanDerWaalsContact O-CB 3.24Å; L274-A277 WeakPolarHBondContact O-CB 3.16Å; L274-A277 PolarHBondContact O-N 2.97Å; L274-A277 VanDerWaalsContact O-N 3.07Å
275A88.2Confident91.8Very high87 Ų8772.4 Ų72.472%0.71937%0.371SS*.G310 helixtrans-64.2-20.2173.900000113.5P273 A277P273-A275 PolarHBondContact O-N 2.73Å; P273-A275 VanDerWaalsContact O-N 3.1Å; A275-A277 VanDerWaalsContact C-N 3.32Å
276Q88.4Confident91.8Very high135 Ų13575.4 Ų75.463%0.63139%0.389SS*.G310 helixtrans-88.3-3.4175.7-62.3176.1400112.4P273 L274P273-Q276 HydrophobicContact CB-CG 4.32Å; P273-Q276 WeakPolarHBondContact O-CB 3.26Å; P273-Q276 PolarHBondContact O-N 3.34Å; L274-Q276 PolarHBondContact O-N 3.11Å
277A89.3Confident91.8Very high9 Ų978.8 Ų78.87%0.07441%0.407CS..SBendtrans-71.2147.3179.800000111.5Y87 V121 L274 A275 H279Y87-A277 HydrophobicContact CE1-CB 3.73Å; Y87-A277 HydrophobicContact CE2-CB 4.31Å; Y87-A277 WeakPolarHBondContact OH-CA 3.36Å; Y87-A277 WeakPolarHBondContact OH-CB 3.34Å; V121-A277 HydrophobicContact CB-CB 4.27Å; V121-A277 HydrophobicContact CG1-CB 3.19Å; V121-A277 HydrophobicContact CG2-CB 4.03Å; L274-A277 VanDerWaalsContact O-CB 3.24Å; L274-A277 WeakPolarHBondContact O-CB 3.16Å; L274-A277 PolarHBondContact O-N 2.97Å; L274-A277 VanDerWaalsContact O-N 3.07Å; A275-A277 VanDerWaalsContact C-N 3.32Å; A277-H279 PolarHBondContact O-N 2.95Å
278P87.3Confident91.8Very high102 Ų10283.3 Ų83.366%0.66244%0.439SS*.PPolyproline II helixtrans-56.1136.3175.6-2433.6000111.2Y280P278-Y280 PolarHBondContact O-N 3.01Å
279H84Confident91.7Very high182 Ų18285.6 Ų85.684%0.84346%0.455SS*.PPolyproline II helixtrans-64.5124.7175.2-80.867000109.8A277 K281A277-H279 PolarHBondContact O-N 2.95Å; H279-K281 PolarHBondContact O-N 3.03Å
280Y86.3Confident91.8Very high56 Ų5687.8 Ų87.822%0.2247%0.474CS..PPolyproline II helixtrans-69.3122.3174-169.1-91.9000110P278 F351 P352 Q354P278-Y280 PolarHBondContact O-N 3.01Å; Y280-F351 AromaticContact CD1-CD2 3.27Å; Y280-F351 HydrophobicContact CD1-CD2 3.27Å; Y280-F351 AromaticContact CD1-CE2 3.52Å; Y280-F351 HydrophobicContact CD1-CE2 3.52Å; Y280-F351 HydrophobicContact CD1-CG 4.08Å; Y280-F351 HydrophobicContact CD1-CZ 4.48Å; Y280-F351 HydrophobicContact CD2-CD2 4.19Å; Y280-F351 AromaticContact CD2-CE2 3.58Å; Y280-F351 HydrophobicContact CD2-CE2 3.58Å; Y280-F351 AromaticContact CD2-CZ 3.94Å; Y280-F351 HydrophobicContact CD2-CZ 3.94Å; Y280-F351 AromaticContact CE1-CD2 3.79Å; Y280-F351 HydrophobicContact CE1-CD2 3.79Å; Y280-F351 HydrophobicContact CE1-CE2 4.17Å; Y280-F351 HydrophobicContact CE1-CG 4.15Å; Y280-F351 HydrophobicContact CE2-CE2 4.24Å; Y280-F351 HydrophobicContact CE2-CZ 4.36Å; Y280-F351 AromaticContact CG-CD2 3.49Å; Y280-F351 HydrophobicContact CG-CD2 3.49Å; Y280-F351 VanDerWaalsContact CG-CD2 3.49Å; Y280-F351 AromaticContact CG-CE2 3.16Å; Y280-F351 HydrophobicContact CG-CE2 3.16Å; Y280-F351 HydrophobicContact CG-CZ 4Å; Y280-P352 PolarHBondContact OH-O 2.85Å; Y280-Q354 VanDerWaalsContact OH-CD 3.22Å; Y280-Q354 WeakPolarHBondContact OH-CG 2.99Å; Y280-Q354 PolarHBondContact OH-NE2 2.76Å
281K89.3Confident92.1Very high176 Ų17684.7 Ų84.777%0.76546%0.459SS*.  trans-118.6114.9176.8-170.3174.9-178.5178.20109.2H279 K283 Q354H279-K281 PolarHBondContact O-N 3.03Å; K281-K283 PolarHBondContact O-N 2.94Å; K281-Q354 PolarHBondContact O-NE2 3.17Å
282A90Very high92.4Very high33 Ų3387.2 Ų87.227%0.27347%0.473SS..  trans-59.8126.1172.300000109.9P352A282-P352 HydrophobicContact CB-CG 3.78Å
283K92.3Very high92.7Very high68 Ų6882 Ų8230%0.29645%0.451SS..  trans-69.7134.3175.8-69.3-176.8-179.7-172.10109.6K281 L285K281-K283 PolarHBondContact O-N 2.94Å; K283-L285 HydrophobicContact CB-CD2 4.14Å; K283-L285 HydrophobicContact CB-CG 4.32Å
284R92.8Very high93Very high250 Ų25085.3 Ų85.394%0.94346%0.458SS*.  trans-97.7110.4168.3-65-175.2-178.7-174.40.2107.9
285L97.3Very high93.2Very high22 Ų2286.3 Ų86.312%0.11547%0.466CS..  trans-106.4148.2179.8-53.7178.4000109.2K283 L312 C314 A386K283-L285 HydrophobicContact CB-CD2 4.14Å; K283-L285 HydrophobicContact CB-CG 4.32Å; L285-L312 HydrophobicContact CD1-CB 4Å; L285-L312 HydrophobicContact CD2-CB 4.08Å; L285-L312 HydrophobicContact CD2-CD2 4.14Å; L285-C314 HydrophobicContact CD1-CB 4.01Å; L285-A386 HydrophobicContact CB-CB 4.37Å; L285-A386 HydrophobicContact CD2-CB 4.09Å
286P96.8Very high93.2Very high108 Ų10884.8 Ų84.870%0.70145%0.45SS*.SBendtrans-71.3-35.2-168.726.8-34.3000113.4A386P286-A386 HydrophobicContact CG-CB 4.28Å
287N97.8Very high93.6Very high72 Ų7282.6 Ų82.639%0.38544%0.443SS..EExtended strand (participates in β ladder)trans-92.3129.8178.1-51.8-79.2000109.4S384 W385N287-S384 CarbonylContact O-C 3.6Å; N287-S384 WeakPolarHBondContact O-CA 3.47Å; N287-S384 WeakPolarHBondContact O-CB 3.41Å; N287-W385 HydrophobicContact CB-CD2 3.67Å; N287-W385 HydrophobicContact CB-CE3 4.03Å; N287-W385 HydrophobicContact CB-CG 4.23Å; N287-W385 HydrophobicContact CB-CH2 3.78Å; N287-W385 HydrophobicContact CB-CZ2 3.38Å; N287-W385 HydrophobicContact CB-CZ3 4.09Å; N287-W385 WeakPolarHBondContact CB-O 3.13Å; N287-W385 PolarHBondContact N-O 3.03Å; N287-W385 PolarHBondContact ND2-O 2.84Å; N287-W385 PolarHBondContact O-N 3.12Å
288S97.1Very high93.9Very high95 Ų9585.8 Ų85.866%0.66446%0.458SS*.EExtended strand (participates in β ladder)trans-137.7153.9178.365.40000111.9Y383S288-Y383 CarbonylContact C-O 3.54Å; S288-Y383 WeakPolarHBondContact CA-O 3.24Å
289S97.9Very high94.4Very high48 Ų4883.3 Ų83.334%0.33644%0.437SS..EExtended strand (participates in β ladder)trans-154.9157.7174.8-171.50000110.5Y383S289-Y383 PolarHBondContact N-O 3.42Å; S289-Y383 PolarHBondContact O-N 3.39Å; S289-Y383 VanDerWaalsContact O-O 3.11Å
290A98.2Very high95Very high60 Ų6076.9 Ų76.950%0.49641%0.409SS..EExtended strand (participates in β ladder)trans-126.5129.5173.100000108.8V381 H382A290-V381 CarbonylContact C-O 3.54Å; A290-V381 VanDerWaalsContact CA-O 3.32Å; A290-V381 WeakPolarHBondContact CA-O 3.34Å; A290-H382 WeakPolarHBondContact CB-ND1 3.3Å
291V98.2Very high95.6Very high26 Ų2679.3 Ų79.316%0.15842%0.417CS..EExtended strand (participates in β ladder)trans-131.8151-177.4-65.20000111.5I293 H299 K380 V381 Y383V291-I293 HydrophobicContact CG2-CD1 4.24Å; V291-I293 HydrophobicContact CG2-CG1 4.15Å; V291-H299 HydrophobicContact CG2-CB 4.29Å; V291-K380 CarbonylContact O-C 3.49Å; V291-K380 WeakPolarHBondContact O-CA 3.39Å; V291-V381 HydrophobicContact CG2-CB 3.95Å; V291-V381 PolarHBondContact N-O 3.38Å; V291-V381 PolarHBondContact O-N 2.84Å; V291-Y383 HydrophobicContact CG1-CE1 4.11Å; V291-Y383 HydrophobicContact CG2-CD1 4.43Å; V291-Y383 HydrophobicContact CG2-CE1 4.11Å
292T98.1Very high95.9Very high93 Ų9378.3 Ų78.357%0.57141%0.409SS*.EExtended strand (participates in β ladder)trans-112120.9175.7-62.50000108.5V378 I379T292-V378 HydrophobicContact CG2-CG1 3.14Å; T292-I379 CarbonylContact C-O 3.59Å; T292-I379 WeakPolarHBondContact CA-O 3.48Å
293I97.8Very high96.2Very high5 Ų577.4 Ų77.43%0.02640%0.4CS..EExtended strand (participates in β ladder)trans-114.9113.4-173.6-46178.1000109V291 N297 H299 F369 N371 I379 V381V291-I293 HydrophobicContact CG2-CD1 4.24Å; V291-I293 HydrophobicContact CG2-CG1 4.15Å; I293-N297 HydrophobicContact CG2-CB 4.17Å; I293-N297 VanDerWaalsContact CG2-O 3.26Å; I293-N297 WeakPolarHBondContact CG2-O 3.33Å; I293-H299 HydrophobicContact CD1-CB 3.81Å; I293-H299 HydrophobicContact CG1-CB 4.12Å; I293-F369 HydrophobicContact CD1-CB 3.58Å; I293-N371 HydrophobicContact CB-CB 4.35Å; I293-N371 HydrophobicContact CG2-CB 3.82Å; I293-N371 PolarHBondContact O-ND2 2.81Å; I293-I379 HydrophobicContact CB-CD1 4.34Å; I293-I379 HydrophobicContact CB-CG1 3.84Å; I293-I379 HydrophobicContact CD1-CD1 4.43Å; I293-I379 HydrophobicContact CG1-CG1 4.47Å; I293-I379 PolarHBondContact N-O 2.81Å; I293-I379 PolarHBondContact O-N 3.45Å; I293-I379 VanDerWaalsContact O-N 3.08Å; I293-V381 HydrophobicContact CD1-CG2 3.82Å; I293-V381 HydrophobicContact CG1-CG2 4.48Å
294K95.9Very high96.3Very high141 Ų14182.2 Ų82.261%0.61342%0.421SS*.  trans-65.2157.6176.2-66.2-178.2-179.1179.30111.3S296 N297 N371K294-S296 PolarHBondContact O-N 2.99Å; K294-N297 HydrophobicContact CB-CB 4.36Å; K294-N297 WeakPolarHBondContact O-CB 3.34Å; K294-N297 PolarHBondContact O-N 3.35Å; K294-N297 VanDerWaalsContact O-N 3.1Å; K294-N371 VanDerWaalsContact O-CB 3.3Å; K294-N371 WeakPolarHBondContact O-CB 3.48Å; K294-N371 PolarHBondContact O-ND2 3Å
295P93.4Very high96.5Very high44 Ų4470.4 Ų70.429%0.28638%0.376SS..THydrogen-bonded Turntrans-45.9136.2171.9-34.440000113.3N297 S375P295-N297 PolarHBondContact O-N 3.16Å; P295-N297 PolarHBondContact O-OD1 2.94Å; P295-S375 WeakPolarHBondContact CB-O 3.3Å
296S89Confident96.4Very high56 Ų5674.5 Ų74.539%0.39240%0.398SS..THydrogen-bonded Turntrans59.33.7-178-65.70000117K294 H373K294-S296 PolarHBondContact O-N 2.99Å; S296-H373 PolarHBondContact OG-ND1 2.99Å
297N96.1Very high96.4Very high89 Ų8977 Ų7748%0.47640%0.398SS..  trans-91.9167.4173-74.226.3000111.5I293 K294 P295 N371I293-N297 HydrophobicContact CG2-CB 4.17Å; I293-N297 VanDerWaalsContact CG2-O 3.26Å; I293-N297 WeakPolarHBondContact CG2-O 3.33Å; K294-N297 HydrophobicContact CB-CB 4.36Å; K294-N297 WeakPolarHBondContact O-CB 3.34Å; K294-N297 PolarHBondContact O-N 3.35Å; K294-N297 VanDerWaalsContact O-N 3.1Å; P295-N297 PolarHBondContact O-N 3.16Å; P295-N297 PolarHBondContact O-OD1 2.94Å; N297-N371 PolarHBondContact O-N 2.91Å
298L96.3Very high96.3Very high75 Ų7576 Ų7639%0.39340%0.404SS..EExtended strand (participates in β ladder)trans-129.6158.8176.96688.4000111I300 F369 R370L298-I300 HydrophobicContact CD1-CD1 3.45Å; L298-I300 VanDerWaalsContact CD1-CD1 3.45Å; L298-I300 HydrophobicContact CD1-CG1 3.65Å; L298-F369 CarbonylContact C-O 3.45Å; L298-F369 VanDerWaalsContact CA-O 3.27Å; L298-F369 WeakPolarHBondContact CA-O 3.23Å; L298-R370 HydrophobicContact CB-CB 4.1Å; L298-R370 HydrophobicContact CB-CG 4.34Å
299H97.9Very high96.4Very high50 Ų5073.7 Ų73.723%0.23138%0.383CS..EExtended strand (participates in β ladder)trans-126.7135.8167.1177.166.1000108.9V291 I293 F369 Y383V291-H299 HydrophobicContact CG2-CB 4.29Å; I293-H299 HydrophobicContact CD1-CB 3.81Å; I293-H299 HydrophobicContact CG1-CB 4.12Å; H299-F369 PolarHBondContact N-O 2.89Å; H299-F369 PolarHBondContact O-N 2.85Å; H299-Y383 AromaticContact NE2-CE1 3.81Å; H299-Y383 AromaticContact NE2-CZ 3.64Å; H299-Y383 PolarHBondContact NE2-OH 3.02Å
300I97.2Very high96.3Very high48 Ų4875.4 Ų75.425%0.24638%0.382CS..EExtended strand (participates in β ladder)trans-124.6127.7178.5-68.6160.2000109.3L298 R302 Y326 A366 I367 E368L298-I300 HydrophobicContact CD1-CD1 3.45Å; L298-I300 VanDerWaalsContact CD1-CD1 3.45Å; L298-I300 HydrophobicContact CD1-CG1 3.65Å; I300-R302 HydrophobicContact CG2-CG 4.09Å; I300-Y326 WeakPolarHBondContact CD1-OH 3.19Å; I300-A366 HydrophobicContact CG2-CB 3.76Å; I300-I367 WeakPolarHBondContact CA-O 3.24Å; I300-E368 HydrophobicContact CG1-CB 4.22Å; I300-E368 HydrophobicContact CG1-CG 4.08Å
301R97.6Very high96.4Very high106 Ų10672.6 Ų72.640%0.436%0.359SS..EExtended strand (participates in β ladder)trans-102.1112.7163.7-177.959.1177.2-178.94.1109.9V303 I367 Y383 W385R301-V303 HydrophobicContact CG-CG2 4.11Å; R301-I367 HydrophobicContact CB-CB 4.33Å; R301-I367 PolarHBondContact N-O 2.93Å; R301-I367 PolarHBondContact O-N 2.91Å; R301-Y383 HydrophobicContact CB-CE2 3.88Å; R301-Y383 HydrophobicContact CG-CE2 4.1Å; R301-W385 HydrophobicContact CG-CD2 4.28Å; R301-W385 HydrophobicContact CG-CE3 4.35Å; R301-W385 HydrophobicContact CG-CH2 4.32Å; R301-W385 HydrophobicContact CG-CZ2 4.25Å; R301-W385 HydrophobicContact CG-CZ3 4.36Å; R301-W385 VanDerWaalsContact CZ-CZ2 3.47Å; R301-W385 VanDerWaalsContact NH2-CZ2 3.3Å
302R95.9Very high96.4Very high156 Ų15671.7 Ų71.759%0.58935%0.353SS*.EExtended strand (participates in β ladder)trans-83.1136.4171.6-77.8163.9174.31514111I300 E364 Y365I300-R302 HydrophobicContact CG2-CG 4.09Å; R302-E364 HydrophobicContact CB-CG 3.85Å; R302-E364 WeakPolarHBondContact CD-OE1 3.4Å; R302-E364 HydrophobicContact CG-CG 4.02Å; R302-E364 IonicContact NE-OE1 3.02Å; R302-E364 PolarHBondContact NE-OE1 2.66Å; R302-Y365 CarbonylContact C-O 3.58Å; R302-Y365 WeakPolarHBondContact CA-O 3.41Å
303V95.8Very high96.4Very high13 Ų1367.8 Ų67.88%0.07933%0.328CS..EExtended strand (participates in β ladder)trans-137.3123.2-178.3-171.40000108.2R301 I305 L311 Y365 I367 W385 V387R301-V303 HydrophobicContact CG-CG2 4.11Å; V303-I305 HydrophobicContact CB-CD1 4.46Å; V303-I305 HydrophobicContact CB-CG1 4.4Å; V303-I305 HydrophobicContact CG1-CD1 4.19Å; V303-I305 HydrophobicContact CG1-CG1 3.93Å; V303-L311 HydrophobicContact CG1-CD1 4.46Å; V303-Y365 PolarHBondContact N-O 3.43Å; V303-Y365 PolarHBondContact O-N 3.09Å; V303-I367 HydrophobicContact CG2-CD1 4.34Å; V303-W385 HydrophobicContact CG2-CG 4.49Å; V303-V387 HydrophobicContact CG1-CG2 3.39Å
304K95.2Very high96.4Very high170 Ų17067.6 Ų67.674%0.73933%0.327SS*.EExtended strand (participates in β ladder)trans-80.4129.9173.2-66.9-175.8-179.6-178.80109.4
305I96.1Very high96.5Very high2 Ų261 Ų611%0.0130%0.298CS..EExtended strand (participates in β ladder)trans-137.6136-173.7-52.5-175.5000109.2V303 Q309 L311 C359 A362 G363 Y365 V387V303-I305 HydrophobicContact CB-CD1 4.46Å; V303-I305 HydrophobicContact CB-CG1 4.4Å; V303-I305 HydrophobicContact CG1-CD1 4.19Å; V303-I305 HydrophobicContact CG1-CG1 3.93Å; I305-Q309 HydrophobicContact CG2-CB 3.62Å; I305-L311 HydrophobicContact CD1-CB 3.68Å; I305-L311 HydrophobicContact CD1-CD1 3.9Å; I305-L311 HydrophobicContact CD1-CD2 3.92Å; I305-L311 HydrophobicContact CD1-CG 4.04Å; I305-C359 HydrophobicContact CB-CB 4.48Å; I305-C359 HydrophobicContact CG2-CB 3.65Å; I305-A362 CarbonylContact O-C 3.53Å; I305-A362 VanDerWaalsContact O-CA 3.27Å; I305-A362 WeakPolarHBondContact O-CA 3.38Å; I305-G363 PolarHBondContact N-O 3.37Å; I305-G363 PolarHBondContact O-N 2.85Å; I305-Y365 HydrophobicContact CB-CD2 3.78Å; I305-Y365 HydrophobicContact CB-CE2 3.95Å; I305-Y365 HydrophobicContact CD1-CD2 3.81Å; I305-Y365 HydrophobicContact CD1-CG 3.97Å; I305-Y365 HydrophobicContact CG1-CD2 3.91Å; I305-V387 HydrophobicContact CD1-CG2 4.11Å; I305-V387 HydrophobicContact CG1-CG1 4.26Å; I305-V387 HydrophobicContact CG1-CG2 3.92Å; I305-V387 HydrophobicContact CG2-CG1 3.92Å
306N96.7Very high96.8Very high107 Ų10759.2 Ų59.257%0.57229%0.287SS*.  trans-84.8157174.2-62.6-45.3000111.2G308 Q309N306-G308 PolarHBondContact O-N 3.4Å; N306-Q309 HydrophobicContact CB-CG 4.19Å; N306-Q309 WeakPolarHBondContact O-CB 3.36Å; N306-Q309 PolarHBondContact O-N 2.98Å
307K95.9Very high97.2Very high161 Ų16157 Ų5770%0.727%0.272SS*.THydrogen-bonded Turntrans-55.9132.1175.4171.8169.7-176.1-175.20110.6Q309 E360 A362K307-Q309 VanDerWaalsContact C-N 3.32Å; K307-E360 WeakPolarHBondContact CD-O 3.2Å; K307-E360 WeakPolarHBondContact CE-O 3.32Å; K307-E360 VanDerWaalsContact CG-O 3.28Å; K307-E360 WeakPolarHBondContact CG-O 3.27Å; K307-A362 HydrophobicContact CB-CB 4.5Å
308G96.3Very high97.2Very high50 Ų5057.4 Ų57.452%0.51528%0.278SS..THydrogen-bonded Turntrans85.8-4.217800000114.8N306 C359N306-G308 PolarHBondContact O-N 3.4Å; G308-C359 PolarHBondContact N-O 3.13Å
309Q98Very high97Very high48 Ų4854.9 Ų54.922%0.22427%0.27CS..  trans-80.4162171.1-66.3-169.6-67.100111.4I305 N306 K307 C359 V387 E388I305-Q309 HydrophobicContact CG2-CB 3.62Å; N306-Q309 HydrophobicContact CB-CG 4.19Å; N306-Q309 WeakPolarHBondContact O-CB 3.36Å; N306-Q309 PolarHBondContact O-N 2.98Å; K307-Q309 VanDerWaalsContact C-N 3.32Å; Q309-C359 VanDerWaalsContact O-CB 3.3Å; Q309-C359 WeakPolarHBondContact O-CB 3.28Å; Q309-C359 PolarHBondContact O-N 3Å; Q309-V387 HydrophobicContact CB-CG1 3.91Å; Q309-V387 HydrophobicContact CG-CG1 4.38Å; Q309-E388 CarbonylContact C-O 3.59Å; Q309-E388 VanDerWaalsContact CA-O 3.23Å; Q309-E388 WeakPolarHBondContact CA-O 3.47Å; Q309-E388 WeakPolarHBondContact CB-O 3.27Å
310R97.7Very high96.9Very high84 Ų8456.6 Ų56.632%0.31728%0.277SS..EExtended strand (participates in β ladder)trans-107.5134.5176.4-70.3170.368-164.44110.9L312 N356 V357 M358 V387 E388R310-L312 HydrophobicContact CB-CD1 3.95Å; R310-N356 PolarHBondContact NE-OD1 2.93Å; R310-N356 VanDerWaalsContact NE-OD1 3.13Å; R310-N356 PolarHBondContact NH2-OD1 3.25Å; R310-V357 WeakPolarHBondContact CA-O 3.46Å; R310-M358 HydrophobicContact CG-CE 3.19Å; R310-M358 HydrophobicContact CG-SD 3.75Å; R310-V387 VanDerWaalsContact O-CA 3.3Å; R310-V387 WeakPolarHBondContact O-CA 3.41Å; R310-E388 PolarHBondContact N-O 2.92Å; R310-E388 PolarHBondContact O-N 2.9Å
311L98.4Very high96.9Very high0 Ų054.4 Ų54.40%027%0.265CS..EExtended strand (participates in β ladder)trans-91.5123.7164.5-176.852.9000109.3V303 I305 I325 N356 V357 I367 A386 V387V303-L311 HydrophobicContact CG1-CD1 4.46Å; I305-L311 HydrophobicContact CD1-CB 3.68Å; I305-L311 HydrophobicContact CD1-CD1 3.9Å; I305-L311 HydrophobicContact CD1-CD2 3.92Å; I305-L311 HydrophobicContact CD1-CG 4.04Å; L311-I325 HydrophobicContact CD2-CD1 4.05Å; L311-I325 HydrophobicContact CD2-CG2 3.78Å; L311-N356 CarbonylContact O-C 3.57Å; L311-N356 WeakPolarHBondContact O-CA 3.37Å; L311-N356 WeakPolarHBondContact O-CB 3.19Å; L311-V357 HydrophobicContact CB-CG1 4.18Å; L311-V357 PolarHBondContact N-O 3.12Å; L311-V357 PolarHBondContact O-N 3.28Å; L311-I367 HydrophobicContact CD1-CD1 4.29Å; L311-I367 HydrophobicContact CD2-CD1 4.43Å; L311-I367 HydrophobicContact CD2-CG1 4.14Å; L311-A386 WeakPolarHBondContact CD1-O 3.36Å; L311-V387 HydrophobicContact CD1-CG2 4.37Å
312L98.5Very high96.9Very high7 Ų751.4 Ų51.44%0.03726%0.256CS..EExtended strand (participates in β ladder)trans-109.1143.5173.5-64.481.8000109.6L285 R310 N356 W385 A386 E388L285-L312 HydrophobicContact CD1-CB 4Å; L285-L312 HydrophobicContact CD2-CB 4.08Å; L285-L312 HydrophobicContact CD2-CD2 4.14Å; R310-L312 HydrophobicContact CB-CD1 3.95Å; L312-N356 HydrophobicContact CB-CB 4.44Å; L312-N356 HydrophobicContact CG-CB 3.82Å; L312-W385 WeakPolarHBondContact O-CA 3.12Å; L312-W385 WeakPolarHBondContact O-CB 3.33Å; L312-A386 HydrophobicContact CB-CB 4.2Å; L312-A386 HydrophobicContact CD1-CB 4.43Å; L312-A386 PolarHBondContact N-O 2.93Å; L312-A386 PolarHBondContact O-N 2.89Å; L312-A386 VanDerWaalsContact O-N 3.09Å; L312-E388 HydrophobicContact CD1-CB 3.98Å; L312-E388 HydrophobicContact CD1-CG 3.78Å
313W98.3Very high97Very high12 Ų1244 Ų445%0.04523%0.228CC..EExtended strand (participates in β ladder)trans-136.6155.8173.57491.1000111.7F315 F323 I325 V338 D353 Q354 G355 N356 V357 S384W313-F315 AromaticContact CD1-CD1 3.88Å; W313-F323 AromaticContact CD1-CZ 3.61Å; W313-F323 HydrophobicContact CD2-CE1 4.44Å; W313-F323 HydrophobicContact CD2-CZ 4.09Å; W313-F323 AromaticContact CE2-CE1 3.93Å; W313-F323 AromaticContact CE2-CZ 3.97Å; W313-F323 AromaticContact CG-CZ 3.86Å; W313-F323 HydrophobicContact CG-CZ 3.86Å; W313-F323 HydrophobicContact CZ2-CE1 4.3Å; W313-F323 AromaticContact NE1-CE1 3.78Å; W313-F323 AromaticContact NE1-CZ 3.66Å; W313-I325 HydrophobicContact CD2-CD1 3.84Å; W313-I325 HydrophobicContact CE3-CD1 3.39Å; W313-I325 HydrophobicContact CG-CD1 4.41Å; W313-I325 HydrophobicContact CH2-CD1 4.46Å; W313-I325 HydrophobicContact CZ3-CD1 3.73Å; W313-V338 HydrophobicContact CH2-CG1 4.29Å; W313-V338 HydrophobicContact CH2-CG2 3.69Å; W313-V338 HydrophobicContact CZ2-CG1 4.38Å; W313-V338 HydrophobicContact CZ3-CG2 3.93Å; W313-D353 PolarHBondContact NE1-OD2 3.44Å; W313-Q354 VanDerWaalsContact O-CA 3.28Å; W313-Q354 WeakPolarHBondContact O-CA 3.31Å; W313-Q354 WeakPolarHBondContact O-CB 3.04Å; W313-G355 VanDerWaalsContact CE3-C 3.44Å; W313-G355 VanDerWaalsContact CZ2-CA 3.47Å; W313-G355 VanDerWaalsContact CZ3-C 3.44Å; W313-G355 PolarHBondContact N-O 2.94Å; W313-G355 VanDerWaalsContact N-O 3.13Å; W313-G355 PolarHBondContact O-N 3.43Å; W313-N356 VanDerWaalsContact CZ3-CA 3.42Å; W313-V357 HydrophobicContact CZ3-CB 4.46Å; W313-V357 HydrophobicContact CZ3-CG1 4.45Å; W313-S384 WeakPolarHBondContact CA-O 3.28Å
314C98.4Very high97.1Very high1 Ų143.3 Ų43.31%0.00722%0.224CC..EExtended strand (participates in β ladder)trans-151.6129170.6178.10000108.2L285 P352 D353 Q354 Y383 S384L285-C314 HydrophobicContact CD1-CB 4.01Å; C314-P352 WeakPolarHBondContact SG-CG 3.32Å; C314-D353 CarbonylContact C-O 3.6Å; C314-D353 VanDerWaalsContact CA-O 3.27Å; C314-D353 WeakPolarHBondContact CA-O 3.38Å; C314-Q354 HydrophobicContact CB-CB 4.09Å; C314-Y383 CarbonylContact O-C 3.56Å; C314-Y383 VanDerWaalsContact O-CA 3.28Å; C314-Y383 WeakPolarHBondContact O-CA 3.42Å; C314-S384 PolarHBondContact N-O 2.8Å; C314-S384 PolarHBondContact O-N 3.34Å
315F98.4Very high97.2Very high1 Ų135.2 Ų35.20%0.00419%0.189CC..EExtended strand (participates in β ladder)trans-150.9155.3178.175.4-95.1000114.2W313 L321 F323 L343 T345 P352 D353 F369 V381 H382W313-F315 AromaticContact CD1-CD1 3.88Å; F315-L321 HydrophobicContact CE2-CD1 4.09Å; F315-L321 HydrophobicContact CE2-CD2 4.27Å; F315-L321 HydrophobicContact CZ-CD1 4.22Å; F315-F323 HydrophobicContact CD1-CD2 4.03Å; F315-F323 AromaticContact CD1-CE2 3.81Å; F315-F323 HydrophobicContact CD1-CE2 3.81Å; F315-F323 HydrophobicContact CD1-CZ 4.33Å; F315-F323 HydrophobicContact CE1-CB 4.32Å; F315-F323 HydrophobicContact CE1-CD1 4.16Å; F315-F323 AromaticContact CE1-CD2 3.36Å; F315-F323 HydrophobicContact CE1-CD2 3.36Å; F315-F323 HydrophobicContact CE1-CE1 4.23Å; F315-F323 AromaticContact CE1-CE2 3.49Å; F315-F323 HydrophobicContact CE1-CE2 3.49Å; F315-F323 VanDerWaalsContact CE1-CE2 3.49Å; F315-F323 AromaticContact CE1-CG 3.68Å; F315-F323 HydrophobicContact CE1-CG 3.68Å; F315-F323 AromaticContact CE1-CZ 3.9Å; F315-F323 HydrophobicContact CE1-CZ 3.9Å; F315-F323 HydrophobicContact CZ-CB 4.02Å; F315-F323 AromaticContact CZ-CD2 3.82Å; F315-F323 HydrophobicContact CZ-CD2 3.82Å; F315-F323 HydrophobicContact CZ-CE2 4.38Å; F315-F323 AromaticContact CZ-CG 3.89Å; F315-F323 HydrophobicContact CZ-CG 3.89Å; F315-L343 HydrophobicContact CZ-CD1 4.05Å; F315-T345 HydrophobicContact CE2-CG2 4.33Å; F315-P352 CarbonylContact O-C 3.48Å; F315-P352 VanDerWaalsContact O-CA 3.31Å; F315-P352 WeakPolarHBondContact O-CA 3.4Å; F315-P352 WeakPolarHBondContact O-CB 3.48Å; F315-D353 HydrophobicContact CD1-CB 3.96Å; F315-D353 HydrophobicContact CD2-CB 4.46Å; F315-D353 HydrophobicContact CE1-CB 3.51Å; F315-D353 WeakPolarHBondContact CE1-OD2 3.43Å; F315-D353 HydrophobicContact CE2-CB 4.05Å; F315-D353 HydrophobicContact CG-CB 4.41Å; F315-D353 HydrophobicContact CZ-CB 3.55Å; F315-D353 PolarHBondContact N-O 2.88Å; F315-D353 PolarHBondContact O-N 2.77Å; F315-F369 HydrophobicContact CB-CE1 4.02Å; F315-F369 HydrophobicContact CB-CZ 4.28Å; F315-F369 AromaticContact CD1-CE1 3.69Å; F315-F369 HydrophobicContact CD1-CE1 3.69Å; F315-F369 HydrophobicContact CD1-CZ 4.29Å; F315-F369 AromaticContact CD2-CE1 3.94Å; F315-F369 HydrophobicContact CD2-CE1 3.94Å; F315-F369 HydrophobicContact CE1-CE1 4.06Å; F315-F369 HydrophobicContact CE2-CE1 4.31Å; F315-F369 AromaticContact CG-CE1 3.63Å; F315-F369 HydrophobicContact CG-CE1 3.63Å; F315-F369 HydrophobicContact CG-CZ 4.3Å; F315-F369 HydrophobicContact CZ-CE1 4.37Å; F315-V381 HydrophobicContact CB-CG1 4.35Å; F315-V381 HydrophobicContact CD2-CG1 4.33Å; F315-H382 CarbonylContact C-O 3.43Å; F315-H382 WeakPolarHBondContact CA-O 3.27Å; F315-H382 WeakPolarHBondContact CB-O 3.23Å
316A98.3Very high97.2Very high7 Ų736 Ų366%0.05819%0.192CC..EExtended strand (participates in β ladder)trans-128.8148.3162.700000110.8T345 M349 V381 H382A316-T345 WeakPolarHBondContact CA-OG1 3.44Å; A316-M349 HydrophobicContact CB-CG 3.84Å; A316-M349 HydrophobicContact CB-SD 3.38Å; A316-M349 WeakPolarHBondContact CB-SD 3.43Å; A316-V381 WeakPolarHBondContact O-CA 3.1Å; A316-H382 PolarHBondContact N-O 3.12Å; A316-H382 PolarHBondContact O-N 3.45Å
317S97.5Very high97.1Very high10 Ų1031.9 Ų31.97%0.0717%0.169CC..EExtended strand (participates in β ladder)trans-126.9143179.3175.70000111G319 L321 T345 K380S317-G319 WeakPolarHBondContact CB-O 3.08Å; S317-G319 PolarHBondContact O-N 2.79Å; S317-G319 PolarHBondContact OG-N 2.87Å; S317-G319 VanDerWaalsContact OG-N 3.16Å; S317-G319 PolarHBondContact OG-O 2.87Å; S317-L321 VanDerWaalsContact CB-CD2 3.5Å; S317-L321 WeakPolarHBondContact OG-CD2 3.15Å; S317-T345 PolarHBondContact N-OG1 2.86Å; S317-T345 PolarHBondContact O-OG1 2.98Å; S317-K380 VanDerWaalsContact CA-O 3.31Å; S317-K380 WeakPolarHBondContact CA-O 3.42Å
318T95.8Very high96.5Very high98 Ų9826.8 Ų26.860%0.60115%0.153SC*.SBendtrans-74-7.9173.262.20000113.5K380T318-K380 HydrophobicContact CG2-CB 3.9Å; T318-K380 PolarHBondContact N-O 2.79Å; T318-K380 PolarHBondContact OG1-N 3.42Å
319G93.6Very high95.2Very high22 Ų2226.6 Ų26.623%0.22714%0.14CC..SBendtrans-152.5-177.2179.500000113S317S317-G319 WeakPolarHBondContact CB-O 3.08Å; S317-G319 PolarHBondContact O-N 2.79Å; S317-G319 PolarHBondContact OG-N 2.87Å; S317-G319 VanDerWaalsContact OG-N 3.16Å; S317-G319 PolarHBondContact OG-O 2.87Å
320K95.4Very high93.5Very high86 Ų8634.5 Ų34.537%0.37417%0.174SC..  trans-71.9134.8176.8-64.8170.4-176.9177.50110.1L182 V342 L343 C344 V372L182-K320 HydrophobicContact CD2-CD 4.2Å; K320-V342 HydrophobicContact CB-CG1 4.21Å; K320-L343 VanDerWaalsContact CA-O 3.31Å; K320-L343 WeakPolarHBondContact CA-O 3.35Å; K320-C344 HydrophobicContact CG-CB 4.12Å; K320-V372 HydrophobicContact CB-CG1 4.38Å; K320-V372 HydrophobicContact CB-CG2 4.45Å
321L97.2Very high91.7Very high1 Ų138.1 Ų38.11%0.00520%0.195CC..EExtended strand (participates in β ladder)trans-140.6154.4177.164.277.7000111.2F315 S317 F323 V342 L343 F369 R370 I379 V381F315-L321 HydrophobicContact CE2-CD1 4.09Å; F315-L321 HydrophobicContact CE2-CD2 4.27Å; F315-L321 HydrophobicContact CZ-CD1 4.22Å; S317-L321 VanDerWaalsContact CB-CD2 3.5Å; S317-L321 WeakPolarHBondContact OG-CD2 3.15Å; L321-F323 HydrophobicContact CD1-CB 3.64Å; L321-V342 CarbonylContact O-C 3.58Å; L321-V342 VanDerWaalsContact O-CA 3.29Å; L321-V342 WeakPolarHBondContact O-CA 3.31Å; L321-L343 PolarHBondContact N-O 3.09Å; L321-L343 PolarHBondContact O-N 3.1Å; L321-F369 HydrophobicContact CD1-CD1 4.12Å; L321-F369 HydrophobicContact CD2-CD1 3.99Å; L321-R370 CarbonylContact C-O 3.54Å; L321-R370 WeakPolarHBondContact CA-O 3.41Å; L321-R370 WeakPolarHBondContact CB-O 3.36Å; L321-I379 HydrophobicContact CB-CD1 3.62Å; L321-I379 HydrophobicContact CD2-CD1 4.08Å; L321-I379 HydrophobicContact CG-CD1 4.5Å; L321-V381 HydrophobicContact CD2-CG1 4.39Å; L321-V381 HydrophobicContact CD2-CG2 3.53Å
322E97.2Very high90.1Very high43 Ų4344.6 Ų44.620%0.20123%0.229CC..EExtended strand (participates in β ladder)trans-83.2125.5163.7-73175-166.300108.9R340 M341 V342 R370 V372E322-R340 HydrophobicContact CB-CG 4.44Å; E322-M341 WeakPolarHBondContact CA-O 3.3Å; E322-V342 HydrophobicContact CG-CG2 3.7Å; E322-R370 HydrophobicContact CB-CB 4.12Å; E322-R370 PolarHBondContact N-O 3.39Å; E322-R370 PolarHBondContact O-N 2.85Å; E322-R370 WeakPolarHBondContact OE2-CD 3.45Å; E322-R370 IonicContact OE2-NE 3.74Å; E322-V372 HydrophobicContact CG-CG1 4.43Å
323F98.3Very high88.9Confident0 Ų050.2 Ų50.20%026%0.255CS..EExtended strand (participates in β ladder)trans-117.5136.5175.6176.8-93000110W313 F315 L321 I325 V338 R340 M341 L343 I367 E368 F369W313-F323 AromaticContact CD1-CZ 3.61Å; W313-F323 HydrophobicContact CD2-CE1 4.44Å; W313-F323 HydrophobicContact CD2-CZ 4.09Å; W313-F323 AromaticContact CE2-CE1 3.93Å; W313-F323 AromaticContact CE2-CZ 3.97Å; W313-F323 AromaticContact CG-CZ 3.86Å; W313-F323 HydrophobicContact CG-CZ 3.86Å; W313-F323 HydrophobicContact CZ2-CE1 4.3Å; W313-F323 AromaticContact NE1-CE1 3.78Å; W313-F323 AromaticContact NE1-CZ 3.66Å; F315-F323 HydrophobicContact CD1-CD2 4.03Å; F315-F323 AromaticContact CD1-CE2 3.81Å; F315-F323 HydrophobicContact CD1-CE2 3.81Å; F315-F323 HydrophobicContact CD1-CZ 4.33Å; F315-F323 HydrophobicContact CE1-CB 4.32Å; F315-F323 HydrophobicContact CE1-CD1 4.16Å; F315-F323 AromaticContact CE1-CD2 3.36Å; F315-F323 HydrophobicContact CE1-CD2 3.36Å; F315-F323 HydrophobicContact CE1-CE1 4.23Å; F315-F323 AromaticContact CE1-CE2 3.49Å; F315-F323 HydrophobicContact CE1-CE2 3.49Å; F315-F323 VanDerWaalsContact CE1-CE2 3.49Å; F315-F323 AromaticContact CE1-CG 3.68Å; F315-F323 HydrophobicContact CE1-CG 3.68Å; F315-F323 AromaticContact CE1-CZ 3.9Å; F315-F323 HydrophobicContact CE1-CZ 3.9Å; F315-F323 HydrophobicContact CZ-CB 4.02Å; F315-F323 AromaticContact CZ-CD2 3.82Å; F315-F323 HydrophobicContact CZ-CD2 3.82Å; F315-F323 HydrophobicContact CZ-CE2 4.38Å; F315-F323 AromaticContact CZ-CG 3.89Å; F315-F323 HydrophobicContact CZ-CG 3.89Å; L321-F323 HydrophobicContact CD1-CB 3.64Å; F323-I325 HydrophobicContact CE1-CD1 4.32Å; F323-I325 HydrophobicContact CE1-CG1 3.99Å; F323-I325 HydrophobicContact CZ-CD1 3.99Å; F323-I325 HydrophobicContact CZ-CG1 3.82Å; F323-V338 HydrophobicContact CE1-CG1 4.27Å; F323-R340 WeakPolarHBondContact O-CA 3.33Å; F323-M341 PolarHBondContact N-O 3Å; F323-M341 PolarHBondContact O-N 2.81Å; F323-M341 VanDerWaalsContact O-N 3.14Å; F323-L343 HydrophobicContact CB-CD1 3.95Å; F323-L343 HydrophobicContact CD1-CD1 4.41Å; F323-L343 HydrophobicContact CG-CD1 4.45Å; F323-I367 HydrophobicContact CE2-CG2 3.59Å; F323-I367 HydrophobicContact CZ-CG2 4.09Å; F323-E368 WeakPolarHBondContact CA-O 3.49Å; F323-F369 AromaticContact CD2-CD1 3.69Å; F323-F369 HydrophobicContact CD2-CD1 3.69Å; F323-F369 AromaticContact CD2-CE1 3.41Å; F323-F369 HydrophobicContact CD2-CE1 3.41Å; F323-F369 VanDerWaalsContact CD2-CE1 3.41Å; F323-F369 HydrophobicContact CD2-CZ 4.09Å; F323-F369 HydrophobicContact CE2-CD1 4.25Å; F323-F369 AromaticContact CE2-CE1 3.57Å; F323-F369 HydrophobicContact CE2-CE1 3.57Å; F323-F369 AromaticContact CE2-CZ 3.8Å; F323-F369 HydrophobicContact CE2-CZ 3.8Å
324S97.8Very high88.2Confident0 Ų053.4 Ų53.40%027%0.273CS..EExtended strand (participates in β ladder)trans-150.2159.8169.666.70000111.4R340 E368S324-R340 PolarHBondContact OG-NE 3.36Å; S324-R340 PolarHBondContact OG-NH2 3.46Å; S324-E368 PolarHBondContact N-O 2.84Å; S324-E368 VanDerWaalsContact N-O 3.17Å; S324-E368 PolarHBondContact O-N 3.14Å; S324-E368 PolarHBondContact OG-OE1 2.94Å; S324-E368 VanDerWaalsContact OG-OE1 3.14Å
325I98.2Very high87.9Confident0 Ų056.5 Ų56.50%029%0.289CS..EExtended strand (participates in β ladder)trans-122.7129.7166-59.6-177.7000107.3L311 W313 F323 I337 V338 A366 I367L311-I325 HydrophobicContact CD2-CD1 4.05Å; L311-I325 HydrophobicContact CD2-CG2 3.78Å; W313-I325 HydrophobicContact CD2-CD1 3.84Å; W313-I325 HydrophobicContact CE3-CD1 3.39Å; W313-I325 HydrophobicContact CG-CD1 4.41Å; W313-I325 HydrophobicContact CH2-CD1 4.46Å; W313-I325 HydrophobicContact CZ3-CD1 3.73Å; F323-I325 HydrophobicContact CE1-CD1 4.32Å; F323-I325 HydrophobicContact CE1-CG1 3.99Å; F323-I325 HydrophobicContact CZ-CD1 3.99Å; F323-I325 HydrophobicContact CZ-CG1 3.82Å; I325-I337 PolarHBondContact O-N 2.98Å; I325-V338 HydrophobicContact CB-CB 3.88Å; I325-V338 HydrophobicContact CB-CG2 3.85Å; I325-V338 HydrophobicContact CD1-CG2 4.05Å; I325-V338 HydrophobicContact CG1-CB 4.25Å; I325-V338 HydrophobicContact CG1-CG2 4.15Å; I325-V338 PolarHBondContact O-N 2.71Å; I325-A366 VanDerWaalsContact CA-O 3.28Å; I325-A366 WeakPolarHBondContact CA-O 3.46Å; I325-I367 HydrophobicContact CD1-CG1 4.42Å; I325-I367 HydrophobicContact CG1-CG1 4.43Å
326Y96.2Very high87.7Confident18 Ų1857.2 Ų57.27%0.07129%0.293CS..EExtended strand (participates in β ladder)trans-141161.4-179.963.6-98.9000111.8I300 L334 I335 Y365 A366 E368I300-Y326 WeakPolarHBondContact CD1-OH 3.19Å; Y326-L334 HydrophobicContact CD2-CD2 3.36Å; Y326-L334 HydrophobicContact CE2-CD2 3.27Å; Y326-L334 HydrophobicContact CG-CD2 4.13Å; Y326-I335 CarbonylContact C-O 3.53Å; Y326-I335 WeakPolarHBondContact CA-O 3.47Å; Y326-I335 VanDerWaalsContact CB-O 3.27Å; Y326-I335 WeakPolarHBondContact CB-O 3.49Å; Y326-Y365 CarbonylContact O-C 3.56Å; Y326-Y365 WeakPolarHBondContact O-CA 3.27Å; Y326-A366 HydrophobicContact CD1-CB 4.24Å; Y326-A366 HydrophobicContact CD2-CB 3.88Å; Y326-A366 HydrophobicContact CE1-CB 3.85Å; Y326-A366 HydrophobicContact CE2-CB 3.43Å; Y326-A366 VanDerWaalsContact CE2-CB 3.43Å; Y326-A366 HydrophobicContact CG-CB 4.26Å; Y326-A366 VanDerWaalsContact CZ-CB 3.41Å; Y326-A366 PolarHBondContact N-O 3.3Å; Y326-A366 VanDerWaalsContact N-O 3.09Å; Y326-A366 PolarHBondContact O-N 2.91Å; Y326-E368 HydrophobicContact CD1-CB 4.46Å; Y326-E368 HydrophobicContact CE1-CB 3.81Å; Y326-E368 HydrophobicContact CE1-CG 4.44Å
327K94Very high87.6Confident21 Ų2159.1 Ų59.19%0.09130%0.301CS..EExtended strand (participates in β ladder)trans-113.1135.8169.7177.7177.5174.6-66.30108.2I335 I337 Q361 A362 Y365K327-I335 PolarHBondContact N-O 3.32Å; K327-I335 PolarHBondContact O-N 3.11Å; K327-I337 HydrophobicContact CB-CG1 4.4Å; K327-Q361 HydrophobicContact CD-CB 4.38Å; K327-A362 WeakPolarHBondContact CE-O 3.39Å; K327-Y365 HydrophobicContact CB-CD1 3.99Å; K327-Y365 HydrophobicContact CB-CE1 3.91Å; K327-Y365 HydrophobicContact CD-CE1 4.19Å; K327-Y365 HydrophobicContact CD-CE2 4.14Å; K327-Y365 HydrophobicContact CG-CE1 4.45Å
328S82.2Confident87.6Confident53 Ų5359 Ų5937%0.37130%0.3SS..EExtended strand (participates in β ladder)trans-78.4129.7165.2-64.50000108.7
329D70.1Confident87.6Confident46 Ų4654.7 Ų54.725%0.24627%0.274CS..  trans-86.6-172.8171.978.36.9000112.1E331 N332 E333 I335D329-E331 PolarHBondContact O-N 3.39Å; D329-E331 WeakPolarHBondContact OD1-CA 3.28Å; D329-E331 PolarHBondContact OD1-N 3.46Å; D329-N332 PolarHBondContact O-N 3.03Å; D329-N332 PolarHBondContact OD1-N 2.75Å; D329-N332 VanDerWaalsContact OD1-N 3.12Å; D329-E333 PolarHBondContact N-O 3.46Å; D329-E333 WeakPolarHBondContact OD1-CA 3.4Å; D329-E333 PolarHBondContact OD1-N 3.13Å; D329-E333 WeakPolarHBondContact OD2-CB 3.44Å; D329-I335 HydrophobicContact CB-CD1 3.92Å; D329-I335 HydrophobicContact CB-CG1 4.44Å
330K62Low87.8Confident215 Ų21556.1 Ų56.194%0.93527%0.272SS*.THydrogen-bonded Turntrans-69.2-22.9-178.3-66.2-175.8-179.7179.80113N332K330-N332 VanDerWaalsContact C-N 3.34Å
331E61.1Low87.8Confident160 Ų16052.6 Ų52.675%0.74826%0.257SS*.THydrogen-bonded Turntrans-95.87.7-178.6-62.4-174.4178.700111.7D329 E333D329-E331 PolarHBondContact O-N 3.39Å; D329-E331 WeakPolarHBondContact OD1-CA 3.28Å; D329-E331 PolarHBondContact OD1-N 3.46Å; E331-E333 HydrophobicContact CB-CG 4.37Å; E331-E333 PolarHBondContact O-N 3.09Å
332N63.8Low87.8Confident135 Ų13554.3 Ų54.372%0.72227%0.267SS*.SBendtrans62.614.5-169.3-64.2-51.4000114.2D329 K330D329-N332 PolarHBondContact O-N 3.03Å; D329-N332 PolarHBondContact OD1-N 2.75Å; D329-N332 VanDerWaalsContact OD1-N 3.12Å; K330-N332 VanDerWaalsContact C-N 3.34Å
333E73.1Confident87.9Confident125 Ų12552.3 Ų52.358%0.58426%0.258SS*.  trans-72.5141.4172.1-72-63.5149.700110.1D329 E331D329-E333 PolarHBondContact N-O 3.46Å; D329-E333 WeakPolarHBondContact OD1-CA 3.4Å; D329-E333 PolarHBondContact OD1-N 3.13Å; D329-E333 WeakPolarHBondContact OD2-CB 3.44Å; E331-E333 HydrophobicContact CB-CG 4.37Å; E331-E333 PolarHBondContact O-N 3.09Å
334L83.2Confident87.8Confident80 Ų8052.5 Ų52.542%0.41926%0.259SS..EExtended strand (participates in β ladder)trans-93.8104.5-172.1-70.4167.8000110Y326 L336Y326-L334 HydrophobicContact CD2-CD2 3.36Å; Y326-L334 HydrophobicContact CE2-CD2 3.27Å; Y326-L334 HydrophobicContact CG-CD2 4.13Å; L334-L336 PolarHBondContact O-N 3.06Å
335I92Very high87.7Confident66 Ų6652.9 Ų52.934%0.33826%0.262SS..EExtended strand (participates in β ladder)trans-90.1104.8175.1-54176.7000108.5Y326 K327 D329 I337Y326-I335 CarbonylContact C-O 3.53Å; Y326-I335 WeakPolarHBondContact CA-O 3.47Å; Y326-I335 VanDerWaalsContact CB-O 3.27Å; Y326-I335 WeakPolarHBondContact CB-O 3.49Å; K327-I335 PolarHBondContact N-O 3.32Å; K327-I335 PolarHBondContact O-N 3.11Å; D329-I335 HydrophobicContact CB-CD1 3.92Å; D329-I335 HydrophobicContact CB-CG1 4.44Å; I335-I337 HydrophobicContact CG2-CD1 3.99Å; I335-I337 PolarHBondContact O-N 3.05Å
336L95.5Very high87.6Confident16 Ų1655.2 Ų55.28%0.08428%0.277CS..EExtended strand (participates in β ladder)trans-66.9124172.1-68.5-169.3000110L59 N60 A63 L334 R340L59-L336 HydrophobicContact CB-CD1 3.89Å; N60-L336 WeakPolarHBondContact OD1-CD1 3.09Å; A63-L336 HydrophobicContact CB-CB 3.64Å; A63-L336 WeakPolarHBondContact CB-O 3.34Å; L334-L336 PolarHBondContact O-N 3.06Å; L336-R340 HydrophobicContact CD1-CB 4.12Å
337I95.2Very high87.5Confident46 Ų4656.8 Ų56.824%0.23629%0.286CS..EExtended strand (participates in β ladder)trans-102.5-32.6177.4-55.4-61.8000110.2I325 K327 I335 V357 Y365I325-I337 PolarHBondContact O-N 2.98Å; K327-I337 HydrophobicContact CB-CG1 4.4Å; I335-I337 HydrophobicContact CG2-CD1 3.99Å; I335-I337 PolarHBondContact O-N 3.05Å; I337-V357 HydrophobicContact CG2-CB 4.17Å; I337-V357 HydrophobicContact CG2-CG1 3.78Å; I337-V357 HydrophobicContact CG2-CG2 3.42Å; I337-V357 VanDerWaalsContact CG2-CG2 3.42Å; I337-Y365 HydrophobicContact CD1-CE1 4.46Å; I337-Y365 HydrophobicContact CG1-CD1 4.28Å; I337-Y365 HydrophobicContact CG1-CE1 4Å
338V96.9Very high87.6Confident9 Ų957 Ų576%0.05530%0.295CS..EExtended strand (participates in β ladder)trans-120.7129.1167.9176.50000107.7W313 F323 I325 R340 V357W313-V338 HydrophobicContact CH2-CG1 4.29Å; W313-V338 HydrophobicContact CH2-CG2 3.69Å; W313-V338 HydrophobicContact CZ2-CG1 4.38Å; W313-V338 HydrophobicContact CZ3-CG2 3.93Å; F323-V338 HydrophobicContact CE1-CG1 4.27Å; I325-V338 HydrophobicContact CB-CB 3.88Å; I325-V338 HydrophobicContact CB-CG2 3.85Å; I325-V338 HydrophobicContact CD1-CG2 4.05Å; I325-V338 HydrophobicContact CG1-CB 4.25Å; I325-V338 HydrophobicContact CG1-CG2 4.15Å; I325-V338 PolarHBondContact O-N 2.71Å; V338-R340 PolarHBondContact O-N 3.08Å; V338-V357 HydrophobicContact CG2-CB 4.39Å; V338-V357 HydrophobicContact CG2-CG1 4.34Å
339P97.4Very high88.1Confident6 Ų658.9 Ų58.94%0.03930%0.299CS..EExtended strand (participates in β ladder)trans-51.5138.3-179.6-27.433.5000112.4N60 A63 A64 M129 M341N60-P339 HydrophobicContact CB-CB 4.38Å; A63-P339 HydrophobicContact CB-CB 4.42Å; A63-P339 HydrophobicContact CB-CG 3.92Å; A64-P339 HydrophobicContact CB-CG 3.73Å; M129-P339 HydrophobicContact CE-CG 4.3Å; M129-P339 HydrophobicContact SD-CG 4.2Å; P339-M341 HydrophobicContact CB-CG 4.14Å; P339-M341 HydrophobicContact CB-SD 4.43Å; P339-M341 PolarHBondContact O-N 3.47Å
340R96.7Very high89.1Confident53 Ų5364.8 Ų64.820%0.233%0.325CS..EExtended strand (participates in β ladder)trans-75.6110.1173-176.2172.9-72.7112.1-3.1109.3N60 E322 F323 S324 L336 V338 E368N60-R340 PolarHBondContact ND2-O 2.88Å; N60-R340 WeakPolarHBondContact OD1-CA 3.44Å; N60-R340 PolarHBondContact OD1-N 3.13Å; N60-R340 PolarHBondContact OD1-O 2.94Å; E322-R340 HydrophobicContact CB-CG 4.44Å; F323-R340 WeakPolarHBondContact O-CA 3.33Å; S324-R340 PolarHBondContact OG-NE 3.36Å; S324-R340 PolarHBondContact OG-NH2 3.46Å; L336-R340 HydrophobicContact CD1-CB 4.12Å; V338-R340 PolarHBondContact O-N 3.08Å; R340-E368 IonicContact CZ-OE1 2.82Å; R340-E368 IonicContact NE-OE1 2.78Å; R340-E368 PolarHBondContact NE-OE1 2.98Å; R340-E368 VanDerWaalsContact NE-OE1 3.1Å; R340-E368 IonicContact NH2-OE1 3.45Å; R340-E368 PolarHBondContact NH2-OE1 2.82Å
341M96.7Very high90.6Very high11 Ų1155.5 Ų55.55%0.05429%0.285CS..EExtended strand (participates in β ladder)trans-129.7146.9-177.4-57.4179.986.500110.8L128 M129 M186 E322 F323 P339 L343L128-M341 HydrophobicContact CB-CE 3.47Å; L128-M341 VanDerWaalsContact CB-CE 3.47Å; M129-M341 HydrophobicContact CG-CE 4.47Å; M129-M341 HydrophobicContact CG-SD 4.11Å; M129-M341 HydrophobicContact SD-CE 4.04Å; M129-M341 HydrophobicContact SD-SD 3.53Å; M186-M341 HydrophobicContact CE-CE 3.24Å; M186-M341 HydrophobicContact SD-CE 4.35Å; E322-M341 WeakPolarHBondContact CA-O 3.3Å; F323-M341 PolarHBondContact N-O 3Å; F323-M341 PolarHBondContact O-N 2.81Å; F323-M341 VanDerWaalsContact O-N 3.14Å; P339-M341 HydrophobicContact CB-CG 4.14Å; P339-M341 HydrophobicContact CB-SD 4.43Å; P339-M341 PolarHBondContact O-N 3.47Å; M341-L343 HydrophobicContact CB-CD2 4.01Å; M341-L343 HydrophobicContact CB-CG 4.23Å; M341-L343 PolarHBondContact O-N 3.46Å
342V97.2Very high92.3Very high37 Ų3748 Ų4822%0.22425%0.25CC..EExtended strand (participates in β ladder)trans-77.6118.1166.2-175.50000108.3L182 K320 L321 E322 V372L182-V342 HydrophobicContact CD2-CB 4.06Å; L182-V342 HydrophobicContact CD2-CG1 3.54Å; K320-V342 HydrophobicContact CB-CG1 4.21Å; L321-V342 CarbonylContact O-C 3.58Å; L321-V342 VanDerWaalsContact O-CA 3.29Å; L321-V342 WeakPolarHBondContact O-CA 3.31Å; E322-V342 HydrophobicContact CG-CG2 3.7Å; V342-V372 HydrophobicContact CG1-CG1 3.77Å; V342-V372 HydrophobicContact CG2-CG1 4.32Å
343L97.5Very high94Very high1 Ų141.9 Ų41.91%0.00522%0.217CC..EExtended strand (participates in β ladder)trans-120.1160.6-177.9-59.3-180000111V124 L128 F315 K320 L321 F323 M341V124-L343 HydrophobicContact CG1-CD2 4.39Å; L128-L343 HydrophobicContact CD1-CD2 3.6Å; F315-L343 HydrophobicContact CZ-CD1 4.05Å; K320-L343 VanDerWaalsContact CA-O 3.31Å; K320-L343 WeakPolarHBondContact CA-O 3.35Å; L321-L343 PolarHBondContact N-O 3.09Å; L321-L343 PolarHBondContact O-N 3.1Å; F323-L343 HydrophobicContact CB-CD1 3.95Å; F323-L343 HydrophobicContact CD1-CD1 4.41Å; F323-L343 HydrophobicContact CG-CD1 4.45Å; M341-L343 HydrophobicContact CB-CD2 4.01Å; M341-L343 HydrophobicContact CB-CG 4.23Å; M341-L343 PolarHBondContact O-N 3.46Å
344C96.2Very high95.1Very high4 Ų437.6 Ų37.63%0.02720%0.197CC..  trans-139.8157.5167.263.40000109.1V124 L182 K320V124-C344 WeakPolarHBondContact CG2-O 3.35Å; L182-C344 HydrophobicContact CD1-CB 4.25Å; K320-C344 HydrophobicContact CG-CB 4.12Å
345T97.1Very high95.7Very high9 Ų934.3 Ų34.36%0.05518%0.183CC..  trans-127.273.9175.956.70000108.8F315 A316 S317 L347 G348 D353F315-T345 HydrophobicContact CE2-CG2 4.33Å; A316-T345 WeakPolarHBondContact CA-OG1 3.44Å; S317-T345 PolarHBondContact N-OG1 2.86Å; S317-T345 PolarHBondContact O-OG1 2.98Å; T345-L347 PolarHBondContact O-N 2.83Å; T345-L347 VanDerWaalsContact O-N 3.14Å; T345-G348 PolarHBondContact O-N 2.97Å; T345-D353 HydrophobicContact CG2-CB 4.26Å
346P95.2Very high95.9Very high48 Ų4834.3 Ų34.331%0.31218%0.183SC..THydrogen-bonded Turntrans-66.1-18.5-168.728.4-37.2000113.5P175P175-P346 HydrophobicContact CB-CB 4.09Å; P175-P346 HydrophobicContact CB-CG 3.51Å; P175-P346 HydrophobicContact CG-CB 3.99Å; P175-P346 HydrophobicContact CG-CG 3.9Å
347L94.8Very high96Very high51 Ų5134.9 Ų34.927%0.26719%0.188SC..THydrogen-bonded Turntrans-102.512.2175.6-59.9176.8000112.4K120 P175 T345 F351K120-L347 HydrophobicContact CG-CD1 3.91Å; P175-L347 HydrophobicContact CG-CD2 3.78Å; P175-L347 HydrophobicContact CG-CG 3.97Å; T345-L347 PolarHBondContact O-N 2.83Å; T345-L347 VanDerWaalsContact O-N 3.14Å; L347-F351 HydrophobicContact CB-CB 3.73Å; L347-F351 HydrophobicContact CD1-CB 4.03Å; L347-F351 HydrophobicContact CD1-CD1 4.3Å; L347-F351 HydrophobicContact CD1-CG 4.24Å
348G95Very high96Very high27 Ų2737 Ų3728%0.27820%0.198SC..G310 helixtrans60.3-145.6174.800000114.3T345 E350 F351T345-G348 PolarHBondContact O-N 2.97Å; G348-E350 PolarHBondContact O-N 2.82Å; G348-F351 CarbonylContact O-C 3.59Å; G348-F351 PolarHBondContact O-N 2.9Å
349M93Very high95.9Very high92 Ų9236.6 Ų36.645%0.45320%0.195SC..G310 helixtrans-75.2-5.6-178.2-71.8-59.1-57.500114.3A316 F351 P352 H382A316-M349 HydrophobicContact CB-CG 3.84Å; A316-M349 HydrophobicContact CB-SD 3.38Å; A316-M349 WeakPolarHBondContact CB-SD 3.43Å; M349-F351 VanDerWaalsContact C-N 3.3Å; M349-P352 HydrophobicContact CE-CB 4.42Å; M349-P352 WeakPolarHBondContact O-CD 3.28Å; M349-P352 HydrophobicContact SD-CB 4.27Å; M349-H382 HydrophobicContact SD-CB 4.31Å
350E91.5Very high95.7Very high169 Ų16943.3 Ų43.379%0.7923%0.226SC*.G310 helixtrans-71-33.5167.5-169.8-179.6173.800110.6G348G348-E350 PolarHBondContact O-N 2.82Å
351F94.3Very high95.6Very high20 Ų2045.6 Ų45.69%0.08824%0.239CC..SBendtrans-13863.8179.3-154.1-105.5000111.2S119 K120 I122 Y280 L347 G348 M349S119-F351 WeakPolarHBondContact O-CE1 3.36Å; K120-F351 VanDerWaalsContact C-CE2 3.44Å; K120-F351 WeakPolarHBondContact O-CE2 3.41Å; I122-F351 WeakPolarHBondContact O-CE1 3.26Å; Y280-F351 AromaticContact CD1-CD2 3.27Å; Y280-F351 HydrophobicContact CD1-CD2 3.27Å; Y280-F351 AromaticContact CD1-CE2 3.52Å; Y280-F351 HydrophobicContact CD1-CE2 3.52Å; Y280-F351 HydrophobicContact CD1-CG 4.08Å; Y280-F351 HydrophobicContact CD1-CZ 4.48Å; Y280-F351 HydrophobicContact CD2-CD2 4.19Å; Y280-F351 AromaticContact CD2-CE2 3.58Å; Y280-F351 HydrophobicContact CD2-CE2 3.58Å; Y280-F351 AromaticContact CD2-CZ 3.94Å; Y280-F351 HydrophobicContact CD2-CZ 3.94Å; Y280-F351 AromaticContact CE1-CD2 3.79Å; Y280-F351 HydrophobicContact CE1-CD2 3.79Å; Y280-F351 HydrophobicContact CE1-CE2 4.17Å; Y280-F351 HydrophobicContact CE1-CG 4.15Å; Y280-F351 HydrophobicContact CE2-CE2 4.24Å; Y280-F351 HydrophobicContact CE2-CZ 4.36Å; Y280-F351 AromaticContact CG-CD2 3.49Å; Y280-F351 HydrophobicContact CG-CD2 3.49Å; Y280-F351 VanDerWaalsContact CG-CD2 3.49Å; Y280-F351 AromaticContact CG-CE2 3.16Å; Y280-F351 HydrophobicContact CG-CE2 3.16Å; Y280-F351 HydrophobicContact CG-CZ 4Å; L347-F351 HydrophobicContact CB-CB 3.73Å; L347-F351 HydrophobicContact CD1-CB 4.03Å; L347-F351 HydrophobicContact CD1-CD1 4.3Å; L347-F351 HydrophobicContact CD1-CG 4.24Å; G348-F351 CarbonylContact O-C 3.59Å; G348-F351 PolarHBondContact O-N 2.9Å; M349-F351 VanDerWaalsContact C-N 3.3Å
352P96.8Very high95.4Very high2 Ų247.9 Ų47.91%0.01326%0.26CS..  trans-66.7164.7-178.328.3-37.1000111.4Y280 A282 C314 F315 M349Y280-P352 PolarHBondContact OH-O 2.85Å; A282-P352 HydrophobicContact CB-CG 3.78Å; C314-P352 WeakPolarHBondContact SG-CG 3.32Å; F315-P352 CarbonylContact O-C 3.48Å; F315-P352 VanDerWaalsContact O-CA 3.31Å; F315-P352 WeakPolarHBondContact O-CA 3.4Å; F315-P352 WeakPolarHBondContact O-CB 3.48Å; M349-P352 HydrophobicContact CE-CB 4.42Å; M349-P352 WeakPolarHBondContact O-CD 3.28Å; M349-P352 HydrophobicContact SD-CB 4.27Å
353D97.6Very high95.2Very high8 Ų847.6 Ų47.64%0.04326%0.264CS..EExtended strand (participates in β ladder)trans-72.6134.5158.6-176.268.5000108.7R125 W313 C314 F315 T345R125-D353 WeakPolarHBondContact CB-OD1 3.32Å; R125-D353 IonicContact CZ-OD1 2.73Å; R125-D353 IonicContact CZ-OD2 3.99Å; R125-D353 IonicContact NE-OD1 3.43Å; R125-D353 PolarHBondContact NE-OD1 3.1Å; R125-D353 IonicContact NE-OD2 3.1Å; R125-D353 PolarHBondContact NE-OD2 2.78Å; R125-D353 VanDerWaalsContact NE-OD2 3.09Å; R125-D353 IonicContact NH2-OD1 2.97Å; R125-D353 IonicContact NH2-OD2 3.37Å; R125-D353 PolarHBondContact NH2-OD2 3.14Å; W313-D353 PolarHBondContact NE1-OD2 3.44Å; C314-D353 CarbonylContact C-O 3.6Å; C314-D353 VanDerWaalsContact CA-O 3.27Å; C314-D353 WeakPolarHBondContact CA-O 3.38Å; F315-D353 HydrophobicContact CD1-CB 3.96Å; F315-D353 HydrophobicContact CD2-CB 4.46Å; F315-D353 HydrophobicContact CE1-CB 3.51Å; F315-D353 WeakPolarHBondContact CE1-OD2 3.43Å; F315-D353 HydrophobicContact CE2-CB 4.05Å; F315-D353 HydrophobicContact CG-CB 4.41Å; F315-D353 HydrophobicContact CZ-CB 3.55Å; F315-D353 PolarHBondContact N-O 2.88Å; F315-D353 PolarHBondContact O-N 2.77Å; T345-D353 HydrophobicContact CG2-CB 4.26Å
354Q97.3Very high95Very high34 Ų3451.6 Ų51.616%0.15928%0.282CS..EExtended strand (participates in β ladder)trans-149.4154.8176.775.1-169100111.1Y280 K281 W313 C314Y280-Q354 VanDerWaalsContact OH-CD 3.22Å; Y280-Q354 WeakPolarHBondContact OH-CG 2.99Å; Y280-Q354 PolarHBondContact OH-NE2 2.76Å; K281-Q354 PolarHBondContact O-NE2 3.17Å; W313-Q354 VanDerWaalsContact O-CA 3.28Å; W313-Q354 WeakPolarHBondContact O-CA 3.31Å; W313-Q354 WeakPolarHBondContact O-CB 3.04Å; C314-Q354 HydrophobicContact CB-CB 4.09Å
355G96.3Very high95Very high12 Ų1251.6 Ų51.612%0.12428%0.282CS..EExtended strand (participates in β ladder)trans-172-170.9178.400000112W313W313-G355 VanDerWaalsContact CE3-C 3.44Å; W313-G355 VanDerWaalsContact CZ2-CA 3.47Å; W313-G355 VanDerWaalsContact CZ3-C 3.44Å; W313-G355 PolarHBondContact N-O 2.94Å; W313-G355 VanDerWaalsContact N-O 3.13Å; W313-G355 PolarHBondContact O-N 3.43Å
356N96.4Very high94.9Very high65 Ų6551.4 Ų51.435%0.34828%0.281SS..EExtended strand (participates in β ladder)trans-156.3157.1171.468102.3000109.4R310 L311 L312 W313R310-N356 PolarHBondContact NE-OD1 2.93Å; R310-N356 VanDerWaalsContact NE-OD1 3.13Å; R310-N356 PolarHBondContact NH2-OD1 3.25Å; L311-N356 CarbonylContact O-C 3.57Å; L311-N356 WeakPolarHBondContact O-CA 3.37Å; L311-N356 WeakPolarHBondContact O-CB 3.19Å; L312-N356 HydrophobicContact CB-CB 4.44Å; L312-N356 HydrophobicContact CG-CB 3.82Å; W313-N356 VanDerWaalsContact CZ3-CA 3.42Å
357V96Very high95.1Very high28 Ų2849.1 Ų49.117%0.1727%0.267CS..EExtended strand (participates in β ladder)trans-142.8145.1174.766.20000110.3R310 L311 W313 I337 V338R310-V357 WeakPolarHBondContact CA-O 3.46Å; L311-V357 HydrophobicContact CB-CG1 4.18Å; L311-V357 PolarHBondContact N-O 3.12Å; L311-V357 PolarHBondContact O-N 3.28Å; W313-V357 HydrophobicContact CZ3-CB 4.46Å; W313-V357 HydrophobicContact CZ3-CG1 4.45Å; I337-V357 HydrophobicContact CG2-CB 4.17Å; I337-V357 HydrophobicContact CG2-CG1 3.78Å; I337-V357 HydrophobicContact CG2-CG2 3.42Å; I337-V357 VanDerWaalsContact CG2-CG2 3.42Å; V338-V357 HydrophobicContact CG2-CB 4.39Å; V338-V357 HydrophobicContact CG2-CG1 4.34Å
358M96.5Very high95.2Very high91 Ų9147 Ų4745%0.44826%0.255SS..EExtended strand (participates in β ladder)trans-78.3131.2173.9-170.25762.200109.8R310R310-M358 HydrophobicContact CG-CE 3.19Å; R310-M358 HydrophobicContact CG-SD 3.75Å
359C95.2Very high95.4Very high0 Ų045.8 Ų45.80%024%0.242CC..  trans-96.597178.9-66.90000109.8I305 G308 Q309 Q361 Y365I305-C359 HydrophobicContact CB-CB 4.48Å; I305-C359 HydrophobicContact CG2-CB 3.65Å; G308-C359 PolarHBondContact N-O 3.13Å; Q309-C359 VanDerWaalsContact O-CB 3.3Å; Q309-C359 WeakPolarHBondContact O-CB 3.28Å; Q309-C359 PolarHBondContact O-N 3Å; C359-Q361 PolarHBondContact O-N 3.09Å; C359-Y365 HydrophobicContact CB-CE1 4.17Å; C359-Y365 HydrophobicContact CB-CE2 3.94Å; C359-Y365 WeakPolarHBondContact CB-OH 3.35Å; C359-Y365 VanDerWaalsContact SG-CZ 3.6Å
360E93.3Very high95.6Very high147 Ų14743.7 Ų43.769%0.68723%0.229SC*.  trans-70.9-15.7-176-60.2-174.216200114.1K307K307-E360 WeakPolarHBondContact CD-O 3.2Å; K307-E360 WeakPolarHBondContact CE-O 3.32Å; K307-E360 VanDerWaalsContact CG-O 3.28Å; K307-E360 WeakPolarHBondContact CG-O 3.27Å
361Q92.9Very high95.9Very high102 Ų10235.6 Ų35.648%0.47719%0.192SC..SBendtrans-129.2142.1179.9-60.5178.623.600110.2K327 C359 Y365K327-Q361 HydrophobicContact CD-CB 4.38Å; C359-Q361 PolarHBondContact O-N 3.09Å; Q361-Y365 WeakPolarHBondContact O-CE2 3.35Å; Q361-Y365 PolarHBondContact O-OH 2.94Å
362A93.4Very high95.7Very high59 Ų5935.4 Ų35.449%0.48819%0.192SC..  trans-67.7144.5168.300000110.2I305 K307 K327I305-A362 CarbonylContact O-C 3.53Å; I305-A362 VanDerWaalsContact O-CA 3.27Å; I305-A362 WeakPolarHBondContact O-CA 3.38Å; K307-A362 HydrophobicContact CB-CB 4.5Å; K327-A362 WeakPolarHBondContact CE-O 3.39Å
363G92.3Very high95Very high30 Ų3040.2 Ų40.231%0.30921%0.214SC..EExtended strand (participates in β ladder)trans158.1-169.2176.200000113.7I305I305-G363 PolarHBondContact N-O 3.37Å; I305-G363 PolarHBondContact O-N 2.85Å
364E93.4Very high94.2Very high85 Ų8545.6 Ų45.640%0.39725%0.247SC..EExtended strand (participates in β ladder)trans-96.1120.8174.6-168.917278.200110.2R302R302-E364 HydrophobicContact CB-CG 3.85Å; R302-E364 WeakPolarHBondContact CD-OE1 3.4Å; R302-E364 HydrophobicContact CG-CG 4.02Å; R302-E364 IonicContact NE-OE1 3.02Å; R302-E364 PolarHBondContact NE-OE1 2.66Å
365Y95.9Very high93.4Very high4 Ų445.1 Ų45.12%0.01625%0.248CC..EExtended strand (participates in β ladder)trans-102.7142.5176.3-69.6-105.5000109.3R302 V303 I305 Y326 K327 I337 C359 Q361R302-Y365 CarbonylContact C-O 3.58Å; R302-Y365 WeakPolarHBondContact CA-O 3.41Å; V303-Y365 PolarHBondContact N-O 3.43Å; V303-Y365 PolarHBondContact O-N 3.09Å; I305-Y365 HydrophobicContact CB-CD2 3.78Å; I305-Y365 HydrophobicContact CB-CE2 3.95Å; I305-Y365 HydrophobicContact CD1-CD2 3.81Å; I305-Y365 HydrophobicContact CD1-CG 3.97Å; I305-Y365 HydrophobicContact CG1-CD2 3.91Å; Y326-Y365 CarbonylContact O-C 3.56Å; Y326-Y365 WeakPolarHBondContact O-CA 3.27Å; K327-Y365 HydrophobicContact CB-CD1 3.99Å; K327-Y365 HydrophobicContact CB-CE1 3.91Å; K327-Y365 HydrophobicContact CD-CE1 4.19Å; K327-Y365 HydrophobicContact CD-CE2 4.14Å; K327-Y365 HydrophobicContact CG-CE1 4.45Å; I337-Y365 HydrophobicContact CD1-CE1 4.46Å; I337-Y365 HydrophobicContact CG1-CD1 4.28Å; I337-Y365 HydrophobicContact CG1-CE1 4Å; C359-Y365 HydrophobicContact CB-CE1 4.17Å; C359-Y365 HydrophobicContact CB-CE2 3.94Å; C359-Y365 WeakPolarHBondContact CB-OH 3.35Å; C359-Y365 VanDerWaalsContact SG-CZ 3.6Å; Q361-Y365 WeakPolarHBondContact O-CE2 3.35Å; Q361-Y365 PolarHBondContact O-OH 2.94Å
366A96.5Very high92.9Very high5 Ų553.4 Ų53.44%0.04128%0.281CS..EExtended strand (participates in β ladder)trans-111.1125.5179.700000110I300 I325 Y326I300-A366 HydrophobicContact CG2-CB 3.76Å; I325-A366 VanDerWaalsContact CA-O 3.28Å; I325-A366 WeakPolarHBondContact CA-O 3.46Å; Y326-A366 HydrophobicContact CD1-CB 4.24Å; Y326-A366 HydrophobicContact CD2-CB 3.88Å; Y326-A366 HydrophobicContact CE1-CB 3.85Å; Y326-A366 HydrophobicContact CE2-CB 3.43Å; Y326-A366 VanDerWaalsContact CE2-CB 3.43Å; Y326-A366 HydrophobicContact CG-CB 4.26Å; Y326-A366 VanDerWaalsContact CZ-CB 3.41Å; Y326-A366 PolarHBondContact N-O 3.3Å; Y326-A366 VanDerWaalsContact N-O 3.09Å; Y326-A366 PolarHBondContact O-N 2.91Å
367I98Very high92.7Very high1 Ų157.8 Ų57.81%0.00530%0.297CS..EExtended strand (participates in β ladder)trans-93.2109.8164.6-52.3174000106.6I300 R301 V303 L311 F323 I325 F369 W385I300-I367 WeakPolarHBondContact CA-O 3.24Å; R301-I367 HydrophobicContact CB-CB 4.33Å; R301-I367 PolarHBondContact N-O 2.93Å; R301-I367 PolarHBondContact O-N 2.91Å; V303-I367 HydrophobicContact CG2-CD1 4.34Å; L311-I367 HydrophobicContact CD1-CD1 4.29Å; L311-I367 HydrophobicContact CD2-CD1 4.43Å; L311-I367 HydrophobicContact CD2-CG1 4.14Å; F323-I367 HydrophobicContact CE2-CG2 3.59Å; F323-I367 HydrophobicContact CZ-CG2 4.09Å; I325-I367 HydrophobicContact CD1-CG1 4.42Å; I325-I367 HydrophobicContact CG1-CG1 4.43Å; I367-F369 HydrophobicContact CG2-CD2 4.46Å; I367-F369 HydrophobicContact CG2-CE2 3.62Å; I367-F369 HydrophobicContact CG2-CZ 3.73Å; I367-W385 HydrophobicContact CD1-CB 3.8Å; I367-W385 HydrophobicContact CD1-CG 4.21Å
368E97.8Very high92.6Very high5 Ų560 Ų602%0.02331%0.311CS..EExtended strand (participates in β ladder)trans-105.1131.1-176.4-177-1726000111.1I300 F323 S324 Y326 R340 R370I300-E368 HydrophobicContact CG1-CB 4.22Å; I300-E368 HydrophobicContact CG1-CG 4.08Å; F323-E368 WeakPolarHBondContact CA-O 3.49Å; S324-E368 PolarHBondContact N-O 2.84Å; S324-E368 VanDerWaalsContact N-O 3.17Å; S324-E368 PolarHBondContact O-N 3.14Å; S324-E368 PolarHBondContact OG-OE1 2.94Å; S324-E368 VanDerWaalsContact OG-OE1 3.14Å; Y326-E368 HydrophobicContact CD1-CB 4.46Å; Y326-E368 HydrophobicContact CE1-CB 3.81Å; Y326-E368 HydrophobicContact CE1-CG 4.44Å; R340-E368 IonicContact CZ-OE1 2.82Å; R340-E368 IonicContact NE-OE1 2.78Å; R340-E368 PolarHBondContact NE-OE1 2.98Å; R340-E368 VanDerWaalsContact NE-OE1 3.1Å; R340-E368 IonicContact NH2-OE1 3.45Å; R340-E368 PolarHBondContact NH2-OE1 2.82Å; E368-R370 IonicContact OE2-CZ 2.92Å; E368-R370 IonicContact OE2-NE 3.39Å; E368-R370 IonicContact OE2-NH2 2.68Å; E368-R370 PolarHBondContact OE2-NH2 3.05Å
369F98.4Very high92.6Very high2 Ų255.9 Ų55.91%0.00929%0.29CS..EExtended strand (participates in β ladder)trans-119124.3167.4-55.6-86.5000108.4I293 L298 H299 F315 L321 F323 I367 V381 Y383I293-F369 HydrophobicContact CD1-CB 3.58Å; L298-F369 CarbonylContact C-O 3.45Å; L298-F369 VanDerWaalsContact CA-O 3.27Å; L298-F369 WeakPolarHBondContact CA-O 3.23Å; H299-F369 PolarHBondContact N-O 2.89Å; H299-F369 PolarHBondContact O-N 2.85Å; F315-F369 HydrophobicContact CB-CE1 4.02Å; F315-F369 HydrophobicContact CB-CZ 4.28Å; F315-F369 AromaticContact CD1-CE1 3.69Å; F315-F369 HydrophobicContact CD1-CE1 3.69Å; F315-F369 HydrophobicContact CD1-CZ 4.29Å; F315-F369 AromaticContact CD2-CE1 3.94Å; F315-F369 HydrophobicContact CD2-CE1 3.94Å; F315-F369 HydrophobicContact CE1-CE1 4.06Å; F315-F369 HydrophobicContact CE2-CE1 4.31Å; F315-F369 AromaticContact CG-CE1 3.63Å; F315-F369 HydrophobicContact CG-CE1 3.63Å; F315-F369 HydrophobicContact CG-CZ 4.3Å; F315-F369 HydrophobicContact CZ-CE1 4.37Å; L321-F369 HydrophobicContact CD1-CD1 4.12Å; L321-F369 HydrophobicContact CD2-CD1 3.99Å; F323-F369 AromaticContact CD2-CD1 3.69Å; F323-F369 HydrophobicContact CD2-CD1 3.69Å; F323-F369 AromaticContact CD2-CE1 3.41Å; F323-F369 HydrophobicContact CD2-CE1 3.41Å; F323-F369 VanDerWaalsContact CD2-CE1 3.41Å; F323-F369 HydrophobicContact CD2-CZ 4.09Å; F323-F369 HydrophobicContact CE2-CD1 4.25Å; F323-F369 AromaticContact CE2-CE1 3.57Å; F323-F369 HydrophobicContact CE2-CE1 3.57Å; F323-F369 AromaticContact CE2-CZ 3.8Å; F323-F369 HydrophobicContact CE2-CZ 3.8Å; I367-F369 HydrophobicContact CG2-CD2 4.46Å; I367-F369 HydrophobicContact CG2-CE2 3.62Å; I367-F369 HydrophobicContact CG2-CZ 3.73Å; F369-V381 HydrophobicContact CD1-CG1 3.8Å; F369-V381 HydrophobicContact CE1-CG1 3.81Å; F369-V381 HydrophobicContact CG-CG1 4.26Å; F369-V381 HydrophobicContact CZ-CG1 4.27Å; F369-Y383 HydrophobicContact CE2-CD1 4.02Å; F369-Y383 AromaticContact CE2-CD2 3.8Å; F369-Y383 HydrophobicContact CE2-CD2 3.8Å; F369-Y383 HydrophobicContact CE2-CE1 4.36Å; F369-Y383 HydrophobicContact CE2-CE2 4.17Å; F369-Y383 AromaticContact CE2-CG 3.73Å; F369-Y383 HydrophobicContact CE2-CG 3.73Å; F369-Y383 HydrophobicContact CZ-CD1 4.3Å; F369-Y383 AromaticContact CZ-CD2 3.97Å; F369-Y383 HydrophobicContact CZ-CD2 3.97Å; F369-Y383 AromaticContact CZ-CG 3.72Å; F369-Y383 HydrophobicContact CZ-CG 3.72Å
370R97.6Very high92.8Very high48 Ų4861.4 Ų61.418%0.18131%0.314CS..EExtended strand (participates in β ladder)trans-124.6128.9177.8175-173.2-54.9-87-2.9110.2L298 L321 E322 E368 V372L298-R370 HydrophobicContact CB-CB 4.1Å; L298-R370 HydrophobicContact CB-CG 4.34Å; L321-R370 CarbonylContact C-O 3.54Å; L321-R370 WeakPolarHBondContact CA-O 3.41Å; L321-R370 WeakPolarHBondContact CB-O 3.36Å; E322-R370 HydrophobicContact CB-CB 4.12Å; E322-R370 PolarHBondContact N-O 3.39Å; E322-R370 PolarHBondContact O-N 2.85Å; E322-R370 WeakPolarHBondContact OE2-CD 3.45Å; E322-R370 IonicContact OE2-NE 3.74Å; E368-R370 IonicContact OE2-CZ 2.92Å; E368-R370 IonicContact OE2-NE 3.39Å; E368-R370 IonicContact OE2-NH2 2.68Å; E368-R370 PolarHBondContact OE2-NH2 3.05Å; R370-V372 PolarHBondContact O-N 3.06Å
371N97Very high93Very high0 Ų054.4 Ų54.40%028%0.282CS..EExtended strand (participates in β ladder)trans-69.6128.2172.8-169-15000108.4I293 K294 N297 H373 S375 F377 I379I293-N371 HydrophobicContact CB-CB 4.35Å; I293-N371 HydrophobicContact CG2-CB 3.82Å; I293-N371 PolarHBondContact O-ND2 2.81Å; K294-N371 VanDerWaalsContact O-CB 3.3Å; K294-N371 WeakPolarHBondContact O-CB 3.48Å; K294-N371 PolarHBondContact O-ND2 3Å; N297-N371 PolarHBondContact O-N 2.91Å; N371-H373 PolarHBondContact O-N 2.74Å; N371-S375 VanDerWaalsContact OD1-CB 3.24Å; N371-S375 WeakPolarHBondContact OD1-CB 3.4Å; N371-F377 PolarHBondContact ND2-O 2.83Å; N371-I379 HydrophobicContact CB-CD1 3.89Å; N371-I379 HydrophobicContact CB-CG1 4.12Å
372V89.9Confident93.3Very high16 Ų1654.2 Ų54.210%0.09728%0.281CS..  trans-56.9136.3-174.6-63.90000110.4K320 E322 V342 R370 T374 S375K320-V372 HydrophobicContact CB-CG1 4.38Å; K320-V372 HydrophobicContact CB-CG2 4.45Å; E322-V372 HydrophobicContact CG-CG1 4.43Å; V342-V372 HydrophobicContact CG1-CG1 3.77Å; V342-V372 HydrophobicContact CG2-CG1 4.32Å; R370-V372 PolarHBondContact O-N 3.06Å; V372-T374 PolarHBondContact O-N 2.67Å; V372-S375 WeakPolarHBondContact O-CB 3.49Å; V372-S375 PolarHBondContact O-N 3.19Å
373H82.3Confident93.5Very high102 Ų10252 Ų5247%0.47226%0.259SS..THydrogen-bonded Turntrans-58.9-23.2-173.6-68.3-70.5000114.4S296 N371S296-H373 PolarHBondContact OG-ND1 2.99Å; N371-H373 PolarHBondContact O-N 2.74Å
374T81.2Confident93.8Very high121 Ų12151.1 Ų51.174%0.74225%0.249SC*.THydrogen-bonded Turntrans-90.3-3.4179.256.30000113.7V372V372-T374 PolarHBondContact O-N 2.67Å
375S81.6Confident94.1Very high24 Ų2447.9 Ų47.917%0.16823%0.233CC..  trans-78.2138.7177.8-176.40000110.6P295 N371 V372 F377P295-S375 WeakPolarHBondContact CB-O 3.3Å; N371-S375 VanDerWaalsContact OD1-CB 3.24Å; N371-S375 WeakPolarHBondContact OD1-CB 3.4Å; V372-S375 WeakPolarHBondContact O-CB 3.49Å; V372-S375 PolarHBondContact O-N 3.19Å; S375-F377 PolarHBondContact OG-N 3.26Å; S375-F377 PolarHBondContact OG-O 3.36Å
376F86Confident94.2Very high186 Ų18647.9 Ų47.982%0.81623%0.234SC*.  trans-97-6.4165.9-58.6-77.3000112.2
377F91.4Very high94.3Very high157 Ų15749.9 Ų49.969%0.68925%0.246SC*.SBendtrans-100.9139.3-174.6-58.1-73.2000111.4N371 S375N371-F377 PolarHBondContact ND2-O 2.83Å; S375-F377 PolarHBondContact OG-N 3.26Å; S375-F377 PolarHBondContact OG-O 3.36Å
378V94.7Very high94.1Very high76 Ų7656.4 Ų56.446%0.46128%0.276SS..  trans-68.4134.2166.41800000108.6T292T292-V378 HydrophobicContact CG2-CG1 3.14Å
379I96.4Very high94Very high3 Ų359 Ų592%0.01529%0.289CS..EExtended strand (participates in β ladder)trans-107.1147.2175.763.7174.6000110.5T292 I293 L321 N371 V381T292-I379 CarbonylContact C-O 3.59Å; T292-I379 WeakPolarHBondContact CA-O 3.48Å; I293-I379 HydrophobicContact CB-CD1 4.34Å; I293-I379 HydrophobicContact CB-CG1 3.84Å; I293-I379 HydrophobicContact CD1-CD1 4.43Å; I293-I379 HydrophobicContact CG1-CG1 4.47Å; I293-I379 PolarHBondContact N-O 2.81Å; I293-I379 PolarHBondContact O-N 3.45Å; I293-I379 VanDerWaalsContact O-N 3.08Å; L321-I379 HydrophobicContact CB-CD1 3.62Å; L321-I379 HydrophobicContact CD2-CD1 4.08Å; L321-I379 HydrophobicContact CG-CD1 4.5Å; N371-I379 HydrophobicContact CB-CD1 3.89Å; N371-I379 HydrophobicContact CB-CG1 4.12Å; I379-V381 HydrophobicContact CD1-CG2 4.29Å
380K98Very high93.7Very high117 Ų11762 Ų6251%0.50930%0.303SS..EExtended strand (participates in β ladder)trans-107.9133.7168.9-61.5-179.5-178.2179.10108.7V291 S317 T318V291-K380 CarbonylContact O-C 3.49Å; V291-K380 WeakPolarHBondContact O-CA 3.39Å; S317-K380 VanDerWaalsContact CA-O 3.31Å; S317-K380 WeakPolarHBondContact CA-O 3.42Å; T318-K380 HydrophobicContact CG2-CB 3.9Å; T318-K380 PolarHBondContact N-O 2.79Å; T318-K380 PolarHBondContact OG1-N 3.42Å
381V98.5Very high93.5Very high0 Ų062.8 Ų62.80%031%0.31CS..EExtended strand (participates in β ladder)trans-120.5121.1178.1-173.30000108.6A290 V291 I293 F315 A316 L321 F369 I379 Y383A290-V381 CarbonylContact C-O 3.54Å; A290-V381 VanDerWaalsContact CA-O 3.32Å; A290-V381 WeakPolarHBondContact CA-O 3.34Å; V291-V381 HydrophobicContact CG2-CB 3.95Å; V291-V381 PolarHBondContact N-O 3.38Å; V291-V381 PolarHBondContact O-N 2.84Å; I293-V381 HydrophobicContact CD1-CG2 3.82Å; I293-V381 HydrophobicContact CG1-CG2 4.48Å; F315-V381 HydrophobicContact CB-CG1 4.35Å; F315-V381 HydrophobicContact CD2-CG1 4.33Å; A316-V381 WeakPolarHBondContact O-CA 3.1Å; L321-V381 HydrophobicContact CD2-CG1 4.39Å; L321-V381 HydrophobicContact CD2-CG2 3.53Å; F369-V381 HydrophobicContact CD1-CG1 3.8Å; F369-V381 HydrophobicContact CE1-CG1 3.81Å; F369-V381 HydrophobicContact CG-CG1 4.26Å; F369-V381 HydrophobicContact CZ-CG1 4.27Å; I379-V381 HydrophobicContact CD1-CG2 4.29Å; V381-Y383 HydrophobicContact CG1-CD1 4.37Å
382H98.4Very high93.3Very high98 Ų9866.5 Ų66.545%0.45433%0.328SS..EExtended strand (participates in β ladder)trans-100118.7166.9-66.1-90.7000107.2A290 F315 A316 M349A290-H382 WeakPolarHBondContact CB-ND1 3.3Å; F315-H382 CarbonylContact C-O 3.43Å; F315-H382 WeakPolarHBondContact CA-O 3.27Å; F315-H382 WeakPolarHBondContact CB-O 3.23Å; A316-H382 PolarHBondContact N-O 3.12Å; A316-H382 PolarHBondContact O-N 3.45Å; M349-H382 HydrophobicContact SD-CB 4.31Å
383Y98.5Very high93.5Very high11 Ų1169.6 Ų69.64%0.04334%0.343CS..EExtended strand (participates in β ladder)trans-137.1152.9-177.573.7-78.7000111.7S288 S289 V291 H299 R301 C314 F369 V381 W385S288-Y383 CarbonylContact C-O 3.54Å; S288-Y383 WeakPolarHBondContact CA-O 3.24Å; S289-Y383 PolarHBondContact N-O 3.42Å; S289-Y383 PolarHBondContact O-N 3.39Å; S289-Y383 VanDerWaalsContact O-O 3.11Å; V291-Y383 HydrophobicContact CG1-CE1 4.11Å; V291-Y383 HydrophobicContact CG2-CD1 4.43Å; V291-Y383 HydrophobicContact CG2-CE1 4.11Å; H299-Y383 AromaticContact NE2-CE1 3.81Å; H299-Y383 AromaticContact NE2-CZ 3.64Å; H299-Y383 PolarHBondContact NE2-OH 3.02Å; R301-Y383 HydrophobicContact CB-CE2 3.88Å; R301-Y383 HydrophobicContact CG-CE2 4.1Å; C314-Y383 CarbonylContact O-C 3.56Å; C314-Y383 VanDerWaalsContact O-CA 3.28Å; C314-Y383 WeakPolarHBondContact O-CA 3.42Å; F369-Y383 HydrophobicContact CE2-CD1 4.02Å; F369-Y383 AromaticContact CE2-CD2 3.8Å; F369-Y383 HydrophobicContact CE2-CD2 3.8Å; F369-Y383 HydrophobicContact CE2-CE1 4.36Å; F369-Y383 HydrophobicContact CE2-CE2 4.17Å; F369-Y383 AromaticContact CE2-CG 3.73Å; F369-Y383 HydrophobicContact CE2-CG 3.73Å; F369-Y383 HydrophobicContact CZ-CD1 4.3Å; F369-Y383 AromaticContact CZ-CD2 3.97Å; F369-Y383 HydrophobicContact CZ-CD2 3.97Å; F369-Y383 AromaticContact CZ-CG 3.72Å; F369-Y383 HydrophobicContact CZ-CG 3.72Å; V381-Y383 HydrophobicContact CG1-CD1 4.37Å; Y383-W385 AromaticContact CD2-CE3 3.75Å; Y383-W385 HydrophobicContact CD2-CE3 3.75Å; Y383-W385 HydrophobicContact CD2-CZ3 4.07Å; Y383-W385 AromaticContact CE2-CE3 3.42Å; Y383-W385 HydrophobicContact CE2-CE3 3.42Å; Y383-W385 VanDerWaalsContact CE2-CE3 3.42Å; Y383-W385 AromaticContact CE2-CZ3 3.43Å; Y383-W385 HydrophobicContact CE2-CZ3 3.43Å; Y383-W385 VanDerWaalsContact CE2-CZ3 3.43Å
384S98.6Very high94.2Very high12 Ų1267.5 Ų67.58%0.08433%0.334CS..EExtended strand (participates in β ladder)trans-136.5154.217561.80000110.6N287 W313 C314N287-S384 CarbonylContact O-C 3.6Å; N287-S384 WeakPolarHBondContact O-CA 3.47Å; N287-S384 WeakPolarHBondContact O-CB 3.41Å; W313-S384 WeakPolarHBondContact CA-O 3.28Å; C314-S384 PolarHBondContact N-O 2.8Å; C314-S384 PolarHBondContact O-N 3.34Å
385W98.4Very high95.2Very high17 Ų1763.6 Ų63.66%0.06431%0.305CS..EExtended strand (participates in β ladder)trans-147.5157.5-179.472.394.4000112.3N287 R301 V303 L312 I367 Y383N287-W385 HydrophobicContact CB-CD2 3.67Å; N287-W385 HydrophobicContact CB-CE3 4.03Å; N287-W385 HydrophobicContact CB-CG 4.23Å; N287-W385 HydrophobicContact CB-CH2 3.78Å; N287-W385 HydrophobicContact CB-CZ2 3.38Å; N287-W385 HydrophobicContact CB-CZ3 4.09Å; N287-W385 WeakPolarHBondContact CB-O 3.13Å; N287-W385 PolarHBondContact N-O 3.03Å; N287-W385 PolarHBondContact ND2-O 2.84Å; N287-W385 PolarHBondContact O-N 3.12Å; R301-W385 HydrophobicContact CG-CD2 4.28Å; R301-W385 HydrophobicContact CG-CE3 4.35Å; R301-W385 HydrophobicContact CG-CH2 4.32Å; R301-W385 HydrophobicContact CG-CZ2 4.25Å; R301-W385 HydrophobicContact CG-CZ3 4.36Å; R301-W385 VanDerWaalsContact CZ-CZ2 3.47Å; R301-W385 VanDerWaalsContact NH2-CZ2 3.3Å; V303-W385 HydrophobicContact CG2-CG 4.49Å; L312-W385 WeakPolarHBondContact O-CA 3.12Å; L312-W385 WeakPolarHBondContact O-CB 3.33Å; I367-W385 HydrophobicContact CD1-CB 3.8Å; I367-W385 HydrophobicContact CD1-CG 4.21Å; Y383-W385 AromaticContact CD2-CE3 3.75Å; Y383-W385 HydrophobicContact CD2-CE3 3.75Å; Y383-W385 HydrophobicContact CD2-CZ3 4.07Å; Y383-W385 AromaticContact CE2-CE3 3.42Å; Y383-W385 HydrophobicContact CE2-CE3 3.42Å; Y383-W385 VanDerWaalsContact CE2-CE3 3.42Å; Y383-W385 AromaticContact CE2-CZ3 3.43Å; Y383-W385 HydrophobicContact CE2-CZ3 3.43Å; Y383-W385 VanDerWaalsContact CE2-CZ3 3.43Å
386A98.4Very high96.2Very high4 Ų466.7 Ų66.73%0.03332%0.316CS..EExtended strand (participates in β ladder)trans-141.3154.5172.700000110L285 P286 L311 L312L285-A386 HydrophobicContact CB-CB 4.37Å; L285-A386 HydrophobicContact CD2-CB 4.09Å; P286-A386 HydrophobicContact CG-CB 4.28Å; L311-A386 WeakPolarHBondContact CD1-O 3.36Å; L312-A386 HydrophobicContact CB-CB 4.2Å; L312-A386 HydrophobicContact CD1-CB 4.43Å; L312-A386 PolarHBondContact N-O 2.93Å; L312-A386 PolarHBondContact O-N 2.89Å; L312-A386 VanDerWaalsContact O-N 3.09Å
387V98.1Very high97.1Very high48 Ų4856.8 Ų56.829%0.29127%0.274SS..EExtended strand (participates in β ladder)trans-117.4123.7164.6-1770000106.3V303 I305 Q309 R310 L311V303-V387 HydrophobicContact CG1-CG2 3.39Å; I305-V387 HydrophobicContact CD1-CG2 4.11Å; I305-V387 HydrophobicContact CG1-CG1 4.26Å; I305-V387 HydrophobicContact CG1-CG2 3.92Å; I305-V387 HydrophobicContact CG2-CG1 3.92Å; Q309-V387 HydrophobicContact CB-CG1 3.91Å; Q309-V387 HydrophobicContact CG-CG1 4.38Å; R310-V387 VanDerWaalsContact O-CA 3.3Å; R310-V387 WeakPolarHBondContact O-CA 3.41Å; L311-V387 HydrophobicContact CD1-CG2 4.37Å
388E95.5Very high97.6Very high138 Ų13847.6 Ų47.665%0.64524%0.236SC*.  trans-116.80-179.6-70.4173.3-172.600110.6Q309 R310 L312Q309-E388 CarbonylContact C-O 3.59Å; Q309-E388 VanDerWaalsContact CA-O 3.23Å; Q309-E388 WeakPolarHBondContact CA-O 3.47Å; Q309-E388 WeakPolarHBondContact CB-O 3.27Å; R310-E388 PolarHBondContact N-O 2.92Å; R310-E388 PolarHBondContact O-N 2.9Å; L312-E388 HydrophobicContact CD1-CB 3.98Å; L312-E388 HydrophobicContact CD1-CG 3.78Å

Retrieved 388 of 388 residues in 362.3 ms (Link to these results)

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