A0A5K4EKL2_SCHMA Loading...

Glycerol-3-phosphate dehydrogenase

AlphaFold DB , UniProt , Accession A0A5K4EKL2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 721 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
1M52.3Low53.8Low212 Ų212134.9 Ų134.9100%1.04465%0.65SS**  0-37.80-74.7-173.5-168.600115.1A3 F4 R5M1-A3 PolarHBondContact O-N 2.81Å; M1-F4 PolarHBondContact O-N 3.43Å; M1-R5 PolarHBondContact O-N 3.15Å
2S63.8Low54.1Low91 Ų91132.6 Ų132.664%0.63665%0.65SS**Hα-helixtrans-66-34.7-176.876.20000114.1R5 R6S2-R5 PolarHBondContact O-N 3.03Å; S2-R6 PolarHBondContact O-N 3.26Å; S2-R6 VanDerWaalsContact O-N 3.09Å
3A52.4Low53.7Low62 Ų62130.8 Ų130.851%0.51264%0.644SS.*Hα-helixtrans-61.7-43.7174.400000112.1M1 R5 R6 I7M1-A3 PolarHBondContact O-N 2.81Å; A3-R5 PolarHBondContact O-N 2.82Å; A3-R6 PolarHBondContact O-N 3.37Å; A3-I7 WeakPolarHBondContact O-CG1 3.22Å; A3-I7 PolarHBondContact O-N 2.88Å
4F46.1Very low53.2Low167 Ų167128.9 Ų128.973%0.73264%0.636SS**Hα-helixtrans-66.7-37.3179.4-143.7-92.5000112.5M1 I7 S8M1-F4 PolarHBondContact O-N 3.43Å; F4-I7 PolarHBondContact O-N 3.23Å; F4-S8 WeakPolarHBondContact O-CB 3.39Å; F4-S8 PolarHBondContact O-N 3.17Å; F4-S8 PolarHBondContact O-OG 3.15Å
5R53.9Low52.6Low191 Ų191122.9 Ų122.972%0.72162%0.62SS**Hα-helixtrans-66.7-34.6172.5-89.4-175.7174.1174-0.8113.2M1 S2 A3 S8 K9M1-R5 PolarHBondContact O-N 3.15Å; S2-R5 PolarHBondContact O-N 3.03Å; A3-R5 PolarHBondContact O-N 2.82Å; R5-S8 WeakPolarHBondContact CA-OG 3.49Å; R5-S8 PolarHBondContact O-OG 3.07Å; R5-S8 VanDerWaalsContact O-OG 3.12Å; R5-K9 WeakPolarHBondContact O-CB 3.23Å; R5-K9 WeakPolarHBondContact O-CG 3.23Å; R5-K9 PolarHBondContact O-N 3.27Å
6R52.5Low52.3Low192 Ų192118.4 Ų118.473%0.72561%0.608SS**Hα-helixtrans-71.8-40.1174.8-77.3-175.9-177.8177.41.1112S2 A3 K10S2-R6 PolarHBondContact O-N 3.26Å; S2-R6 VanDerWaalsContact O-N 3.09Å; A3-R6 PolarHBondContact O-N 3.37Å; R6-K10 WeakPolarHBondContact O-CB 3.4Å; R6-K10 WeakPolarHBondContact O-CG 3.27Å; R6-K10 PolarHBondContact O-N 3.08Å
7I52.1Low52.4Low100 Ų100117.9 Ų117.951%0.51361%0.606SS.*Hα-helixtrans-67.1-45.8178-66.9165.8000110.8A3 F4 K10 L11A3-I7 WeakPolarHBondContact O-CG1 3.22Å; A3-I7 PolarHBondContact O-N 2.88Å; F4-I7 PolarHBondContact O-N 3.23Å; I7-K10 PolarHBondContact O-N 3.48Å; I7-L11 HydrophobicContact CG2-CD1 3.83Å; I7-L11 HydrophobicContact CG2-CG 4.39Å; I7-L11 WeakPolarHBondContact O-CG 3.44Å; I7-L11 PolarHBondContact O-N 2.89Å
8S51.5Low53Low49 Ų49115.1 Ų115.134%0.34360%0.598SS.*Hα-helixtrans-62.6-43.1176.950.10000113F4 R5 K10 L11 V12F4-S8 WeakPolarHBondContact O-CB 3.39Å; F4-S8 PolarHBondContact O-N 3.17Å; F4-S8 PolarHBondContact O-OG 3.15Å; R5-S8 WeakPolarHBondContact CA-OG 3.49Å; R5-S8 PolarHBondContact O-OG 3.07Å; R5-S8 VanDerWaalsContact O-OG 3.12Å; S8-K10 VanDerWaalsContact C-N 3.34Å; S8-K10 PolarHBondContact O-N 3.45Å; S8-L11 PolarHBondContact O-N 3.49Å; S8-V12 WeakPolarHBondContact O-CG2 3.28Å; S8-V12 PolarHBondContact O-N 3.1Å
9K61.4Low53.6Low163 Ų163110.8 Ų110.871%0.70959%0.585SS**Hα-helixtrans-61.2-41172.8-79.3-174.8176-171.20112.2R5 L13R5-K9 WeakPolarHBondContact O-CB 3.23Å; R5-K9 WeakPolarHBondContact O-CG 3.23Å; R5-K9 PolarHBondContact O-N 3.27Å; K9-L13 VanDerWaalsContact O-CB 3.22Å; K9-L13 WeakPolarHBondContact O-CB 3.44Å; K9-L13 PolarHBondContact O-N 3.45Å
10K53.4Low54.5Low146 Ų146109.7 Ų109.764%0.63558%0.582SS**Hα-helixtrans-64.1-42.4173.8-80.4-172.5176.5-171.90111.7R6 I7 S8 L13 I14R6-K10 WeakPolarHBondContact O-CB 3.4Å; R6-K10 WeakPolarHBondContact O-CG 3.27Å; R6-K10 PolarHBondContact O-N 3.08Å; I7-K10 PolarHBondContact O-N 3.48Å; S8-K10 VanDerWaalsContact C-N 3.34Å; S8-K10 PolarHBondContact O-N 3.45Å; K10-L13 PolarHBondContact O-N 3.42Å; K10-I14 HydrophobicContact CB-CD1 4.41Å; K10-I14 WeakPolarHBondContact O-CB 3.46Å; K10-I14 WeakPolarHBondContact O-CD1 3.31Å; K10-I14 WeakPolarHBondContact O-CG1 3.29Å; K10-I14 PolarHBondContact O-N 3.18Å
11L52Low55.5Low111 Ų111106.3 Ų106.358%0.58157%0.574SS**Hα-helixtrans-66.6-40.7178.2-76.9166.3000112.6I7 S8 G15I7-L11 HydrophobicContact CG2-CD1 3.83Å; I7-L11 HydrophobicContact CG2-CG 4.39Å; I7-L11 WeakPolarHBondContact O-CG 3.44Å; I7-L11 PolarHBondContact O-N 2.89Å; S8-L11 PolarHBondContact O-N 3.49Å; L11-G15 WeakPolarHBondContact O-CA 3.48Å; L11-G15 PolarHBondContact O-N 3.15Å
12V57.6Low56.7Low107 Ų10798.6 Ų98.665%0.64854%0.544SS*.Hα-helixtrans-67.5-40.9174.6173.20000110.8S8 G15 A16S8-V12 WeakPolarHBondContact O-CG2 3.28Å; S8-V12 PolarHBondContact O-N 3.1Å; V12-G15 PolarHBondContact O-N 3.34Å; V12-A16 WeakPolarHBondContact O-CB 3.44Å; V12-A16 PolarHBondContact O-N 3.43Å
13L49.1Very low57.2Low110 Ų11098.4 Ų98.458%0.57654%0.539SS*.Hα-helixtrans-68.1-42.2176.3-162.584000111.5K9 K10 A16 I17K9-L13 VanDerWaalsContact O-CB 3.22Å; K9-L13 WeakPolarHBondContact O-CB 3.44Å; K9-L13 PolarHBondContact O-N 3.45Å; K10-L13 PolarHBondContact O-N 3.42Å; L13-A16 PolarHBondContact O-N 2.66Å; L13-I17 HydrophobicContact CD2-CD1 4.03Å; L13-I17 HydrophobicContact CG-CD1 3.83Å; L13-I17 HydrophobicContact CG-CG1 4.44Å; L13-I17 VanDerWaalsContact O-CB 3.27Å; L13-I17 WeakPolarHBondContact O-CB 3.26Å; L13-I17 WeakPolarHBondContact O-CD1 3.48Å; L13-I17 WeakPolarHBondContact O-CG1 3.28Å; L13-I17 PolarHBondContact O-N 2.79Å
14I47.3Very low58.4Low103 Ų10399.7 Ų99.753%0.52854%0.536SS..Hα-helixtrans-63.6-43.7174-70.5163.6000109.5K10 I17 S18K10-I14 HydrophobicContact CB-CD1 4.41Å; K10-I14 WeakPolarHBondContact O-CB 3.46Å; K10-I14 WeakPolarHBondContact O-CD1 3.31Å; K10-I14 WeakPolarHBondContact O-CG1 3.29Å; K10-I14 PolarHBondContact O-N 3.18Å; I14-I17 PolarHBondContact O-N 3.26Å; I14-S18 WeakPolarHBondContact O-CB 3.24Å; I14-S18 PolarHBondContact O-N 3.05Å; I14-S18 PolarHBondContact O-OG 2.88Å
15G42.9Very low60.2Low39 Ų3996 Ų9640%0.40252%0.524SS..Hα-helixtrans-63-38.9175.200000113L11 V12 S18 G19L11-G15 WeakPolarHBondContact O-CA 3.48Å; L11-G15 PolarHBondContact O-N 3.15Å; V12-G15 PolarHBondContact O-N 3.34Å; G15-S18 VanDerWaalsContact CA-OG 3.28Å; G15-S18 WeakPolarHBondContact CA-OG 3.21Å; G15-S18 PolarHBondContact O-OG 2.78Å; G15-G19 WeakPolarHBondContact O-CA 3.39Å; G15-G19 PolarHBondContact O-N 2.88Å
16A48.9Very low61.6Low52 Ų5288.9 Ų88.943%0.4350%0.499SS..Hα-helixtrans-72.8-42.7175.600000111.8V12 L13 G19 V20V12-A16 WeakPolarHBondContact O-CB 3.44Å; V12-A16 PolarHBondContact O-N 3.43Å; L13-A16 PolarHBondContact O-N 2.66Å; A16-G19 PolarHBondContact O-N 3.01Å; A16-V20 VanDerWaalsContact O-CB 3.3Å; A16-V20 WeakPolarHBondContact O-CB 3.49Å; A16-V20 WeakPolarHBondContact O-CG2 3.27Å; A16-V20 PolarHBondContact O-N 3.44Å
17I54.4Low63.1Low109 Ų10981.6 Ų81.656%0.55947%0.473SS*.Hα-helixtrans-65.9-42.5175.9-69.9166.4000110.4L13 I14 G21L13-I17 HydrophobicContact CD2-CD1 4.03Å; L13-I17 HydrophobicContact CG-CD1 3.83Å; L13-I17 HydrophobicContact CG-CG1 4.44Å; L13-I17 VanDerWaalsContact O-CB 3.27Å; L13-I17 WeakPolarHBondContact O-CB 3.26Å; L13-I17 WeakPolarHBondContact O-CD1 3.48Å; L13-I17 WeakPolarHBondContact O-CG1 3.28Å; L13-I17 PolarHBondContact O-N 2.79Å; I14-I17 PolarHBondContact O-N 3.26Å; I17-G21 PolarHBondContact O-N 2.71Å
18S62.4Low64.8Low68 Ų6880.3 Ų80.348%0.47647%0.47SS..Hα-helixtrans-69.5-38.1175.752.30000111.9I14 G15 G21 A22I14-S18 WeakPolarHBondContact O-CB 3.24Å; I14-S18 PolarHBondContact O-N 3.05Å; I14-S18 PolarHBondContact O-OG 2.88Å; G15-S18 VanDerWaalsContact CA-OG 3.28Å; G15-S18 WeakPolarHBondContact CA-OG 3.21Å; G15-S18 PolarHBondContact O-OG 2.78Å; S18-G21 PolarHBondContact O-N 3.38Å; S18-A22 WeakPolarHBondContact O-CB 3.47Å; S18-A22 PolarHBondContact O-N 2.98Å
19G64.8Low66.6Low34 Ų3480.4 Ų80.435%0.35147%0.468SS..Hα-helixtrans-65.8-44.517400000113.2G15 A16 T23G15-G19 WeakPolarHBondContact O-CA 3.39Å; G15-G19 PolarHBondContact O-N 2.88Å; A16-G19 PolarHBondContact O-N 3.01Å; G19-T23 WeakPolarHBondContact O-CB 3.48Å; G19-T23 PolarHBondContact O-N 3.45Å; G19-T23 PolarHBondContact O-OG1 3.4Å
20V71.2Confident68Low87 Ų8772.6 Ų72.653%0.52744%0.435SS..Hα-helixtrans-65.5-45.3174171.10000110.3A16 A22 T23 I24A16-V20 VanDerWaalsContact O-CB 3.3Å; A16-V20 WeakPolarHBondContact O-CB 3.49Å; A16-V20 WeakPolarHBondContact O-CG2 3.27Å; A16-V20 PolarHBondContact O-N 3.44Å; V20-A22 PolarHBondContact O-N 3.4Å; V20-T23 PolarHBondContact O-N 2.86Å; V20-I24 HydrophobicContact CG1-CD1 3.7Å; V20-I24 HydrophobicContact CG1-CG1 4.3Å; V20-I24 WeakPolarHBondContact O-CB 3.4Å; V20-I24 VanDerWaalsContact O-CG1 3.29Å; V20-I24 WeakPolarHBondContact O-CG1 3.45Å; V20-I24 PolarHBondContact O-N 2.68Å
21G76.5Confident69.8Low39 Ų3972.7 Ų72.740%0.40243%0.431SS..Hα-helixtrans-59.5-44.9176.400000112.5I17 S18 L25I17-G21 PolarHBondContact O-N 2.71Å; S18-G21 PolarHBondContact O-N 3.38Å; G21-L25 VanDerWaalsContact O-CB 3.26Å; G21-L25 WeakPolarHBondContact O-CB 3.39Å; G21-L25 PolarHBondContact O-N 3.03Å
22A75.6Confident71.7Confident50 Ų5070.2 Ų70.241%0.41342%0.42SS..Hα-helixtrans-65.1-40.1175.400000112.1S18 V20 L25 M26S18-A22 WeakPolarHBondContact O-CB 3.47Å; S18-A22 PolarHBondContact O-N 2.98Å; V20-A22 PolarHBondContact O-N 3.4Å; A22-L25 PolarHBondContact O-N 3.41Å; A22-M26 WeakPolarHBondContact O-CB 3.23Å; A22-M26 WeakPolarHBondContact O-CG 3.24Å; A22-M26 PolarHBondContact O-N 3.39Å
23T75.5Confident73.3Confident88 Ų8866.3 Ų66.354%0.5440%0.396SS..Hα-helixtrans-66.9-44.8177.8-540000111.3G19 V20 L25 M26 E27G19-T23 WeakPolarHBondContact O-CB 3.48Å; G19-T23 PolarHBondContact O-N 3.45Å; G19-T23 PolarHBondContact O-OG1 3.4Å; V20-T23 PolarHBondContact O-N 2.86Å; T23-L25 VanDerWaalsContact C-N 3.33Å; T23-L25 PolarHBondContact O-N 2.89Å; T23-M26 PolarHBondContact O-N 3.19Å; T23-E27 WeakPolarHBondContact O-CB 3.47Å; T23-E27 PolarHBondContact O-N 2.81Å
24I78.1Confident75.3Confident89 Ų8963.4 Ų63.446%0.45638%0.379SS..Iπ-helixtrans-59.4-47.5174.4-69.9170000109.8V20 V28 V29V20-I24 HydrophobicContact CG1-CD1 3.7Å; V20-I24 HydrophobicContact CG1-CG1 4.3Å; V20-I24 WeakPolarHBondContact O-CB 3.4Å; V20-I24 VanDerWaalsContact O-CG1 3.29Å; V20-I24 WeakPolarHBondContact O-CG1 3.45Å; V20-I24 PolarHBondContact O-N 2.68Å; I24-V28 HydrophobicContact CG2-CB 4.18Å; I24-V28 HydrophobicContact CG2-CG2 4.35Å; I24-V28 WeakPolarHBondContact O-CA 3.44Å; I24-V28 WeakPolarHBondContact O-CB 3.48Å; I24-V28 PolarHBondContact O-N 3.43Å; I24-V29 PolarHBondContact O-N 3.5Å
25L83Confident77.5Confident89 Ų8961.4 Ų61.447%0.46638%0.378SS..Iπ-helixtrans-57.2-54.5178.1-17465.2000110.3G21 A22 T23 V29 P30 L187G21-L25 VanDerWaalsContact O-CB 3.26Å; G21-L25 WeakPolarHBondContact O-CB 3.39Å; G21-L25 PolarHBondContact O-N 3.03Å; A22-L25 PolarHBondContact O-N 3.41Å; T23-L25 VanDerWaalsContact C-N 3.33Å; T23-L25 PolarHBondContact O-N 2.89Å; L25-V29 HydrophobicContact CD1-CG2 4.16Å; L25-V29 WeakPolarHBondContact O-CB 3.23Å; L25-P30 WeakPolarHBondContact O-CD 3.32Å; L25-L187 HydrophobicContact CD1-CD2 4.19Å; L25-L187 HydrophobicContact CD2-CD1 4.33Å; L25-L187 HydrophobicContact CG-CD1 4.03Å; L25-L187 HydrophobicContact CG-CD2 4.18Å; L25-L187 VanDerWaalsContact O-CD2 3.31Å; L25-L187 WeakPolarHBondContact O-CD2 3.18Å
26M82.6Confident79.8Confident42 Ų4267.7 Ų67.721%0.20739%0.389CS..Iπ-helixtrans-74-29.9-172.1-64-71.9-97.500114.4A22 T23 P30 K183 L187A22-M26 WeakPolarHBondContact O-CB 3.23Å; A22-M26 WeakPolarHBondContact O-CG 3.24Å; A22-M26 PolarHBondContact O-N 3.39Å; T23-M26 PolarHBondContact O-N 3.19Å; M26-P30 WeakPolarHBondContact O-CG 3.37Å; M26-K183 HydrophobicContact CB-CB 4.46Å; M26-K183 HydrophobicContact CE-CB 3.16Å; M26-K183 HydrophobicContact CE-CG 4.13Å; M26-K183 WeakPolarHBondContact O-CD 3.37Å; M26-K183 HydrophobicContact SD-CB 3.73Å; M26-L187 HydrophobicContact SD-CD1 3.43Å; M26-L187 WeakPolarHBondContact SD-CD1 3.34Å; M26-L187 HydrophobicContact SD-CG 4.33Å
27E84.9Confident81.7Confident38 Ų3866.4 Ų66.418%0.17837%0.374CS..Iπ-helixtrans-104.3-43.5-177.9-77.1-63.5139.400113.9T23 R31 W179 K183T23-E27 WeakPolarHBondContact O-CB 3.47Å; T23-E27 PolarHBondContact O-N 2.81Å; E27-R31 WeakPolarHBondContact O-CG 3.26Å; E27-R31 IonicContact OE2-CZ 2.91Å; E27-R31 IonicContact OE2-NE 3.96Å; E27-R31 IonicContact OE2-NH2 2.62Å; E27-R31 PolarHBondContact OE2-NH2 2.72Å; E27-W179 WeakPolarHBondContact OE1-CH2 3.31Å; E27-W179 WeakPolarHBondContact OE1-CZ2 3.12Å; E27-K183 WeakPolarHBondContact OE1-CE 3.27Å; E27-K183 IonicContact OE1-NZ 2.71Å; E27-K183 PolarHBondContact OE1-NZ 2.76Å; E27-K183 IonicContact OE2-NZ 3.59Å
28V88.3Confident83.4Confident74 Ų7464.3 Ų64.345%0.44837%0.366SS..Iπ-helixtrans-81.6-43.1-171-178.20000110.7I24 R31 V32I24-V28 HydrophobicContact CG2-CB 4.18Å; I24-V28 HydrophobicContact CG2-CG2 4.35Å; I24-V28 WeakPolarHBondContact O-CA 3.44Å; I24-V28 WeakPolarHBondContact O-CB 3.48Å; I24-V28 PolarHBondContact O-N 3.43Å; V28-R31 PolarHBondContact O-N 3.36Å; V28-V32 HydrophobicContact CG1-CG2 3.99Å; V28-V32 VanDerWaalsContact O-CG2 3.31Å; V28-V32 WeakPolarHBondContact O-CG2 3.38Å; V28-V32 PolarHBondContact O-N 3.03Å
29V89.2Confident84.7Confident50 Ų5068.8 Ų68.830%0.30338%0.377SS..Hα-helixtrans-61.8-47.8-176.7177.20000112.4I24 L25 R31 V32 N33 L187I24-V29 PolarHBondContact O-N 3.5Å; L25-V29 HydrophobicContact CD1-CG2 4.16Å; L25-V29 WeakPolarHBondContact O-CB 3.23Å; V29-R31 VanDerWaalsContact C-N 3.33Å; V29-R31 PolarHBondContact O-N 2.89Å; V29-V32 PolarHBondContact O-N 3.49Å; V29-N33 PolarHBondContact O-N 3.05Å; V29-L187 HydrophobicContact CB-CD2 4.18Å; V29-L187 HydrophobicContact CG1-CD2 4.22Å
30P90.1Very high85.7Confident0 Ų069.9 Ų69.90%038%0.382CS..Hα-helixtrans-54.8-44.7174.5-32.440.6000113.7L25 M26 N33 E34 D186 L187 I193 A196L25-P30 WeakPolarHBondContact O-CD 3.32Å; M26-P30 WeakPolarHBondContact O-CG 3.37Å; P30-N33 PolarHBondContact O-N 3.48Å; P30-E34 WeakPolarHBondContact O-CB 3.48Å; P30-E34 PolarHBondContact O-N 3.03Å; P30-D186 HydrophobicContact CB-CB 3.96Å; P30-D186 HydrophobicContact CG-CB 3.78Å; P30-L187 HydrophobicContact CG-CD2 4.14Å; P30-I193 HydrophobicContact CB-CD1 3.65Å; P30-A196 HydrophobicContact CB-CB 4.05Å
31R90.7Very high86.3Confident147 Ų14768.7 Ų68.756%0.55537%0.373SS*.Hα-helixtrans-68.1-37.6179.8-68.1-178.2-169.1-178.910.3112.7E27 V28 V29 N33 E34 A35 A196E27-R31 WeakPolarHBondContact O-CG 3.26Å; E27-R31 IonicContact OE2-CZ 2.91Å; E27-R31 IonicContact OE2-NE 3.96Å; E27-R31 IonicContact OE2-NH2 2.62Å; E27-R31 PolarHBondContact OE2-NH2 2.72Å; V28-R31 PolarHBondContact O-N 3.36Å; V29-R31 VanDerWaalsContact C-N 3.33Å; V29-R31 PolarHBondContact O-N 2.89Å; R31-N33 VanDerWaalsContact C-N 3.34Å; R31-E34 PolarHBondContact O-N 2.77Å; R31-A35 WeakPolarHBondContact O-CB 3.33Å; R31-A35 PolarHBondContact O-N 2.72Å; R31-A196 HydrophobicContact CG-CB 3.94Å
32V92.3Very high86.7Confident60 Ų6074 Ų7436%0.36439%0.391SS..Hα-helixtrans-64.2-42.3174169.90000110.5V28 V29 A35 R36V28-V32 HydrophobicContact CG1-CG2 3.99Å; V28-V32 VanDerWaalsContact O-CG2 3.31Å; V28-V32 WeakPolarHBondContact O-CG2 3.38Å; V28-V32 PolarHBondContact O-N 3.03Å; V29-V32 PolarHBondContact O-N 3.49Å; V32-A35 PolarHBondContact O-N 2.93Å; V32-R36 WeakPolarHBondContact O-CB 3.5Å; V32-R36 VanDerWaalsContact O-CG 3.31Å; V32-R36 WeakPolarHBondContact O-CG 3.42Å; V32-R36 PolarHBondContact O-N 3.23Å
33N91.4Very high87.1Confident24 Ų2475.4 Ų75.413%0.12840%0.398CS..Hα-helixtrans-66-42.3176.9-72.2-17000112.1V29 P30 R31 A35 R36 R37 G190 I193V29-N33 PolarHBondContact O-N 3.05Å; P30-N33 PolarHBondContact O-N 3.48Å; R31-N33 VanDerWaalsContact C-N 3.34Å; N33-A35 PolarHBondContact O-N 2.71Å; N33-R36 PolarHBondContact O-N 2.97Å; N33-R37 WeakPolarHBondContact O-CB 3.46Å; N33-R37 PolarHBondContact O-N 2.73Å; N33-G190 VanDerWaalsContact CB-O 3.29Å; N33-G190 WeakPolarHBondContact CB-O 3.45Å; N33-G190 PolarHBondContact ND2-O 2.67Å; N33-I193 HydrophobicContact CB-CG2 3.7Å
34E92.4Very high87.2Confident50 Ų5075.4 Ų75.423%0.23439%0.388CS..Hα-helixtrans-57.3-47.3172.8176.4-177.7167.700111.5P30 R31 R36 R37 T38 I193 K195 A196P30-E34 WeakPolarHBondContact O-CB 3.48Å; P30-E34 PolarHBondContact O-N 3.03Å; R31-E34 PolarHBondContact O-N 2.77Å; E34-R36 PolarHBondContact O-N 2.72Å; E34-R37 PolarHBondContact O-N 2.81Å; E34-T38 WeakPolarHBondContact O-CB 3.41Å; E34-T38 PolarHBondContact O-N 3.46Å; E34-T38 PolarHBondContact O-OG1 3.41Å; E34-I193 HydrophobicContact CB-CG2 4.22Å; E34-K195 WeakPolarHBondContact OE2-CA 3.48Å; E34-A196 PolarHBondContact OE2-N 3.07Å
35A92.2Very high87.3Confident60 Ų6076.6 Ų76.650%0.49640%0.402SS..Hα-helixtrans-63.1-41.5178.100000112R31 V32 N33 T38 K39R31-A35 WeakPolarHBondContact O-CB 3.33Å; R31-A35 PolarHBondContact O-N 2.72Å; V32-A35 PolarHBondContact O-N 2.93Å; N33-A35 PolarHBondContact O-N 2.71Å; A35-T38 PolarHBondContact O-N 2.84Å; A35-K39 WeakPolarHBondContact O-CB 3.3Å; A35-K39 PolarHBondContact O-N 3.01Å
36R91.5Very high87.4Confident171 Ų17181.4 Ų81.465%0.64542%0.419SS*.Hα-helixtrans-62.7-45175.3-75.9174.8178.1-177.1-0.7111.9V32 N33 E34 K39 A40V32-R36 WeakPolarHBondContact O-CB 3.5Å; V32-R36 VanDerWaalsContact O-CG 3.31Å; V32-R36 WeakPolarHBondContact O-CG 3.42Å; V32-R36 PolarHBondContact O-N 3.23Å; N33-R36 PolarHBondContact O-N 2.97Å; E34-R36 PolarHBondContact O-N 2.72Å; R36-K39 PolarHBondContact O-N 3.37Å; R36-A40 WeakPolarHBondContact O-CB 3.34Å; R36-A40 PolarHBondContact O-N 3.29Å
37R89.9Confident87.6Confident26 Ų2680.6 Ų80.610%0.09842%0.417CS..Hα-helixtrans-61.5-48.2176.6-175-176.3-179.9-75.1-9.6111N33 E34 K39 A40 L41 S150 D154 I193N33-R37 WeakPolarHBondContact O-CB 3.46Å; N33-R37 PolarHBondContact O-N 2.73Å; E34-R37 PolarHBondContact O-N 2.81Å; R37-K39 VanDerWaalsContact C-N 3.31Å; R37-K39 PolarHBondContact O-N 3.13Å; R37-A40 WeakPolarHBondContact O-CB 3.42Å; R37-A40 PolarHBondContact O-N 3.22Å; R37-A40 VanDerWaalsContact O-N 3.12Å; R37-L41 WeakPolarHBondContact O-CG 3.1Å; R37-L41 PolarHBondContact O-N 2.89Å; R37-S150 PolarHBondContact NE-OG 3.04Å; R37-S150 VanDerWaalsContact NE-OG 3.16Å; R37-S150 PolarHBondContact NH2-OG 3.3Å; R37-S150 VanDerWaalsContact NH2-OG 3.1Å; R37-D154 IonicContact CZ-OD1 3.66Å; R37-D154 VanDerWaalsContact NH2-CG 3.35Å; R37-D154 IonicContact NH2-OD1 3.45Å; R37-D154 PolarHBondContact NH2-OD1 3.47Å; R37-D154 IonicContact NH2-OD2 2.82Å; R37-D154 PolarHBondContact NH2-OD2 3.06Å; R37-I193 WeakPolarHBondContact CD-O 3.45Å
38T88.6Confident87.9Confident65 Ų6581.6 Ų81.640%0.39943%0.428SS..Hα-helixtrans-58.1-45178.2-56.70000111.1E34 A35 A40 L41 L42E34-T38 WeakPolarHBondContact O-CB 3.41Å; E34-T38 PolarHBondContact O-N 3.46Å; E34-T38 PolarHBondContact O-OG1 3.41Å; A35-T38 PolarHBondContact O-N 2.84Å; T38-A40 PolarHBondContact O-N 3.23Å; T38-L41 PolarHBondContact O-N 3.33Å; T38-L42 HydrophobicContact CG2-CD1 4.18Å; T38-L42 WeakPolarHBondContact O-CG 3.29Å; T38-L42 PolarHBondContact O-N 3.06Å
39K89.6Confident88.1Confident161 Ų16184.5 Ų84.570%0.744%0.436SS*.Hα-helixtrans-60.3-46175-175.2178.3179.7179.80111.8A35 R36 R37 L41 L42 S43A35-K39 WeakPolarHBondContact O-CB 3.3Å; A35-K39 PolarHBondContact O-N 3.01Å; R36-K39 PolarHBondContact O-N 3.37Å; R37-K39 VanDerWaalsContact C-N 3.31Å; R37-K39 PolarHBondContact O-N 3.13Å; K39-L41 VanDerWaalsContact C-N 3.3Å; K39-L41 PolarHBondContact O-N 3.2Å; K39-L42 PolarHBondContact O-N 3.45Å; K39-S43 WeakPolarHBondContact O-CB 3.1Å; K39-S43 PolarHBondContact O-N 3.34Å; K39-S43 PolarHBondContact O-OG 3.42Å
40A86.6Confident88.3Confident57 Ų5789.8 Ų89.847%0.47146%0.458SS..Hα-helixtrans-59.8-40.7179.300000112.2R36 R37 T38 S43 R44R36-A40 WeakPolarHBondContact O-CB 3.34Å; R36-A40 PolarHBondContact O-N 3.29Å; R37-A40 WeakPolarHBondContact O-CB 3.42Å; R37-A40 PolarHBondContact O-N 3.22Å; R37-A40 VanDerWaalsContact O-N 3.12Å; T38-A40 PolarHBondContact O-N 3.23Å; A40-S43 WeakPolarHBondContact CA-OG 3.18Å; A40-S43 CarbonylContact O-C 3.53Å; A40-S43 PolarHBondContact O-N 3.42Å; A40-S43 PolarHBondContact O-OG 2.77Å; A40-R44 PolarHBondContact O-N 2.76Å
41L83.9Confident88.3Confident63 Ų6392 Ų9233%0.3347%0.468SS..Hα-helixtrans-66.3-44.6176.4-69.5179.4000112.8R37 T38 K39 S43 R44 D154R37-L41 WeakPolarHBondContact O-CG 3.1Å; R37-L41 PolarHBondContact O-N 2.89Å; T38-L41 PolarHBondContact O-N 3.33Å; K39-L41 VanDerWaalsContact C-N 3.3Å; K39-L41 PolarHBondContact O-N 3.2Å; L41-S43 PolarHBondContact O-N 3.49Å; L41-R44 WeakPolarHBondContact O-CB 3.48Å; L41-R44 PolarHBondContact O-N 3.11Å; L41-D154 HydrophobicContact CD2-CB 4.26Å; L41-D154 VanDerWaalsContact CD2-OD1 3.22Å; L41-D154 WeakPolarHBondContact CD2-OD1 3.49Å
42L83.8Confident88.4Confident149 Ų14988.1 Ų88.178%0.7846%0.456SS*.Hα-helixtrans-65.7-24.9176.4-68.2173.3000112.5T38 K39T38-L42 HydrophobicContact CG2-CD1 4.18Å; T38-L42 WeakPolarHBondContact O-CG 3.29Å; T38-L42 PolarHBondContact O-N 3.06Å; K39-L42 PolarHBondContact O-N 3.45Å
43S83.6Confident88.5Confident81 Ų8190.8 Ų90.857%0.56646%0.462SS*.THydrogen-bonded Turntrans-94.78.2176.964.40000114.5K39 A40 L41K39-S43 WeakPolarHBondContact O-CB 3.1Å; K39-S43 PolarHBondContact O-N 3.34Å; K39-S43 PolarHBondContact O-OG 3.42Å; A40-S43 WeakPolarHBondContact CA-OG 3.18Å; A40-S43 CarbonylContact O-C 3.53Å; A40-S43 PolarHBondContact O-N 3.42Å; A40-S43 PolarHBondContact O-OG 2.77Å; L41-S43 PolarHBondContact O-N 3.49Å
44R79.2Confident88.7Confident88 Ų8892.4 Ų92.433%0.33247%0.467SS..PPolyproline II helixtrans-61.8132.5-179.1-166.2176.2-175.5172.7-2.4109.3A40 L41 K46 D154 G485A40-R44 PolarHBondContact O-N 2.76Å; L41-R44 WeakPolarHBondContact O-CB 3.48Å; L41-R44 PolarHBondContact O-N 3.11Å; R44-K46 PolarHBondContact O-N 3.38Å; R44-D154 PolarHBondContact NH1-O 3.27Å; R44-G485 PolarHBondContact NH2-O 2.76Å
45P80.3Confident88.9Confident113 Ų11390.1 Ų90.173%0.73446%0.456SS*.PPolyproline II helixtrans-58.3142.7176.223.6-33000109.8
46K85Confident88.9Confident191 Ų19193.8 Ų93.883%0.8346%0.463SS*.PPolyproline II helixtrans-60.5148.8171.1-68.3-175.2177.2-176.40109.3R44R44-K46 PolarHBondContact O-N 3.38Å
47P87.1Confident89Confident25 Ų2591.5 Ų91.516%0.16245%0.454CS..PPolyproline II helixtrans-54.4146.8174.3-20.230000111E51 F52 L487 H492P47-E51 WeakPolarHBondContact CA-OE2 3.47Å; P47-E51 HydrophobicContact CB-CB 4.44Å; P47-E51 HydrophobicContact CB-CG 4.37Å; P47-E51 WeakPolarHBondContact CB-OE2 3.36Å; P47-F52 HydrophobicContact CB-CD2 3.92Å; P47-F52 HydrophobicContact CB-CE2 3.53Å; P47-F52 HydrophobicContact CB-CZ 3.89Å; P47-F52 HydrophobicContact CG-CE1 4.47Å; P47-F52 HydrophobicContact CG-CE2 3.85Å; P47-F52 HydrophobicContact CG-CZ 3.73Å; P47-F52 WeakPolarHBondContact O-CE2 3.5Å; P47-L487 HydrophobicContact CG-CD1 3.87Å; P47-H492 HydrophobicContact CG-CB 4.12Å
48S90.9Very high89.2Confident58 Ų5896 Ų9641%0.40649%0.487SS..PPolyproline II helixtrans-70.2157.7-18070.70000111.2Q50 E51 F52S48-Q50 PolarHBondContact O-N 3.45Å; S48-E51 PolarHBondContact N-OE2 3.1Å; S48-E51 WeakPolarHBondContact O-CB 3.34Å; S48-E51 PolarHBondContact O-N 3.13Å; S48-E51 VanDerWaalsContact OG-CB 3.3Å; S48-E51 WeakPolarHBondContact OG-CB 3.49Å; S48-E51 PolarHBondContact OG-N 2.95Å; S48-E51 VanDerWaalsContact OG-N 3.15Å; S48-F52 WeakPolarHBondContact O-CD2 3.43Å; S48-F52 PolarHBondContact O-N 3.4Å
49E91.7Very high89.6Confident135 Ų13594.4 Ų94.463%0.63148%0.475SS*.Hα-helixtrans-58.6-35.4175.7-166.2-169.2156.200112E51 K53E49-E51 VanDerWaalsContact C-N 3.32Å; E49-K53 WeakPolarHBondContact O-CB 3.42Å; E49-K53 VanDerWaalsContact O-CG 3.3Å; E49-K53 WeakPolarHBondContact O-CG 3.43Å; E49-K53 PolarHBondContact O-N 3.33Å; E49-K53 WeakPolarHBondContact OE1-CE 3.43Å; E49-K53 IonicContact OE1-NZ 2.76Å; E49-K53 PolarHBondContact OE1-NZ 3.15Å
50Q92.7Very high90Very high162 Ų16289 Ų8976%0.75746%0.457SS*.Hα-helixtrans-66.5-35.6175.6-66.6-179.5-2.900112.4S48 R54S48-Q50 PolarHBondContact O-N 3.45Å; Q50-R54 PolarHBondContact O-N 3.5Å; Q50-R54 VanDerWaalsContact O-N 3.1Å
51E91.8Very high90.5Very high47 Ų4789.9 Ų89.922%0.2246%0.457CS..Hα-helixtrans-70.7-48176.7-169.2174.5-154.700110.4P47 S48 E49 K53 R54 F55 H492P47-E51 WeakPolarHBondContact CA-OE2 3.47Å; P47-E51 HydrophobicContact CB-CB 4.44Å; P47-E51 HydrophobicContact CB-CG 4.37Å; P47-E51 WeakPolarHBondContact CB-OE2 3.36Å; S48-E51 PolarHBondContact N-OE2 3.1Å; S48-E51 WeakPolarHBondContact O-CB 3.34Å; S48-E51 PolarHBondContact O-N 3.13Å; S48-E51 VanDerWaalsContact OG-CB 3.3Å; S48-E51 WeakPolarHBondContact OG-CB 3.49Å; S48-E51 PolarHBondContact OG-N 2.95Å; S48-E51 VanDerWaalsContact OG-N 3.15Å; E49-E51 VanDerWaalsContact C-N 3.32Å; E51-K53 VanDerWaalsContact C-N 3.34Å; E51-K53 PolarHBondContact O-N 3.06Å; E51-R54 WeakPolarHBondContact O-CA 3.21Å; E51-R54 WeakPolarHBondContact O-CB 3.48Å; E51-R54 PolarHBondContact O-N 2.86Å; E51-F55 HydrophobicContact CG-CD2 4.23Å; E51-F55 HydrophobicContact CG-CE2 4.2Å; E51-F55 WeakPolarHBondContact O-CD2 3.4Å; E51-F55 PolarHBondContact O-N 2.73Å; E51-F55 VanDerWaalsContact O-N 3.1Å; E51-H492 WeakPolarHBondContact CG-NE2 3.49Å; E51-H492 IonicContact OE1-NE2 3.85Å
52F92Very high91.2Very high65 Ų6588 Ų8829%0.28545%0.445SS..Hα-helixtrans-53.4-49.6171.8-83.4-68.6000111.9P47 S48 R54 F55 E56 H492P47-F52 HydrophobicContact CB-CD2 3.92Å; P47-F52 HydrophobicContact CB-CE2 3.53Å; P47-F52 HydrophobicContact CB-CZ 3.89Å; P47-F52 HydrophobicContact CG-CE1 4.47Å; P47-F52 HydrophobicContact CG-CE2 3.85Å; P47-F52 HydrophobicContact CG-CZ 3.73Å; P47-F52 WeakPolarHBondContact O-CE2 3.5Å; S48-F52 WeakPolarHBondContact O-CD2 3.43Å; S48-F52 PolarHBondContact O-N 3.4Å; F52-R54 PolarHBondContact O-N 2.79Å; F52-R54 VanDerWaalsContact O-N 3.16Å; F52-F55 PolarHBondContact O-N 2.89Å; F52-F55 VanDerWaalsContact O-N 3.08Å; F52-E56 WeakPolarHBondContact O-CB 3.2Å; F52-E56 WeakPolarHBondContact O-CG 3.33Å; F52-E56 PolarHBondContact O-N 3.27Å; F52-H492 HydrophobicContact CD1-CB 4.33Å; F52-H492 HydrophobicContact CE1-CB 3.89Å
53K94.5Very high91.9Very high116 Ų11685.6 Ų85.650%0.50443%0.433SS..Hα-helixtrans-58.7-28.9175.5-75.1176.2-176169.80113.6E49 E51 R57E49-K53 WeakPolarHBondContact O-CB 3.42Å; E49-K53 VanDerWaalsContact O-CG 3.3Å; E49-K53 WeakPolarHBondContact O-CG 3.43Å; E49-K53 PolarHBondContact O-N 3.33Å; E49-K53 WeakPolarHBondContact OE1-CE 3.43Å; E49-K53 IonicContact OE1-NZ 2.76Å; E49-K53 PolarHBondContact OE1-NZ 3.15Å; E51-K53 VanDerWaalsContact C-N 3.34Å; E51-K53 PolarHBondContact O-N 3.06Å; K53-R57 WeakPolarHBondContact O-CG 3.22Å; K53-R57 PolarHBondContact O-NE 3.19Å
54R96.1Very high92.6Very high58 Ų5886.6 Ų86.622%0.21943%0.429CS..Hα-helixtrans-71.8-43.1175.2-179.6179.1-69.2-95.35111.6Q50 E51 F52 R243 D245Q50-R54 PolarHBondContact O-N 3.5Å; Q50-R54 VanDerWaalsContact O-N 3.1Å; E51-R54 WeakPolarHBondContact O-CA 3.21Å; E51-R54 WeakPolarHBondContact O-CB 3.48Å; E51-R54 PolarHBondContact O-N 2.86Å; F52-R54 PolarHBondContact O-N 2.79Å; F52-R54 VanDerWaalsContact O-N 3.16Å; R54-R243 VanDerWaalsContact CD-O 3.24Å; R54-R243 WeakPolarHBondContact CD-O 3.23Å; R54-R243 HydrophobicContact CG-CB 4.18Å; R54-R243 VanDerWaalsContact CG-O 3.29Å; R54-R243 WeakPolarHBondContact CG-O 3.42Å; R54-R243 PolarHBondContact NH1-O 3.16Å; R54-D245 IonicContact NH1-OD2 3.51Å; R54-D245 PolarHBondContact NH1-OD2 3.18Å
55F95.6Very high93.5Very high2 Ų282.8 Ų82.81%0.00942%0.415CS..Hα-helixtrans-87.5-10.5-175.3-75.7-96.7000114.4E51 F52 T240 R243 Y244 E489 H492 K523E51-F55 HydrophobicContact CG-CD2 4.23Å; E51-F55 HydrophobicContact CG-CE2 4.2Å; E51-F55 WeakPolarHBondContact O-CD2 3.4Å; E51-F55 PolarHBondContact O-N 2.73Å; E51-F55 VanDerWaalsContact O-N 3.1Å; F52-F55 PolarHBondContact O-N 2.89Å; F52-F55 VanDerWaalsContact O-N 3.08Å; F55-T240 HydrophobicContact CE1-CG2 3.84Å; F55-T240 HydrophobicContact CZ-CG2 3.67Å; F55-R243 HydrophobicContact CD1-CG 3.81Å; F55-R243 HydrophobicContact CE1-CB 4.2Å; F55-R243 HydrophobicContact CE1-CG 3.77Å; F55-R243 HydrophobicContact CG-CG 4.41Å; F55-R243 HydrophobicContact CZ-CB 4.29Å; F55-R243 HydrophobicContact CZ-CG 4.35Å; F55-R243 PolarHBondContact O-NH2 3.38Å; F55-Y244 HydrophobicContact CZ-CE2 4.36Å; F55-E489 VanDerWaalsContact CD1-OE2 3.28Å; F55-E489 WeakPolarHBondContact CD1-OE2 3.38Å; F55-H492 AromaticContact CD1-CE1 3.46Å; F55-H492 VanDerWaalsContact CD1-CE1 3.46Å; F55-H492 WeakPolarHBondContact CD1-CE1 3.29Å; F55-H492 AromaticContact CD1-ND1 3.84Å; F55-H492 AromaticContact CD2-CD2 3.99Å; F55-H492 AromaticContact CD2-CE1 3.46Å; F55-H492 VanDerWaalsContact CD2-CE1 3.46Å; F55-H492 WeakPolarHBondContact CD2-CE1 3.35Å; F55-H492 AromaticContact CD2-NE2 3.29Å; F55-H492 VanDerWaalsContact CD2-NE2 3.29Å; F55-H492 WeakPolarHBondContact CD2-NE2 3.41Å; F55-H492 AromaticContact CE1-CE1 3.38Å; F55-H492 WeakPolarHBondContact CE1-CE1 3.29Å; F55-H492 AromaticContact CE2-CE1 3.39Å; F55-H492 WeakPolarHBondContact CE2-CE1 3.46Å; F55-H492 AromaticContact CE2-NE2 3.26Å; F55-H492 VanDerWaalsContact CE2-NE2 3.26Å; F55-H492 WeakPolarHBondContact CE2-NE2 3.47Å; F55-H492 AromaticContact CG-CE1 3.5Å; F55-H492 AromaticContact CG-ND1 3.88Å; F55-H492 AromaticContact CG-NE2 3.76Å; F55-H492 AromaticContact CZ-CE1 3.34Å; F55-H492 WeakPolarHBondContact CZ-CE1 3.31Å; F55-H492 AromaticContact CZ-NE2 3.69Å; F55-K523 WeakPolarHBondContact O-CE 3.38Å; F55-K523 PolarHBondContact O-NZ 2.95Å
56E92.5Very high94.4Very high137 Ų13778.2 Ų78.264%0.6438%0.384SS*.Hα-helixtrans-88.7-19.1172.2-75.1177175.400113.9F52F52-E56 WeakPolarHBondContact O-CB 3.2Å; F52-E56 WeakPolarHBondContact O-CG 3.33Å; F52-E56 PolarHBondContact O-N 3.27Å
57R93.6Very high95Very high122 Ų12276.4 Ų76.446%0.4638%0.376SS..SBendtrans-56.4149.9176.3-82.8-179.1-86.4163.2-3.7110.4K53 R243K53-R57 WeakPolarHBondContact O-CG 3.22Å; K53-R57 PolarHBondContact O-NE 3.19Å; R57-R243 PolarHBondContact O-NH1 2.88Å; R57-R243 PolarHBondContact O-NH2 3.01Å
58P94.4Very high95.6Very high121 Ų12178.8 Ų78.879%0.78638%0.382SS*.PPolyproline II helixtrans-60.4144.2166.8-23.935000110.9
59L96.8Very high95.9Very high31 Ų3176.1 Ų76.116%0.16236%0.363CS..PPolyproline II helixtrans-68140.4168.7-72.7168.1000108.9L239 A242 E562L59-L239 HydrophobicContact CD1-CD1 4.43Å; L59-L239 HydrophobicContact CD1-CD2 3.86Å; L59-A242 HydrophobicContact CD2-CB 4.31Å; L59-E562 HydrophobicContact CD1-CG 4.41Å
60P97.9Very high96.2Very high49 Ų4971.7 Ų71.732%0.31835%0.35SS..PPolyproline II helixtrans-59.6144.3167.8-16.428.9000109.7E64 H65 Y563P60-E64 WeakPolarHBondContact CA-OE2 3.3Å; P60-E64 HydrophobicContact CB-CB 4.26Å; P60-H65 PolarHBondContact O-NE2 3.35Å; P60-Y563 VanDerWaalsContact O-CE1 3.23Å; P60-Y563 WeakPolarHBondContact O-CE1 3.21Å; P60-Y563 PolarHBondContact O-OH 3.32Å
61T98Very high96.5Very high75 Ų7567.6 Ų67.646%0.4634%0.339SS..PPolyproline II helixtrans-66.8157.4175.161.20000111.2D63 E64 H65T61-D63 PolarHBondContact O-N 3.45Å; T61-E64 WeakPolarHBondContact CB-OE2 3.45Å; T61-E64 PolarHBondContact N-OE2 3.17Å; T61-E64 PolarHBondContact O-N 2.88Å; T61-E64 VanDerWaalsContact O-N 3.08Å; T61-E64 VanDerWaalsContact OG1-CD 3.3Å; T61-E64 VanDerWaalsContact OG1-CG 3.23Å; T61-E64 WeakPolarHBondContact OG1-CG 3.48Å; T61-E64 PolarHBondContact OG1-N 2.83Å; T61-E64 PolarHBondContact OG1-OE2 2.79Å; T61-H65 PolarHBondContact O-CD2 2.92Å; T61-H65 PolarHBondContact O-N 3.28Å; T61-H65 VanDerWaalsContact O-N 3.13Å
62R97.9Very high96.7Very high24 Ų2467.4 Ų67.49%0.09135%0.35CS..Hα-helixtrans-53.1-40.8173.9-175.1178.6176.9-87.8-0.8111.7E64 H65 L66 N250 Y251 D290 Y563R62-E64 PolarHBondContact O-N 2.98Å; R62-H65 WeakPolarHBondContact O-CB 3.45Å; R62-H65 PolarHBondContact O-N 2.88Å; R62-L66 HydrophobicContact CG-CD1 4.42Å; R62-L66 VanDerWaalsContact NH1-CD1 3.35Å; R62-L66 WeakPolarHBondContact O-CG 3.48Å; R62-L66 PolarHBondContact O-N 3Å; R62-N250 PolarHBondContact NE-O 3.22Å; R62-N250 PolarHBondContact NE-OD1 3.25Å; R62-N250 PolarHBondContact NH2-O 3.22Å; R62-Y251 PolarHBondContact NH2-O 3.3Å; R62-D290 IonicContact CZ-OD1 3.52Å; R62-D290 IonicContact NH1-OD1 3.6Å; R62-D290 PolarHBondContact NH1-OD1 3.43Å; R62-D290 IonicContact NH1-OD2 3.58Å; R62-D290 IonicContact NH2-OD1 3.32Å; R62-D290 PolarHBondContact NH2-OD1 3.14Å; R62-Y563 HydrophobicContact CB-CD1 4.08Å
63D97.9Very high96.9Very high98 Ų9867.4 Ų67.452%0.52435%0.351SS..Hα-helixtrans-67.1-34.6179.6-70.6-16.3000113T61 L66 K67T61-D63 PolarHBondContact O-N 3.45Å; D63-L66 PolarHBondContact O-N 3.43Å; D63-K67 WeakPolarHBondContact O-CB 3.45Å; D63-K67 VanDerWaalsContact O-CG 3.23Å; D63-K67 WeakPolarHBondContact O-CG 3.27Å; D63-K67 PolarHBondContact O-N 2.94Å
64E98.5Very high97.1Very high102 Ų10266.1 Ų66.148%0.47735%0.349SS..Hα-helixtrans-66.4-41.5173.7-74.7165.4138.600111.3P60 T61 R62 K67 R68P60-E64 WeakPolarHBondContact CA-OE2 3.3Å; P60-E64 HydrophobicContact CB-CB 4.26Å; T61-E64 WeakPolarHBondContact CB-OE2 3.45Å; T61-E64 PolarHBondContact N-OE2 3.17Å; T61-E64 PolarHBondContact O-N 2.88Å; T61-E64 VanDerWaalsContact O-N 3.08Å; T61-E64 VanDerWaalsContact OG1-CD 3.3Å; T61-E64 VanDerWaalsContact OG1-CG 3.23Å; T61-E64 WeakPolarHBondContact OG1-CG 3.48Å; T61-E64 PolarHBondContact OG1-N 2.83Å; T61-E64 PolarHBondContact OG1-OE2 2.79Å; R62-E64 PolarHBondContact O-N 2.98Å; E64-K67 PolarHBondContact O-N 2.91Å; E64-R68 PolarHBondContact O-N 3.17Å
65H98.7Very high97.2Very high8 Ų863.3 Ų63.34%0.03734%0.338CS..Hα-helixtrans-59.4-48.8172.2-68.4-61.6000111.3P60 T61 R62 K67 R68 M69 A247 I248 Y563P60-H65 PolarHBondContact O-NE2 3.35Å; T61-H65 PolarHBondContact O-CD2 2.92Å; T61-H65 PolarHBondContact O-N 3.28Å; T61-H65 VanDerWaalsContact O-N 3.13Å; R62-H65 WeakPolarHBondContact O-CB 3.45Å; R62-H65 PolarHBondContact O-N 2.88Å; H65-K67 PolarHBondContact O-N 2.86Å; H65-R68 PolarHBondContact O-N 2.89Å; H65-M69 VanDerWaalsContact O-CG 3.27Å; H65-M69 WeakPolarHBondContact O-CG 3.31Å; H65-M69 PolarHBondContact O-N 3.15Å; H65-A247 WeakPolarHBondContact ND1-CA 3.33Å; H65-I248 VanDerWaalsContact CB-O 3.24Å; H65-I248 WeakPolarHBondContact CB-O 3.44Å; H65-I248 PolarHBondContact CD2-O 2.82Å; H65-I248 PolarHBondContact ND1-N 3.39Å; H65-Y563 AromaticContact CD2-CE1 3.86Å; H65-Y563 AromaticContact CD2-CZ 3.94Å; H65-Y563 AromaticContact NE2-CE1 3.96Å; H65-Y563 AromaticContact NE2-CZ 3.62Å; H65-Y563 PolarHBondContact NE2-OH 2.79Å
66L98.6Very high97.4Very high17 Ų1764.8 Ų64.89%0.08935%0.346CS..Hα-helixtrans-61.9-41.4178.8-71.2178.8000112.9R62 D63 R68 M69 A70 A249 V252 F297R62-L66 HydrophobicContact CG-CD1 4.42Å; R62-L66 VanDerWaalsContact NH1-CD1 3.35Å; R62-L66 WeakPolarHBondContact O-CG 3.48Å; R62-L66 PolarHBondContact O-N 3Å; D63-L66 PolarHBondContact O-N 3.43Å; L66-R68 VanDerWaalsContact C-N 3.3Å; L66-R68 PolarHBondContact O-N 3.36Å; L66-M69 HydrophobicContact CD2-SD 4.39Å; L66-M69 PolarHBondContact O-N 2.97Å; L66-A70 VanDerWaalsContact O-CB 3.28Å; L66-A70 WeakPolarHBondContact O-CB 3.49Å; L66-A70 PolarHBondContact O-N 3.33Å; L66-A249 HydrophobicContact CD2-CB 3.98Å; L66-V252 HydrophobicContact CD2-CG2 3.6Å; L66-F297 HydrophobicContact CD2-CE1 4.3Å; L66-F297 HydrophobicContact CD2-CZ 3.83Å
67K98.4Very high97.7Very high152 Ų15258.2 Ų58.266%0.66132%0.316SS*.Hα-helixtrans-60.2-42.4175.5-77.9170.3-174.1172.30111.3D63 E64 H65 A70 S71D63-K67 WeakPolarHBondContact O-CB 3.45Å; D63-K67 VanDerWaalsContact O-CG 3.23Å; D63-K67 WeakPolarHBondContact O-CG 3.27Å; D63-K67 PolarHBondContact O-N 2.94Å; E64-K67 PolarHBondContact O-N 2.91Å; H65-K67 PolarHBondContact O-N 2.86Å; K67-A70 PolarHBondContact O-N 3.45Å; K67-S71 WeakPolarHBondContact O-CB 3.49Å; K67-S71 PolarHBondContact O-N 2.89Å; K67-S71 VanDerWaalsContact O-N 3.1Å
68R98.4Very high97.9Very high76 Ų7652.4 Ų52.429%0.28729%0.294SS..Hα-helixtrans-66-46.8176.4-168.3-172.7164.4-166.6-1.1111.3E64 H65 L66 A70 S71 E73 F75 D245E64-R68 PolarHBondContact O-N 3.17Å; H65-R68 PolarHBondContact O-N 2.89Å; L66-R68 VanDerWaalsContact C-N 3.3Å; L66-R68 PolarHBondContact O-N 3.36Å; R68-A70 VanDerWaalsContact C-N 3.28Å; R68-A70 PolarHBondContact O-N 3.41Å; R68-S71 VanDerWaalsContact O-CB 3.27Å; R68-S71 WeakPolarHBondContact O-CB 3.38Å; R68-S71 PolarHBondContact O-N 3.49Å; R68-S71 VanDerWaalsContact O-N 3.15Å; R68-S71 PolarHBondContact O-OG 3.09Å; R68-E73 VanDerWaalsContact CG-OE2 3.31Å; R68-E73 WeakPolarHBondContact CG-OE2 3.23Å; R68-E73 IonicContact CZ-OE1 2.68Å; R68-E73 IonicContact CZ-OE2 2.76Å; R68-E73 IonicContact NE-OE1 3.2Å; R68-E73 IonicContact NE-OE2 3.63Å; R68-E73 PolarHBondContact NE-OE2 2.93Å; R68-E73 IonicContact NH2-OE1 3.8Å; R68-E73 PolarHBondContact NH2-OE1 2.98Å; R68-E73 IonicContact NH2-OE2 3.11Å; R68-F75 HydrophobicContact CG-CZ 4.1Å; R68-D245 PolarHBondContact NH1-O 3.29Å
69M98.6Very high98.1Very high1 Ų146.7 Ų46.71%0.00526%0.256CS..Hα-helixtrans-58.1-39.5176.7-70.4177.5-179.200112.5H65 L66 I103 A247 A249 F297 I299H65-M69 VanDerWaalsContact O-CG 3.27Å; H65-M69 WeakPolarHBondContact O-CG 3.31Å; H65-M69 PolarHBondContact O-N 3.15Å; L66-M69 HydrophobicContact CD2-SD 4.39Å; L66-M69 PolarHBondContact O-N 2.97Å; M69-I103 HydrophobicContact CE-CG2 4.17Å; M69-I103 HydrophobicContact SD-CG2 4.06Å; M69-A247 HydrophobicContact CE-CB 3.89Å; M69-A247 WeakPolarHBondContact CE-O 3.47Å; M69-A247 HydrophobicContact CG-CB 4.08Å; M69-A249 HydrophobicContact CE-CB 3.76Å; M69-A249 HydrophobicContact SD-CB 3.95Å; M69-F297 HydrophobicContact CB-CE2 3.9Å; M69-I299 HydrophobicContact CB-CD1 3.93Å; M69-I299 HydrophobicContact CB-CG1 4.06Å; M69-I299 HydrophobicContact CG-CD1 4.07Å; M69-I299 HydrophobicContact SD-CD1 3.98Å
70A97.9Very high98.2Very high43 Ų4345.6 Ų45.636%0.35525%0.25SS..THydrogen-bonded Turntrans-883.1-179.600000114.3L66 K67 R68 G72 F297L66-A70 VanDerWaalsContact O-CB 3.28Å; L66-A70 WeakPolarHBondContact O-CB 3.49Å; L66-A70 PolarHBondContact O-N 3.33Å; K67-A70 PolarHBondContact O-N 3.45Å; R68-A70 VanDerWaalsContact C-N 3.28Å; R68-A70 PolarHBondContact O-N 3.41Å; A70-G72 VanDerWaalsContact C-N 3.25Å; A70-G72 PolarHBondContact O-N 3.29Å; A70-F297 HydrophobicContact CB-CB 4.19Å; A70-F297 HydrophobicContact CB-CD2 3.59Å; A70-F297 HydrophobicContact CB-CE2 4.06Å; A70-F297 HydrophobicContact CB-CG 3.87Å
71S97.8Very high98.3Very high75 Ų7543.4 Ų43.452%0.52424%0.237SC..SBendtrans-73.3-14.9-174.168.20000114.3K67 R68 E73K67-S71 WeakPolarHBondContact O-CB 3.49Å; K67-S71 PolarHBondContact O-N 2.89Å; K67-S71 VanDerWaalsContact O-N 3.1Å; R68-S71 VanDerWaalsContact O-CB 3.27Å; R68-S71 WeakPolarHBondContact O-CB 3.38Å; R68-S71 PolarHBondContact O-N 3.49Å; R68-S71 VanDerWaalsContact O-N 3.15Å; R68-S71 PolarHBondContact O-OG 3.09Å; S71-E73 VanDerWaalsContact C-N 3.33Å; S71-E73 VanDerWaalsContact OG-CB 3.31Å; S71-E73 WeakPolarHBondContact OG-CB 3.25Å; S71-E73 PolarHBondContact OG-N 2.89Å
72G95.9Very high98.3Very high44 Ų4439.8 Ų39.845%0.45422%0.215SC..  trans87-2-169.600000114.2A70 L74 N300A70-G72 VanDerWaalsContact C-N 3.25Å; A70-G72 PolarHBondContact O-N 3.29Å; G72-L74 PolarHBondContact O-N 3.46Å; G72-N300 PolarHBondContact O-ND2 3.44Å
73E97.3Very high98.3Very high64 Ų6439.4 Ų39.430%0.29922%0.218SC..  trans-47.2132.9168.6-178.4-177.9166.100110.4R68 S71 F75R68-E73 VanDerWaalsContact CG-OE2 3.31Å; R68-E73 WeakPolarHBondContact CG-OE2 3.23Å; R68-E73 IonicContact CZ-OE1 2.68Å; R68-E73 IonicContact CZ-OE2 2.76Å; R68-E73 IonicContact NE-OE1 3.2Å; R68-E73 IonicContact NE-OE2 3.63Å; R68-E73 PolarHBondContact NE-OE2 2.93Å; R68-E73 IonicContact NH2-OE1 3.8Å; R68-E73 PolarHBondContact NH2-OE1 2.98Å; R68-E73 IonicContact NH2-OE2 3.11Å; S71-E73 VanDerWaalsContact C-N 3.33Å; S71-E73 VanDerWaalsContact OG-CB 3.31Å; S71-E73 WeakPolarHBondContact OG-CB 3.25Å; S71-E73 PolarHBondContact OG-N 2.89Å; E73-F75 HydrophobicContact CB-CE2 3.99Å; E73-F75 HydrophobicContact CB-CZ 4.24Å; E73-F75 HydrophobicContact CG-CD2 4.47Å; E73-F75 HydrophobicContact CG-CE1 4.43Å; E73-F75 HydrophobicContact CG-CE2 4.19Å; E73-F75 HydrophobicContact CG-CZ 4.17Å; E73-F75 WeakPolarHBondContact O-CD2 3.33Å; E73-F75 PolarHBondContact O-N 3.39Å
74L98.1Very high98.3Very high89 Ų8934.9 Ų34.947%0.46619%0.194SC..EExtended strand (participates in β ladder)trans-87.9104.5171.7175.964.3000108.7G72 N300 R302G72-L74 PolarHBondContact O-N 3.46Å; L74-N300 HydrophobicContact CD1-CB 4Å; L74-R302 HydrophobicContact CD1-CG 4.24Å; L74-R302 HydrophobicContact CD2-CG 4.19Å; L74-R302 HydrophobicContact CG-CG 4.18Å
75F98.6Very high98.3Very high0 Ų031.4 Ų31.40%018%0.18CC..EExtended strand (participates in β ladder)trans-75.3154.9176-66.7-89.3000111.6R68 E73 S99 C101 A247 I299 N300 A301 R302R68-F75 HydrophobicContact CG-CZ 4.1Å; E73-F75 HydrophobicContact CB-CE2 3.99Å; E73-F75 HydrophobicContact CB-CZ 4.24Å; E73-F75 HydrophobicContact CG-CD2 4.47Å; E73-F75 HydrophobicContact CG-CE1 4.43Å; E73-F75 HydrophobicContact CG-CE2 4.19Å; E73-F75 HydrophobicContact CG-CZ 4.17Å; E73-F75 WeakPolarHBondContact O-CD2 3.33Å; E73-F75 PolarHBondContact O-N 3.39Å; F75-S99 WeakPolarHBondContact CA-OG 3.47Å; F75-C101 WeakPolarHBondContact CD1-SG 3.14Å; F75-C101 VanDerWaalsContact CD2-SG 3.57Å; F75-C101 WeakPolarHBondContact CE1-SG 3.19Å; F75-C101 WeakPolarHBondContact CE2-SG 3.39Å; F75-C101 VanDerWaalsContact CG-SG 3.6Å; F75-C101 WeakPolarHBondContact CZ-SG 3.16Å; F75-A247 HydrophobicContact CE1-CB 4.39Å; F75-I299 HydrophobicContact CD2-CG2 3.95Å; F75-I299 HydrophobicContact CE2-CG2 4.27Å; F75-N300 WeakPolarHBondContact CD2-O 3.35Å; F75-N300 PolarHBondContact N-O 3.26Å; F75-A301 HydrophobicContact CB-CB 4.31Å; F75-A301 CarbonylContact O-C 3.6Å; F75-A301 VanDerWaalsContact O-CA 3.23Å; F75-A301 WeakPolarHBondContact O-CA 3.39Å; F75-R302 PolarHBondContact O-N 3.01Å
76D98.7Very high98.3Very high32 Ų3231 Ų3117%0.17118%0.178CC..EExtended strand (participates in β ladder)trans-73.7-42.6170.8-64.3-57.3000110.6L98 S99 R302 C303 L475D76-L98 HydrophobicContact CB-CB 4.01Å; D76-L98 HydrophobicContact CB-CD2 4.05Å; D76-S99 WeakPolarHBondContact CB-O 3.36Å; D76-S99 VanDerWaalsContact CG-OG 3.24Å; D76-S99 PolarHBondContact N-O 3.23Å; D76-S99 PolarHBondContact N-OG 2.78Å; D76-S99 PolarHBondContact OD2-N 3.18Å; D76-S99 PolarHBondContact OD2-OG 3.19Å; D76-R302 IonicContact OD1-NE 3.08Å; D76-C303 WeakPolarHBondContact O-CB 3.26Å; D76-C303 PolarHBondContact O-N 3.43Å; D76-L475 HydrophobicContact CB-CD2 4.3Å
77V98.8Very high98.3Very high0 Ų030.2 Ų30.20%017%0.174CC..EExtended strand (participates in β ladder)trans-135.1128.7-174.9-175.50000111V79 A93 L98 S99 T100 C101 C303 I305 L475V77-V79 HydrophobicContact CG1-CG2 3.81Å; V77-A93 HydrophobicContact CB-CB 4.44Å; V77-A93 HydrophobicContact CG2-CB 4.2Å; V77-L98 HydrophobicContact CG2-CD1 4.15Å; V77-S99 PolarHBondContact N-O 3.4Å; V77-S99 VanDerWaalsContact N-O 3.09Å; V77-T100 HydrophobicContact CB-CG2 4.45Å; V77-T100 CarbonylContact O-C 3.48Å; V77-T100 WeakPolarHBondContact O-CA 3.45Å; V77-C101 PolarHBondContact O-N 2.98Å; V77-C303 CarbonylContact C-O 3.46Å; V77-C303 WeakPolarHBondContact CA-O 3.39Å; V77-I305 HydrophobicContact CG1-CD1 3.58Å; V77-I305 HydrophobicContact CG1-CG1 4.21Å; V77-L475 HydrophobicContact CG2-CD1 3.66Å
78L98.9Very high98.3Very high0 Ų023 Ų230%014%0.143CC..EExtended strand (participates in β ladder)trans-111.3119.2163.2169.361.4000109.1I80 C101 I103 A286 I299 A301 C303 V304 I305L78-I80 HydrophobicContact CG-CG1 4.39Å; L78-C101 HydrophobicContact CD1-CB 3.64Å; L78-I103 HydrophobicContact CD1-CD1 4.2Å; L78-I103 HydrophobicContact CD1-CG1 4.16Å; L78-I103 HydrophobicContact CD1-CG2 4.24Å; L78-A286 HydrophobicContact CD2-CB 3.75Å; L78-I299 HydrophobicContact CD1-CD1 4.2Å; L78-I299 HydrophobicContact CD1-CG2 4.24Å; L78-I299 HydrophobicContact CD2-CB 4.2Å; L78-I299 HydrophobicContact CD2-CG2 4.17Å; L78-A301 HydrophobicContact CB-CB 3.56Å; L78-C303 PolarHBondContact N-O 3.03Å; L78-V304 HydrophobicContact CB-CG2 4.31Å; L78-V304 HydrophobicContact CD2-CG2 4.28Å; L78-V304 CarbonylContact O-C 3.59Å; L78-V304 WeakPolarHBondContact O-CA 3.29Å; L78-I305 PolarHBondContact O-N 3.15Å
79V99Very high98.4Very high0 Ų019.4 Ų19.40%013%0.13CC..EExtended strand (participates in β ladder)trans-101.1127.2175.3-171.10000109.6V77 V89 A90 C101 L102 I103 I305 A307V77-V79 HydrophobicContact CG1-CG2 3.81Å; V79-V89 HydrophobicContact CG1-CB 4.38Å; V79-V89 HydrophobicContact CG1-CG1 4.35Å; V79-V89 HydrophobicContact CG2-CB 4.28Å; V79-V89 HydrophobicContact CG2-CG1 3.61Å; V79-A90 HydrophobicContact CG2-CB 4.28Å; V79-C101 PolarHBondContact N-O 3.38Å; V79-L102 HydrophobicContact CB-CD1 3.77Å; V79-L102 HydrophobicContact CG1-CD1 3.74Å; V79-I103 PolarHBondContact O-N 2.9Å; V79-I305 WeakPolarHBondContact CA-O 3.35Å; V79-A307 HydrophobicContact CG1-CB 4.26Å
80I98.9Very high98.4Very high8 Ų819.4 Ų19.44%0.04113%0.13CC..EExtended strand (participates in β ladder)trans-105.5115.1176.9-50.2179.5000108.5L78 I103 A254 I257 V304 I305 A307 T308 I315L78-I80 HydrophobicContact CG-CG1 4.39Å; I80-I103 HydrophobicContact CB-CG1 4.45Å; I80-I103 HydrophobicContact CG1-CD1 4.17Å; I80-I103 HydrophobicContact CG1-CG1 4.29Å; I80-I103 HydrophobicContact CG2-CD1 4.42Å; I80-I103 HydrophobicContact CG2-CG1 4.35Å; I80-A254 HydrophobicContact CD1-CB 3.94Å; I80-A254 HydrophobicContact CG2-CB 3.91Å; I80-I257 HydrophobicContact CD1-CD1 3.87Å; I80-V304 HydrophobicContact CD1-CG1 3.67Å; I80-V304 HydrophobicContact CG1-CG1 4.13Å; I80-I305 PolarHBondContact N-O 2.8Å; I80-A307 CarbonylContact O-C 3.37Å; I80-A307 WeakPolarHBondContact O-CA 3.39Å; I80-A307 PolarHBondContact O-N 2.83Å; I80-T308 HydrophobicContact CB-CG2 4.3Å; I80-T308 HydrophobicContact CG2-CG2 3.7Å; I80-T308 VanDerWaalsContact O-CG2 3.29Å; I80-T308 WeakPolarHBondContact O-CG2 3.37Å; I80-I315 HydrophobicContact CD1-CG2 4.18Å; I80-I315 HydrophobicContact CG2-CD1 4.06Å; I80-I315 HydrophobicContact CG2-CG1 4.29Å
81G98.7Very high98.4Very high3 Ų317.5 Ų17.53%0.03111%0.114CC..  trans111112.4-178.900000112.5G83 G86 L102 I103G81-G83 VanDerWaalsContact C-N 3.34Å; G81-G83 PolarHBondContact O-N 2.93Å; G81-G86 WeakPolarHBondContact O-CA 3.43Å; G81-L102 WeakPolarHBondContact O-CD1 3.4Å; G81-I103 PolarHBondContact N-O 2.95Å
82G98.6Very high98.5Very high0 Ų014 Ų140%09%0.089CC..  trans-93.933.8179.700000114.3E104 A109G82-E104 WeakPolarHBondContact CA-OE2 3.16Å; G82-E104 PolarHBondContact N-OE2 3.26Å; G82-A109 PolarHBondContact O-N 2.79Å
83G98.4Very high98.6Very high16 Ų1611.9 Ų11.917%0.1657%0.067CC..SBendtrans-80.3-179.4164.900000112G81 T85 G86 A87 S113G81-G83 VanDerWaalsContact C-N 3.34Å; G81-G83 PolarHBondContact O-N 2.93Å; G83-T85 VanDerWaalsContact C-N 3.31Å; G83-T85 PolarHBondContact O-N 3.23Å; G83-G86 PolarHBondContact O-N 3.47Å; G83-A87 VanDerWaalsContact O-CB 3.29Å; G83-A87 WeakPolarHBondContact O-CB 3.44Å; G83-A87 PolarHBondContact O-N 3.25Å; G83-S113 WeakPolarHBondContact CA-OG 3.3Å
84A98.2Very high98.7Very high2 Ų29 Ų92%0.0175%0.054CC..Hα-helixtrans-54.3-45.1-174.700000112.7G88 S113 C234 W455 Y458A84-G88 PolarHBondContact O-N 3.2Å; A84-S113 PolarHBondContact N-OG 2.61Å; A84-C234 PolarHBondContact N-SG 3.45Å; A84-C234 VanDerWaalsContact N-SG 3.37Å; A84-W455 HydrophobicContact CB-CD2 4.37Å; A84-W455 HydrophobicContact CB-CZ2 4.1Å; A84-Y458 WeakPolarHBondContact O-CD2 3.45Å
85T98Very high98.7Very high29 Ų295 Ų518%0.1783%0.034CC..Hα-helixtrans-63.8-51.2178.1-52.40000111.9G83 G88 V89 I450 M461G83-T85 VanDerWaalsContact C-N 3.31Å; G83-T85 PolarHBondContact O-N 3.23Å; T85-G88 WeakPolarHBondContact O-CA 3.48Å; T85-G88 PolarHBondContact O-N 3.29Å; T85-V89 WeakPolarHBondContact O-CG2 3.15Å; T85-V89 PolarHBondContact O-N 3.46Å; T85-I450 HydrophobicContact CG2-CB 4.46Å; T85-I450 HydrophobicContact CG2-CG1 3.6Å; T85-I450 HydrophobicContact CG2-CG2 3.94Å; T85-M461 HydrophobicContact CG2-CB 4.39Å; T85-M461 HydrophobicContact CG2-CE 4.49Å
86G98.7Very high98.7Very high0 Ų05.5 Ų5.50%04%0.036CC..Hα-helixtrans-69.5-37.2-177.900000113.4G81 G83 G88 V89 A90G81-G86 WeakPolarHBondContact O-CA 3.43Å; G83-G86 PolarHBondContact O-N 3.47Å; G86-G88 VanDerWaalsContact C-N 3.3Å; G86-G88 PolarHBondContact O-N 3.41Å; G86-V89 PolarHBondContact O-N 3Å; G86-A90 WeakPolarHBondContact O-CB 3.5Å; G86-A90 PolarHBondContact O-N 3.37Å
87A98.9Very high98.7Very high0 Ų05.7 Ų5.70%05%0.046CC..Hα-helixtrans-60.2-41.8169.200000111.3G83 A90 L91 L102 I237 A238G83-A87 VanDerWaalsContact O-CB 3.29Å; G83-A87 WeakPolarHBondContact O-CB 3.44Å; G83-A87 PolarHBondContact O-N 3.25Å; A87-A90 PolarHBondContact O-N 2.96Å; A87-L91 WeakPolarHBondContact O-CB 3.23Å; A87-L91 PolarHBondContact O-N 2.73Å; A87-L102 HydrophobicContact CB-CD2 4.46Å; A87-I237 VanDerWaalsContact C-CG2 3.42Å; A87-I237 HydrophobicContact CB-CB 4.16Å; A87-I237 HydrophobicContact CB-CG2 3.73Å; A87-I237 WeakPolarHBondContact O-CG2 3.17Å; A87-A238 HydrophobicContact CB-CB 4.15Å
88G98.8Very high98.7Very high2 Ų26 Ų62%0.0215%0.047CC..Hα-helixtrans-62.9-44.2174.900000113.2A84 T85 G86 A90 L91 D92 A462A84-G88 PolarHBondContact O-N 3.2Å; T85-G88 WeakPolarHBondContact O-CA 3.48Å; T85-G88 PolarHBondContact O-N 3.29Å; G86-G88 VanDerWaalsContact C-N 3.3Å; G86-G88 PolarHBondContact O-N 3.41Å; G88-A90 VanDerWaalsContact C-N 3.34Å; G88-L91 PolarHBondContact O-N 2.9Å; G88-D92 WeakPolarHBondContact O-CB 3.29Å; G88-D92 PolarHBondContact O-N 2.92Å; G88-A462 WeakPolarHBondContact O-CB 3.44Å
89V98.9Very high98.7Very high0 Ų07.2 Ų7.20%06%0.056CC..Hα-helixtrans-60.9-45.5175.5171.20000110.2V79 T85 G86 D92 A93 I305 A462 T465 V466V79-V89 HydrophobicContact CG1-CB 4.38Å; V79-V89 HydrophobicContact CG1-CG1 4.35Å; V79-V89 HydrophobicContact CG2-CB 4.28Å; V79-V89 HydrophobicContact CG2-CG1 3.61Å; T85-V89 WeakPolarHBondContact O-CG2 3.15Å; T85-V89 PolarHBondContact O-N 3.46Å; G86-V89 PolarHBondContact O-N 3Å; V89-D92 PolarHBondContact O-N 3.06Å; V89-A93 WeakPolarHBondContact O-CB 3.25Å; V89-A93 PolarHBondContact O-N 3.17Å; V89-I305 HydrophobicContact CG1-CD1 3.54Å; V89-I305 HydrophobicContact CG1-CG2 4.25Å; V89-A462 HydrophobicContact CB-CB 4.5Å; V89-A462 HydrophobicContact CG2-CB 3.96Å; V89-T465 HydrophobicContact CG2-CG2 4.12Å; V89-V466 HydrophobicContact CG1-CG2 3.93Å
90A98.9Very high98.6Very high0 Ų07.2 Ų7.20%06%0.056CC..Hα-helixtrans-62.8-43.8178.700000111.6V79 G86 A87 G88 A94 T100 L102 A241V79-A90 HydrophobicContact CG2-CB 4.28Å; G86-A90 WeakPolarHBondContact O-CB 3.5Å; G86-A90 PolarHBondContact O-N 3.37Å; A87-A90 PolarHBondContact O-N 2.96Å; G88-A90 VanDerWaalsContact C-N 3.34Å; A90-A94 WeakPolarHBondContact O-CB 3.29Å; A90-A94 PolarHBondContact O-N 2.83Å; A90-T100 HydrophobicContact CB-CG2 4.08Å; A90-L102 HydrophobicContact CB-CB 3.9Å; A90-L102 HydrophobicContact CB-CD1 4.35Å; A90-L102 HydrophobicContact CB-CD2 4.03Å; A90-L102 HydrophobicContact CB-CG 4.32Å; A90-A241 HydrophobicContact CB-CB 4.26Å
91L98.9Very high98.6Very high4 Ų46.9 Ų6.92%0.0215%0.054CC..Hα-helixtrans-61.9-47.5175.4173.656.4000111.4A87 G88 S95 I237 T240 A241 Y244 T483 L486 L488A87-L91 WeakPolarHBondContact O-CB 3.23Å; A87-L91 PolarHBondContact O-N 2.73Å; G88-L91 PolarHBondContact O-N 2.9Å; L91-S95 WeakPolarHBondContact O-CB 3.49Å; L91-S95 PolarHBondContact O-N 3.35Å; L91-S95 PolarHBondContact O-OG 3.39Å; L91-I237 HydrophobicContact CB-CG2 4.16Å; L91-I237 HydrophobicContact CD2-CG2 3.94Å; L91-T240 HydrophobicContact CD1-CG2 3.74Å; L91-T240 HydrophobicContact CD2-CG2 4.36Å; L91-A241 HydrophobicContact CB-CB 4Å; L91-A241 HydrophobicContact CD1-CB 4.5Å; L91-Y244 HydrophobicContact CD1-CD2 3.73Å; L91-Y244 HydrophobicContact CD1-CE2 4.18Å; L91-T483 HydrophobicContact CG-CG2 4.35Å; L91-L486 HydrophobicContact CD1-CD2 4.32Å; L91-L486 HydrophobicContact CD2-CD2 4.31Å; L91-L488 HydrophobicContact CD2-CD2 3.94Å
92D98.9Very high98.6Very high0 Ų06.7 Ų6.70%05%0.052CC..Hα-helixtrans-62.3-52.4-179.7-175.423.5000111.4G88 V89 A94 S95 R96 E463 V466 C481 T483G88-D92 WeakPolarHBondContact O-CB 3.29Å; G88-D92 PolarHBondContact O-N 2.92Å; V89-D92 PolarHBondContact O-N 3.06Å; D92-A94 PolarHBondContact O-N 3.41Å; D92-S95 PolarHBondContact O-N 3.16Å; D92-S95 VanDerWaalsContact O-N 3.12Å; D92-S95 PolarHBondContact O-OG 3.03Å; D92-R96 VanDerWaalsContact CG-NE 3.28Å; D92-R96 WeakPolarHBondContact O-CG 3.17Å; D92-R96 PolarHBondContact O-N 3.38Å; D92-R96 IonicContact OD1-CZ 2.66Å; D92-R96 IonicContact OD1-NE 3.57Å; D92-R96 PolarHBondContact OD1-NE 2.91Å; D92-R96 IonicContact OD1-NH2 2.82Å; D92-R96 IonicContact OD2-CZ 3.65Å; D92-R96 VanDerWaalsContact OD2-CZ 3.32Å; D92-R96 IonicContact OD2-NE 3.18Å; D92-R96 PolarHBondContact OD2-NE 3.28Å; D92-R96 VanDerWaalsContact OD2-NE 3.17Å; D92-R96 IonicContact OD2-NH2 3.22Å; D92-R96 PolarHBondContact OD2-NH2 2.88Å; D92-E463 VanDerWaalsContact OD2-CA 3.3Å; D92-E463 WeakPolarHBondContact OD2-CA 3.3Å; D92-V466 HydrophobicContact CB-CG2 4.1Å; D92-V466 WeakPolarHBondContact OD2-CB 3.29Å; D92-C481 PolarHBondContact OD1-SG 2.57Å; D92-C481 VanDerWaalsContact OD1-SG 3.35Å; D92-T483 HydrophobicContact CB-CG2 3.69Å
93A98.9Very high98.7Very high0 Ų06.8 Ų6.80%05%0.053CC..Hα-helixtrans-55.9-50178.600000112.1V77 V89 S95 R96 G97 L98 T100 V466V77-A93 HydrophobicContact CB-CB 4.44Å; V77-A93 HydrophobicContact CG2-CB 4.2Å; V89-A93 WeakPolarHBondContact O-CB 3.25Å; V89-A93 PolarHBondContact O-N 3.17Å; A93-S95 VanDerWaalsContact C-N 3.32Å; A93-S95 PolarHBondContact O-N 3.01Å; A93-R96 PolarHBondContact O-N 3.44Å; A93-R96 VanDerWaalsContact O-N 3.14Å; A93-G97 PolarHBondContact O-N 2.93Å; A93-L98 HydrophobicContact CB-CB 4.38Å; A93-L98 HydrophobicContact CB-CD1 4.17Å; A93-L98 WeakPolarHBondContact O-CB 3.37Å; A93-L98 PolarHBondContact O-N 3.1Å; A93-L98 VanDerWaalsContact O-N 3.07Å; A93-T100 HydrophobicContact CB-CG2 4.18Å; A93-T100 WeakPolarHBondContact CB-OG1 3.29Å; A93-V466 HydrophobicContact CB-CG1 4.43Å; A93-V466 HydrophobicContact CB-CG2 4.16Å
94A98.8Very high98.7Very high4 Ų47.2 Ų7.23%0.0335%0.05CC..Hα-helixtrans-62.7-39.7177.500000111.9A90 D92 R96 G97 T100 A246A90-A94 WeakPolarHBondContact O-CB 3.29Å; A90-A94 PolarHBondContact O-N 2.83Å; D92-A94 PolarHBondContact O-N 3.41Å; A94-R96 VanDerWaalsContact C-N 3.25Å; A94-R96 PolarHBondContact O-N 3.38Å; A94-G97 WeakPolarHBondContact O-CA 3.48Å; A94-G97 PolarHBondContact O-N 3.11Å; A94-T100 PolarHBondContact N-OG1 3.23Å; A94-A246 HydrophobicContact CB-CB 3.88Å
95S98.2Very high98.7Very high4 Ų410.1 Ų10.13%0.0286%0.061CC..Hα-helixtrans-65.4-27.9177.484.70000112.4L91 D92 A93 G97 R482L91-S95 WeakPolarHBondContact O-CB 3.49Å; L91-S95 PolarHBondContact O-N 3.35Å; L91-S95 PolarHBondContact O-OG 3.39Å; D92-S95 PolarHBondContact O-N 3.16Å; D92-S95 VanDerWaalsContact O-N 3.12Å; D92-S95 PolarHBondContact O-OG 3.03Å; A93-S95 VanDerWaalsContact C-N 3.32Å; A93-S95 PolarHBondContact O-N 3.01Å; S95-G97 PolarHBondContact O-N 2.94Å; S95-R482 PolarHBondContact O-NE 3.28Å; S95-R482 PolarHBondContact O-NH2 3.46Å
96R98.5Very high98.7Very high11 Ų1110.7 Ų10.74%0.0426%0.063CC..THydrogen-bonded Turntrans-78.9-1.4172.2-63.5173.9-169.2-139.916.9113.4D92 A93 A94 E463 D467 P477 T478 G479D92-R96 VanDerWaalsContact CG-NE 3.28Å; D92-R96 WeakPolarHBondContact O-CG 3.17Å; D92-R96 PolarHBondContact O-N 3.38Å; D92-R96 IonicContact OD1-CZ 2.66Å; D92-R96 IonicContact OD1-NE 3.57Å; D92-R96 PolarHBondContact OD1-NE 2.91Å; D92-R96 IonicContact OD1-NH2 2.82Å; D92-R96 IonicContact OD2-CZ 3.65Å; D92-R96 VanDerWaalsContact OD2-CZ 3.32Å; D92-R96 IonicContact OD2-NE 3.18Å; D92-R96 PolarHBondContact OD2-NE 3.28Å; D92-R96 VanDerWaalsContact OD2-NE 3.17Å; D92-R96 IonicContact OD2-NH2 3.22Å; D92-R96 PolarHBondContact OD2-NH2 2.88Å; A93-R96 PolarHBondContact O-N 3.44Å; A93-R96 VanDerWaalsContact O-N 3.14Å; A94-R96 VanDerWaalsContact C-N 3.25Å; A94-R96 PolarHBondContact O-N 3.38Å; R96-E463 PolarHBondContact NH2-O 2.88Å; R96-D467 IonicContact CZ-OD1 3.85Å; R96-D467 VanDerWaalsContact CZ-OD1 3.27Å; R96-D467 IonicContact NH1-OD1 2.77Å; R96-D467 PolarHBondContact NH1-OD1 3.2Å; R96-D467 IonicContact NH2-OD1 2.67Å; R96-D467 PolarHBondContact NH2-OD1 2.85Å; R96-P477 HydrophobicContact CB-CB 3.88Å; R96-T478 PolarHBondContact O-N 3.16Å; R96-T478 PolarHBondContact O-OG1 2.96Å; R96-G479 PolarHBondContact O-N 3.49Å
97G98.3Very high98.7Very high37 Ų3710.7 Ų10.738%0.3816%0.063SC..THydrogen-bonded Turntrans80.121.9-178.200000114A93 A94 S95A93-G97 PolarHBondContact O-N 2.93Å; A94-G97 WeakPolarHBondContact O-CA 3.48Å; A94-G97 PolarHBondContact O-N 3.11Å; S95-G97 PolarHBondContact O-N 2.94Å
98L98.7Very high98.7Very high6 Ų610.8 Ų10.83%0.0316%0.063CC..  trans-81.7135.5170.7-62.6170.8000109.7D76 V77 A93 T100 V466 I470 L475 P477D76-L98 HydrophobicContact CB-CB 4.01Å; D76-L98 HydrophobicContact CB-CD2 4.05Å; V77-L98 HydrophobicContact CG2-CD1 4.15Å; A93-L98 HydrophobicContact CB-CB 4.38Å; A93-L98 HydrophobicContact CB-CD1 4.17Å; A93-L98 WeakPolarHBondContact O-CB 3.37Å; A93-L98 PolarHBondContact O-N 3.1Å; A93-L98 VanDerWaalsContact O-N 3.07Å; L98-T100 PolarHBondContact O-N 3.32Å; L98-T100 VanDerWaalsContact O-N 3.14Å; L98-T100 PolarHBondContact O-OG1 3.06Å; L98-V466 HydrophobicContact CD1-CG1 4.33Å; L98-I470 HydrophobicContact CD1-CG1 4.45Å; L98-L475 HydrophobicContact CD1-CD1 4.23Å; L98-L475 HydrophobicContact CD2-CB 4.07Å; L98-P477 HydrophobicContact CD2-CB 4.16Å; L98-P477 HydrophobicContact CG-CB 4.24Å
99S98.7Very high98.6Very high26 Ų2610.8 Ų10.818%0.1826%0.063CC..  trans-65113.9171.557.90000109.4F75 D76 V77F75-S99 WeakPolarHBondContact CA-OG 3.47Å; D76-S99 WeakPolarHBondContact CB-O 3.36Å; D76-S99 VanDerWaalsContact CG-OG 3.24Å; D76-S99 PolarHBondContact N-O 3.23Å; D76-S99 PolarHBondContact N-OG 2.78Å; D76-S99 PolarHBondContact OD2-N 3.18Å; D76-S99 PolarHBondContact OD2-OG 3.19Å; V77-S99 PolarHBondContact N-O 3.4Å; V77-S99 VanDerWaalsContact N-O 3.09Å
100T98.9Very high98.5Very high0 Ų011.2 Ų11.20%07%0.066CC..EExtended strand (participates in β ladder)trans-125.7134.8-165-58.30000111.5V77 A90 A93 A94 L98 A246 A247V77-T100 HydrophobicContact CB-CG2 4.45Å; V77-T100 CarbonylContact O-C 3.48Å; V77-T100 WeakPolarHBondContact O-CA 3.45Å; A90-T100 HydrophobicContact CB-CG2 4.08Å; A93-T100 HydrophobicContact CB-CG2 4.18Å; A93-T100 WeakPolarHBondContact CB-OG1 3.29Å; A94-T100 PolarHBondContact N-OG1 3.23Å; L98-T100 PolarHBondContact O-N 3.32Å; L98-T100 VanDerWaalsContact O-N 3.14Å; L98-T100 PolarHBondContact O-OG1 3.06Å; T100-A246 HydrophobicContact CG2-CB 4.46Å; T100-A246 WeakPolarHBondContact O-CA 3.46Å; T100-A247 PolarHBondContact O-N 3.12Å
101C98.7Very high98.3Very high0 Ų012.9 Ų12.90%08%0.083CC..EExtended strand (participates in β ladder)trans-111.7138.8167.3-81.90000110.8F75 V77 L78 V79 A247 I299F75-C101 WeakPolarHBondContact CD1-SG 3.14Å; F75-C101 VanDerWaalsContact CD2-SG 3.57Å; F75-C101 WeakPolarHBondContact CE1-SG 3.19Å; F75-C101 WeakPolarHBondContact CE2-SG 3.39Å; F75-C101 VanDerWaalsContact CG-SG 3.6Å; F75-C101 WeakPolarHBondContact CZ-SG 3.16Å; V77-C101 PolarHBondContact O-N 2.98Å; L78-C101 HydrophobicContact CD1-CB 3.64Å; V79-C101 PolarHBondContact N-O 3.38Å; C101-A247 CarbonylContact C-O 3.55Å; C101-A247 VanDerWaalsContact CA-O 3.26Å; C101-A247 WeakPolarHBondContact CA-O 3.36Å; C101-I299 HydrophobicContact CB-CG2 4.38Å
102L98.9Very high98.2Very high0 Ų014.9 Ų14.90%010%0.096CC..EExtended strand (participates in β ladder)trans-124.4123.2167.9175.564.8000109.4V79 G81 A87 A90 F108 A238 A247 I248 A249V79-L102 HydrophobicContact CB-CD1 3.77Å; V79-L102 HydrophobicContact CG1-CD1 3.74Å; G81-L102 WeakPolarHBondContact O-CD1 3.4Å; A87-L102 HydrophobicContact CB-CD2 4.46Å; A90-L102 HydrophobicContact CB-CB 3.9Å; A90-L102 HydrophobicContact CB-CD1 4.35Å; A90-L102 HydrophobicContact CB-CD2 4.03Å; A90-L102 HydrophobicContact CB-CG 4.32Å; L102-F108 HydrophobicContact CD2-CD1 4.42Å; L102-F108 HydrophobicContact CD2-CE1 3.85Å; L102-F108 HydrophobicContact CG-CE1 4.23Å; L102-A238 HydrophobicContact CD2-CB 4.27Å; L102-A247 PolarHBondContact N-O 3.26Å; L102-I248 HydrophobicContact CB-CB 4.27Å; L102-I248 HydrophobicContact CB-CG2 3.83Å; L102-I248 HydrophobicContact CD2-CG2 4.26Å; L102-I248 WeakPolarHBondContact O-CA 3.49Å; L102-A249 PolarHBondContact O-N 3.3Å
103I98.9Very high98.1Very high2 Ų215.6 Ų15.61%0.0110%0.101CC..EExtended strand (participates in β ladder)trans-117.4140.6174.463.2175.4000110.8M69 L78 V79 I80 G81 A249 V252 A254 V288 I299M69-I103 HydrophobicContact CE-CG2 4.17Å; M69-I103 HydrophobicContact SD-CG2 4.06Å; L78-I103 HydrophobicContact CD1-CD1 4.2Å; L78-I103 HydrophobicContact CD1-CG1 4.16Å; L78-I103 HydrophobicContact CD1-CG2 4.24Å; V79-I103 PolarHBondContact O-N 2.9Å; I80-I103 HydrophobicContact CB-CG1 4.45Å; I80-I103 HydrophobicContact CG1-CD1 4.17Å; I80-I103 HydrophobicContact CG1-CG1 4.29Å; I80-I103 HydrophobicContact CG2-CD1 4.42Å; I80-I103 HydrophobicContact CG2-CG1 4.35Å; G81-I103 PolarHBondContact N-O 2.95Å; I103-A249 WeakPolarHBondContact CA-O 3.46Å; I103-V252 HydrophobicContact CB-CB 4.01Å; I103-V252 HydrophobicContact CB-CG1 3.94Å; I103-V252 HydrophobicContact CD1-CG1 4.46Å; I103-V252 HydrophobicContact CG2-CB 4.07Å; I103-V252 HydrophobicContact CG2-CG1 3.68Å; I103-A254 HydrophobicContact CD1-CB 4.11Å; I103-V288 HydrophobicContact CD1-CG1 3.55Å; I103-I299 HydrophobicContact CG2-CD1 3.79Å
104E98.8Very high98Very high24 Ų2415.6 Ų15.611%0.11210%0.101CC..  trans-130.7130.3175.1173.843.3-109.600109.2G82 L106 D107 F108 A249 N250 Y251 V252G82-E104 WeakPolarHBondContact CA-OE2 3.16Å; G82-E104 PolarHBondContact N-OE2 3.26Å; E104-L106 VanDerWaalsContact C-N 3.33Å; E104-L106 PolarHBondContact O-N 2.86Å; E104-L106 PolarHBondContact OE1-N 3.08Å; E104-D107 VanDerWaalsContact CG-O 3.3Å; E104-D107 WeakPolarHBondContact CG-O 3.41Å; E104-F108 HydrophobicContact CB-CD1 4.18Å; E104-F108 HydrophobicContact CB-CE1 4.24Å; E104-A249 PolarHBondContact N-O 3.37Å; E104-N250 CarbonylContact O-C 3.51Å; E104-Y251 CarbonylContact O-C 3.43Å; E104-Y251 WeakPolarHBondContact O-CA 3.31Å; E104-Y251 PolarHBondContact O-N 3.31Å; E104-V252 CarbonylContact C-O 3.26Å; E104-V252 VanDerWaalsContact C-O 3.28Å; E104-V252 PolarHBondContact O-N 3.02Å
105R98.3Very high97.8Very high63 Ų6316.4 Ų16.424%0.23810%0.103CC..SBendtrans-66.9-33.5-175.2177.1174.159.1131.65112.5V252 E253 R291 D381R105-V252 PolarHBondContact N-O 2.9Å; R105-E253 HydrophobicContact CB-CB 4.44Å; R105-E253 WeakPolarHBondContact CD-OE1 3.35Å; R105-E253 HydrophobicContact CG-CB 3.96Å; R105-E253 HydrophobicContact CG-CG 3.93Å; R105-R291 VanDerWaalsContact O-CD 3.29Å; R105-R291 WeakPolarHBondContact O-CD 3.38Å; R105-D381 IonicContact CZ-OD1 3.63Å; R105-D381 IonicContact CZ-OD2 3.81Å; R105-D381 IonicContact NH1-OD1 3.69Å; R105-D381 PolarHBondContact NH1-OD1 3.41Å; R105-D381 IonicContact NH1-OD2 3.35Å; R105-D381 PolarHBondContact NH1-OD2 3.36Å; R105-D381 IonicContact NH2-OD1 3.56Å; R105-D381 PolarHBondContact NH2-OD1 3.18Å; R105-D381 IonicContact NH2-OD2 3.15Å
106L97.9Very high97.6Very high41 Ų4117.3 Ų17.322%0.21511%0.11CC..SBendtrans-112.6-139.5174.8-62.3177.4000108.5E104 S110 N250 Y251 R291E104-L106 VanDerWaalsContact C-N 3.33Å; E104-L106 PolarHBondContact O-N 2.86Å; E104-L106 PolarHBondContact OE1-N 3.08Å; L106-S110 WeakPolarHBondContact CB-OG 3.26Å; L106-N250 CarbonylContact O-C 3.59Å; L106-N250 VanDerWaalsContact O-CB 3.3Å; L106-N250 WeakPolarHBondContact O-CB 3.35Å; L106-Y251 PolarHBondContact O-N 2.93Å; L106-R291 VanDerWaalsContact CD2-NH1 3.32Å
107D98.6Very high97.4Very high0 Ų018 Ų180%012%0.115CC..SBendtrans-88.2157.9171.2-172.229.1000112.1E104 A109 S110 N250 Y251 D569 R573 R574E104-D107 VanDerWaalsContact CG-O 3.3Å; E104-D107 WeakPolarHBondContact CG-O 3.41Å; D107-A109 PolarHBondContact O-N 2.83Å; D107-S110 WeakPolarHBondContact O-CB 3.47Å; D107-S110 PolarHBondContact O-N 3.03Å; D107-S110 VanDerWaalsContact O-N 3.13Å; D107-S110 PolarHBondContact O-OG 3.45Å; D107-N250 PolarHBondContact OD1-ND2 2.94Å; D107-Y251 HydrophobicContact CB-CE2 4.04Å; D107-D569 WeakPolarHBondContact CB-OD1 3.49Å; D107-D569 WeakPolarHBondContact OD2-CB 3.33Å; D107-R573 WeakPolarHBondContact OD2-CD 3.35Å; D107-R573 IonicContact OD2-CZ 3.39Å; D107-R573 IonicContact OD2-NE 2.66Å; D107-R573 PolarHBondContact OD2-NE 2.79Å; D107-R573 IonicContact OD2-NH2 3.7Å; D107-R574 IonicContact OD1-NH1 2.77Å; D107-R574 IonicContact OD1-NH2 3.71Å; D107-R574 PolarHBondContact OD1-NH2 2.76Å; D107-R574 IonicContact OD2-CZ 2.73Å; D107-R574 IonicContact OD2-NH1 3.54Å; D107-R574 PolarHBondContact OD2-NH1 3.18Å; D107-R574 IonicContact OD2-NH2 3.38Å
108F98.7Very high97.3Very high2 Ų216.2 Ų16.21%0.00910%0.097CC..THydrogen-bonded Turntrans-54.5139.3175-64.9-66.3000110.6L102 E104 S110 L235 A238 I248 N250 Y563 R573L102-F108 HydrophobicContact CD2-CD1 4.42Å; L102-F108 HydrophobicContact CD2-CE1 3.85Å; L102-F108 HydrophobicContact CG-CE1 4.23Å; E104-F108 HydrophobicContact CB-CD1 4.18Å; E104-F108 HydrophobicContact CB-CE1 4.24Å; F108-S110 PolarHBondContact O-N 3.35Å; F108-S110 VanDerWaalsContact O-N 3.09Å; F108-L235 HydrophobicContact CB-CD1 4.25Å; F108-L235 HydrophobicContact CD2-CD1 4.06Å; F108-L235 HydrophobicContact CG-CD1 4.46Å; F108-A238 HydrophobicContact CD1-CB 4.2Å; F108-A238 HydrophobicContact CE1-CB 4.39Å; F108-A238 HydrophobicContact CG-CB 4.47Å; F108-I248 HydrophobicContact CE2-CD1 4.3Å; F108-I248 HydrophobicContact CZ-CB 4.01Å; F108-I248 HydrophobicContact CZ-CD1 4.03Å; F108-I248 HydrophobicContact CZ-CG1 4.17Å; F108-N250 HydrophobicContact CD2-CB 3.94Å; F108-N250 HydrophobicContact CE2-CB 3.8Å; F108-N250 HydrophobicContact CG-CB 4.44Å; F108-N250 HydrophobicContact CZ-CB 4.17Å; F108-Y563 AromaticContact CE2-CD2 3.93Å; F108-Y563 HydrophobicContact CE2-CD2 3.93Å; F108-Y563 HydrophobicContact CE2-CG 4.47Å; F108-R573 WeakPolarHBondContact O-CD 3.49Å
109A98Very high97.2Very high2 Ų216.9 Ų16.92%0.01710%0.1CC..THydrogen-bonded Turntrans62.43.2-176.900000117.2G82 D107 G111 S114 A231 C234G82-A109 PolarHBondContact O-N 2.79Å; D107-A109 PolarHBondContact O-N 2.83Å; A109-G111 VanDerWaalsContact C-N 3.29Å; A109-G111 PolarHBondContact O-N 2.99Å; A109-S114 WeakPolarHBondContact O-CB 3.46Å; A109-S114 PolarHBondContact O-N 2.76Å; A109-S114 PolarHBondContact O-OG 2.85Å; A109-A231 HydrophobicContact CB-CB 4.47Å; A109-C234 HydrophobicContact CB-CB 3.57Å; A109-C234 VanDerWaalsContact CB-SG 3.58Å
110S96.9Very high97Very high9 Ų915.6 Ų15.66%0.0639%0.091CC..THydrogen-bonded Turntrans-59-30-173.453.90000115.9L106 D107 F108L106-S110 WeakPolarHBondContact CB-OG 3.26Å; D107-S110 WeakPolarHBondContact O-CB 3.47Å; D107-S110 PolarHBondContact O-N 3.03Å; D107-S110 VanDerWaalsContact O-N 3.13Å; D107-S110 PolarHBondContact O-OG 3.45Å; F108-S110 PolarHBondContact O-N 3.35Å; F108-S110 VanDerWaalsContact O-N 3.09Å
111G95Very high96.4Very high36 Ų3617.4 Ų17.437%0.37110%0.1SC..THydrogen-bonded Turntrans-81.9-135.6175.400000113.4A109 S113 S114A109-G111 VanDerWaalsContact C-N 3.29Å; A109-G111 PolarHBondContact O-N 2.99Å; G111-S113 PolarHBondContact O-N 3.03Å; G111-S113 VanDerWaalsContact O-N 3.08Å; G111-S114 PolarHBondContact O-N 2.8Å; G111-S114 PolarHBondContact O-OG 2.91Å
112T95.1Very high95.6Very high45 Ų4517.4 Ų17.428%0.27610%0.1SC..G310 helixtrans-53-33.8-175.7-50.90000114.3S114 R115 P310 I419T112-S114 VanDerWaalsContact C-N 3.28Å; T112-S114 PolarHBondContact O-N 3.49Å; T112-R115 PolarHBondContact O-N 3.3Å; T112-P310 WeakPolarHBondContact OG1-CD 3.17Å; T112-P310 WeakPolarHBondContact OG1-CG 3.06Å; T112-I419 WeakPolarHBondContact CB-O 3.18Å; T112-I419 WeakPolarHBondContact CG2-O 3.31Å; T112-I419 PolarHBondContact OG1-O 3.17Å
113S96.8Very high94.8Very high15 Ų1517.4 Ų17.411%0.10510%0.1CC..G310 helixtrans-70.1-17.8-168.6-61.30000115G83 A84 G111 D230 W455G83-S113 WeakPolarHBondContact CA-OG 3.3Å; A84-S113 PolarHBondContact N-OG 2.61Å; G111-S113 PolarHBondContact O-N 3.03Å; G111-S113 VanDerWaalsContact O-N 3.08Å; S113-D230 WeakPolarHBondContact O-CB 3.34Å; S113-W455 PolarHBondContact O-NE1 2.86Å; S113-W455 VanDerWaalsContact O-NE1 3.15Å
114S96.8Very high93.7Very high1 Ų118.6 Ų18.61%0.00711%0.107CC..G310 helixtrans-106.5-0.3175.963.20000113.9A109 G111 T112 K118 D230 R576A109-S114 WeakPolarHBondContact O-CB 3.46Å; A109-S114 PolarHBondContact O-N 2.76Å; A109-S114 PolarHBondContact O-OG 2.85Å; G111-S114 PolarHBondContact O-N 2.8Å; G111-S114 PolarHBondContact O-OG 2.91Å; T112-S114 VanDerWaalsContact C-N 3.28Å; T112-S114 PolarHBondContact O-N 3.49Å; S114-K118 PolarHBondContact O-NZ 3.31Å; S114-D230 VanDerWaalsContact C-OD2 3.23Å; S114-R576 PolarHBondContact O-NH2 3.22Å
115R96Very high92.5Very high20 Ų2023.5 Ų23.58%0.07513%0.125CC..SBendtrans-117.237.1-174.2-54.1-166.1-162.2-157.1-0.1111.6T112 P383 A417 F579 E621T112-R115 PolarHBondContact O-N 3.3Å; R115-P383 VanDerWaalsContact NH1-CG 3.28Å; R115-P383 PolarHBondContact NH1-O 3.42Å; R115-A417 WeakPolarHBondContact CD-O 3.17Å; R115-A417 PolarHBondContact NH1-O 3.25Å; R115-F579 HydrophobicContact CG-CZ 4.41Å; R115-E621 IonicContact CZ-OE2 3.8Å; R115-E621 VanDerWaalsContact CZ-OE2 3.31Å; R115-E621 IonicContact NH1-OE2 3.78Å; R115-E621 PolarHBondContact NH1-OE2 3.18Å; R115-E621 VanDerWaalsContact NH1-OE2 3.1Å; R115-E621 IonicContact NH2-OE2 2.92Å; R115-E621 PolarHBondContact NH2-OE2 3.01Å
116S94Very high91.1Very high24 Ų2423.6 Ų23.617%0.16813%0.126CC..SBendtrans-91.9172.1178.5790000112.5K118 D230S116-K118 PolarHBondContact O-N 3.23Å; S116-K118 VanDerWaalsContact O-N 3.11Å; S116-K118 PolarHBondContact O-NZ 2.66Å; S116-K118 WeakPolarHBondContact OG-CA 3.3Å; S116-K118 PolarHBondContact OG-N 3.05Å; S116-D230 WeakPolarHBondContact CB-OD2 3.26Å; S116-D230 PolarHBondContact N-OD2 2.76Å; S116-D230 VanDerWaalsContact N-OD2 3.1Å; S116-D230 PolarHBondContact OG-OD2 3.18Å
117T94.2Very high90.1Very high25 Ų2521.9 Ų21.915%0.15312%0.116CC..  trans-69.46.9166.7-44.60000112.9L119 H334 F360 L362 L369T117-L119 HydrophobicContact CG2-CD1 4.28Å; T117-L119 HydrophobicContact CG2-CG 4.43Å; T117-L119 PolarHBondContact O-N 2.76Å; T117-H334 PolarHBondContact OG1-NE2 3.44Å; T117-F360 HydrophobicContact CG2-CB 4.16Å; T117-F360 HydrophobicContact CG2-CD2 4.33Å; T117-F360 HydrophobicContact CG2-CG 4.42Å; T117-L362 HydrophobicContact CG2-CD1 3.8Å; T117-L362 VanDerWaalsContact O-CD1 3.25Å; T117-L362 WeakPolarHBondContact O-CD1 3.36Å; T117-L369 HydrophobicContact CG2-CD2 4.15Å
118K96.2Very high89Confident0 Ų026 Ų260%014%0.136CC..SBendtrans63.98.4179.7-49.2-67.1175-87.80114.8S114 S116 Q227 Q228 D230 W364 L369S114-K118 PolarHBondContact O-NZ 3.31Å; S116-K118 PolarHBondContact O-N 3.23Å; S116-K118 VanDerWaalsContact O-N 3.11Å; S116-K118 PolarHBondContact O-NZ 2.66Å; S116-K118 WeakPolarHBondContact OG-CA 3.3Å; S116-K118 PolarHBondContact OG-N 3.05Å; K118-Q227 HydrophobicContact CB-CG 4.39Å; K118-Q227 CarbonylContact O-C 3.56Å; K118-Q227 VanDerWaalsContact O-CA 3.3Å; K118-Q227 WeakPolarHBondContact O-CA 3.39Å; K118-Q227 VanDerWaalsContact O-CG 3.29Å; K118-Q227 WeakPolarHBondContact O-CG 3.38Å; K118-Q228 PolarHBondContact O-N 3.5Å; K118-D230 HydrophobicContact CD-CB 4.18Å; K118-D230 VanDerWaalsContact CD-CG 3.44Å; K118-D230 WeakPolarHBondContact CD-OD1 3.38Å; K118-D230 WeakPolarHBondContact CD-OD2 3.37Å; K118-D230 WeakPolarHBondContact CE-OD1 3.46Å; K118-D230 WeakPolarHBondContact CE-OD2 3.29Å; K118-D230 VanDerWaalsContact NZ-CG 3.33Å; K118-D230 IonicContact NZ-OD1 3.65Å; K118-D230 PolarHBondContact NZ-OD1 3.37Å; K118-D230 IonicContact NZ-OD2 3.32Å; K118-D230 PolarHBondContact NZ-OD2 2.95Å; K118-W364 HydrophobicContact CD-CZ2 3.82Å; K118-W364 HydrophobicContact CG-CD2 4.09Å; K118-W364 HydrophobicContact CG-CG 4.24Å; K118-W364 HydrophobicContact CG-CZ2 4.28Å; K118-L369 HydrophobicContact CB-CD1 4.39Å; K118-L369 HydrophobicContact CG-CD1 3.61Å
119L95.4Very high87.8Confident19 Ų1931.1 Ų31.110%0.09916%0.158CC..EExtended strand (participates in β ladder)trans-91.1143.5176.7-67.3177000111.7T117 L163 I165 G226 F360 L362T117-L119 HydrophobicContact CG2-CD1 4.28Å; T117-L119 HydrophobicContact CG2-CG 4.43Å; T117-L119 PolarHBondContact O-N 2.76Å; L119-L163 HydrophobicContact CD2-CD2 3.95Å; L119-I165 HydrophobicContact CD1-CD1 4.43Å; L119-I165 HydrophobicContact CD2-CD1 4.13Å; L119-G226 CarbonylContact C-O 3.42Å; L119-G226 WeakPolarHBondContact CA-O 3.39Å; L119-G226 WeakPolarHBondContact CD2-O 3.3Å; L119-F360 HydrophobicContact CD1-CD1 3.67Å; L119-F360 HydrophobicContact CD1-CD2 4.43Å; L119-F360 HydrophobicContact CD1-CE1 3.63Å; L119-F360 HydrophobicContact CD1-CE2 4.43Å; L119-F360 HydrophobicContact CD1-CG 4.06Å; L119-F360 HydrophobicContact CD1-CZ 4.04Å; L119-L362 HydrophobicContact CD1-CD1 3.87Å; L119-L362 HydrophobicContact CD2-CD1 3.66Å; L119-L362 HydrophobicContact CD2-CD2 4.2Å; L119-L362 HydrophobicContact CG-CD1 3.55Å
120I94.1Very high86.6Confident0 Ų031.3 Ų31.30%016%0.16CC..EExtended strand (participates in β ladder)trans-100.383.7164.2-52.8164000106.7G122 R149 L152 I153 A160 G226 Q228 T456I120-G122 PolarHBondContact O-N 2.94Å; I120-R149 HydrophobicContact CB-CG 4.15Å; I120-R149 HydrophobicContact CG2-CB 3.8Å; I120-R149 HydrophobicContact CG2-CG 3.71Å; I120-R149 VanDerWaalsContact O-CD 3.22Å; I120-R149 WeakPolarHBondContact O-CD 3.35Å; I120-R149 WeakPolarHBondContact O-CG 3.41Å; I120-L152 HydrophobicContact CD1-CB 4.09Å; I120-L152 HydrophobicContact CD1-CD1 4.43Å; I120-L152 HydrophobicContact CG1-CD1 4.42Å; I120-L152 HydrophobicContact CG2-CB 4.38Å; I120-L152 HydrophobicContact CG2-CD1 3.55Å; I120-I153 HydrophobicContact CD1-CG1 4.35Å; I120-A160 HydrophobicContact CD1-CB 3.53Å; I120-G226 PolarHBondContact N-O 3.16Å; I120-G226 PolarHBondContact O-N 3.37Å; I120-Q228 HydrophobicContact CD1-CB 3.8Å; I120-Q228 HydrophobicContact CD1-CG 4.29Å; I120-Q228 HydrophobicContact CG1-CB 3.9Å; I120-Q228 HydrophobicContact CG1-CG 3.81Å; I120-T456 HydrophobicContact CG2-CG2 3.52Å
121H87.4Confident85.6Confident37 Ų3734.5 Ų34.517%0.17118%0.175CC..  trans-72.8125.8-167.7-169.449.8000113G123 V124 D225 T456H121-G123 PolarHBondContact CD2-N 2.88Å; H121-G123 VanDerWaalsContact CD2-N 3.32Å; H121-G123 VanDerWaalsContact NE2-CA 3.32Å; H121-G123 WeakPolarHBondContact NE2-CA 3.37Å; H121-G123 PolarHBondContact NE2-N 2.9Å; H121-V124 PolarHBondContact NE2-N 2.91Å; H121-D225 WeakPolarHBondContact CA-OD2 3.43Å; H121-D225 IonicContact CE1-OD2 3.59Å; H121-D225 IonicContact CG-OD2 3.74Å; H121-D225 IonicContact ND1-OD2 2.86Å; H121-D225 PolarHBondContact ND1-OD2 3.05Å; H121-T456 PolarHBondContact N-OG1 3.45Å; H121-T456 PolarHBondContact O-OG1 2.72Å
122G82.4Confident84.7Confident0 Ų039 Ų390%019%0.185CC..  trans-87.98.1174.400000115.2I120 Y185 D225I120-G122 PolarHBondContact O-N 2.94Å; G122-Y185 VanDerWaalsContact CA-OH 3.29Å; G122-Y185 WeakPolarHBondContact CA-OH 3.43Å; G122-Y185 WeakPolarHBondContact O-CE2 3.5Å; G122-Y185 PolarHBondContact O-OH 3.46Å; G122-D225 PolarHBondContact N-OD1 2.81Å
123G80.7Confident84Confident1 Ų142 Ų421%0.0120%0.199CC..  trans86.927.2165.300000117.5H121 R125 Y126 L127H121-G123 PolarHBondContact CD2-N 2.88Å; H121-G123 VanDerWaalsContact CD2-N 3.32Å; H121-G123 VanDerWaalsContact NE2-CA 3.32Å; H121-G123 WeakPolarHBondContact NE2-CA 3.37Å; H121-G123 PolarHBondContact NE2-N 2.9Å; G123-R125 PolarHBondContact O-N 2.94Å; G123-R125 VanDerWaalsContact O-N 3.07Å; G123-Y126 WeakPolarHBondContact O-CB 3.46Å; G123-Y126 PolarHBondContact O-N 2.82Å; G123-L127 PolarHBondContact O-N 2.92Å; G123-L127 VanDerWaalsContact O-N 3.08Å
124V76.9Confident83.1Confident27 Ų2748.7 Ų48.716%0.16423%0.233CC..Hα-helixtrans-52.5-34.6-17780.20000113.9H121 L127 Q128 Y185H121-V124 PolarHBondContact NE2-N 2.91Å; V124-L127 WeakPolarHBondContact O-CB 3.36Å; V124-L127 PolarHBondContact O-N 3.24Å; V124-Q128 PolarHBondContact O-N 3.41Å; V124-Y185 HydrophobicContact CB-CD2 4.23Å; V124-Y185 HydrophobicContact CB-CE2 4.12Å; V124-Y185 HydrophobicContact CG2-CD2 4.02Å; V124-Y185 HydrophobicContact CG2-CE2 4.38Å; V124-Y185 HydrophobicContact CG2-CG 4.13Å
125R73.1Confident82.3Confident127 Ų12750.5 Ų50.548%0.47924%0.243SC..Hα-helixtrans-71.6-36.7176.8-67.1-174.873.6-173.46.2112.9G123 L127 Q128 K129G123-R125 PolarHBondContact O-N 2.94Å; G123-R125 VanDerWaalsContact O-N 3.07Å; R125-L127 VanDerWaalsContact C-N 3.26Å; R125-Q128 WeakPolarHBondContact O-CB 3.39Å; R125-Q128 PolarHBondContact O-N 3.39Å; R125-K129 PolarHBondContact O-N 3.22Å
126Y69.7Low81.7Confident65 Ų6556.1 Ų56.126%0.25527%0.273SS..Hα-helixtrans-67.1-35175.8-61.1-70.6000110.4G123 Q128 K129 A130 K454G123-Y126 WeakPolarHBondContact O-CB 3.46Å; G123-Y126 PolarHBondContact O-N 2.82Å; Y126-Q128 PolarHBondContact O-N 2.87Å; Y126-K129 PolarHBondContact O-N 3.16Å; Y126-A130 WeakPolarHBondContact O-CB 3.29Å; Y126-A130 PolarHBondContact O-N 3.42Å; Y126-K454 VanDerWaalsContact CE2-CE 3.4Å; Y126-K454 VanDerWaalsContact CZ-NZ 3.27Å; Y126-K454 WeakPolarHBondContact OH-CE 3.26Å; Y126-K454 PolarHBondContact OH-NZ 2.56Å
127L75.7Confident81.1Confident4 Ų459.8 Ų59.82%0.02129%0.287CS..Hα-helixtrans-61.3-45.1174.2178.459.8000111.9G123 V124 R125 K129 A130 I131 V142 M184 Y185 I188G123-L127 PolarHBondContact O-N 2.92Å; G123-L127 VanDerWaalsContact O-N 3.08Å; V124-L127 WeakPolarHBondContact O-CB 3.36Å; V124-L127 PolarHBondContact O-N 3.24Å; R125-L127 VanDerWaalsContact C-N 3.26Å; L127-K129 VanDerWaalsContact C-N 3.31Å; L127-K129 PolarHBondContact O-N 2.93Å; L127-A130 WeakPolarHBondContact O-CB 3.46Å; L127-A130 PolarHBondContact O-N 3.36Å; L127-I131 HydrophobicContact CD1-CD1 3.72Å; L127-I131 HydrophobicContact CD1-CG1 3.92Å; L127-I131 HydrophobicContact CD2-CD1 4.41Å; L127-I131 HydrophobicContact CG-CD1 3.76Å; L127-I131 HydrophobicContact CG-CG1 4.38Å; L127-I131 VanDerWaalsContact O-CG1 3.32Å; L127-I131 WeakPolarHBondContact O-CG1 3.4Å; L127-I131 PolarHBondContact O-N 3.25Å; L127-V142 HydrophobicContact CB-CG1 4.36Å; L127-V142 HydrophobicContact CB-CG2 4.06Å; L127-M184 HydrophobicContact CD2-CG 4.46Å; L127-Y185 VanDerWaalsContact CD2-CA 3.45Å; L127-Y185 HydrophobicContact CD2-CD2 3.76Å; L127-Y185 HydrophobicContact CD2-CG 4.21Å; L127-I188 HydrophobicContact CD1-CD1 3.24Å; L127-I188 HydrophobicContact CD2-CD1 3.86Å; L127-I188 HydrophobicContact CG-CD1 4.19Å
128Q76.9Confident80.5Confident86 Ų8658.8 Ų58.840%0.40228%0.281SS..Hα-helixtrans-54.4-50.1176.1-168.1-176.612.300110.6V124 R125 Y126 I131 F132 Y177V124-Q128 PolarHBondContact O-N 3.41Å; R125-Q128 WeakPolarHBondContact O-CB 3.39Å; R125-Q128 PolarHBondContact O-N 3.39Å; Y126-Q128 PolarHBondContact O-N 2.87Å; Q128-I131 PolarHBondContact O-N 3.25Å; Q128-F132 HydrophobicContact CG-CD2 3.74Å; Q128-F132 HydrophobicContact CG-CE2 3.51Å; Q128-F132 WeakPolarHBondContact O-CD2 3.39Å; Q128-F132 PolarHBondContact O-N 3.18Å; Q128-F132 VanDerWaalsContact O-N 3.08Å; Q128-Y177 PolarHBondContact NE2-OH 3.49Å
129K72.3Confident80Confident110 Ų11062.9 Ų62.948%0.47830%0.299SS..Hα-helixtrans-64.5-41.2177.4-68.8-174.4177.8-175.60113.1R125 Y126 L127 I131 F132 N133R125-K129 PolarHBondContact O-N 3.22Å; Y126-K129 PolarHBondContact O-N 3.16Å; L127-K129 VanDerWaalsContact C-N 3.31Å; L127-K129 PolarHBondContact O-N 2.93Å; K129-I131 VanDerWaalsContact C-N 3.3Å; K129-I131 PolarHBondContact O-N 3.03Å; K129-F132 PolarHBondContact O-N 3.23Å; K129-N133 VanDerWaalsContact O-CB 3.32Å; K129-N133 WeakPolarHBondContact O-CB 3.27Å; K129-N133 PolarHBondContact O-N 3.39Å
130A73.7Confident79.5Confident7 Ų767.5 Ų67.56%0.05832%0.315CS..Hα-helixtrans-57.5-44.117800000111.4Y126 L127 L134 D135 Q138 F139Y126-A130 WeakPolarHBondContact O-CB 3.29Å; Y126-A130 PolarHBondContact O-N 3.42Å; L127-A130 WeakPolarHBondContact O-CB 3.46Å; L127-A130 PolarHBondContact O-N 3.36Å; A130-L134 CarbonylContact O-C 3.36Å; A130-L134 WeakPolarHBondContact O-CA 3.27Å; A130-L134 PolarHBondContact O-N 3.41Å; A130-D135 PolarHBondContact O-N 3.09Å; A130-Q138 HydrophobicContact CB-CB 3.56Å; A130-F139 HydrophobicContact CB-CB 4.24Å
131I76Confident79Confident76 Ų7668.1 Ų68.139%0.3932%0.318SS..Hα-helixtrans-69.4-49.6179.3-64.6165.7000110.7L127 Q128 K129 N133 L134 M184L127-I131 HydrophobicContact CD1-CD1 3.72Å; L127-I131 HydrophobicContact CD1-CG1 3.92Å; L127-I131 HydrophobicContact CD2-CD1 4.41Å; L127-I131 HydrophobicContact CG-CD1 3.76Å; L127-I131 HydrophobicContact CG-CG1 4.38Å; L127-I131 VanDerWaalsContact O-CG1 3.32Å; L127-I131 WeakPolarHBondContact O-CG1 3.4Å; L127-I131 PolarHBondContact O-N 3.25Å; Q128-I131 PolarHBondContact O-N 3.25Å; K129-I131 VanDerWaalsContact C-N 3.3Å; K129-I131 PolarHBondContact O-N 3.03Å; I131-N133 VanDerWaalsContact C-N 3.33Å; I131-N133 PolarHBondContact O-N 3.21Å; I131-L134 PolarHBondContact O-N 2.94Å; I131-M184 HydrophobicContact CD1-CB 4.42Å; I131-M184 HydrophobicContact CD1-CG 3.73Å
132F76.4Confident79Confident129 Ų12966.4 Ų66.457%0.56631%0.31SS*.Hα-helixtrans-66.6-34.4-176.5-78-62.7000113.4Q128 K129 Y177Q128-F132 HydrophobicContact CG-CD2 3.74Å; Q128-F132 HydrophobicContact CG-CE2 3.51Å; Q128-F132 WeakPolarHBondContact O-CD2 3.39Å; Q128-F132 PolarHBondContact O-N 3.18Å; Q128-F132 VanDerWaalsContact O-N 3.08Å; K129-F132 PolarHBondContact O-N 3.23Å; F132-Y177 WeakPolarHBondContact CE2-OH 3.35Å; F132-Y177 AromaticContact CZ-CE2 3.93Å; F132-Y177 HydrophobicContact CZ-CE2 3.93Å; F132-Y177 WeakPolarHBondContact CZ-OH 3.39Å
133N79.8Confident79.3Confident109 Ų10968.7 Ų68.758%0.58332%0.322SS*.Hα-helixtrans-102.42.9-176.6-60.8-14.5000113.2K129 I131 D135K129-N133 VanDerWaalsContact O-CB 3.32Å; K129-N133 WeakPolarHBondContact O-CB 3.27Å; K129-N133 PolarHBondContact O-N 3.39Å; I131-N133 VanDerWaalsContact C-N 3.33Å; I131-N133 PolarHBondContact O-N 3.21Å; N133-D135 HydrophobicContact CB-CB 4.2Å; N133-D135 PolarHBondContact O-N 3.32Å
134L78.6Confident79.8Confident155 Ų15570 Ų7081%0.81233%0.328SS*.THydrogen-bonded Turntrans4939.7-172.4-60.7172.1000112.4A130 I131 I136A130-L134 CarbonylContact O-C 3.36Å; A130-L134 WeakPolarHBondContact O-CA 3.27Å; A130-L134 PolarHBondContact O-N 3.41Å; I131-L134 PolarHBondContact O-N 2.94Å; L134-I136 PolarHBondContact O-N 3Å
135D79.5Confident80.5Confident40 Ų4068.7 Ų68.721%0.21432%0.321CS..  trans-90.3102.9-171.2-174.5-26.4000110.2A130 N133 E137 Q138 F139 R436A130-D135 PolarHBondContact O-N 3.09Å; N133-D135 HydrophobicContact CB-CB 4.2Å; N133-D135 PolarHBondContact O-N 3.32Å; D135-E137 VanDerWaalsContact C-N 3.32Å; D135-E137 PolarHBondContact O-N 3.48Å; D135-E137 PolarHBondContact OD1-N 3.27Å; D135-E137 VanDerWaalsContact OD1-N 3.11Å; D135-Q138 HydrophobicContact CB-CB 3.99Å; D135-Q138 HydrophobicContact CB-CG 3.77Å; D135-Q138 WeakPolarHBondContact O-CB 3.36Å; D135-Q138 PolarHBondContact O-N 3.16Å; D135-Q138 PolarHBondContact OD1-N 2.67Å; D135-Q138 WeakPolarHBondContact OD2-CG 3.31Å; D135-F139 PolarHBondContact O-N 3.16Å; D135-F139 VanDerWaalsContact O-N 3.09Å; D135-R436 IonicContact OD2-NH1 2.83Å
136I83.2Confident81.4Confident137 Ų13762.7 Ų62.770%0.70330%0.298SS*.Hα-helixtrans-64.3-35.9-177.3-61.9173.9000111.5L134 Q138 F139 R140L134-I136 PolarHBondContact O-N 3Å; I136-Q138 VanDerWaalsContact C-N 3.35Å; I136-F139 WeakPolarHBondContact O-CB 3.27Å; I136-F139 PolarHBondContact O-N 2.94Å; I136-R140 PolarHBondContact O-N 3.27Å
137E81.4Confident82.6Confident102 Ų10260.3 Ų60.348%0.47729%0.291SS..Hα-helixtrans-67-39.6178.1-73.9-59.7135.100110.9D135 F139 R140 M141D135-E137 VanDerWaalsContact C-N 3.32Å; D135-E137 PolarHBondContact O-N 3.48Å; D135-E137 PolarHBondContact OD1-N 3.27Å; D135-E137 VanDerWaalsContact OD1-N 3.11Å; E137-F139 VanDerWaalsContact C-N 3.33Å; E137-F139 PolarHBondContact O-N 3.1Å; E137-R140 PolarHBondContact O-N 2.97Å; E137-R140 IonicContact OE2-CZ 2.63Å; E137-R140 IonicContact OE2-NE 3.86Å; E137-R140 PolarHBondContact OE2-NE 3.35Å; E137-R140 IonicContact OE2-NH2 3.55Å; E137-R140 PolarHBondContact OE2-NH2 2.91Å; E137-M141 WeakPolarHBondContact O-CG 3.38Å; E137-M141 PolarHBondContact O-N 3.08Å
138Q82.1Confident83.5Confident3 Ų360.4 Ų60.41%0.01429%0.291CS..Hα-helixtrans-61.6-42.4172.7-66.6-69.6-20.700112A130 D135 I136 M141 V142A130-Q138 HydrophobicContact CB-CB 3.56Å; D135-Q138 HydrophobicContact CB-CB 3.99Å; D135-Q138 HydrophobicContact CB-CG 3.77Å; D135-Q138 WeakPolarHBondContact O-CB 3.36Å; D135-Q138 PolarHBondContact O-N 3.16Å; D135-Q138 PolarHBondContact OD1-N 2.67Å; D135-Q138 WeakPolarHBondContact OD2-CG 3.31Å; I136-Q138 VanDerWaalsContact C-N 3.35Å; Q138-M141 HydrophobicContact CB-CE 4.48Å; Q138-M141 HydrophobicContact CG-CE 4.2Å; Q138-M141 PolarHBondContact O-N 3.03Å; Q138-M141 VanDerWaalsContact OE1-CE 3.28Å; Q138-V142 WeakPolarHBondContact O-CG2 3.28Å; Q138-V142 PolarHBondContact O-N 3.35Å; Q138-V142 VanDerWaalsContact O-N 3.1Å
139F84.6Confident84.4Confident86 Ų8656.4 Ų56.438%0.37727%0.272SS..Hα-helixtrans-63-42.6176.6-175.9-99000112.1A130 D135 I136 E137 M141 V142 N143 I188A130-F139 HydrophobicContact CB-CB 4.24Å; D135-F139 PolarHBondContact O-N 3.16Å; D135-F139 VanDerWaalsContact O-N 3.09Å; I136-F139 WeakPolarHBondContact O-CB 3.27Å; I136-F139 PolarHBondContact O-N 2.94Å; E137-F139 VanDerWaalsContact C-N 3.33Å; E137-F139 PolarHBondContact O-N 3.1Å; F139-M141 PolarHBondContact O-N 3.44Å; F139-V142 PolarHBondContact O-N 3.1Å; F139-N143 VanDerWaalsContact CD1-ND2 3.34Å; F139-N143 WeakPolarHBondContact CD1-ND2 3.42Å; F139-N143 WeakPolarHBondContact CE1-ND2 3.25Å; F139-N143 PolarHBondContact O-N 2.79Å; F139-N143 VanDerWaalsContact O-N 3.11Å; F139-N143 PolarHBondContact O-ND2 3.06Å; F139-I188 HydrophobicContact CD2-CD1 4.36Å; F139-I188 HydrophobicContact CE2-CD1 3.65Å; F139-I188 HydrophobicContact CE2-CG1 3.89Å; F139-I188 HydrophobicContact CE2-CG2 3.95Å; F139-I188 HydrophobicContact CZ-CG1 4.41Å; F139-I188 HydrophobicContact CZ-CG2 4.21Å
140R85.3Confident85.5Confident116 Ų11651.7 Ų51.744%0.43825%0.253SS..Hα-helixtrans-59.5-44.5175.3-172.3177.167.989.6-3.4111.8I136 E137 V142 N143 E144I136-R140 PolarHBondContact O-N 3.27Å; E137-R140 PolarHBondContact O-N 2.97Å; E137-R140 IonicContact OE2-CZ 2.63Å; E137-R140 IonicContact OE2-NE 3.86Å; E137-R140 PolarHBondContact OE2-NE 3.35Å; E137-R140 IonicContact OE2-NH2 3.55Å; E137-R140 PolarHBondContact OE2-NH2 2.91Å; R140-V142 VanDerWaalsContact C-N 3.3Å; R140-V142 PolarHBondContact O-N 2.76Å; R140-N143 PolarHBondContact O-N 3.42Å; R140-E144 PolarHBondContact O-N 3.27Å
141M84Confident86.5Confident14 Ų1451.9 Ų51.97%0.06925%0.253CS..Hα-helixtrans-62.4-34.5176.7-74.2-171.3-71.500113.2E137 Q138 F139 A145 R436 N437E137-M141 WeakPolarHBondContact O-CG 3.38Å; E137-M141 PolarHBondContact O-N 3.08Å; Q138-M141 HydrophobicContact CB-CE 4.48Å; Q138-M141 HydrophobicContact CG-CE 4.2Å; Q138-M141 PolarHBondContact O-N 3.03Å; Q138-M141 VanDerWaalsContact OE1-CE 3.28Å; F139-M141 PolarHBondContact O-N 3.44Å; M141-A145 WeakPolarHBondContact O-CB 3.19Å; M141-A145 PolarHBondContact O-N 2.85Å; M141-R436 HydrophobicContact CE-CB 4.25Å; M141-R436 HydrophobicContact SD-CB 4.35Å; M141-N437 HydrophobicContact SD-CB 4.06Å
142V87Confident87.5Confident0 Ų048.3 Ų48.30%024%0.235CC..Hα-helixtrans-65.7-49.1175171.80000110.4L127 Q138 F139 R140 E144 A145 L146 I188L127-V142 HydrophobicContact CB-CG1 4.36Å; L127-V142 HydrophobicContact CB-CG2 4.06Å; Q138-V142 WeakPolarHBondContact O-CG2 3.28Å; Q138-V142 PolarHBondContact O-N 3.35Å; Q138-V142 VanDerWaalsContact O-N 3.1Å; F139-V142 PolarHBondContact O-N 3.1Å; R140-V142 VanDerWaalsContact C-N 3.3Å; R140-V142 PolarHBondContact O-N 2.76Å; V142-E144 VanDerWaalsContact C-N 3.32Å; V142-E144 PolarHBondContact O-N 3.18Å; V142-A145 PolarHBondContact O-N 3.46Å; V142-L146 HydrophobicContact CG1-CD1 3.58Å; V142-L146 HydrophobicContact CG1-CG 4.26Å; V142-L146 WeakPolarHBondContact O-CB 3.45Å; V142-L146 WeakPolarHBondContact O-CD1 3.01Å; V142-L146 WeakPolarHBondContact O-CG 3.48Å; V142-L146 PolarHBondContact O-N 3.32Å; V142-I188 HydrophobicContact CG1-CG2 4.31Å
143N88Confident88.4Confident49 Ų4942.6 Ų42.626%0.26221%0.21SC..Hα-helixtrans-60.8-40.6178.9-71.9-39.5000112.8F139 R140 L146 S147 I188F139-N143 VanDerWaalsContact CD1-ND2 3.34Å; F139-N143 WeakPolarHBondContact CD1-ND2 3.42Å; F139-N143 WeakPolarHBondContact CE1-ND2 3.25Å; F139-N143 PolarHBondContact O-N 2.79Å; F139-N143 VanDerWaalsContact O-N 3.11Å; F139-N143 PolarHBondContact O-ND2 3.06Å; R140-N143 PolarHBondContact O-N 3.42Å; N143-L146 PolarHBondContact O-N 3.16Å; N143-S147 WeakPolarHBondContact O-CB 3.2Å; N143-S147 PolarHBondContact O-N 3.29Å; N143-I188 VanDerWaalsContact OD1-CG2 3.23Å; N143-I188 WeakPolarHBondContact OD1-CG2 3.43Å
144E90.9Very high89.1Confident27 Ų2738.9 Ų38.913%0.12619%0.19CC..Hα-helixtrans-61.4-51.4174.8-170.7-173170.600110.8R140 V142 L146 S147 E148 T457 S460R140-E144 PolarHBondContact O-N 3.27Å; V142-E144 VanDerWaalsContact C-N 3.32Å; V142-E144 PolarHBondContact O-N 3.18Å; E144-L146 VanDerWaalsContact C-N 3.29Å; E144-L146 PolarHBondContact O-N 3.03Å; E144-S147 WeakPolarHBondContact O-CB 3.3Å; E144-S147 PolarHBondContact O-N 3.22Å; E144-E148 HydrophobicContact CG-CG 4.43Å; E144-E148 WeakPolarHBondContact O-CG 3.31Å; E144-E148 PolarHBondContact O-N 2.77Å; E144-T457 HydrophobicContact CG-CG2 4.34Å; E144-S460 VanDerWaalsContact OE1-CB 3.22Å; E144-S460 WeakPolarHBondContact OE1-CB 3.12Å; E144-S460 PolarHBondContact OE1-OG 2.84Å
145A92.4Very high89.9Confident1 Ų131.6 Ų31.61%0.00815%0.152CC..Hα-helixtrans-60.5-37.3179.500000112.8M141 V142 R149 T456 T457M141-A145 WeakPolarHBondContact O-CB 3.19Å; M141-A145 PolarHBondContact O-N 2.85Å; V142-A145 PolarHBondContact O-N 3.46Å; A145-R149 WeakPolarHBondContact O-CB 3.23Å; A145-R149 PolarHBondContact O-N 2.79Å; A145-T456 WeakPolarHBondContact O-CG2 3.32Å; A145-T457 HydrophobicContact CB-CG2 4.49Å
146L93.1Very high90.7Very high0 Ų029.7 Ų29.70%014%0.142CC..Hα-helixtrans-66-44.4175.7-70.9166.8000112V142 N143 E144 S150 Y185 I188 S189 Q192V142-L146 HydrophobicContact CG1-CD1 3.58Å; V142-L146 HydrophobicContact CG1-CG 4.26Å; V142-L146 WeakPolarHBondContact O-CB 3.45Å; V142-L146 WeakPolarHBondContact O-CD1 3.01Å; V142-L146 WeakPolarHBondContact O-CG 3.48Å; V142-L146 PolarHBondContact O-N 3.32Å; N143-L146 PolarHBondContact O-N 3.16Å; E144-L146 VanDerWaalsContact C-N 3.29Å; E144-L146 PolarHBondContact O-N 3.03Å; L146-S150 PolarHBondContact O-N 3.1Å; L146-Y185 HydrophobicContact CD1-CE2 4.45Å; L146-Y185 HydrophobicContact CD2-CE1 4.35Å; L146-Y185 HydrophobicContact CD2-CE2 3.84Å; L146-Y185 WeakPolarHBondContact CD2-OH 3.27Å; L146-I188 HydrophobicContact CD1-CG2 4.05Å; L146-S189 WeakPolarHBondContact CD2-OG 3.07Å; L146-Q192 VanDerWaalsContact CB-OE1 3.24Å
147S93.4Very high91.3Very high16 Ų1625.1 Ų25.111%0.11212%0.121CC..Hα-helixtrans-60.5-50.2175.4173.10000111N143 E144 S150 N151 Q192 K484N143-S147 WeakPolarHBondContact O-CB 3.2Å; N143-S147 PolarHBondContact O-N 3.29Å; E144-S147 WeakPolarHBondContact O-CB 3.3Å; E144-S147 PolarHBondContact O-N 3.22Å; S147-S150 PolarHBondContact O-N 3.42Å; S147-N151 WeakPolarHBondContact O-CB 3.27Å; S147-N151 PolarHBondContact O-N 2.92Å; S147-Q192 VanDerWaalsContact CA-CD 3.45Å; S147-K484 PolarHBondContact OG-NZ 3.08Å
148E96Very high92.1Very high5 Ų520.8 Ų20.82%0.02310%0.101CC..Hα-helixtrans-68.5-36-177.6-63.9-53.3134.800112.1E144 N151 L152 T456 T457 R459E144-E148 HydrophobicContact CG-CG 4.43Å; E144-E148 WeakPolarHBondContact O-CG 3.31Å; E144-E148 PolarHBondContact O-N 2.77Å; E148-N151 PolarHBondContact O-N 2.97Å; E148-L152 WeakPolarHBondContact O-CB 3.16Å; E148-L152 PolarHBondContact O-N 3.25Å; E148-T456 HydrophobicContact CB-CG2 4.19Å; E148-T456 VanDerWaalsContact CB-O 3.26Å; E148-T456 WeakPolarHBondContact CB-O 3.44Å; E148-T457 HydrophobicContact CG-CG2 4.36Å; E148-R459 VanDerWaalsContact CD-NE 3.32Å; E148-R459 IonicContact OE1-CZ 3.27Å; E148-R459 IonicContact OE1-NE 3.77Å; E148-R459 PolarHBondContact OE1-NE 3.06Å; E148-R459 VanDerWaalsContact OE1-NE 3.16Å; E148-R459 IonicContact OE1-NH2 3.67Å; E148-R459 PolarHBondContact OE1-NH2 3Å; E148-R459 WeakPolarHBondContact OE2-CD 3.36Å; E148-R459 IonicContact OE2-CZ 3.77Å; E148-R459 IonicContact OE2-NE 3.19Å; E148-R459 PolarHBondContact OE2-NE 3.33Å; E148-R459 IonicContact OE2-NH2 3.8Å
149R95.9Very high92.8Very high2 Ų220.8 Ų20.81%0.00810%0.101CC..Hα-helixtrans-60.5-48172.1179-171.570.9-175.1-0.8112.3I120 A145 N151 L152 I153 Y185 L194 Y224 D225 T456I120-R149 HydrophobicContact CB-CG 4.15Å; I120-R149 HydrophobicContact CG2-CB 3.8Å; I120-R149 HydrophobicContact CG2-CG 3.71Å; I120-R149 VanDerWaalsContact O-CD 3.22Å; I120-R149 WeakPolarHBondContact O-CD 3.35Å; I120-R149 WeakPolarHBondContact O-CG 3.41Å; A145-R149 WeakPolarHBondContact O-CB 3.23Å; A145-R149 PolarHBondContact O-N 2.79Å; R149-N151 VanDerWaalsContact C-N 3.32Å; R149-L152 PolarHBondContact O-N 2.85Å; R149-I153 HydrophobicContact CG-CD1 4.26Å; R149-I153 PolarHBondContact O-N 2.71Å; R149-Y185 PolarHBondContact NH1-OH 3.33Å; R149-L194 HydrophobicContact CG-CD1 4.44Å; R149-Y224 PolarHBondContact NH1-O 2.84Å; R149-D225 WeakPolarHBondContact CD-OD1 3.45Å; R149-D225 IonicContact CZ-OD1 2.67Å; R149-D225 IonicContact NE-OD1 3.48Å; R149-D225 IonicContact NH1-OD1 3.33Å; R149-D225 PolarHBondContact NH1-OD1 2.97Å; R149-T456 HydrophobicContact CB-CG2 4.08Å
150S94.4Very high93.4Very high11 Ų1116.7 Ų16.78%0.0778%0.083CC..Hα-helixtrans-61-46.8177.2-173.50000110.1R37 L146 S147 L152 I153 D154R37-S150 PolarHBondContact NE-OG 3.04Å; R37-S150 VanDerWaalsContact NE-OG 3.16Å; R37-S150 PolarHBondContact NH2-OG 3.3Å; R37-S150 VanDerWaalsContact NH2-OG 3.1Å; L146-S150 PolarHBondContact O-N 3.1Å; S147-S150 PolarHBondContact O-N 3.42Å; S150-L152 VanDerWaalsContact C-N 3.34Å; S150-L152 PolarHBondContact O-N 2.83Å; S150-I153 PolarHBondContact O-N 2.65Å; S150-D154 WeakPolarHBondContact O-CB 3.37Å; S150-D154 PolarHBondContact O-N 2.71Å; S150-D154 PolarHBondContact OG-OD2 2.78Å
151N95.3Very high93.9Very high12 Ų1215.7 Ų15.76%0.0648%0.08CC..Hα-helixtrans-57-46.6178.4179.976.8000111.9S147 E148 R149 I153 D154 I155 G485S147-N151 WeakPolarHBondContact O-CB 3.27Å; S147-N151 PolarHBondContact O-N 2.92Å; E148-N151 PolarHBondContact O-N 2.97Å; R149-N151 VanDerWaalsContact C-N 3.32Å; N151-I153 PolarHBondContact O-N 3.07Å; N151-D154 CarbonylContact O-C 3.54Å; N151-D154 PolarHBondContact O-N 3.39Å; N151-I155 WeakPolarHBondContact O-CG1 3.37Å; N151-I155 WeakPolarHBondContact O-CG2 3.28Å; N151-I155 PolarHBondContact O-N 3.02Å; N151-G485 PolarHBondContact OD1-N 3.44Å
152L96.2Very high94.4Very high0 Ų016.9 Ų16.90%09%0.089CC..Hα-helixtrans-56.4-46.7179.1-94.3167.5000113.3I120 E148 R149 S150 D154 I155 A156 M233 W455 T456 Y458I120-L152 HydrophobicContact CD1-CB 4.09Å; I120-L152 HydrophobicContact CD1-CD1 4.43Å; I120-L152 HydrophobicContact CG1-CD1 4.42Å; I120-L152 HydrophobicContact CG2-CB 4.38Å; I120-L152 HydrophobicContact CG2-CD1 3.55Å; E148-L152 WeakPolarHBondContact O-CB 3.16Å; E148-L152 PolarHBondContact O-N 3.25Å; R149-L152 PolarHBondContact O-N 2.85Å; S150-L152 VanDerWaalsContact C-N 3.34Å; S150-L152 PolarHBondContact O-N 2.83Å; L152-D154 VanDerWaalsContact C-N 3.27Å; L152-D154 PolarHBondContact O-N 3.14Å; L152-I155 HydrophobicContact CD2-CD1 4.42Å; L152-I155 WeakPolarHBondContact O-CG1 3.37Å; L152-A156 PolarHBondContact O-N 3.02Å; L152-M233 HydrophobicContact CD2-CE 4.28Å; L152-M233 HydrophobicContact CD2-CG 4.41Å; L152-M233 HydrophobicContact CD2-SD 4.33Å; L152-W455 HydrophobicContact CD1-CE3 4.16Å; L152-W455 HydrophobicContact CD1-CZ3 3.71Å; L152-W455 HydrophobicContact CD2-CH2 4.26Å; L152-W455 HydrophobicContact CD2-CZ3 3.76Å; L152-W455 HydrophobicContact CG-CZ3 4.4Å; L152-T456 WeakPolarHBondContact CD1-O 3.42Å; L152-Y458 HydrophobicContact CD1-CD1 4.42Å; L152-Y458 HydrophobicContact CD1-CE1 4.26Å; L152-Y458 HydrophobicContact CD2-CD1 4.37Å; L152-Y458 HydrophobicContact CD2-CE1 3.56Å; L152-Y458 HydrophobicContact CG-CE1 4.01Å
153I95.6Very high94.8Very high10 Ų1017.1 Ų17.15%0.0519%0.09CC..Hα-helixtrans-63-39175.9-69.7167.1000110.4I120 R149 S150 N151 P157 A160 P162 L194I120-I153 HydrophobicContact CD1-CG1 4.35Å; R149-I153 HydrophobicContact CG-CD1 4.26Å; R149-I153 PolarHBondContact O-N 2.71Å; S150-I153 PolarHBondContact O-N 2.65Å; N151-I153 PolarHBondContact O-N 3.07Å; I153-P157 VanDerWaalsContact O-CA 3.26Å; I153-P157 WeakPolarHBondContact O-CA 3.47Å; I153-A160 HydrophobicContact CG1-CB 4.04Å; I153-P162 HydrophobicContact CD1-CG 4.35Å; I153-L194 HydrophobicContact CD1-CD1 3.67Å; I153-L194 HydrophobicContact CD1-CD2 3.6Å; I153-L194 HydrophobicContact CD1-CG 4.3Å
154D93.6Very high95.2Very high31 Ų3115.7 Ų15.717%0.1668%0.084CC..Hα-helixtrans-75.6-33.1-175.8-61.4-25.3000112.4R37 L41 R44 S150 N151 L152R37-D154 IonicContact CZ-OD1 3.66Å; R37-D154 VanDerWaalsContact NH2-CG 3.35Å; R37-D154 IonicContact NH2-OD1 3.45Å; R37-D154 PolarHBondContact NH2-OD1 3.47Å; R37-D154 IonicContact NH2-OD2 2.82Å; R37-D154 PolarHBondContact NH2-OD2 3.06Å; L41-D154 HydrophobicContact CD2-CB 4.26Å; L41-D154 VanDerWaalsContact CD2-OD1 3.22Å; L41-D154 WeakPolarHBondContact CD2-OD1 3.49Å; R44-D154 PolarHBondContact NH1-O 3.27Å; S150-D154 WeakPolarHBondContact O-CB 3.37Å; S150-D154 PolarHBondContact O-N 2.71Å; S150-D154 PolarHBondContact OG-OD2 2.78Å; N151-D154 CarbonylContact O-C 3.54Å; N151-D154 PolarHBondContact O-N 3.39Å; L152-D154 VanDerWaalsContact C-N 3.27Å; L152-D154 PolarHBondContact O-N 3.14Å
155I96Very high95.4Very high1 Ų114.4 Ų14.41%0.0058%0.078CC..Hα-helixtrans-81.5-22-178.566.2175.3000114.2N151 L152 L486 L488 A491N151-I155 WeakPolarHBondContact O-CG1 3.37Å; N151-I155 WeakPolarHBondContact O-CG2 3.28Å; N151-I155 PolarHBondContact O-N 3.02Å; L152-I155 HydrophobicContact CD2-CD1 4.42Å; L152-I155 WeakPolarHBondContact O-CG1 3.37Å; I155-L486 WeakPolarHBondContact CB-O 3.2Å; I155-L486 WeakPolarHBondContact CG2-O 3.46Å; I155-L488 HydrophobicContact CB-CG 4.47Å; I155-L488 HydrophobicContact CD1-CD1 3.9Å; I155-L488 HydrophobicContact CD1-CD2 4.32Å; I155-L488 HydrophobicContact CD1-CG 3.93Å; I155-L488 HydrophobicContact CG1-CD1 4.2Å; I155-L488 HydrophobicContact CG1-CG 4.14Å; I155-L488 PolarHBondContact O-N 3.02Å; I155-A491 VanDerWaalsContact O-CB 3.3Å; I155-A491 WeakPolarHBondContact O-CB 3.35Å
156A96.9Very high95.5Very high0 Ų014.4 Ų14.40%08%0.078CC..  trans-144.866.5-179.600000111L152 H158 L159 A160 M233 L488L152-A156 PolarHBondContact O-N 3.02Å; A156-H158 PolarHBondContact O-N 2.83Å; A156-H158 VanDerWaalsContact O-N 3.09Å; A156-L159 HydrophobicContact CB-CB 4.28Å; A156-L159 HydrophobicContact CB-CD1 4.44Å; A156-L159 PolarHBondContact O-N 3.38Å; A156-A160 PolarHBondContact O-N 3.33Å; A156-M233 HydrophobicContact CB-CE 3.69Å; A156-M233 HydrophobicContact CB-SD 3.54Å; A156-M233 VanDerWaalsContact CB-SD 3.54Å; A156-L488 HydrophobicContact CB-CB 4.3Å; A156-L488 HydrophobicContact CB-CD1 4.06Å; A156-L488 HydrophobicContact CB-CG 4.44Å
157P95.5Very high95.5Very high41 Ų4114.8 Ų14.827%0.2668%0.079SC..THydrogen-bonded Turntrans-67.4-13.4-172.528.6-37.9000114.4I153 W494I153-P157 VanDerWaalsContact O-CA 3.26Å; I153-P157 WeakPolarHBondContact O-CA 3.47Å; P157-W494 HydrophobicContact CB-CE3 4.08Å; P157-W494 HydrophobicContact CB-CH2 4.31Å; P157-W494 HydrophobicContact CB-CZ3 3.66Å; P157-W494 HydrophobicContact CG-CE3 3.66Å; P157-W494 HydrophobicContact CG-CZ3 3.78Å
158H97Very high95.5Very high11 Ų1114.5 Ų14.55%0.0518%0.077CC..THydrogen-bonded Turntrans-80-31.1172.360.8-72.9000112.1A156 E489 G490 A491 W494 G518 G521A156-H158 PolarHBondContact O-N 2.83Å; A156-H158 VanDerWaalsContact O-N 3.09Å; H158-E489 PolarHBondContact CE1-O 2.74Å; H158-E489 VanDerWaalsContact CE1-O 3.32Å; H158-E489 PolarHBondContact NE2-O 2.97Å; H158-G490 VanDerWaalsContact CE1-C 3.45Å; H158-A491 PolarHBondContact CE1-N 2.68Å; H158-W494 HydrophobicContact CB-CD2 3.87Å; H158-W494 HydrophobicContact CB-CG 3.87Å; H158-W494 HydrophobicContact CB-CZ2 4.16Å; H158-G518 CarbonylContact C-O 3.57Å; H158-G518 VanDerWaalsContact C-O 3.26Å; H158-G518 PolarHBondContact CD2-O 3.31Å; H158-G521 PolarHBondContact CD2-N 2.91Å
159L97.8Very high95.5Very high3 Ų314.3 Ų14.32%0.0168%0.076CC..THydrogen-bonded Turntrans-98.5-23.8-178-61.9177.1000114A156 Q228 E229 R232 M233 S236 G518A156-L159 HydrophobicContact CB-CB 4.28Å; A156-L159 HydrophobicContact CB-CD1 4.44Å; A156-L159 PolarHBondContact O-N 3.38Å; L159-Q228 CarbonylContact O-C 3.39Å; L159-Q228 WeakPolarHBondContact O-CA 3.39Å; L159-E229 HydrophobicContact CD2-CB 4.3Å; L159-E229 PolarHBondContact O-N 2.83Å; L159-R232 HydrophobicContact CD1-CG 3.96Å; L159-R232 HydrophobicContact CD2-CB 3.99Å; L159-R232 HydrophobicContact CD2-CG 3.39Å; L159-R232 HydrophobicContact CG-CG 4.34Å; L159-M233 HydrophobicContact CB-CE 3.57Å; L159-M233 HydrophobicContact CB-SD 4.19Å; L159-M233 HydrophobicContact CD1-CB 4.33Å; L159-M233 HydrophobicContact CD1-SD 4.04Å; L159-S236 WeakPolarHBondContact CD1-OG 3.3Å; L159-G518 WeakPolarHBondContact CD2-O 3.33Å
160A97.2Very high95.3Very high1 Ų117 Ų171%0.0089%0.087CC..EExtended strand (participates in β ladder)trans-132.2134.7-17700000111.7I120 I153 A156 Q227 Q228 M233I120-A160 HydrophobicContact CD1-CB 3.53Å; I153-A160 HydrophobicContact CG1-CB 4.04Å; A156-A160 PolarHBondContact O-N 3.33Å; A160-Q227 VanDerWaalsContact CA-O 3.29Å; A160-Q227 WeakPolarHBondContact CA-O 3.43Å; A160-Q228 HydrophobicContact CB-CB 4.21Å; A160-M233 HydrophobicContact CB-CE 3.46Å; A160-M233 VanDerWaalsContact CB-CE 3.46Å
161Y94.9Very high95.3Very high94 Ų9422.2 Ų22.237%0.36911%0.108SC..EExtended strand (participates in β ladder)trans-150.7158.3-175.549.8-94.2000112.4L163 Q227Y161-L163 PolarHBondContact O-N 3.09Å; Y161-Q227 HydrophobicContact CD2-CB 4.42Å; Y161-Q227 HydrophobicContact CE2-CB 3.91Å; Y161-Q227 HydrophobicContact CE2-CG 4.38Å; Y161-Q227 VanDerWaalsContact CE2-OE1 3.23Å; Y161-Q227 PolarHBondContact N-O 3.38Å; Y161-Q227 PolarHBondContact O-N 2.93Å; Y161-Q227 PolarHBondContact OH-OE1 3.02Å
162P95.4Very high95.2Very high40 Ų4031 Ų3126%0.2614%0.141SC..EExtended strand (participates in β ladder)trans-64.9131.3172.9-21.833.8000112.5I153 L194 Y224 D225I153-P162 HydrophobicContact CD1-CG 4.35Å; P162-L194 HydrophobicContact CB-CB 4.1Å; P162-L194 HydrophobicContact CB-CD1 4.03Å; P162-L194 HydrophobicContact CG-CB 4.19Å; P162-L194 HydrophobicContact CG-CD1 4.27Å; P162-L194 HydrophobicContact CG-CD2 4.44Å; P162-Y224 HydrophobicContact CB-CD1 4.32Å; P162-D225 CarbonylContact C-O 3.58Å; P162-D225 WeakPolarHBondContact CA-O 3.27Å
163L95.6Very high95Very high5 Ų538.4 Ų38.43%0.02617%0.169CC..EExtended strand (participates in β ladder)trans-115.9121.2174.5179.970.6000109.8L119 Y161 I165 Y224 D225 Q227 L362 P363L119-L163 HydrophobicContact CD2-CD2 3.95Å; Y161-L163 PolarHBondContact O-N 3.09Å; L163-I165 HydrophobicContact CD2-CG1 4.22Å; L163-I165 HydrophobicContact CG-CG1 4.28Å; L163-Y224 WeakPolarHBondContact O-CA 3.31Å; L163-D225 PolarHBondContact N-O 3.09Å; L163-D225 PolarHBondContact O-N 2.86Å; L163-Q227 HydrophobicContact CB-CB 3.91Å; L163-Q227 HydrophobicContact CD2-CB 4.07Å; L163-Q227 HydrophobicContact CD2-CG 4.4Å; L163-L362 HydrophobicContact CD2-CD2 3.87Å; L163-P363 HydrophobicContact CD1-CG 3.86Å
164P96.1Very high94.8Very high19 Ų1939.1 Ų39.112%0.12317%0.172CC..EExtended strand (participates in β ladder)trans-70.9133.8168.326-28.5000110.1V222 Y223 Y224 K345 M346 G347P164-V222 HydrophobicContact CB-CG1 3.65Å; P164-Y223 CarbonylContact C-O 3.26Å; P164-Y223 WeakPolarHBondContact CA-O 3.47Å; P164-Y224 HydrophobicContact CB-CD1 3.96Å; P164-Y224 HydrophobicContact CB-CE1 3.5Å; P164-Y224 HydrophobicContact CG-CE1 3.93Å; P164-K345 WeakPolarHBondContact CD-O 3.44Å; P164-K345 WeakPolarHBondContact CG-O 3.48Å; P164-M346 HydrophobicContact CB-CE 4.03Å; P164-M346 HydrophobicContact CB-CG 4.42Å; P164-M346 HydrophobicContact CG-CB 4.1Å; P164-M346 HydrophobicContact CG-CE 4.33Å; P164-M346 HydrophobicContact CG-CG 4.44Å; P164-M346 CarbonylContact O-C 3.58Å; P164-M346 WeakPolarHBondContact O-CA 3.29Å; P164-G347 PolarHBondContact O-N 2.86Å
165I94.8Very high94.7Very high0 Ų038.9 Ų38.90%017%0.172CC..EExtended strand (participates in β ladder)trans-122.8120.5177.6-58.2175.4000108.1L119 L163 V222 Y223 D225 G347 L349 F360 L362L119-I165 HydrophobicContact CD1-CD1 4.43Å; L119-I165 HydrophobicContact CD2-CD1 4.13Å; L163-I165 HydrophobicContact CD2-CG1 4.22Å; L163-I165 HydrophobicContact CG-CG1 4.28Å; I165-V222 WeakPolarHBondContact O-CA 3.42Å; I165-Y223 HydrophobicContact CB-CD1 4.19Å; I165-Y223 HydrophobicContact CB-CE1 3.67Å; I165-Y223 HydrophobicContact CD1-CE2 4.4Å; I165-Y223 HydrophobicContact CG2-CE1 3.71Å; I165-Y223 PolarHBondContact N-O 2.8Å; I165-Y223 WeakPolarHBondContact O-CD1 3.4Å; I165-Y223 PolarHBondContact O-N 3.19Å; I165-Y223 VanDerWaalsContact O-N 3.11Å; I165-D225 HydrophobicContact CD1-CB 3.91Å; I165-G347 CarbonylContact C-O 3.44Å; I165-G347 WeakPolarHBondContact CA-O 3.37Å; I165-L349 HydrophobicContact CG2-CB 3.75Å; I165-F360 HydrophobicContact CD1-CE1 4.36Å; I165-L362 HydrophobicContact CD1-CD2 4.47Å
166M94.8Very high94.5Very high1 Ų142.9 Ų42.91%0.00520%0.197CC..EExtended strand (participates in β ladder)trans-90.7130.7178.6-175.5174.264.300111L200 A205 F209 L212 L221 V222 M346 G347 L348 L349M166-L200 HydrophobicContact SD-CD1 4.23Å; M166-A205 HydrophobicContact SD-CB 4.15Å; M166-F209 HydrophobicContact CE-CB 3.89Å; M166-F209 HydrophobicContact CE-CD1 4.06Å; M166-F209 HydrophobicContact CE-CG 4.48Å; M166-L212 HydrophobicContact CE-CD2 4.04Å; M166-L221 CarbonylContact C-O 3.49Å; M166-L221 WeakPolarHBondContact CA-O 3.18Å; M166-V222 HydrophobicContact CB-CG2 4.12Å; M166-V222 HydrophobicContact CG-CG2 4.19Å; M166-M346 HydrophobicContact CB-CG 4.16Å; M166-M346 HydrophobicContact CB-SD 3.75Å; M166-M346 HydrophobicContact SD-SD 4.31Å; M166-G347 PolarHBondContact N-O 3.36Å; M166-L348 HydrophobicContact CE-CD1 4.1Å; M166-L348 WeakPolarHBondContact O-CA 3.48Å; M166-L349 PolarHBondContact O-N 3.05Å
167L93.6Very high94.1Very high7 Ų747.2 Ų47.24%0.03721%0.214CC..EExtended strand (participates in β ladder)trans-100.8108.6165.7174.266.5000108.6Y178 G220 L221 L349 P351L167-Y178 HydrophobicContact CD2-CD1 3.78Å; L167-Y178 HydrophobicContact CD2-CD2 3.68Å; L167-Y178 HydrophobicContact CD2-CE1 4.05Å; L167-Y178 HydrophobicContact CD2-CE2 3.96Å; L167-Y178 HydrophobicContact CD2-CG 3.6Å; L167-G220 CarbonylContact O-C 3.5Å; L167-G220 WeakPolarHBondContact O-CA 3.41Å; L167-L221 HydrophobicContact CB-CB 4.46Å; L167-L221 PolarHBondContact N-O 2.8Å; L167-L221 PolarHBondContact O-N 3.07Å; L167-L349 HydrophobicContact CD1-CD2 4.44Å; L167-P351 HydrophobicContact CD1-CB 4.5Å; L167-P351 HydrophobicContact CD1-CG 3.63Å
168P93.9Very high93.8Very high10 Ų1046.8 Ų46.87%0.06521%0.208CC..EExtended strand (participates in β ladder)trans-70.8140.1174.331.2-35.9000110.9Y170 L212 L217 L348 Y400P168-Y170 HydrophobicContact CB-CE2 3.89Å; P168-Y170 HydrophobicContact CG-CE2 4.17Å; P168-L212 HydrophobicContact CB-CD1 4.08Å; P168-L212 HydrophobicContact CB-CD2 3.99Å; P168-L212 HydrophobicContact CG-CD1 4.32Å; P168-L217 HydrophobicContact CB-CD1 4.1Å; P168-L348 HydrophobicContact CG-CD1 4.18Å; P168-L348 HydrophobicContact CG-CD2 4.32Å; P168-L348 HydrophobicContact CG-CG 4.4Å; P168-Y400 HydrophobicContact CG-CD1 4.13Å; P168-Y400 HydrophobicContact CG-CE1 3.82Å
169I94.1Very high93.4Very high1 Ų149.7 Ų49.71%0.00522%0.218CC..EExtended strand (participates in β ladder)trans-121.3125.5-175.7-60.4172.3000110K171 Q174 V175 Y178 V218 G219 L221I169-K171 WeakPolarHBondContact CG2-O 3.3Å; I169-Q174 HydrophobicContact CG2-CB 3.66Å; I169-V175 HydrophobicContact CB-CG2 4.47Å; I169-V175 HydrophobicContact CD1-CG2 4.17Å; I169-V175 HydrophobicContact CG2-CG2 3.75Å; I169-Y178 HydrophobicContact CD1-CD2 4.15Å; I169-Y178 HydrophobicContact CG1-CD2 4.16Å; I169-V218 WeakPolarHBondContact O-CB 3.33Å; I169-V218 PolarHBondContact O-N 3.06Å; I169-G219 PolarHBondContact N-O 3.41Å; I169-G219 PolarHBondContact O-N 3.26Å; I169-L221 HydrophobicContact CD1-CB 4.02Å
170Y93Very high92.9Very high58 Ų5851.9 Ų51.923%0.22724%0.237CC..  trans-112.6-5.1-175.7-65.6-89.3000114P168 K213 D215 K216 L217 Y400P168-Y170 HydrophobicContact CB-CE2 3.89Å; P168-Y170 HydrophobicContact CG-CE2 4.17Å; Y170-K213 HydrophobicContact CE1-CB 4.48Å; Y170-K213 PolarHBondContact OH-O 2.9Å; Y170-D215 VanDerWaalsContact CD1-O 3.31Å; Y170-D215 WeakPolarHBondContact CD1-O 3.35Å; Y170-D215 WeakPolarHBondContact CE1-O 3.25Å; Y170-K216 CarbonylContact C-O 3.5Å; Y170-K216 WeakPolarHBondContact CA-O 3.32Å; Y170-K216 HydrophobicContact CD1-CB 4.23Å; Y170-K216 VanDerWaalsContact O-O 3.14Å; Y170-L217 HydrophobicContact CD1-CB 4.23Å; Y170-L217 HydrophobicContact CD1-CD1 4.48Å; Y170-L217 HydrophobicContact CE1-CB 3.99Å; Y170-L217 HydrophobicContact CE1-CD1 4.09Å; Y170-Y400 HydrophobicContact CE2-CE1 4.33Å
171K93.5Very high92.4Very high121 Ų12153.4 Ų53.453%0.52625%0.253SS..SBendtrans-129.3132.8176-57.1178.2-177.7174.80110.2I169 W173 Q174I169-K171 WeakPolarHBondContact CG2-O 3.3Å; K171-W173 VanDerWaalsContact C-N 3.3Å; K171-W173 HydrophobicContact CD-CZ2 4.35Å; K171-W173 PolarHBondContact O-N 3.19Å; K171-Q174 HydrophobicContact CB-CG 4.04Å; K171-Q174 VanDerWaalsContact N-OE1 3.13Å; K171-Q174 VanDerWaalsContact O-CB 3.29Å; K171-Q174 WeakPolarHBondContact O-CB 3.47Å; K171-Q174 PolarHBondContact O-N 3.44Å
172W92.8Very high92.1Very high198 Ų19849.6 Ų49.675%0.7524%0.239SC*.THydrogen-bonded Turntrans-56.9-37.9-176.3-8099.7000114.5Q174 V175 P176 V218W172-Q174 PolarHBondContact O-N 2.78Å; W172-V175 PolarHBondContact O-N 2.85Å; W172-P176 VanDerWaalsContact O-CD 3.29Å; W172-P176 WeakPolarHBondContact O-CD 3.29Å; W172-V218 HydrophobicContact CD2-CG1 3.65Å; W172-V218 HydrophobicContact CD2-CG2 4.26Å; W172-V218 HydrophobicContact CE3-CG1 3.64Å; W172-V218 HydrophobicContact CG-CG1 4.33Å; W172-V218 HydrophobicContact CG-CG2 4.2Å; W172-V218 HydrophobicContact CH2-CG1 3.92Å; W172-V218 HydrophobicContact CZ2-CG1 3.93Å; W172-V218 HydrophobicContact CZ3-CG1 3.78Å
173W92Very high91.8Very high155 Ų15547.7 Ų47.759%0.58723%0.226SC*.THydrogen-bonded Turntrans-66.1-23.417970.5-99.8000113.2K171 V175 P176 Y177K171-W173 VanDerWaalsContact C-N 3.3Å; K171-W173 HydrophobicContact CD-CZ2 4.35Å; K171-W173 PolarHBondContact O-N 3.19Å; W173-V175 VanDerWaalsContact C-N 3.29Å; W173-V175 PolarHBondContact O-N 3.47Å; W173-P176 WeakPolarHBondContact O-CD 3.46Å; W173-P176 WeakPolarHBondContact O-CG 3.44Å; W173-Y177 HydrophobicContact CZ3-CG 4.46Å
174Q91.5Very high91.4Very high24 Ų2451.1 Ų51.111%0.11224%0.243CC..Hα-helixtrans-71.8-26178.5-70.7175.2-46.500111.9I169 K171 W172 Y177 Y178I169-Q174 HydrophobicContact CG2-CB 3.66Å; K171-Q174 HydrophobicContact CB-CG 4.04Å; K171-Q174 VanDerWaalsContact N-OE1 3.13Å; K171-Q174 VanDerWaalsContact O-CB 3.29Å; K171-Q174 WeakPolarHBondContact O-CB 3.47Å; K171-Q174 PolarHBondContact O-N 3.44Å; W172-Q174 PolarHBondContact O-N 2.78Å; Q174-Y177 PolarHBondContact O-N 3.16Å; Q174-Y178 HydrophobicContact CB-CD2 3.75Å; Q174-Y178 HydrophobicContact CB-CE2 3.64Å; Q174-Y178 HydrophobicContact CG-CE2 3.95Å; Q174-Y178 WeakPolarHBondContact O-CB 3.17Å; Q174-Y178 WeakPolarHBondContact O-CD2 3.02Å; Q174-Y178 PolarHBondContact O-N 3.32Å
175V92.5Very high91Very high27 Ų2750.3 Ų50.316%0.16424%0.238CC..Hα-helixtrans-58-60.3179.4179.70000111.6I169 W172 W173 Y177 W179 Y199 V218I169-V175 HydrophobicContact CB-CG2 4.47Å; I169-V175 HydrophobicContact CD1-CG2 4.17Å; I169-V175 HydrophobicContact CG2-CG2 3.75Å; W172-V175 PolarHBondContact O-N 2.85Å; W173-V175 VanDerWaalsContact C-N 3.29Å; W173-V175 PolarHBondContact O-N 3.47Å; V175-Y177 VanDerWaalsContact C-N 3.27Å; V175-Y177 PolarHBondContact O-N 3.29Å; V175-W179 WeakPolarHBondContact O-CB 3.44Å; V175-W179 PolarHBondContact O-N 3.08Å; V175-Y199 HydrophobicContact CG1-CD2 4.24Å; V175-Y199 HydrophobicContact CG1-CE2 3.81Å; V175-Y199 HydrophobicContact CG2-CE2 4.22Å; V175-V218 HydrophobicContact CG2-CG1 3.87Å
176P91.5Very high90.9Very high84 Ų8450.4 Ų50.455%0.54524%0.238SC..Hα-helixtrans-63.2-33.517925.1-34.7000112.8W172 W173 A180W172-P176 VanDerWaalsContact O-CD 3.29Å; W172-P176 WeakPolarHBondContact O-CD 3.29Å; W173-P176 WeakPolarHBondContact O-CD 3.46Å; W173-P176 WeakPolarHBondContact O-CG 3.44Å; P176-A180 WeakPolarHBondContact O-CB 3.48Å; P176-A180 PolarHBondContact O-N 3.28Å
177Y88.2Confident90.6Very high92 Ų9252.1 Ų52.136%0.36125%0.247SC..Hα-helixtrans-63.2-56.5178.5176.7-98.5000112.3Q128 F132 W173 Q174 V175 W179 A180 G181Q128-Y177 PolarHBondContact NE2-OH 3.49Å; F132-Y177 WeakPolarHBondContact CE2-OH 3.35Å; F132-Y177 AromaticContact CZ-CE2 3.93Å; F132-Y177 HydrophobicContact CZ-CE2 3.93Å; F132-Y177 WeakPolarHBondContact CZ-OH 3.39Å; W173-Y177 HydrophobicContact CZ3-CG 4.46Å; Q174-Y177 PolarHBondContact O-N 3.16Å; V175-Y177 VanDerWaalsContact C-N 3.27Å; V175-Y177 PolarHBondContact O-N 3.29Å; Y177-W179 VanDerWaalsContact C-N 3.34Å; Y177-A180 PolarHBondContact O-N 3.2Å; Y177-G181 PolarHBondContact O-N 3.19Å
178Y88.7Confident90.3Very high31 Ų3153.3 Ų53.312%0.12225%0.253CS..Hα-helixtrans-68-36.3179.2-68.2-53.2000111.7L167 I169 Q174 A180 G181 I182 L221 H352L167-Y178 HydrophobicContact CD2-CD1 3.78Å; L167-Y178 HydrophobicContact CD2-CD2 3.68Å; L167-Y178 HydrophobicContact CD2-CE1 4.05Å; L167-Y178 HydrophobicContact CD2-CE2 3.96Å; L167-Y178 HydrophobicContact CD2-CG 3.6Å; I169-Y178 HydrophobicContact CD1-CD2 4.15Å; I169-Y178 HydrophobicContact CG1-CD2 4.16Å; Q174-Y178 HydrophobicContact CB-CD2 3.75Å; Q174-Y178 HydrophobicContact CB-CE2 3.64Å; Q174-Y178 HydrophobicContact CG-CE2 3.95Å; Q174-Y178 WeakPolarHBondContact O-CB 3.17Å; Q174-Y178 WeakPolarHBondContact O-CD2 3.02Å; Q174-Y178 PolarHBondContact O-N 3.32Å; Y178-A180 PolarHBondContact O-N 3.41Å; Y178-G181 PolarHBondContact O-N 3.28Å; Y178-I182 WeakPolarHBondContact O-CG1 3.2Å; Y178-I182 PolarHBondContact O-N 2.64Å; Y178-L221 VanDerWaalsContact C-CD2 3.49Å; Y178-L221 WeakPolarHBondContact O-CD2 3.46Å; Y178-H352 PolarHBondContact OH-NE2 3.1Å
179W90.3Very high90Very high72 Ų7252.9 Ų52.927%0.27325%0.251SS..Hα-helixtrans-56.5-49.5175.2-177.5-108.2000112E27 V175 Y177 G181 I182 K183 L221E27-W179 WeakPolarHBondContact OE1-CH2 3.31Å; E27-W179 WeakPolarHBondContact OE1-CZ2 3.12Å; V175-W179 WeakPolarHBondContact O-CB 3.44Å; V175-W179 PolarHBondContact O-N 3.08Å; Y177-W179 VanDerWaalsContact C-N 3.34Å; W179-G181 VanDerWaalsContact C-N 3.34Å; W179-G181 PolarHBondContact O-N 3.01Å; W179-I182 PolarHBondContact O-N 2.74Å; W179-K183 HydrophobicContact CD2-CG 4.06Å; W179-K183 HydrophobicContact CG-CG 4.42Å; W179-K183 HydrophobicContact CZ2-CD 4.31Å; W179-K183 HydrophobicContact CZ2-CG 4.25Å; W179-K183 VanDerWaalsContact O-CB 3.32Å; W179-K183 WeakPolarHBondContact O-CB 3.44Å; W179-K183 VanDerWaalsContact O-CG 3.28Å; W179-K183 WeakPolarHBondContact O-CG 3.46Å; W179-K183 PolarHBondContact O-N 2.85Å; W179-L221 HydrophobicContact CE3-CD1 3.41Å; W179-L221 VanDerWaalsContact CE3-CD1 3.41Å; W179-L221 HydrophobicContact CZ3-CD1 3.68Å
180A86.7Confident89.7Confident49 Ų4953.8 Ų53.841%0.40526%0.26SS..Hα-helixtrans-59.9-44177.700000111.9P176 Y177 Y178 M184P176-A180 WeakPolarHBondContact O-CB 3.48Å; P176-A180 PolarHBondContact O-N 3.28Å; Y177-A180 PolarHBondContact O-N 3.2Å; Y178-A180 PolarHBondContact O-N 3.41Å; A180-M184 WeakPolarHBondContact O-CB 3.33Å; A180-M184 PolarHBondContact O-N 2.86Å
181G85.9Confident89.4Confident34 Ų3454.8 Ų54.835%0.35128%0.281SS..Hα-helixtrans-62.8-45.6179.200000113.5Y177 Y178 W179 M184 Y185Y177-G181 PolarHBondContact O-N 3.19Å; Y178-G181 PolarHBondContact O-N 3.28Å; W179-G181 VanDerWaalsContact C-N 3.34Å; W179-G181 PolarHBondContact O-N 3.01Å; G181-M184 WeakPolarHBondContact O-CB 3.14Å; G181-M184 PolarHBondContact O-N 2.92Å; G181-Y185 PolarHBondContact O-N 2.81Å; G181-Y185 VanDerWaalsContact O-N 3.08Å
182I88.6Confident89.3Confident13 Ų1351.7 Ų51.77%0.06727%0.268CS..Hα-helixtrans-75-34.5-179.3-61.7-161000111.7Y178 W179 M184 Y185 D186 S197 L221 Y223Y178-I182 WeakPolarHBondContact O-CG1 3.2Å; Y178-I182 PolarHBondContact O-N 2.64Å; W179-I182 PolarHBondContact O-N 2.74Å; I182-M184 VanDerWaalsContact C-N 3.32Å; I182-M184 PolarHBondContact O-N 3.09Å; I182-Y185 WeakPolarHBondContact O-CA 2.85Å; I182-Y185 WeakPolarHBondContact O-CB 3.47Å; I182-Y185 PolarHBondContact O-N 2.71Å; I182-Y185 VanDerWaalsContact O-N 3.1Å; I182-D186 PolarHBondContact O-N 3.5Å; I182-S197 WeakPolarHBondContact CG2-OG 3.3Å; I182-L221 HydrophobicContact CB-CD2 3.99Å; I182-L221 HydrophobicContact CD1-CD2 3.29Å; I182-L221 HydrophobicContact CD1-CG 3.7Å; I182-L221 HydrophobicContact CG1-CD2 3.65Å; I182-L221 HydrophobicContact CG1-CG 4.45Å; I182-Y223 HydrophobicContact CD1-CD1 3.94Å; I182-Y223 HydrophobicContact CD1-CG 4.19Å
183K90Very high89.2Confident0 Ų042.4 Ų42.40%023%0.233CC..Hα-helixtrans-68-34.9173.7-71.6-62.1-174.2178.20112.6M26 E27 W179 Y185 D186 L187 S197M26-K183 HydrophobicContact CB-CB 4.46Å; M26-K183 HydrophobicContact CE-CB 3.16Å; M26-K183 HydrophobicContact CE-CG 4.13Å; M26-K183 WeakPolarHBondContact O-CD 3.37Å; M26-K183 HydrophobicContact SD-CB 3.73Å; E27-K183 WeakPolarHBondContact OE1-CE 3.27Å; E27-K183 IonicContact OE1-NZ 2.71Å; E27-K183 PolarHBondContact OE1-NZ 2.76Å; E27-K183 IonicContact OE2-NZ 3.59Å; W179-K183 HydrophobicContact CD2-CG 4.06Å; W179-K183 HydrophobicContact CG-CG 4.42Å; W179-K183 HydrophobicContact CZ2-CD 4.31Å; W179-K183 HydrophobicContact CZ2-CG 4.25Å; W179-K183 VanDerWaalsContact O-CB 3.32Å; W179-K183 WeakPolarHBondContact O-CB 3.44Å; W179-K183 VanDerWaalsContact O-CG 3.28Å; W179-K183 WeakPolarHBondContact O-CG 3.46Å; W179-K183 PolarHBondContact O-N 2.85Å; K183-Y185 VanDerWaalsContact C-N 3.27Å; K183-Y185 PolarHBondContact O-N 2.98Å; K183-D186 PolarHBondContact O-N 2.65Å; K183-L187 WeakPolarHBondContact O-CG 3.26Å; K183-L187 PolarHBondContact O-N 3.19Å; K183-S197 WeakPolarHBondContact CD-OG 3.27Å; K183-S197 WeakPolarHBondContact CE-OG 3.48Å; K183-S197 PolarHBondContact NZ-O 3.5Å
184M86.8Confident89.2Confident77 Ų7735.3 Ų35.338%0.37921%0.206SC..Hα-helixtrans-60.2-40.9168.4-172.16373.600111.3L127 I131 A180 G181 I182 L187 I188L127-M184 HydrophobicContact CD2-CG 4.46Å; I131-M184 HydrophobicContact CD1-CB 4.42Å; I131-M184 HydrophobicContact CD1-CG 3.73Å; A180-M184 WeakPolarHBondContact O-CB 3.33Å; A180-M184 PolarHBondContact O-N 2.86Å; G181-M184 WeakPolarHBondContact O-CB 3.14Å; G181-M184 PolarHBondContact O-N 2.92Å; I182-M184 VanDerWaalsContact C-N 3.32Å; I182-M184 PolarHBondContact O-N 3.09Å; M184-L187 PolarHBondContact O-N 2.84Å; M184-I188 HydrophobicContact CG-CD1 3.73Å; M184-I188 WeakPolarHBondContact O-CD1 3.39Å; M184-I188 VanDerWaalsContact O-CG1 3.31Å; M184-I188 WeakPolarHBondContact O-CG1 3.06Å; M184-I188 PolarHBondContact O-N 2.85Å; M184-I188 HydrophobicContact SD-CD1 4.16Å; M184-I188 HydrophobicContact SD-CG1 4.49Å
185Y88.9Confident89.2Confident2 Ų238.3 Ų38.31%0.00822%0.219CC..Hα-helixtrans-60.4-43.6174.7-177-102.7000112.9G122 V124 L127 L146 R149 G181 I182 K183 L187 I188 S189 Y223G122-Y185 VanDerWaalsContact CA-OH 3.29Å; G122-Y185 WeakPolarHBondContact CA-OH 3.43Å; G122-Y185 WeakPolarHBondContact O-CE2 3.5Å; G122-Y185 PolarHBondContact O-OH 3.46Å; V124-Y185 HydrophobicContact CB-CD2 4.23Å; V124-Y185 HydrophobicContact CB-CE2 4.12Å; V124-Y185 HydrophobicContact CG2-CD2 4.02Å; V124-Y185 HydrophobicContact CG2-CE2 4.38Å; V124-Y185 HydrophobicContact CG2-CG 4.13Å; L127-Y185 VanDerWaalsContact CD2-CA 3.45Å; L127-Y185 HydrophobicContact CD2-CD2 3.76Å; L127-Y185 HydrophobicContact CD2-CG 4.21Å; L146-Y185 HydrophobicContact CD1-CE2 4.45Å; L146-Y185 HydrophobicContact CD2-CE1 4.35Å; L146-Y185 HydrophobicContact CD2-CE2 3.84Å; L146-Y185 WeakPolarHBondContact CD2-OH 3.27Å; R149-Y185 PolarHBondContact NH1-OH 3.33Å; G181-Y185 PolarHBondContact O-N 2.81Å; G181-Y185 VanDerWaalsContact O-N 3.08Å; I182-Y185 WeakPolarHBondContact O-CA 2.85Å; I182-Y185 WeakPolarHBondContact O-CB 3.47Å; I182-Y185 PolarHBondContact O-N 2.71Å; I182-Y185 VanDerWaalsContact O-N 3.1Å; K183-Y185 VanDerWaalsContact C-N 3.27Å; K183-Y185 PolarHBondContact O-N 2.98Å; Y185-L187 VanDerWaalsContact C-N 3.34Å; Y185-L187 PolarHBondContact O-N 3.27Å; Y185-I188 PolarHBondContact O-N 2.82Å; Y185-S189 WeakPolarHBondContact O-CB 3.46Å; Y185-S189 PolarHBondContact O-N 2.66Å; Y185-S189 PolarHBondContact O-OG 2.58Å; Y185-Y223 HydrophobicContact CE1-CD2 4.48Å
186D91Very high89.2Confident3 Ų337.6 Ų37.62%0.01622%0.216CC..Hα-helixtrans-61-41.8174.6-75.2-4.9000112.2P30 I182 K183 S189 I193 S197P30-D186 HydrophobicContact CB-CB 3.96Å; P30-D186 HydrophobicContact CG-CB 3.78Å; I182-D186 PolarHBondContact O-N 3.5Å; K183-D186 PolarHBondContact O-N 2.65Å; D186-S189 WeakPolarHBondContact O-CB 3.49Å; D186-S189 PolarHBondContact O-N 3.13Å; D186-I193 HydrophobicContact CB-CD1 3.98Å; D186-S197 WeakPolarHBondContact OD2-CB 3.48Å; D186-S197 PolarHBondContact OD2-N 3.07Å; D186-S197 PolarHBondContact OD2-OG 2.97Å
187L88.4Confident89.3Confident37 Ų3733.7 Ų33.719%0.19419%0.19CC..Hα-helixtrans-65.7-46.3178.6-71.1176.5000112.3L25 M26 V29 P30 K183 M184 Y185 S189 G190L25-L187 HydrophobicContact CD1-CD2 4.19Å; L25-L187 HydrophobicContact CD2-CD1 4.33Å; L25-L187 HydrophobicContact CG-CD1 4.03Å; L25-L187 HydrophobicContact CG-CD2 4.18Å; L25-L187 VanDerWaalsContact O-CD2 3.31Å; L25-L187 WeakPolarHBondContact O-CD2 3.18Å; M26-L187 HydrophobicContact SD-CD1 3.43Å; M26-L187 WeakPolarHBondContact SD-CD1 3.34Å; M26-L187 HydrophobicContact SD-CG 4.33Å; V29-L187 HydrophobicContact CB-CD2 4.18Å; V29-L187 HydrophobicContact CG1-CD2 4.22Å; P30-L187 HydrophobicContact CG-CD2 4.14Å; K183-L187 WeakPolarHBondContact O-CG 3.26Å; K183-L187 PolarHBondContact O-N 3.19Å; M184-L187 PolarHBondContact O-N 2.84Å; Y185-L187 VanDerWaalsContact C-N 3.34Å; Y185-L187 PolarHBondContact O-N 3.27Å; L187-S189 VanDerWaalsContact C-N 3.27Å; L187-S189 PolarHBondContact O-N 3.13Å; L187-G190 PolarHBondContact O-N 2.85Å; L187-G190 VanDerWaalsContact O-N 3.08Å
188I87.6Confident89.6Confident31 Ų3132.2 Ų32.216%0.15919%0.185CC..Hα-helixtrans-66.3-33.8179.4-68.6164.3000110.9L127 F139 V142 N143 L146 M184 Y185 G190L127-I188 HydrophobicContact CD1-CD1 3.24Å; L127-I188 HydrophobicContact CD2-CD1 3.86Å; L127-I188 HydrophobicContact CG-CD1 4.19Å; F139-I188 HydrophobicContact CD2-CD1 4.36Å; F139-I188 HydrophobicContact CE2-CD1 3.65Å; F139-I188 HydrophobicContact CE2-CG1 3.89Å; F139-I188 HydrophobicContact CE2-CG2 3.95Å; F139-I188 HydrophobicContact CZ-CG1 4.41Å; F139-I188 HydrophobicContact CZ-CG2 4.21Å; V142-I188 HydrophobicContact CG1-CG2 4.31Å; N143-I188 VanDerWaalsContact OD1-CG2 3.23Å; N143-I188 WeakPolarHBondContact OD1-CG2 3.43Å; L146-I188 HydrophobicContact CD1-CG2 4.05Å; M184-I188 HydrophobicContact CG-CD1 3.73Å; M184-I188 WeakPolarHBondContact O-CD1 3.39Å; M184-I188 VanDerWaalsContact O-CG1 3.31Å; M184-I188 WeakPolarHBondContact O-CG1 3.06Å; M184-I188 PolarHBondContact O-N 2.85Å; M184-I188 HydrophobicContact SD-CD1 4.16Å; M184-I188 HydrophobicContact SD-CG1 4.49Å; Y185-I188 PolarHBondContact O-N 2.82Å; I188-G190 PolarHBondContact O-N 2.7Å; I188-G190 VanDerWaalsContact O-N 3.14Å
189S87.5Confident89.9Confident2 Ų234.1 Ų34.11%0.01419%0.192CC..Hα-helixtrans-56.8-27.9172.7-60.90000112.7L146 Y185 D186 L187 A191 Q192 I193L146-S189 WeakPolarHBondContact CD2-OG 3.07Å; Y185-S189 WeakPolarHBondContact O-CB 3.46Å; Y185-S189 PolarHBondContact O-N 2.66Å; Y185-S189 PolarHBondContact O-OG 2.58Å; D186-S189 WeakPolarHBondContact O-CB 3.49Å; D186-S189 PolarHBondContact O-N 3.13Å; L187-S189 VanDerWaalsContact C-N 3.27Å; L187-S189 PolarHBondContact O-N 3.13Å; S189-A191 PolarHBondContact O-N 3Å; S189-Q192 CarbonylContact O-C 3.57Å; S189-Q192 WeakPolarHBondContact O-CA 3.26Å; S189-Q192 VanDerWaalsContact O-CB 3.27Å; S189-Q192 WeakPolarHBondContact O-CB 3.27Å; S189-Q192 PolarHBondContact O-N 3.11Å; S189-I193 PolarHBondContact O-N 3.09Å
190G89.4Confident90.2Very high20 Ų2030.8 Ų30.821%0.20618%0.18CC..G310 helixtrans51.2-128.3173.800000111.9N33 L187 I188 Q192 I193N33-G190 VanDerWaalsContact CB-O 3.29Å; N33-G190 WeakPolarHBondContact CB-O 3.45Å; N33-G190 PolarHBondContact ND2-O 2.67Å; L187-G190 PolarHBondContact O-N 2.85Å; L187-G190 VanDerWaalsContact O-N 3.08Å; I188-G190 PolarHBondContact O-N 2.7Å; I188-G190 VanDerWaalsContact O-N 3.14Å; G190-Q192 PolarHBondContact O-N 3.38Å; G190-I193 WeakPolarHBondContact O-CB 3.42Å; G190-I193 VanDerWaalsContact O-CG2 3.29Å; G190-I193 WeakPolarHBondContact O-CG2 3.33Å; G190-I193 PolarHBondContact O-N 3.27Å
191A86.3Confident90.7Very high79 Ų7931.8 Ų31.865%0.65318%0.178SC*.G310 helixtrans-70-12177.100000114.7S189 I193S189-A191 PolarHBondContact O-N 3Å; A191-I193 VanDerWaalsContact C-N 3.35Å
192Q90.3Very high91.2Very high56 Ų5634 Ų3426%0.26218%0.178SC..G310 helixtrans-94.14.6-179.5-53.3153.24.800111.9L146 S147 S189 G190 L194L146-Q192 VanDerWaalsContact CB-OE1 3.24Å; S147-Q192 VanDerWaalsContact CA-CD 3.45Å; S189-Q192 CarbonylContact O-C 3.57Å; S189-Q192 WeakPolarHBondContact O-CA 3.26Å; S189-Q192 VanDerWaalsContact O-CB 3.27Å; S189-Q192 WeakPolarHBondContact O-CB 3.27Å; S189-Q192 PolarHBondContact O-N 3.11Å; G190-Q192 PolarHBondContact O-N 3.38Å; Q192-L194 PolarHBondContact O-N 3.02Å
193I91.4Very high91.6Very high2 Ų237.7 Ų37.71%0.0121%0.205CC..  trans-60.2131175.9-166.8173.2000110.3P30 N33 E34 R37 D186 S189 G190 A191P30-I193 HydrophobicContact CB-CD1 3.65Å; N33-I193 HydrophobicContact CB-CG2 3.7Å; E34-I193 HydrophobicContact CB-CG2 4.22Å; R37-I193 WeakPolarHBondContact CD-O 3.45Å; D186-I193 HydrophobicContact CB-CD1 3.98Å; S189-I193 PolarHBondContact O-N 3.09Å; G190-I193 WeakPolarHBondContact O-CB 3.42Å; G190-I193 VanDerWaalsContact O-CG2 3.29Å; G190-I193 WeakPolarHBondContact O-CG2 3.33Å; G190-I193 PolarHBondContact O-N 3.27Å; A191-I193 VanDerWaalsContact C-N 3.35Å
194L91.3Very high91.9Very high7 Ų741 Ų414%0.03722%0.221CC..SBendtrans-77.8-57176.7-60.2-177.4000110.3R149 I153 P162 Q192 D225R149-L194 HydrophobicContact CG-CD1 4.44Å; I153-L194 HydrophobicContact CD1-CD1 3.67Å; I153-L194 HydrophobicContact CD1-CD2 3.6Å; I153-L194 HydrophobicContact CD1-CG 4.3Å; P162-L194 HydrophobicContact CB-CB 4.1Å; P162-L194 HydrophobicContact CB-CD1 4.03Å; P162-L194 HydrophobicContact CG-CB 4.19Å; P162-L194 HydrophobicContact CG-CD1 4.27Å; P162-L194 HydrophobicContact CG-CD2 4.44Å; Q192-L194 PolarHBondContact O-N 3.02Å; L194-D225 VanDerWaalsContact CD1-O 3.31Å; L194-D225 WeakPolarHBondContact CD1-O 3.43Å
195K92.1Very high92.3Very high87 Ų8737.4 Ų37.438%0.37820%0.203SC..SBendtrans-152.7152.4173-64.2-173.8179.3178.20109.3E34 Y224E34-K195 WeakPolarHBondContact OE2-CA 3.48Å; K195-Y224 HydrophobicContact CB-CD1 4.12Å; K195-Y224 HydrophobicContact CB-CD2 3.51Å; K195-Y224 HydrophobicContact CB-CE1 4.17Å; K195-Y224 HydrophobicContact CB-CE2 3.54Å; K195-Y224 HydrophobicContact CB-CG 3.78Å; K195-Y224 HydrophobicContact CD-CD1 4.09Å; K195-Y224 HydrophobicContact CD-CE1 3.57Å; K195-Y224 HydrophobicContact CD-CE2 4.18Å; K195-Y224 HydrophobicContact CG-CD1 4.36Å; K195-Y224 HydrophobicContact CG-CE1 4.29Å; K195-Y224 HydrophobicContact CG-CE2 4.45Å; K195-Y224 HydrophobicContact CG-CG 4.48Å
196A92.1Very high92.6Very high11 Ų1138.7 Ų38.79%0.09121%0.21CC..  trans-65.9138.9177.900000111.8P30 R31 E34P30-A196 HydrophobicContact CB-CB 4.05Å; R31-A196 HydrophobicContact CG-CB 3.94Å; E34-A196 PolarHBondContact OE2-N 3.07Å
197S94.1Very high92.7Very high2 Ų245.8 Ų45.81%0.01424%0.243CC..  trans-68.3152.4171.966.60000112.1I182 K183 D186 V222I182-S197 WeakPolarHBondContact CG2-OG 3.3Å; K183-S197 WeakPolarHBondContact CD-OG 3.27Å; K183-S197 WeakPolarHBondContact CE-OG 3.48Å; K183-S197 PolarHBondContact NZ-O 3.5Å; D186-S197 WeakPolarHBondContact OD2-CB 3.48Å; D186-S197 PolarHBondContact OD2-N 3.07Å; D186-S197 PolarHBondContact OD2-OG 2.97Å; S197-V222 WeakPolarHBondContact CA-O 3.39Å; S197-V222 WeakPolarHBondContact CB-O 3.02Å
198Y94.9Very high92.9Very high61 Ų6148.8 Ų48.824%0.23925%0.251CS..EExtended strand (participates in β ladder)trans-149.6157.8-179.260.5-94000111.6L200 R208 V222 Y224 M346Y198-L200 HydrophobicContact CD2-CD2 3.93Å; Y198-L200 HydrophobicContact CD2-CG 4.07Å; Y198-L200 HydrophobicContact CE2-CD1 4.1Å; Y198-L200 HydrophobicContact CE2-CD2 3.66Å; Y198-L200 HydrophobicContact CE2-CG 3.76Å; Y198-R208 PolarHBondContact OH-NH1 2.63Å; Y198-V222 HydrophobicContact CD1-CB 4.4Å; Y198-V222 HydrophobicContact CD2-CB 4.1Å; Y198-V222 HydrophobicContact CD2-CG2 4.28Å; Y198-V222 HydrophobicContact CE1-CB 3.96Å; Y198-V222 HydrophobicContact CE1-CG1 3.87Å; Y198-V222 HydrophobicContact CE2-CB 3.57Å; Y198-V222 HydrophobicContact CE2-CG1 4.16Å; Y198-V222 HydrophobicContact CE2-CG2 3.53Å; Y198-V222 HydrophobicContact CG-CB 4.48Å; Y198-V222 PolarHBondContact N-O 3.41Å; Y198-V222 PolarHBondContact O-N 3.15Å; Y198-Y224 HydrophobicContact CD1-CE2 4.31Å; Y198-Y224 AromaticContact CE1-CE2 3.78Å; Y198-Y224 HydrophobicContact CE1-CE2 3.78Å; Y198-M346 WeakPolarHBondContact OH-CE 3.13Å
199Y95.2Very high93.1Very high71 Ų7147.8 Ų47.828%0.27825%0.246SC..EExtended strand (participates in β ladder)trans-97.8143.3176.6179.6-100.6000110.6V175 N201 V218V175-Y199 HydrophobicContact CG1-CD2 4.24Å; V175-Y199 HydrophobicContact CG1-CE2 3.81Å; V175-Y199 HydrophobicContact CG2-CE2 4.22Å; Y199-N201 HydrophobicContact CE1-CB 4.41Å; Y199-V218 PolarHBondContact OH-O 3.26Å
200L96Very high93.3Very high3 Ų351.1 Ų51.12%0.01627%0.268CS..EExtended strand (participates in β ladder)trans-113.8128.9170.2-61.6173.2000108.9M166 Y198 Q204 A205 R208 G219 G220 V222M166-L200 HydrophobicContact SD-CD1 4.23Å; Y198-L200 HydrophobicContact CD2-CD2 3.93Å; Y198-L200 HydrophobicContact CD2-CG 4.07Å; Y198-L200 HydrophobicContact CE2-CD1 4.1Å; Y198-L200 HydrophobicContact CE2-CD2 3.66Å; Y198-L200 HydrophobicContact CE2-CG 3.76Å; L200-Q204 HydrophobicContact CB-CB 3.96Å; L200-Q204 HydrophobicContact CD2-CB 3.85Å; L200-Q204 HydrophobicContact CG-CB 4.44Å; L200-A205 HydrophobicContact CB-CB 4.36Å; L200-R208 VanDerWaalsContact CD1-NH1 3.32Å; L200-G219 CarbonylContact O-C 3.56Å; L200-G219 WeakPolarHBondContact O-CA 3.44Å; L200-G220 PolarHBondContact N-O 3.26Å; L200-G220 PolarHBondContact O-N 3.28Å; L200-V222 HydrophobicContact CD1-CG2 3.69Å; L200-V222 HydrophobicContact CG-CG2 4.19Å
201N96.9Very high93.4Very high69 Ų6951.8 Ų51.837%0.36927%0.266SS..EExtended strand (participates in β ladder)trans-67.2167.8167.76844.2000110.5Y199 S203 Q204 A205Y199-N201 HydrophobicContact CE1-CB 4.41Å; N201-S203 VanDerWaalsContact C-N 3.3Å; N201-S203 PolarHBondContact O-N 3.44Å; N201-S203 PolarHBondContact OD1-N 2.62Å; N201-S203 VanDerWaalsContact OD1-N 3.14Å; N201-Q204 PolarHBondContact ND2-OE1 3.25Å; N201-Q204 PolarHBondContact O-N 3.28Å; N201-Q204 VanDerWaalsContact O-N 3.15Å; N201-Q204 WeakPolarHBondContact OD1-CG 3.44Å; N201-Q204 PolarHBondContact OD1-N 3.26Å; N201-A205 PolarHBondContact O-N 3.46Å
202K96.8Very high93.6Very high81 Ų8148 Ų4835%0.35224%0.235SC..Hα-helixtrans-47.1-49.4180-174.9179.5-171.3152.20113.4A205 L206 R214 L217 V218K202-A205 PolarHBondContact O-N 2.81Å; K202-L206 HydrophobicContact CG-CD1 4.02Å; K202-L206 WeakPolarHBondContact O-CG 3.27Å; K202-L206 PolarHBondContact O-N 2.65Å; K202-R214 WeakPolarHBondContact CE-O 3.49Å; K202-R214 PolarHBondContact NZ-O 3.17Å; K202-L217 VanDerWaalsContact CD-O 3.28Å; K202-L217 WeakPolarHBondContact CD-O 3.49Å; K202-L217 HydrophobicContact CG-CD2 4.18Å; K202-L217 HydrophobicContact CG-CG 4.33Å; K202-L217 PolarHBondContact NZ-O 3.34Å; K202-V218 PolarHBondContact N-O 3.05Å
203S97.1Very high93.7Very high90 Ų9048.9 Ų48.963%0.62924%0.238SC*.Hα-helixtrans-64.3-43.9-177.4-53.70000111.8N201 A205 L206 E207N201-S203 VanDerWaalsContact C-N 3.3Å; N201-S203 PolarHBondContact O-N 3.44Å; N201-S203 PolarHBondContact OD1-N 2.62Å; N201-S203 VanDerWaalsContact OD1-N 3.14Å; S203-A205 VanDerWaalsContact C-N 3.35Å; S203-A205 PolarHBondContact O-N 2.97Å; S203-L206 PolarHBondContact O-N 2.85Å; S203-E207 WeakPolarHBondContact O-CB 3.41Å; S203-E207 PolarHBondContact O-N 2.94Å
204Q96.6Very high93.8Very high71 Ų7154.8 Ų54.833%0.33226%0.26SS..Hα-helixtrans-65.9-36.1177.2-69.3171.2-36.100112.6L200 N201 R208L200-Q204 HydrophobicContact CB-CB 3.96Å; L200-Q204 HydrophobicContact CD2-CB 3.85Å; L200-Q204 HydrophobicContact CG-CB 4.44Å; N201-Q204 PolarHBondContact ND2-OE1 3.25Å; N201-Q204 PolarHBondContact O-N 3.28Å; N201-Q204 VanDerWaalsContact O-N 3.15Å; N201-Q204 WeakPolarHBondContact OD1-CG 3.44Å; N201-Q204 PolarHBondContact OD1-N 3.26Å; Q204-R208 WeakPolarHBondContact O-CG 3.5Å; Q204-R208 PolarHBondContact O-N 3.05Å
205A94.9Very high93.9Very high0 Ų058.9 Ų58.90%028%0.282CS..Hα-helixtrans-65.9-45.1175.700000111M166 L200 N201 K202 S203 R208 F209 L217M166-A205 HydrophobicContact SD-CB 4.15Å; L200-A205 HydrophobicContact CB-CB 4.36Å; N201-A205 PolarHBondContact O-N 3.46Å; K202-A205 PolarHBondContact O-N 2.81Å; S203-A205 VanDerWaalsContact C-N 3.35Å; S203-A205 PolarHBondContact O-N 2.97Å; A205-R208 PolarHBondContact O-N 3.41Å; A205-F209 PolarHBondContact O-N 2.66Å; A205-L217 HydrophobicContact CB-CD2 4.46Å
206L94.5Very high94Very high30 Ų3061.9 Ų61.916%0.15730%0.295CS..Hα-helixtrans-71.2-29.5177.9-67.8174.7000113.3K202 S203 R208 F209 P210 L212 R214 L217K202-L206 HydrophobicContact CG-CD1 4.02Å; K202-L206 WeakPolarHBondContact O-CG 3.27Å; K202-L206 PolarHBondContact O-N 2.65Å; S203-L206 PolarHBondContact O-N 2.85Å; L206-R208 VanDerWaalsContact C-N 3.32Å; L206-F209 CarbonylContact O-C 3.57Å; L206-F209 VanDerWaalsContact O-C 3.26Å; L206-P210 WeakPolarHBondContact O-CA 3.43Å; L206-P210 VanDerWaalsContact O-N 3.09Å; L206-L212 HydrophobicContact CD2-CB 4.15Å; L206-R214 HydrophobicContact CD1-CB 4.49Å; L206-R214 HydrophobicContact CD1-CG 3.94Å; L206-R214 HydrophobicContact CD2-CG 3.76Å; L206-L217 HydrophobicContact CD1-CD2 4.42Å; L206-L217 HydrophobicContact CD2-CD2 3.77Å; L206-L217 HydrophobicContact CG-CD2 3.87Å
207E94.1Very high94.1Very high151 Ų15161.7 Ų61.771%0.70629%0.292SS*.Hα-helixtrans-63.3-41.3172.2-176-172.9170.500111.2S203S203-E207 WeakPolarHBondContact O-CB 3.41Å; S203-E207 PolarHBondContact O-N 2.94Å
208R91.8Very high94.2Very high100 Ų10062.3 Ų62.338%0.37730%0.296SS..Hα-helixtrans-82.1-31.1-179.7-66.5179.5-168.4176.54113.1Y198 L200 Q204 A205 L206Y198-R208 PolarHBondContact OH-NH1 2.63Å; L200-R208 VanDerWaalsContact CD1-NH1 3.32Å; Q204-R208 WeakPolarHBondContact O-CG 3.5Å; Q204-R208 PolarHBondContact O-N 3.05Å; A205-R208 PolarHBondContact O-N 3.41Å; L206-R208 VanDerWaalsContact C-N 3.32Å
209F92.4Very high94.3Very high10 Ų1059.4 Ų59.44%0.04429%0.285CS..  trans-132.683.4174.7-166.1-157.5000111.6M166 A205 L206 L211 L212 Y341 P343 L348 L401M166-F209 HydrophobicContact CE-CB 3.89Å; M166-F209 HydrophobicContact CE-CD1 4.06Å; M166-F209 HydrophobicContact CE-CG 4.48Å; A205-F209 PolarHBondContact O-N 2.66Å; L206-F209 CarbonylContact O-C 3.57Å; L206-F209 VanDerWaalsContact O-C 3.26Å; F209-L211 HydrophobicContact CD2-CB 4.24Å; F209-L211 HydrophobicContact CE2-CB 3.71Å; F209-L211 HydrophobicContact CE2-CD1 4.41Å; F209-L211 HydrophobicContact CE2-CG 4.23Å; F209-L211 HydrophobicContact CZ-CB 4.23Å; F209-L211 PolarHBondContact O-N 3.37Å; F209-L212 HydrophobicContact CB-CB 4.25Å; F209-L212 HydrophobicContact CD1-CB 3.59Å; F209-L212 HydrophobicContact CD1-CD1 3.91Å; F209-L212 HydrophobicContact CD1-CD2 4.47Å; F209-L212 HydrophobicContact CD1-CG 4.19Å; F209-L212 HydrophobicContact CE1-CB 4.1Å; F209-L212 HydrophobicContact CE1-CD1 4Å; F209-L212 HydrophobicContact CG-CB 4.02Å; F209-L212 VanDerWaalsContact O-CB 3.24Å; F209-L212 WeakPolarHBondContact O-CB 3.45Å; F209-L212 PolarHBondContact O-N 2.83Å; F209-L212 VanDerWaalsContact O-N 3.12Å; F209-Y341 WeakPolarHBondContact CZ-O 3.33Å; F209-P343 HydrophobicContact CB-CG 3.69Å; F209-P343 HydrophobicContact CD1-CG 4.38Å; F209-P343 HydrophobicContact CD2-CG 3.74Å; F209-P343 HydrophobicContact CE2-CG 4.47Å; F209-P343 HydrophobicContact CG-CG 3.68Å; F209-L348 HydrophobicContact CD1-CD1 3.61Å; F209-L348 HydrophobicContact CE1-CD1 3.51Å; F209-L401 HydrophobicContact CE1-CD2 4.39Å; F209-L401 HydrophobicContact CE2-CD2 4.41Å; F209-L401 HydrophobicContact CZ-CD2 3.64Å
210P91.1Very high94.3Very high72 Ų7256 Ų5647%0.46827%0.272SS..THydrogen-bonded Turntrans-62.9-27.8-176.2-26.235.9000114.6L206 L212L206-P210 WeakPolarHBondContact O-CA 3.43Å; L206-P210 VanDerWaalsContact O-N 3.09Å; P210-L212 VanDerWaalsContact C-N 3.26Å; P210-L212 PolarHBondContact O-N 2.95Å
211L91.1Very high94.2Very high35 Ų3556 Ų5618%0.18327%0.271CS..THydrogen-bonded Turntrans-79.8-6.9179.9-49.5-173.3000113F209 Y340 L401 S402 I405F209-L211 HydrophobicContact CD2-CB 4.24Å; F209-L211 HydrophobicContact CE2-CB 3.71Å; F209-L211 HydrophobicContact CE2-CD1 4.41Å; F209-L211 HydrophobicContact CE2-CG 4.23Å; F209-L211 HydrophobicContact CZ-CB 4.23Å; F209-L211 PolarHBondContact O-N 3.37Å; L211-Y340 WeakPolarHBondContact CD1-O 3.32Å; L211-L401 HydrophobicContact CB-CD2 4Å; L211-L401 CarbonylContact O-C 3.51Å; L211-L401 VanDerWaalsContact O-CA 3.28Å; L211-L401 WeakPolarHBondContact O-CA 3.4Å; L211-S402 PolarHBondContact O-N 3.45Å; L211-I405 HydrophobicContact CB-CG1 4.45Å; L211-I405 HydrophobicContact CD2-CD1 3.77Å; L211-I405 HydrophobicContact CD2-CG1 3.97Å
212L92.1Very high94.1Very high0 Ų052.7 Ų52.70%025%0.254CS..BIsolated β-bridgetrans-64.7137.9179.1-17363.8000110.8M166 P168 L206 F209 P210 R214 L217 L348M166-L212 HydrophobicContact CE-CD2 4.04Å; P168-L212 HydrophobicContact CB-CD1 4.08Å; P168-L212 HydrophobicContact CB-CD2 3.99Å; P168-L212 HydrophobicContact CG-CD1 4.32Å; L206-L212 HydrophobicContact CD2-CB 4.15Å; F209-L212 HydrophobicContact CB-CB 4.25Å; F209-L212 HydrophobicContact CD1-CB 3.59Å; F209-L212 HydrophobicContact CD1-CD1 3.91Å; F209-L212 HydrophobicContact CD1-CD2 4.47Å; F209-L212 HydrophobicContact CD1-CG 4.19Å; F209-L212 HydrophobicContact CE1-CB 4.1Å; F209-L212 HydrophobicContact CE1-CD1 4Å; F209-L212 HydrophobicContact CG-CB 4.02Å; F209-L212 VanDerWaalsContact O-CB 3.24Å; F209-L212 WeakPolarHBondContact O-CB 3.45Å; F209-L212 PolarHBondContact O-N 2.83Å; F209-L212 VanDerWaalsContact O-N 3.12Å; P210-L212 VanDerWaalsContact C-N 3.26Å; P210-L212 PolarHBondContact O-N 2.95Å; L212-R214 PolarHBondContact O-N 3.49Å; L212-R214 VanDerWaalsContact O-N 3.14Å; L212-L217 HydrophobicContact CD2-CD1 3.97Å; L212-L217 HydrophobicContact CD2-CD2 3.73Å; L212-L217 HydrophobicContact CG-CD2 4.37Å; L212-L348 HydrophobicContact CD1-CD1 3.87Å
213K92Very high94Very high74 Ų7448.9 Ų48.932%0.32224%0.237SC..  trans-54.3119.4175.2-176.4174.2-175.8168.60111.6Y170 Y400Y170-K213 HydrophobicContact CE1-CB 4.48Å; Y170-K213 PolarHBondContact OH-O 2.9Å; K213-Y400 VanDerWaalsContact CB-O 3.32Å; K213-Y400 WeakPolarHBondContact CB-O 3.43Å; K213-Y400 PolarHBondContact N-O 3.24Å
214R93.5Very high93.9Very high126 Ų12646 Ų4648%0.47521%0.213SC..  trans-81.8-29.1-174-60.3-178.2-176.51606.8113.8K202 L206 L212 K216 L217K202-R214 WeakPolarHBondContact CE-O 3.49Å; K202-R214 PolarHBondContact NZ-O 3.17Å; L206-R214 HydrophobicContact CD1-CB 4.49Å; L206-R214 HydrophobicContact CD1-CG 3.94Å; L206-R214 HydrophobicContact CD2-CG 3.76Å; L212-R214 PolarHBondContact O-N 3.49Å; L212-R214 VanDerWaalsContact O-N 3.14Å; R214-K216 PolarHBondContact O-N 3.08Å; R214-L217 PolarHBondContact O-N 3.28Å
215D93.1Very high93.7Very high93 Ų9342.7 Ų42.750%0.49720%0.197SC..THydrogen-bonded Turntrans-61.6133.2-178.4-178.251.2000110.3Y170 L217Y170-D215 VanDerWaalsContact CD1-O 3.31Å; Y170-D215 WeakPolarHBondContact CD1-O 3.35Å; Y170-D215 WeakPolarHBondContact CE1-O 3.25Å; D215-L217 PolarHBondContact O-N 3.19Å
216K93.1Very high93.7Very high150 Ų15042.7 Ų42.765%0.65220%0.197SC*.THydrogen-bonded Turntrans57-1.7-178.8-62.2164.6-169.61710116.8Y170 R214 V218Y170-K216 CarbonylContact C-O 3.5Å; Y170-K216 WeakPolarHBondContact CA-O 3.32Å; Y170-K216 HydrophobicContact CD1-CB 4.23Å; Y170-K216 VanDerWaalsContact O-O 3.14Å; R214-K216 PolarHBondContact O-N 3.08Å; K216-V218 PolarHBondContact O-N 3.18Å
217L95.4Very high93.8Very high6 Ų641.3 Ų41.33%0.03119%0.19CC..  trans-60.1124.4177.4-176.569.5000110.1P168 Y170 K202 A205 L206 L212 R214 D215 G219P168-L217 HydrophobicContact CB-CD1 4.1Å; Y170-L217 HydrophobicContact CD1-CB 4.23Å; Y170-L217 HydrophobicContact CD1-CD1 4.48Å; Y170-L217 HydrophobicContact CE1-CB 3.99Å; Y170-L217 HydrophobicContact CE1-CD1 4.09Å; K202-L217 VanDerWaalsContact CD-O 3.28Å; K202-L217 WeakPolarHBondContact CD-O 3.49Å; K202-L217 HydrophobicContact CG-CD2 4.18Å; K202-L217 HydrophobicContact CG-CG 4.33Å; K202-L217 PolarHBondContact NZ-O 3.34Å; A205-L217 HydrophobicContact CB-CD2 4.46Å; L206-L217 HydrophobicContact CD1-CD2 4.42Å; L206-L217 HydrophobicContact CD2-CD2 3.77Å; L206-L217 HydrophobicContact CG-CD2 3.87Å; L212-L217 HydrophobicContact CD2-CD1 3.97Å; L212-L217 HydrophobicContact CD2-CD2 3.73Å; L212-L217 HydrophobicContact CG-CD2 4.37Å; R214-L217 PolarHBondContact O-N 3.28Å; D215-L217 PolarHBondContact O-N 3.19Å; L217-G219 WeakPolarHBondContact CD1-O 3.48Å
218V96.3Very high94Very high15 Ų1534.1 Ų34.19%0.09116%0.156CC..  trans-95-39.3177.5177.60000110.4I169 W172 V175 Y199 K202 K216I169-V218 WeakPolarHBondContact O-CB 3.33Å; I169-V218 PolarHBondContact O-N 3.06Å; W172-V218 HydrophobicContact CD2-CG1 3.65Å; W172-V218 HydrophobicContact CD2-CG2 4.26Å; W172-V218 HydrophobicContact CE3-CG1 3.64Å; W172-V218 HydrophobicContact CG-CG1 4.33Å; W172-V218 HydrophobicContact CG-CG2 4.2Å; W172-V218 HydrophobicContact CH2-CG1 3.92Å; W172-V218 HydrophobicContact CZ2-CG1 3.93Å; W172-V218 HydrophobicContact CZ3-CG1 3.78Å; V175-V218 HydrophobicContact CG2-CG1 3.87Å; Y199-V218 PolarHBondContact OH-O 3.26Å; K202-V218 PolarHBondContact N-O 3.05Å; K216-V218 PolarHBondContact O-N 3.18Å
219G96.3Very high94.3Very high0 Ų029.9 Ų29.90%014%0.141CC..EExtended strand (participates in β ladder)trans170.4-166.2-179.200000111.7I169 L200 L217I169-G219 PolarHBondContact N-O 3.41Å; I169-G219 PolarHBondContact O-N 3.26Å; L200-G219 CarbonylContact O-C 3.56Å; L200-G219 WeakPolarHBondContact O-CA 3.44Å; L217-G219 WeakPolarHBondContact CD1-O 3.48Å
220G95Very high94.5Very high0 Ų029.4 Ų29.40%014%0.139CC..EExtended strand (participates in β ladder)trans-136.5138.1178.400000111.4L167 L200L167-G220 CarbonylContact O-C 3.5Å; L167-G220 WeakPolarHBondContact O-CA 3.41Å; L200-G220 PolarHBondContact N-O 3.26Å; L200-G220 PolarHBondContact O-N 3.28Å
221L95Very high94.9Very high2 Ų226 Ų261%0.0112%0.117CC..EExtended strand (participates in β ladder)trans-101.4127.2173.3-179.161.5000109.4M166 L167 I169 Y178 W179 I182M166-L221 CarbonylContact C-O 3.49Å; M166-L221 WeakPolarHBondContact CA-O 3.18Å; L167-L221 HydrophobicContact CB-CB 4.46Å; L167-L221 PolarHBondContact N-O 2.8Å; L167-L221 PolarHBondContact O-N 3.07Å; I169-L221 HydrophobicContact CD1-CB 4.02Å; Y178-L221 VanDerWaalsContact C-CD2 3.49Å; Y178-L221 WeakPolarHBondContact O-CD2 3.46Å; W179-L221 HydrophobicContact CE3-CD1 3.41Å; W179-L221 VanDerWaalsContact CE3-CD1 3.41Å; W179-L221 HydrophobicContact CZ3-CD1 3.68Å; I182-L221 HydrophobicContact CB-CD2 3.99Å; I182-L221 HydrophobicContact CD1-CD2 3.29Å; I182-L221 HydrophobicContact CD1-CG 3.7Å; I182-L221 HydrophobicContact CG1-CD2 3.65Å; I182-L221 HydrophobicContact CG1-CG 4.45Å
222V95.2Very high95.2Very high0 Ų024.4 Ų24.40%011%0.108CC..EExtended strand (participates in β ladder)trans-111.2126.3-179.1-175.90000110.2P164 I165 M166 S197 Y198 L200 M346P164-V222 HydrophobicContact CB-CG1 3.65Å; I165-V222 WeakPolarHBondContact O-CA 3.42Å; M166-V222 HydrophobicContact CB-CG2 4.12Å; M166-V222 HydrophobicContact CG-CG2 4.19Å; S197-V222 WeakPolarHBondContact CA-O 3.39Å; S197-V222 WeakPolarHBondContact CB-O 3.02Å; Y198-V222 HydrophobicContact CD1-CB 4.4Å; Y198-V222 HydrophobicContact CD2-CB 4.1Å; Y198-V222 HydrophobicContact CD2-CG2 4.28Å; Y198-V222 HydrophobicContact CE1-CB 3.96Å; Y198-V222 HydrophobicContact CE1-CG1 3.87Å; Y198-V222 HydrophobicContact CE2-CB 3.57Å; Y198-V222 HydrophobicContact CE2-CG1 4.16Å; Y198-V222 HydrophobicContact CE2-CG2 3.53Å; Y198-V222 HydrophobicContact CG-CB 4.48Å; Y198-V222 PolarHBondContact N-O 3.41Å; Y198-V222 PolarHBondContact O-N 3.15Å; L200-V222 HydrophobicContact CD1-CG2 3.69Å; L200-V222 HydrophobicContact CG-CG2 4.19Å; V222-M346 HydrophobicContact CG1-CE 3.98Å; V222-M346 HydrophobicContact CG2-CE 3.87Å; V222-M346 HydrophobicContact CG2-SD 4.3Å
223Y94Very high95.5Very high2 Ų224.4 Ų24.41%0.00811%0.108CC..EExtended strand (participates in β ladder)trans-119.2169.1167.677.2-78.4000110P164 I165 I182 Y185 D225 L349P164-Y223 CarbonylContact C-O 3.26Å; P164-Y223 WeakPolarHBondContact CA-O 3.47Å; I165-Y223 HydrophobicContact CB-CD1 4.19Å; I165-Y223 HydrophobicContact CB-CE1 3.67Å; I165-Y223 HydrophobicContact CD1-CE2 4.4Å; I165-Y223 HydrophobicContact CG2-CE1 3.71Å; I165-Y223 PolarHBondContact N-O 2.8Å; I165-Y223 WeakPolarHBondContact O-CD1 3.4Å; I165-Y223 PolarHBondContact O-N 3.19Å; I165-Y223 VanDerWaalsContact O-N 3.11Å; I182-Y223 HydrophobicContact CD1-CD1 3.94Å; I182-Y223 HydrophobicContact CD1-CG 4.19Å; Y185-Y223 HydrophobicContact CE1-CD2 4.48Å; Y223-D225 HydrophobicContact CE2-CB 4.08Å; Y223-L349 HydrophobicContact CE1-CD2 4.24Å
224Y94Very high95.8Very high30 Ų3020.9 Ų20.912%0.1189%0.093CC..EExtended strand (participates in β ladder)trans-114132178.6-72.7-95.1000111.2R149 P162 L163 P164 K195 Y198R149-Y224 PolarHBondContact NH1-O 2.84Å; P162-Y224 HydrophobicContact CB-CD1 4.32Å; L163-Y224 WeakPolarHBondContact O-CA 3.31Å; P164-Y224 HydrophobicContact CB-CD1 3.96Å; P164-Y224 HydrophobicContact CB-CE1 3.5Å; P164-Y224 HydrophobicContact CG-CE1 3.93Å; K195-Y224 HydrophobicContact CB-CD1 4.12Å; K195-Y224 HydrophobicContact CB-CD2 3.51Å; K195-Y224 HydrophobicContact CB-CE1 4.17Å; K195-Y224 HydrophobicContact CB-CE2 3.54Å; K195-Y224 HydrophobicContact CB-CG 3.78Å; K195-Y224 HydrophobicContact CD-CD1 4.09Å; K195-Y224 HydrophobicContact CD-CE1 3.57Å; K195-Y224 HydrophobicContact CD-CE2 4.18Å; K195-Y224 HydrophobicContact CG-CD1 4.36Å; K195-Y224 HydrophobicContact CG-CE1 4.29Å; K195-Y224 HydrophobicContact CG-CE2 4.45Å; K195-Y224 HydrophobicContact CG-CG 4.48Å; Y198-Y224 HydrophobicContact CD1-CE2 4.31Å; Y198-Y224 AromaticContact CE1-CE2 3.78Å; Y198-Y224 HydrophobicContact CE1-CE2 3.78Å
225D93.3Very high96.1Very high0 Ų015.1 Ų15.10%07%0.071CC..EExtended strand (participates in β ladder)trans-122.1-175.3166.6-143.1-5000110.4H121 G122 R149 P162 L163 I165 L194 Y223H121-D225 WeakPolarHBondContact CA-OD2 3.43Å; H121-D225 IonicContact CE1-OD2 3.59Å; H121-D225 IonicContact CG-OD2 3.74Å; H121-D225 IonicContact ND1-OD2 2.86Å; H121-D225 PolarHBondContact ND1-OD2 3.05Å; G122-D225 PolarHBondContact N-OD1 2.81Å; R149-D225 WeakPolarHBondContact CD-OD1 3.45Å; R149-D225 IonicContact CZ-OD1 2.67Å; R149-D225 IonicContact NE-OD1 3.48Å; R149-D225 IonicContact NH1-OD1 3.33Å; R149-D225 PolarHBondContact NH1-OD1 2.97Å; P162-D225 CarbonylContact C-O 3.58Å; P162-D225 WeakPolarHBondContact CA-O 3.27Å; L163-D225 PolarHBondContact N-O 3.09Å; L163-D225 PolarHBondContact O-N 2.86Å; I165-D225 HydrophobicContact CD1-CB 3.91Å; L194-D225 VanDerWaalsContact CD1-O 3.31Å; L194-D225 WeakPolarHBondContact CD1-O 3.43Å; Y223-D225 HydrophobicContact CE2-CB 4.08Å
226G95.3Very high96.3Very high0 Ų010.7 Ų10.70%05%0.048CC..EExtended strand (participates in β ladder)trans-96.5147.1171.700000111.7L119 I120L119-G226 CarbonylContact C-O 3.42Å; L119-G226 WeakPolarHBondContact CA-O 3.39Å; L119-G226 WeakPolarHBondContact CD2-O 3.3Å; I120-G226 PolarHBondContact N-O 3.16Å; I120-G226 PolarHBondContact O-N 3.37Å
227Q96.9Very high96.6Very high2 Ų23.5 Ų3.51%0.0092%0.017CC..EExtended strand (participates in β ladder)trans-121.8152.4163.4-170.1179.442.900108.9K118 A160 Y161 L163 P363K118-Q227 HydrophobicContact CB-CG 4.39Å; K118-Q227 CarbonylContact O-C 3.56Å; K118-Q227 VanDerWaalsContact O-CA 3.3Å; K118-Q227 WeakPolarHBondContact O-CA 3.39Å; K118-Q227 VanDerWaalsContact O-CG 3.29Å; K118-Q227 WeakPolarHBondContact O-CG 3.38Å; A160-Q227 VanDerWaalsContact CA-O 3.29Å; A160-Q227 WeakPolarHBondContact CA-O 3.43Å; Y161-Q227 HydrophobicContact CD2-CB 4.42Å; Y161-Q227 HydrophobicContact CE2-CB 3.91Å; Y161-Q227 HydrophobicContact CE2-CG 4.38Å; Y161-Q227 VanDerWaalsContact CE2-OE1 3.23Å; Y161-Q227 PolarHBondContact N-O 3.38Å; Y161-Q227 PolarHBondContact O-N 2.93Å; Y161-Q227 PolarHBondContact OH-OE1 3.02Å; L163-Q227 HydrophobicContact CB-CB 3.91Å; L163-Q227 HydrophobicContact CD2-CB 4.07Å; L163-Q227 HydrophobicContact CD2-CG 4.4Å; Q227-P363 PolarHBondContact NE2-O 2.83Å; Q227-P363 PolarHBondContact OE1-O 3.09Å
228Q97.5Very high96.8Very high0 Ų03.2 Ų3.20%02%0.015CC..EExtended strand (participates in β ladder)trans-144165.6-179.862.2179.8-23.400113.7K118 I120 L159 A160 D230K118-Q228 PolarHBondContact O-N 3.5Å; I120-Q228 HydrophobicContact CD1-CB 3.8Å; I120-Q228 HydrophobicContact CD1-CG 4.29Å; I120-Q228 HydrophobicContact CG1-CB 3.9Å; I120-Q228 HydrophobicContact CG1-CG 3.81Å; L159-Q228 CarbonylContact O-C 3.39Å; L159-Q228 WeakPolarHBondContact O-CA 3.39Å; A160-Q228 HydrophobicContact CB-CB 4.21Å; Q228-D230 HydrophobicContact CG-CB 4.32Å
229E97.5Very high96.9Very high10 Ų102.5 Ų2.55%0.0471%0.011CC..  trans-89.8101.5157.4-149.2-30.2-100.500110.7L159 A231 R232 M233 W364 M365 I519 R576L159-E229 HydrophobicContact CD2-CB 4.3Å; L159-E229 PolarHBondContact O-N 2.83Å; E229-A231 PolarHBondContact OE1-N 3.01Å; E229-R232 HydrophobicContact CB-CB 4.14Å; E229-R232 HydrophobicContact CG-CB 4.05Å; E229-R232 PolarHBondContact OE1-N 3.34Å; E229-R232 VanDerWaalsContact OE1-N 3.14Å; E229-M233 WeakPolarHBondContact O-CB 3.46Å; E229-M233 PolarHBondContact O-N 2.79Å; E229-W364 VanDerWaalsContact OE2-CZ2 3.32Å; E229-W364 WeakPolarHBondContact OE2-CZ2 3.3Å; E229-M365 HydrophobicContact CG-CE 3.68Å; E229-I519 HydrophobicContact CB-CD1 4.35Å; E229-I519 HydrophobicContact CG-CD1 3.83Å; E229-R576 HydrophobicContact CG-CG 4.43Å; E229-R576 VanDerWaalsContact OE1-CD 3.27Å; E229-R576 WeakPolarHBondContact OE1-CD 3.42Å; E229-R576 IonicContact OE1-NE 3.83Å; E229-R576 IonicContact OE2-NE 2.72Å
230D97.6Very high97Very high0 Ų02.5 Ų2.50%01%0.011CC..Hα-helixtrans-72.2-41.3-162.962.7-10.8000113.8S113 S114 S116 K118 Q228 C234 R576S113-D230 WeakPolarHBondContact O-CB 3.34Å; S114-D230 VanDerWaalsContact C-OD2 3.23Å; S116-D230 WeakPolarHBondContact CB-OD2 3.26Å; S116-D230 PolarHBondContact N-OD2 2.76Å; S116-D230 VanDerWaalsContact N-OD2 3.1Å; S116-D230 PolarHBondContact OG-OD2 3.18Å; K118-D230 HydrophobicContact CD-CB 4.18Å; K118-D230 VanDerWaalsContact CD-CG 3.44Å; K118-D230 WeakPolarHBondContact CD-OD1 3.38Å; K118-D230 WeakPolarHBondContact CD-OD2 3.37Å; K118-D230 WeakPolarHBondContact CE-OD1 3.46Å; K118-D230 WeakPolarHBondContact CE-OD2 3.29Å; K118-D230 VanDerWaalsContact NZ-CG 3.33Å; K118-D230 IonicContact NZ-OD1 3.65Å; K118-D230 PolarHBondContact NZ-OD1 3.37Å; K118-D230 IonicContact NZ-OD2 3.32Å; K118-D230 PolarHBondContact NZ-OD2 2.95Å; Q228-D230 HydrophobicContact CG-CB 4.32Å; D230-C234 WeakPolarHBondContact O-CB 3.44Å; D230-C234 PolarHBondContact O-N 3.16Å; D230-C234 VanDerWaalsContact O-N 3.08Å; D230-R576 IonicContact OD1-NH2 2.67Å
231A98.1Very high97.2Very high1 Ų12.5 Ų2.51%0.0081%0.011CC..Hα-helixtrans-68-48.1176.400000111.4A109 E229 M233 C234 L235 R573 R576A109-A231 HydrophobicContact CB-CB 4.47Å; E229-A231 PolarHBondContact OE1-N 3.01Å; A231-M233 VanDerWaalsContact C-N 3.33Å; A231-M233 PolarHBondContact O-N 3.46Å; A231-C234 PolarHBondContact O-N 2.99Å; A231-L235 PolarHBondContact O-N 3.39Å; A231-R573 HydrophobicContact CB-CB 4.13Å; A231-R573 HydrophobicContact CB-CG 4.1Å; A231-R576 VanDerWaalsContact CB-NH1 3.3Å
232R98.3Very high97.4Very high2 Ų22.7 Ų2.71%0.0081%0.012CC..Hα-helixtrans-64.5-37.8179.2-174.566.1-173.9167.112112.3L159 E229 L235 S236 I519 Y520 E562L159-R232 HydrophobicContact CD1-CG 3.96Å; L159-R232 HydrophobicContact CD2-CB 3.99Å; L159-R232 HydrophobicContact CD2-CG 3.39Å; L159-R232 HydrophobicContact CG-CG 4.34Å; E229-R232 HydrophobicContact CB-CB 4.14Å; E229-R232 HydrophobicContact CG-CB 4.05Å; E229-R232 PolarHBondContact OE1-N 3.34Å; E229-R232 VanDerWaalsContact OE1-N 3.14Å; R232-L235 PolarHBondContact O-N 2.96Å; R232-S236 WeakPolarHBondContact O-CB 3.24Å; R232-S236 PolarHBondContact O-N 3.24Å; R232-S236 PolarHBondContact O-OG 3.11Å; R232-I519 HydrophobicContact CG-CG2 3.92Å; R232-I519 WeakPolarHBondContact CG-O 3.35Å; R232-I519 PolarHBondContact NE-O 3.21Å; R232-Y520 VanDerWaalsContact NH2-CD1 3.3Å; R232-E562 IonicContact CZ-OE1 2.68Å; R232-E562 IonicContact CZ-OE2 3.39Å; R232-E562 VanDerWaalsContact NH1-CD 3.28Å; R232-E562 IonicContact NH1-OE1 2.76Å; R232-E562 PolarHBondContact NH1-OE1 3.33Å; R232-E562 IonicContact NH1-OE2 3.34Å; R232-E562 PolarHBondContact NH1-OE2 3.07Å; R232-E562 IonicContact NH2-OE1 3.16Å; R232-E562 PolarHBondContact NH2-OE1 2.98Å; R232-E562 IonicContact NH2-OE2 3.68Å
233M98.5Very high97.5Very high0 Ų03.5 Ų3.50%02%0.015CC..Hα-helixtrans-63.6-47175.3-173.571.482.300111.2L152 A156 L159 A160 E229 A231 L235 S236 I237 W455 L488L152-M233 HydrophobicContact CD2-CE 4.28Å; L152-M233 HydrophobicContact CD2-CG 4.41Å; L152-M233 HydrophobicContact CD2-SD 4.33Å; A156-M233 HydrophobicContact CB-CE 3.69Å; A156-M233 HydrophobicContact CB-SD 3.54Å; A156-M233 VanDerWaalsContact CB-SD 3.54Å; L159-M233 HydrophobicContact CB-CE 3.57Å; L159-M233 HydrophobicContact CB-SD 4.19Å; L159-M233 HydrophobicContact CD1-CB 4.33Å; L159-M233 HydrophobicContact CD1-SD 4.04Å; A160-M233 HydrophobicContact CB-CE 3.46Å; A160-M233 VanDerWaalsContact CB-CE 3.46Å; E229-M233 WeakPolarHBondContact O-CB 3.46Å; E229-M233 PolarHBondContact O-N 2.79Å; A231-M233 VanDerWaalsContact C-N 3.33Å; A231-M233 PolarHBondContact O-N 3.46Å; M233-L235 PolarHBondContact O-N 3.21Å; M233-S236 PolarHBondContact O-N 2.85Å; M233-I237 HydrophobicContact CG-CD1 4.38Å; M233-I237 VanDerWaalsContact O-CG1 3.31Å; M233-I237 WeakPolarHBondContact O-CG1 3.47Å; M233-I237 PolarHBondContact O-N 3.37Å; M233-W455 HydrophobicContact CB-CH2 3.83Å; M233-W455 HydrophobicContact CB-CZ2 4.01Å; M233-W455 HydrophobicContact CG-CH2 3.26Å; M233-W455 HydrophobicContact CG-CZ2 3.94Å; M233-W455 HydrophobicContact CG-CZ3 4.17Å; M233-L488 HydrophobicContact SD-CD1 3.64Å
234C98.8Very high97.7Very high0 Ų04.3 Ų4.30%02%0.019CC..Hα-helixtrans-59.9-44.2175.9-1760000112.3A84 A109 D230 A231 I237 A238 W455A84-C234 PolarHBondContact N-SG 3.45Å; A84-C234 VanDerWaalsContact N-SG 3.37Å; A109-C234 HydrophobicContact CB-CB 3.57Å; A109-C234 VanDerWaalsContact CB-SG 3.58Å; D230-C234 WeakPolarHBondContact O-CB 3.44Å; D230-C234 PolarHBondContact O-N 3.16Å; D230-C234 VanDerWaalsContact O-N 3.08Å; A231-C234 PolarHBondContact O-N 2.99Å; C234-I237 PolarHBondContact O-N 3.39Å; C234-A238 PolarHBondContact O-N 3.05Å; C234-A238 VanDerWaalsContact O-N 3.14Å; C234-W455 HydrophobicContact CB-CZ2 4.5Å
235L98.7Very high97.8Very high4 Ų47.3 Ų7.32%0.0214%0.037CC..Hα-helixtrans-61-45.3174.4178.660.8000111F108 A231 R232 M233 I237 A238 L239 E562 R574F108-L235 HydrophobicContact CB-CD1 4.25Å; F108-L235 HydrophobicContact CD2-CD1 4.06Å; F108-L235 HydrophobicContact CG-CD1 4.46Å; A231-L235 PolarHBondContact O-N 3.39Å; R232-L235 PolarHBondContact O-N 2.96Å; M233-L235 PolarHBondContact O-N 3.21Å; L235-I237 VanDerWaalsContact C-N 3.27Å; L235-I237 PolarHBondContact O-N 3.39Å; L235-A238 CarbonylContact O-C 3.59Å; L235-A238 WeakPolarHBondContact O-CA 3.5Å; L235-A238 WeakPolarHBondContact O-CB 3.47Å; L235-A238 PolarHBondContact O-N 2.72Å; L235-L239 HydrophobicContact CD1-CD1 4.35Å; L235-L239 HydrophobicContact CD1-CD2 4.08Å; L235-L239 HydrophobicContact CD1-CG 3.96Å; L235-L239 HydrophobicContact CG-CD1 4Å; L235-L239 HydrophobicContact CG-CG 4.03Å; L235-L239 VanDerWaalsContact O-CG 3.31Å; L235-L239 WeakPolarHBondContact O-CG 3.28Å; L235-L239 PolarHBondContact O-N 3.3Å; L235-E562 HydrophobicContact CD2-CB 4.39Å; L235-R574 VanDerWaalsContact CD2-NE 3.26Å
236S98.7Very high98.1Very high0 Ų07.4 Ų7.40%04%0.038CC..Hα-helixtrans-61.2-35.7179.5-58.50000112.1L159 R232 M233 T240L159-S236 WeakPolarHBondContact CD1-OG 3.3Å; R232-S236 WeakPolarHBondContact O-CB 3.24Å; R232-S236 PolarHBondContact O-N 3.24Å; R232-S236 PolarHBondContact O-OG 3.11Å; M233-S236 PolarHBondContact O-N 2.85Å; S236-T240 VanDerWaalsContact O-CB 3.24Å; S236-T240 WeakPolarHBondContact O-CB 3.27Å; S236-T240 PolarHBondContact O-N 3.29Å; S236-T240 PolarHBondContact O-OG1 3.26Å
237I98.8Very high98.3Very high0 Ų07.4 Ų7.40%04%0.038CC..Hα-helixtrans-61.7-48.3171.7-64.8159.3000110.4A87 L91 M233 C234 L235 T240 A241 W455 Y458 L488A87-I237 VanDerWaalsContact C-CG2 3.42Å; A87-I237 HydrophobicContact CB-CB 4.16Å; A87-I237 HydrophobicContact CB-CG2 3.73Å; A87-I237 WeakPolarHBondContact O-CG2 3.17Å; L91-I237 HydrophobicContact CB-CG2 4.16Å; L91-I237 HydrophobicContact CD2-CG2 3.94Å; M233-I237 HydrophobicContact CG-CD1 4.38Å; M233-I237 VanDerWaalsContact O-CG1 3.31Å; M233-I237 WeakPolarHBondContact O-CG1 3.47Å; M233-I237 PolarHBondContact O-N 3.37Å; C234-I237 PolarHBondContact O-N 3.39Å; L235-I237 VanDerWaalsContact C-N 3.27Å; L235-I237 PolarHBondContact O-N 3.39Å; I237-T240 PolarHBondContact O-N 2.83Å; I237-A241 PolarHBondContact O-N 2.88Å; I237-W455 HydrophobicContact CD1-CH2 4.31Å; I237-Y458 HydrophobicContact CD1-CD2 4Å; I237-Y458 HydrophobicContact CD1-CE1 4.07Å; I237-Y458 HydrophobicContact CD1-CE2 3.43Å; I237-Y458 VanDerWaalsContact CD1-CE2 3.43Å; I237-Y458 VanDerWaalsContact CD1-CZ 3.45Å; I237-Y458 HydrophobicContact CG1-CE2 4.08Å; I237-Y458 HydrophobicContact CG2-CE2 4.1Å; I237-L488 HydrophobicContact CG1-CD1 3.69Å; I237-L488 HydrophobicContact CG1-CD2 4.29Å
238A98.9Very high98.4Very high0 Ų07.3 Ų7.30%04%0.037CC..Hα-helixtrans-63.7-47.3178.400000112A87 L102 F108 C234 L235 T240 A241 A242 I248A87-A238 HydrophobicContact CB-CB 4.15Å; L102-A238 HydrophobicContact CD2-CB 4.27Å; F108-A238 HydrophobicContact CD1-CB 4.2Å; F108-A238 HydrophobicContact CE1-CB 4.39Å; F108-A238 HydrophobicContact CG-CB 4.47Å; C234-A238 PolarHBondContact O-N 3.05Å; C234-A238 VanDerWaalsContact O-N 3.14Å; L235-A238 CarbonylContact O-C 3.59Å; L235-A238 WeakPolarHBondContact O-CA 3.5Å; L235-A238 WeakPolarHBondContact O-CB 3.47Å; L235-A238 PolarHBondContact O-N 2.72Å; A238-T240 VanDerWaalsContact C-N 3.25Å; A238-T240 PolarHBondContact O-N 3.1Å; A238-A241 WeakPolarHBondContact O-CA 3.22Å; A238-A241 VanDerWaalsContact O-CB 3.27Å; A238-A241 WeakPolarHBondContact O-CB 3.35Å; A238-A241 PolarHBondContact O-N 2.86Å; A238-A242 PolarHBondContact O-N 3.46Å; A238-I248 HydrophobicContact CB-CD1 4.2Å; A238-I248 WeakPolarHBondContact O-CD1 3.41Å
239L98.7Very high98.4Very high0 Ų07.3 Ų7.30%04%0.037CC..Hα-helixtrans-57.7-41.5175.4-64.7-175.5000111L59 L235 A241 A242 R243 E489 E562 Y563L59-L239 HydrophobicContact CD1-CD1 4.43Å; L59-L239 HydrophobicContact CD1-CD2 3.86Å; L235-L239 HydrophobicContact CD1-CD1 4.35Å; L235-L239 HydrophobicContact CD1-CD2 4.08Å; L235-L239 HydrophobicContact CD1-CG 3.96Å; L235-L239 HydrophobicContact CG-CD1 4Å; L235-L239 HydrophobicContact CG-CG 4.03Å; L235-L239 VanDerWaalsContact O-CG 3.31Å; L235-L239 WeakPolarHBondContact O-CG 3.28Å; L235-L239 PolarHBondContact O-N 3.3Å; L239-A241 VanDerWaalsContact C-N 3.33Å; L239-A241 PolarHBondContact O-N 2.83Å; L239-A242 CarbonylContact O-C 3.57Å; L239-A242 WeakPolarHBondContact O-CA 3.33Å; L239-A242 VanDerWaalsContact O-CB 3.23Å; L239-A242 WeakPolarHBondContact O-CB 3.42Å; L239-A242 PolarHBondContact O-N 3.37Å; L239-R243 WeakPolarHBondContact O-CG 3.4Å; L239-R243 PolarHBondContact O-N 3.03Å; L239-E489 HydrophobicContact CB-CB 4.32Å; L239-E489 HydrophobicContact CB-CG 4.34Å; L239-E489 HydrophobicContact CD1-CG 4.24Å; L239-E562 HydrophobicContact CD1-CB 4.28Å; L239-E562 HydrophobicContact CD1-CG 3.89Å; L239-E562 VanDerWaalsContact CD1-OE1 3.3Å; L239-E562 WeakPolarHBondContact CD1-OE1 3.02Å; L239-Y563 HydrophobicContact CD2-CD2 3.9Å; L239-Y563 HydrophobicContact CD2-CE2 3.44Å; L239-Y563 VanDerWaalsContact CD2-CE2 3.44Å
240T98.6Very high98.5Very high0 Ų06.9 Ų6.90%04%0.035CC..Hα-helixtrans-63.8-38.6175.5-53.20000111.2F55 L91 S236 I237 A238 A242 R243 Y244 L486 L488 E489F55-T240 HydrophobicContact CE1-CG2 3.84Å; F55-T240 HydrophobicContact CZ-CG2 3.67Å; L91-T240 HydrophobicContact CD1-CG2 3.74Å; L91-T240 HydrophobicContact CD2-CG2 4.36Å; S236-T240 VanDerWaalsContact O-CB 3.24Å; S236-T240 WeakPolarHBondContact O-CB 3.27Å; S236-T240 PolarHBondContact O-N 3.29Å; S236-T240 PolarHBondContact O-OG1 3.26Å; I237-T240 PolarHBondContact O-N 2.83Å; A238-T240 VanDerWaalsContact C-N 3.25Å; A238-T240 PolarHBondContact O-N 3.1Å; T240-A242 VanDerWaalsContact C-N 3.28Å; T240-A242 PolarHBondContact O-N 3.44Å; T240-R243 WeakPolarHBondContact O-CA 3.33Å; T240-R243 VanDerWaalsContact O-CB 3.25Å; T240-R243 WeakPolarHBondContact O-CB 3.25Å; T240-R243 PolarHBondContact O-N 3.45Å; T240-Y244 HydrophobicContact CG2-CD2 4.12Å; T240-Y244 HydrophobicContact CG2-CE2 3.89Å; T240-Y244 VanDerWaalsContact O-CD2 3.22Å; T240-Y244 WeakPolarHBondContact O-CD2 3.41Å; T240-Y244 PolarHBondContact O-N 2.76Å; T240-Y244 VanDerWaalsContact O-N 3.1Å; T240-L486 HydrophobicContact CG2-CD2 3.62Å; T240-L488 HydrophobicContact CG2-CD2 4.19Å; T240-E489 PolarHBondContact OG1-N 3.18Å
241A98.8Very high98.5Very high0 Ų07.7 Ų7.70%04%0.038CC..Hα-helixtrans-58.5-41.3171.100000111.6A90 L91 I237 A238 L239 R243 Y244 D245 A246A90-A241 HydrophobicContact CB-CB 4.26Å; L91-A241 HydrophobicContact CB-CB 4Å; L91-A241 HydrophobicContact CD1-CB 4.5Å; I237-A241 PolarHBondContact O-N 2.88Å; A238-A241 WeakPolarHBondContact O-CA 3.22Å; A238-A241 VanDerWaalsContact O-CB 3.27Å; A238-A241 WeakPolarHBondContact O-CB 3.35Å; A238-A241 PolarHBondContact O-N 2.86Å; L239-A241 VanDerWaalsContact C-N 3.33Å; L239-A241 PolarHBondContact O-N 2.83Å; A241-R243 VanDerWaalsContact C-N 3.3Å; A241-R243 PolarHBondContact O-N 2.96Å; A241-Y244 CarbonylContact O-C 3.5Å; A241-Y244 VanDerWaalsContact O-C 3.27Å; A241-Y244 WeakPolarHBondContact O-CA 3.12Å; A241-Y244 PolarHBondContact O-N 2.96Å; A241-D245 PolarHBondContact O-N 3.27Å; A241-A246 HydrophobicContact CB-CB 4.01Å; A241-A246 WeakPolarHBondContact O-CB 3.44Å; A241-A246 PolarHBondContact O-N 2.85Å; A241-A246 VanDerWaalsContact O-N 3.07Å
242A98.6Very high98.6Very high5 Ų57.7 Ų7.74%0.0414%0.038CC..Hα-helixtrans-63-34.9173.600000112.4L59 A238 L239 T240 Y244 D245 I248L59-A242 HydrophobicContact CD2-CB 4.31Å; A238-A242 PolarHBondContact O-N 3.46Å; L239-A242 CarbonylContact O-C 3.57Å; L239-A242 WeakPolarHBondContact O-CA 3.33Å; L239-A242 VanDerWaalsContact O-CB 3.23Å; L239-A242 WeakPolarHBondContact O-CB 3.42Å; L239-A242 PolarHBondContact O-N 3.37Å; T240-A242 VanDerWaalsContact C-N 3.28Å; T240-A242 PolarHBondContact O-N 3.44Å; A242-Y244 PolarHBondContact O-N 3.04Å; A242-D245 PolarHBondContact O-N 3.49Å; A242-I248 HydrophobicContact CB-CD1 3.75Å; A242-I248 HydrophobicContact CB-CG1 3.97Å
243R97.8Very high98.6Very high17 Ų179.7 Ų9.76%0.0645%0.047CC..Hα-helixtrans-63-25.8170.5-58.8-55.2-171-178.53.6112.8R54 F55 R57 L239 T240 A241 D245 E489R54-R243 VanDerWaalsContact CD-O 3.24Å; R54-R243 WeakPolarHBondContact CD-O 3.23Å; R54-R243 HydrophobicContact CG-CB 4.18Å; R54-R243 VanDerWaalsContact CG-O 3.29Å; R54-R243 WeakPolarHBondContact CG-O 3.42Å; R54-R243 PolarHBondContact NH1-O 3.16Å; F55-R243 HydrophobicContact CD1-CG 3.81Å; F55-R243 HydrophobicContact CE1-CB 4.2Å; F55-R243 HydrophobicContact CE1-CG 3.77Å; F55-R243 HydrophobicContact CG-CG 4.41Å; F55-R243 HydrophobicContact CZ-CB 4.29Å; F55-R243 HydrophobicContact CZ-CG 4.35Å; F55-R243 PolarHBondContact O-NH2 3.38Å; R57-R243 PolarHBondContact O-NH1 2.88Å; R57-R243 PolarHBondContact O-NH2 3.01Å; L239-R243 WeakPolarHBondContact O-CG 3.4Å; L239-R243 PolarHBondContact O-N 3.03Å; T240-R243 WeakPolarHBondContact O-CA 3.33Å; T240-R243 VanDerWaalsContact O-CB 3.25Å; T240-R243 WeakPolarHBondContact O-CB 3.25Å; T240-R243 PolarHBondContact O-N 3.45Å; A241-R243 VanDerWaalsContact C-N 3.3Å; A241-R243 PolarHBondContact O-N 2.96Å; R243-D245 VanDerWaalsContact C-N 3.27Å; R243-E489 IonicContact CZ-OE1 3.35Å; R243-E489 IonicContact CZ-OE2 3.96Å; R243-E489 IonicContact NE-OE1 2.78Å; R243-E489 IonicContact NE-OE2 2.75Å; R243-E489 PolarHBondContact NE-OE2 2.96Å; R243-E489 IonicContact NH2-OE1 3.79Å; R243-E489 PolarHBondContact NH2-OE1 3.21Å; R243-E489 IonicContact NH2-OE2 3.03Å
244Y97.7Very high98.6Very high20 Ų2010 Ų108%0.0785%0.051CC..THydrogen-bonded Turntrans-92.824.7170.7-71.9-78.6000113.1F55 L91 T240 A241 A242 A246 R482 L486F55-Y244 HydrophobicContact CZ-CE2 4.36Å; L91-Y244 HydrophobicContact CD1-CD2 3.73Å; L91-Y244 HydrophobicContact CD1-CE2 4.18Å; T240-Y244 HydrophobicContact CG2-CD2 4.12Å; T240-Y244 HydrophobicContact CG2-CE2 3.89Å; T240-Y244 VanDerWaalsContact O-CD2 3.22Å; T240-Y244 WeakPolarHBondContact O-CD2 3.41Å; T240-Y244 PolarHBondContact O-N 2.76Å; T240-Y244 VanDerWaalsContact O-N 3.1Å; A241-Y244 CarbonylContact O-C 3.5Å; A241-Y244 VanDerWaalsContact O-C 3.27Å; A241-Y244 WeakPolarHBondContact O-CA 3.12Å; A241-Y244 PolarHBondContact O-N 2.96Å; A242-Y244 PolarHBondContact O-N 3.04Å; Y244-A246 PolarHBondContact O-N 3.06Å; Y244-R482 VanDerWaalsContact CD1-NH2 3.27Å; Y244-L486 HydrophobicContact CE2-CD1 3.76Å; Y244-L486 HydrophobicContact CE2-CD2 4.07Å; Y244-L486 HydrophobicContact CE2-CG 4.3Å; Y244-L486 WeakPolarHBondContact OH-CD1 3.11Å
245D97.7Very high98.6Very high93 Ų9311.7 Ų11.750%0.4976%0.06SC..THydrogen-bonded Turntrans66.620171.9-47.4-69.3000113.3R54 R68 A241 A242 R243R54-D245 IonicContact NH1-OD2 3.51Å; R54-D245 PolarHBondContact NH1-OD2 3.18Å; R68-D245 PolarHBondContact NH1-O 3.29Å; A241-D245 PolarHBondContact O-N 3.27Å; A242-D245 PolarHBondContact O-N 3.49Å; R243-D245 VanDerWaalsContact C-N 3.27Å
246A98.7Very high98.5Very high2 Ų215.6 Ų15.62%0.0178%0.079CC..  trans-68.9138.3166.400000110.5A94 T100 A241 Y244 I248A94-A246 HydrophobicContact CB-CB 3.88Å; T100-A246 HydrophobicContact CG2-CB 4.46Å; T100-A246 WeakPolarHBondContact O-CA 3.46Å; A241-A246 HydrophobicContact CB-CB 4.01Å; A241-A246 WeakPolarHBondContact O-CB 3.44Å; A241-A246 PolarHBondContact O-N 2.85Å; A241-A246 VanDerWaalsContact O-N 3.07Å; Y244-A246 PolarHBondContact O-N 3.06Å; A246-I248 HydrophobicContact CB-CG2 4Å
247A98.8Very high98.5Very high0 Ų016 Ų160%08%0.081CC..EExtended strand (participates in β ladder)trans-80.9117.3167.800000108.7H65 M69 F75 T100 C101 L102H65-A247 WeakPolarHBondContact ND1-CA 3.33Å; M69-A247 HydrophobicContact CE-CB 3.89Å; M69-A247 WeakPolarHBondContact CE-O 3.47Å; M69-A247 HydrophobicContact CG-CB 4.08Å; F75-A247 HydrophobicContact CE1-CB 4.39Å; T100-A247 PolarHBondContact O-N 3.12Å; C101-A247 CarbonylContact C-O 3.55Å; C101-A247 VanDerWaalsContact CA-O 3.26Å; C101-A247 WeakPolarHBondContact CA-O 3.36Å; L102-A247 PolarHBondContact N-O 3.26Å
248I98.8Very high98.4Very high0 Ų018 Ų180%09%0.091CC..EExtended strand (participates in β ladder)trans-124.9136.9-177.870.1167.2000110.8H65 L102 F108 A238 A242 A246 Y563H65-I248 VanDerWaalsContact CB-O 3.24Å; H65-I248 WeakPolarHBondContact CB-O 3.44Å; H65-I248 PolarHBondContact CD2-O 2.82Å; H65-I248 PolarHBondContact ND1-N 3.39Å; L102-I248 HydrophobicContact CB-CB 4.27Å; L102-I248 HydrophobicContact CB-CG2 3.83Å; L102-I248 HydrophobicContact CD2-CG2 4.26Å; L102-I248 WeakPolarHBondContact O-CA 3.49Å; F108-I248 HydrophobicContact CE2-CD1 4.3Å; F108-I248 HydrophobicContact CZ-CB 4.01Å; F108-I248 HydrophobicContact CZ-CD1 4.03Å; F108-I248 HydrophobicContact CZ-CG1 4.17Å; A238-I248 HydrophobicContact CB-CD1 4.2Å; A238-I248 WeakPolarHBondContact O-CD1 3.41Å; A242-I248 HydrophobicContact CB-CD1 3.75Å; A242-I248 HydrophobicContact CB-CG1 3.97Å; A246-I248 HydrophobicContact CB-CG2 4Å; I248-Y563 HydrophobicContact CD1-CD2 4.36Å; I248-Y563 HydrophobicContact CD1-CE2 3.69Å; I248-Y563 HydrophobicContact CG1-CE2 4.07Å
249A98.8Very high98.3Very high0 Ų021.8 Ų21.80%011%0.107CC..EExtended strand (participates in β ladder)trans-149.2126.4177.700000111.6L66 M69 L102 I103 E104 V252L66-A249 HydrophobicContact CD2-CB 3.98Å; M69-A249 HydrophobicContact CE-CB 3.76Å; M69-A249 HydrophobicContact SD-CB 3.95Å; L102-A249 PolarHBondContact O-N 3.3Å; I103-A249 WeakPolarHBondContact CA-O 3.46Å; E104-A249 PolarHBondContact N-O 3.37Å; A249-V252 HydrophobicContact CB-CG2 3.62Å
250N98.7Very high97.8Very high0 Ų027 Ų270%013%0.132CC..SBendtrans-83.1165.6164.466-14.8000110.7R62 E104 L106 D107 F108 V252 Y563R62-N250 PolarHBondContact NE-O 3.22Å; R62-N250 PolarHBondContact NE-OD1 3.25Å; R62-N250 PolarHBondContact NH2-O 3.22Å; E104-N250 CarbonylContact O-C 3.51Å; L106-N250 CarbonylContact O-C 3.59Å; L106-N250 VanDerWaalsContact O-CB 3.3Å; L106-N250 WeakPolarHBondContact O-CB 3.35Å; D107-N250 PolarHBondContact OD1-ND2 2.94Å; F108-N250 HydrophobicContact CD2-CB 3.94Å; F108-N250 HydrophobicContact CE2-CB 3.8Å; F108-N250 HydrophobicContact CG-CB 4.44Å; F108-N250 HydrophobicContact CZ-CB 4.17Å; N250-V252 PolarHBondContact O-N 3.25Å; N250-Y563 PolarHBondContact ND2-O 3.17Å
251Y98.7Very high97.1Very high18 Ų1832.4 Ų32.47%0.07117%0.167CC..SBendtrans56.235.7-173.3-60.8-81000113.3R62 E104 L106 D107 D290 R291 L292 C565 H566 D569R62-Y251 PolarHBondContact NH2-O 3.3Å; E104-Y251 CarbonylContact O-C 3.43Å; E104-Y251 WeakPolarHBondContact O-CA 3.31Å; E104-Y251 PolarHBondContact O-N 3.31Å; L106-Y251 PolarHBondContact O-N 2.93Å; D107-Y251 HydrophobicContact CB-CE2 4.04Å; Y251-D290 CarbonylContact O-C 3.6Å; Y251-R291 PolarHBondContact O-N 2.91Å; Y251-L292 HydrophobicContact CD1-CD2 4.13Å; Y251-L292 HydrophobicContact CD2-CD2 4.28Å; Y251-L292 HydrophobicContact CG-CD2 3.88Å; Y251-L292 HydrophobicContact CG-CG 4.22Å; Y251-C565 HydrophobicContact CD2-CB 3.88Å; Y251-C565 HydrophobicContact CE2-CB 3.72Å; Y251-H566 AromaticContact CE1-CD2 3.48Å; Y251-H566 VanDerWaalsContact CE1-CD2 3.48Å; Y251-H566 WeakPolarHBondContact CE1-CD2 3.18Å; Y251-H566 AromaticContact CE1-NE2 3.73Å; Y251-H566 AromaticContact CE2-CD2 3.83Å; Y251-H566 AromaticContact CZ-CD2 3.24Å; Y251-H566 AromaticContact CZ-NE2 3.99Å; Y251-H566 PolarHBondContact OH-CD2 3.34Å; Y251-D569 WeakPolarHBondContact CE2-OD2 3.31Å; Y251-D569 VanDerWaalsContact OH-CG 3.24Å; Y251-D569 PolarHBondContact OH-OD1 2.81Å; Y251-D569 PolarHBondContact OH-OD2 2.98Å; Y251-D569 VanDerWaalsContact OH-OD2 3.08Å
252V98.8Very high95.7Very high1 Ų133.6 Ų33.61%0.00618%0.175CC..EExtended strand (participates in β ladder)trans-121.1106.8174.2-178.50000108.7L66 I103 E104 R105 A249 N250 V288 R289 F297L66-V252 HydrophobicContact CD2-CG2 3.6Å; I103-V252 HydrophobicContact CB-CB 4.01Å; I103-V252 HydrophobicContact CB-CG1 3.94Å; I103-V252 HydrophobicContact CD1-CG1 4.46Å; I103-V252 HydrophobicContact CG2-CB 4.07Å; I103-V252 HydrophobicContact CG2-CG1 3.68Å; E104-V252 CarbonylContact C-O 3.26Å; E104-V252 VanDerWaalsContact C-O 3.28Å; E104-V252 PolarHBondContact O-N 3.02Å; R105-V252 PolarHBondContact N-O 2.9Å; A249-V252 HydrophobicContact CB-CG2 3.62Å; N250-V252 PolarHBondContact O-N 3.25Å; V252-V288 HydrophobicContact CG1-CB 3.69Å; V252-V288 HydrophobicContact CG1-CG1 4.23Å; V252-V288 HydrophobicContact CG1-CG2 3.82Å; V252-R289 WeakPolarHBondContact CA-O 3.43Å; V252-F297 HydrophobicContact CG1-CZ 4.49Å
253E98.7Very high94Very high43 Ų4345.5 Ų45.520%0.20122%0.219CC..EExtended strand (participates in β ladder)trans-90.9129.3-177-179.9173-14200110.7R105 V255 V288 R289 R291R105-E253 HydrophobicContact CB-CB 4.44Å; R105-E253 WeakPolarHBondContact CD-OE1 3.35Å; R105-E253 HydrophobicContact CG-CB 3.96Å; R105-E253 HydrophobicContact CG-CG 3.93Å; E253-V255 HydrophobicContact CG-CG1 4.22Å; E253-V255 PolarHBondContact O-N 3.15Å; E253-V288 CarbonylContact O-C 3.59Å; E253-V288 WeakPolarHBondContact O-CA 3.24Å; E253-V288 WeakPolarHBondContact O-CB 3.45Å; E253-R289 PolarHBondContact N-O 2.93Å; E253-R289 PolarHBondContact O-N 3.42Å; E253-R289 IonicContact OE2-NH1 2.77Å; E253-R289 PolarHBondContact OE2-NH1 3.07Å; E253-R289 VanDerWaalsContact OE2-NH1 3.15Å; E253-R291 HydrophobicContact CB-CG 4.07Å
254A98.7Very high91.8Very high8 Ų848.9 Ų48.97%0.06624%0.242CC..EExtended strand (participates in β ladder)trans-72.7117.7164.900000109.4I80 I103 I315I80-A254 HydrophobicContact CD1-CB 3.94Å; I80-A254 HydrophobicContact CG2-CB 3.91Å; I103-A254 HydrophobicContact CD1-CB 4.11Å; A254-I315 HydrophobicContact CB-CD1 4.16Å
255V98.3Very high89.2Confident34 Ų3457.2 Ų57.221%0.20628%0.278CS..EExtended strand (participates in β ladder)trans-101-25.4-179.3-64.30000112.5E253 R287 R289E253-V255 HydrophobicContact CG-CG1 4.22Å; E253-V255 PolarHBondContact O-N 3.15Å; V255-R287 HydrophobicContact CG2-CB 3.89Å; V255-R287 HydrophobicContact CG2-CG 3.68Å; V255-R287 WeakPolarHBondContact CG2-O 3.49Å; V255-R287 PolarHBondContact N-O 2.97Å; V255-R289 HydrophobicContact CG1-CB 3.84Å
256E98.1Very high86.7Confident86 Ų8655 Ų5540%0.40227%0.27SS..EExtended strand (participates in β ladder)trans-157.8140.3-179.5-174.1-178.2-179.600111.1A286 R287E256-A286 CarbonylContact O-C 3.55Å; E256-A286 VanDerWaalsContact O-CA 3.25Å; E256-A286 WeakPolarHBondContact O-CA 3.41Å; E256-A286 WeakPolarHBondContact O-CB 3.49Å; E256-R287 HydrophobicContact CB-CB 4.13Å; E256-R287 PolarHBondContact N-O 3.37Å; E256-R287 PolarHBondContact O-N 3.38Å; E256-R287 IonicContact OE2-CZ 2.72Å; E256-R287 VanDerWaalsContact OE2-CZ 3.3Å; E256-R287 IonicContact OE2-NE 2.68Å; E256-R287 PolarHBondContact OE2-NE 2.83Å; E256-R287 IonicContact OE2-NH2 3.03Å; E256-R287 PolarHBondContact OE2-NH2 3.12Å
257I98.1Very high84.1Confident9 Ų961.5 Ų61.55%0.04630%0.303CS..EExtended strand (participates in β ladder)trans-86.1123.8170.4-63.1-62.4000109.3I80 V283 A286 V304 I315 M318I80-I257 HydrophobicContact CD1-CD1 3.87Å; I257-V283 HydrophobicContact CG2-CB 4.25Å; I257-V283 HydrophobicContact CG2-CG1 3.66Å; I257-V283 HydrophobicContact CG2-CG2 3.61Å; I257-A286 HydrophobicContact CD1-CB 4.42Å; I257-V304 HydrophobicContact CD1-CG1 4.23Å; I257-I315 HydrophobicContact CD1-CG2 4.17Å; I257-M318 HydrophobicContact CG1-CB 3.92Å
258I97.1Very high81.3Confident41 Ų4164.4 Ų64.421%0.2132%0.324CS..EExtended strand (participates in β ladder)trans-93.8130.4-177.1-59.6172.1000109.5V283 S284 G285 R287 T298I258-V283 WeakPolarHBondContact O-CA 3.4Å; I258-S284 PolarHBondContact O-N 3.33Å; I258-S284 PolarHBondContact O-OG 3.36Å; I258-G285 PolarHBondContact N-O 2.85Å; I258-R287 HydrophobicContact CD1-CB 4.16Å; I258-R287 HydrophobicContact CG1-CB 4.45Å; I258-T298 HydrophobicContact CD1-CG2 3.3Å
259K95.6Very high78.8Confident80 Ų8070.8 Ų70.835%0.34836%0.357SS..EExtended strand (participates in β ladder)trans-116.7146.7177.5-59178-175.3-177.50111.2P281 T282 V283 D319K259-P281 HydrophobicContact CB-CB 3.81Å; K259-P281 HydrophobicContact CD-CB 4.17Å; K259-T282 CarbonylContact C-O 3.5Å; K259-T282 VanDerWaalsContact CA-O 3.23Å; K259-T282 WeakPolarHBondContact CA-O 3.32Å; K259-V283 HydrophobicContact CG-CG2 4.27Å; K259-D319 WeakPolarHBondContact CE-OD1 3.38Å; K259-D319 PolarHBondContact NZ-O 3.18Å; K259-D319 IonicContact NZ-OD1 3.46Å; K259-D319 PolarHBondContact NZ-OD1 2.91Å
260Q89.6Confident76.2Confident109 Ų10977.8 Ų77.851%0.50939%0.387SS..EExtended strand (participates in β ladder)trans-113.5152.1170.6-77.1175.36.600110.5S262 P281 T282 S284Q260-S262 PolarHBondContact O-N 2.88Å; Q260-P281 CarbonylContact O-C 3.58Å; Q260-P281 VanDerWaalsContact O-CA 3.29Å; Q260-P281 WeakPolarHBondContact O-CA 3.33Å; Q260-T282 PolarHBondContact N-O 3.24Å; Q260-T282 PolarHBondContact O-N 2.92Å; Q260-S284 WeakPolarHBondContact CG-OG 3.22Å
261P83.3Confident73.5Confident115 Ų11584 Ų8475%0.74743%0.431SS*.  trans-54.6128.8171-22.132.4000110.5R263P261-R263 PolarHBondContact O-N 3.25Å
262S69.7Low70.8Confident24 Ų2487.6 Ų87.617%0.16846%0.455CS..  trans-67.2131-178.21780000111.2Q260 T264 V280Q260-S262 PolarHBondContact O-N 2.88Å; S262-T264 PolarHBondContact OG-N 3.26Å; S262-T264 VanDerWaalsContact OG-N 3.08Å; S262-T264 PolarHBondContact OG-O 3.32Å; S262-T264 PolarHBondContact OG-OG1 3.48Å; S262-V280 WeakPolarHBondContact CB-O 3.34Å
263R61.3Low67.7Low256 Ų25695.4 Ų95.497%0.96650%0.495SS*.SBendtrans-77.7-9.4169.7-67.9-179.466.91620.8113P261P261-R263 PolarHBondContact O-N 3.25Å
264T51.9Low64.8Low88 Ų88100.4 Ų100.454%0.5452%0.519SS..SBendtrans-123.4142-172.734.40000111.7S262S262-T264 PolarHBondContact OG-N 3.26Å; S262-T264 VanDerWaalsContact OG-N 3.08Å; S262-T264 PolarHBondContact OG-O 3.32Å; S262-T264 PolarHBondContact OG-OG1 3.48Å
265K44.5Very low62Low195 Ų195105.8 Ų105.885%0.84855%0.551SS**  trans-59.7139.1169.8-68.4-176.2177.8-177.80109.5I267K265-I267 PolarHBondContact O-N 3.4Å
266S43.6Very low59.5Low47 Ų47108.4 Ų108.433%0.32957%0.567SS.*  trans-51.5128-179.6-1750000111
267I45.3Very low57.4Low138 Ų138110.1 Ų110.171%0.70859%0.589SS**  trans-95.6105.8169.2-61.8173.4000106.2K265 L269K265-I267 PolarHBondContact O-N 3.4Å; I267-L269 PolarHBondContact O-N 3.36Å
268S40.5Very low55.6Low61 Ų61117.2 Ų117.243%0.42762%0.622SS.*  trans-67.3111.1167.3-121.60000108E274S268-E274 PolarHBondContact OG-O 2.82Å
269L45.8Very low54.2Low133 Ų133119.2 Ų119.270%0.69664%0.638SS**  trans-82.40.8173-89163.6000112.7I267I267-L269 PolarHBondContact O-N 3.36Å
270K43.7Very low53.4Low148 Ų148117.5 Ų117.564%0.64363%0.634SS**SBendtrans-83.5131.5163.8-68.8-175.9177-1780107.3T272K270-T272 PolarHBondContact O-N 3.41Å
271S43.3Very low53.4Low130 Ų130115.2 Ų115.291%0.90963%0.628SS**SBendtrans-63.13.5178690000113.9
272T40.5Very low53.9Low94 Ų94111.3 Ų111.358%0.57760%0.602SS**SBendtrans-92.6107.8169.3-6.80000108.7K270 E274K270-T272 PolarHBondContact O-N 3.41Å; T272-E274 PolarHBondContact O-N 3.4Å
273L33.5Very low55.2Low164 Ų164110.6 Ų110.686%0.85960%0.597SS**  trans-62.873.7174.3-75.8150.8000111.3
274E39.3Very low56.9Low148 Ų14898.9 Ų98.969%0.69255%0.554SS**  trans-106.994.4158.6-74.9-178.9-17500107.2S268 T272 T276S268-E274 PolarHBondContact OG-O 2.82Å; T272-E274 PolarHBondContact O-N 3.4Å; E274-T276 PolarHBondContact O-N 2.75Å; E274-T276 VanDerWaalsContact O-N 3.17Å
275T38.6Very low59.1Low121 Ų12194.7 Ų94.774%0.74253%0.528SS*.  trans-71.499.4167.546.20000107.8S277T275-S277 PolarHBondContact O-N 2.96Å
276T46.7Very low61.7Low89 Ų8985.4 Ų85.455%0.54649%0.488SS..  trans-64.2126.9161.653.70000107.8E274 E278E274-T276 PolarHBondContact O-N 2.75Å; E274-T276 VanDerWaalsContact O-N 3.17Å; T276-E278 VanDerWaalsContact C-N 3.28Å; T276-E278 PolarHBondContact O-N 2.88Å
277S53.6Low64.3Low123 Ų12387.6 Ų87.686%0.8649%0.489SS*.SBendtrans-76.1-11.2-169.332.60000114.1T275T275-S277 PolarHBondContact O-N 2.96Å
278E61Low66.9Low157 Ų15781 Ų8173%0.73446%0.455SS*.SBendtrans-97.5135.6177.7-67.1-161.3167.100112.6T276 V280T276-E278 VanDerWaalsContact C-N 3.28Å; T276-E278 PolarHBondContact O-N 2.88Å; E278-V280 PolarHBondContact O-N 3.01Å; E278-V280 VanDerWaalsContact O-N 3.11Å
279P67.1Low69.6Low84 Ų8482 Ų8255%0.54545%0.45SS..  trans-64.2112.8175.524.9-30.7000110.4P281P279-P281 WeakPolarHBondContact O-CD 3.41Å
280V79.1Confident72.2Confident43 Ų4376 Ų7626%0.26142%0.419SS..PPolyproline II helixtrans-69.3125.9174.3-177.50000109.1S262 E278 T282 P444S262-V280 WeakPolarHBondContact CB-O 3.34Å; E278-V280 PolarHBondContact O-N 3.01Å; E278-V280 VanDerWaalsContact O-N 3.11Å; V280-T282 PolarHBondContact O-N 3.25Å; V280-P444 HydrophobicContact CG1-CB 4.2Å
281P89.5Confident74.8Confident61 Ų6174.7 Ų74.740%0.39641%0.41SS..PPolyproline II helixtrans-58.3137.6174.6-23.933.6000111.8K259 Q260 P279 S445K259-P281 HydrophobicContact CB-CB 3.81Å; K259-P281 HydrophobicContact CD-CB 4.17Å; Q260-P281 CarbonylContact O-C 3.58Å; Q260-P281 VanDerWaalsContact O-CA 3.29Å; Q260-P281 WeakPolarHBondContact O-CA 3.33Å; P279-P281 WeakPolarHBondContact O-CD 3.41Å; P281-S445 WeakPolarHBondContact O-CA 3.25Å; P281-S445 WeakPolarHBondContact O-CB 3.49Å
282T94.4Very high77.3Confident33 Ų3371.1 Ų71.120%0.20238%0.38CS..EExtended strand (participates in β ladder)trans-97.8138.6-179.750.10000110.9K259 Q260 V280 S284 S445 K446K259-T282 CarbonylContact C-O 3.5Å; K259-T282 VanDerWaalsContact CA-O 3.23Å; K259-T282 WeakPolarHBondContact CA-O 3.32Å; Q260-T282 PolarHBondContact N-O 3.24Å; Q260-T282 PolarHBondContact O-N 2.92Å; V280-T282 PolarHBondContact O-N 3.25Å; T282-S284 PolarHBondContact O-N 3.04Å; T282-S445 CarbonylContact C-O 3.56Å; T282-S445 WeakPolarHBondContact CA-O 3.45Å; T282-K446 HydrophobicContact CG2-CD 4.34Å
283V97Very high80Confident10 Ų1071.3 Ų71.36%0.06138%0.381CS..EExtended strand (participates in β ladder)trans-57.9137171.2178.30000109.9I257 I258 K259 V304 S445 L447I257-V283 HydrophobicContact CG2-CB 4.25Å; I257-V283 HydrophobicContact CG2-CG1 3.66Å; I257-V283 HydrophobicContact CG2-CG2 3.61Å; I258-V283 WeakPolarHBondContact O-CA 3.4Å; K259-V283 HydrophobicContact CG-CG2 4.27Å; V283-V304 HydrophobicContact CG1-CB 3.72Å; V283-V304 HydrophobicContact CG1-CG2 3.42Å; V283-V304 VanDerWaalsContact CG1-CG2 3.42Å; V283-S445 PolarHBondContact N-O 2.91Å; V283-L447 HydrophobicContact CG2-CB 4.17Å
284S97Very high83Confident9 Ų965.8 Ų65.86%0.06336%0.363CS..EExtended strand (participates in β ladder)trans-137.98.7-171.458.90000113.2I258 Q260 T282 A301I258-S284 PolarHBondContact O-N 3.33Å; I258-S284 PolarHBondContact O-OG 3.36Å; Q260-S284 WeakPolarHBondContact CG-OG 3.22Å; T282-S284 PolarHBondContact O-N 3.04Å; S284-A301 CarbonylContact C-O 3.53Å; S284-A301 VanDerWaalsContact CA-O 3.29Å; S284-A301 WeakPolarHBondContact CA-O 3.46Å; S284-A301 PolarHBondContact O-N 3.12Å; S284-A301 VanDerWaalsContact O-O 3.06Å
285G98Very high85.8Confident0 Ų065.2 Ų65.20%036%0.359CS..EExtended strand (participates in β ladder)trans145.1-165.6-176.500000112.7I258 I299I258-G285 PolarHBondContact N-O 2.85Å; G285-I299 CarbonylContact C-O 3.43Å; G285-I299 WeakPolarHBondContact CA-O 3.18Å
286A98.5Very high88.7Confident0 Ų062.8 Ų62.80%034%0.339CS..EExtended strand (participates in β ladder)trans-142.7145.617500000110.9L78 E256 I257 V288 I299L78-A286 HydrophobicContact CD2-CB 3.75Å; E256-A286 CarbonylContact O-C 3.55Å; E256-A286 VanDerWaalsContact O-CA 3.25Å; E256-A286 WeakPolarHBondContact O-CA 3.41Å; E256-A286 WeakPolarHBondContact O-CB 3.49Å; I257-A286 HydrophobicContact CD1-CB 4.42Å; A286-V288 HydrophobicContact CB-CG1 4.23Å; A286-I299 PolarHBondContact N-O 2.84Å; A286-I299 PolarHBondContact O-N 3.41Å
287R98.6Very high91.1Very high93 Ų9359.9 Ų59.935%0.35132%0.319SS..EExtended strand (participates in β ladder)trans-80.8132.4161-173.8166.355.2128.9-11.4107.1V255 E256 I258 E296V255-R287 HydrophobicContact CG2-CB 3.89Å; V255-R287 HydrophobicContact CG2-CG 3.68Å; V255-R287 WeakPolarHBondContact CG2-O 3.49Å; V255-R287 PolarHBondContact N-O 2.97Å; E256-R287 HydrophobicContact CB-CB 4.13Å; E256-R287 PolarHBondContact N-O 3.37Å; E256-R287 PolarHBondContact O-N 3.38Å; E256-R287 IonicContact OE2-CZ 2.72Å; E256-R287 VanDerWaalsContact OE2-CZ 3.3Å; E256-R287 IonicContact OE2-NE 2.68Å; E256-R287 PolarHBondContact OE2-NE 2.83Å; E256-R287 IonicContact OE2-NH2 3.03Å; E256-R287 PolarHBondContact OE2-NH2 3.12Å; I258-R287 HydrophobicContact CD1-CB 4.16Å; I258-R287 HydrophobicContact CG1-CB 4.45Å; R287-E296 IonicContact CZ-OE2 3.77Å; R287-E296 IonicContact NH1-OE2 3.31Å; R287-E296 PolarHBondContact NH1-OE2 2.86Å
288V98.8Very high93.3Very high0 Ų056.7 Ų56.70%029%0.294CS..EExtended strand (participates in β ladder)trans-128.6156.5-175.2-57.70000111I103 V252 E253 A286 E296 F297 I299I103-V288 HydrophobicContact CD1-CG1 3.55Å; V252-V288 HydrophobicContact CG1-CB 3.69Å; V252-V288 HydrophobicContact CG1-CG1 4.23Å; V252-V288 HydrophobicContact CG1-CG2 3.82Å; E253-V288 CarbonylContact O-C 3.59Å; E253-V288 WeakPolarHBondContact O-CA 3.24Å; E253-V288 WeakPolarHBondContact O-CB 3.45Å; A286-V288 HydrophobicContact CB-CG1 4.23Å; V288-E296 CarbonylContact O-C 3.52Å; V288-E296 WeakPolarHBondContact O-CA 3.07Å; V288-F297 HydrophobicContact CG2-CD1 4.17Å; V288-F297 HydrophobicContact CG2-CD2 3.64Å; V288-F297 HydrophobicContact CG2-CE1 3.89Å; V288-F297 HydrophobicContact CG2-CE2 3.31Å; V288-F297 HydrophobicContact CG2-CG 4.06Å; V288-F297 HydrophobicContact CG2-CZ 3.45Å; V288-F297 VanDerWaalsContact CG2-CZ 3.45Å; V288-F297 WeakPolarHBondContact CG2-O 3.27Å; V288-F297 PolarHBondContact N-O 3.46Å; V288-F297 PolarHBondContact O-N 3.34Å; V288-I299 HydrophobicContact CG1-CD1 4.08Å; V288-I299 HydrophobicContact CG1-CG1 4.39Å; V288-I299 HydrophobicContact CG2-CD1 4.02Å; V288-I299 HydrophobicContact CG2-CG1 4.01Å
289R98.7Very high95.1Very high83 Ų8349.2 Ų49.231%0.31326%0.259SS..EExtended strand (participates in β ladder)trans-122.6124175.9-173.5-175.3-60.7132.1-4.5109.9V252 E253 V255 R291 E296V252-R289 WeakPolarHBondContact CA-O 3.43Å; E253-R289 PolarHBondContact N-O 2.93Å; E253-R289 PolarHBondContact O-N 3.42Å; E253-R289 IonicContact OE2-NH1 2.77Å; E253-R289 PolarHBondContact OE2-NH1 3.07Å; E253-R289 VanDerWaalsContact OE2-NH1 3.15Å; V255-R289 HydrophobicContact CG1-CB 3.84Å; R289-R291 PolarHBondContact O-N 2.62Å; R289-E296 HydrophobicContact CB-CG 3.94Å; R289-E296 HydrophobicContact CG-CG 3.93Å; R289-E296 IonicContact CZ-OE1 3.1Å; R289-E296 VanDerWaalsContact CZ-OE1 3.25Å; R289-E296 IonicContact NE-OE1 3.68Å; R289-E296 PolarHBondContact NE-OE1 3.31Å; R289-E296 IonicContact NH2-OE1 2.81Å; R289-E296 PolarHBondContact NH2-OE1 3.4Å
290D98.6Very high96.6Very high7 Ų747.4 Ų47.44%0.03725%0.245CC..EExtended strand (participates in β ladder)trans-70.8112.7164.9175.59.4000108.7R62 Y251 L292 T293 G294 K295 F297R62-D290 IonicContact CZ-OD1 3.52Å; R62-D290 IonicContact NH1-OD1 3.6Å; R62-D290 PolarHBondContact NH1-OD1 3.43Å; R62-D290 IonicContact NH1-OD2 3.58Å; R62-D290 IonicContact NH2-OD1 3.32Å; R62-D290 PolarHBondContact NH2-OD1 3.14Å; Y251-D290 CarbonylContact O-C 3.6Å; D290-L292 PolarHBondContact O-N 2.78Å; D290-L292 WeakPolarHBondContact OD1-CB 3.29Å; D290-L292 PolarHBondContact OD1-N 2.98Å; D290-T293 WeakPolarHBondContact CB-OG1 3.45Å; D290-T293 PolarHBondContact O-N 3.4Å; D290-T293 VanDerWaalsContact OD2-CG2 3.26Å; D290-T293 WeakPolarHBondContact OD2-CG2 3.41Å; D290-T293 PolarHBondContact OD2-OG1 3.32Å; D290-G294 VanDerWaalsContact O-CA 3.24Å; D290-G294 WeakPolarHBondContact O-CA 3.42Å; D290-G294 PolarHBondContact O-N 3.09Å; D290-K295 PolarHBondContact N-O 3.2Å; D290-F297 HydrophobicContact CB-CE1 4.46Å
291R98.1Very high97.5Very high120 Ų12045.4 Ų45.445%0.45323%0.233SC..THydrogen-bonded Turntrans-73.5-14.5-177.6-64-159.870.2-152.4-1.5113.6R105 L106 Y251 E253 R289R105-R291 VanDerWaalsContact O-CD 3.29Å; R105-R291 WeakPolarHBondContact O-CD 3.38Å; L106-R291 VanDerWaalsContact CD2-NH1 3.32Å; Y251-R291 PolarHBondContact O-N 2.91Å; E253-R291 HydrophobicContact CB-CG 4.07Å; R289-R291 PolarHBondContact O-N 2.62Å
292L96.8Very high97.9Very high55 Ų5549 Ų4929%0.28824%0.238SC..THydrogen-bonded Turntrans-81.3-34.6175.2-57.3-172.4000112.1Y251 D290 C565 H566Y251-L292 HydrophobicContact CD1-CD2 4.13Å; Y251-L292 HydrophobicContact CD2-CD2 4.28Å; Y251-L292 HydrophobicContact CG-CD2 3.88Å; Y251-L292 HydrophobicContact CG-CG 4.22Å; D290-L292 PolarHBondContact O-N 2.78Å; D290-L292 WeakPolarHBondContact OD1-CB 3.29Å; D290-L292 PolarHBondContact OD1-N 2.98Å; L292-C565 HydrophobicContact CD1-CB 3.74Å; L292-C565 HydrophobicContact CD2-CB 4.34Å; L292-H566 VanDerWaalsContact CD2-NE2 3.29Å; L292-H566 WeakPolarHBondContact CD2-NE2 3.48Å
293T96.4Very high98.1Very high98 Ų9847.4 Ų47.460%0.60123%0.229SC*.THydrogen-bonded Turntrans-110.2-16.8-175.662.50000114D290 K295D290-T293 WeakPolarHBondContact CB-OG1 3.45Å; D290-T293 PolarHBondContact O-N 3.4Å; D290-T293 VanDerWaalsContact OD2-CG2 3.26Å; D290-T293 WeakPolarHBondContact OD2-CG2 3.41Å; D290-T293 PolarHBondContact OD2-OG1 3.32Å; T293-K295 PolarHBondContact O-N 2.91Å; T293-K295 PolarHBondContact OG1-N 2.82Å
294G97.6Very high98.1Very high47 Ų4747 Ų4749%0.48523%0.226SC..  trans76.9-2.8-172.300000114.2D290 E296D290-G294 VanDerWaalsContact O-CA 3.24Å; D290-G294 WeakPolarHBondContact O-CA 3.42Å; D290-G294 PolarHBondContact O-N 3.09Å; G294-E296 PolarHBondContact O-N 3.36Å
295K98Very high98.2Very high137 Ų13746.6 Ų46.660%0.59622%0.223SC*.  trans-70.4131-177.7-176.2178.5176.6-176.40110.9D290 T293D290-K295 PolarHBondContact N-O 3.2Å; T293-K295 PolarHBondContact O-N 2.91Å; T293-K295 PolarHBondContact OG1-N 2.82Å
296E98.5Very high98.3Very high70 Ų7046.6 Ų46.633%0.32722%0.223SC..EExtended strand (participates in β ladder)trans-98.4145.8170.8-64-171.2-177.800111.8R287 V288 R289 G294R287-E296 IonicContact CZ-OE2 3.77Å; R287-E296 IonicContact NH1-OE2 3.31Å; R287-E296 PolarHBondContact NH1-OE2 2.86Å; V288-E296 CarbonylContact O-C 3.52Å; V288-E296 WeakPolarHBondContact O-CA 3.07Å; R289-E296 HydrophobicContact CB-CG 3.94Å; R289-E296 HydrophobicContact CG-CG 3.93Å; R289-E296 IonicContact CZ-OE1 3.1Å; R289-E296 VanDerWaalsContact CZ-OE1 3.25Å; R289-E296 IonicContact NE-OE1 3.68Å; R289-E296 PolarHBondContact NE-OE1 3.31Å; R289-E296 IonicContact NH2-OE1 2.81Å; R289-E296 PolarHBondContact NH2-OE1 3.4Å; G294-E296 PolarHBondContact O-N 3.36Å
297F98.5Very high98.3Very high27 Ų2746.9 Ų46.912%0.11823%0.226CC..EExtended strand (participates in β ladder)trans-156.4173.217458.8-85.7000110L66 M69 A70 V252 V288 D290 I299L66-F297 HydrophobicContact CD2-CE1 4.3Å; L66-F297 HydrophobicContact CD2-CZ 3.83Å; M69-F297 HydrophobicContact CB-CE2 3.9Å; A70-F297 HydrophobicContact CB-CB 4.19Å; A70-F297 HydrophobicContact CB-CD2 3.59Å; A70-F297 HydrophobicContact CB-CE2 4.06Å; A70-F297 HydrophobicContact CB-CG 3.87Å; V252-F297 HydrophobicContact CG1-CZ 4.49Å; V288-F297 HydrophobicContact CG2-CD1 4.17Å; V288-F297 HydrophobicContact CG2-CD2 3.64Å; V288-F297 HydrophobicContact CG2-CE1 3.89Å; V288-F297 HydrophobicContact CG2-CE2 3.31Å; V288-F297 HydrophobicContact CG2-CG 4.06Å; V288-F297 HydrophobicContact CG2-CZ 3.45Å; V288-F297 VanDerWaalsContact CG2-CZ 3.45Å; V288-F297 WeakPolarHBondContact CG2-O 3.27Å; V288-F297 PolarHBondContact N-O 3.46Å; V288-F297 PolarHBondContact O-N 3.34Å; D290-F297 HydrophobicContact CB-CE1 4.46Å; F297-I299 HydrophobicContact CD2-CG1 4.27Å; F297-I299 HydrophobicContact CE2-CD1 4.19Å; F297-I299 HydrophobicContact CE2-CG1 3.87Å
298T98.6Very high98.2Very high56 Ų5643.7 Ų43.734%0.34422%0.217SC..EExtended strand (participates in β ladder)trans-110.5134.8-178.6-67.30000110.5I258 N300I258-T298 HydrophobicContact CD1-CG2 3.3Å; T298-N300 WeakPolarHBondContact CG2-OD1 3.27Å
299I98.7Very high98.1Very high0 Ų044.7 Ų44.70%023%0.227CC..EExtended strand (participates in β ladder)trans-104.3118.9166.7-56.1178.7000107.7M69 F75 L78 C101 I103 G285 A286 V288 F297M69-I299 HydrophobicContact CB-CD1 3.93Å; M69-I299 HydrophobicContact CB-CG1 4.06Å; M69-I299 HydrophobicContact CG-CD1 4.07Å; M69-I299 HydrophobicContact SD-CD1 3.98Å; F75-I299 HydrophobicContact CD2-CG2 3.95Å; F75-I299 HydrophobicContact CE2-CG2 4.27Å; L78-I299 HydrophobicContact CD1-CD1 4.2Å; L78-I299 HydrophobicContact CD1-CG2 4.24Å; L78-I299 HydrophobicContact CD2-CB 4.2Å; L78-I299 HydrophobicContact CD2-CG2 4.17Å; C101-I299 HydrophobicContact CB-CG2 4.38Å; I103-I299 HydrophobicContact CG2-CD1 3.79Å; G285-I299 CarbonylContact C-O 3.43Å; G285-I299 WeakPolarHBondContact CA-O 3.18Å; A286-I299 PolarHBondContact N-O 2.84Å; A286-I299 PolarHBondContact O-N 3.41Å; V288-I299 HydrophobicContact CG1-CD1 4.08Å; V288-I299 HydrophobicContact CG1-CG1 4.39Å; V288-I299 HydrophobicContact CG2-CD1 4.02Å; V288-I299 HydrophobicContact CG2-CG1 4.01Å; F297-I299 HydrophobicContact CD2-CG1 4.27Å; F297-I299 HydrophobicContact CE2-CD1 4.19Å; F297-I299 HydrophobicContact CE2-CG1 3.87Å
300N98.5Very high98Very high47 Ų4741.1 Ų41.125%0.25121%0.214SC..EExtended strand (participates in β ladder)trans-87.3130.5176-61.3-45.1000109.7G72 L74 F75 T298G72-N300 PolarHBondContact O-ND2 3.44Å; L74-N300 HydrophobicContact CD1-CB 4Å; F75-N300 WeakPolarHBondContact CD2-O 3.35Å; F75-N300 PolarHBondContact N-O 3.26Å; T298-N300 WeakPolarHBondContact CG2-OD1 3.27Å
301A98.3Very high97.9Very high0 Ų042.6 Ų42.60%022%0.221CC..EExtended strand (participates in β ladder)trans-147143.7178.400000112.8F75 L78 S284 C303 V304F75-A301 HydrophobicContact CB-CB 4.31Å; F75-A301 CarbonylContact O-C 3.6Å; F75-A301 VanDerWaalsContact O-CA 3.23Å; F75-A301 WeakPolarHBondContact O-CA 3.39Å; L78-A301 HydrophobicContact CB-CB 3.56Å; S284-A301 CarbonylContact C-O 3.53Å; S284-A301 VanDerWaalsContact CA-O 3.29Å; S284-A301 WeakPolarHBondContact CA-O 3.46Å; S284-A301 PolarHBondContact O-N 3.12Å; S284-A301 VanDerWaalsContact O-O 3.06Å; A301-C303 VanDerWaalsContact C-N 3.33Å; A301-V304 HydrophobicContact CB-CG2 4.41Å
302R97.7Very high97.9Very high136 Ų13636.9 Ų36.951%0.51320%0.199SC..EExtended strand (participates in β ladder)trans-69.5-32174.5-63.9176.6178-92.1-2.5112.5L74 F75 D76 C473 L475L74-R302 HydrophobicContact CD1-CG 4.24Å; L74-R302 HydrophobicContact CD2-CG 4.19Å; L74-R302 HydrophobicContact CG-CG 4.18Å; F75-R302 PolarHBondContact O-N 3.01Å; D76-R302 IonicContact OD1-NE 3.08Å; R302-C473 PolarHBondContact O-SG 2.91Å; R302-L475 HydrophobicContact CB-CD2 3.78Å
303C98.3Very high97.9Very high1 Ų134.9 Ų34.91%0.00719%0.189CC..EExtended strand (participates in β ladder)trans-133.8133.2178.5-172.20000109.4D76 V77 L78 A301 C473 L475D76-C303 WeakPolarHBondContact O-CB 3.26Å; D76-C303 PolarHBondContact O-N 3.43Å; V77-C303 CarbonylContact C-O 3.46Å; V77-C303 WeakPolarHBondContact CA-O 3.39Å; L78-C303 PolarHBondContact N-O 3.03Å; A301-C303 VanDerWaalsContact C-N 3.33Å; C303-C473 HydrophobicContact CB-CB 3.88Å; C303-L475 HydrophobicContact CB-CD1 4.11Å; C303-L475 HydrophobicContact CB-CD2 4.38Å
304V98.8Very high97.9Very high1 Ų132.6 Ų32.61%0.00618%0.176CC..EExtended strand (participates in β ladder)trans-113.9127.5171.1-179.70000108.2L78 I80 I257 V283 A301 L447 I448L78-V304 HydrophobicContact CB-CG2 4.31Å; L78-V304 HydrophobicContact CD2-CG2 4.28Å; L78-V304 CarbonylContact O-C 3.59Å; L78-V304 WeakPolarHBondContact O-CA 3.29Å; I80-V304 HydrophobicContact CD1-CG1 3.67Å; I80-V304 HydrophobicContact CG1-CG1 4.13Å; I257-V304 HydrophobicContact CD1-CG1 4.23Å; V283-V304 HydrophobicContact CG1-CB 3.72Å; V283-V304 HydrophobicContact CG1-CG2 3.42Å; V283-V304 VanDerWaalsContact CG1-CG2 3.42Å; A301-V304 HydrophobicContact CB-CG2 4.41Å; V304-L447 HydrophobicContact CB-CD1 4.04Å; V304-L447 HydrophobicContact CG1-CD1 3.78Å; V304-I448 PolarHBondContact O-N 3.25Å; V304-I448 VanDerWaalsContact O-N 3.15Å
305I98.9Very high97.9Very high0 Ų030.7 Ų30.70%016%0.155CC..EExtended strand (participates in β ladder)trans-114.9117.7-179.9-58.6172.1000108.5V77 L78 V79 I80 V89 I448 I450 T465 A469V77-I305 HydrophobicContact CG1-CD1 3.58Å; V77-I305 HydrophobicContact CG1-CG1 4.21Å; L78-I305 PolarHBondContact O-N 3.15Å; V79-I305 WeakPolarHBondContact CA-O 3.35Å; I80-I305 PolarHBondContact N-O 2.8Å; V89-I305 HydrophobicContact CG1-CD1 3.54Å; V89-I305 HydrophobicContact CG1-CG2 4.25Å; I305-I448 CarbonylContact C-O 3.54Å; I305-I448 VanDerWaalsContact CA-O 3.31Å; I305-I448 WeakPolarHBondContact CA-O 3.42Å; I305-I448 HydrophobicContact CG1-CB 4.33Å; I305-I450 HydrophobicContact CG2-CG2 4.11Å; I305-T465 HydrophobicContact CD1-CG2 4.15Å; I305-T465 HydrophobicContact CG2-CG2 3.66Å; I305-A469 HydrophobicContact CD1-CB 4.06Å
306N98.8Very high97.8Very high0 Ų024.5 Ų24.50%013%0.128CC..EExtended strand (participates in β ladder)trans-86.4115.4172.2173.725.9000110T308 T312 I315 L447 I448 T449 I450N306-T308 WeakPolarHBondContact OD1-CG2 3.31Å; N306-T308 PolarHBondContact OD1-N 2.75Å; N306-T308 PolarHBondContact OD1-OG1 2.6Å; N306-T312 PolarHBondContact ND2-O 2.86Å; N306-T312 PolarHBondContact ND2-OG1 3.4Å; N306-T312 VanDerWaalsContact ND2-OG1 3.09Å; N306-I315 HydrophobicContact CB-CB 4.3Å; N306-I315 HydrophobicContact CB-CG2 3.79Å; N306-L447 HydrophobicContact CB-CD1 4.44Å; N306-I448 PolarHBondContact N-O 3.3Å; N306-T449 HydrophobicContact CB-CG2 4.38Å; N306-T449 WeakPolarHBondContact ND2-CG2 3.32Å; N306-T449 PolarHBondContact ND2-OG1 3.32Å; N306-I450 WeakPolarHBondContact O-CG2 3.48Å; N306-I450 PolarHBondContact O-N 3.38Å
307A98.4Very high97.7Very high7 Ų724.6 Ų24.66%0.05813%0.129CC..  trans-130.734.5179.400000111.6V79 I80 G309 I450V79-A307 HydrophobicContact CG1-CB 4.26Å; I80-A307 CarbonylContact O-C 3.37Å; I80-A307 WeakPolarHBondContact O-CA 3.39Å; I80-A307 PolarHBondContact O-N 2.83Å; A307-G309 PolarHBondContact O-N 2.97Å; A307-I450 HydrophobicContact CB-CG2 3.68Å
308T98Very high97.7Very high26 Ų2627 Ų2716%0.1614%0.141CC..  trans-8416.3-170.960.40000114.8I80 N306 F311 T312 I315I80-T308 HydrophobicContact CB-CG2 4.3Å; I80-T308 HydrophobicContact CG2-CG2 3.7Å; I80-T308 VanDerWaalsContact O-CG2 3.29Å; I80-T308 WeakPolarHBondContact O-CG2 3.37Å; N306-T308 WeakPolarHBondContact OD1-CG2 3.31Å; N306-T308 PolarHBondContact OD1-N 2.75Å; N306-T308 PolarHBondContact OD1-OG1 2.6Å; T308-F311 WeakPolarHBondContact O-CB 3.34Å; T308-F311 PolarHBondContact O-N 3.31Å; T308-F311 PolarHBondContact OG1-O 2.89Å; T308-T312 WeakPolarHBondContact OG1-CA 3.47Å; T308-T312 PolarHBondContact OG1-N 3.3Å; T308-T312 VanDerWaalsContact OG1-N 3.14Å; T308-I315 HydrophobicContact CG2-CG1 3.79Å
309G96.2Very high97.5Very high20 Ų2024.9 Ų24.921%0.20613%0.127CC..G310 helixtrans58.3-125.1173.300000112.1A307 F311 T312A307-G309 PolarHBondContact O-N 2.97Å; G309-F311 PolarHBondContact O-N 3.34Å; G309-F311 VanDerWaalsContact O-N 3.09Å; G309-T312 VanDerWaalsContact O-CB 3.28Å; G309-T312 WeakPolarHBondContact O-CB 3.42Å; G309-T312 PolarHBondContact O-N 2.93Å
310P96Very high97.3Very high8 Ų828.5 Ų28.55%0.05215%0.147CC..G310 helixtrans-58.8-21.3178-25.535.4000114.4T112 T312 L379 I419 P421T112-P310 WeakPolarHBondContact OG1-CD 3.17Å; T112-P310 WeakPolarHBondContact OG1-CG 3.06Å; P310-T312 VanDerWaalsContact C-N 3.3Å; P310-L379 HydrophobicContact CB-CD1 3.51Å; P310-I419 HydrophobicContact CB-CB 4.42Å; P310-I419 HydrophobicContact CB-CG2 3.69Å; P310-I419 HydrophobicContact CG-CB 3.98Å; P310-I419 HydrophobicContact CG-CG2 3.6Å; P310-P421 HydrophobicContact CG-CB 4.03Å; P310-P421 HydrophobicContact CG-CG 4.5Å
311F97.2Very high97Very high39 Ų3935.2 Ų35.217%0.17117%0.174CC..G310 helixtrans-89.28179.2-59.4-91.7000113T308 G309 D313 S314 L379 D381T308-F311 WeakPolarHBondContact O-CB 3.34Å; T308-F311 PolarHBondContact O-N 3.31Å; T308-F311 PolarHBondContact OG1-O 2.89Å; G309-F311 PolarHBondContact O-N 3.34Å; G309-F311 VanDerWaalsContact O-N 3.09Å; F311-D313 PolarHBondContact O-N 3.35Å; F311-D313 VanDerWaalsContact O-N 3.12Å; F311-S314 WeakPolarHBondContact O-CB 3.44Å; F311-S314 PolarHBondContact O-N 3.35Å; F311-S314 PolarHBondContact O-OG 2.92Å; F311-L379 HydrophobicContact CD1-CD1 3.9Å; F311-L379 HydrophobicContact CD1-CD2 3.49Å; F311-L379 VanDerWaalsContact CD1-CD2 3.49Å; F311-L379 HydrophobicContact CD1-CG 3.77Å; F311-L379 HydrophobicContact CD2-CD1 4.16Å; F311-L379 HydrophobicContact CE1-CD1 3.66Å; F311-L379 HydrophobicContact CE1-CD2 3.8Å; F311-L379 HydrophobicContact CE1-CG 3.52Å; F311-L379 HydrophobicContact CE2-CD1 3.95Å; F311-L379 HydrophobicContact CG-CD1 4.13Å; F311-L379 HydrophobicContact CG-CD2 4.1Å; F311-L379 HydrophobicContact CG-CG 4.44Å; F311-L379 HydrophobicContact CZ-CD1 3.69Å; F311-L379 HydrophobicContact CZ-CG 4.04Å; F311-D381 WeakPolarHBondContact CE1-OD1 3.28Å; F311-D381 WeakPolarHBondContact CZ-OD1 3.37Å
312T97Very high96.6Very high0 Ų043.7 Ų43.70%021%0.214CC..Hα-helixtrans-51.7-40.9-175.2-168.90000113.1N306 T308 G309 P310 S314 I315 R316 I326 C327 T449 A451N306-T312 PolarHBondContact ND2-O 2.86Å; N306-T312 PolarHBondContact ND2-OG1 3.4Å; N306-T312 VanDerWaalsContact ND2-OG1 3.09Å; T308-T312 WeakPolarHBondContact OG1-CA 3.47Å; T308-T312 PolarHBondContact OG1-N 3.3Å; T308-T312 VanDerWaalsContact OG1-N 3.14Å; G309-T312 VanDerWaalsContact O-CB 3.28Å; G309-T312 WeakPolarHBondContact O-CB 3.42Å; G309-T312 PolarHBondContact O-N 2.93Å; P310-T312 VanDerWaalsContact C-N 3.3Å; T312-S314 VanDerWaalsContact C-N 3.29Å; T312-S314 PolarHBondContact O-N 2.9Å; T312-I315 PolarHBondContact O-N 3.39Å; T312-R316 WeakPolarHBondContact O-CG 3.06Å; T312-R316 PolarHBondContact O-N 3.14Å; T312-I326 HydrophobicContact CG2-CD1 4.13Å; T312-I326 HydrophobicContact CG2-CG1 4.1Å; T312-C327 HydrophobicContact CG2-CB 3.9Å; T312-T449 WeakPolarHBondContact OG1-CG2 3.2Å; T312-A451 HydrophobicContact CG2-CB 4.16Å
313D96.8Very high96.2Very high13 Ų1338.4 Ų38.47%0.0720%0.195CC..Hα-helixtrans-68.3-26.8-178-72.5-47.8000113.3F311 I315 R316 Q317 T325 I326 C327F311-D313 PolarHBondContact O-N 3.35Å; F311-D313 VanDerWaalsContact O-N 3.12Å; D313-I315 VanDerWaalsContact C-N 3.33Å; D313-I315 PolarHBondContact O-N 3.32Å; D313-R316 PolarHBondContact O-N 3.06Å; D313-R316 IonicContact OD1-CZ 3.55Å; D313-R316 IonicContact OD1-NH1 3.56Å; D313-R316 PolarHBondContact OD1-NH1 2.84Å; D313-Q317 VanDerWaalsContact O-CB 3.27Å; D313-Q317 WeakPolarHBondContact O-CB 2.93Å; D313-Q317 VanDerWaalsContact O-CG 3.26Å; D313-Q317 WeakPolarHBondContact O-CG 3.36Å; D313-Q317 PolarHBondContact O-N 3.03Å; D313-T325 HydrophobicContact CB-CG2 4.09Å; D313-T325 VanDerWaalsContact CG-CA 3.48Å; D313-T325 WeakPolarHBondContact OD1-CA 3.18Å; D313-T325 WeakPolarHBondContact OD2-CA 3.48Å; D313-T325 WeakPolarHBondContact OD2-CB 3.32Å; D313-I326 VanDerWaalsContact CG-N 3.34Å; D313-I326 VanDerWaalsContact OD1-CG1 3.29Å; D313-I326 WeakPolarHBondContact OD1-CG1 3.42Å; D313-I326 PolarHBondContact OD1-N 2.85Å; D313-I326 PolarHBondContact OD2-N 3.25Å; D313-C327 WeakPolarHBondContact OD2-CB 3.4Å; D313-C327 PolarHBondContact OD2-N 3.34Å
314S96.2Very high95.8Very high49 Ų4942.9 Ų42.934%0.34322%0.224SC..Hα-helixtrans-62.1-42175.369.40000111.5F311 T312 M318F311-S314 WeakPolarHBondContact O-CB 3.44Å; F311-S314 PolarHBondContact O-N 3.35Å; F311-S314 PolarHBondContact O-OG 2.92Å; T312-S314 VanDerWaalsContact C-N 3.29Å; T312-S314 PolarHBondContact O-N 2.9Å; S314-M318 VanDerWaalsContact O-CG 3.31Å; S314-M318 WeakPolarHBondContact O-CG 3.28Å; S314-M318 PolarHBondContact O-N 2.98Å
315I97.8Very high95.5Very high7 Ų747 Ų474%0.03625%0.249CC..Hα-helixtrans-77.2-38.9178.6-57.5-58.1000110.8I80 A254 I257 N306 T308 T312 D313 Q317 M318 D319 L447I80-I315 HydrophobicContact CD1-CG2 4.18Å; I80-I315 HydrophobicContact CG2-CD1 4.06Å; I80-I315 HydrophobicContact CG2-CG1 4.29Å; A254-I315 HydrophobicContact CB-CD1 4.16Å; I257-I315 HydrophobicContact CD1-CG2 4.17Å; N306-I315 HydrophobicContact CB-CB 4.3Å; N306-I315 HydrophobicContact CB-CG2 3.79Å; T308-I315 HydrophobicContact CG2-CG1 3.79Å; T312-I315 PolarHBondContact O-N 3.39Å; D313-I315 VanDerWaalsContact C-N 3.33Å; D313-I315 PolarHBondContact O-N 3.32Å; I315-Q317 VanDerWaalsContact C-N 3.33Å; I315-Q317 PolarHBondContact O-N 3.45Å; I315-M318 HydrophobicContact CD1-CE 3.97Å; I315-M318 HydrophobicContact CD1-SD 3.79Å; I315-M318 WeakPolarHBondContact O-CB 3.47Å; I315-M318 PolarHBondContact O-N 3.14Å; I315-D319 PolarHBondContact O-N 2.91Å; I315-L447 HydrophobicContact CG2-CD2 4.32Å
316R97.3Very high95.3Very high8 Ų847.2 Ų47.23%0.0325%0.25CS..Hα-helixtrans-56.9-50.2172.7-68.517876.9-117.3-0.3109.7T312 D313 M318 D319 N320 Q323 P324 D441 T449T312-R316 WeakPolarHBondContact O-CG 3.06Å; T312-R316 PolarHBondContact O-N 3.14Å; D313-R316 PolarHBondContact O-N 3.06Å; D313-R316 IonicContact OD1-CZ 3.55Å; D313-R316 IonicContact OD1-NH1 3.56Å; D313-R316 PolarHBondContact OD1-NH1 2.84Å; R316-M318 VanDerWaalsContact C-N 3.27Å; R316-M318 PolarHBondContact O-N 3.39Å; R316-D319 CarbonylContact O-C 3.53Å; R316-D319 WeakPolarHBondContact O-CA 3.36Å; R316-D319 VanDerWaalsContact O-CB 3.26Å; R316-D319 WeakPolarHBondContact O-CB 3.49Å; R316-D319 PolarHBondContact O-N 3.46Å; R316-N320 PolarHBondContact O-N 2.77Å; R316-Q323 HydrophobicContact CB-CG 4.41Å; R316-Q323 PolarHBondContact O-NE2 3.33Å; R316-P324 PolarHBondContact NH1-O 3.44Å; R316-D441 IonicContact NE-OD2 3.35Å; R316-D441 IonicContact NH2-OD2 3.59Å; R316-D441 PolarHBondContact NH2-OD2 3.19Å; R316-T449 HydrophobicContact CG-CG2 4.22Å
317Q96.7Very high95Very high72 Ų7248 Ų4834%0.33626%0.255SS..Hα-helixtrans-67-23.1-179.2-71174-10.400114.2D313 I315 D319 N320 K321 Q323D313-Q317 VanDerWaalsContact O-CB 3.27Å; D313-Q317 WeakPolarHBondContact O-CB 2.93Å; D313-Q317 VanDerWaalsContact O-CG 3.26Å; D313-Q317 WeakPolarHBondContact O-CG 3.36Å; D313-Q317 PolarHBondContact O-N 3.03Å; I315-Q317 VanDerWaalsContact C-N 3.33Å; I315-Q317 PolarHBondContact O-N 3.45Å; Q317-D319 VanDerWaalsContact C-N 3.29Å; Q317-N320 WeakPolarHBondContact CA-O 3.39Å; Q317-N320 CarbonylContact O-C 3.49Å; Q317-K321 WeakPolarHBondContact O-CG 3.28Å; Q317-K321 PolarHBondContact O-N 2.93Å; Q317-Q323 HydrophobicContact CG-CG 4.5Å
318M96.7Very high94.6Very high77 Ų7749.9 Ų49.938%0.37926%0.263SS..Hα-helixtrans-64.7-33.6165.9-69.7172.8-16600112.2I257 S314 I315 R316I257-M318 HydrophobicContact CG1-CB 3.92Å; S314-M318 VanDerWaalsContact O-CG 3.31Å; S314-M318 WeakPolarHBondContact O-CG 3.28Å; S314-M318 PolarHBondContact O-N 2.98Å; I315-M318 HydrophobicContact CD1-CE 3.97Å; I315-M318 HydrophobicContact CD1-SD 3.79Å; I315-M318 WeakPolarHBondContact O-CB 3.47Å; I315-M318 PolarHBondContact O-N 3.14Å; R316-M318 VanDerWaalsContact C-N 3.27Å; R316-M318 PolarHBondContact O-N 3.39Å
319D95.8Very high94.4Very high11 Ų1149.7 Ų49.76%0.05926%0.262CS..Hα-helixtrans-75.7-47.8173.7175.942.5000112K259 I315 R316 Q317 S443 S445 L447K259-D319 WeakPolarHBondContact CE-OD1 3.38Å; K259-D319 PolarHBondContact NZ-O 3.18Å; K259-D319 IonicContact NZ-OD1 3.46Å; K259-D319 PolarHBondContact NZ-OD1 2.91Å; I315-D319 PolarHBondContact O-N 2.91Å; R316-D319 CarbonylContact O-C 3.53Å; R316-D319 WeakPolarHBondContact O-CA 3.36Å; R316-D319 VanDerWaalsContact O-CB 3.26Å; R316-D319 WeakPolarHBondContact O-CB 3.49Å; R316-D319 PolarHBondContact O-N 3.46Å; Q317-D319 VanDerWaalsContact C-N 3.29Å; D319-S443 WeakPolarHBondContact OD2-CB 3.07Å; D319-S443 PolarHBondContact OD2-OG 2.83Å; D319-S445 WeakPolarHBondContact OD1-CB 3.43Å; D319-S445 PolarHBondContact OD1-OG 3.4Å; D319-S445 PolarHBondContact OD2-OG 3.2Å; D319-L447 HydrophobicContact CB-CB 4.5Å; D319-L447 HydrophobicContact CB-CD2 3.67Å
320N93.7Very high94.2Very high76 Ų7649 Ų4941%0.40625%0.254SS..  trans-146.7114174.11793.7000111R316 Q317 E322 Q323R316-N320 PolarHBondContact O-N 2.77Å; Q317-N320 WeakPolarHBondContact CA-O 3.39Å; Q317-N320 CarbonylContact O-C 3.49Å; N320-E322 PolarHBondContact O-N 2.96Å; N320-E322 PolarHBondContact OD1-N 3.41Å; N320-Q323 WeakPolarHBondContact O-CG 3.46Å; N320-Q323 PolarHBondContact O-N 3.32Å; N320-Q323 PolarHBondContact O-NE2 2.94Å
321K92.7Very high94.1Very high188 Ų18849.5 Ų49.582%0.81726%0.256SS*.THydrogen-bonded Turntrans-63.7-25.9-176.9-67.5-177.6179.5179.20114.1Q317 Q323Q317-K321 WeakPolarHBondContact O-CG 3.28Å; Q317-K321 PolarHBondContact O-N 2.93Å; K321-Q323 VanDerWaalsContact C-N 3.34Å
322E90.5Very high93.9Very high179 Ų17947.7 Ų47.784%0.83625%0.248SC*.THydrogen-bonded Turntrans-84.9-8-173.4-62.9-179.4173.800113.3N320N320-E322 PolarHBondContact O-N 2.96Å; N320-E322 PolarHBondContact OD1-N 3.41Å
323Q88.9Confident93.9Very high25 Ų2547.7 Ų47.712%0.11725%0.248CC..SBendtrans-76140-176.779.1-165.1-73.900112R316 Q317 N320 K321R316-Q323 HydrophobicContact CB-CG 4.41Å; R316-Q323 PolarHBondContact O-NE2 3.33Å; Q317-Q323 HydrophobicContact CG-CG 4.5Å; N320-Q323 WeakPolarHBondContact O-CG 3.46Å; N320-Q323 PolarHBondContact O-N 3.32Å; N320-Q323 PolarHBondContact O-NE2 2.94Å; K321-Q323 VanDerWaalsContact C-N 3.34Å
324P90Very high93.9Very high95 Ų9547.1 Ų47.162%0.61725%0.245SC*.PPolyproline II helixtrans-67.4150.6179.528.5-35.1000111.2R316R316-P324 PolarHBondContact NH1-O 3.44Å
325T92.9Very high93.9Very high87 Ų8744.8 Ų44.853%0.53423%0.229SC..PPolyproline II helixtrans-67135.6172.653.40000110.5D313D313-T325 HydrophobicContact CB-CG2 4.09Å; D313-T325 VanDerWaalsContact CG-CA 3.48Å; D313-T325 WeakPolarHBondContact OD1-CA 3.18Å; D313-T325 WeakPolarHBondContact OD2-CA 3.48Å; D313-T325 WeakPolarHBondContact OD2-CB 3.32Å
326I92.8Very high93.9Very high5 Ų544.5 Ų44.53%0.02623%0.227CC..  trans-104.1-22.2177.555.6161.4000112.3T312 D313 V423 R424 P426 I439 A451T312-I326 HydrophobicContact CG2-CD1 4.13Å; T312-I326 HydrophobicContact CG2-CG1 4.1Å; D313-I326 VanDerWaalsContact CG-N 3.34Å; D313-I326 VanDerWaalsContact OD1-CG1 3.29Å; D313-I326 WeakPolarHBondContact OD1-CG1 3.42Å; D313-I326 PolarHBondContact OD1-N 2.85Å; D313-I326 PolarHBondContact OD2-N 3.25Å; I326-V423 HydrophobicContact CB-CG1 4.12Å; I326-V423 HydrophobicContact CD1-CG1 3.96Å; I326-V423 HydrophobicContact CG1-CG1 4.3Å; I326-V423 CarbonylContact O-C 3.51Å; I326-V423 WeakPolarHBondContact O-CA 3.38Å; I326-R424 PolarHBondContact O-N 3.41Å; I326-P426 HydrophobicContact CG2-CB 3.93Å; I326-P426 HydrophobicContact CG2-CG 4.04Å; I326-I439 HydrophobicContact CD1-CD1 3.84Å; I326-A451 HydrophobicContact CD1-CB 4.04Å
327C92.9Very high93.9Very high15 Ų1544.2 Ų44.210%0.10123%0.226CC..EExtended strand (participates in β ladder)trans-86.6130.4-178.1-171.80000111.2T312 D313 P329 L422T312-C327 HydrophobicContact CG2-CB 3.9Å; D313-C327 WeakPolarHBondContact OD2-CB 3.4Å; D313-C327 PolarHBondContact OD2-N 3.34Å; C327-P329 WeakPolarHBondContact O-CD 3.42Å; C327-L422 CarbonylContact C-O 3.54Å; C327-L422 WeakPolarHBondContact CA-O 3.07Å
328Q91.5Very high93.8Very high48 Ų4841.9 Ų41.922%0.22422%0.217CC..EExtended strand (participates in β ladder)trans-113.888.4170.1-172169.5-0.500108.8E376 L422Q328-E376 PolarHBondContact NE2-OE1 2.84Å; Q328-L422 PolarHBondContact N-O 3.41Å; Q328-L422 VanDerWaalsContact O-CB 3.29Å; Q328-L422 WeakPolarHBondContact O-CB 3.39Å
329P93.2Very high93.6Very high21 Ų2139.1 Ų39.114%0.13621%0.209CC..EExtended strand (participates in β ladder)trans-66134.8-174.323.9-31.1000112.8C327 C377 I419 R420C327-P329 WeakPolarHBondContact O-CD 3.42Å; P329-C377 WeakPolarHBondContact CG-O 3.32Å; P329-C377 PolarHBondContact O-N 2.74Å; P329-I419 HydrophobicContact CB-CG2 3.48Å; P329-I419 VanDerWaalsContact CB-CG2 3.48Å; P329-R420 WeakPolarHBondContact CA-O 3.4Å
330S92.3Very high93.3Very high5 Ų544.7 Ų44.74%0.03523%0.23CC..EExtended strand (participates in β ladder)trans-122140.6171.61350000110.5D374 T375 I419 R420S330-D374 WeakPolarHBondContact CB-OD1 3.5Å; S330-D374 PolarHBondContact OG-OD1 3.12Å; S330-T375 CarbonylContact C-O 3.58Å; S330-T375 VanDerWaalsContact CA-O 3.31Å; S330-T375 WeakPolarHBondContact CA-O 3.33Å; S330-I419 CarbonylContact O-C 3.56Å; S330-I419 WeakPolarHBondContact O-CA 3.4Å; S330-R420 PolarHBondContact N-O 3.35Å; S330-R420 PolarHBondContact O-N 2.8Å
331L93.1Very high93.2Very high19 Ų1941.6 Ų41.610%0.09921%0.213CC..EExtended strand (participates in β ladder)trans-91.4135.4178.1-15974.1000110.2V333 D374 T375 C377 P383 A417 I419L331-V333 HydrophobicContact CD2-CG2 4.47Å; L331-D374 WeakPolarHBondContact O-CA 3.28Å; L331-T375 PolarHBondContact N-O 3.14Å; L331-T375 PolarHBondContact O-N 3.4Å; L331-C377 HydrophobicContact CB-CB 3.88Å; L331-P383 HydrophobicContact CD1-CB 3.71Å; L331-A417 HydrophobicContact CD1-CB 3.74Å; L331-A417 HydrophobicContact CD2-CB 4.03Å; L331-A417 HydrophobicContact CG-CB 3.88Å; L331-I419 HydrophobicContact CD1-CG1 3.97Å
332G93.3Very high93Very high1 Ų132.9 Ų32.91%0.0118%0.175CC..EExtended strand (participates in β ladder)trans-126.7121.5170.100000111.3T372 T373 A417 G418G332-T372 WeakPolarHBondContact CA-OG1 3.49Å; G332-T373 VanDerWaalsContact CA-O 3.29Å; G332-T373 WeakPolarHBondContact CA-O 3.5Å; G332-A417 WeakPolarHBondContact O-CA 3.41Å; G332-G418 PolarHBondContact N-O 2.96Å; G332-G418 PolarHBondContact O-N 3.37Å
333V96.1Very high92.7Very high0 Ų025.1 Ų25.10%014%0.14CC..EExtended strand (participates in β ladder)trans-98143.4178.71740000111.4L331 T372 T373 P385 E389 I393 W416 A417L331-V333 HydrophobicContact CD2-CG2 4.47Å; V333-T372 VanDerWaalsContact O-CA 3.29Å; V333-T372 WeakPolarHBondContact O-CA 3.39Å; V333-T372 PolarHBondContact O-OG1 2.65Å; V333-T373 HydrophobicContact CB-CG2 4.35Å; V333-T373 WeakPolarHBondContact CB-OG1 3.34Å; V333-T373 PolarHBondContact N-OG1 3.09Å; V333-T373 PolarHBondContact O-N 3.03Å; V333-P385 HydrophobicContact CG1-CB 3.8Å; V333-P385 HydrophobicContact CG2-CB 3.98Å; V333-E389 HydrophobicContact CB-CB 4.16Å; V333-E389 HydrophobicContact CG1-CB 4.22Å; V333-E389 HydrophobicContact CG2-CB 4.08Å; V333-E389 VanDerWaalsContact CG2-CD 3.42Å; V333-E389 HydrophobicContact CG2-CG 4.32Å; V333-E389 WeakPolarHBondContact CG2-OE1 3.49Å; V333-E389 WeakPolarHBondContact CG2-OE2 3.36Å; V333-I393 HydrophobicContact CB-CD1 4.42Å; V333-I393 HydrophobicContact CG1-CD1 4.03Å; V333-W416 VanDerWaalsContact CA-O 3.29Å; V333-W416 WeakPolarHBondContact CA-O 3.33Å; V333-A417 HydrophobicContact CG2-CB 3.86Å
334H97.3Very high92.6Very high2 Ų229.2 Ų29.21%0.00917%0.168CC..EExtended strand (participates in β ladder)trans-130.2157170.3-57.584.4000110.1T117 A370 S415 W416T117-H334 PolarHBondContact OG1-NE2 3.44Å; H334-A370 VanDerWaalsContact CA-O 3.27Å; H334-A370 WeakPolarHBondContact CA-O 3.31Å; H334-S415 VanDerWaalsContact O-CA 3.28Å; H334-S415 WeakPolarHBondContact O-CA 3.48Å; H334-W416 HydrophobicContact CB-CD2 4.02Å; H334-W416 HydrophobicContact CB-CE3 4.15Å; H334-W416 HydrophobicContact CB-CH2 3.5Å; H334-W416 HydrophobicContact CB-CZ2 3.32Å; H334-W416 HydrophobicContact CB-CZ3 3.88Å; H334-W416 AromaticContact CG-CE2 3.88Å; H334-W416 AromaticContact CG-CZ2 3.62Å; H334-W416 PolarHBondContact N-O 2.72Å; H334-W416 AromaticContact ND1-CE2 3.8Å; H334-W416 AromaticContact ND1-CZ2 3.92Å; H334-W416 AromaticContact ND1-NE1 3.45Å; H334-W416 PolarHBondContact ND1-NE1 3.47Å; H334-W416 PolarHBondContact O-N 2.95Å
335I97.3Very high92.5Very high0 Ų032.9 Ų32.90%017%0.174CC..EExtended strand (participates in β ladder)trans-126.5149.4172.966.6176.7000110.2L337 A370 V390 I393 L394 I397 V412 S414I335-L337 HydrophobicContact CD1-CD1 4.28Å; I335-L337 HydrophobicContact CD1-CD2 4.38Å; I335-L337 HydrophobicContact CD1-CG 4.23Å; I335-L337 HydrophobicContact CG1-CG 4.48Å; I335-A370 HydrophobicContact CD1-CB 4.41Å; I335-A370 HydrophobicContact CG1-CB 3.88Å; I335-A370 PolarHBondContact N-O 2.98Å; I335-A370 PolarHBondContact O-N 2.96Å; I335-V390 HydrophobicContact CG2-CB 4.43Å; I335-V390 HydrophobicContact CG2-CG1 4.2Å; I335-V390 HydrophobicContact CG2-CG2 4.01Å; I335-I393 HydrophobicContact CD1-CB 4.1Å; I335-I393 HydrophobicContact CD1-CG2 3.57Å; I335-I393 HydrophobicContact CG1-CG2 3.81Å; I335-I393 HydrophobicContact CG2-CD1 4.2Å; I335-L394 HydrophobicContact CD1-CD2 3.75Å; I335-L394 HydrophobicContact CD1-CG 4.14Å; I335-I397 HydrophobicContact CD1-CD1 3.96Å; I335-V412 HydrophobicContact CB-CG1 4.06Å; I335-V412 HydrophobicContact CD1-CG2 4.16Å; I335-V412 HydrophobicContact CG2-CG1 4.24Å; I335-S414 WeakPolarHBondContact CA-O 3.29Å
336I97.5Very high92.6Very high0 Ų029.3 Ų29.30%015%0.151CC..EExtended strand (participates in β ladder)trans-101.2134.9164.2-65.2-41.9000110.1W364 Y367 L369 V412 L413 S414 W416 F579 L580I336-W364 HydrophobicContact CD1-CE3 3.98Å; I336-W364 HydrophobicContact CD1-CZ3 4.23Å; I336-Y367 HydrophobicContact CG2-CD1 4.02Å; I336-Y367 HydrophobicContact CG2-CG 3.94Å; I336-L369 HydrophobicContact CD1-CB 3.72Å; I336-L369 HydrophobicContact CD1-CD1 4.41Å; I336-L369 HydrophobicContact CD1-CG 4.05Å; I336-V412 CarbonylContact O-C 3.51Å; I336-V412 WeakPolarHBondContact O-CA 3.41Å; I336-L413 HydrophobicContact CB-CB 4.48Å; I336-L413 HydrophobicContact CG2-CB 4.22Å; I336-L413 HydrophobicContact CG2-CD1 4.18Å; I336-L413 PolarHBondContact O-N 3.23Å; I336-S414 WeakPolarHBondContact CB-OG 3.38Å; I336-S414 WeakPolarHBondContact CG1-OG 3.4Å; I336-S414 PolarHBondContact N-O 2.87Å; I336-W416 HydrophobicContact CD1-CH2 3.79Å; I336-W416 HydrophobicContact CD1-CZ3 3.7Å; I336-W416 HydrophobicContact CG1-CH2 4.37Å; I336-W416 HydrophobicContact CG1-CZ3 3.78Å; I336-F579 WeakPolarHBondContact CG1-O 3.46Å; I336-L580 WeakPolarHBondContact CG2-O 3.44Å
337L95.6Very high92.6Very high2 Ų229.1 Ų29.11%0.0115%0.15CC..EExtended strand (participates in β ladder)trans-120162171.6-65.4172.1000110.5I335 Y341 S368 L394 I397 D411 V412I335-L337 HydrophobicContact CD1-CD1 4.28Å; I335-L337 HydrophobicContact CD1-CD2 4.38Å; I335-L337 HydrophobicContact CD1-CG 4.23Å; I335-L337 HydrophobicContact CG1-CG 4.48Å; L337-Y341 HydrophobicContact CB-CD2 3.65Å; L337-Y341 HydrophobicContact CB-CE2 4.31Å; L337-Y341 HydrophobicContact CB-CG 4.22Å; L337-Y341 HydrophobicContact CD1-CD2 4.17Å; L337-Y341 HydrophobicContact CD1-CG 4.13Å; L337-Y341 HydrophobicContact CG-CD2 4.38Å; L337-S368 PolarHBondContact N-O 3.15Å; L337-S368 PolarHBondContact O-N 3.47Å; L337-L394 HydrophobicContact CD2-CD2 4.18Å; L337-I397 HydrophobicContact CD1-CD1 3.48Å; L337-I397 VanDerWaalsContact CD1-CD1 3.48Å; L337-D411 HydrophobicContact CD2-CB 4.04Å; L337-V412 HydrophobicContact CD2-CG2 3.93Å
338P94.6Very high92.6Very high23 Ų2328.5 Ų28.515%0.14915%0.146CC..  trans-48.4142168.9-30.934000112.4Y340 Y341 S368 D411P338-Y340 HydrophobicContact CB-CD1 3.65Å; P338-Y340 HydrophobicContact CB-CE1 3.21Å; P338-Y340 HydrophobicContact CB-CE2 4.21Å; P338-Y340 HydrophobicContact CB-CG 4.29Å; P338-Y340 HydrophobicContact CG-CE1 3.92Å; P338-Y340 PolarHBondContact O-N 2.79Å; P338-Y341 HydrophobicContact CB-CD2 4.21Å; P338-Y341 HydrophobicContact CB-CE2 4.4Å; P338-Y341 HydrophobicContact CG-CD2 4.43Å; P338-Y341 HydrophobicContact CG-CE2 4.25Å; P338-Y341 WeakPolarHBondContact O-CD2 3.42Å; P338-Y341 PolarHBondContact O-N 3.18Å; P338-Y341 VanDerWaalsContact O-N 3.09Å; P338-S368 PolarHBondContact O-OG 3.36Å; P338-S368 VanDerWaalsContact O-OG 3.13Å; P338-D411 WeakPolarHBondContact CD-O 3.44Å
339G92.9Very high92.5Very high19 Ų1927 Ų2720%0.19614%0.139CC..G310 helixtrans-61-11.5-173.400000115.9Y341 N366G339-Y341 VanDerWaalsContact C-N 3.29Å; G339-Y341 PolarHBondContact O-N 3.42Å; G339-N366 WeakPolarHBondContact CA-O 3.28Å
340Y89.9Confident92Very high128 Ų12826 Ų2650%0.50213%0.133SC..G310 helixtrans-74.6-16.5176.156.7-108000113.4L211 P338 S342L211-Y340 WeakPolarHBondContact CD1-O 3.32Å; P338-Y340 HydrophobicContact CB-CD1 3.65Å; P338-Y340 HydrophobicContact CB-CE1 3.21Å; P338-Y340 HydrophobicContact CB-CE2 4.21Å; P338-Y340 HydrophobicContact CB-CG 4.29Å; P338-Y340 HydrophobicContact CG-CE1 3.92Å; P338-Y340 PolarHBondContact O-N 2.79Å; Y340-S342 VanDerWaalsContact C-N 3.27Å; Y340-S342 PolarHBondContact O-N 3.15Å
341Y91Very high91.3Very high11 Ų1127.3 Ų27.34%0.04314%0.141CC..G310 helixtrans-73.4-15.2178.5-77.2-73.6000114F209 L337 P338 G339 L401 I405 Q406 V407 D411F209-Y341 WeakPolarHBondContact CZ-O 3.33Å; L337-Y341 HydrophobicContact CB-CD2 3.65Å; L337-Y341 HydrophobicContact CB-CE2 4.31Å; L337-Y341 HydrophobicContact CB-CG 4.22Å; L337-Y341 HydrophobicContact CD1-CD2 4.17Å; L337-Y341 HydrophobicContact CD1-CG 4.13Å; L337-Y341 HydrophobicContact CG-CD2 4.38Å; P338-Y341 HydrophobicContact CB-CD2 4.21Å; P338-Y341 HydrophobicContact CB-CE2 4.4Å; P338-Y341 HydrophobicContact CG-CD2 4.43Å; P338-Y341 HydrophobicContact CG-CE2 4.25Å; P338-Y341 WeakPolarHBondContact O-CD2 3.42Å; P338-Y341 PolarHBondContact O-N 3.18Å; P338-Y341 VanDerWaalsContact O-N 3.09Å; G339-Y341 VanDerWaalsContact C-N 3.29Å; G339-Y341 PolarHBondContact O-N 3.42Å; Y341-L401 HydrophobicContact CD1-CD1 3.59Å; Y341-L401 HydrophobicContact CE1-CD1 3.79Å; Y341-I405 HydrophobicContact CE1-CG2 3.99Å; Y341-Q406 PolarHBondContact OH-O 3.01Å; Y341-V407 HydrophobicContact CE1-CG1 4.4Å; Y341-V407 HydrophobicContact CE1-CG2 3.98Å; Y341-D411 HydrophobicContact CE2-CB 4.07Å; Y341-D411 PolarHBondContact OH-OD2 2.89Å
342S88.4Confident90.4Very high5 Ų532.1 Ų32.14%0.03516%0.163CC..SBendtrans-131.7152.3172.864.70000110.9Y340 T344 S368Y340-S342 VanDerWaalsContact C-N 3.27Å; Y340-S342 PolarHBondContact O-N 3.15Å; S342-T344 PolarHBondContact O-N 3.11Å; S342-S368 WeakPolarHBondContact CB-OG 3.38Å; S342-S368 PolarHBondContact N-OG 3.17Å; S342-S368 WeakPolarHBondContact OG-CB 3.37Å; S342-S368 PolarHBondContact OG-OG 2.95Å
343P85.9Confident89.5Confident16 Ų1632.5 Ų32.510%0.10417%0.165CC..  trans-59.2133170.4-22.733.2000111.1F209 K345 M346 P363F209-P343 HydrophobicContact CB-CG 3.69Å; F209-P343 HydrophobicContact CD1-CG 4.38Å; F209-P343 HydrophobicContact CD2-CG 3.74Å; F209-P343 HydrophobicContact CE2-CG 4.47Å; F209-P343 HydrophobicContact CG-CG 3.68Å; P343-K345 PolarHBondContact O-N 3.48Å; P343-M346 HydrophobicContact CB-CB 3.99Å; P343-M346 WeakPolarHBondContact CB-O 3.38Å; P343-M346 WeakPolarHBondContact CD-O 3.25Å; P343-M346 PolarHBondContact O-N 3.42Å; P343-M346 VanDerWaalsContact O-N 3.16Å; P343-P363 WeakPolarHBondContact O-CB 3.32Å; P343-P363 WeakPolarHBondContact O-CG 3.29Å
344T85.1Confident88.5Confident112 Ų11237.2 Ų37.269%0.68720%0.198SC*.THydrogen-bonded Turntrans-55.3-23.6-172.953.20000115.5S342 P363S342-T344 PolarHBondContact O-N 3.11Å; T344-P363 WeakPolarHBondContact O-CB 3.37Å
345K89.4Confident87.6Confident171 Ų17140.8 Ų40.874%0.74322%0.217SC*.THydrogen-bonded Turntrans-130.512.3-177.8-61.5-174.7-179.2179.50113.8P164 P343P164-K345 WeakPolarHBondContact CD-O 3.44Å; P164-K345 WeakPolarHBondContact CG-O 3.48Å; P343-K345 PolarHBondContact O-N 3.48Å
346M93.8Very high86.6Confident13 Ų1343 Ų436%0.06424%0.24CC..  trans-143.8127.5-178.1172.7178.7-71.900110.7P164 M166 Y198 V222 P343 P363P164-M346 HydrophobicContact CB-CE 4.03Å; P164-M346 HydrophobicContact CB-CG 4.42Å; P164-M346 HydrophobicContact CG-CB 4.1Å; P164-M346 HydrophobicContact CG-CE 4.33Å; P164-M346 HydrophobicContact CG-CG 4.44Å; P164-M346 CarbonylContact O-C 3.58Å; P164-M346 WeakPolarHBondContact O-CA 3.29Å; M166-M346 HydrophobicContact CB-CG 4.16Å; M166-M346 HydrophobicContact CB-SD 3.75Å; M166-M346 HydrophobicContact SD-SD 4.31Å; Y198-M346 WeakPolarHBondContact OH-CE 3.13Å; V222-M346 HydrophobicContact CG1-CE 3.98Å; V222-M346 HydrophobicContact CG2-CE 3.87Å; V222-M346 HydrophobicContact CG2-SD 4.3Å; P343-M346 HydrophobicContact CB-CB 3.99Å; P343-M346 WeakPolarHBondContact CB-O 3.38Å; P343-M346 WeakPolarHBondContact CD-O 3.25Å; P343-M346 PolarHBondContact O-N 3.42Å; P343-M346 VanDerWaalsContact O-N 3.16Å; M346-P363 WeakPolarHBondContact O-CD 3.46Å
347G93.8Very high85.8Confident0 Ų045.7 Ų45.70%025%0.25CS..EExtended strand (participates in β ladder)trans-78.6166.7171.900000112.2P164 I165 M166 F361P164-G347 PolarHBondContact O-N 2.86Å; I165-G347 CarbonylContact C-O 3.44Å; I165-G347 WeakPolarHBondContact CA-O 3.37Å; M166-G347 PolarHBondContact N-O 3.36Å; G347-F361 CarbonylContact C-O 3.6Å; G347-F361 WeakPolarHBondContact CA-O 3.36Å
348L91.9Very high85.2Confident2 Ų246.4 Ų46.41%0.0126%0.255CS..EExtended strand (participates in β ladder)trans-124143.4170.3-171.7146.7000110.1M166 P168 F209 L212 F360 F361 Y400M166-L348 HydrophobicContact CE-CD1 4.1Å; M166-L348 WeakPolarHBondContact O-CA 3.48Å; P168-L348 HydrophobicContact CG-CD1 4.18Å; P168-L348 HydrophobicContact CG-CD2 4.32Å; P168-L348 HydrophobicContact CG-CG 4.4Å; F209-L348 HydrophobicContact CD1-CD1 3.61Å; F209-L348 HydrophobicContact CE1-CD1 3.51Å; L212-L348 HydrophobicContact CD1-CD1 3.87Å; L348-F360 WeakPolarHBondContact O-CA 3.41Å; L348-F361 HydrophobicContact CB-CB 4.28Å; L348-F361 HydrophobicContact CB-CD2 4Å; L348-F361 HydrophobicContact CD2-CD2 3.38Å; L348-F361 HydrophobicContact CD2-CE2 3.63Å; L348-F361 HydrophobicContact CG-CD2 4.24Å; L348-F361 PolarHBondContact N-O 2.91Å; L348-F361 PolarHBondContact O-N 3.18Å; L348-Y400 HydrophobicContact CD2-CD1 4.23Å
349L89.3Confident84.9Confident18 Ų1845.3 Ų45.39%0.09425%0.247CC..EExtended strand (participates in β ladder)trans-114.8124.2175.9173.871000109.6I165 M166 L167 Y223 V358 F360I165-L349 HydrophobicContact CG2-CB 3.75Å; M166-L349 PolarHBondContact O-N 3.05Å; L167-L349 HydrophobicContact CD1-CD2 4.44Å; Y223-L349 HydrophobicContact CE1-CD2 4.24Å; L349-V358 HydrophobicContact CD1-CG1 3.26Å; L349-V358 HydrophobicContact CG-CG1 4.49Å; L349-F360 HydrophobicContact CD1-CD1 3.89Å; L349-F360 HydrophobicContact CD1-CE1 3.5Å; L349-F360 HydrophobicContact CD1-CE2 4.17Å; L349-F360 HydrophobicContact CD1-CG 4.41Å; L349-F360 HydrophobicContact CD1-CZ 3.65Å
350D83.5Confident84.8Confident0 Ų045.7 Ų45.70%024%0.244CC..EExtended strand (participates in β ladder)trans-98.4110.9161.6176.112.6000109.9H352 T353 V358 I359 F361 Y400D350-H352 VanDerWaalsContact OD1-C 3.25Å; D350-H352 PolarHBondContact OD1-N 3Å; D350-T353 WeakPolarHBondContact OD2-CG2 3.3Å; D350-T353 PolarHBondContact OD2-N 3.21Å; D350-V358 VanDerWaalsContact O-CA 3.27Å; D350-V358 WeakPolarHBondContact O-CA 3.28Å; D350-V358 WeakPolarHBondContact O-CG1 3.37Å; D350-I359 PolarHBondContact N-O 3.2Å; D350-I359 PolarHBondContact O-N 3.04Å; D350-F361 HydrophobicContact CB-CE2 4.22Å; D350-Y400 HydrophobicContact CB-CD2 4.37Å; D350-Y400 HydrophobicContact CB-CE1 4.48Å; D350-Y400 HydrophobicContact CB-CE2 3.65Å; D350-Y400 VanDerWaalsContact OD1-CZ 3.3Å; D350-Y400 PolarHBondContact OD1-OH 2.94Å; D350-Y400 WeakPolarHBondContact OD2-CE2 3.14Å
351P78Confident85Confident31 Ų3140.4 Ų40.420%0.20122%0.223CC..SBendtrans-82.6-11.5177.235.1-37.4000114.7L167L167-P351 HydrophobicContact CD1-CB 4.5Å; L167-P351 HydrophobicContact CD1-CG 3.63Å
352H73.7Confident85.2Confident121 Ų12139.9 Ų39.956%0.5622%0.221SC*.  trans-142.770.7-170.2-58.7-68.9000110.9Y178 D350Y178-H352 PolarHBondContact OH-NE2 3.1Å; D350-H352 VanDerWaalsContact OD1-C 3.25Å; D350-H352 PolarHBondContact OD1-N 3Å
353T75.2Confident85.5Confident9 Ų940.1 Ų40.16%0.05522%0.223CC..  trans-63.2170.7167.857.70000110.9D350 D355 G356 R357 I359 E396D350-T353 WeakPolarHBondContact OD2-CG2 3.3Å; D350-T353 PolarHBondContact OD2-N 3.21Å; T353-D355 PolarHBondContact O-N 2.92Å; T353-D355 PolarHBondContact OG1-OD1 3.26Å; T353-G356 PolarHBondContact O-N 2.85Å; T353-G356 PolarHBondContact OG1-N 3.35Å; T353-R357 WeakPolarHBondContact CG2-O 3.27Å; T353-R357 PolarHBondContact N-O 2.7Å; T353-R357 VanDerWaalsContact OG1-C 3.25Å; T353-R357 VanDerWaalsContact OG1-CA 3.31Å; T353-R357 WeakPolarHBondContact OG1-CA 3.49Å; T353-R357 WeakPolarHBondContact OG1-CB 3.46Å; T353-R357 PolarHBondContact OG1-N 2.61Å; T353-R357 PolarHBondContact OG1-O 3.46Å; T353-I359 HydrophobicContact CG2-CB 4.05Å; T353-I359 HydrophobicContact CG2-CD1 3.56Å; T353-I359 HydrophobicContact CG2-CG1 3.65Å; T353-E396 WeakPolarHBondContact CA-OE2 3.14Å; T353-E396 WeakPolarHBondContact CB-OE2 3.4Å; T353-E396 HydrophobicContact CG2-CG 4.22Å
354S75.3Confident86Confident98 Ų9839.5 Ų39.569%0.68522%0.218SC*.THydrogen-bonded Turntrans-53.1-27.5-179.964.10000114.6E396S354-E396 WeakPolarHBondContact CB-OE1 3.33Å; S354-E396 PolarHBondContact N-OE1 2.82Å; S354-E396 PolarHBondContact N-OE2 2.98Å; S354-E396 PolarHBondContact OG-OE1 3.3Å
355D78.1Confident86.4Confident77 Ų7736.4 Ų36.441%0.41220%0.197SC..THydrogen-bonded Turntrans-109.67.8179.465.14.6000114.6T353 R357 F392T353-D355 PolarHBondContact O-N 2.92Å; T353-D355 PolarHBondContact OG1-OD1 3.26Å; D355-R357 VanDerWaalsContact C-N 3.33Å; D355-R357 PolarHBondContact O-N 2.79Å; D355-R357 WeakPolarHBondContact OD1-CB 3.35Å; D355-R357 WeakPolarHBondContact OD1-CG 3.17Å; D355-R357 PolarHBondContact OD1-N 3.47Å; D355-R357 VanDerWaalsContact OD1-N 3.11Å; D355-R357 IonicContact OD1-NE 3.77Å; D355-R357 PolarHBondContact OD1-NE 3.08Å; D355-R357 IonicContact OD2-CZ 2.74Å; D355-R357 IonicContact OD2-NE 3.85Å; D355-R357 PolarHBondContact OD2-NE 3.2Å; D355-R357 IonicContact OD2-NH2 3.19Å; D355-R357 PolarHBondContact OD2-NH2 3.19Å; D355-F392 WeakPolarHBondContact OD2-CZ 3.43Å
356G75.7Confident86.6Confident48 Ų4835 Ų3550%0.49520%0.197SC..SBendtrans80.26.9177.900000115.4T353T353-G356 PolarHBondContact O-N 2.85Å; T353-G356 PolarHBondContact OG1-N 3.35Å
357R80.9Confident86.7Confident56 Ų5636.3 Ų36.321%0.21120%0.202CC..  trans-71.1172.2166.2-67.9-173.5-72.9-169.2-0.2110.9T353 D355T353-R357 WeakPolarHBondContact CG2-O 3.27Å; T353-R357 PolarHBondContact N-O 2.7Å; T353-R357 VanDerWaalsContact OG1-C 3.25Å; T353-R357 VanDerWaalsContact OG1-CA 3.31Å; T353-R357 WeakPolarHBondContact OG1-CA 3.49Å; T353-R357 WeakPolarHBondContact OG1-CB 3.46Å; T353-R357 PolarHBondContact OG1-N 2.61Å; T353-R357 PolarHBondContact OG1-O 3.46Å; D355-R357 VanDerWaalsContact C-N 3.33Å; D355-R357 PolarHBondContact O-N 2.79Å; D355-R357 WeakPolarHBondContact OD1-CB 3.35Å; D355-R357 WeakPolarHBondContact OD1-CG 3.17Å; D355-R357 PolarHBondContact OD1-N 3.47Å; D355-R357 VanDerWaalsContact OD1-N 3.11Å; D355-R357 IonicContact OD1-NE 3.77Å; D355-R357 PolarHBondContact OD1-NE 3.08Å; D355-R357 IonicContact OD2-CZ 2.74Å; D355-R357 IonicContact OD2-NE 3.85Å; D355-R357 PolarHBondContact OD2-NE 3.2Å; D355-R357 IonicContact OD2-NH2 3.19Å; D355-R357 PolarHBondContact OD2-NH2 3.19Å
358V82.9Confident86.8Confident16 Ų1636.5 Ų36.510%0.09720%0.203CC..  trans-116.9123.3179.31740000107.5L349 D350 F360L349-V358 HydrophobicContact CD1-CG1 3.26Å; L349-V358 HydrophobicContact CG-CG1 4.49Å; D350-V358 VanDerWaalsContact O-CA 3.27Å; D350-V358 WeakPolarHBondContact O-CA 3.28Å; D350-V358 WeakPolarHBondContact O-CG1 3.37Å; V358-F360 HydrophobicContact CG1-CD2 4.24Å; V358-F360 HydrophobicContact CG1-CE2 3.74Å; V358-F360 HydrophobicContact CG1-CZ 4.17Å
359I88.1Confident87.1Confident0 Ų036.4 Ų36.40%020%0.203CC..EExtended strand (participates in β ladder)trans-111.2137.2174.7-69.5173.3000109.3D350 T353 F361 G371 F392 E396D350-I359 PolarHBondContact N-O 3.2Å; D350-I359 PolarHBondContact O-N 3.04Å; T353-I359 HydrophobicContact CG2-CB 4.05Å; T353-I359 HydrophobicContact CG2-CD1 3.56Å; T353-I359 HydrophobicContact CG2-CG1 3.65Å; I359-F361 HydrophobicContact CB-CZ 4.24Å; I359-F361 HydrophobicContact CG2-CD1 4.06Å; I359-F361 HydrophobicContact CG2-CE1 3.3Å; I359-F361 HydrophobicContact CG2-CE2 4.2Å; I359-F361 HydrophobicContact CG2-CZ 3.45Å; I359-F361 VanDerWaalsContact CG2-CZ 3.45Å; I359-G371 WeakPolarHBondContact CA-O 3.34Å; I359-F392 HydrophobicContact CD1-CE1 3.99Å; I359-E396 HydrophobicContact CD1-CB 3.53Å; I359-E396 HydrophobicContact CD1-CG 3.64Å
360F91.8Very high87.4Confident28 Ų2835.6 Ų35.612%0.12320%0.199CC..EExtended strand (participates in β ladder)trans-106.3139.3172.8-68.3-93.8000109.3T117 L119 I165 L348 L349 V358 L362 A370 G371T117-F360 HydrophobicContact CG2-CB 4.16Å; T117-F360 HydrophobicContact CG2-CD2 4.33Å; T117-F360 HydrophobicContact CG2-CG 4.42Å; L119-F360 HydrophobicContact CD1-CD1 3.67Å; L119-F360 HydrophobicContact CD1-CD2 4.43Å; L119-F360 HydrophobicContact CD1-CE1 3.63Å; L119-F360 HydrophobicContact CD1-CE2 4.43Å; L119-F360 HydrophobicContact CD1-CG 4.06Å; L119-F360 HydrophobicContact CD1-CZ 4.04Å; I165-F360 HydrophobicContact CD1-CE1 4.36Å; L348-F360 WeakPolarHBondContact O-CA 3.41Å; L349-F360 HydrophobicContact CD1-CD1 3.89Å; L349-F360 HydrophobicContact CD1-CE1 3.5Å; L349-F360 HydrophobicContact CD1-CE2 4.17Å; L349-F360 HydrophobicContact CD1-CG 4.41Å; L349-F360 HydrophobicContact CD1-CZ 3.65Å; V358-F360 HydrophobicContact CG1-CD2 4.24Å; V358-F360 HydrophobicContact CG1-CE2 3.74Å; V358-F360 HydrophobicContact CG1-CZ 4.17Å; F360-L362 HydrophobicContact CB-CD1 4.11Å; F360-L362 HydrophobicContact CB-CD2 3.99Å; F360-L362 HydrophobicContact CB-CG 3.87Å; F360-L362 HydrophobicContact CD1-CD2 4.16Å; F360-A370 WeakPolarHBondContact O-CA 3.09Å; F360-G371 PolarHBondContact N-O 3.14Å; F360-G371 PolarHBondContact O-N 3.1Å
361F92.3Very high87.8Confident16 Ų1635.6 Ų35.67%0.0720%0.199CC..EExtended strand (participates in β ladder)trans-116.9106168.5-45.6-72.3000107.7G347 L348 D350 I359 L369 A370 I397G347-F361 CarbonylContact C-O 3.6Å; G347-F361 WeakPolarHBondContact CA-O 3.36Å; L348-F361 HydrophobicContact CB-CB 4.28Å; L348-F361 HydrophobicContact CB-CD2 4Å; L348-F361 HydrophobicContact CD2-CD2 3.38Å; L348-F361 HydrophobicContact CD2-CE2 3.63Å; L348-F361 HydrophobicContact CG-CD2 4.24Å; L348-F361 PolarHBondContact N-O 2.91Å; L348-F361 PolarHBondContact O-N 3.18Å; D350-F361 HydrophobicContact CB-CE2 4.22Å; I359-F361 HydrophobicContact CB-CZ 4.24Å; I359-F361 HydrophobicContact CG2-CD1 4.06Å; I359-F361 HydrophobicContact CG2-CE1 3.3Å; I359-F361 HydrophobicContact CG2-CE2 4.2Å; I359-F361 HydrophobicContact CG2-CZ 3.45Å; I359-F361 VanDerWaalsContact CG2-CZ 3.45Å; F361-L369 CarbonylContact C-O 3.56Å; F361-L369 WeakPolarHBondContact CA-O 3.46Å; F361-A370 HydrophobicContact CD1-CB 3.74Å; F361-A370 HydrophobicContact CE1-CB 4.15Å; F361-I397 HydrophobicContact CD1-CD1 4.43Å; F361-I397 HydrophobicContact CD1-CG1 3.79Å; F361-I397 HydrophobicContact CE1-CB 4.21Å; F361-I397 HydrophobicContact CE1-CD1 4.16Å; F361-I397 HydrophobicContact CE1-CG1 3.19Å; F361-I397 HydrophobicContact CZ-CG1 4.02Å
362L95.5Very high88.2Confident0 Ų035.1 Ų35.10%020%0.196CC..EExtended strand (participates in β ladder)trans-118132.7-167.4-54.6176.5000109.9T117 L119 L163 I165 F360 W364 L369T117-L362 HydrophobicContact CG2-CD1 3.8Å; T117-L362 VanDerWaalsContact O-CD1 3.25Å; T117-L362 WeakPolarHBondContact O-CD1 3.36Å; L119-L362 HydrophobicContact CD1-CD1 3.87Å; L119-L362 HydrophobicContact CD2-CD1 3.66Å; L119-L362 HydrophobicContact CD2-CD2 4.2Å; L119-L362 HydrophobicContact CG-CD1 3.55Å; L163-L362 HydrophobicContact CD2-CD2 3.87Å; I165-L362 HydrophobicContact CD1-CD2 4.47Å; F360-L362 HydrophobicContact CB-CD1 4.11Å; F360-L362 HydrophobicContact CB-CD2 3.99Å; F360-L362 HydrophobicContact CB-CG 3.87Å; F360-L362 HydrophobicContact CD1-CD2 4.16Å; L362-W364 PolarHBondContact O-N 2.96Å; L362-L369 HydrophobicContact CB-CB 4.48Å; L362-L369 HydrophobicContact CD1-CD2 4.37Å; L362-L369 PolarHBondContact N-O 3.39Å; L362-L369 PolarHBondContact O-N 3.04Å
363P96.2Very high88.9Confident10 Ų1029.5 Ų29.57%0.06517%0.169CC..EExtended strand (participates in β ladder)trans-65.4124.8163.628.9-33.3000108.6L163 Q227 P343 T344 M346 Y367L163-P363 HydrophobicContact CD1-CG 3.86Å; Q227-P363 PolarHBondContact NE2-O 2.83Å; Q227-P363 PolarHBondContact OE1-O 3.09Å; P343-P363 WeakPolarHBondContact O-CB 3.32Å; P343-P363 WeakPolarHBondContact O-CG 3.29Å; T344-P363 WeakPolarHBondContact O-CB 3.37Å; M346-P363 WeakPolarHBondContact O-CD 3.46Å; P363-Y367 CarbonylContact C-O 3.41Å; P363-Y367 WeakPolarHBondContact CA-O 3.46Å
364W96Very high89.4Confident3 Ų333.2 Ų33.21%0.01119%0.189CC..EExtended strand (participates in β ladder)trans-144120.3177.2-177.364.7000109.2K118 E229 I336 L362 N366 Y367 L369 R576 F579 L580K118-W364 HydrophobicContact CD-CZ2 3.82Å; K118-W364 HydrophobicContact CG-CD2 4.09Å; K118-W364 HydrophobicContact CG-CG 4.24Å; K118-W364 HydrophobicContact CG-CZ2 4.28Å; E229-W364 VanDerWaalsContact OE2-CZ2 3.32Å; E229-W364 WeakPolarHBondContact OE2-CZ2 3.3Å; I336-W364 HydrophobicContact CD1-CE3 3.98Å; I336-W364 HydrophobicContact CD1-CZ3 4.23Å; L362-W364 PolarHBondContact O-N 2.96Å; W364-N366 VanDerWaalsContact C-N 3.25Å; W364-N366 PolarHBondContact O-N 2.82Å; W364-Y367 PolarHBondContact N-O 3.32Å; W364-Y367 PolarHBondContact O-N 2.94Å; W364-L369 HydrophobicContact CB-CB 4.23Å; W364-L369 HydrophobicContact CD2-CD1 4.39Å; W364-L369 HydrophobicContact CE3-CD1 4.24Å; W364-R576 HydrophobicContact CH2-CB 3.92Å; W364-R576 HydrophobicContact CH2-CG 4.26Å; W364-R576 HydrophobicContact CZ2-CB 4.3Å; W364-R576 HydrophobicContact CZ2-CG 4.19Å; W364-F579 HydrophobicContact CH2-CB 3.86Å; W364-F579 HydrophobicContact CZ3-CB 3.94Å; W364-L580 HydrophobicContact CE3-CD2 3.69Å; W364-L580 HydrophobicContact CH2-CD2 4.13Å; W364-L580 HydrophobicContact CZ3-CD2 3.45Å; W364-L580 VanDerWaalsContact CZ3-CD2 3.45Å; W364-L580 HydrophobicContact CZ3-CG 4.49Å
365M94.1Very high90Very high47 Ų4731.1 Ų31.123%0.23217%0.172CC..THydrogen-bonded Turntrans50.840.4-177.6-63.6179.6154.900114.3E229 Y367 I519 R576 L580E229-M365 HydrophobicContact CG-CE 3.68Å; M365-Y367 VanDerWaalsContact C-N 3.25Å; M365-Y367 WeakPolarHBondContact O-CD2 3.49Å; M365-Y367 PolarHBondContact O-N 2.97Å; M365-I519 HydrophobicContact CE-CD1 3.71Å; M365-R576 HydrophobicContact CE-CB 4.32Å; M365-R576 HydrophobicContact CE-CG 3.92Å; M365-R576 HydrophobicContact SD-CB 3.96Å; M365-R576 HydrophobicContact SD-CG 4.17Å; M365-L580 HydrophobicContact CB-CD1 3.94Å; M365-L580 HydrophobicContact CB-CD2 3.71Å; M365-L580 HydrophobicContact CB-CG 4.48Å; M365-L580 HydrophobicContact CG-CD2 4.37Å; M365-L580 HydrophobicContact SD-CD1 3.9Å; M365-L580 HydrophobicContact SD-CD2 3.96Å; M365-L580 HydrophobicContact SD-CG 4.26Å
366N93.2Very high90.4Very high142 Ų14234.6 Ų34.676%0.75919%0.186SC*.THydrogen-bonded Turntrans69.99.6-175.7-51.2-48.3000116.1G339 W364G339-N366 WeakPolarHBondContact CA-O 3.28Å; W364-N366 VanDerWaalsContact C-N 3.25Å; W364-N366 PolarHBondContact O-N 2.82Å
367Y96.3Very high91.1Very high40 Ų4033.4 Ų33.416%0.15717%0.17CC..EExtended strand (participates in β ladder)trans-114.1175.2173-66.3-87000111.4I336 P363 W364 M365 L413 F549 L580I336-Y367 HydrophobicContact CG2-CD1 4.02Å; I336-Y367 HydrophobicContact CG2-CG 3.94Å; P363-Y367 CarbonylContact C-O 3.41Å; P363-Y367 WeakPolarHBondContact CA-O 3.46Å; W364-Y367 PolarHBondContact N-O 3.32Å; W364-Y367 PolarHBondContact O-N 2.94Å; M365-Y367 VanDerWaalsContact C-N 3.25Å; M365-Y367 WeakPolarHBondContact O-CD2 3.49Å; M365-Y367 PolarHBondContact O-N 2.97Å; Y367-L413 HydrophobicContact CD1-CD1 3.42Å; Y367-L413 VanDerWaalsContact CD1-CD1 3.42Å; Y367-L413 HydrophobicContact CE1-CD1 3.32Å; Y367-F549 AromaticContact CE2-CE1 3.75Å; Y367-F549 HydrophobicContact CE2-CE1 3.75Å; Y367-F549 HydrophobicContact CE2-CZ 4.38Å; Y367-F549 AromaticContact CZ-CE1 3.77Å; Y367-F549 AromaticContact CZ-CZ 3.94Å; Y367-F549 WeakPolarHBondContact OH-CE1 3.33Å; Y367-F549 WeakPolarHBondContact OH-CZ 3.4Å; Y367-L580 HydrophobicContact CD2-CB 4.2Å; Y367-L580 HydrophobicContact CD2-CD1 4.34Å; Y367-L580 HydrophobicContact CD2-CD2 3.92Å; Y367-L580 HydrophobicContact CD2-CG 4.38Å; Y367-L580 HydrophobicContact CE2-CB 4.12Å; Y367-L580 HydrophobicContact CE2-CD1 4.21Å
368S95.7Very high91.6Very high4 Ų437.9 Ų37.93%0.02820%0.198CC..EExtended strand (participates in β ladder)trans-107.4108.1177.8-59.50000109.9L337 P338 S342L337-S368 PolarHBondContact N-O 3.15Å; L337-S368 PolarHBondContact O-N 3.47Å; P338-S368 PolarHBondContact O-OG 3.36Å; P338-S368 VanDerWaalsContact O-OG 3.13Å; S342-S368 WeakPolarHBondContact CB-OG 3.38Å; S342-S368 PolarHBondContact N-OG 3.17Å; S342-S368 WeakPolarHBondContact OG-CB 3.37Å; S342-S368 PolarHBondContact OG-OG 2.95Å
369L96.9Very high92Very high0 Ų040.8 Ų40.80%021%0.213CC..EExtended strand (participates in β ladder)trans-84.5125.1172.6-179.9161.5000109.2T117 K118 I336 F361 L362 W364 W416T117-L369 HydrophobicContact CG2-CD2 4.15Å; K118-L369 HydrophobicContact CB-CD1 4.39Å; K118-L369 HydrophobicContact CG-CD1 3.61Å; I336-L369 HydrophobicContact CD1-CB 3.72Å; I336-L369 HydrophobicContact CD1-CD1 4.41Å; I336-L369 HydrophobicContact CD1-CG 4.05Å; F361-L369 CarbonylContact C-O 3.56Å; F361-L369 WeakPolarHBondContact CA-O 3.46Å; L362-L369 HydrophobicContact CB-CB 4.48Å; L362-L369 HydrophobicContact CD1-CD2 4.37Å; L362-L369 PolarHBondContact N-O 3.39Å; L362-L369 PolarHBondContact O-N 3.04Å; W364-L369 HydrophobicContact CB-CB 4.23Å; W364-L369 HydrophobicContact CD2-CD1 4.39Å; W364-L369 HydrophobicContact CE3-CD1 4.24Å; L369-W416 HydrophobicContact CD1-CH2 3.68Å; L369-W416 HydrophobicContact CD1-CZ2 4.01Å; L369-W416 HydrophobicContact CG-CH2 3.92Å
370A95.3Very high92.3Very high2 Ų243.7 Ų43.72%0.01723%0.231CC..EExtended strand (participates in β ladder)trans-121.4137.8174.900000111.7H334 I335 F360 F361 I393 I397H334-A370 VanDerWaalsContact CA-O 3.27Å; H334-A370 WeakPolarHBondContact CA-O 3.31Å; I335-A370 HydrophobicContact CD1-CB 4.41Å; I335-A370 HydrophobicContact CG1-CB 3.88Å; I335-A370 PolarHBondContact N-O 2.98Å; I335-A370 PolarHBondContact O-N 2.96Å; F360-A370 WeakPolarHBondContact O-CA 3.09Å; F361-A370 HydrophobicContact CD1-CB 3.74Å; F361-A370 HydrophobicContact CE1-CB 4.15Å; A370-I393 HydrophobicContact CB-CG2 3.8Å; A370-I397 HydrophobicContact CB-CD1 3.62Å; A370-I397 HydrophobicContact CB-CG1 4.28Å
371G92.1Very high92.2Very high0 Ų045.2 Ų45.20%024%0.24CC..EExtended strand (participates in β ladder)trans165.4173.1177.100000113I359 F360I359-G371 WeakPolarHBondContact CA-O 3.34Å; F360-G371 PolarHBondContact N-O 3.14Å; F360-G371 PolarHBondContact O-N 3.1Å
372T87.5Confident92.3Very high21 Ų2149.1 Ų49.113%0.12926%0.258CS..  cis-133.1154.919.5178.10000112.2G332 V333 R420G332-T372 WeakPolarHBondContact CA-OG1 3.49Å; V333-T372 VanDerWaalsContact O-CA 3.29Å; V333-T372 WeakPolarHBondContact O-CA 3.39Å; V333-T372 PolarHBondContact O-OG1 2.65Å; T372-R420 PolarHBondContact OG1-NH2 3.49Å
373T87.5Confident92.2Very high2 Ų249.6 Ų49.61%0.01226%0.261CS..  trans-73.5170.5162.163.70000111.3G332 V333 E389 F392 I393 R420G332-T373 VanDerWaalsContact CA-O 3.29Å; G332-T373 WeakPolarHBondContact CA-O 3.5Å; V333-T373 HydrophobicContact CB-CG2 4.35Å; V333-T373 WeakPolarHBondContact CB-OG1 3.34Å; V333-T373 PolarHBondContact N-OG1 3.09Å; V333-T373 PolarHBondContact O-N 3.03Å; T373-E389 HydrophobicContact CG2-CB 3.98Å; T373-E389 HydrophobicContact CG2-CG 4Å; T373-E389 PolarHBondContact OG1-OE1 3.04Å; T373-F392 HydrophobicContact CG2-CD1 3.98Å; T373-I393 HydrophobicContact CG2-CD1 4.19Å; T373-I393 HydrophobicContact CG2-CG1 4.2Å; T373-R420 PolarHBondContact O-NH1 2.87Å
374D85.2Confident92.2Very high88 Ų8851.3 Ų51.347%0.47127%0.274SS..  trans-150.299.7176.8-166.5-0.9000107.9S330 L331 R420S330-D374 WeakPolarHBondContact CB-OD1 3.5Å; S330-D374 PolarHBondContact OG-OD1 3.12Å; L331-D374 WeakPolarHBondContact O-CA 3.28Å; D374-R420 IonicContact OD1-NH1 3.44Å
375T88.4Confident92.1Very high54 Ų5451.5 Ų51.533%0.33128%0.275SS..EExtended strand (participates in β ladder)trans-132.3138.8-176.748.50000109.7S330 L331 E389S330-T375 CarbonylContact C-O 3.58Å; S330-T375 VanDerWaalsContact CA-O 3.31Å; S330-T375 WeakPolarHBondContact CA-O 3.33Å; L331-T375 PolarHBondContact N-O 3.14Å; L331-T375 PolarHBondContact O-N 3.4Å; T375-E389 PolarHBondContact OG1-OE1 3.12Å
376E87.2Confident92Very high149 Ų14951.4 Ų51.470%0.69628%0.279SS*.EExtended strand (participates in β ladder)trans-63.8141.7173.4-174.4163.9-142.400110Q328Q328-E376 PolarHBondContact NE2-OE1 2.84Å
377C90.9Very high92Very high24 Ų2447.4 Ų47.416%0.16226%0.256CS..  trans-144.1160.6-175.568.70000112.6P329 L331P329-C377 WeakPolarHBondContact CG-O 3.32Å; P329-C377 PolarHBondContact O-N 2.74Å; L331-C377 HydrophobicContact CB-CB 3.88Å
378N90.4Very high91.7Very high149 Ų14949 Ų4980%0.79728%0.278SS*.  trans-84.4147.3168-68-44.3000110.1T380N378-T380 PolarHBondContact O-N 2.91Å
379L91.9Very high91.6Very high77 Ų7749.7 Ų49.740%0.40328%0.28SS..  trans-64.9130.1178.3-172.263.2000110.8P310 F311 I419P310-L379 HydrophobicContact CB-CD1 3.51Å; F311-L379 HydrophobicContact CD1-CD1 3.9Å; F311-L379 HydrophobicContact CD1-CD2 3.49Å; F311-L379 VanDerWaalsContact CD1-CD2 3.49Å; F311-L379 HydrophobicContact CD1-CG 3.77Å; F311-L379 HydrophobicContact CD2-CD1 4.16Å; F311-L379 HydrophobicContact CE1-CD1 3.66Å; F311-L379 HydrophobicContact CE1-CD2 3.8Å; F311-L379 HydrophobicContact CE1-CG 3.52Å; F311-L379 HydrophobicContact CE2-CD1 3.95Å; F311-L379 HydrophobicContact CG-CD1 4.13Å; F311-L379 HydrophobicContact CG-CD2 4.1Å; F311-L379 HydrophobicContact CG-CG 4.44Å; F311-L379 HydrophobicContact CZ-CD1 3.69Å; F311-L379 HydrophobicContact CZ-CG 4.04Å; L379-I419 HydrophobicContact CD1-CD1 4.35Å
380T93.4Very high91.4Very high62 Ų6249.7 Ų49.738%0.3828%0.28SS..  trans-150.5151.3177.6178.10000110.2N378 Q382 P383 I419N378-T380 PolarHBondContact O-N 2.91Å; T380-Q382 VanDerWaalsContact C-N 3.26Å; T380-Q382 PolarHBondContact OG1-N 3.41Å; T380-P383 HydrophobicContact CG2-CB 4.19Å; T380-I419 HydrophobicContact CG2-CD1 4.27Å
381D91.3Very high91.3Very high59 Ų5952.3 Ų52.332%0.31629%0.294SS..SBendtrans-75.7-19.1173.8-67-15.4000112.4R105 F311 P383R105-D381 IonicContact CZ-OD1 3.63Å; R105-D381 IonicContact CZ-OD2 3.81Å; R105-D381 IonicContact NH1-OD1 3.69Å; R105-D381 PolarHBondContact NH1-OD1 3.41Å; R105-D381 IonicContact NH1-OD2 3.35Å; R105-D381 PolarHBondContact NH1-OD2 3.36Å; R105-D381 IonicContact NH2-OD1 3.56Å; R105-D381 PolarHBondContact NH2-OD1 3.18Å; R105-D381 IonicContact NH2-OD2 3.15Å; F311-D381 WeakPolarHBondContact CE1-OD1 3.28Å; F311-D381 WeakPolarHBondContact CZ-OD1 3.37Å; D381-P383 WeakPolarHBondContact O-CD 3.33Å
382Q92.6Very high91.2Very high99 Ų9953.8 Ų53.846%0.46330%0.301SS..SBendtrans-123.660.8-174-59.2177.77.600111.3T380 S384 E621T380-Q382 VanDerWaalsContact C-N 3.26Å; T380-Q382 PolarHBondContact OG1-N 3.41Å; Q382-S384 PolarHBondContact O-N 3.21Å; Q382-S384 PolarHBondContact O-OG 3.37Å; Q382-S384 VanDerWaalsContact O-OG 3.06Å; Q382-E621 WeakPolarHBondContact CA-OE2 3.49Å; Q382-E621 HydrophobicContact CB-CG 4.1Å
383P94.8Very high91.5Very high9 Ų952.8 Ų52.86%0.05830%0.295CS..  trans-6212617814.7-14.8000109.3R115 L331 T380 D381 A417 I419R115-P383 VanDerWaalsContact NH1-CG 3.28Å; R115-P383 PolarHBondContact NH1-O 3.42Å; L331-P383 HydrophobicContact CD1-CB 3.71Å; T380-P383 HydrophobicContact CG2-CB 4.19Å; D381-P383 WeakPolarHBondContact O-CD 3.33Å; P383-A417 HydrophobicContact CB-CB 4.21Å; P383-I419 HydrophobicContact CB-CD1 4.09Å; P383-I419 HydrophobicContact CB-CG1 3.94Å; P383-I419 HydrophobicContact CG-CD1 3.96Å; P383-I419 HydrophobicContact CG-CG1 3.96Å
384S95.1Very high91.7Very high47 Ų4753.3 Ų53.333%0.32930%0.297SS..  trans-121.3137.2-172.6-59.80000109.3Q382 S620Q382-S384 PolarHBondContact O-N 3.21Å; Q382-S384 PolarHBondContact O-OG 3.37Å; Q382-S384 VanDerWaalsContact O-OG 3.06Å; S384-S620 VanDerWaalsContact CB-O 3.28Å; S384-S620 WeakPolarHBondContact CB-O 3.21Å; S384-S620 PolarHBondContact OG-O 2.68Å
385P94.7Very high92Very high7 Ų754.8 Ų54.85%0.04530%0.301CS..  trans-69.1153.1175.130.1-34.7000110.8V333 S415 L626V333-P385 HydrophobicContact CG1-CB 3.8Å; V333-P385 HydrophobicContact CG2-CB 3.98Å; P385-S415 VanDerWaalsContact CG-OG 3.32Å; P385-S415 WeakPolarHBondContact CG-OG 3.41Å; P385-L626 HydrophobicContact CB-CD1 4.09Å; P385-L626 HydrophobicContact CG-CD1 3.81Å
386S92.5Very high92.1Very high45 Ų4552.6 Ų52.632%0.31529%0.287SS..  trans-102.5156.6169.568.20000112.2A388 E389 V390S386-A388 VanDerWaalsContact C-N 3.28Å; S386-A388 PolarHBondContact O-N 3.3Å; S386-E389 WeakPolarHBondContact CB-OE2 3.32Å; S386-E389 PolarHBondContact N-OE2 3.2Å; S386-E389 VanDerWaalsContact N-OE2 3.08Å; S386-E389 PolarHBondContact O-N 3.42Å; S386-E389 WeakPolarHBondContact OG-CB 3.44Å; S386-E389 VanDerWaalsContact OG-CG 3.24Å; S386-E389 WeakPolarHBondContact OG-CG 3.18Å; S386-E389 PolarHBondContact OG-N 2.72Å; S386-E389 PolarHBondContact OG-OE2 2.93Å; S386-V390 WeakPolarHBondContact O-CG2 3.07Å; S386-V390 PolarHBondContact O-N 3.02Å; S386-V390 VanDerWaalsContact O-N 3.12Å
387E92.2Very high92.2Very high57 Ų5745.8 Ų45.827%0.26626%0.255SS..Hα-helixtrans-64.5-34177-172.155.4-151.900112.1E389 V390 N391 R409 L626E387-E389 VanDerWaalsContact C-N 3.35Å; E387-E389 PolarHBondContact O-N 2.65Å; E387-V390 PolarHBondContact O-N 3.43Å; E387-N391 WeakPolarHBondContact O-CB 3.31Å; E387-N391 PolarHBondContact O-N 3.38Å; E387-N391 PolarHBondContact O-ND2 2.77Å; E387-N391 VanDerWaalsContact O-ND2 3.12Å; E387-N391 PolarHBondContact OE1-ND2 2.71Å; E387-R409 VanDerWaalsContact CD-NE 3.29Å; E387-R409 VanDerWaalsContact OE1-CD 3.25Å; E387-R409 WeakPolarHBondContact OE1-CD 3.43Å; E387-R409 IonicContact OE1-CZ 3.51Å; E387-R409 IonicContact OE1-NE 2.71Å; E387-R409 PolarHBondContact OE1-NE 3.42Å; E387-R409 IonicContact OE1-NH2 2.65Å; E387-R409 IonicContact OE2-CZ 2.79Å; E387-R409 IonicContact OE2-NE 3.42Å; E387-R409 PolarHBondContact OE2-NE 3.39Å; E387-R409 IonicContact OE2-NH2 3.51Å; E387-R409 PolarHBondContact OE2-NH2 3Å; E387-L626 HydrophobicContact CB-CD2 4.37Å
388A91.4Very high92.2Very high74 Ų7447.3 Ų47.361%0.61227%0.266SS*.Hα-helixtrans-62.7-4017500000112.2S386 N391 F392S386-A388 VanDerWaalsContact C-N 3.28Å; S386-A388 PolarHBondContact O-N 3.3Å; A388-N391 PolarHBondContact O-N 3.36Å; A388-F392 WeakPolarHBondContact O-CB 3.35Å; A388-F392 PolarHBondContact O-N 2.78Å
389E92.6Very high92.1Very high19 Ų1944.3 Ų44.39%0.08925%0.25CS..Hα-helixtrans-69.4-38.2176.4-74.1169.9120.300112.4V333 T373 T375 S386 E387 I393V333-E389 HydrophobicContact CB-CB 4.16Å; V333-E389 HydrophobicContact CG1-CB 4.22Å; V333-E389 HydrophobicContact CG2-CB 4.08Å; V333-E389 VanDerWaalsContact CG2-CD 3.42Å; V333-E389 HydrophobicContact CG2-CG 4.32Å; V333-E389 WeakPolarHBondContact CG2-OE1 3.49Å; V333-E389 WeakPolarHBondContact CG2-OE2 3.36Å; T373-E389 HydrophobicContact CG2-CB 3.98Å; T373-E389 HydrophobicContact CG2-CG 4Å; T373-E389 PolarHBondContact OG1-OE1 3.04Å; T375-E389 PolarHBondContact OG1-OE1 3.12Å; S386-E389 WeakPolarHBondContact CB-OE2 3.32Å; S386-E389 PolarHBondContact N-OE2 3.2Å; S386-E389 VanDerWaalsContact N-OE2 3.08Å; S386-E389 PolarHBondContact O-N 3.42Å; S386-E389 WeakPolarHBondContact OG-CB 3.44Å; S386-E389 VanDerWaalsContact OG-CG 3.24Å; S386-E389 WeakPolarHBondContact OG-CG 3.18Å; S386-E389 PolarHBondContact OG-N 2.72Å; S386-E389 PolarHBondContact OG-OE2 2.93Å; E387-E389 VanDerWaalsContact C-N 3.35Å; E387-E389 PolarHBondContact O-N 2.65Å; E389-I393 WeakPolarHBondContact O-CG1 3.44Å; E389-I393 PolarHBondContact O-N 2.88Å; E389-I393 VanDerWaalsContact O-N 3.14Å
390V93Very high91.7Very high0 Ų042.3 Ų42.30%024%0.238CC..Hα-helixtrans-61.9-48.6173.8171.50000110.3I335 S386 E387 F392 I393 L394 V412 L626I335-V390 HydrophobicContact CG2-CB 4.43Å; I335-V390 HydrophobicContact CG2-CG1 4.2Å; I335-V390 HydrophobicContact CG2-CG2 4.01Å; S386-V390 WeakPolarHBondContact O-CG2 3.07Å; S386-V390 PolarHBondContact O-N 3.02Å; S386-V390 VanDerWaalsContact O-N 3.12Å; E387-V390 PolarHBondContact O-N 3.43Å; V390-F392 PolarHBondContact O-N 3.25Å; V390-I393 PolarHBondContact O-N 3.47Å; V390-L394 HydrophobicContact CG1-CD1 3.91Å; V390-L394 HydrophobicContact CG1-CG 4.41Å; V390-L394 WeakPolarHBondContact O-CG 3.49Å; V390-L394 PolarHBondContact O-N 2.91Å; V390-V412 HydrophobicContact CG1-CG2 4.09Å; V390-L626 HydrophobicContact CG2-CD1 3.98Å
391N92Very high91.5Very high56 Ų5639.7 Ų39.730%0.29922%0.221SC..Hα-helixtrans-63.3-40.7179.3-72.5-35.8000112.4E387 A388 I393 L394 E395E387-N391 WeakPolarHBondContact O-CB 3.31Å; E387-N391 PolarHBondContact O-N 3.38Å; E387-N391 PolarHBondContact O-ND2 2.77Å; E387-N391 VanDerWaalsContact O-ND2 3.12Å; E387-N391 PolarHBondContact OE1-ND2 2.71Å; A388-N391 PolarHBondContact O-N 3.36Å; N391-I393 VanDerWaalsContact C-N 3.32Å; N391-I393 PolarHBondContact O-N 3.48Å; N391-L394 PolarHBondContact O-N 3.4Å; N391-E395 WeakPolarHBondContact O-CB 3.34Å; N391-E395 WeakPolarHBondContact O-CG 3.38Å; N391-E395 PolarHBondContact O-N 3.02Å
392F91.6Very high91.4Very high32 Ų3237.4 Ų37.414%0.1421%0.21CC..Hα-helixtrans-55.1-46.9172.4172.5-96.3000111.9D355 I359 T373 A388 V390 L394 E395 E396D355-F392 WeakPolarHBondContact OD2-CZ 3.43Å; I359-F392 HydrophobicContact CD1-CE1 3.99Å; T373-F392 HydrophobicContact CG2-CD1 3.98Å; A388-F392 WeakPolarHBondContact O-CB 3.35Å; A388-F392 PolarHBondContact O-N 2.78Å; V390-F392 PolarHBondContact O-N 3.25Å; F392-L394 PolarHBondContact O-N 2.83Å; F392-E395 PolarHBondContact O-N 3.31Å; F392-E396 HydrophobicContact CE1-CG 4.05Å; F392-E396 HydrophobicContact CE2-CG 4.03Å; F392-E396 HydrophobicContact CZ-CG 3.74Å; F392-E396 WeakPolarHBondContact O-CG 3.45Å; F392-E396 PolarHBondContact O-N 3.23Å
393I93.1Very high91.1Very high0 Ų038.2 Ų38.20%022%0.224CC..Hα-helixtrans-65.6-40.4179.4-62.8165000110.8V333 I335 A370 T373 E389 V390 N391 E396 I397V333-I393 HydrophobicContact CB-CD1 4.42Å; V333-I393 HydrophobicContact CG1-CD1 4.03Å; I335-I393 HydrophobicContact CD1-CB 4.1Å; I335-I393 HydrophobicContact CD1-CG2 3.57Å; I335-I393 HydrophobicContact CG1-CG2 3.81Å; I335-I393 HydrophobicContact CG2-CD1 4.2Å; A370-I393 HydrophobicContact CB-CG2 3.8Å; T373-I393 HydrophobicContact CG2-CD1 4.19Å; T373-I393 HydrophobicContact CG2-CG1 4.2Å; E389-I393 WeakPolarHBondContact O-CG1 3.44Å; E389-I393 PolarHBondContact O-N 2.88Å; E389-I393 VanDerWaalsContact O-N 3.14Å; V390-I393 PolarHBondContact O-N 3.47Å; N391-I393 VanDerWaalsContact C-N 3.32Å; N391-I393 PolarHBondContact O-N 3.48Å; I393-E396 PolarHBondContact O-N 2.78Å; I393-I397 HydrophobicContact CG2-CD1 3.91Å; I393-I397 HydrophobicContact CG2-CG1 4.43Å; I393-I397 WeakPolarHBondContact O-CD1 3.05Å; I393-I397 WeakPolarHBondContact O-CG1 3.46Å; I393-I397 PolarHBondContact O-N 2.97Å
394L92.5Very high90.7Very high12 Ų1243.8 Ų43.86%0.06325%0.249CC..Hα-helixtrans-63.3-41.9177.5-66.9168.9000112.3I335 L337 V390 N391 F392 I397 S398 V407 R409 V412I335-L394 HydrophobicContact CD1-CD2 3.75Å; I335-L394 HydrophobicContact CD1-CG 4.14Å; L337-L394 HydrophobicContact CD2-CD2 4.18Å; V390-L394 HydrophobicContact CG1-CD1 3.91Å; V390-L394 HydrophobicContact CG1-CG 4.41Å; V390-L394 WeakPolarHBondContact O-CG 3.49Å; V390-L394 PolarHBondContact O-N 2.91Å; N391-L394 PolarHBondContact O-N 3.4Å; F392-L394 PolarHBondContact O-N 2.83Å; L394-I397 PolarHBondContact O-N 3.02Å; L394-S398 PolarHBondContact O-N 2.89Å; L394-V407 HydrophobicContact CB-CG1 4.39Å; L394-V407 HydrophobicContact CD2-CG1 3.53Å; L394-R409 HydrophobicContact CD1-CB 4.27Å; L394-V412 HydrophobicContact CD1-CG2 4.02Å; L394-V412 HydrophobicContact CD2-CG2 3.71Å; L394-V412 HydrophobicContact CG-CG2 4.27Å
395E90.6Very high90.3Very high120 Ų12043.8 Ų43.856%0.56125%0.245SC*.Hα-helixtrans-60.8-46.8175.5-74.3172.8-169.100111.2N391 F392 I397 S398 N399N391-E395 WeakPolarHBondContact O-CB 3.34Å; N391-E395 WeakPolarHBondContact O-CG 3.38Å; N391-E395 PolarHBondContact O-N 3.02Å; F392-E395 PolarHBondContact O-N 3.31Å; E395-I397 PolarHBondContact O-N 3.1Å; E395-S398 WeakPolarHBondContact O-CB 3.28Å; E395-S398 PolarHBondContact O-N 3.17Å; E395-S398 PolarHBondContact O-OG 3.11Å; E395-N399 PolarHBondContact O-N 3.06Å; E395-N399 PolarHBondContact O-ND2 3.33Å
396E91Very high89.9Confident7 Ų750.7 Ų50.73%0.03328%0.276CS..Hα-helixtrans-63.6-39177.4-68.2-61.5157.400112.7T353 S354 I359 F392 I393 S398 N399T353-E396 WeakPolarHBondContact CA-OE2 3.14Å; T353-E396 WeakPolarHBondContact CB-OE2 3.4Å; T353-E396 HydrophobicContact CG2-CG 4.22Å; S354-E396 WeakPolarHBondContact CB-OE1 3.33Å; S354-E396 PolarHBondContact N-OE1 2.82Å; S354-E396 PolarHBondContact N-OE2 2.98Å; S354-E396 PolarHBondContact OG-OE1 3.3Å; I359-E396 HydrophobicContact CD1-CB 3.53Å; I359-E396 HydrophobicContact CD1-CG 3.64Å; F392-E396 HydrophobicContact CE1-CG 4.05Å; F392-E396 HydrophobicContact CE2-CG 4.03Å; F392-E396 HydrophobicContact CZ-CG 3.74Å; F392-E396 WeakPolarHBondContact O-CG 3.45Å; F392-E396 PolarHBondContact O-N 3.23Å; I393-E396 PolarHBondContact O-N 2.78Å; E396-S398 VanDerWaalsContact C-N 3.34Å; E396-S398 PolarHBondContact O-N 3.35Å; E396-N399 PolarHBondContact O-N 3.17Å
397I89.4Confident89.6Confident6 Ų649.9 Ų49.93%0.03127%0.27CS..Hα-helixtrans-59.7-47.1173.2-67.2163.7000110.5I335 L337 F361 A370 I393 L394 E395 N399 Y400 L401 V407I335-I397 HydrophobicContact CD1-CD1 3.96Å; L337-I397 HydrophobicContact CD1-CD1 3.48Å; L337-I397 VanDerWaalsContact CD1-CD1 3.48Å; F361-I397 HydrophobicContact CD1-CD1 4.43Å; F361-I397 HydrophobicContact CD1-CG1 3.79Å; F361-I397 HydrophobicContact CE1-CB 4.21Å; F361-I397 HydrophobicContact CE1-CD1 4.16Å; F361-I397 HydrophobicContact CE1-CG1 3.19Å; F361-I397 HydrophobicContact CZ-CG1 4.02Å; A370-I397 HydrophobicContact CB-CD1 3.62Å; A370-I397 HydrophobicContact CB-CG1 4.28Å; I393-I397 HydrophobicContact CG2-CD1 3.91Å; I393-I397 HydrophobicContact CG2-CG1 4.43Å; I393-I397 WeakPolarHBondContact O-CD1 3.05Å; I393-I397 WeakPolarHBondContact O-CG1 3.46Å; I393-I397 PolarHBondContact O-N 2.97Å; L394-I397 PolarHBondContact O-N 3.02Å; E395-I397 PolarHBondContact O-N 3.1Å; I397-N399 PolarHBondContact O-N 3.04Å; I397-N399 VanDerWaalsContact O-N 3.16Å; I397-Y400 PolarHBondContact O-N 3.29Å; I397-L401 HydrophobicContact CG2-CD1 3.69Å; I397-L401 HydrophobicContact CG2-CG 4.07Å; I397-L401 PolarHBondContact O-N 3.14Å; I397-V407 HydrophobicContact CG2-CG1 4.25Å; I397-V407 HydrophobicContact CG2-CG2 3.86Å
398S89.7Confident89.3Confident56 Ų5651.3 Ų51.339%0.39227%0.273SS..Hα-helixtrans-58.2-31.6-176.279.70000112.7L394 E395 E396 Y400 L401L394-S398 PolarHBondContact O-N 2.89Å; E395-S398 WeakPolarHBondContact O-CB 3.28Å; E395-S398 PolarHBondContact O-N 3.17Å; E395-S398 PolarHBondContact O-OG 3.11Å; E396-S398 VanDerWaalsContact C-N 3.34Å; E396-S398 PolarHBondContact O-N 3.35Å; S398-Y400 PolarHBondContact O-N 3.15Å; S398-L401 PolarHBondContact O-N 3.3Å
399N88.2Confident89.1Confident87 Ų8750 Ų5047%0.46525%0.252SS..Hα-helixtrans-66.4-24.9178.9-70.9-35.4000113.7E395 E396 I397E395-N399 PolarHBondContact O-N 3.06Å; E395-N399 PolarHBondContact O-ND2 3.33Å; E396-N399 PolarHBondContact O-N 3.17Å; I397-N399 PolarHBondContact O-N 3.04Å; I397-N399 VanDerWaalsContact O-N 3.16Å
400Y84.9Confident88.9Confident35 Ų3550.5 Ų50.514%0.13726%0.262CS..Hα-helixtrans-96.4-24.6-177.8-87.1-85.4000114.2P168 Y170 K213 L348 D350 I397 S398P168-Y400 HydrophobicContact CG-CD1 4.13Å; P168-Y400 HydrophobicContact CG-CE1 3.82Å; Y170-Y400 HydrophobicContact CE2-CE1 4.33Å; K213-Y400 VanDerWaalsContact CB-O 3.32Å; K213-Y400 WeakPolarHBondContact CB-O 3.43Å; K213-Y400 PolarHBondContact N-O 3.24Å; L348-Y400 HydrophobicContact CD2-CD1 4.23Å; D350-Y400 HydrophobicContact CB-CD2 4.37Å; D350-Y400 HydrophobicContact CB-CE1 4.48Å; D350-Y400 HydrophobicContact CB-CE2 3.65Å; D350-Y400 VanDerWaalsContact OD1-CZ 3.3Å; D350-Y400 PolarHBondContact OD1-OH 2.94Å; D350-Y400 WeakPolarHBondContact OD2-CE2 3.14Å; I397-Y400 PolarHBondContact O-N 3.29Å; S398-Y400 PolarHBondContact O-N 3.15Å
401L89.5Confident88.8Confident6 Ų651 Ų513%0.03126%0.264CS..BIsolated β-bridgetrans-79.4158.9178.9-59.2-178000110.9F209 L211 Y341 I397 S398 I405 V407F209-L401 HydrophobicContact CE1-CD2 4.39Å; F209-L401 HydrophobicContact CE2-CD2 4.41Å; F209-L401 HydrophobicContact CZ-CD2 3.64Å; L211-L401 HydrophobicContact CB-CD2 4Å; L211-L401 CarbonylContact O-C 3.51Å; L211-L401 VanDerWaalsContact O-CA 3.28Å; L211-L401 WeakPolarHBondContact O-CA 3.4Å; Y341-L401 HydrophobicContact CD1-CD1 3.59Å; Y341-L401 HydrophobicContact CE1-CD1 3.79Å; I397-L401 HydrophobicContact CG2-CD1 3.69Å; I397-L401 HydrophobicContact CG2-CG 4.07Å; I397-L401 PolarHBondContact O-N 3.14Å; S398-L401 PolarHBondContact O-N 3.3Å; L401-I405 HydrophobicContact CB-CB 4.27Å; L401-I405 HydrophobicContact CD1-CB 4.46Å; L401-I405 HydrophobicContact CD1-CG2 3.84Å; L401-V407 HydrophobicContact CD1-CG2 3.45Å; L401-V407 VanDerWaalsContact CD1-CG2 3.45Å
402S88.3Confident88.9Confident12 Ų1248.4 Ų48.48%0.08425%0.251CS..  trans-56.6138.1169.5-173.90000109.1L211 E404 I405L211-S402 PolarHBondContact O-N 3.45Å; S402-E404 VanDerWaalsContact CB-OE1 3.31Å; S402-E404 WeakPolarHBondContact CB-OE1 3.43Å; S402-E404 PolarHBondContact O-N 3.01Å; S402-E404 VanDerWaalsContact OG-CD 3.22Å; S402-E404 WeakPolarHBondContact OG-CG 2.93Å; S402-E404 PolarHBondContact OG-OE1 2.76Å; S402-I405 WeakPolarHBondContact O-CB 3.46Å; S402-I405 PolarHBondContact O-N 3.3Å
403P86Confident89.1Confident116 Ų11648.4 Ų48.475%0.75325%0.252SS*.THydrogen-bonded Turntrans-57.1-18.3179-26.234.7000115I405P403-I405 PolarHBondContact O-N 3.01Å
404E86.6Confident89.3Confident126 Ų12648.6 Ų48.659%0.58925%0.253SS*.THydrogen-bonded Turntrans-72.4-15.9174.372.7-154.214700113.3S402S402-E404 VanDerWaalsContact CB-OE1 3.31Å; S402-E404 WeakPolarHBondContact CB-OE1 3.43Å; S402-E404 PolarHBondContact O-N 3.01Å; S402-E404 VanDerWaalsContact OG-CD 3.22Å; S402-E404 WeakPolarHBondContact OG-CG 2.93Å; S402-E404 PolarHBondContact OG-OE1 2.76Å
405I87.1Confident89.5Confident47 Ų4748 Ų4824%0.24125%0.251CS..  trans-98.2111.4-178.9-54.3-57.6000109.2L211 Y341 L401 S402 P403L211-I405 HydrophobicContact CB-CG1 4.45Å; L211-I405 HydrophobicContact CD2-CD1 3.77Å; L211-I405 HydrophobicContact CD2-CG1 3.97Å; Y341-I405 HydrophobicContact CE1-CG2 3.99Å; L401-I405 HydrophobicContact CB-CB 4.27Å; L401-I405 HydrophobicContact CD1-CB 4.46Å; L401-I405 HydrophobicContact CD1-CG2 3.84Å; S402-I405 WeakPolarHBondContact O-CB 3.46Å; S402-I405 PolarHBondContact O-N 3.3Å; P403-I405 PolarHBondContact O-N 3.01Å
406Q85.3Confident89.8Confident151 Ų15142.3 Ų42.371%0.70622%0.224SC*.  trans-82.1126170.6-63.4-176.20.100109.4Y341 R408Y341-Q406 PolarHBondContact OH-O 3.01Å; Q406-R408 HydrophobicContact CB-CG 4.35Å
407V86.7Confident90.1Very high28 Ų2842 Ų4217%0.1722%0.222CC..  trans-96.1111.5170.3-171.20000106.6Y341 L394 I397 L401Y341-V407 HydrophobicContact CE1-CG1 4.4Å; Y341-V407 HydrophobicContact CE1-CG2 3.98Å; L394-V407 HydrophobicContact CB-CG1 4.39Å; L394-V407 HydrophobicContact CD2-CG1 3.53Å; I397-V407 HydrophobicContact CG2-CG1 4.25Å; I397-V407 HydrophobicContact CG2-CG2 3.86Å; L401-V407 HydrophobicContact CD1-CG2 3.45Å; L401-V407 VanDerWaalsContact CD1-CG2 3.45Å
408R86.1Confident90.4Very high87 Ų8742 Ų4233%0.32822%0.223SC..  trans-105.8151.6-174.6-50.5168.4-65.3173.25109.9Q406 G410 D411 N692Q406-R408 HydrophobicContact CB-CG 4.35Å; R408-G410 PolarHBondContact O-N 3.01Å; R408-D411 WeakPolarHBondContact CA-OD2 3.29Å; R408-D411 WeakPolarHBondContact CB-OD2 3.27Å; R408-D411 IonicContact CZ-OD1 2.65Å; R408-D411 IonicContact CZ-OD2 3.75Å; R408-D411 PolarHBondContact N-OD2 3.01Å; R408-D411 IonicContact NE-OD1 2.69Å; R408-D411 PolarHBondContact NE-OD1 3.34Å; R408-D411 IonicContact NE-OD2 3.34Å; R408-D411 PolarHBondContact NE-OD2 3.42Å; R408-D411 VanDerWaalsContact NE-OD2 3.1Å; R408-D411 IonicContact NH2-OD1 2.98Å; R408-D411 PolarHBondContact NH2-OD1 2.81Å; R408-D411 IonicContact NH2-OD2 3.8Å; R408-D411 WeakPolarHBondContact O-CB 3.39Å; R408-D411 PolarHBondContact O-N 3.44Å; R408-N692 PolarHBondContact NH1-O 3.5Å
409R87.9Confident90.6Very high48 Ų4839.6 Ų39.618%0.18121%0.206CC..G310 helixtrans-59.8-33.5174179.857.3-176.688.1-2.6112.5E387 L394 D411 V412E387-R409 VanDerWaalsContact CD-NE 3.29Å; E387-R409 VanDerWaalsContact OE1-CD 3.25Å; E387-R409 WeakPolarHBondContact OE1-CD 3.43Å; E387-R409 IonicContact OE1-CZ 3.51Å; E387-R409 IonicContact OE1-NE 2.71Å; E387-R409 PolarHBondContact OE1-NE 3.42Å; E387-R409 IonicContact OE1-NH2 2.65Å; E387-R409 IonicContact OE2-CZ 2.79Å; E387-R409 IonicContact OE2-NE 3.42Å; E387-R409 PolarHBondContact OE2-NE 3.39Å; E387-R409 IonicContact OE2-NH2 3.51Å; E387-R409 PolarHBondContact OE2-NH2 3Å; L394-R409 HydrophobicContact CD1-CB 4.27Å; R409-D411 PolarHBondContact O-N 3.35Å; R409-V412 WeakPolarHBondContact O-CB 3.43Å; R409-V412 PolarHBondContact O-N 2.93Å
410G86.6Confident90.8Very high29 Ų2938.5 Ų38.530%0.29920%0.196SC..G310 helixtrans-64-21.9175.900000114.5R408 V412 R627R408-G410 PolarHBondContact O-N 3.01Å; G410-V412 PolarHBondContact O-N 3.28Å; G410-R627 PolarHBondContact O-NH2 2.95Å
411D90.8Very high91.2Very high9 Ų938 Ų385%0.04820%0.197CC..G310 helixtrans-75.6-13.7177.4-58.2-47.5000112.1L337 P338 Y341 R408 R409 L413L337-D411 HydrophobicContact CD2-CB 4.04Å; P338-D411 WeakPolarHBondContact CD-O 3.44Å; Y341-D411 HydrophobicContact CE2-CB 4.07Å; Y341-D411 PolarHBondContact OH-OD2 2.89Å; R408-D411 WeakPolarHBondContact CA-OD2 3.29Å; R408-D411 WeakPolarHBondContact CB-OD2 3.27Å; R408-D411 IonicContact CZ-OD1 2.65Å; R408-D411 IonicContact CZ-OD2 3.75Å; R408-D411 PolarHBondContact N-OD2 3.01Å; R408-D411 IonicContact NE-OD1 2.69Å; R408-D411 PolarHBondContact NE-OD1 3.34Å; R408-D411 IonicContact NE-OD2 3.34Å; R408-D411 PolarHBondContact NE-OD2 3.42Å; R408-D411 VanDerWaalsContact NE-OD2 3.1Å; R408-D411 IonicContact NH2-OD1 2.98Å; R408-D411 PolarHBondContact NH2-OD1 2.81Å; R408-D411 IonicContact NH2-OD2 3.8Å; R408-D411 WeakPolarHBondContact O-CB 3.39Å; R408-D411 PolarHBondContact O-N 3.44Å; R409-D411 PolarHBondContact O-N 3.35Å; D411-L413 PolarHBondContact O-N 3.47Å
412V94.7Very high91.2Very high3 Ų340.4 Ų40.42%0.01821%0.21CC..  trans-73.4109.3176.91790000110.4I335 I336 L337 V390 L394 R409 G410 S414 R627I335-V412 HydrophobicContact CB-CG1 4.06Å; I335-V412 HydrophobicContact CD1-CG2 4.16Å; I335-V412 HydrophobicContact CG2-CG1 4.24Å; I336-V412 CarbonylContact O-C 3.51Å; I336-V412 WeakPolarHBondContact O-CA 3.41Å; L337-V412 HydrophobicContact CD2-CG2 3.93Å; V390-V412 HydrophobicContact CG1-CG2 4.09Å; L394-V412 HydrophobicContact CD1-CG2 4.02Å; L394-V412 HydrophobicContact CD2-CG2 3.71Å; L394-V412 HydrophobicContact CG-CG2 4.27Å; R409-V412 WeakPolarHBondContact O-CB 3.43Å; R409-V412 PolarHBondContact O-N 2.93Å; G410-V412 PolarHBondContact O-N 3.28Å; V412-S414 VanDerWaalsContact CG1-O 3.27Å; V412-S414 WeakPolarHBondContact CG1-O 3.39Å; V412-R627 PolarHBondContact O-NH2 3.47Å
413L95.9Very high91.3Very high32 Ų3240 Ų4017%0.16821%0.206CC..  trans-80.7-27.6-177.1-58.7179000113I336 Y367 D411 L580 N581 V582I336-L413 HydrophobicContact CB-CB 4.48Å; I336-L413 HydrophobicContact CG2-CB 4.22Å; I336-L413 HydrophobicContact CG2-CD1 4.18Å; I336-L413 PolarHBondContact O-N 3.23Å; Y367-L413 HydrophobicContact CD1-CD1 3.42Å; Y367-L413 VanDerWaalsContact CD1-CD1 3.42Å; Y367-L413 HydrophobicContact CE1-CD1 3.32Å; D411-L413 PolarHBondContact O-N 3.47Å; L413-L580 VanDerWaalsContact CB-O 3.28Å; L413-L580 WeakPolarHBondContact CB-O 3.46Å; L413-N581 HydrophobicContact CB-CB 4.38Å; L413-V582 WeakPolarHBondContact O-CG1 3.28Å; L413-V582 PolarHBondContact O-N 2.88Å
414S97.7Very high91.2Very high3 Ų339.2 Ų39.22%0.02119%0.188CC..EExtended strand (participates in β ladder)trans-162160.7174.170.80000109.2I335 I336 V412 F579I335-S414 WeakPolarHBondContact CA-O 3.29Å; I336-S414 WeakPolarHBondContact CB-OG 3.38Å; I336-S414 WeakPolarHBondContact CG1-OG 3.4Å; I336-S414 PolarHBondContact N-O 2.87Å; V412-S414 VanDerWaalsContact CG1-O 3.27Å; V412-S414 WeakPolarHBondContact CG1-O 3.39Å; S414-F579 WeakPolarHBondContact CB-O 3.44Å; S414-F579 PolarHBondContact OG-O 3.13Å
415S97.4Very high90.7Very high1 Ų136 Ų361%0.00718%0.175CC..EExtended strand (participates in β ladder)trans-142.5145.816757.40000109.6H334 P385 M622 G623H334-S415 VanDerWaalsContact O-CA 3.28Å; H334-S415 WeakPolarHBondContact O-CA 3.48Å; P385-S415 VanDerWaalsContact CG-OG 3.32Å; P385-S415 WeakPolarHBondContact CG-OG 3.41Å; S415-M622 PolarHBondContact N-O 2.95Å; S415-M622 CarbonylContact O-C 3.46Å; S415-M622 WeakPolarHBondContact O-CA 3.37Å; S415-G623 PolarHBondContact O-N 3.47Å; S415-G623 WeakPolarHBondContact OG-CA 3.34Å
416W97.2Very high89.9Confident0 Ų036.2 Ų36.20%018%0.18CC..EExtended strand (participates in β ladder)trans-142.8161.3176.47387.6000111.1V333 H334 I336 L369 F579 E621 M622V333-W416 VanDerWaalsContact CA-O 3.29Å; V333-W416 WeakPolarHBondContact CA-O 3.33Å; H334-W416 HydrophobicContact CB-CD2 4.02Å; H334-W416 HydrophobicContact CB-CE3 4.15Å; H334-W416 HydrophobicContact CB-CH2 3.5Å; H334-W416 HydrophobicContact CB-CZ2 3.32Å; H334-W416 HydrophobicContact CB-CZ3 3.88Å; H334-W416 AromaticContact CG-CE2 3.88Å; H334-W416 AromaticContact CG-CZ2 3.62Å; H334-W416 PolarHBondContact N-O 2.72Å; H334-W416 AromaticContact ND1-CE2 3.8Å; H334-W416 AromaticContact ND1-CZ2 3.92Å; H334-W416 AromaticContact ND1-NE1 3.45Å; H334-W416 PolarHBondContact ND1-NE1 3.47Å; H334-W416 PolarHBondContact O-N 2.95Å; I336-W416 HydrophobicContact CD1-CH2 3.79Å; I336-W416 HydrophobicContact CD1-CZ3 3.7Å; I336-W416 HydrophobicContact CG1-CH2 4.37Å; I336-W416 HydrophobicContact CG1-CZ3 3.78Å; L369-W416 HydrophobicContact CD1-CH2 3.68Å; L369-W416 HydrophobicContact CD1-CZ2 4.01Å; L369-W416 HydrophobicContact CG-CH2 3.92Å; W416-F579 HydrophobicContact CB-CE1 4.15Å; W416-F579 AromaticContact CD1-CE1 3.76Å; W416-F579 AromaticContact CD2-CD1 3.5Å; W416-F579 HydrophobicContact CD2-CD1 3.5Å; W416-F579 VanDerWaalsContact CD2-CD1 3.5Å; W416-F579 AromaticContact CD2-CE1 3.59Å; W416-F579 HydrophobicContact CD2-CE1 3.59Å; W416-F579 AromaticContact CE2-CD1 3.8Å; W416-F579 AromaticContact CE2-CE1 3.79Å; W416-F579 AromaticContact CE3-CD1 3.68Å; W416-F579 HydrophobicContact CE3-CD1 3.68Å; W416-F579 HydrophobicContact CE3-CE1 4.24Å; W416-F579 AromaticContact CG-CD1 3.93Å; W416-F579 HydrophobicContact CG-CD1 3.93Å; W416-F579 AromaticContact CG-CE1 3.53Å; W416-F579 HydrophobicContact CG-CE1 3.53Å; W416-F579 HydrophobicContact CG-CZ 4.49Å; W416-F579 HydrophobicContact CH2-CD1 4.34Å; W416-F579 HydrophobicContact CZ2-CD1 4.19Å; W416-F579 HydrophobicContact CZ3-CD1 4.13Å; W416-F579 AromaticContact NE1-CE1 3.92Å; W416-E621 WeakPolarHBondContact CA-O 3.44Å; W416-M622 HydrophobicContact CB-CE 3.94Å; W416-M622 HydrophobicContact CB-SD 4.49Å
417A96.3Very high89.3Confident0 Ų034.1 Ų34.10%017%0.173CC..EExtended strand (participates in β ladder)trans-122.3136.2175.700000111.3R115 L331 G332 V333 P383R115-A417 WeakPolarHBondContact CD-O 3.17Å; R115-A417 PolarHBondContact NH1-O 3.25Å; L331-A417 HydrophobicContact CD1-CB 3.74Å; L331-A417 HydrophobicContact CD2-CB 4.03Å; L331-A417 HydrophobicContact CG-CB 3.88Å; G332-A417 WeakPolarHBondContact O-CA 3.41Å; V333-A417 HydrophobicContact CG2-CB 3.86Å; P383-A417 HydrophobicContact CB-CB 4.21Å
418G95.1Very high88.5Confident5 Ų534.6 Ų34.65%0.05218%0.178CC..EExtended strand (participates in β ladder)trans-119.8141.7174.500000112.4G332G332-G418 PolarHBondContact N-O 2.96Å; G332-G418 PolarHBondContact O-N 3.37Å
419I95.4Very high87.2Confident7 Ų736.5 Ų36.54%0.03621%0.205CC..EExtended strand (participates in β ladder)trans-93.6124.7178-57.9172.5000110.1T112 P310 P329 S330 L331 L379 T380 P383T112-I419 WeakPolarHBondContact CB-O 3.18Å; T112-I419 WeakPolarHBondContact CG2-O 3.31Å; T112-I419 PolarHBondContact OG1-O 3.17Å; P310-I419 HydrophobicContact CB-CB 4.42Å; P310-I419 HydrophobicContact CB-CG2 3.69Å; P310-I419 HydrophobicContact CG-CB 3.98Å; P310-I419 HydrophobicContact CG-CG2 3.6Å; P329-I419 HydrophobicContact CB-CG2 3.48Å; P329-I419 VanDerWaalsContact CB-CG2 3.48Å; S330-I419 CarbonylContact O-C 3.56Å; S330-I419 WeakPolarHBondContact O-CA 3.4Å; L331-I419 HydrophobicContact CD1-CG1 3.97Å; L379-I419 HydrophobicContact CD1-CD1 4.35Å; T380-I419 HydrophobicContact CG2-CD1 4.27Å; P383-I419 HydrophobicContact CB-CD1 4.09Å; P383-I419 HydrophobicContact CB-CG1 3.94Å; P383-I419 HydrophobicContact CG-CD1 3.96Å; P383-I419 HydrophobicContact CG-CG1 3.96Å
420R92Very high86Confident63 Ų6338.3 Ų38.324%0.23822%0.218CC..EExtended strand (participates in β ladder)trans-86.5123.8173.3-62.7-177.3177.1101.116.8110.2P329 S330 T372 T373 D374 L422P329-R420 WeakPolarHBondContact CA-O 3.4Å; S330-R420 PolarHBondContact N-O 3.35Å; S330-R420 PolarHBondContact O-N 2.8Å; T372-R420 PolarHBondContact OG1-NH2 3.49Å; T373-R420 PolarHBondContact O-NH1 2.87Å; D374-R420 IonicContact OD1-NH1 3.44Å; R420-L422 VanDerWaalsContact C-N 3.29Å; R420-L422 HydrophobicContact CB-CD2 4.38Å; R420-L422 HydrophobicContact CB-CG 4.42Å; R420-L422 PolarHBondContact O-N 2.89Å
421P92.2Very high84.3Confident26 Ų2641.9 Ų41.917%0.16923%0.234CC..EExtended strand (participates in β ladder)trans-80.876.9173.832.6-33.5000109.8P310P310-P421 HydrophobicContact CG-CB 4.03Å; P310-P421 HydrophobicContact CG-CG 4.5Å
422L90.6Very high82.5Confident56 Ų5649.5 Ų49.529%0.29327%0.269SS..EExtended strand (participates in β ladder)trans-71138.6168-49.2176.5000107.7C327 Q328 R420 I434C327-L422 CarbonylContact C-O 3.54Å; C327-L422 WeakPolarHBondContact CA-O 3.07Å; Q328-L422 PolarHBondContact N-O 3.41Å; Q328-L422 VanDerWaalsContact O-CB 3.29Å; Q328-L422 WeakPolarHBondContact O-CB 3.39Å; R420-L422 VanDerWaalsContact C-N 3.29Å; R420-L422 HydrophobicContact CB-CD2 4.38Å; R420-L422 HydrophobicContact CB-CG 4.42Å; R420-L422 PolarHBondContact O-N 2.89Å; L422-I434 HydrophobicContact CB-CD1 4.24Å; L422-I434 HydrophobicContact CB-CG2 3.95Å; L422-I434 HydrophobicContact CD1-CD1 4.07Å
423V89.1Confident80.8Confident2 Ų251.5 Ų51.51%0.01228%0.283CS..EExtended strand (participates in β ladder)trans-131138.7-170.6179.30000110.9I326 I434 A435 I439 A451I326-V423 HydrophobicContact CB-CG1 4.12Å; I326-V423 HydrophobicContact CD1-CG1 3.96Å; I326-V423 HydrophobicContact CG1-CG1 4.3Å; I326-V423 CarbonylContact O-C 3.51Å; I326-V423 WeakPolarHBondContact O-CA 3.38Å; V423-I434 CarbonylContact O-C 3.57Å; V423-A435 WeakPolarHBondContact O-CB 3.42Å; V423-A435 PolarHBondContact O-N 3.18Å; V423-I439 HydrophobicContact CG1-CD1 3.52Å; V423-I439 HydrophobicContact CG1-CG1 3.86Å; V423-A451 HydrophobicContact CG1-CB 4.21Å; V423-A451 HydrophobicContact CG2-CB 3.81Å
424R84.4Confident79.4Confident100 Ų10053.1 Ų53.138%0.37729%0.292SS..BIsolated β-bridgetrans-91.3137.2167.1-62.6177.8-172.8178.26.1108.9I326 P426 T431I326-R424 PolarHBondContact O-N 3.41Å; R424-P426 VanDerWaalsContact O-CD 3.29Å; R424-P426 WeakPolarHBondContact O-CD 3.49Å; R424-T431 WeakPolarHBondContact CD-O 3.25Å
425D76.7Confident78Confident60 Ų6054.2 Ų54.232%0.32130%0.301SS..  trans-74.9115.8173-176.6-7.5000109.2N427 S428 I439D425-N427 PolarHBondContact O-N 2.68Å; D425-N427 VanDerWaalsContact O-N 3.15Å; D425-N427 WeakPolarHBondContact OD1-CB 3.28Å; D425-N427 PolarHBondContact OD1-N 3.22Å; D425-S428 PolarHBondContact O-N 3.3Å; D425-S428 VanDerWaalsContact O-N 3.13Å; D425-I439 HydrophobicContact CB-CG2 4.25Å
426P71.1Confident76.7Confident51 Ų5161.2 Ų61.233%0.33133%0.327SS..THydrogen-bonded Turntrans-64.9-15.5179.328.3-35.3000113.2I326 R424 I439I326-P426 HydrophobicContact CG2-CB 3.93Å; I326-P426 HydrophobicContact CG2-CG 4.04Å; R424-P426 VanDerWaalsContact O-CD 3.29Å; R424-P426 WeakPolarHBondContact O-CD 3.49Å; P426-I439 HydrophobicContact CG-CD1 4.39Å
427N72.3Confident75.9Confident106 Ų10662.6 Ų62.657%0.56733%0.334SS*.THydrogen-bonded Turntrans-97.9-4.6178.4-57.5-66.1000113.2D425D425-N427 PolarHBondContact O-N 2.68Å; D425-N427 VanDerWaalsContact O-N 3.15Å; D425-N427 WeakPolarHBondContact OD1-CB 3.28Å; D425-N427 PolarHBondContact OD1-N 3.22Å
428S70.4Confident75.7Confident39 Ų3963.7 Ų63.727%0.27334%0.339SS..  trans-77.3140.5176.21800000111D425 D430D425-S428 PolarHBondContact O-N 3.3Å; D425-S428 VanDerWaalsContact O-N 3.13Å; S428-D430 VanDerWaalsContact C-N 3.26Å; S428-D430 PolarHBondContact OG-N 3.37Å; S428-D430 VanDerWaalsContact OG-N 3.13Å; S428-D430 PolarHBondContact OG-O 3.46Å
429S57.5Low75.6Confident127 Ų12764.1 Ų64.189%0.88834%0.341SS*.SBendtrans-71.2-22.3170.151.30000112.7T431S429-T431 PolarHBondContact O-N 2.88Å
430D62.5Low75.6Confident86 Ų8666 Ų6646%0.4635%0.35SS..  trans-94.890.8176.7-176-3.1000110.5S428 Q432 S433S428-D430 VanDerWaalsContact C-N 3.26Å; S428-D430 PolarHBondContact OG-N 3.37Å; S428-D430 VanDerWaalsContact OG-N 3.13Å; S428-D430 PolarHBondContact OG-O 3.46Å; D430-Q432 PolarHBondContact O-N 2.93Å; D430-Q432 PolarHBondContact OD1-N 3.08Å; D430-Q432 VanDerWaalsContact OD1-N 3.13Å; D430-S433 PolarHBondContact O-N 3.31Å; D430-S433 PolarHBondContact O-OG 2.9Å; D430-S433 PolarHBondContact OD1-N 2.85Å; D430-S433 WeakPolarHBondContact OD2-CB 3.23Å
431T51.9Low75.8Confident103 Ų10364.1 Ų64.163%0.63235%0.345SS*.THydrogen-bonded Turntrans-68-10.6-178.457.10000114.4R424 S429R424-T431 WeakPolarHBondContact CD-O 3.25Å; S429-T431 PolarHBondContact O-N 2.88Å
432Q51.9Low76Confident170 Ų17064.6 Ų64.679%0.79435%0.347SS*.THydrogen-bonded Turntrans-92.6-20175.2-66.3-157.9-14.600113D430 I434D430-Q432 PolarHBondContact O-N 2.93Å; D430-Q432 PolarHBondContact OD1-N 3.08Å; D430-Q432 VanDerWaalsContact OD1-N 3.13Å; Q432-I434 PolarHBondContact O-N 3.26Å
433S59.5Low76.2Confident45 Ų4562.4 Ų62.432%0.31534%0.337SS..PPolyproline II helixtrans-76.2119.2-177.768.20000112.4D430D430-S433 PolarHBondContact O-N 3.31Å; D430-S433 PolarHBondContact O-OG 2.9Å; D430-S433 PolarHBondContact OD1-N 2.85Å; D430-S433 WeakPolarHBondContact OD2-CB 3.23Å
434I67Low76.4Confident66 Ų6667.5 Ų67.534%0.33837%0.369SS..BIsolated β-bridgetrans-73130169.4-63.3174.5000108.3L422 V423 Q432 R436L422-I434 HydrophobicContact CB-CD1 4.24Å; L422-I434 HydrophobicContact CB-CG2 3.95Å; L422-I434 HydrophobicContact CD1-CD1 4.07Å; V423-I434 CarbonylContact O-C 3.57Å; Q432-I434 PolarHBondContact O-N 3.26Å; I434-R436 PolarHBondContact O-N 3.01Å
435A67.9Low76.9Confident26 Ų2662.9 Ų62.922%0.21535%0.353CS..PPolyproline II helixtrans-57.2121.7172.200000109.3V423 N437 I439V423-A435 WeakPolarHBondContact O-CB 3.42Å; V423-A435 PolarHBondContact O-N 3.18Å; A435-N437 PolarHBondContact O-N 2.89Å; A435-I439 HydrophobicContact CB-CG2 3.99Å
436R70.1Confident77.8Confident147 Ų14763.5 Ų63.556%0.55535%0.352SS*.SBendtrans-76-14.1-177.2-56.8-173.7-156.4-175.412.7113.1D135 M141 I434D135-R436 IonicContact OD2-NH1 2.83Å; M141-R436 HydrophobicContact CE-CB 4.25Å; M141-R436 HydrophobicContact SD-CB 4.35Å; I434-R436 PolarHBondContact O-N 3.01Å
437N80.3Confident79.1Confident29 Ų2961.1 Ų61.116%0.15534%0.337CS..SBendtrans-119.9-141.5176.8-158.8-9000109.5M141 A435 G453M141-N437 HydrophobicContact SD-CB 4.06Å; A435-N437 PolarHBondContact O-N 2.89Å; N437-G453 PolarHBondContact O-N 3.5Å
438H91.6Very high80.4Confident23 Ų2356.1 Ų56.111%0.10631%0.31CS..EExtended strand (participates in β ladder)trans-106.5164.7172.865.1-79.9000110.6I450 A451 M461 E464H438-I450 HydrophobicContact CB-CD1 3.89Å; H438-I450 WeakPolarHBondContact CD2-CD1 3.47Å; H438-A451 CarbonylContact C-O 3.56Å; H438-A451 VanDerWaalsContact CA-O 3.28Å; H438-A451 WeakPolarHBondContact CA-O 3.37Å; H438-A451 WeakPolarHBondContact CB-O 3.32Å; H438-M461 HydrophobicContact CB-CG 4.15Å; H438-M461 HydrophobicContact CB-SD 3.53Å; H438-M461 VanDerWaalsContact CB-SD 3.53Å; H438-M461 WeakPolarHBondContact ND1-CG 3.29Å; H438-E464 IonicContact CE1-OE2 3.17Å; H438-E464 IonicContact NE2-OE2 3.79Å; H438-E464 PolarHBondContact NE2-OE2 2.84Å
439I93.8Very high81.7Confident15 Ų1554.4 Ų54.48%0.07730%0.298CS..EExtended strand (participates in β ladder)trans-122.9147.1170.266.5168.3000110I326 V423 D425 P426 A435 I450 A451I326-I439 HydrophobicContact CD1-CD1 3.84Å; V423-I439 HydrophobicContact CG1-CD1 3.52Å; V423-I439 HydrophobicContact CG1-CG1 3.86Å; D425-I439 HydrophobicContact CB-CG2 4.25Å; P426-I439 HydrophobicContact CG-CD1 4.39Å; A435-I439 HydrophobicContact CB-CG2 3.99Å; I439-I450 WeakPolarHBondContact O-CA 3.46Å; I439-I450 WeakPolarHBondContact O-CD1 3.32Å; I439-A451 HydrophobicContact CG1-CB 4.24Å; I439-A451 PolarHBondContact N-O 2.9Å; I439-A451 PolarHBondContact O-N 3.1Å; I439-A451 VanDerWaalsContact O-N 3.1Å
440I96.1Very high83.6Confident45 Ų4548.6 Ų48.623%0.23126%0.257CS..EExtended strand (participates in β ladder)trans-117.3101.1168.6-61.1165.6000107.5I448 T449 I450 E464 K468I440-I448 HydrophobicContact CG2-CG2 3.83Å; I440-T449 CarbonylContact C-O 3.56Å; I440-T449 WeakPolarHBondContact CA-O 3.01Å; I440-I450 HydrophobicContact CG1-CD1 3.8Å; I440-E464 HydrophobicContact CD1-CB 3.66Å; I440-K468 HydrophobicContact CG2-CB 4.19Å; I440-K468 HydrophobicContact CG2-CG 3.92Å
441D95.3Very high85.2Confident25 Ų2544.6 Ų44.613%0.13424%0.236CC..EExtended strand (participates in β ladder)trans-94.1140.8177.3-175.839.1000110.2R316 I448 T449R316-D441 IonicContact NE-OD2 3.35Å; R316-D441 IonicContact NH2-OD2 3.59Å; R316-D441 PolarHBondContact NH2-OD2 3.19Å; D441-I448 CarbonylContact O-C 3.6Å; D441-I448 WeakPolarHBondContact O-CA 3.17Å; D441-T449 PolarHBondContact N-O 3.24Å; D441-T449 PolarHBondContact O-N 3.19Å
442V96.6Very high87.1Confident35 Ų3540.3 Ų40.321%0.21221%0.212CC..EExtended strand (participates in β ladder)trans-125.2111.9177.9-177.90000108L447 I448 K468 V472V442-L447 WeakPolarHBondContact CA-O 3.29Å; V442-I448 HydrophobicContact CG1-CG1 4.5Å; V442-I448 HydrophobicContact CG2-CG1 4.2Å; V442-K468 HydrophobicContact CG2-CD 4.42Å; V442-K468 VanDerWaalsContact CG2-CE 3.48Å; V442-K468 HydrophobicContact CG2-CG 4.01Å; V442-V472 HydrophobicContact CG1-CG1 3.8Å; V442-V472 HydrophobicContact CG1-CG2 4.18Å; V442-V472 HydrophobicContact CG2-CG2 4.24Å
443S95Very high89Confident11 Ų1133.6 Ų33.68%0.07719%0.188CC..  trans-71162.3-179.780.50000111.6D319 S445 K446 L447D319-S443 WeakPolarHBondContact OD2-CB 3.07Å; D319-S443 PolarHBondContact OD2-OG 2.83Å; S443-S445 PolarHBondContact O-N 2.96Å; S443-S445 VanDerWaalsContact O-N 3.15Å; S443-S445 PolarHBondContact OG-N 3.31Å; S443-S445 PolarHBondContact OG-OG 3.15Å; S443-K446 WeakPolarHBondContact O-CA 3.46Å; S443-K446 PolarHBondContact O-N 3.17Å; S443-L447 PolarHBondContact N-O 2.58Å; S443-L447 WeakPolarHBondContact OG-CB 3.49Å; S443-L447 PolarHBondContact OG-N 3.1Å; S443-L447 VanDerWaalsContact OG-N 3.11Å
444P93.3Very high90.4Very high108 Ų10833.4 Ų33.470%0.70118%0.182SC*.THydrogen-bonded Turntrans-56.8-28175.5-27.136.3000114.2V280 K446V280-P444 HydrophobicContact CG1-CB 4.2Å; P444-K446 VanDerWaalsContact C-N 3.25Å; P444-K446 PolarHBondContact O-N 2.77Å
445S95Very high91.7Very high3 Ų332 Ų322%0.02117%0.172CC..THydrogen-bonded Turntrans-84.33.8175.864.50000113.1P281 T282 V283 D319 S443P281-S445 WeakPolarHBondContact O-CA 3.25Å; P281-S445 WeakPolarHBondContact O-CB 3.49Å; T282-S445 CarbonylContact C-O 3.56Å; T282-S445 WeakPolarHBondContact CA-O 3.45Å; V283-S445 PolarHBondContact N-O 2.91Å; D319-S445 WeakPolarHBondContact OD1-CB 3.43Å; D319-S445 PolarHBondContact OD1-OG 3.4Å; D319-S445 PolarHBondContact OD2-OG 3.2Å; S443-S445 PolarHBondContact O-N 2.96Å; S443-S445 VanDerWaalsContact O-N 3.15Å; S443-S445 PolarHBondContact OG-N 3.31Å; S443-S445 PolarHBondContact OG-OG 3.15Å
446K95.5Very high93Very high73 Ų7330.9 Ų30.932%0.31716%0.163SC..  trans69.424.3-176.9-51.9-175.8173.9-164.30115.6T282 S443 P444 I448 V472T282-K446 HydrophobicContact CG2-CD 4.34Å; S443-K446 WeakPolarHBondContact O-CA 3.46Å; S443-K446 PolarHBondContact O-N 3.17Å; P444-K446 VanDerWaalsContact C-N 3.25Å; P444-K446 PolarHBondContact O-N 2.77Å; K446-I448 PolarHBondContact O-N 2.88Å; K446-V472 HydrophobicContact CB-CG1 3.99Å; K446-V472 HydrophobicContact CD-CG1 4.08Å; K446-V472 HydrophobicContact CG-CG1 4.01Å; K446-V472 PolarHBondContact NZ-O 2.95Å
447L97.9Very high94.2Very high2 Ų224.1 Ų24.11%0.0114%0.138CC..  trans-68.2126.6162.2-17967.5000108.5V283 V304 N306 I315 D319 V442 S443V283-L447 HydrophobicContact CG2-CB 4.17Å; V304-L447 HydrophobicContact CB-CD1 4.04Å; V304-L447 HydrophobicContact CG1-CD1 3.78Å; N306-L447 HydrophobicContact CB-CD1 4.44Å; I315-L447 HydrophobicContact CG2-CD2 4.32Å; D319-L447 HydrophobicContact CB-CB 4.5Å; D319-L447 HydrophobicContact CB-CD2 3.67Å; V442-L447 WeakPolarHBondContact CA-O 3.29Å; S443-L447 PolarHBondContact N-O 2.58Å; S443-L447 WeakPolarHBondContact OG-CB 3.49Å; S443-L447 PolarHBondContact OG-N 3.1Å; S443-L447 VanDerWaalsContact OG-N 3.11Å
448I98.5Very high95.1Very high0 Ų023 Ų230%013%0.132CC..EExtended strand (participates in β ladder)trans-99.3125.3175.4-57.9-175.6000108.4V304 I305 N306 I440 D441 V442 K446 T465 A469 V472V304-I448 PolarHBondContact O-N 3.25Å; V304-I448 VanDerWaalsContact O-N 3.15Å; I305-I448 CarbonylContact C-O 3.54Å; I305-I448 VanDerWaalsContact CA-O 3.31Å; I305-I448 WeakPolarHBondContact CA-O 3.42Å; I305-I448 HydrophobicContact CG1-CB 4.33Å; N306-I448 PolarHBondContact N-O 3.3Å; I440-I448 HydrophobicContact CG2-CG2 3.83Å; D441-I448 CarbonylContact O-C 3.6Å; D441-I448 WeakPolarHBondContact O-CA 3.17Å; V442-I448 HydrophobicContact CG1-CG1 4.5Å; V442-I448 HydrophobicContact CG2-CG1 4.2Å; K446-I448 PolarHBondContact O-N 2.88Å; I448-T465 HydrophobicContact CG2-CG2 4.14Å; I448-A469 HydrophobicContact CD1-CB 3.76Å; I448-V472 HydrophobicContact CD1-CB 4.24Å; I448-V472 HydrophobicContact CD1-CG1 4.45Å
449T98.4Very high95.4Very high3 Ų322.4 Ų22.42%0.01813%0.129CC..EExtended strand (participates in β ladder)trans-116.2122.4177.3-64.70000110.3N306 T312 R316 I440 D441 A451N306-T449 HydrophobicContact CB-CG2 4.38Å; N306-T449 WeakPolarHBondContact ND2-CG2 3.32Å; N306-T449 PolarHBondContact ND2-OG1 3.32Å; T312-T449 WeakPolarHBondContact OG1-CG2 3.2Å; R316-T449 HydrophobicContact CG-CG2 4.22Å; I440-T449 CarbonylContact C-O 3.56Å; I440-T449 WeakPolarHBondContact CA-O 3.01Å; D441-T449 PolarHBondContact N-O 3.24Å; D441-T449 PolarHBondContact O-N 3.19Å; T449-A451 HydrophobicContact CG2-CB 4.3Å
450I97.9Very high95.5Very high5 Ų522 Ų223%0.02613%0.127CC..EExtended strand (participates in β ladder)trans-102.8120.8168.1173.962.4000108.6T85 I305 N306 A307 H438 I439 I440 M461 T465T85-I450 HydrophobicContact CG2-CB 4.46Å; T85-I450 HydrophobicContact CG2-CG1 3.6Å; T85-I450 HydrophobicContact CG2-CG2 3.94Å; I305-I450 HydrophobicContact CG2-CG2 4.11Å; N306-I450 WeakPolarHBondContact O-CG2 3.48Å; N306-I450 PolarHBondContact O-N 3.38Å; A307-I450 HydrophobicContact CB-CG2 3.68Å; H438-I450 HydrophobicContact CB-CD1 3.89Å; H438-I450 WeakPolarHBondContact CD2-CD1 3.47Å; I439-I450 WeakPolarHBondContact O-CA 3.46Å; I439-I450 WeakPolarHBondContact O-CD1 3.32Å; I440-I450 HydrophobicContact CG1-CD1 3.8Å; I450-M461 HydrophobicContact CD1-CB 4.29Å; I450-T465 HydrophobicContact CB-CG2 4.19Å; I450-T465 HydrophobicContact CG2-CG2 4.14Å
451A95.6Very high95.6Very high3 Ų319.9 Ų19.93%0.02512%0.116CC..EExtended strand (participates in β ladder)trans-139.5148.6-177.500000112T312 I326 V423 H438 I439 T449T312-A451 HydrophobicContact CG2-CB 4.16Å; I326-A451 HydrophobicContact CD1-CB 4.04Å; V423-A451 HydrophobicContact CG1-CB 4.21Å; V423-A451 HydrophobicContact CG2-CB 3.81Å; H438-A451 CarbonylContact C-O 3.56Å; H438-A451 VanDerWaalsContact CA-O 3.28Å; H438-A451 WeakPolarHBondContact CA-O 3.37Å; H438-A451 WeakPolarHBondContact CB-O 3.32Å; I439-A451 HydrophobicContact CG1-CB 4.24Å; I439-A451 PolarHBondContact N-O 2.9Å; I439-A451 PolarHBondContact O-N 3.1Å; I439-A451 VanDerWaalsContact O-N 3.1Å; T449-A451 HydrophobicContact CG2-CB 4.3Å
452G92.8Very high95.7Very high12 Ų1218.8 Ų18.812%0.12411%0.11CC..EExtended strand (participates in β ladder)trans80.9-154.2-177.900000113.3
453G90Very high95.8Very high29 Ų2919.9 Ų19.930%0.29911%0.113SC..  trans76.8-170.4-177.600000114.9N437N437-G453 PolarHBondContact O-N 3.5Å
454K90.7Very high96Very high41 Ų4123.2 Ų23.218%0.17813%0.128CC..  trans-120.3152.3-172.9-64170.1-171.11530110.5Y126 T456 T457 Y458 M461Y126-K454 VanDerWaalsContact CE2-CE 3.4Å; Y126-K454 VanDerWaalsContact CZ-NZ 3.27Å; Y126-K454 WeakPolarHBondContact OH-CE 3.26Å; Y126-K454 PolarHBondContact OH-NZ 2.56Å; K454-T456 VanDerWaalsContact C-N 3.27Å; K454-T456 PolarHBondContact O-N 2.96Å; K454-T457 PolarHBondContact O-N 2.67Å; K454-T457 VanDerWaalsContact O-N 3.12Å; K454-T457 PolarHBondContact O-OG1 2.8Å; K454-Y458 PolarHBondContact O-N 2.95Å; K454-M461 WeakPolarHBondContact O-CE 3.38Å
455W94.3Very high96.2Very high36 Ų3618.1 Ų18.114%0.1369%0.094CC..G310 helixtrans-53.9-46.5173.1-156.3110.6000111A84 S113 L152 M233 C234 I237 T457 Y458A84-W455 HydrophobicContact CB-CD2 4.37Å; A84-W455 HydrophobicContact CB-CZ2 4.1Å; S113-W455 PolarHBondContact O-NE1 2.86Å; S113-W455 VanDerWaalsContact O-NE1 3.15Å; L152-W455 HydrophobicContact CD1-CE3 4.16Å; L152-W455 HydrophobicContact CD1-CZ3 3.71Å; L152-W455 HydrophobicContact CD2-CH2 4.26Å; L152-W455 HydrophobicContact CD2-CZ3 3.76Å; L152-W455 HydrophobicContact CG-CZ3 4.4Å; M233-W455 HydrophobicContact CB-CH2 3.83Å; M233-W455 HydrophobicContact CB-CZ2 4.01Å; M233-W455 HydrophobicContact CG-CH2 3.26Å; M233-W455 HydrophobicContact CG-CZ2 3.94Å; M233-W455 HydrophobicContact CG-CZ3 4.17Å; C234-W455 HydrophobicContact CB-CZ2 4.5Å; I237-W455 HydrophobicContact CD1-CH2 4.31Å; W455-T457 PolarHBondContact O-N 3.45Å; W455-T457 VanDerWaalsContact O-N 3.15Å; W455-Y458 HydrophobicContact CZ3-CD1 4.21Å; W455-Y458 HydrophobicContact CZ3-CE1 4.5Å; W455-Y458 WeakPolarHBondContact O-CB 3.49Å; W455-Y458 PolarHBondContact O-N 3.18Å; W455-Y458 VanDerWaalsContact O-N 3.15Å
456T95.2Very high96.4Very high4 Ų418 Ų183%0.0259%0.093CC..G310 helixtrans-52.1-38.8178.3-53.90000113.6I120 H121 A145 E148 R149 L152 K454I120-T456 HydrophobicContact CG2-CG2 3.52Å; H121-T456 PolarHBondContact N-OG1 3.45Å; H121-T456 PolarHBondContact O-OG1 2.72Å; A145-T456 WeakPolarHBondContact O-CG2 3.32Å; E148-T456 HydrophobicContact CB-CG2 4.19Å; E148-T456 VanDerWaalsContact CB-O 3.26Å; E148-T456 WeakPolarHBondContact CB-O 3.44Å; R149-T456 HydrophobicContact CB-CG2 4.08Å; L152-T456 WeakPolarHBondContact CD1-O 3.42Å; K454-T456 VanDerWaalsContact C-N 3.27Å; K454-T456 PolarHBondContact O-N 2.96Å
457T95.2Very high96.6Very high4 Ų417.1 Ų17.13%0.0259%0.092CC..G310 helixtrans-97.516.5-173.358.70000113E144 A145 E148 K454 W455 R459 S460 M461E144-T457 HydrophobicContact CG-CG2 4.34Å; A145-T457 HydrophobicContact CB-CG2 4.49Å; E148-T457 HydrophobicContact CG-CG2 4.36Å; K454-T457 PolarHBondContact O-N 2.67Å; K454-T457 VanDerWaalsContact O-N 3.12Å; K454-T457 PolarHBondContact O-OG1 2.8Å; W455-T457 PolarHBondContact O-N 3.45Å; W455-T457 VanDerWaalsContact O-N 3.15Å; T457-R459 PolarHBondContact O-N 3.41Å; T457-R459 VanDerWaalsContact O-N 3.1Å; T457-S460 PolarHBondContact O-N 2.86Å; T457-S460 PolarHBondContact O-OG 2.82Å; T457-M461 VanDerWaalsContact O-CG 3.31Å; T457-M461 WeakPolarHBondContact O-CG 3.39Å; T457-M461 PolarHBondContact O-N 2.72Å
458Y97.3Very high96.6Very high5 Ų520.7 Ų20.72%0.0211%0.108CC..Hα-helixtrans-52.9-37.1-177.785.8-78.5000113A84 L152 I237 K454 W455 A462A84-Y458 WeakPolarHBondContact O-CD2 3.45Å; L152-Y458 HydrophobicContact CD1-CD1 4.42Å; L152-Y458 HydrophobicContact CD1-CE1 4.26Å; L152-Y458 HydrophobicContact CD2-CD1 4.37Å; L152-Y458 HydrophobicContact CD2-CE1 3.56Å; L152-Y458 HydrophobicContact CG-CE1 4.01Å; I237-Y458 HydrophobicContact CD1-CD2 4Å; I237-Y458 HydrophobicContact CD1-CE1 4.07Å; I237-Y458 HydrophobicContact CD1-CE2 3.43Å; I237-Y458 VanDerWaalsContact CD1-CE2 3.43Å; I237-Y458 VanDerWaalsContact CD1-CZ 3.45Å; I237-Y458 HydrophobicContact CG1-CE2 4.08Å; I237-Y458 HydrophobicContact CG2-CE2 4.1Å; K454-Y458 PolarHBondContact O-N 2.95Å; W455-Y458 HydrophobicContact CZ3-CD1 4.21Å; W455-Y458 HydrophobicContact CZ3-CE1 4.5Å; W455-Y458 WeakPolarHBondContact O-CB 3.49Å; W455-Y458 PolarHBondContact O-N 3.18Å; W455-Y458 VanDerWaalsContact O-N 3.15Å; Y458-A462 VanDerWaalsContact O-CB 3.28Å; Y458-A462 WeakPolarHBondContact O-CB 3.38Å; Y458-A462 PolarHBondContact O-N 2.76Å
459R98.1Very high96.6Very high12 Ų1220.7 Ų20.75%0.04511%0.108CC..Hα-helixtrans-71.9-42.7-176.7-173.2-137.763.473.91.6112.1E148 T457 A462 E463 T483E148-R459 VanDerWaalsContact CD-NE 3.32Å; E148-R459 IonicContact OE1-CZ 3.27Å; E148-R459 IonicContact OE1-NE 3.77Å; E148-R459 PolarHBondContact OE1-NE 3.06Å; E148-R459 VanDerWaalsContact OE1-NE 3.16Å; E148-R459 IonicContact OE1-NH2 3.67Å; E148-R459 PolarHBondContact OE1-NH2 3Å; E148-R459 WeakPolarHBondContact OE2-CD 3.36Å; E148-R459 IonicContact OE2-CZ 3.77Å; E148-R459 IonicContact OE2-NE 3.19Å; E148-R459 PolarHBondContact OE2-NE 3.33Å; E148-R459 IonicContact OE2-NH2 3.8Å; T457-R459 PolarHBondContact O-N 3.41Å; T457-R459 VanDerWaalsContact O-N 3.1Å; R459-A462 WeakPolarHBondContact O-CB 3.46Å; R459-A462 PolarHBondContact O-N 2.88Å; R459-E463 IonicContact CZ-OE2 2.8Å; R459-E463 IonicContact NH1-OE2 3.74Å; R459-E463 PolarHBondContact NH1-OE2 3.04Å; R459-E463 IonicContact NH2-OE2 2.79Å; R459-E463 PolarHBondContact NH2-OE2 2.75Å; R459-E463 VanDerWaalsContact NH2-OE2 3.08Å; R459-E463 PolarHBondContact O-N 3.21Å; R459-T483 WeakPolarHBondContact CG-OG1 3.34Å; R459-T483 PolarHBondContact NH1-OG1 3.12Å
460S97.1Very high96.6Very high6 Ų622 Ų224%0.04211%0.114CC..Hα-helixtrans-66.9-41.6174.855.50000111.1E144 T457 A462 E463 E464E144-S460 VanDerWaalsContact OE1-CB 3.22Å; E144-S460 WeakPolarHBondContact OE1-CB 3.12Å; E144-S460 PolarHBondContact OE1-OG 2.84Å; T457-S460 PolarHBondContact O-N 2.86Å; T457-S460 PolarHBondContact O-OG 2.82Å; S460-A462 VanDerWaalsContact C-N 3.29Å; S460-A462 PolarHBondContact O-N 2.96Å; S460-E463 PolarHBondContact O-N 3.49Å; S460-E464 WeakPolarHBondContact O-CG 3.31Å; S460-E464 PolarHBondContact O-N 2.69Å
461M97.6Very high96.6Very high1 Ų129.7 Ų29.71%0.00515%0.147CC..Hα-helixtrans-57.7-42.6172.6-66.4-169.3-6500112T85 H438 I450 K454 T457 T465T85-M461 HydrophobicContact CG2-CB 4.39Å; T85-M461 HydrophobicContact CG2-CE 4.49Å; H438-M461 HydrophobicContact CB-CG 4.15Å; H438-M461 HydrophobicContact CB-SD 3.53Å; H438-M461 VanDerWaalsContact CB-SD 3.53Å; H438-M461 WeakPolarHBondContact ND1-CG 3.29Å; I450-M461 HydrophobicContact CD1-CB 4.29Å; K454-M461 WeakPolarHBondContact O-CE 3.38Å; T457-M461 VanDerWaalsContact O-CG 3.31Å; T457-M461 WeakPolarHBondContact O-CG 3.39Å; T457-M461 PolarHBondContact O-N 2.72Å; M461-T465 VanDerWaalsContact O-CB 3.28Å; M461-T465 WeakPolarHBondContact O-CB 3.47Å; M461-T465 PolarHBondContact O-N 2.97Å; M461-T465 PolarHBondContact O-OG1 3.21Å
462A98.7Very high96.6Very high1 Ų130.5 Ų30.51%0.00815%0.152CC..Hα-helixtrans-63-46.6176.500000112.1G88 V89 Y458 R459 S460 T465 V466G88-A462 WeakPolarHBondContact O-CB 3.44Å; V89-A462 HydrophobicContact CB-CB 4.5Å; V89-A462 HydrophobicContact CG2-CB 3.96Å; Y458-A462 VanDerWaalsContact O-CB 3.28Å; Y458-A462 WeakPolarHBondContact O-CB 3.38Å; Y458-A462 PolarHBondContact O-N 2.76Å; R459-A462 WeakPolarHBondContact O-CB 3.46Å; R459-A462 PolarHBondContact O-N 2.88Å; S460-A462 VanDerWaalsContact C-N 3.29Å; S460-A462 PolarHBondContact O-N 2.96Å; A462-T465 PolarHBondContact O-N 3.27Å; A462-V466 WeakPolarHBondContact O-CG2 3.21Å; A462-V466 PolarHBondContact O-N 2.78Å
463E98.5Very high96.8Very high59 Ų5930.8 Ų30.828%0.27615%0.152SC..Hα-helixtrans-57.9-50.4177.2176.6173.3-153.100112.3D92 R96 R459 S460 T465 V466 D467 C481D92-E463 VanDerWaalsContact OD2-CA 3.3Å; D92-E463 WeakPolarHBondContact OD2-CA 3.3Å; R96-E463 PolarHBondContact NH2-O 2.88Å; R459-E463 IonicContact CZ-OE2 2.8Å; R459-E463 IonicContact NH1-OE2 3.74Å; R459-E463 PolarHBondContact NH1-OE2 3.04Å; R459-E463 IonicContact NH2-OE2 2.79Å; R459-E463 PolarHBondContact NH2-OE2 2.75Å; R459-E463 VanDerWaalsContact NH2-OE2 3.08Å; R459-E463 PolarHBondContact O-N 3.21Å; S460-E463 PolarHBondContact O-N 3.49Å; E463-T465 VanDerWaalsContact C-N 3.3Å; E463-T465 PolarHBondContact O-N 3.29Å; E463-V466 PolarHBondContact O-N 3.41Å; E463-D467 WeakPolarHBondContact O-CB 3.26Å; E463-D467 VanDerWaalsContact O-CG 3.28Å; E463-D467 PolarHBondContact O-N 3.12Å; E463-C481 HydrophobicContact CG-CB 4.42Å
464E98.1Very high97.1Very high81 Ų8134.5 Ų34.538%0.37917%0.165SC..Hα-helixtrans-62.3-38.7178.3-69.7-174.8-150.700111.9H438 I440 S460 K468H438-E464 IonicContact CE1-OE2 3.17Å; H438-E464 IonicContact NE2-OE2 3.79Å; H438-E464 PolarHBondContact NE2-OE2 2.84Å; I440-E464 HydrophobicContact CD1-CB 3.66Å; S460-E464 WeakPolarHBondContact O-CG 3.31Å; S460-E464 PolarHBondContact O-N 2.69Å; E464-K468 WeakPolarHBondContact O-CB 3.46Å; E464-K468 PolarHBondContact O-N 3.25Å
465T98.7Very high97.4Very high0 Ų032.8 Ų32.80%016%0.158CC..Hα-helixtrans-66.8-45.1178.6-57.50000111.4V89 I305 I448 I450 M461 A462 E463 K468 A469V89-T465 HydrophobicContact CG2-CG2 4.12Å; I305-T465 HydrophobicContact CD1-CG2 4.15Å; I305-T465 HydrophobicContact CG2-CG2 3.66Å; I448-T465 HydrophobicContact CG2-CG2 4.14Å; I450-T465 HydrophobicContact CB-CG2 4.19Å; I450-T465 HydrophobicContact CG2-CG2 4.14Å; M461-T465 VanDerWaalsContact O-CB 3.28Å; M461-T465 WeakPolarHBondContact O-CB 3.47Å; M461-T465 PolarHBondContact O-N 2.97Å; M461-T465 PolarHBondContact O-OG1 3.21Å; A462-T465 PolarHBondContact O-N 3.27Å; E463-T465 VanDerWaalsContact C-N 3.3Å; E463-T465 PolarHBondContact O-N 3.29Å; T465-K468 PolarHBondContact O-N 3.41Å; T465-A469 WeakPolarHBondContact O-CB 3.32Å; T465-A469 PolarHBondContact O-N 3.08Å
466V98.8Very high97.6Very high0 Ų037.7 Ų37.70%018%0.18CC..Hα-helixtrans-69-38.2178.1176.20000111.1V89 D92 A93 L98 A462 E463 K468 A469 I470V89-V466 HydrophobicContact CG1-CG2 3.93Å; D92-V466 HydrophobicContact CB-CG2 4.1Å; D92-V466 WeakPolarHBondContact OD2-CB 3.29Å; A93-V466 HydrophobicContact CB-CG1 4.43Å; A93-V466 HydrophobicContact CB-CG2 4.16Å; L98-V466 HydrophobicContact CD1-CG1 4.33Å; A462-V466 WeakPolarHBondContact O-CG2 3.21Å; A462-V466 PolarHBondContact O-N 2.78Å; E463-V466 PolarHBondContact O-N 3.41Å; V466-K468 VanDerWaalsContact C-N 3.3Å; V466-K468 PolarHBondContact O-N 3.03Å; V466-A469 WeakPolarHBondContact O-CB 3.3Å; V466-A469 PolarHBondContact O-N 2.75Å; V466-I470 HydrophobicContact CG1-CD1 3.91Å; V466-I470 HydrophobicContact CG1-CG1 4.38Å; V466-I470 WeakPolarHBondContact O-CD1 3.32Å; V466-I470 VanDerWaalsContact O-CG1 3.28Å; V466-I470 WeakPolarHBondContact O-CG1 3.32Å; V466-I470 PolarHBondContact O-N 3.27Å
467D98.7Very high97.7Very high56 Ų5639.7 Ų39.730%0.29919%0.193SC..Hα-helixtrans-59.9-40.8172.8-78.8-0000112R96 E463 K471R96-D467 IonicContact CZ-OD1 3.85Å; R96-D467 VanDerWaalsContact CZ-OD1 3.27Å; R96-D467 IonicContact NH1-OD1 2.77Å; R96-D467 PolarHBondContact NH1-OD1 3.2Å; R96-D467 IonicContact NH2-OD1 2.67Å; R96-D467 PolarHBondContact NH2-OD1 2.85Å; E463-D467 WeakPolarHBondContact O-CB 3.26Å; E463-D467 VanDerWaalsContact O-CG 3.28Å; E463-D467 PolarHBondContact O-N 3.12Å; D467-K471 WeakPolarHBondContact O-CG 3.49Å; D467-K471 PolarHBondContact O-N 2.89Å
468K98.5Very high97.8Very high76 Ų7645.4 Ų45.433%0.3323%0.228SC..Hα-helixtrans-66.2-43.4173.9-170.668.8172-1700111.2I440 V442 E464 T465 V466 I470 K471 V472I440-K468 HydrophobicContact CG2-CB 4.19Å; I440-K468 HydrophobicContact CG2-CG 3.92Å; V442-K468 HydrophobicContact CG2-CD 4.42Å; V442-K468 VanDerWaalsContact CG2-CE 3.48Å; V442-K468 HydrophobicContact CG2-CG 4.01Å; E464-K468 WeakPolarHBondContact O-CB 3.46Å; E464-K468 PolarHBondContact O-N 3.25Å; T465-K468 PolarHBondContact O-N 3.41Å; V466-K468 VanDerWaalsContact C-N 3.3Å; V466-K468 PolarHBondContact O-N 3.03Å; K468-I470 PolarHBondContact O-N 2.77Å; K468-K471 PolarHBondContact O-N 3.49Å; K468-V472 HydrophobicContact CD-CG2 4.11Å; K468-V472 HydrophobicContact CG-CG2 4.11Å; K468-V472 WeakPolarHBondContact O-CB 3.25Å; K468-V472 VanDerWaalsContact O-CG2 3.31Å; K468-V472 WeakPolarHBondContact O-CG2 3.49Å; K468-V472 PolarHBondContact O-N 3.36Å
469A98.5Very high97.7Very high0 Ų046.5 Ų46.50%024%0.241CC..Hα-helixtrans-59.4-45177.400000112.7I305 I448 T465 V466 K471 V472 C473 L475I305-A469 HydrophobicContact CD1-CB 4.06Å; I448-A469 HydrophobicContact CD1-CB 3.76Å; T465-A469 WeakPolarHBondContact O-CB 3.32Å; T465-A469 PolarHBondContact O-N 3.08Å; V466-A469 WeakPolarHBondContact O-CB 3.3Å; V466-A469 PolarHBondContact O-N 2.75Å; A469-K471 VanDerWaalsContact C-N 3.3Å; A469-K471 PolarHBondContact O-N 3.07Å; A469-V472 PolarHBondContact O-N 2.69Å; A469-C473 WeakPolarHBondContact O-CB 3.28Å; A469-C473 PolarHBondContact O-N 3.4Å; A469-L475 HydrophobicContact CB-CD1 4.2Å
470I98.5Very high97.7Very high31 Ų3151.1 Ų51.116%0.15927%0.273CS..Hα-helixtrans-56.4-45.7175.6-70.8160.5000110.7L98 V466 K468 D474 L475 P477L98-I470 HydrophobicContact CD1-CG1 4.45Å; V466-I470 HydrophobicContact CG1-CD1 3.91Å; V466-I470 HydrophobicContact CG1-CG1 4.38Å; V466-I470 WeakPolarHBondContact O-CD1 3.32Å; V466-I470 VanDerWaalsContact O-CG1 3.28Å; V466-I470 WeakPolarHBondContact O-CG1 3.32Å; V466-I470 PolarHBondContact O-N 3.27Å; K468-I470 PolarHBondContact O-N 2.77Å; I470-D474 VanDerWaalsContact O-CA 3.22Å; I470-D474 WeakPolarHBondContact O-CA 3.08Å; I470-D474 PolarHBondContact O-N 3.14Å; I470-L475 HydrophobicContact CG1-CB 4.22Å; I470-L475 PolarHBondContact O-N 3.17Å; I470-L475 VanDerWaalsContact O-N 3.14Å; I470-P477 HydrophobicContact CD1-CG 3.93Å; I470-P477 HydrophobicContact CG1-CG 4.36Å
471K97.9Very high97.7Very high166 Ų16652.3 Ų52.372%0.72228%0.281SS*.Hα-helixtrans-70.7-44.5-179.1-67.8170.3-173.8170.70113.1D467 K468 A469D467-K471 WeakPolarHBondContact O-CG 3.49Å; D467-K471 PolarHBondContact O-N 2.89Å; K468-K471 PolarHBondContact O-N 3.49Å; A469-K471 VanDerWaalsContact C-N 3.3Å; A469-K471 PolarHBondContact O-N 3.07Å
472V96.6Very high97.6Very high20 Ų2057.9 Ų57.912%0.12130%0.302CS..Hα-helixtrans-75-38.3-173.41700000112.3V442 K446 I448 K468 A469V442-V472 HydrophobicContact CG1-CG1 3.8Å; V442-V472 HydrophobicContact CG1-CG2 4.18Å; V442-V472 HydrophobicContact CG2-CG2 4.24Å; K446-V472 HydrophobicContact CB-CG1 3.99Å; K446-V472 HydrophobicContact CD-CG1 4.08Å; K446-V472 HydrophobicContact CG-CG1 4.01Å; K446-V472 PolarHBondContact NZ-O 2.95Å; I448-V472 HydrophobicContact CD1-CB 4.24Å; I448-V472 HydrophobicContact CD1-CG1 4.45Å; K468-V472 HydrophobicContact CD-CG2 4.11Å; K468-V472 HydrophobicContact CG-CG2 4.11Å; K468-V472 WeakPolarHBondContact O-CB 3.25Å; K468-V472 VanDerWaalsContact O-CG2 3.31Å; K468-V472 WeakPolarHBondContact O-CG2 3.49Å; K468-V472 PolarHBondContact O-N 3.36Å; A469-V472 PolarHBondContact O-N 2.69Å
473C96.3Very high97.5Very high19 Ų1958.2 Ų58.213%0.12830%0.304CS..Hα-helixtrans-104.15.7-176.3-66.10000113.8R302 C303 A469 L475R302-C473 PolarHBondContact O-SG 2.91Å; C303-C473 HydrophobicContact CB-CB 3.88Å; A469-C473 WeakPolarHBondContact O-CB 3.28Å; A469-C473 PolarHBondContact O-N 3.4Å; C473-L475 VanDerWaalsContact C-N 3.27Å; C473-L475 HydrophobicContact CB-CD2 3.87Å; C473-L475 HydrophobicContact CB-CG 4Å; C473-L475 PolarHBondContact O-N 3.15Å
474D96.1Very high97.4Very high106 Ų10661.4 Ų61.457%0.56732%0.317SS*.THydrogen-bonded Turntrans51.342.9-178.4-165.141.3000113.6I470 K476I470-D474 VanDerWaalsContact O-CA 3.22Å; I470-D474 WeakPolarHBondContact O-CA 3.08Å; I470-D474 PolarHBondContact O-N 3.14Å; D474-K476 WeakPolarHBondContact O-CE 3.43Å; D474-K476 IonicContact OD1-NZ 3.65Å; D474-K476 PolarHBondContact OD1-NZ 2.9Å; D474-K476 WeakPolarHBondContact OD2-CE 3.27Å; D474-K476 IonicContact OD2-NZ 3.83Å; D474-K476 PolarHBondContact OD2-NZ 2.81Å
475L97.6Very high97.2Very high5 Ų559.1 Ų59.13%0.02632%0.315CS..  trans-70.7151.4179.9-50.5178.4000110.7D76 V77 L98 R302 C303 A469 I470 C473 P477D76-L475 HydrophobicContact CB-CD2 4.3Å; V77-L475 HydrophobicContact CG2-CD1 3.66Å; L98-L475 HydrophobicContact CD1-CD1 4.23Å; L98-L475 HydrophobicContact CD2-CB 4.07Å; R302-L475 HydrophobicContact CB-CD2 3.78Å; C303-L475 HydrophobicContact CB-CD1 4.11Å; C303-L475 HydrophobicContact CB-CD2 4.38Å; A469-L475 HydrophobicContact CB-CD1 4.2Å; I470-L475 HydrophobicContact CG1-CB 4.22Å; I470-L475 PolarHBondContact O-N 3.17Å; I470-L475 VanDerWaalsContact O-N 3.14Å; C473-L475 VanDerWaalsContact C-N 3.27Å; C473-L475 HydrophobicContact CB-CD2 3.87Å; C473-L475 HydrophobicContact CB-CG 4Å; C473-L475 PolarHBondContact O-N 3.15Å; L475-P477 VanDerWaalsContact O-CD 3.25Å; L475-P477 WeakPolarHBondContact O-CD 3.36Å
476K97.5Very high97Very high139 Ų13959.6 Ų59.660%0.60432%0.318SS*.  trans-117.579.9-175.8-54.5-57.6176.6-168.30110.8D474D474-K476 WeakPolarHBondContact O-CE 3.43Å; D474-K476 IonicContact OD1-NZ 3.65Å; D474-K476 PolarHBondContact OD1-NZ 2.9Å; D474-K476 WeakPolarHBondContact OD2-CE 3.27Å; D474-K476 IonicContact OD2-NZ 3.83Å; D474-K476 PolarHBondContact OD2-NZ 2.81Å
477P97.6Very high96.9Very high46 Ų4660.5 Ų60.530%0.29932%0.322SS..  trans-65.8148.5176.529.8-36000111.1R96 L98 I470 L475 G479R96-P477 HydrophobicContact CB-CB 3.88Å; L98-P477 HydrophobicContact CD2-CB 4.16Å; L98-P477 HydrophobicContact CG-CB 4.24Å; I470-P477 HydrophobicContact CD1-CG 3.93Å; I470-P477 HydrophobicContact CG1-CG 4.36Å; L475-P477 VanDerWaalsContact O-CD 3.25Å; L475-P477 WeakPolarHBondContact O-CD 3.36Å; P477-G479 VanDerWaalsContact C-N 3.35Å
478T97Very high96.9Very high124 Ų12457.9 Ų57.976%0.76131%0.308SS*.SBendtrans-81.4-16.217762.80000113.1R96R96-T478 PolarHBondContact O-N 3.16Å; R96-T478 PolarHBondContact O-OG1 2.96Å
479G95.8Very high96.8Very high29 Ų2954.3 Ų54.330%0.29929%0.293SS..SBendtrans-157.4173.7-179.700000113.2R96 P477R96-G479 PolarHBondContact O-N 3.49Å; P477-G479 VanDerWaalsContact C-N 3.35Å
480P96.8Very high96.8Very high109 Ų10954.4 Ų54.471%0.70829%0.293SS*.  trans-73.7170.2177.833.3-36.4000111.9R482P480-R482 PolarHBondContact O-N 3.24Å
481C97.4Very high96.7Very high31 Ų3153.3 Ų53.321%0.20929%0.289CS..  trans-52.7130.3165.6-175.30000110.2D92 E463 T483D92-C481 PolarHBondContact OD1-SG 2.57Å; D92-C481 VanDerWaalsContact OD1-SG 3.35Å; E463-C481 HydrophobicContact CG-CB 4.42Å; C481-T483 PolarHBondContact SG-OG1 3.33Å
482R95.7Very high96.5Very high118 Ų11846 Ų4645%0.44526%0.257SS..  trans-128.112.2177.560.8171.2166.4-176.8-7.1113.6S95 Y244 P480 K484 L486S95-R482 PolarHBondContact O-NE 3.28Å; S95-R482 PolarHBondContact O-NH2 3.46Å; Y244-R482 VanDerWaalsContact CD1-NH2 3.27Å; P480-R482 PolarHBondContact O-N 3.24Å; R482-K484 VanDerWaalsContact C-N 3.32Å; R482-K484 PolarHBondContact O-N 3.43Å; R482-L486 HydrophobicContact CG-CD1 4.29Å; R482-L486 WeakPolarHBondContact O-CB 3.29Å
483T97.4Very high96.3Very high7 Ų746.9 Ų46.94%0.04327%0.271CS..  trans-72.5-23.3-17357.10000113.6L91 D92 R459 C481 G485 L486L91-T483 HydrophobicContact CG-CG2 4.35Å; D92-T483 HydrophobicContact CB-CG2 3.69Å; R459-T483 WeakPolarHBondContact CG-OG1 3.34Å; R459-T483 PolarHBondContact NH1-OG1 3.12Å; C481-T483 PolarHBondContact SG-OG1 3.33Å; T483-G485 PolarHBondContact O-N 3.44Å; T483-L486 WeakPolarHBondContact O-CB 3.44Å; T483-L486 PolarHBondContact O-N 2.9Å
484K95.8Very high96.3Very high126 Ų12649 Ų4955%0.54828%0.276SS..THydrogen-bonded Turntrans-70.8118173.3-169167.1-170.6162.30109.7S147 R482 L486S147-K484 PolarHBondContact OG-NZ 3.08Å; R482-K484 VanDerWaalsContact C-N 3.32Å; R482-K484 PolarHBondContact O-N 3.43Å; K484-L486 VanDerWaalsContact C-N 3.31Å
485G93.8Very high96.1Very high34 Ų3446.2 Ų46.235%0.35127%0.265SS..THydrogen-bonded Turntrans78.56-175.500000115.2R44 N151 T483 L487R44-G485 PolarHBondContact NH2-O 2.76Å; N151-G485 PolarHBondContact OD1-N 3.44Å; T483-G485 PolarHBondContact O-N 3.44Å; G485-L487 PolarHBondContact O-N 3.48Å
486L95.6Very high95.9Very high10 Ų1050.2 Ų50.25%0.05229%0.291CS..PPolyproline II helixtrans-74.4118.3175.2-174.6151.9000110L91 I155 T240 Y244 R482 T483 K484 L488L91-L486 HydrophobicContact CD1-CD2 4.32Å; L91-L486 HydrophobicContact CD2-CD2 4.31Å; I155-L486 WeakPolarHBondContact CB-O 3.2Å; I155-L486 WeakPolarHBondContact CG2-O 3.46Å; T240-L486 HydrophobicContact CG2-CD2 3.62Å; Y244-L486 HydrophobicContact CE2-CD1 3.76Å; Y244-L486 HydrophobicContact CE2-CD2 4.07Å; Y244-L486 HydrophobicContact CE2-CG 4.3Å; Y244-L486 WeakPolarHBondContact OH-CD1 3.11Å; R482-L486 HydrophobicContact CG-CD1 4.29Å; R482-L486 WeakPolarHBondContact O-CB 3.29Å; T483-L486 WeakPolarHBondContact O-CB 3.44Å; T483-L486 PolarHBondContact O-N 2.9Å; K484-L486 VanDerWaalsContact C-N 3.31Å; L486-L488 HydrophobicContact CD2-CD2 4.26Å
487L96.8Very high95.8Very high19 Ų1948.7 Ų48.710%0.09929%0.29CS..PPolyproline II helixtrans-66.8134.9178.7-68.5179.3000111P47 G485 A491 H492P47-L487 HydrophobicContact CG-CD1 3.87Å; G485-L487 PolarHBondContact O-N 3.48Å; L487-A491 HydrophobicContact CB-CB 4.24Å; L487-A491 HydrophobicContact CD2-CB 4.17Å; L487-H492 PolarHBondContact O-CE1 2.7Å
488L97.8Very high95.8Very high1 Ų146.8 Ų46.81%0.00528%0.277CS..PPolyproline II helixtrans-84.2166.5176.9-59.2-176.6000111.6L91 I155 A156 M233 I237 T240 L486 G490 A491 H492L91-L488 HydrophobicContact CD2-CD2 3.94Å; I155-L488 HydrophobicContact CB-CG 4.47Å; I155-L488 HydrophobicContact CD1-CD1 3.9Å; I155-L488 HydrophobicContact CD1-CD2 4.32Å; I155-L488 HydrophobicContact CD1-CG 3.93Å; I155-L488 HydrophobicContact CG1-CD1 4.2Å; I155-L488 HydrophobicContact CG1-CG 4.14Å; I155-L488 PolarHBondContact O-N 3.02Å; A156-L488 HydrophobicContact CB-CB 4.3Å; A156-L488 HydrophobicContact CB-CD1 4.06Å; A156-L488 HydrophobicContact CB-CG 4.44Å; M233-L488 HydrophobicContact SD-CD1 3.64Å; I237-L488 HydrophobicContact CG1-CD1 3.69Å; I237-L488 HydrophobicContact CG1-CD2 4.29Å; T240-L488 HydrophobicContact CG2-CD2 4.19Å; L486-L488 HydrophobicContact CD2-CD2 4.26Å; L488-G490 PolarHBondContact O-N 2.71Å; L488-A491 VanDerWaalsContact O-CB 3.28Å; L488-A491 WeakPolarHBondContact O-CB 3.21Å; L488-A491 PolarHBondContact O-N 3.49Å; L488-H492 PolarHBondContact O-ND1 2.86Å
489E97.4Very high95.8Very high1 Ų142.7 Ų42.71%0.00525%0.249CC..THydrogen-bonded Turntrans-42.8132.9169.5-170.573.5-168.600110.7F55 H158 L239 T240 R243 A491 K523F55-E489 VanDerWaalsContact CD1-OE2 3.28Å; F55-E489 WeakPolarHBondContact CD1-OE2 3.38Å; H158-E489 PolarHBondContact CE1-O 2.74Å; H158-E489 VanDerWaalsContact CE1-O 3.32Å; H158-E489 PolarHBondContact NE2-O 2.97Å; L239-E489 HydrophobicContact CB-CB 4.32Å; L239-E489 HydrophobicContact CB-CG 4.34Å; L239-E489 HydrophobicContact CD1-CG 4.24Å; T240-E489 PolarHBondContact OG1-N 3.18Å; R243-E489 IonicContact CZ-OE1 3.35Å; R243-E489 IonicContact CZ-OE2 3.96Å; R243-E489 IonicContact NE-OE1 2.78Å; R243-E489 IonicContact NE-OE2 2.75Å; R243-E489 PolarHBondContact NE-OE2 2.96Å; R243-E489 IonicContact NH2-OE1 3.79Å; R243-E489 PolarHBondContact NH2-OE1 3.21Å; R243-E489 IonicContact NH2-OE2 3.03Å; E489-A491 VanDerWaalsContact C-N 3.32Å; E489-A491 PolarHBondContact O-N 3.47Å; E489-K523 WeakPolarHBondContact OE1-CE 3.38Å
490G97.1Very high95.9Very high1 Ų144.4 Ų44.41%0.0125%0.251CS..THydrogen-bonded Turntrans87.9-23.1-177.700000115.3H158 L488 W494 Y520 G521 D522H158-G490 VanDerWaalsContact CE1-C 3.45Å; L488-G490 PolarHBondContact O-N 2.71Å; G490-W494 WeakPolarHBondContact O-CB 3.29Å; G490-Y520 WeakPolarHBondContact CA-O 3.45Å; G490-G521 CarbonylContact O-C 3.54Å; G490-G521 WeakPolarHBondContact O-CA 3.44Å; G490-D522 VanDerWaalsContact CA-OD1 3.28Å; G490-D522 WeakPolarHBondContact CA-OD1 3.49Å; G490-D522 PolarHBondContact O-N 2.93Å
491A96.5Very high96Very high8 Ų842.5 Ų42.57%0.06623%0.232CC..  trans-82.7-14.2-170.600000115.5I155 H158 L487 L488 E489I155-A491 VanDerWaalsContact O-CB 3.3Å; I155-A491 WeakPolarHBondContact O-CB 3.35Å; H158-A491 PolarHBondContact CE1-N 2.68Å; L487-A491 HydrophobicContact CB-CB 4.24Å; L487-A491 HydrophobicContact CD2-CB 4.17Å; L488-A491 VanDerWaalsContact O-CB 3.28Å; L488-A491 WeakPolarHBondContact O-CB 3.21Å; L488-A491 PolarHBondContact O-N 3.49Å; E489-A491 VanDerWaalsContact C-N 3.32Å; E489-A491 PolarHBondContact O-N 3.47Å
492H94.6Very high96Very high12 Ų1241 Ų416%0.05622%0.222CC..SBendtrans-74.6-46.1-164.7-67.668.9000113.1P47 E51 F52 F55 L487 L488 D522P47-H492 HydrophobicContact CG-CB 4.12Å; E51-H492 WeakPolarHBondContact CG-NE2 3.49Å; E51-H492 IonicContact OE1-NE2 3.85Å; F52-H492 HydrophobicContact CD1-CB 4.33Å; F52-H492 HydrophobicContact CE1-CB 3.89Å; F55-H492 AromaticContact CD1-CE1 3.46Å; F55-H492 VanDerWaalsContact CD1-CE1 3.46Å; F55-H492 WeakPolarHBondContact CD1-CE1 3.29Å; F55-H492 AromaticContact CD1-ND1 3.84Å; F55-H492 AromaticContact CD2-CD2 3.99Å; F55-H492 AromaticContact CD2-CE1 3.46Å; F55-H492 VanDerWaalsContact CD2-CE1 3.46Å; F55-H492 WeakPolarHBondContact CD2-CE1 3.35Å; F55-H492 AromaticContact CD2-NE2 3.29Å; F55-H492 VanDerWaalsContact CD2-NE2 3.29Å; F55-H492 WeakPolarHBondContact CD2-NE2 3.41Å; F55-H492 AromaticContact CE1-CE1 3.38Å; F55-H492 WeakPolarHBondContact CE1-CE1 3.29Å; F55-H492 AromaticContact CE2-CE1 3.39Å; F55-H492 WeakPolarHBondContact CE2-CE1 3.46Å; F55-H492 AromaticContact CE2-NE2 3.26Å; F55-H492 VanDerWaalsContact CE2-NE2 3.26Å; F55-H492 WeakPolarHBondContact CE2-NE2 3.47Å; F55-H492 AromaticContact CG-CE1 3.5Å; F55-H492 AromaticContact CG-ND1 3.88Å; F55-H492 AromaticContact CG-NE2 3.76Å; F55-H492 AromaticContact CZ-CE1 3.34Å; F55-H492 WeakPolarHBondContact CZ-CE1 3.31Å; F55-H492 AromaticContact CZ-NE2 3.69Å; L487-H492 PolarHBondContact O-CE1 2.7Å; L488-H492 PolarHBondContact O-ND1 2.86Å; H492-D522 PolarHBondContact N-OD2 3.11Å
493G92.2Very high96.1Very high39 Ų3936.7 Ų36.740%0.40221%0.209SC..SBendtrans-100.17.1175.800000114.1D522G493-D522 PolarHBondContact N-OD2 3.07Å
494W95Very high96.1Very high63 Ų6343.7 Ų43.724%0.23924%0.241CC..  trans-75142.8-175-178.984.2000112.5P157 H158 G490 P496 T517P157-W494 HydrophobicContact CB-CE3 4.08Å; P157-W494 HydrophobicContact CB-CH2 4.31Å; P157-W494 HydrophobicContact CB-CZ3 3.66Å; P157-W494 HydrophobicContact CG-CE3 3.66Å; P157-W494 HydrophobicContact CG-CZ3 3.78Å; H158-W494 HydrophobicContact CB-CD2 3.87Å; H158-W494 HydrophobicContact CB-CG 3.87Å; H158-W494 HydrophobicContact CB-CZ2 4.16Å; G490-W494 WeakPolarHBondContact O-CB 3.29Å; W494-P496 HydrophobicContact CH2-CB 4.48Å; W494-P496 HydrophobicContact CH2-CG 3.89Å; W494-P496 HydrophobicContact CZ3-CG 4.08Å; W494-T517 VanDerWaalsContact CD1-O 3.29Å; W494-T517 PolarHBondContact NE1-O 2.73Å
495S93.7Very high96.1Very high48 Ų4843.5 Ų43.534%0.33624%0.242SC..  trans-143.4157.1166.175.50000110.4N497 L498S495-N497 PolarHBondContact O-N 3.29Å; S495-N497 PolarHBondContact OG-N 3.3Å; S495-L498 VanDerWaalsContact O-CB 3.29Å; S495-L498 WeakPolarHBondContact O-CB 3.42Å; S495-L498 PolarHBondContact O-N 3.09Å; S495-L498 PolarHBondContact OG-N 2.92Å
496P92.6Very high96.3Very high90 Ų9043.5 Ų43.558%0.58423%0.232SC*.THydrogen-bonded Turntrans-57.5-20.1175.9-25.834.7000114.4W494 F499W494-P496 HydrophobicContact CH2-CB 4.48Å; W494-P496 HydrophobicContact CH2-CG 3.89Å; W494-P496 HydrophobicContact CZ3-CG 4.08Å; P496-F499 VanDerWaalsContact O-CD1 3.25Å; P496-F499 WeakPolarHBondContact O-CD1 3.35Å; P496-F499 VanDerWaalsContact O-CE1 3.32Å; P496-F499 WeakPolarHBondContact O-CE1 3.24Å
497N95.8Very high96.4Very high106 Ų10643.3 Ų43.357%0.56723%0.232SC*.THydrogen-bonded Turntrans-99.2-0.9-178.7-66.2-22.1000113.1S495 F499 I500S495-N497 PolarHBondContact O-N 3.29Å; S495-N497 PolarHBondContact OG-N 3.3Å; N497-F499 PolarHBondContact O-N 2.83Å; N497-F499 VanDerWaalsContact O-N 3.14Å; N497-I500 HydrophobicContact CB-CD1 4.15Å; N497-I500 VanDerWaalsContact O-CB 3.29Å; N497-I500 WeakPolarHBondContact O-CB 3.5Å; N497-I500 PolarHBondContact O-N 3.43Å
498L96.7Very high96.4Very high7 Ų742.4 Ų42.44%0.03723%0.227CC..Hα-helixtrans-57.5-32-177.5-178.960.8000112.3S495 I500 Q501 I502 T517 G521 I525S495-L498 VanDerWaalsContact O-CB 3.29Å; S495-L498 WeakPolarHBondContact O-CB 3.42Å; S495-L498 PolarHBondContact O-N 3.09Å; S495-L498 PolarHBondContact OG-N 2.92Å; L498-I500 PolarHBondContact O-N 3.33Å; L498-Q501 WeakPolarHBondContact O-CB 3.46Å; L498-Q501 PolarHBondContact O-N 3.06Å; L498-Q501 VanDerWaalsContact O-N 3.15Å; L498-I502 PolarHBondContact O-N 3.44Å; L498-T517 HydrophobicContact CB-CG2 3.97Å; L498-T517 HydrophobicContact CD2-CG2 3.84Å; L498-T517 HydrophobicContact CG-CG2 3.66Å; L498-G521 WeakPolarHBondContact CD2-O 3.34Å; L498-I525 HydrophobicContact CD1-CD1 4.08Å; L498-I525 HydrophobicContact CD1-CG1 4.32Å
499F98Very high96.4Very high38 Ų3844.1 Ų44.117%0.16724%0.236CC..Hα-helixtrans-61.6-30177.179.6-85.6000112.4P496 N497 Q501 I502 V503 V510 A513 R514 T517P496-F499 VanDerWaalsContact O-CD1 3.25Å; P496-F499 WeakPolarHBondContact O-CD1 3.35Å; P496-F499 VanDerWaalsContact O-CE1 3.32Å; P496-F499 WeakPolarHBondContact O-CE1 3.24Å; N497-F499 PolarHBondContact O-N 2.83Å; N497-F499 VanDerWaalsContact O-N 3.14Å; F499-Q501 VanDerWaalsContact C-N 3.34Å; F499-I502 PolarHBondContact O-N 3.3Å; F499-V503 VanDerWaalsContact O-CG2 3.3Å; F499-V503 WeakPolarHBondContact O-CG2 3.35Å; F499-V503 PolarHBondContact O-N 3.16Å; F499-V510 HydrophobicContact CD2-CG1 4.36Å; F499-V510 HydrophobicContact CE2-CG1 4.21Å; F499-A513 HydrophobicContact CB-CB 4.05Å; F499-R514 HydrophobicContact CB-CG 4.06Å; F499-R514 HydrophobicContact CD1-CG 4.31Å; F499-R514 HydrophobicContact CD2-CG 3.77Å; F499-R514 HydrophobicContact CE2-CG 4.32Å; F499-R514 HydrophobicContact CG-CG 3.77Å; F499-T517 HydrophobicContact CB-CG2 4.24Å
500I98.1Very high96.4Very high65 Ų6546.9 Ų46.933%0.33325%0.253SS..Hα-helixtrans-65.2-42.5178.3-58.4175.9000109.7N497 L498 I502 V503 Q504N497-I500 HydrophobicContact CB-CD1 4.15Å; N497-I500 VanDerWaalsContact O-CB 3.29Å; N497-I500 WeakPolarHBondContact O-CB 3.5Å; N497-I500 PolarHBondContact O-N 3.43Å; L498-I500 PolarHBondContact O-N 3.33Å; I500-I502 VanDerWaalsContact C-N 3.34Å; I500-I502 PolarHBondContact O-N 2.68Å; I500-V503 PolarHBondContact O-N 3.45Å; I500-Q504 HydrophobicContact CG2-CG 4.23Å; I500-Q504 WeakPolarHBondContact O-CB 3.29Å; I500-Q504 WeakPolarHBondContact O-CG 3.29Å; I500-Q504 PolarHBondContact O-N 2.76Å
501Q97.1Very high96.4Very high69 Ų6949.9 Ų49.932%0.32227%0.269SS..Hα-helixtrans-59.5-46.3175.7-173.8-174.1-14.600110.8L498 F499 V503 Q504 E505L498-Q501 WeakPolarHBondContact O-CB 3.46Å; L498-Q501 PolarHBondContact O-N 3.06Å; L498-Q501 VanDerWaalsContact O-N 3.15Å; F499-Q501 VanDerWaalsContact C-N 3.34Å; Q501-V503 VanDerWaalsContact C-N 3.33Å; Q501-V503 PolarHBondContact O-N 3.42Å; Q501-Q504 PolarHBondContact O-N 3.08Å; Q501-E505 HydrophobicContact CG-CG 4.14Å; Q501-E505 VanDerWaalsContact CG-OE1 3.31Å; Q501-E505 WeakPolarHBondContact CG-OE1 3.33Å; Q501-E505 WeakPolarHBondContact CG-OE2 3.4Å; Q501-E505 PolarHBondContact NE2-OE1 3.4Å; Q501-E505 PolarHBondContact NE2-OE2 2.77Å; Q501-E505 WeakPolarHBondContact O-CB 3.25Å; Q501-E505 PolarHBondContact O-N 3.36Å
502I97.8Very high96.5Very high0 Ų049.5 Ų49.50%027%0.266CS..Hα-helixtrans-60-44.2178.1-62.6-174.5000111.2L498 F499 I500 Y506 M508 A513 T517 A524 A528L498-I502 PolarHBondContact O-N 3.44Å; F499-I502 PolarHBondContact O-N 3.3Å; I500-I502 VanDerWaalsContact C-N 3.34Å; I500-I502 PolarHBondContact O-N 2.68Å; I502-Y506 WeakPolarHBondContact O-CA 3.22Å; I502-Y506 VanDerWaalsContact O-CB 3.27Å; I502-Y506 WeakPolarHBondContact O-CB 3.46Å; I502-Y506 PolarHBondContact O-N 2.96Å; I502-M508 HydrophobicContact CG2-CB 4.2Å; I502-M508 HydrophobicContact CG2-CG 4.18Å; I502-M508 HydrophobicContact CG2-SD 3.59Å; I502-M508 VanDerWaalsContact CG2-SD 3.59Å; I502-A513 HydrophobicContact CB-CB 4Å; I502-A513 HydrophobicContact CG2-CB 3.87Å; I502-T517 HydrophobicContact CD1-CG2 3.48Å; I502-T517 VanDerWaalsContact CD1-CG2 3.48Å; I502-T517 HydrophobicContact CG1-CG2 4.38Å; I502-A524 HydrophobicContact CD1-CB 3.55Å; I502-A528 HydrophobicContact CG2-CB 4.36Å
503V98Very high96.7Very high27 Ų2749 Ų4916%0.16426%0.263CS..Hα-helixtrans-62.3-46177.1174.20000111.4F499 I500 Q501 G507 V510 A513 W538F499-V503 VanDerWaalsContact O-CG2 3.3Å; F499-V503 WeakPolarHBondContact O-CG2 3.35Å; F499-V503 PolarHBondContact O-N 3.16Å; I500-V503 PolarHBondContact O-N 3.45Å; Q501-V503 VanDerWaalsContact C-N 3.33Å; Q501-V503 PolarHBondContact O-N 3.42Å; V503-G507 VanDerWaalsContact O-CA 3.27Å; V503-G507 WeakPolarHBondContact O-CA 3.46Å; V503-G507 PolarHBondContact O-N 3.35Å; V503-V510 HydrophobicContact CG2-CG2 4.16Å; V503-A513 HydrophobicContact CG2-CB 3.59Å; V503-W538 HydrophobicContact CG1-CH2 3.99Å; V503-W538 HydrophobicContact CG1-CZ2 4.3Å
504Q97.3Very high97Very high153 Ų15353.9 Ų53.972%0.71527%0.27SS*.Hα-helixtrans-73.4-41.5-174.1-73177.3-15.800113.4I500 Q501I500-Q504 HydrophobicContact CG2-CG 4.23Å; I500-Q504 WeakPolarHBondContact O-CB 3.29Å; I500-Q504 WeakPolarHBondContact O-CG 3.29Å; I500-Q504 PolarHBondContact O-N 2.76Å; Q501-Q504 PolarHBondContact O-N 3.08Å
505E97.1Very high97.1Very high122 Ų12251.9 Ų51.957%0.5726%0.263SS*.Hα-helixtrans-87.5-33.6-174.8-66.9177.6-176.700112.4Q501Q501-E505 HydrophobicContact CG-CG 4.14Å; Q501-E505 VanDerWaalsContact CG-OE1 3.31Å; Q501-E505 WeakPolarHBondContact CG-OE1 3.33Å; Q501-E505 WeakPolarHBondContact CG-OE2 3.4Å; Q501-E505 PolarHBondContact NE2-OE1 3.4Å; Q501-E505 PolarHBondContact NE2-OE2 2.77Å; Q501-E505 WeakPolarHBondContact O-CB 3.25Å; Q501-E505 PolarHBondContact O-N 3.36Å
506Y97.4Very high97.3Very high35 Ų3549.6 Ų49.614%0.13725%0.247CC..Hα-helixtrans-109.7-9.6-173.1-59.7-97000113.3I502 M508 A528 N529 L541I502-Y506 WeakPolarHBondContact O-CA 3.22Å; I502-Y506 VanDerWaalsContact O-CB 3.27Å; I502-Y506 WeakPolarHBondContact O-CB 3.46Å; I502-Y506 PolarHBondContact O-N 2.96Å; Y506-M508 VanDerWaalsContact C-N 3.32Å; Y506-M508 PolarHBondContact O-N 2.89Å; Y506-A528 HydrophobicContact CD1-CB 3.59Å; Y506-A528 HydrophobicContact CD2-CB 4.03Å; Y506-A528 HydrophobicContact CE1-CB 3.74Å; Y506-A528 HydrophobicContact CE2-CB 4.19Å; Y506-A528 HydrophobicContact CG-CB 3.74Å; Y506-N529 WeakPolarHBondContact CE1-OD1 3.47Å; Y506-N529 PolarHBondContact OH-ND2 2.75Å; Y506-N529 PolarHBondContact OH-OD1 2.89Å; Y506-L541 HydrophobicContact CD1-CD1 4.01Å; Y506-L541 WeakPolarHBondContact O-CB 3.12Å
507G97.3Very high97.5Very high5 Ų545.7 Ų45.75%0.05222%0.222CC..  trans64.434.4178.700000113.6V503 P539 I540V503-G507 VanDerWaalsContact O-CA 3.27Å; V503-G507 WeakPolarHBondContact O-CA 3.46Å; V503-G507 PolarHBondContact O-N 3.35Å; G507-P539 CarbonylContact O-C 3.15Å; G507-P539 WeakPolarHBondContact O-CA 3.36Å; G507-P539 WeakPolarHBondContact O-CB 3.42Å; G507-I540 PolarHBondContact O-N 2.66Å
508M97.9Very high97.6Very high0 Ų041.7 Ų41.70%021%0.205CC..  trans-86.6154.7176.6-65.8-171.4169.200111.8I502 Y506 V512 L516 A528 S531 W538 L541 I552I502-M508 HydrophobicContact CG2-CB 4.2Å; I502-M508 HydrophobicContact CG2-CG 4.18Å; I502-M508 HydrophobicContact CG2-SD 3.59Å; I502-M508 VanDerWaalsContact CG2-SD 3.59Å; Y506-M508 VanDerWaalsContact C-N 3.32Å; Y506-M508 PolarHBondContact O-N 2.89Å; M508-V512 HydrophobicContact SD-CG1 4.15Å; M508-L516 HydrophobicContact SD-CD1 3.92Å; M508-A528 HydrophobicContact CE-CB 3.87Å; M508-A528 HydrophobicContact SD-CB 4.35Å; M508-S531 VanDerWaalsContact CE-OG 3.27Å; M508-S531 WeakPolarHBondContact CE-OG 3.18Å; M508-W538 VanDerWaalsContact O-CZ2 3.27Å; M508-W538 WeakPolarHBondContact O-CZ2 3.48Å; M508-L541 HydrophobicContact CE-CB 3.77Å; M508-L541 HydrophobicContact CG-CB 4.01Å; M508-I552 HydrophobicContact CE-CD1 4.23Å
509D97.4Very high97.6Very high38 Ų3842 Ų4220%0.20321%0.207CC..  trans-60.6150.3170.9-79.3-31.7000111.9D511 V512 A513 W538 P539 K544D509-D511 VanDerWaalsContact C-N 3.32Å; D509-D511 WeakPolarHBondContact CB-OD1 3.35Å; D509-D511 PolarHBondContact O-N 3.36Å; D509-V512 HydrophobicContact CB-CB 4.47Å; D509-V512 HydrophobicContact CB-CG2 4.22Å; D509-V512 PolarHBondContact O-N 3.04Å; D509-A513 WeakPolarHBondContact O-CB 3.4Å; D509-A513 PolarHBondContact O-N 3.23Å; D509-W538 PolarHBondContact OD1-NE1 2.83Å; D509-P539 HydrophobicContact CB-CB 4.5Å; D509-P539 WeakPolarHBondContact OD2-CG 3.44Å; D509-K544 IonicContact OD2-NZ 3.08Å
510V97.8Very high97.6Very high59 Ų5940.2 Ų40.236%0.35820%0.199SC..Hα-helixtrans-65-36.2-175.6178.10000112.1F499 V503 R514F499-V510 HydrophobicContact CD2-CG1 4.36Å; F499-V510 HydrophobicContact CE2-CG1 4.21Å; V503-V510 HydrophobicContact CG2-CG2 4.16Å; V510-R514 WeakPolarHBondContact O-CB 3.35Å; V510-R514 VanDerWaalsContact O-CG 3.27Å; V510-R514 WeakPolarHBondContact O-CG 3.42Å; V510-R514 PolarHBondContact O-N 2.66Å
511D97Very high97.6Very high64 Ų6437.1 Ų37.134%0.34218%0.183SC..Hα-helixtrans-67.2-44177.162.9-22.6000111.4D509 R514 H515 K544 P550D509-D511 VanDerWaalsContact C-N 3.32Å; D509-D511 WeakPolarHBondContact CB-OD1 3.35Å; D509-D511 PolarHBondContact O-N 3.36Å; D511-R514 PolarHBondContact O-N 3.21Å; D511-H515 WeakPolarHBondContact O-CB 3.34Å; D511-H515 PolarHBondContact O-N 3.32Å; D511-K544 IonicContact OD1-NZ 3.52Å; D511-K544 IonicContact OD2-NZ 2.9Å; D511-K544 PolarHBondContact OD2-NZ 2.95Å; D511-P550 HydrophobicContact CB-CB 4.25Å
512V98.2Very high97.6Very high0 Ų034.8 Ų34.80%017%0.173CC..Hα-helixtrans-59.9-50.9173.3174.80000110.6M508 D509 R514 H515 L516 K544 P550 I552M508-V512 HydrophobicContact SD-CG1 4.15Å; D509-V512 HydrophobicContact CB-CB 4.47Å; D509-V512 HydrophobicContact CB-CG2 4.22Å; D509-V512 PolarHBondContact O-N 3.04Å; V512-R514 VanDerWaalsContact C-N 3.32Å; V512-R514 PolarHBondContact O-N 2.96Å; V512-H515 WeakPolarHBondContact O-CB 3.22Å; V512-H515 PolarHBondContact O-N 3.1Å; V512-L516 HydrophobicContact CG1-CD1 4.04Å; V512-L516 HydrophobicContact CG1-CG 4.27Å; V512-L516 WeakPolarHBondContact O-CG 3.38Å; V512-L516 PolarHBondContact O-N 2.97Å; V512-K544 VanDerWaalsContact CG2-CE 3.47Å; V512-K544 HydrophobicContact CG2-CG 4.26Å; V512-P550 HydrophobicContact CG2-CB 4.23Å; V512-I552 HydrophobicContact CG1-CD1 4.34Å; V512-I552 HydrophobicContact CG1-CG2 3.59Å; V512-I552 HydrophobicContact CG2-CG2 4.06Å
513A98.4Very high97.6Very high0 Ų035.6 Ų35.60%018%0.176CC..Hα-helixtrans-61.6-39.6-179.600000112.5F499 I502 V503 D509 T517F499-A513 HydrophobicContact CB-CB 4.05Å; I502-A513 HydrophobicContact CB-CB 4Å; I502-A513 HydrophobicContact CG2-CB 3.87Å; V503-A513 HydrophobicContact CG2-CB 3.59Å; D509-A513 WeakPolarHBondContact O-CB 3.4Å; D509-A513 PolarHBondContact O-N 3.23Å; A513-T517 WeakPolarHBondContact O-CG2 3.4Å; A513-T517 PolarHBondContact O-N 2.95Å; A513-T517 VanDerWaalsContact O-N 3.09Å; A513-T517 PolarHBondContact O-OG1 3.21Å
514R97.4Very high97.6Very high143 Ų14334.3 Ų34.354%0.5417%0.169SC..Hα-helixtrans-67.4-41.6175-76.9176.6-178.4150.22.8112.2F499 V510 D511 V512 T517 G518F499-R514 HydrophobicContact CB-CG 4.06Å; F499-R514 HydrophobicContact CD1-CG 4.31Å; F499-R514 HydrophobicContact CD2-CG 3.77Å; F499-R514 HydrophobicContact CE2-CG 4.32Å; F499-R514 HydrophobicContact CG-CG 3.77Å; V510-R514 WeakPolarHBondContact O-CB 3.35Å; V510-R514 VanDerWaalsContact O-CG 3.27Å; V510-R514 WeakPolarHBondContact O-CG 3.42Å; V510-R514 PolarHBondContact O-N 2.66Å; D511-R514 PolarHBondContact O-N 3.21Å; V512-R514 VanDerWaalsContact C-N 3.32Å; V512-R514 PolarHBondContact O-N 2.96Å; R514-T517 PolarHBondContact O-OG1 3.15Å; R514-G518 PolarHBondContact O-N 3.12Å
515H97.4Very high97.5Very high21 Ų2129.4 Ų29.410%0.09715%0.147CC..Hα-helixtrans-58.8-54.4174.4165.664.7000111D511 V512 T517 G518 I519 P550 F551 E555D511-H515 WeakPolarHBondContact O-CB 3.34Å; D511-H515 PolarHBondContact O-N 3.32Å; V512-H515 WeakPolarHBondContact O-CB 3.22Å; V512-H515 PolarHBondContact O-N 3.1Å; H515-T517 PolarHBondContact O-N 3.49Å; H515-G518 PolarHBondContact O-N 2.85Å; H515-G518 VanDerWaalsContact O-N 3.12Å; H515-I519 VanDerWaalsContact CE1-CG1 3.49Å; H515-I519 WeakPolarHBondContact CE1-CG1 3.39Å; H515-I519 WeakPolarHBondContact O-CG1 3.36Å; H515-I519 PolarHBondContact O-N 2.76Å; H515-P550 HydrophobicContact CB-CB 3.78Å; H515-P550 HydrophobicContact CB-CG 3.76Å; H515-P550 PolarHBondContact CD2-O 3.31Å; H515-F551 AromaticContact CD2-CD1 3.96Å; H515-F551 AromaticContact CE1-CD1 3.41Å; H515-F551 VanDerWaalsContact CE1-CD1 3.41Å; H515-F551 WeakPolarHBondContact CE1-CD1 3.46Å; H515-F551 AromaticContact CE1-CE1 3.32Å; H515-F551 WeakPolarHBondContact CE1-CE1 3.16Å; H515-F551 AromaticContact ND1-CD1 3.97Å; H515-F551 AromaticContact ND1-CE1 3.65Å; H515-F551 AromaticContact NE2-CD1 3.41Å; H515-F551 WeakPolarHBondContact NE2-CD1 3.38Å; H515-F551 AromaticContact NE2-CE1 3.84Å; H515-E555 IonicContact CD2-OE1 3.48Å; H515-E555 PolarHBondContact CD2-OE1 2.95Å; H515-E555 IonicContact CD2-OE2 3.1Å; H515-E555 IonicContact CE1-OE2 3.94Å; H515-E555 VanDerWaalsContact NE2-CD 3.3Å; H515-E555 IonicContact NE2-OE1 2.75Å; H515-E555 PolarHBondContact NE2-OE1 2.93Å; H515-E555 IonicContact NE2-OE2 3.87Å; H515-E555 PolarHBondContact NE2-OE2 3.42Å
516L98.3Very high97.5Very high0 Ų026.4 Ų26.40%014%0.137CC..Hα-helixtrans-58.5-46.9-177.8-68.4179.8000111.9M508 V512 G518 I519 Y520 A524 I527 I552 E555M508-L516 HydrophobicContact SD-CD1 3.92Å; V512-L516 HydrophobicContact CG1-CD1 4.04Å; V512-L516 HydrophobicContact CG1-CG 4.27Å; V512-L516 WeakPolarHBondContact O-CG 3.38Å; V512-L516 PolarHBondContact O-N 2.97Å; L516-G518 VanDerWaalsContact C-N 3.32Å; L516-G518 PolarHBondContact O-N 2.85Å; L516-I519 PolarHBondContact O-N 3.04Å; L516-Y520 HydrophobicContact CD2-CD2 4.07Å; L516-Y520 HydrophobicContact CD2-CE2 4.03Å; L516-Y520 WeakPolarHBondContact O-CB 3.11Å; L516-Y520 WeakPolarHBondContact O-CD2 3.01Å; L516-Y520 PolarHBondContact O-N 3.15Å; L516-A524 HydrophobicContact CB-CB 3.82Å; L516-I527 HydrophobicContact CD1-CG2 4.24Å; L516-I527 HydrophobicContact CD2-CD1 4.37Å; L516-I527 HydrophobicContact CD2-CG2 3.85Å; L516-I552 HydrophobicContact CD1-CD1 3.91Å; L516-I552 HydrophobicContact CD2-CD1 4.33Å; L516-I552 HydrophobicContact CD2-CG1 4.37Å; L516-E555 HydrophobicContact CD2-CG 3.63Å
517T98Very high97.5Very high8 Ų824.7 Ų24.75%0.04913%0.13CC..Hα-helixtrans-71.3-26.3179.554.20000113.6W494 L498 F499 I502 A513 R514 H515 G521 A524W494-T517 VanDerWaalsContact CD1-O 3.29Å; W494-T517 PolarHBondContact NE1-O 2.73Å; L498-T517 HydrophobicContact CB-CG2 3.97Å; L498-T517 HydrophobicContact CD2-CG2 3.84Å; L498-T517 HydrophobicContact CG-CG2 3.66Å; F499-T517 HydrophobicContact CB-CG2 4.24Å; I502-T517 HydrophobicContact CD1-CG2 3.48Å; I502-T517 VanDerWaalsContact CD1-CG2 3.48Å; I502-T517 HydrophobicContact CG1-CG2 4.38Å; A513-T517 WeakPolarHBondContact O-CG2 3.4Å; A513-T517 PolarHBondContact O-N 2.95Å; A513-T517 VanDerWaalsContact O-N 3.09Å; A513-T517 PolarHBondContact O-OG1 3.21Å; R514-T517 PolarHBondContact O-OG1 3.15Å; H515-T517 PolarHBondContact O-N 3.49Å; T517-G521 WeakPolarHBondContact O-CA 3.19Å; T517-G521 PolarHBondContact O-N 2.82Å; T517-A524 HydrophobicContact CG2-CB 3.86Å
518G96.5Very high97.6Very high22 Ų2224.5 Ų24.523%0.22713%0.128CC..Hα-helixtrans-72.3-41172.400000112.4H158 L159 R514 H515 L516H158-G518 CarbonylContact C-O 3.57Å; H158-G518 VanDerWaalsContact C-O 3.26Å; H158-G518 PolarHBondContact CD2-O 3.31Å; L159-G518 WeakPolarHBondContact CD2-O 3.33Å; R514-G518 PolarHBondContact O-N 3.12Å; H515-G518 PolarHBondContact O-N 2.85Å; H515-G518 VanDerWaalsContact O-N 3.12Å; L516-G518 VanDerWaalsContact C-N 3.32Å; L516-G518 PolarHBondContact O-N 2.85Å
519I97.6Very high97.5Very high13 Ų1329.6 Ų29.67%0.06716%0.155CC..Hα-helixtrans-90.8-37-173.4-61.9-54.8000113.3E229 R232 M365 H515 L516E229-I519 HydrophobicContact CB-CD1 4.35Å; E229-I519 HydrophobicContact CG-CD1 3.83Å; R232-I519 HydrophobicContact CG-CG2 3.92Å; R232-I519 WeakPolarHBondContact CG-O 3.35Å; R232-I519 PolarHBondContact NE-O 3.21Å; M365-I519 HydrophobicContact CE-CD1 3.71Å; H515-I519 VanDerWaalsContact CE1-CG1 3.49Å; H515-I519 WeakPolarHBondContact CE1-CG1 3.39Å; H515-I519 WeakPolarHBondContact O-CG1 3.36Å; H515-I519 PolarHBondContact O-N 2.76Å; L516-I519 PolarHBondContact O-N 3.04Å
520Y98.3Very high97.4Very high0 Ų029.5 Ų29.50%015%0.154CC..THydrogen-bonded Turntrans-110.2-6.9-174.4-57.7-87000113.1R232 G490 L516 D522 K523 I527 E555 Y558R232-Y520 VanDerWaalsContact NH2-CD1 3.3Å; G490-Y520 WeakPolarHBondContact CA-O 3.45Å; L516-Y520 HydrophobicContact CD2-CD2 4.07Å; L516-Y520 HydrophobicContact CD2-CE2 4.03Å; L516-Y520 WeakPolarHBondContact O-CB 3.11Å; L516-Y520 WeakPolarHBondContact O-CD2 3.01Å; L516-Y520 PolarHBondContact O-N 3.15Å; Y520-D522 PolarHBondContact O-N 2.95Å; Y520-K523 VanDerWaalsContact O-CB 3.31Å; Y520-K523 WeakPolarHBondContact O-CB 3.4Å; Y520-K523 PolarHBondContact O-N 2.9Å; Y520-I527 HydrophobicContact CD1-CD1 3.4Å; Y520-I527 HydrophobicContact CD2-CD1 3.41Å; Y520-I527 VanDerWaalsContact CD2-CD1 3.41Å; Y520-I527 HydrophobicContact CE1-CD1 3.7Å; Y520-I527 HydrophobicContact CE2-CD1 3.72Å; Y520-I527 HydrophobicContact CG-CD1 3.24Å; Y520-E555 HydrophobicContact CE2-CG 3.94Å; Y520-E555 WeakPolarHBondContact CE2-OE2 3.43Å; Y520-E555 PolarHBondContact OH-OE2 3.49Å; Y520-Y558 AromaticContact CD1-CD1 3.88Å; Y520-Y558 HydrophobicContact CD1-CD1 3.88Å; Y520-Y558 AromaticContact CD1-CE1 3.8Å; Y520-Y558 HydrophobicContact CD1-CE1 3.8Å; Y520-Y558 AromaticContact CE1-CD1 3.78Å; Y520-Y558 HydrophobicContact CE1-CD1 3.78Å; Y520-Y558 HydrophobicContact CE1-CE1 4.13Å
521G97.7Very high97.4Very high0 Ų027.4 Ų27.40%014%0.142CC..G310 helixtrans61.9-130.2-179.500000111.4H158 G490 L498 T517 K523 A524H158-G521 PolarHBondContact CD2-N 2.91Å; G490-G521 CarbonylContact O-C 3.54Å; G490-G521 WeakPolarHBondContact O-CA 3.44Å; L498-G521 WeakPolarHBondContact CD2-O 3.34Å; T517-G521 WeakPolarHBondContact O-CA 3.19Å; T517-G521 PolarHBondContact O-N 2.82Å; G521-K523 PolarHBondContact O-N 2.85Å; G521-A524 WeakPolarHBondContact O-CB 3.37Å; G521-A524 PolarHBondContact O-N 3.09Å
522D96.5Very high97.3Very high20 Ų2030.5 Ų30.511%0.10715%0.152CC..G310 helixtrans-64.2-21.7174.462.221.3000114.3G490 H492 G493 Y520 A524 I525G490-D522 VanDerWaalsContact CA-OD1 3.28Å; G490-D522 WeakPolarHBondContact CA-OD1 3.49Å; G490-D522 PolarHBondContact O-N 2.93Å; H492-D522 PolarHBondContact N-OD2 3.11Å; G493-D522 PolarHBondContact N-OD2 3.07Å; Y520-D522 PolarHBondContact O-N 2.95Å; D522-A524 PolarHBondContact O-N 2.87Å; D522-I525 PolarHBondContact O-N 2.94Å
523K97.4Very high97.2Very high18 Ų1836.7 Ų36.78%0.07819%0.185CC..G310 helixtrans-72.1-11176.7-55.5-64.6171.8-90.10112.9F55 E489 Y520 G521 I525 T526 I527 Y558F55-K523 WeakPolarHBondContact O-CE 3.38Å; F55-K523 PolarHBondContact O-NZ 2.95Å; E489-K523 WeakPolarHBondContact OE1-CE 3.38Å; Y520-K523 VanDerWaalsContact O-CB 3.31Å; Y520-K523 WeakPolarHBondContact O-CB 3.4Å; Y520-K523 PolarHBondContact O-N 2.9Å; G521-K523 PolarHBondContact O-N 2.85Å; K523-I525 PolarHBondContact O-N 2.95Å; K523-T526 WeakPolarHBondContact O-CB 3.44Å; K523-T526 PolarHBondContact O-N 2.93Å; K523-I527 PolarHBondContact O-N 2.79Å; K523-I527 VanDerWaalsContact O-N 3.16Å; K523-Y558 HydrophobicContact CB-CE1 4.5Å; K523-Y558 WeakPolarHBondContact CB-OH 3.43Å; K523-Y558 WeakPolarHBondContact CG-OH 3.37Å
524A98Very high97.1Very high0 Ų038.2 Ų38.20%019%0.194CC..Hα-helixtrans-55.3-32.2169.600000112.5I502 L516 T517 G521 D522 I527 A528I502-A524 HydrophobicContact CD1-CB 3.55Å; L516-A524 HydrophobicContact CB-CB 3.82Å; T517-A524 HydrophobicContact CG2-CB 3.86Å; G521-A524 WeakPolarHBondContact O-CB 3.37Å; G521-A524 PolarHBondContact O-N 3.09Å; D522-A524 PolarHBondContact O-N 2.87Å; A524-I527 PolarHBondContact O-N 3Å; A524-A528 WeakPolarHBondContact O-CB 3.36Å; A524-A528 PolarHBondContact O-N 3.13Å
525I97Very high96.9Very high49 Ų4935.1 Ų35.125%0.25121%0.207SC..Hα-helixtrans-64.9-41.9175.6-61.1173.8000110.7L498 D522 K523 I527 A528 N529L498-I525 HydrophobicContact CD1-CD1 4.08Å; L498-I525 HydrophobicContact CD1-CG1 4.32Å; D522-I525 PolarHBondContact O-N 2.94Å; K523-I525 PolarHBondContact O-N 2.95Å; I525-I527 VanDerWaalsContact C-N 3.31Å; I525-I527 PolarHBondContact O-N 2.75Å; I525-A528 PolarHBondContact O-N 3.15Å; I525-N529 PolarHBondContact O-N 3.1Å; I525-N529 PolarHBondContact O-ND2 3.39Å
526T96.6Very high96.8Very high59 Ų5939.5 Ų39.536%0.36223%0.23SC..Hα-helixtrans-62.3-41.7176-54.20000111K523 A528 N529 M530 Y558K523-T526 WeakPolarHBondContact O-CB 3.44Å; K523-T526 PolarHBondContact O-N 2.93Å; T526-A528 VanDerWaalsContact C-N 3.35Å; T526-N529 PolarHBondContact O-N 2.95Å; T526-M530 PolarHBondContact O-N 3.15Å; T526-Y558 HydrophobicContact CG2-CD2 4.35Å; T526-Y558 HydrophobicContact CG2-CE2 3.9Å
527I97.8Very high96.6Very high0 Ų050.9 Ų50.90%027%0.273CS..Hα-helixtrans-67.4-37.1177-61.7169000111.4L516 Y520 K523 A524 I525 M530 S531 I552 A554 E555 Y558L516-I527 HydrophobicContact CD1-CG2 4.24Å; L516-I527 HydrophobicContact CD2-CD1 4.37Å; L516-I527 HydrophobicContact CD2-CG2 3.85Å; Y520-I527 HydrophobicContact CD1-CD1 3.4Å; Y520-I527 HydrophobicContact CD2-CD1 3.41Å; Y520-I527 VanDerWaalsContact CD2-CD1 3.41Å; Y520-I527 HydrophobicContact CE1-CD1 3.7Å; Y520-I527 HydrophobicContact CE2-CD1 3.72Å; Y520-I527 HydrophobicContact CG-CD1 3.24Å; K523-I527 PolarHBondContact O-N 2.79Å; K523-I527 VanDerWaalsContact O-N 3.16Å; A524-I527 PolarHBondContact O-N 3Å; I525-I527 VanDerWaalsContact C-N 3.31Å; I525-I527 PolarHBondContact O-N 2.75Å; I527-M530 HydrophobicContact CG1-SD 4.47Å; I527-M530 WeakPolarHBondContact O-CG 3.46Å; I527-M530 PolarHBondContact O-N 3.35Å; I527-S531 PolarHBondContact O-N 3.46Å; I527-S531 PolarHBondContact O-OG 2.87Å; I527-I552 HydrophobicContact CG2-CD1 4.1Å; I527-A554 HydrophobicContact CG2-CB 3.93Å; I527-E555 HydrophobicContact CG2-CG 4.12Å; I527-Y558 HydrophobicContact CD1-CD1 3.75Å; I527-Y558 HydrophobicContact CD1-CD2 4.43Å; I527-Y558 HydrophobicContact CD1-CE1 4.18Å; I527-Y558 HydrophobicContact CD1-CG 3.89Å; I527-Y558 HydrophobicContact CG1-CD1 3.95Å; I527-Y558 HydrophobicContact CG1-CD2 3.72Å; I527-Y558 HydrophobicContact CG1-CE1 4.43Å; I527-Y558 HydrophobicContact CG1-CE2 4.26Å; I527-Y558 HydrophobicContact CG1-CG 3.56Å
528A97.7Very high96.5Very high0 Ų056.6 Ų56.60%029%0.294CS..Hα-helixtrans-64.5-42.817500000111.7I502 Y506 M508 A524 I525 T526 M530 S531I502-A528 HydrophobicContact CG2-CB 4.36Å; Y506-A528 HydrophobicContact CD1-CB 3.59Å; Y506-A528 HydrophobicContact CD2-CB 4.03Å; Y506-A528 HydrophobicContact CE1-CB 3.74Å; Y506-A528 HydrophobicContact CE2-CB 4.19Å; Y506-A528 HydrophobicContact CG-CB 3.74Å; M508-A528 HydrophobicContact CE-CB 3.87Å; M508-A528 HydrophobicContact SD-CB 4.35Å; A524-A528 WeakPolarHBondContact O-CB 3.36Å; A524-A528 PolarHBondContact O-N 3.13Å; I525-A528 PolarHBondContact O-N 3.15Å; T526-A528 VanDerWaalsContact C-N 3.35Å; A528-M530 VanDerWaalsContact C-N 3.34Å; A528-M530 PolarHBondContact O-N 2.96Å; A528-S531 WeakPolarHBondContact O-CB 3.45Å; A528-S531 PolarHBondContact O-N 2.84Å
529N96.7Very high96.5Very high108 Ų10856.3 Ų56.358%0.57829%0.288SS*.Hα-helixtrans-63.8-33.6177.5-80.5-55.1000114.3Y506 I525 T526 S531Y506-N529 WeakPolarHBondContact CE1-OD1 3.47Å; Y506-N529 PolarHBondContact OH-ND2 2.75Å; Y506-N529 PolarHBondContact OH-OD1 2.89Å; I525-N529 PolarHBondContact O-N 3.1Å; I525-N529 PolarHBondContact O-ND2 3.39Å; T526-N529 PolarHBondContact O-N 2.95Å; N529-S531 VanDerWaalsContact C-N 3.32Å
530M96Very high96.5Very high35 Ų3559.2 Ų59.217%0.17230%0.303CS..THydrogen-bonded Turntrans-85.3-4.7178.370-171.2-54.500113.5T526 I527 A528 A554 E557 Y558T526-M530 PolarHBondContact O-N 3.15Å; I527-M530 HydrophobicContact CG1-SD 4.47Å; I527-M530 WeakPolarHBondContact O-CG 3.46Å; I527-M530 PolarHBondContact O-N 3.35Å; A528-M530 VanDerWaalsContact C-N 3.34Å; A528-M530 PolarHBondContact O-N 2.96Å; M530-A554 HydrophobicContact CG-CB 3.94Å; M530-E557 HydrophobicContact CE-CB 3.49Å; M530-E557 VanDerWaalsContact CE-CB 3.49Å; M530-E557 HydrophobicContact CE-CG 3.4Å; M530-E557 WeakPolarHBondContact CE-OE1 3.47Å; M530-E557 WeakPolarHBondContact CE-OE2 3.44Å; M530-Y558 HydrophobicContact SD-CD2 4.01Å; M530-Y558 HydrophobicContact SD-CG 4.42Å
531S97.2Very high96.4Very high16 Ų1660.4 Ų60.411%0.11231%0.309CS..PPolyproline II helixtrans-69.5138.4-177.7-69.90000112M508 I527 A528 N529 L541 A554M508-S531 VanDerWaalsContact CE-OG 3.27Å; M508-S531 WeakPolarHBondContact CE-OG 3.18Å; I527-S531 PolarHBondContact O-N 3.46Å; I527-S531 PolarHBondContact O-OG 2.87Å; A528-S531 WeakPolarHBondContact O-CB 3.45Å; A528-S531 PolarHBondContact O-N 2.84Å; N529-S531 VanDerWaalsContact C-N 3.32Å; S531-L541 WeakPolarHBondContact O-CD2 3.38Å; S531-A554 VanDerWaalsContact OG-CB 3.27Å; S531-A554 WeakPolarHBondContact OG-CB 2.9Å
532K94Very high96.4Very high128 Ų12860.5 Ų60.556%0.55731%0.31SS*.PPolyproline II helixtrans-84.2153.6174.6-61.3179.9-177.5174.50110.7L541K532-L541 WeakPolarHBondContact O-CD2 3.31Å
533L96.4Very high96.4Very high131 Ų13164 Ų6469%0.68632%0.324SS*.BIsolated β-bridgetrans-58.4137.2172.7-68.5172.5000111G535 I540 L541L533-G535 VanDerWaalsContact C-N 3.33Å; L533-I540 HydrophobicContact CD2-CG2 3.72Å; L533-L541 HydrophobicContact CD2-CD2 3.89Å; L533-L541 HydrophobicContact CG-CD2 4.39Å
534T95.9Very high96.4Very high32 Ų3265.7 Ų65.720%0.19633%0.332CS..  trans-76-23.5176.4620000112.5L536 P539 I540 K543T534-L536 VanDerWaalsContact C-N 3.26Å; T534-L536 PolarHBondContact OG1-N 2.53Å; T534-P539 WeakPolarHBondContact CB-O 3.27Å; T534-P539 HydrophobicContact CG2-CG 4.41Å; T534-P539 WeakPolarHBondContact CG2-O 3.34Å; T534-P539 PolarHBondContact OG1-O 3.07Å; T534-I540 PolarHBondContact N-O 3.46Å; T534-I540 PolarHBondContact OG1-O 3Å; T534-K543 HydrophobicContact CG2-CB 4.3Å
535G94.7Very high96.4Very high78 Ų7866.5 Ų66.580%0.80434%0.336SS*.SBendtrans80.42.7-169.200000114L533L533-G535 VanDerWaalsContact C-N 3.33Å
536L94.4Very high96.4Very high112 Ų11264.8 Ų64.859%0.58633%0.327SS*.SBendtrans-97.7159.1177.1-56.9176.1000110.7T534 W538T534-L536 VanDerWaalsContact C-N 3.26Å; T534-L536 PolarHBondContact OG1-N 2.53Å; L536-W538 VanDerWaalsContact C-N 3.26Å
537R94.3Very high96.3Very high240 Ų24067 Ų6791%0.90634%0.343SS*.SBendtrans-65.4-35.1168.6-176.6177.3176.9174-0.1111.4
538W95.5Very high96.2Very high127 Ų12773.4 Ų73.448%0.48137%0.372SS..SBendtrans-155.4139.8174.1-174.3-86.7000109.8V503 M508 D509 L536V503-W538 HydrophobicContact CG1-CH2 3.99Å; V503-W538 HydrophobicContact CG1-CZ2 4.3Å; M508-W538 VanDerWaalsContact O-CZ2 3.27Å; M508-W538 WeakPolarHBondContact O-CZ2 3.48Å; D509-W538 PolarHBondContact OD1-NE1 2.83Å; L536-W538 VanDerWaalsContact C-N 3.26Å
539P97.1Very high96.2Very high16 Ų1673.6 Ų73.610%0.10437%0.373CS..SBendcis-65.8150-14.231.3-37.4000110.9G507 D509 T534G507-P539 CarbonylContact O-C 3.15Å; G507-P539 WeakPolarHBondContact O-CA 3.36Å; G507-P539 WeakPolarHBondContact O-CB 3.42Å; D509-P539 HydrophobicContact CB-CB 4.5Å; D509-P539 WeakPolarHBondContact OD2-CG 3.44Å; T534-P539 WeakPolarHBondContact CB-O 3.27Å; T534-P539 HydrophobicContact CG2-CG 4.41Å; T534-P539 WeakPolarHBondContact CG2-O 3.34Å; T534-P539 PolarHBondContact OG1-O 3.07Å
540I97Very high96.2Very high75 Ų7569.7 Ų69.739%0.38535%0.354SS..SBendtrans-75.1-44.3-179.3-58.9175.6000110.5G507 L533 T534G507-I540 PolarHBondContact O-N 2.66Å; L533-I540 HydrophobicContact CD2-CG2 3.72Å; T534-I540 PolarHBondContact N-O 3.46Å; T534-I540 PolarHBondContact OG1-O 3Å
541L97.5Very high96.3Very high25 Ų2568.2 Ų68.213%0.13135%0.346CS..BIsolated β-bridgetrans-120.8167.3176.9-66.7178.6000110.3Y506 M508 S531 K532 L533Y506-L541 HydrophobicContact CD1-CD1 4.01Å; Y506-L541 WeakPolarHBondContact O-CB 3.12Å; M508-L541 HydrophobicContact CE-CB 3.77Å; M508-L541 HydrophobicContact CG-CB 4.01Å; S531-L541 WeakPolarHBondContact O-CD2 3.38Å; K532-L541 WeakPolarHBondContact O-CD2 3.31Å; L533-L541 HydrophobicContact CD2-CD2 3.89Å; L533-L541 HydrophobicContact CG-CD2 4.39Å
542G96.3Very high96.3Very high2 Ų267.4 Ų67.42%0.02134%0.341CS..  trans89.153.9177.500000112.8K544 I552G542-K544 PolarHBondContact O-N 3.47Å; G542-K544 VanDerWaalsContact O-N 3.09Å; G542-I552 WeakPolarHBondContact O-CG2 3.22Å
543K97.1Very high96.6Very high92 Ų9262.3 Ų62.340%0.432%0.319SS..  trans-61.4112.4173.2-173176.6177.7-146.20109.9T534 I552 E553T534-K543 HydrophobicContact CG2-CB 4.3Å; K543-I552 CarbonylContact O-C 3.55Å; K543-I552 VanDerWaalsContact O-CA 3.25Å; K543-I552 WeakPolarHBondContact O-CA 3.2Å; K543-I552 WeakPolarHBondContact O-CB 3.45Å; K543-E553 HydrophobicContact CB-CG 4.46Å; K543-E553 HydrophobicContact CD-CG 4.46Å; K543-E553 WeakPolarHBondContact CD-OE1 3.35Å; K543-E553 VanDerWaalsContact CE-OE1 3.23Å; K543-E553 WeakPolarHBondContact CE-OE1 3.42Å; K543-E553 HydrophobicContact CG-CG 4.37Å; K543-E553 IonicContact NZ-OE1 2.71Å; K543-E553 PolarHBondContact NZ-OE1 3.17Å; K543-E553 IonicContact NZ-OE2 3.3Å; K543-E553 PolarHBondContact O-N 2.72Å
544K97.4Very high96.6Very high54 Ų5456.5 Ų56.524%0.23529%0.29CS..BIsolated β-bridgetrans-68.6146.1-179.1-66.5178.2170.6-177.90111.6D509 D511 V512 G542 F549 F551 I552D509-K544 IonicContact OD2-NZ 3.08Å; D511-K544 IonicContact OD1-NZ 3.52Å; D511-K544 IonicContact OD2-NZ 2.9Å; D511-K544 PolarHBondContact OD2-NZ 2.95Å; V512-K544 VanDerWaalsContact CG2-CE 3.47Å; V512-K544 HydrophobicContact CG2-CG 4.26Å; G542-K544 PolarHBondContact O-N 3.47Å; G542-K544 VanDerWaalsContact O-N 3.09Å; K544-F549 WeakPolarHBondContact CD-O 3.2Å; K544-F551 CarbonylContact C-O 3.01Å; K544-F551 VanDerWaalsContact CA-O 3.28Å; K544-F551 WeakPolarHBondContact CA-O 3.49Å; K544-I552 HydrophobicContact CG-CG2 4.43Å
545L97.6Very high96.8Very high18 Ų1855 Ų559%0.09428%0.281CS..SBendtrans-76.8-30.3172.3-74166.8000112.3F551 E553 V556 F570 R591 I592 L595L545-F551 HydrophobicContact CD1-CB 4.23Å; L545-F551 PolarHBondContact N-O 3.08Å; L545-E553 HydrophobicContact CD2-CG 4Å; L545-V556 HydrophobicContact CD1-CG2 3.94Å; L545-V556 HydrophobicContact CD2-CG2 4.17Å; L545-F570 HydrophobicContact CD1-CE1 3.49Å; L545-F570 VanDerWaalsContact CD1-CE1 3.49Å; L545-F570 HydrophobicContact CD1-CZ 3.61Å; L545-R591 HydrophobicContact CD2-CG 4.1Å; L545-I592 HydrophobicContact CD1-CD1 4.4Å; L545-I592 HydrophobicContact CD1-CG1 4.14Å; L545-I592 HydrophobicContact CD2-CG1 3.89Å; L545-L595 HydrophobicContact CD2-CD1 3.95Å
546H97.5Very high97Very high13 Ų1351.3 Ų51.36%0.0624%0.243CC..SBendtrans-142.4136.9175.1-173.1-83.1000108.3E548 F549 E587H546-E548 VanDerWaalsContact C-N 3.26Å; H546-E548 IonicContact CE1-OE2 3.63Å; H546-E548 PolarHBondContact ND1-N 3.14Å; H546-E548 PolarHBondContact O-N 3.5Å; H546-F549 HydrophobicContact CB-CD2 4.25Å; H546-F549 AromaticContact ND1-CD2 3.52Å; H546-F549 PolarHBondContact O-N 2.92Å; H546-F549 VanDerWaalsContact O-N 3.16Å; H546-F549 VanDerWaalsContact O-O 3.13Å; H546-E587 IonicContact CD2-OE2 2.98Å; H546-E587 IonicContact NE2-OE2 3.87Å; H546-E587 PolarHBondContact NE2-OE2 3.33Å
547P94.7Very high97.1Very high106 Ų10648.9 Ų48.969%0.68823%0.228SC*.THydrogen-bonded Turntrans-57.7-35.9-172.920.7-33.3000113.9
548E94.5Very high97.3Very high134 Ų13438.1 Ų38.163%0.62619%0.188SC*.THydrogen-bonded Turntrans-81.1-11.2-177.3-57.8-171.9154.900115.1H546H546-E548 VanDerWaalsContact C-N 3.26Å; H546-E548 IonicContact CE1-OE2 3.63Å; H546-E548 PolarHBondContact ND1-N 3.14Å; H546-E548 PolarHBondContact O-N 3.5Å
549F97.7Very high97.4Very high4 Ų432.1 Ų32.12%0.01817%0.165CC..SBendtrans-119.2145.2-173.4-69.1-92.3000112.2Y367 K544 H546 F551 L577 L580 N581 A584Y367-F549 AromaticContact CE2-CE1 3.75Å; Y367-F549 HydrophobicContact CE2-CE1 3.75Å; Y367-F549 HydrophobicContact CE2-CZ 4.38Å; Y367-F549 AromaticContact CZ-CE1 3.77Å; Y367-F549 AromaticContact CZ-CZ 3.94Å; Y367-F549 WeakPolarHBondContact OH-CE1 3.33Å; Y367-F549 WeakPolarHBondContact OH-CZ 3.4Å; K544-F549 WeakPolarHBondContact CD-O 3.2Å; H546-F549 HydrophobicContact CB-CD2 4.25Å; H546-F549 AromaticContact ND1-CD2 3.52Å; H546-F549 PolarHBondContact O-N 2.92Å; H546-F549 VanDerWaalsContact O-N 3.16Å; H546-F549 VanDerWaalsContact O-O 3.13Å; F549-F551 HydrophobicContact CB-CD2 3.59Å; F549-F551 HydrophobicContact CB-CE2 3.82Å; F549-F551 HydrophobicContact CB-CG 4.33Å; F549-F551 HydrophobicContact CD1-CD2 4.33Å; F549-F551 AromaticContact CD1-CE2 3.68Å; F549-F551 HydrophobicContact CD1-CE2 3.68Å; F549-F551 HydrophobicContact CD1-CZ 4.33Å; F549-F551 HydrophobicContact CG-CD2 4.22Å; F549-F551 HydrophobicContact CG-CE2 4.02Å; F549-F551 PolarHBondContact O-N 2.97Å; F549-L577 HydrophobicContact CB-CD1 4.36Å; F549-L577 HydrophobicContact CD1-CD1 3.69Å; F549-L577 HydrophobicContact CD2-CD1 3.73Å; F549-L577 HydrophobicContact CE1-CD1 3.83Å; F549-L577 HydrophobicContact CE2-CD1 3.92Å; F549-L577 HydrophobicContact CG-CD1 3.64Å; F549-L577 HydrophobicContact CZ-CD1 3.96Å; F549-L580 HydrophobicContact CD1-CD1 4.27Å; F549-L580 HydrophobicContact CE1-CB 3.92Å; F549-L580 HydrophobicContact CE1-CD1 4.1Å; F549-N581 HydrophobicContact CE1-CB 4.42Å; F549-N581 HydrophobicContact CE2-CB 4.21Å; F549-N581 HydrophobicContact CZ-CB 3.56Å; F549-A584 HydrophobicContact CD2-CB 3.89Å; F549-A584 HydrophobicContact CE2-CB 3.31Å; F549-A584 HydrophobicContact CZ-CB 4.08Å
550P97.4Very high97.5Very high26 Ų2632 Ų3217%0.16916%0.164CC..  trans-79.617.2-176.635.3-37.9000113.7D511 V512 H515D511-P550 HydrophobicContact CB-CB 4.25Å; V512-P550 HydrophobicContact CG2-CB 4.23Å; H515-P550 HydrophobicContact CB-CB 3.78Å; H515-P550 HydrophobicContact CB-CG 3.76Å; H515-P550 PolarHBondContact CD2-O 3.31Å
551F98.2Very high97.5Very high3 Ų334 Ų341%0.01317%0.167CC..  trans-87.4128.9-177.8-50-45.6000110.6H515 K544 L545 F549 E555 T575 L577 L580H515-F551 AromaticContact CD2-CD1 3.96Å; H515-F551 AromaticContact CE1-CD1 3.41Å; H515-F551 VanDerWaalsContact CE1-CD1 3.41Å; H515-F551 WeakPolarHBondContact CE1-CD1 3.46Å; H515-F551 AromaticContact CE1-CE1 3.32Å; H515-F551 WeakPolarHBondContact CE1-CE1 3.16Å; H515-F551 AromaticContact ND1-CD1 3.97Å; H515-F551 AromaticContact ND1-CE1 3.65Å; H515-F551 AromaticContact NE2-CD1 3.41Å; H515-F551 WeakPolarHBondContact NE2-CD1 3.38Å; H515-F551 AromaticContact NE2-CE1 3.84Å; K544-F551 CarbonylContact C-O 3.01Å; K544-F551 VanDerWaalsContact CA-O 3.28Å; K544-F551 WeakPolarHBondContact CA-O 3.49Å; L545-F551 HydrophobicContact CD1-CB 4.23Å; L545-F551 PolarHBondContact N-O 3.08Å; F549-F551 HydrophobicContact CB-CD2 3.59Å; F549-F551 HydrophobicContact CB-CE2 3.82Å; F549-F551 HydrophobicContact CB-CG 4.33Å; F549-F551 HydrophobicContact CD1-CD2 4.33Å; F549-F551 AromaticContact CD1-CE2 3.68Å; F549-F551 HydrophobicContact CD1-CE2 3.68Å; F549-F551 HydrophobicContact CD1-CZ 4.33Å; F549-F551 HydrophobicContact CG-CD2 4.22Å; F549-F551 HydrophobicContact CG-CE2 4.02Å; F549-F551 PolarHBondContact O-N 2.97Å; F551-E555 VanDerWaalsContact CA-OE1 3.27Å; F551-E555 WeakPolarHBondContact CA-OE1 3.4Å; F551-T575 HydrophobicContact CB-CG2 3.99Å; F551-T575 HydrophobicContact CD1-CG2 3.88Å; F551-T575 HydrophobicContact CD2-CG2 4.38Å; F551-T575 HydrophobicContact CE1-CG2 4.5Å; F551-T575 VanDerWaalsContact CE1-O 3.27Å; F551-T575 WeakPolarHBondContact CE1-O 3.42Å; F551-T575 HydrophobicContact CG-CG2 3.82Å; F551-T575 WeakPolarHBondContact CZ-O 3.12Å; F551-L577 HydrophobicContact CD2-CB 3.89Å; F551-L577 HydrophobicContact CD2-CD1 4Å; F551-L577 HydrophobicContact CD2-CD2 4.22Å; F551-L577 HydrophobicContact CD2-CG 4.24Å; F551-L577 HydrophobicContact CE2-CB 3.62Å; F551-L577 HydrophobicContact CE2-CD1 3.7Å; F551-L577 HydrophobicContact CE2-CG 4.14Å; F551-L580 HydrophobicContact CE2-CD1 4.29Å; F551-L580 HydrophobicContact CZ-CD1 3.82Å
552I98.4Very high97.5Very high0 Ų032.8 Ų32.80%016%0.161CC..BIsolated β-bridgetrans-114.1156.6-172.864.3169.2000113.3M508 V512 L516 I527 G542 K543 K544 A554 E555M508-I552 HydrophobicContact CE-CD1 4.23Å; V512-I552 HydrophobicContact CG1-CD1 4.34Å; V512-I552 HydrophobicContact CG1-CG2 3.59Å; V512-I552 HydrophobicContact CG2-CG2 4.06Å; L516-I552 HydrophobicContact CD1-CD1 3.91Å; L516-I552 HydrophobicContact CD2-CD1 4.33Å; L516-I552 HydrophobicContact CD2-CG1 4.37Å; I527-I552 HydrophobicContact CG2-CD1 4.1Å; G542-I552 WeakPolarHBondContact O-CG2 3.22Å; K543-I552 CarbonylContact O-C 3.55Å; K543-I552 VanDerWaalsContact O-CA 3.25Å; K543-I552 WeakPolarHBondContact O-CA 3.2Å; K543-I552 WeakPolarHBondContact O-CB 3.45Å; K544-I552 HydrophobicContact CG-CG2 4.43Å; I552-A554 HydrophobicContact CD1-CB 3.88Å; I552-A554 HydrophobicContact CG1-CB 4.17Å; I552-A554 PolarHBondContact O-N 2.9Å; I552-E555 HydrophobicContact CG1-CG 3.83Å; I552-E555 PolarHBondContact N-OE1 3.43Å; I552-E555 WeakPolarHBondContact O-CB 3.29Å; I552-E555 PolarHBondContact O-N 3.39Å
553E98.3Very high97.6Very high20 Ų2033 Ų339%0.09316%0.161CC..Hα-helixtrans-57.2-33.9-179.1-64-168.2176.300112.9K543 L545 E555 V556 R591 L595K543-E553 HydrophobicContact CB-CG 4.46Å; K543-E553 HydrophobicContact CD-CG 4.46Å; K543-E553 WeakPolarHBondContact CD-OE1 3.35Å; K543-E553 VanDerWaalsContact CE-OE1 3.23Å; K543-E553 WeakPolarHBondContact CE-OE1 3.42Å; K543-E553 HydrophobicContact CG-CG 4.37Å; K543-E553 IonicContact NZ-OE1 2.71Å; K543-E553 PolarHBondContact NZ-OE1 3.17Å; K543-E553 IonicContact NZ-OE2 3.3Å; K543-E553 PolarHBondContact O-N 2.72Å; L545-E553 HydrophobicContact CD2-CG 4Å; E553-E555 VanDerWaalsContact C-N 3.26Å; E553-E555 PolarHBondContact O-N 3.23Å; E553-V556 WeakPolarHBondContact O-CB 3.32Å; E553-V556 PolarHBondContact O-N 3.31Å; E553-V556 VanDerWaalsContact O-N 3.1Å; E553-R591 VanDerWaalsContact CD-NH2 3.27Å; E553-R591 IonicContact OE1-CZ 2.72Å; E553-R591 IonicContact OE1-NE 2.71Å; E553-R591 PolarHBondContact OE1-NE 2.95Å; E553-R591 IonicContact OE1-NH2 2.72Å; E553-R591 PolarHBondContact OE1-NH2 3.5Å; E553-R591 VanDerWaalsContact OE1-NH2 3.11Å; E553-R591 IonicContact OE2-CZ 2.65Å; E553-R591 IonicContact OE2-NE 3.82Å; E553-R591 IonicContact OE2-NH2 3.65Å; E553-R591 PolarHBondContact OE2-NH2 3.12Å; E553-L595 HydrophobicContact CB-CD1 3.69Å; E553-L595 HydrophobicContact CG-CD1 3.72Å
554A98.2Very high97.7Very high10 Ų1028.7 Ų28.78%0.08314%0.142CC..Hα-helixtrans-62.2-30.3178.400000113.5I527 M530 S531 I552 V556 E557 Y558I527-A554 HydrophobicContact CG2-CB 3.93Å; M530-A554 HydrophobicContact CG-CB 3.94Å; S531-A554 VanDerWaalsContact OG-CB 3.27Å; S531-A554 WeakPolarHBondContact OG-CB 2.9Å; I552-A554 HydrophobicContact CD1-CB 3.88Å; I552-A554 HydrophobicContact CG1-CB 4.17Å; I552-A554 PolarHBondContact O-N 2.9Å; A554-V556 PolarHBondContact O-N 3.49Å; A554-E557 PolarHBondContact O-N 3.35Å; A554-Y558 PolarHBondContact O-N 3.04Å; A554-Y558 VanDerWaalsContact O-N 3.11Å
555E98.6Very high97.7Very high0 Ų026.7 Ų26.70%014%0.135CC..Hα-helixtrans-65.7-29.3176.2-68.9177.4-107.100111.8H515 L516 Y520 I527 F551 I552 E553 Y558 A559 F570H515-E555 IonicContact CD2-OE1 3.48Å; H515-E555 PolarHBondContact CD2-OE1 2.95Å; H515-E555 IonicContact CD2-OE2 3.1Å; H515-E555 IonicContact CE1-OE2 3.94Å; H515-E555 VanDerWaalsContact NE2-CD 3.3Å; H515-E555 IonicContact NE2-OE1 2.75Å; H515-E555 PolarHBondContact NE2-OE1 2.93Å; H515-E555 IonicContact NE2-OE2 3.87Å; H515-E555 PolarHBondContact NE2-OE2 3.42Å; L516-E555 HydrophobicContact CD2-CG 3.63Å; Y520-E555 HydrophobicContact CE2-CG 3.94Å; Y520-E555 WeakPolarHBondContact CE2-OE2 3.43Å; Y520-E555 PolarHBondContact OH-OE2 3.49Å; I527-E555 HydrophobicContact CG2-CG 4.12Å; F551-E555 VanDerWaalsContact CA-OE1 3.27Å; F551-E555 WeakPolarHBondContact CA-OE1 3.4Å; I552-E555 HydrophobicContact CG1-CG 3.83Å; I552-E555 PolarHBondContact N-OE1 3.43Å; I552-E555 WeakPolarHBondContact O-CB 3.29Å; I552-E555 PolarHBondContact O-N 3.39Å; E553-E555 VanDerWaalsContact C-N 3.26Å; E553-E555 PolarHBondContact O-N 3.23Å; E555-Y558 PolarHBondContact O-N 2.93Å; E555-A559 WeakPolarHBondContact O-CB 3.27Å; E555-A559 PolarHBondContact O-N 3.2Å; E555-F570 HydrophobicContact CB-CE2 3.93Å; E555-F570 HydrophobicContact CB-CZ 4.19Å
556V98.6Very high97.7Very high1 Ų127 Ų271%0.00614%0.136CC..Hα-helixtrans-63.3-48178.8-176.90000110.1L545 E553 A554 A559 C560 F570 I592 L595 M596L545-V556 HydrophobicContact CD1-CG2 3.94Å; L545-V556 HydrophobicContact CD2-CG2 4.17Å; E553-V556 WeakPolarHBondContact O-CB 3.32Å; E553-V556 PolarHBondContact O-N 3.31Å; E553-V556 VanDerWaalsContact O-N 3.1Å; A554-V556 PolarHBondContact O-N 3.49Å; V556-A559 PolarHBondContact O-N 2.67Å; V556-C560 PolarHBondContact O-N 3.18Å; V556-C560 PolarHBondContact O-SG 3.02Å; V556-F570 HydrophobicContact CB-CE2 4.34Å; V556-F570 HydrophobicContact CB-CZ 4.37Å; V556-F570 HydrophobicContact CG2-CD1 4.28Å; V556-F570 HydrophobicContact CG2-CD2 4.47Å; V556-F570 HydrophobicContact CG2-CE1 3.7Å; V556-F570 HydrophobicContact CG2-CE2 3.92Å; V556-F570 HydrophobicContact CG2-CZ 3.48Å; V556-F570 VanDerWaalsContact CG2-CZ 3.48Å; V556-I592 HydrophobicContact CG1-CG2 4.46Å; V556-L595 HydrophobicContact CB-CB 4.21Å; V556-L595 HydrophobicContact CB-CD1 4.36Å; V556-L595 HydrophobicContact CG1-CB 3.79Å; V556-L595 HydrophobicContact CG2-CD1 4Å; V556-M596 HydrophobicContact CG1-CB 4.38Å; V556-M596 HydrophobicContact CG1-CG 3.3Å; V556-M596 HydrophobicContact CG1-SD 4.45Å
557E97Very high97.8Very high60 Ų6026.3 Ų26.328%0.2813%0.133SC..Hα-helixtrans-64.4-44177.3-175.5-173.8154.900111.1M530 A554 A559 C560 R561 H599M530-E557 HydrophobicContact CE-CB 3.49Å; M530-E557 VanDerWaalsContact CE-CB 3.49Å; M530-E557 HydrophobicContact CE-CG 3.4Å; M530-E557 WeakPolarHBondContact CE-OE1 3.47Å; M530-E557 WeakPolarHBondContact CE-OE2 3.44Å; A554-E557 PolarHBondContact O-N 3.35Å; E557-A559 VanDerWaalsContact C-N 3.33Å; E557-A559 PolarHBondContact O-N 3.4Å; E557-C560 PolarHBondContact O-N 2.87Å; E557-R561 PolarHBondContact O-N 3.33Å; E557-R561 IonicContact OE1-CZ 2.72Å; E557-R561 IonicContact OE1-NE 3.25Å; E557-R561 IonicContact OE1-NH2 2.93Å; E557-R561 PolarHBondContact OE1-NH2 3.21Å; E557-H599 WeakPolarHBondContact CG-ND1 3.48Å
558Y98.1Very high98Very high15 Ų1522.2 Ų22.26%0.05911%0.106CC..Hα-helixtrans-63.4-40.1178.2-166.3-95.3000112.1Y520 K523 T526 I527 M530 A554 E555 C560 R561 E562Y520-Y558 AromaticContact CD1-CD1 3.88Å; Y520-Y558 HydrophobicContact CD1-CD1 3.88Å; Y520-Y558 AromaticContact CD1-CE1 3.8Å; Y520-Y558 HydrophobicContact CD1-CE1 3.8Å; Y520-Y558 AromaticContact CE1-CD1 3.78Å; Y520-Y558 HydrophobicContact CE1-CD1 3.78Å; Y520-Y558 HydrophobicContact CE1-CE1 4.13Å; K523-Y558 HydrophobicContact CB-CE1 4.5Å; K523-Y558 WeakPolarHBondContact CB-OH 3.43Å; K523-Y558 WeakPolarHBondContact CG-OH 3.37Å; T526-Y558 HydrophobicContact CG2-CD2 4.35Å; T526-Y558 HydrophobicContact CG2-CE2 3.9Å; I527-Y558 HydrophobicContact CD1-CD1 3.75Å; I527-Y558 HydrophobicContact CD1-CD2 4.43Å; I527-Y558 HydrophobicContact CD1-CE1 4.18Å; I527-Y558 HydrophobicContact CD1-CG 3.89Å; I527-Y558 HydrophobicContact CG1-CD1 3.95Å; I527-Y558 HydrophobicContact CG1-CD2 3.72Å; I527-Y558 HydrophobicContact CG1-CE1 4.43Å; I527-Y558 HydrophobicContact CG1-CE2 4.26Å; I527-Y558 HydrophobicContact CG1-CG 3.56Å; M530-Y558 HydrophobicContact SD-CD2 4.01Å; M530-Y558 HydrophobicContact SD-CG 4.42Å; A554-Y558 PolarHBondContact O-N 3.04Å; A554-Y558 VanDerWaalsContact O-N 3.11Å; E555-Y558 PolarHBondContact O-N 2.93Å; Y558-C560 VanDerWaalsContact C-N 3.29Å; Y558-C560 PolarHBondContact O-N 2.88Å; Y558-R561 WeakPolarHBondContact O-CA 3.39Å; Y558-R561 VanDerWaalsContact O-CB 3.3Å; Y558-R561 WeakPolarHBondContact O-CB 3.47Å; Y558-R561 PolarHBondContact O-N 2.94Å; Y558-E562 HydrophobicContact CD1-CG 4.28Å; Y558-E562 HydrophobicContact CE1-CG 3.95Å; Y558-E562 VanDerWaalsContact CE1-OE1 3.27Å; Y558-E562 WeakPolarHBondContact CE1-OE1 3.34Å; Y558-E562 PolarHBondContact O-N 3.21Å; Y558-E562 VanDerWaalsContact O-N 3.16Å
559A98.4Very high98.2Very high0 Ų015.9 Ų15.90%08%0.076CC..Hα-helixtrans-60-37.3176.900000112.6E555 V556 E557 R561 E562 Y563 A564 F570 R574E555-A559 WeakPolarHBondContact O-CB 3.27Å; E555-A559 PolarHBondContact O-N 3.2Å; V556-A559 PolarHBondContact O-N 2.67Å; E557-A559 VanDerWaalsContact C-N 3.33Å; E557-A559 PolarHBondContact O-N 3.4Å; A559-R561 VanDerWaalsContact C-N 3.28Å; A559-R561 PolarHBondContact O-N 3.33Å; A559-E562 CarbonylContact O-C 2.91Å; A559-E562 WeakPolarHBondContact O-CA 3.48Å; A559-E562 PolarHBondContact O-N 3.4Å; A559-Y563 PolarHBondContact O-N 3.36Å; A559-A564 HydrophobicContact CB-CB 4.03Å; A559-A564 WeakPolarHBondContact O-CB 3.38Å; A559-A564 PolarHBondContact O-N 3.49Å; A559-F570 HydrophobicContact CB-CD2 3.59Å; A559-F570 HydrophobicContact CB-CE2 4.14Å; A559-R574 HydrophobicContact CB-CB 4.11Å; A559-R574 HydrophobicContact CB-CG 3.49Å; A559-R574 VanDerWaalsContact CB-CG 3.49Å
560C98.3Very high98.2Very high13 Ų1315.7 Ų15.79%0.0888%0.076CC..Hα-helixtrans-63.3-34.8173.7-68.80000112.3V556 E557 Y558 E562 Y563 H599 L600V556-C560 PolarHBondContact O-N 3.18Å; V556-C560 PolarHBondContact O-SG 3.02Å; E557-C560 PolarHBondContact O-N 2.87Å; Y558-C560 VanDerWaalsContact C-N 3.29Å; Y558-C560 PolarHBondContact O-N 2.88Å; C560-E562 PolarHBondContact O-N 3.39Å; C560-Y563 PolarHBondContact O-N 3.32Å; C560-Y563 VanDerWaalsContact O-N 3.13Å; C560-H599 WeakPolarHBondContact CB-CD2 3.47Å; C560-L600 HydrophobicContact CB-CD2 4.18Å
561R96.9Very high98.3Very high118 Ų11814.5 Ų14.545%0.4457%0.068SC..Hα-helixtrans-67.7-23.8172.6-55.2178.6-173-165.52.1112.2E557 Y558 A559 Y563E557-R561 PolarHBondContact O-N 3.33Å; E557-R561 IonicContact OE1-CZ 2.72Å; E557-R561 IonicContact OE1-NE 3.25Å; E557-R561 IonicContact OE1-NH2 2.93Å; E557-R561 PolarHBondContact OE1-NH2 3.21Å; Y558-R561 WeakPolarHBondContact O-CA 3.39Å; Y558-R561 VanDerWaalsContact O-CB 3.3Å; Y558-R561 WeakPolarHBondContact O-CB 3.47Å; Y558-R561 PolarHBondContact O-N 2.94Å; A559-R561 VanDerWaalsContact C-N 3.28Å; A559-R561 PolarHBondContact O-N 3.33Å; R561-Y563 VanDerWaalsContact C-N 3.27Å
562E98Very high98.2Very high0 Ų014.4 Ų14.40%07%0.067CC..THydrogen-bonded Turntrans-96.935.7171.1-60179.7135.600112.2L59 R232 L235 L239 Y558 A559 C560 A564 R574L59-E562 HydrophobicContact CD1-CG 4.41Å; R232-E562 IonicContact CZ-OE1 2.68Å; R232-E562 IonicContact CZ-OE2 3.39Å; R232-E562 VanDerWaalsContact NH1-CD 3.28Å; R232-E562 IonicContact NH1-OE1 2.76Å; R232-E562 PolarHBondContact NH1-OE1 3.33Å; R232-E562 IonicContact NH1-OE2 3.34Å; R232-E562 PolarHBondContact NH1-OE2 3.07Å; R232-E562 IonicContact NH2-OE1 3.16Å; R232-E562 PolarHBondContact NH2-OE1 2.98Å; R232-E562 IonicContact NH2-OE2 3.68Å; L235-E562 HydrophobicContact CD2-CB 4.39Å; L239-E562 HydrophobicContact CD1-CB 4.28Å; L239-E562 HydrophobicContact CD1-CG 3.89Å; L239-E562 VanDerWaalsContact CD1-OE1 3.3Å; L239-E562 WeakPolarHBondContact CD1-OE1 3.02Å; Y558-E562 HydrophobicContact CD1-CG 4.28Å; Y558-E562 HydrophobicContact CE1-CG 3.95Å; Y558-E562 VanDerWaalsContact CE1-OE1 3.27Å; Y558-E562 WeakPolarHBondContact CE1-OE1 3.34Å; Y558-E562 PolarHBondContact O-N 3.21Å; Y558-E562 VanDerWaalsContact O-N 3.16Å; A559-E562 CarbonylContact O-C 2.91Å; A559-E562 WeakPolarHBondContact O-CA 3.48Å; A559-E562 PolarHBondContact O-N 3.4Å; C560-E562 PolarHBondContact O-N 3.39Å; E562-A564 VanDerWaalsContact C-N 3.28Å; E562-A564 PolarHBondContact O-N 2.89Å; E562-R574 PolarHBondContact O-NH2 2.84Å
563Y98.5Very high98.2Very high6 Ų615.1 Ų15.12%0.0247%0.07CC..THydrogen-bonded Turntrans65.716.1170.8-39.5-63.6000115.9P60 R62 H65 F108 L239 I248 N250 A559 C560 R561 C565P60-Y563 VanDerWaalsContact O-CE1 3.23Å; P60-Y563 WeakPolarHBondContact O-CE1 3.21Å; P60-Y563 PolarHBondContact O-OH 3.32Å; R62-Y563 HydrophobicContact CB-CD1 4.08Å; H65-Y563 AromaticContact CD2-CE1 3.86Å; H65-Y563 AromaticContact CD2-CZ 3.94Å; H65-Y563 AromaticContact NE2-CE1 3.96Å; H65-Y563 AromaticContact NE2-CZ 3.62Å; H65-Y563 PolarHBondContact NE2-OH 2.79Å; F108-Y563 AromaticContact CE2-CD2 3.93Å; F108-Y563 HydrophobicContact CE2-CD2 3.93Å; F108-Y563 HydrophobicContact CE2-CG 4.47Å; L239-Y563 HydrophobicContact CD2-CD2 3.9Å; L239-Y563 HydrophobicContact CD2-CE2 3.44Å; L239-Y563 VanDerWaalsContact CD2-CE2 3.44Å; I248-Y563 HydrophobicContact CD1-CD2 4.36Å; I248-Y563 HydrophobicContact CD1-CE2 3.69Å; I248-Y563 HydrophobicContact CG1-CE2 4.07Å; N250-Y563 PolarHBondContact ND2-O 3.17Å; A559-Y563 PolarHBondContact O-N 3.36Å; C560-Y563 PolarHBondContact O-N 3.32Å; C560-Y563 VanDerWaalsContact O-N 3.13Å; R561-Y563 VanDerWaalsContact C-N 3.27Å; Y563-C565 PolarHBondContact O-N 3.44Å; Y563-C565 VanDerWaalsContact O-N 3.16Å; Y563-C565 PolarHBondContact O-SG 2.89Å
564A98.6Very high98.2Very high1 Ų114.4 Ų14.41%0.0087%0.066CC..  trans-64116.8169.400000109.9A559 E562 D569 M596A559-A564 HydrophobicContact CB-CB 4.03Å; A559-A564 WeakPolarHBondContact O-CB 3.38Å; A559-A564 PolarHBondContact O-N 3.49Å; E562-A564 VanDerWaalsContact C-N 3.28Å; E562-A564 PolarHBondContact O-N 2.89Å; A564-D569 HydrophobicContact CB-CB 3.8Å; A564-M596 HydrophobicContact CB-CE 4.34Å
565C98.4Very high98.2Very high13 Ų1314 Ų149%0.0886%0.063CC..  trans-112.5-20.7-174.3-63.80000113Y251 L292 Y563 D569 W602Y251-C565 HydrophobicContact CD2-CB 3.88Å; Y251-C565 HydrophobicContact CE2-CB 3.72Å; L292-C565 HydrophobicContact CD1-CB 3.74Å; L292-C565 HydrophobicContact CD2-CB 4.34Å; Y563-C565 PolarHBondContact O-N 3.44Å; Y563-C565 VanDerWaalsContact O-N 3.16Å; Y563-C565 PolarHBondContact O-SG 2.89Å; C565-D569 PolarHBondContact N-OD2 2.89Å; C565-W602 WeakPolarHBondContact O-CZ2 3.24Å
566H98.5Very high98.1Very high23 Ų2314 Ų1411%0.1066%0.063CC..SBendtrans-126.1157176.4-73-98.6000110.8Y251 L292 V568 D569 M596 R606 E610 E613Y251-H566 AromaticContact CE1-CD2 3.48Å; Y251-H566 VanDerWaalsContact CE1-CD2 3.48Å; Y251-H566 WeakPolarHBondContact CE1-CD2 3.18Å; Y251-H566 AromaticContact CE1-NE2 3.73Å; Y251-H566 AromaticContact CE2-CD2 3.83Å; Y251-H566 AromaticContact CZ-CD2 3.24Å; Y251-H566 AromaticContact CZ-NE2 3.99Å; Y251-H566 PolarHBondContact OH-CD2 3.34Å; L292-H566 VanDerWaalsContact CD2-NE2 3.29Å; L292-H566 WeakPolarHBondContact CD2-NE2 3.48Å; H566-V568 PolarHBondContact O-N 3.16Å; H566-D569 PolarHBondContact N-OD2 2.57Å; H566-D569 WeakPolarHBondContact O-CB 3.49Å; H566-D569 PolarHBondContact O-N 3.19Å; H566-M596 WeakPolarHBondContact O-CE 3.38Å; H566-R606 PolarHBondContact CE1-NH2 3.02Å; H566-R606 PolarHBondContact ND1-NH2 3.35Å; H566-R606 PolarHBondContact NE2-NH2 2.82Å; H566-E610 WeakPolarHBondContact CA-OE2 3.31Å; H566-E610 IonicContact CE1-OE1 3.58Å; H566-E610 IonicContact CG-OE1 3.17Å; H566-E610 IonicContact CG-OE2 2.72Å; H566-E610 IonicContact ND1-OE1 2.96Å; H566-E610 PolarHBondContact ND1-OE1 3.49Å; H566-E610 IonicContact ND1-OE2 3.27Å; H566-E613 IonicContact CE1-OE2 3.82Å; H566-E613 IonicContact ND1-OE2 3.83Å
567V98.6Very high98.1Very high0 Ų014 Ų140%06%0.063CC..Hα-helixtrans-61.5-33.2-179.5176.50000112.6D569 F570 L571 L589 I592 V593 M596 W602 E610 A614V567-D569 PolarHBondContact O-N 2.91Å; V567-F570 PolarHBondContact O-N 3.43Å; V567-L571 HydrophobicContact CG1-CD1 3.97Å; V567-L571 HydrophobicContact CG1-CG 4.31Å; V567-L571 PolarHBondContact O-N 3.36Å; V567-L589 HydrophobicContact CB-CD1 4.45Å; V567-L589 HydrophobicContact CG1-CD1 3.35Å; V567-I592 HydrophobicContact CG1-CB 4.4Å; V567-I592 HydrophobicContact CG1-CG2 3.76Å; V567-V593 HydrophobicContact CG1-CG2 4.48Å; V567-V593 HydrophobicContact CG2-CG2 3.82Å; V567-M596 HydrophobicContact CB-SD 4.34Å; V567-M596 HydrophobicContact CG2-SD 3.92Å; V567-W602 HydrophobicContact CG2-CH2 3.82Å; V567-W602 HydrophobicContact CG2-CZ3 3.79Å; V567-E610 HydrophobicContact CG2-CB 3.93Å; V567-E610 HydrophobicContact CG2-CG 4.46Å; V567-E610 PolarHBondContact N-OE2 3.29Å; V567-A614 HydrophobicContact CB-CB 4.41Å; V567-A614 HydrophobicContact CG1-CB 4.27Å
568V98.3Very high98.1Very high20 Ų2011.1 Ų11.112%0.1215%0.05CC..Hα-helixtrans-60.9-31.7174.11780000111.7H566 F570 A572 A614 F617H566-V568 PolarHBondContact O-N 3.16Å; V568-F570 VanDerWaalsContact C-N 3.26Å; V568-F570 PolarHBondContact O-N 2.93Å; V568-A572 HydrophobicContact CG1-CB 4.04Å; V568-A572 WeakPolarHBondContact O-CA 3.49Å; V568-A572 WeakPolarHBondContact O-CB 3.5Å; V568-A572 PolarHBondContact O-N 3.4Å; V568-A614 HydrophobicContact CG2-CB 4.18Å; V568-F617 HydrophobicContact CG1-CD1 3.85Å; V568-F617 HydrophobicContact CG1-CD2 3.76Å; V568-F617 HydrophobicContact CG1-CE1 3.9Å; V568-F617 HydrophobicContact CG1-CE2 3.83Å; V568-F617 HydrophobicContact CG1-CG 3.78Å; V568-F617 HydrophobicContact CG1-CZ 3.9Å; V568-F617 HydrophobicContact CG2-CB 3.87Å; V568-F617 HydrophobicContact CG2-CD1 4.04Å; V568-F617 HydrophobicContact CG2-CG 3.9Å
569D98.7Very high98.1Very high0 Ų010.5 Ų10.50%05%0.047CC..Iπ-helixtrans-62.5-37.8177.9-61.2-18.4000111.9D107 Y251 A564 C565 H566 V567 R573 R574D107-D569 WeakPolarHBondContact CB-OD1 3.49Å; D107-D569 WeakPolarHBondContact OD2-CB 3.33Å; Y251-D569 WeakPolarHBondContact CE2-OD2 3.31Å; Y251-D569 VanDerWaalsContact OH-CG 3.24Å; Y251-D569 PolarHBondContact OH-OD1 2.81Å; Y251-D569 PolarHBondContact OH-OD2 2.98Å; Y251-D569 VanDerWaalsContact OH-OD2 3.08Å; A564-D569 HydrophobicContact CB-CB 3.8Å; C565-D569 PolarHBondContact N-OD2 2.89Å; H566-D569 PolarHBondContact N-OD2 2.57Å; H566-D569 WeakPolarHBondContact O-CB 3.49Å; H566-D569 PolarHBondContact O-N 3.19Å; V567-D569 PolarHBondContact O-N 2.91Å; D569-R573 WeakPolarHBondContact O-CB 3.36Å; D569-R573 PolarHBondContact O-N 2.8Å; D569-R573 IonicContact OD1-CZ 3.97Å; D569-R573 IonicContact OD1-NE 2.95Å; D569-R573 IonicContact OD1-NH2 3.45Å; D569-R573 PolarHBondContact OD1-NH2 3.26Å; D569-R574 PolarHBondContact O-N 2.76Å; D569-R574 PolarHBondContact O-NH1 2.89Å
570F98.6Very high98.1Very high1 Ų110.7 Ų10.70%0.0045%0.048CC..Iπ-helixtrans-75.1-57.6177.5-179-102.9000111.1L545 E555 V556 A559 V567 V568 A572 R574 T575 I592 M596L545-F570 HydrophobicContact CD1-CE1 3.49Å; L545-F570 VanDerWaalsContact CD1-CE1 3.49Å; L545-F570 HydrophobicContact CD1-CZ 3.61Å; E555-F570 HydrophobicContact CB-CE2 3.93Å; E555-F570 HydrophobicContact CB-CZ 4.19Å; V556-F570 HydrophobicContact CB-CE2 4.34Å; V556-F570 HydrophobicContact CB-CZ 4.37Å; V556-F570 HydrophobicContact CG2-CD1 4.28Å; V556-F570 HydrophobicContact CG2-CD2 4.47Å; V556-F570 HydrophobicContact CG2-CE1 3.7Å; V556-F570 HydrophobicContact CG2-CE2 3.92Å; V556-F570 HydrophobicContact CG2-CZ 3.48Å; V556-F570 VanDerWaalsContact CG2-CZ 3.48Å; A559-F570 HydrophobicContact CB-CD2 3.59Å; A559-F570 HydrophobicContact CB-CE2 4.14Å; V567-F570 PolarHBondContact O-N 3.43Å; V568-F570 VanDerWaalsContact C-N 3.26Å; V568-F570 PolarHBondContact O-N 2.93Å; F570-A572 PolarHBondContact O-N 2.93Å; F570-R574 HydrophobicContact CD2-CB 3.77Å; F570-R574 HydrophobicContact CD2-CG 4.26Å; F570-R574 HydrophobicContact CE2-CB 4.23Å; F570-R574 PolarHBondContact O-N 3.38Å; F570-T575 HydrophobicContact CD1-CG2 4.41Å; F570-T575 HydrophobicContact CD2-CG2 4.38Å; F570-T575 HydrophobicContact CE1-CG2 3.67Å; F570-T575 HydrophobicContact CE2-CG2 3.64Å; F570-T575 HydrophobicContact CZ-CG2 3.23Å; F570-T575 PolarHBondContact O-N 2.83Å; F570-T575 VanDerWaalsContact O-N 3.1Å; F570-T575 PolarHBondContact O-OG1 3.16Å; F570-I592 HydrophobicContact CD1-CD1 3.93Å; F570-I592 HydrophobicContact CD1-CG1 4.18Å; F570-I592 HydrophobicContact CD1-CG2 3.69Å; F570-I592 HydrophobicContact CE1-CD1 3.89Å; F570-I592 HydrophobicContact CE1-CG1 4.05Å; F570-I592 HydrophobicContact CE1-CG2 4.31Å; F570-I592 HydrophobicContact CG-CG2 4.38Å; F570-M596 HydrophobicContact CB-SD 4.17Å
571L98.2Very high98.1Very high0 Ų011 Ų110%05%0.049CC..Iπ-helixtrans-59.9-44.5-176.6-79.7177.9000113V567 R576 L577 A578 A585 L589 I592V567-L571 HydrophobicContact CG1-CD1 3.97Å; V567-L571 HydrophobicContact CG1-CG 4.31Å; V567-L571 PolarHBondContact O-N 3.36Å; L571-R576 CarbonylContact O-C 3.53Å; L571-R576 WeakPolarHBondContact O-CA 3.47Å; L571-R576 PolarHBondContact O-N 3.39Å; L571-L577 HydrophobicContact CD2-CB 4.23Å; L571-L577 HydrophobicContact CD2-CD2 4.02Å; L571-L577 HydrophobicContact CD2-CG 4.45Å; L571-L577 PolarHBondContact O-N 3.13Å; L571-L577 VanDerWaalsContact O-N 3.13Å; L571-A578 HydrophobicContact CB-CB 4.25Å; L571-A578 PolarHBondContact O-N 2.72Å; L571-A585 HydrophobicContact CD2-CB 4.14Å; L571-L589 HydrophobicContact CD1-CD1 3.72Å; L571-I592 HydrophobicContact CD2-CD1 3.43Å; L571-I592 VanDerWaalsContact CD2-CD1 3.43Å; L571-I592 HydrophobicContact CG-CD1 4Å
572A97.9Very high98.1Very high1 Ų15.6 Ų5.61%0.0083%0.029CC..Iπ-helixtrans-82.4-40.2-17600000111.3V568 F570 R576 F579 F617V568-A572 HydrophobicContact CG1-CB 4.04Å; V568-A572 WeakPolarHBondContact O-CA 3.49Å; V568-A572 WeakPolarHBondContact O-CB 3.5Å; V568-A572 PolarHBondContact O-N 3.4Å; F570-A572 PolarHBondContact O-N 2.93Å; A572-R576 WeakPolarHBondContact O-CD 3.47Å; A572-R576 PolarHBondContact O-NE 3.38Å; A572-R576 PolarHBondContact O-NH1 3.5Å; A572-F579 HydrophobicContact CB-CE2 4.07Å; A572-F617 HydrophobicContact CB-CE1 3.98Å; A572-F617 HydrophobicContact CB-CZ 3.64Å
573R98.1Very high97.9Very high16 Ų1610.9 Ų10.96%0.065%0.049CC..Iπ-helixtrans-121.2-17.7-164-68.4168.7-79.7-80.65.6116D107 F108 A231 D569D107-R573 WeakPolarHBondContact OD2-CD 3.35Å; D107-R573 IonicContact OD2-CZ 3.39Å; D107-R573 IonicContact OD2-NE 2.66Å; D107-R573 PolarHBondContact OD2-NE 2.79Å; D107-R573 IonicContact OD2-NH2 3.7Å; F108-R573 WeakPolarHBondContact O-CD 3.49Å; A231-R573 HydrophobicContact CB-CB 4.13Å; A231-R573 HydrophobicContact CB-CG 4.1Å; D569-R573 WeakPolarHBondContact O-CB 3.36Å; D569-R573 PolarHBondContact O-N 2.8Å; D569-R573 IonicContact OD1-CZ 3.97Å; D569-R573 IonicContact OD1-NE 2.95Å; D569-R573 IonicContact OD1-NH2 3.45Å; D569-R573 PolarHBondContact OD1-NH2 3.26Å
574R98.1Very high97.8Very high4 Ų410.7 Ų10.72%0.0155%0.049CC..Iπ-helixtrans-98.2-38.7178.2-64-9.9-176.4-106.113.1112.5D107 L235 A559 E562 D569 F570D107-R574 IonicContact OD1-NH1 2.77Å; D107-R574 IonicContact OD1-NH2 3.71Å; D107-R574 PolarHBondContact OD1-NH2 2.76Å; D107-R574 IonicContact OD2-CZ 2.73Å; D107-R574 IonicContact OD2-NH1 3.54Å; D107-R574 PolarHBondContact OD2-NH1 3.18Å; D107-R574 IonicContact OD2-NH2 3.38Å; L235-R574 VanDerWaalsContact CD2-NE 3.26Å; A559-R574 HydrophobicContact CB-CB 4.11Å; A559-R574 HydrophobicContact CB-CG 3.49Å; A559-R574 VanDerWaalsContact CB-CG 3.49Å; E562-R574 PolarHBondContact O-NH2 2.84Å; D569-R574 PolarHBondContact O-N 2.76Å; D569-R574 PolarHBondContact O-NH1 2.89Å; F570-R574 HydrophobicContact CD2-CB 3.77Å; F570-R574 HydrophobicContact CD2-CG 4.26Å; F570-R574 HydrophobicContact CE2-CB 4.23Å; F570-R574 PolarHBondContact O-N 3.38Å
575T97Very high97.8Very high1 Ų110.6 Ų10.61%0.0065%0.048CC..SBendtrans-107.7-26.4177.556.70000113.6F551 F570 L577F551-T575 HydrophobicContact CB-CG2 3.99Å; F551-T575 HydrophobicContact CD1-CG2 3.88Å; F551-T575 HydrophobicContact CD2-CG2 4.38Å; F551-T575 HydrophobicContact CE1-CG2 4.5Å; F551-T575 VanDerWaalsContact CE1-O 3.27Å; F551-T575 WeakPolarHBondContact CE1-O 3.42Å; F551-T575 HydrophobicContact CG-CG2 3.82Å; F551-T575 WeakPolarHBondContact CZ-O 3.12Å; F570-T575 HydrophobicContact CD1-CG2 4.41Å; F570-T575 HydrophobicContact CD2-CG2 4.38Å; F570-T575 HydrophobicContact CE1-CG2 3.67Å; F570-T575 HydrophobicContact CE2-CG2 3.64Å; F570-T575 HydrophobicContact CZ-CG2 3.23Å; F570-T575 PolarHBondContact O-N 2.83Å; F570-T575 VanDerWaalsContact O-N 3.1Å; F570-T575 PolarHBondContact O-OG1 3.16Å; T575-L577 PolarHBondContact O-N 3.21Å; T575-L577 PolarHBondContact OG1-N 3Å
576R97.7Very high97.7Very high1 Ų112.7 Ų12.70%0.0046%0.057CC..  trans6613-170.4-45.3-60.3-65.1173.7-5.9113.5S114 E229 D230 A231 W364 M365 L571 A572 A578 F579 L580S114-R576 PolarHBondContact O-NH2 3.22Å; E229-R576 HydrophobicContact CG-CG 4.43Å; E229-R576 VanDerWaalsContact OE1-CD 3.27Å; E229-R576 WeakPolarHBondContact OE1-CD 3.42Å; E229-R576 IonicContact OE1-NE 3.83Å; E229-R576 IonicContact OE2-NE 2.72Å; D230-R576 IonicContact OD1-NH2 2.67Å; A231-R576 VanDerWaalsContact CB-NH1 3.3Å; W364-R576 HydrophobicContact CH2-CB 3.92Å; W364-R576 HydrophobicContact CH2-CG 4.26Å; W364-R576 HydrophobicContact CZ2-CB 4.3Å; W364-R576 HydrophobicContact CZ2-CG 4.19Å; M365-R576 HydrophobicContact CE-CB 4.32Å; M365-R576 HydrophobicContact CE-CG 3.92Å; M365-R576 HydrophobicContact SD-CB 3.96Å; M365-R576 HydrophobicContact SD-CG 4.17Å; L571-R576 CarbonylContact O-C 3.53Å; L571-R576 WeakPolarHBondContact O-CA 3.47Å; L571-R576 PolarHBondContact O-N 3.39Å; A572-R576 WeakPolarHBondContact O-CD 3.47Å; A572-R576 PolarHBondContact O-NE 3.38Å; A572-R576 PolarHBondContact O-NH1 3.5Å; R576-A578 VanDerWaalsContact C-N 3.25Å; R576-A578 PolarHBondContact O-N 3.22Å; R576-F579 HydrophobicContact CB-CB 4.44Å; R576-F579 VanDerWaalsContact NH2-CZ 3.26Å; R576-F579 CarbonylContact O-C 3.53Å; R576-F579 WeakPolarHBondContact O-CA 3.42Å; R576-F579 WeakPolarHBondContact O-CB 3.49Å; R576-F579 PolarHBondContact O-N 3.38Å; R576-L580 PolarHBondContact O-N 3.46Å
577L98.2Very high97.7Very high1 Ų117.8 Ų17.81%0.0058%0.081CC..Hα-helixtrans-54.5-41.5-178.7-179.357.9000112.2F549 F551 L571 T575 F579 L580 N581 A584 A585 A588F549-L577 HydrophobicContact CB-CD1 4.36Å; F549-L577 HydrophobicContact CD1-CD1 3.69Å; F549-L577 HydrophobicContact CD2-CD1 3.73Å; F549-L577 HydrophobicContact CE1-CD1 3.83Å; F549-L577 HydrophobicContact CE2-CD1 3.92Å; F549-L577 HydrophobicContact CG-CD1 3.64Å; F549-L577 HydrophobicContact CZ-CD1 3.96Å; F551-L577 HydrophobicContact CD2-CB 3.89Å; F551-L577 HydrophobicContact CD2-CD1 4Å; F551-L577 HydrophobicContact CD2-CD2 4.22Å; F551-L577 HydrophobicContact CD2-CG 4.24Å; F551-L577 HydrophobicContact CE2-CB 3.62Å; F551-L577 HydrophobicContact CE2-CD1 3.7Å; F551-L577 HydrophobicContact CE2-CG 4.14Å; L571-L577 HydrophobicContact CD2-CB 4.23Å; L571-L577 HydrophobicContact CD2-CD2 4.02Å; L571-L577 HydrophobicContact CD2-CG 4.45Å; L571-L577 PolarHBondContact O-N 3.13Å; L571-L577 VanDerWaalsContact O-N 3.13Å; T575-L577 PolarHBondContact O-N 3.21Å; T575-L577 PolarHBondContact OG1-N 3Å; L577-F579 PolarHBondContact O-N 2.89Å; L577-L580 PolarHBondContact O-N 3.07Å; L577-N581 CarbonylContact O-C 3.55Å; L577-N581 PolarHBondContact O-N 3.46Å; L577-N581 VanDerWaalsContact O-O 3.13Å; L577-A584 HydrophobicContact CD1-CB 3.96Å; L577-A585 HydrophobicContact CD2-CB 4.38Å; L577-A585 HydrophobicContact CG-CB 3.98Å; L577-A588 HydrophobicContact CD2-CB 3.91Å
578A98Very high97.7Very high0 Ų017.9 Ų17.90%08%0.081CC..Hα-helixtrans-62.6-28.3176.300000113.5L571 R576 A585 F617 L618 M622L571-A578 HydrophobicContact CB-CB 4.25Å; L571-A578 PolarHBondContact O-N 2.72Å; R576-A578 VanDerWaalsContact C-N 3.25Å; R576-A578 PolarHBondContact O-N 3.22Å; A578-A585 HydrophobicContact CB-CB 4.26Å; A578-F617 HydrophobicContact CB-CE1 3.91Å; A578-L618 HydrophobicContact CB-CD2 3.78Å; A578-M622 HydrophobicContact CB-CG 4.09Å; A578-M622 HydrophobicContact CB-SD 4.13Å
579F98.1Very high97.6Very high2 Ų217 Ų171%0.0098%0.076CC..Hα-helixtrans-82.3-27.1173.6-75.2-107.6000112R115 I336 W364 S414 W416 A572 R576 L577 M622R115-F579 HydrophobicContact CG-CZ 4.41Å; I336-F579 WeakPolarHBondContact CG1-O 3.46Å; W364-F579 HydrophobicContact CH2-CB 3.86Å; W364-F579 HydrophobicContact CZ3-CB 3.94Å; S414-F579 WeakPolarHBondContact CB-O 3.44Å; S414-F579 PolarHBondContact OG-O 3.13Å; W416-F579 HydrophobicContact CB-CE1 4.15Å; W416-F579 AromaticContact CD1-CE1 3.76Å; W416-F579 AromaticContact CD2-CD1 3.5Å; W416-F579 HydrophobicContact CD2-CD1 3.5Å; W416-F579 VanDerWaalsContact CD2-CD1 3.5Å; W416-F579 AromaticContact CD2-CE1 3.59Å; W416-F579 HydrophobicContact CD2-CE1 3.59Å; W416-F579 AromaticContact CE2-CD1 3.8Å; W416-F579 AromaticContact CE2-CE1 3.79Å; W416-F579 AromaticContact CE3-CD1 3.68Å; W416-F579 HydrophobicContact CE3-CD1 3.68Å; W416-F579 HydrophobicContact CE3-CE1 4.24Å; W416-F579 AromaticContact CG-CD1 3.93Å; W416-F579 HydrophobicContact CG-CD1 3.93Å; W416-F579 AromaticContact CG-CE1 3.53Å; W416-F579 HydrophobicContact CG-CE1 3.53Å; W416-F579 HydrophobicContact CG-CZ 4.49Å; W416-F579 HydrophobicContact CH2-CD1 4.34Å; W416-F579 HydrophobicContact CZ2-CD1 4.19Å; W416-F579 HydrophobicContact CZ3-CD1 4.13Å; W416-F579 AromaticContact NE1-CE1 3.92Å; A572-F579 HydrophobicContact CB-CE2 4.07Å; R576-F579 HydrophobicContact CB-CB 4.44Å; R576-F579 VanDerWaalsContact NH2-CZ 3.26Å; R576-F579 CarbonylContact O-C 3.53Å; R576-F579 WeakPolarHBondContact O-CA 3.42Å; R576-F579 WeakPolarHBondContact O-CB 3.49Å; R576-F579 PolarHBondContact O-N 3.38Å; L577-F579 PolarHBondContact O-N 2.89Å; F579-M622 HydrophobicContact CD2-SD 3.97Å; F579-M622 HydrophobicContact CE2-CE 4.1Å; F579-M622 HydrophobicContact CE2-SD 3.87Å; F579-M622 HydrophobicContact CG-SD 4.4Å; F579-M622 HydrophobicContact CZ-CE 4.01Å; F579-M622 HydrophobicContact CZ-SD 4.24Å
580L97.7Very high97.6Very high3 Ų320 Ų202%0.01610%0.095CC..Hα-helixtrans-84.6-45.8-179-60.2-179.3000112.4I336 W364 M365 Y367 L413 F549 F551 R576 L577I336-L580 WeakPolarHBondContact CG2-O 3.44Å; W364-L580 HydrophobicContact CE3-CD2 3.69Å; W364-L580 HydrophobicContact CH2-CD2 4.13Å; W364-L580 HydrophobicContact CZ3-CD2 3.45Å; W364-L580 VanDerWaalsContact CZ3-CD2 3.45Å; W364-L580 HydrophobicContact CZ3-CG 4.49Å; M365-L580 HydrophobicContact CB-CD1 3.94Å; M365-L580 HydrophobicContact CB-CD2 3.71Å; M365-L580 HydrophobicContact CB-CG 4.48Å; M365-L580 HydrophobicContact CG-CD2 4.37Å; M365-L580 HydrophobicContact SD-CD1 3.9Å; M365-L580 HydrophobicContact SD-CD2 3.96Å; M365-L580 HydrophobicContact SD-CG 4.26Å; Y367-L580 HydrophobicContact CD2-CB 4.2Å; Y367-L580 HydrophobicContact CD2-CD1 4.34Å; Y367-L580 HydrophobicContact CD2-CD2 3.92Å; Y367-L580 HydrophobicContact CD2-CG 4.38Å; Y367-L580 HydrophobicContact CE2-CB 4.12Å; Y367-L580 HydrophobicContact CE2-CD1 4.21Å; L413-L580 VanDerWaalsContact CB-O 3.28Å; L413-L580 WeakPolarHBondContact CB-O 3.46Å; F549-L580 HydrophobicContact CD1-CD1 4.27Å; F549-L580 HydrophobicContact CE1-CB 3.92Å; F549-L580 HydrophobicContact CE1-CD1 4.1Å; F551-L580 HydrophobicContact CE2-CD1 4.29Å; F551-L580 HydrophobicContact CZ-CD1 3.82Å; R576-L580 PolarHBondContact O-N 3.46Å; L577-L580 PolarHBondContact O-N 3.07Å
581N97.6Very high97.6Very high21 Ų2124.1 Ų24.111%0.11211%0.111CC..  trans-156.1112.5-179-177.1-30.5000109.9L413 F549 L577 R583 A584 A585L413-N581 HydrophobicContact CB-CB 4.38Å; F549-N581 HydrophobicContact CE1-CB 4.42Å; F549-N581 HydrophobicContact CE2-CB 4.21Å; F549-N581 HydrophobicContact CZ-CB 3.56Å; L577-N581 CarbonylContact O-C 3.55Å; L577-N581 PolarHBondContact O-N 3.46Å; L577-N581 VanDerWaalsContact O-O 3.13Å; N581-R583 VanDerWaalsContact C-N 3.31Å; N581-R583 PolarHBondContact O-N 3.4Å; N581-R583 WeakPolarHBondContact OD1-CB 3.29Å; N581-R583 PolarHBondContact OD1-N 2.98Å; N581-A584 HydrophobicContact CB-CB 4Å; N581-A584 PolarHBondContact O-N 3.17Å; N581-A584 PolarHBondContact OD1-N 3.48Å; N581-A585 PolarHBondContact O-N 3.37Å
582V96.9Very high97.6Very high4 Ų424.1 Ų24.12%0.02411%0.111CC..Hα-helixtrans-70.9-26.5-174.176.80000113L413 E586 L618 M622 L624L413-V582 WeakPolarHBondContact O-CG1 3.28Å; L413-V582 PolarHBondContact O-N 2.88Å; V582-E586 PolarHBondContact O-N 2.69Å; V582-E586 VanDerWaalsContact O-N 3.09Å; V582-L618 HydrophobicContact CG2-CB 3.87Å; V582-L618 HydrophobicContact CG2-CD2 3.8Å; V582-L618 HydrophobicContact CG2-CG 4.34Å; V582-M622 HydrophobicContact CB-CB 4.49Å; V582-M622 HydrophobicContact CG2-CB 3.65Å; V582-L624 HydrophobicContact CB-CB 4.43Å; V582-L624 HydrophobicContact CG1-CB 3.92Å; V582-L624 HydrophobicContact CG1-CD1 4Å; V582-L624 HydrophobicContact CG2-CB 3.64Å
583R94.5Very high97.7Very high110 Ų11024.2 Ų24.242%0.41511%0.111SC..Hα-helixtrans-75.4-46.2175.7-71-66.8-169.9-177.74.2111.8N581 A585 E586 E587N581-R583 VanDerWaalsContact C-N 3.31Å; N581-R583 PolarHBondContact O-N 3.4Å; N581-R583 WeakPolarHBondContact OD1-CB 3.29Å; N581-R583 PolarHBondContact OD1-N 2.98Å; R583-A585 PolarHBondContact O-N 2.65Å; R583-E586 IonicContact CZ-OE2 3.49Å; R583-E586 IonicContact NH1-OE2 3.89Å; R583-E586 PolarHBondContact NH1-OE2 3.13Å; R583-E586 WeakPolarHBondContact O-CA 3.49Å; R583-E586 WeakPolarHBondContact O-CB 3.37Å; R583-E586 PolarHBondContact O-N 3.4Å; R583-E587 WeakPolarHBondContact O-CG 3.41Å; R583-E587 PolarHBondContact O-N 3.01Å
584A96Very high97.7Very high2 Ų226.9 Ų26.92%0.01713%0.127CC..Hα-helixtrans-61.3-33.2174.200000111.7F549 L577 N581 A588F549-A584 HydrophobicContact CD2-CB 3.89Å; F549-A584 HydrophobicContact CE2-CB 3.31Å; F549-A584 HydrophobicContact CZ-CB 4.08Å; L577-A584 HydrophobicContact CD1-CB 3.96Å; N581-A584 HydrophobicContact CB-CB 4Å; N581-A584 PolarHBondContact O-N 3.17Å; N581-A584 PolarHBondContact OD1-N 3.48Å; A584-A588 VanDerWaalsContact O-CB 3.3Å; A584-A588 WeakPolarHBondContact O-CB 3.46Å; A584-A588 PolarHBondContact O-N 2.97Å
585A98Very high97.7Very high0 Ų027.5 Ų27.50%013%0.13CC..Hα-helixtrans-64.7-42.8171.300000112.8L571 L577 A578 N581 R583 L589 L618L571-A585 HydrophobicContact CD2-CB 4.14Å; L577-A585 HydrophobicContact CD2-CB 4.38Å; L577-A585 HydrophobicContact CG-CB 3.98Å; A578-A585 HydrophobicContact CB-CB 4.26Å; N581-A585 PolarHBondContact O-N 3.37Å; R583-A585 PolarHBondContact O-N 2.65Å; A585-L589 PolarHBondContact O-N 2.98Å; A585-L618 HydrophobicContact CB-CD1 4.3Å; A585-L618 HydrophobicContact CB-CD2 3.81Å
586E97.4Very high97.8Very high57 Ų5727.5 Ų27.527%0.26613%0.13SC..Hα-helixtrans-62-44.6174.9-177.3175.7-135.100111.4V582 R583 L589 L618V582-E586 PolarHBondContact O-N 2.69Å; V582-E586 VanDerWaalsContact O-N 3.09Å; R583-E586 IonicContact CZ-OE2 3.49Å; R583-E586 IonicContact NH1-OE2 3.89Å; R583-E586 PolarHBondContact NH1-OE2 3.13Å; R583-E586 WeakPolarHBondContact O-CA 3.49Å; R583-E586 WeakPolarHBondContact O-CB 3.37Å; R583-E586 PolarHBondContact O-N 3.4Å; E586-L589 WeakPolarHBondContact O-CB 3.5Å; E586-L589 PolarHBondContact O-N 3.32Å; E586-L618 HydrophobicContact CB-CD1 4.04Å
587E97.8Very high97.8Very high130 Ų13027.7 Ų27.761%0.60713%0.132SC*.Hα-helixtrans-67.2-37.6178.6-70.6177.1-151.900113.2H546 R583 L589 P590H546-E587 IonicContact CD2-OE2 2.98Å; H546-E587 IonicContact NE2-OE2 3.87Å; H546-E587 PolarHBondContact NE2-OE2 3.33Å; R583-E587 WeakPolarHBondContact O-CG 3.41Å; R583-E587 PolarHBondContact O-N 3.01Å; E587-L589 PolarHBondContact O-N 3.32Å; E587-P590 WeakPolarHBondContact O-CD 3.41Å
588A98.1Very high97.8Very high1 Ų133.9 Ų33.91%0.00816%0.161CC..Hα-helixtrans-73.9-16.8176.900000113L577 A584 R591 I592L577-A588 HydrophobicContact CD2-CB 3.91Å; A584-A588 VanDerWaalsContact O-CB 3.3Å; A584-A588 WeakPolarHBondContact O-CB 3.46Å; A584-A588 PolarHBondContact O-N 2.97Å; A588-R591 PolarHBondContact O-N 3.04Å; A588-I592 HydrophobicContact CB-CD1 3.86Å; A588-I592 WeakPolarHBondContact O-CG1 2.99Å; A588-I592 PolarHBondContact O-N 2.94Å; A588-I592 VanDerWaalsContact O-N 3.15Å
589L98.1Very high97.8Very high2 Ų237.3 Ų37.31%0.0118%0.177CC..Hα-helixtrans-57.3-48.1-168.6-174.663.9000114V567 L571 A585 E586 E587 R591 I592 V593 M611 A614 E615V567-L589 HydrophobicContact CB-CD1 4.45Å; V567-L589 HydrophobicContact CG1-CD1 3.35Å; L571-L589 HydrophobicContact CD1-CD1 3.72Å; A585-L589 PolarHBondContact O-N 2.98Å; E586-L589 WeakPolarHBondContact O-CB 3.5Å; E586-L589 PolarHBondContact O-N 3.32Å; E587-L589 PolarHBondContact O-N 3.32Å; L589-R591 VanDerWaalsContact C-N 3.29Å; L589-R591 PolarHBondContact O-N 3.41Å; L589-I592 PolarHBondContact O-N 3.38Å; L589-V593 HydrophobicContact CD1-CG2 4.24Å; L589-V593 HydrophobicContact CG-CG2 4.34Å; L589-V593 VanDerWaalsContact O-CG2 3.3Å; L589-V593 WeakPolarHBondContact O-CG2 3.39Å; L589-V593 PolarHBondContact O-N 2.95Å; L589-M611 HydrophobicContact CB-SD 4.32Å; L589-M611 HydrophobicContact CD2-CG 4.4Å; L589-M611 HydrophobicContact CD2-SD 3.34Å; L589-M611 WeakPolarHBondContact CD2-SD 3.48Å; L589-M611 HydrophobicContact CG-SD 3.49Å; L589-M611 WeakPolarHBondContact CG-SD 3.2Å; L589-A614 HydrophobicContact CD1-CB 3.44Å; L589-A614 VanDerWaalsContact CD1-CB 3.44Å; L589-A614 HydrophobicContact CD2-CB 3.92Å; L589-A614 HydrophobicContact CG-CB 4.32Å; L589-E615 HydrophobicContact CD2-CG 3.91Å
590P98.4Very high97.7Very high63 Ų6340.1 Ų40.141%0.40919%0.192SC..Hα-helixtrans-59.3-41.1-179.2-2233.3000112.7E587 I592 V593 D594 M611E587-P590 WeakPolarHBondContact O-CD 3.41Å; P590-I592 PolarHBondContact O-N 3.39Å; P590-V593 PolarHBondContact O-N 3.3Å; P590-D594 PolarHBondContact O-N 3.1Å; P590-M611 HydrophobicContact CB-CE 3.99Å; P590-M611 HydrophobicContact CG-CE 4Å
591R98.3Very high97.7Very high87 Ų8749 Ų4933%0.32823%0.23SC..Hα-helixtrans-68-38.6-179.5-17555.8178.7158.85.6111.7L545 E553 A588 L589 D594 L595L545-R591 HydrophobicContact CD2-CG 4.1Å; E553-R591 VanDerWaalsContact CD-NH2 3.27Å; E553-R591 IonicContact OE1-CZ 2.72Å; E553-R591 IonicContact OE1-NE 2.71Å; E553-R591 PolarHBondContact OE1-NE 2.95Å; E553-R591 IonicContact OE1-NH2 2.72Å; E553-R591 PolarHBondContact OE1-NH2 3.5Å; E553-R591 VanDerWaalsContact OE1-NH2 3.11Å; E553-R591 IonicContact OE2-CZ 2.65Å; E553-R591 IonicContact OE2-NE 3.82Å; E553-R591 IonicContact OE2-NH2 3.65Å; E553-R591 PolarHBondContact OE2-NH2 3.12Å; A588-R591 PolarHBondContact O-N 3.04Å; L589-R591 VanDerWaalsContact C-N 3.29Å; L589-R591 PolarHBondContact O-N 3.41Å; R591-D594 PolarHBondContact O-N 3.35Å; R591-L595 HydrophobicContact CG-CD1 4.13Å; R591-L595 WeakPolarHBondContact O-CG 3.44Å; R591-L595 PolarHBondContact O-N 2.96Å; R591-L595 VanDerWaalsContact O-N 3.1Å
592I98.6Very high97.7Very high0 Ų049.9 Ų49.90%023%0.232CC..Hα-helixtrans-66.4-45.2177.1-63.5163.4000110.6L545 V556 V567 F570 L571 A588 L589 P590 D594 L595 M596L545-I592 HydrophobicContact CD1-CD1 4.4Å; L545-I592 HydrophobicContact CD1-CG1 4.14Å; L545-I592 HydrophobicContact CD2-CG1 3.89Å; V556-I592 HydrophobicContact CG1-CG2 4.46Å; V567-I592 HydrophobicContact CG1-CB 4.4Å; V567-I592 HydrophobicContact CG1-CG2 3.76Å; F570-I592 HydrophobicContact CD1-CD1 3.93Å; F570-I592 HydrophobicContact CD1-CG1 4.18Å; F570-I592 HydrophobicContact CD1-CG2 3.69Å; F570-I592 HydrophobicContact CE1-CD1 3.89Å; F570-I592 HydrophobicContact CE1-CG1 4.05Å; F570-I592 HydrophobicContact CE1-CG2 4.31Å; F570-I592 HydrophobicContact CG-CG2 4.38Å; L571-I592 HydrophobicContact CD2-CD1 3.43Å; L571-I592 VanDerWaalsContact CD2-CD1 3.43Å; L571-I592 HydrophobicContact CG-CD1 4Å; A588-I592 HydrophobicContact CB-CD1 3.86Å; A588-I592 WeakPolarHBondContact O-CG1 2.99Å; A588-I592 PolarHBondContact O-N 2.94Å; A588-I592 VanDerWaalsContact O-N 3.15Å; L589-I592 PolarHBondContact O-N 3.38Å; P590-I592 PolarHBondContact O-N 3.39Å; I592-D594 PolarHBondContact O-N 3.42Å; I592-L595 PolarHBondContact O-N 2.79Å; I592-M596 HydrophobicContact CG2-CG 4.24Å; I592-M596 HydrophobicContact CG2-SD 4.08Å; I592-M596 WeakPolarHBondContact O-CB 3.21Å; I592-M596 WeakPolarHBondContact O-CG 3.23Å; I592-M596 PolarHBondContact O-N 2.78Å
593V98.7Very high97.7Very high4 Ų454.8 Ų54.82%0.02426%0.258CS..Hα-helixtrans-56.2-41.6175.6170.90000110.9V567 L589 P590 G597 K607 M611V567-V593 HydrophobicContact CG1-CG2 4.48Å; V567-V593 HydrophobicContact CG2-CG2 3.82Å; L589-V593 HydrophobicContact CD1-CG2 4.24Å; L589-V593 HydrophobicContact CG-CG2 4.34Å; L589-V593 VanDerWaalsContact O-CG2 3.3Å; L589-V593 WeakPolarHBondContact O-CG2 3.39Å; L589-V593 PolarHBondContact O-N 2.95Å; P590-V593 PolarHBondContact O-N 3.3Å; V593-G597 WeakPolarHBondContact O-CA 3.34Å; V593-G597 PolarHBondContact O-N 2.89Å; V593-K607 HydrophobicContact CG1-CB 3.71Å; V593-K607 HydrophobicContact CG1-CD 4.31Å; V593-K607 HydrophobicContact CG1-CG 3.85Å; V593-M611 HydrophobicContact CG2-CE 4.28Å; V593-M611 HydrophobicContact CG2-SD 4.38Å
594D98.4Very high97.9Very high71 Ų7153.9 Ų53.938%0.3827%0.269SS..Hα-helixtrans-66.5-46.2178.9-83.2-27.4000113.1P590 R591 I592 G597 E598 K607P590-D594 PolarHBondContact O-N 3.1Å; R591-D594 PolarHBondContact O-N 3.35Å; I592-D594 PolarHBondContact O-N 3.42Å; D594-G597 PolarHBondContact O-N 3.16Å; D594-E598 WeakPolarHBondContact O-CB 3.37Å; D594-E598 PolarHBondContact O-N 2.85Å; D594-K607 IonicContact OD1-NZ 3.07Å; D594-K607 PolarHBondContact OD1-NZ 3.45Å
595L98.4Very high98Very high18 Ų1858.5 Ų58.59%0.09429%0.29CS..Hα-helixtrans-66.3-46.9179.9-70.7167.8000112L545 E553 V556 R591 I592 G597 E598 H599L545-L595 HydrophobicContact CD2-CD1 3.95Å; E553-L595 HydrophobicContact CB-CD1 3.69Å; E553-L595 HydrophobicContact CG-CD1 3.72Å; V556-L595 HydrophobicContact CB-CB 4.21Å; V556-L595 HydrophobicContact CB-CD1 4.36Å; V556-L595 HydrophobicContact CG1-CB 3.79Å; V556-L595 HydrophobicContact CG2-CD1 4Å; R591-L595 HydrophobicContact CG-CD1 4.13Å; R591-L595 WeakPolarHBondContact O-CG 3.44Å; R591-L595 PolarHBondContact O-N 2.96Å; R591-L595 VanDerWaalsContact O-N 3.1Å; I592-L595 PolarHBondContact O-N 2.79Å; L595-G597 VanDerWaalsContact C-N 3.32Å; L595-E598 PolarHBondContact O-N 3.32Å; L595-H599 PolarHBondContact O-N 3Å
596M98.6Very high98Very high1 Ų161 Ų611%0.00530%0.299CS..Hα-helixtrans-63.8-41.2174.8-70-168.871.300111V556 A564 H566 V567 F570 I592 E598 H599 L600 W602V556-M596 HydrophobicContact CG1-CB 4.38Å; V556-M596 HydrophobicContact CG1-CG 3.3Å; V556-M596 HydrophobicContact CG1-SD 4.45Å; A564-M596 HydrophobicContact CB-CE 4.34Å; H566-M596 WeakPolarHBondContact O-CE 3.38Å; V567-M596 HydrophobicContact CB-SD 4.34Å; V567-M596 HydrophobicContact CG2-SD 3.92Å; F570-M596 HydrophobicContact CB-SD 4.17Å; I592-M596 HydrophobicContact CG2-CG 4.24Å; I592-M596 HydrophobicContact CG2-SD 4.08Å; I592-M596 WeakPolarHBondContact O-CB 3.21Å; I592-M596 WeakPolarHBondContact O-CG 3.23Å; I592-M596 PolarHBondContact O-N 2.78Å; M596-E598 VanDerWaalsContact C-N 3.33Å; M596-E598 PolarHBondContact O-N 3.17Å; M596-H599 PolarHBondContact O-N 3.3Å; M596-L600 HydrophobicContact CE-CD1 3.93Å; M596-L600 VanDerWaalsContact O-CB 3.29Å; M596-L600 WeakPolarHBondContact O-CB 3.43Å; M596-L600 PolarHBondContact O-N 3.48Å; M596-W602 HydrophobicContact CB-CE3 4.37Å; M596-W602 HydrophobicContact CB-CH2 3.61Å; M596-W602 HydrophobicContact CB-CZ2 4.33Å; M596-W602 HydrophobicContact CB-CZ3 3.62Å; M596-W602 HydrophobicContact CE-CH2 3.95Å; M596-W602 HydrophobicContact CE-CZ2 4.29Å; M596-W602 HydrophobicContact CG-CH2 4.49Å; M596-W602 HydrophobicContact SD-CH2 4.2Å
597G98.3Very high98.1Very high4 Ų460.8 Ų60.84%0.04130%0.298CS..Hα-helixtrans-66.4-32.7178.900000113.5V593 D594 L595 K601 W602V593-G597 WeakPolarHBondContact O-CA 3.34Å; V593-G597 PolarHBondContact O-N 2.89Å; D594-G597 PolarHBondContact O-N 3.16Å; L595-G597 VanDerWaalsContact C-N 3.32Å; G597-K601 CarbonylContact O-C 3.55Å; G597-K601 WeakPolarHBondContact O-CA 3.16Å; G597-K601 PolarHBondContact O-N 2.92Å; G597-W602 VanDerWaalsContact CA-CE3 3.44Å; G597-W602 PolarHBondContact O-N 3.04Å
598E97.7Very high98.1Very high131 Ų13160.5 Ų60.561%0.61229%0.294SS*.Hα-helixtrans-66-50.3170.5-174.9-178.1161.100110.7D594 L595 M596 K601D594-E598 WeakPolarHBondContact O-CB 3.37Å; D594-E598 PolarHBondContact O-N 2.85Å; L595-E598 PolarHBondContact O-N 3.32Å; M596-E598 VanDerWaalsContact C-N 3.33Å; M596-E598 PolarHBondContact O-N 3.17Å; E598-K601 PolarHBondContact O-N 3.25Å
599H97.1Very high98.1Very high73 Ų7363.7 Ų63.734%0.33831%0.309SS..Hα-helixtrans-68-44.9-175.5-169.675.9000113.3E557 C560 L595 M596 K601E557-H599 WeakPolarHBondContact CG-ND1 3.48Å; C560-H599 WeakPolarHBondContact CB-CD2 3.47Å; L595-H599 PolarHBondContact O-N 3Å; M596-H599 PolarHBondContact O-N 3.3Å; H599-K601 VanDerWaalsContact C-N 3.32Å
600L97.3Very high98.1Very high61 Ų6163.6 Ų63.632%0.31931%0.309SS..THydrogen-bonded Turntrans-89.74.3179.9-59.9175.7000113C560 M596 W602C560-L600 HydrophobicContact CB-CD2 4.18Å; M596-L600 HydrophobicContact CE-CD1 3.93Å; M596-L600 VanDerWaalsContact O-CB 3.29Å; M596-L600 WeakPolarHBondContact O-CB 3.43Å; M596-L600 PolarHBondContact O-N 3.48Å; L600-W602 HydrophobicContact CB-CZ2 4.48Å; L600-W602 HydrophobicContact CD1-CH2 4.37Å; L600-W602 HydrophobicContact CD1-CZ2 3.52Å; L600-W602 PolarHBondContact O-N 3.39Å
601K97.4Very high98.1Very high190 Ų19062.9 Ų62.983%0.82630%0.3SS*.THydrogen-bonded Turntrans57.243.6176.6-54.1177.8-178.1176.20113.7G597 E598 H599G597-K601 CarbonylContact O-C 3.55Å; G597-K601 WeakPolarHBondContact O-CA 3.16Å; G597-K601 PolarHBondContact O-N 2.92Å; E598-K601 PolarHBondContact O-N 3.25Å; H599-K601 VanDerWaalsContact C-N 3.32Å
602W97.9Very high98.1Very high38 Ų3865.1 Ų65.114%0.14431%0.309CS..  trans-70.8136.8176.3-64.7-15.4000112.1C565 V567 M596 G597 L600 R606 K607 E610C565-W602 WeakPolarHBondContact O-CZ2 3.24Å; V567-W602 HydrophobicContact CG2-CH2 3.82Å; V567-W602 HydrophobicContact CG2-CZ3 3.79Å; M596-W602 HydrophobicContact CB-CE3 4.37Å; M596-W602 HydrophobicContact CB-CH2 3.61Å; M596-W602 HydrophobicContact CB-CZ2 4.33Å; M596-W602 HydrophobicContact CB-CZ3 3.62Å; M596-W602 HydrophobicContact CE-CH2 3.95Å; M596-W602 HydrophobicContact CE-CZ2 4.29Å; M596-W602 HydrophobicContact CG-CH2 4.49Å; M596-W602 HydrophobicContact SD-CH2 4.2Å; G597-W602 VanDerWaalsContact CA-CE3 3.44Å; G597-W602 PolarHBondContact O-N 3.04Å; L600-W602 HydrophobicContact CB-CZ2 4.48Å; L600-W602 HydrophobicContact CD1-CH2 4.37Å; L600-W602 HydrophobicContact CD1-CZ2 3.52Å; L600-W602 PolarHBondContact O-N 3.39Å; W602-R606 HydrophobicContact CB-CB 3.99Å; W602-R606 HydrophobicContact CB-CG 3.85Å; W602-R606 HydrophobicContact CD2-CG 3.85Å; W602-R606 HydrophobicContact CG-CB 4.21Å; W602-R606 HydrophobicContact CG-CG 3.51Å; W602-K607 HydrophobicContact CB-CG 4.17Å; W602-K607 HydrophobicContact CE3-CG 4.39Å; W602-E610 HydrophobicContact CD2-CG 4.42Å; W602-E610 HydrophobicContact CE3-CG 3.95Å; W602-E610 HydrophobicContact CH2-CB 4.42Å; W602-E610 HydrophobicContact CH2-CG 3.65Å; W602-E610 HydrophobicContact CZ2-CG 4.13Å; W602-E610 HydrophobicContact CZ3-CB 4.03Å; W602-E610 HydrophobicContact CZ3-CG 3.56Å
603N97.6Very high98.1Very high107 Ų10768.7 Ų68.757%0.57233%0.326SS*.  trans-75.2171.1167.367.232000111.1E605 R606 K607N603-E605 VanDerWaalsContact C-N 3.26Å; N603-E605 PolarHBondContact O-N 3Å; N603-E605 PolarHBondContact OD1-N 2.82Å; N603-E605 VanDerWaalsContact OD1-N 3.15Å; N603-R606 PolarHBondContact O-N 3.32Å; N603-R606 PolarHBondContact OD1-N 3.32Å; N603-K607 PolarHBondContact O-N 2.82Å
604S98Very high98.1Very high92 Ų9268.5 Ų68.564%0.64332%0.324SS*.Hα-helixtrans-60.3-32.2-178.3-53.20000113.7K608S604-K608 WeakPolarHBondContact O-CG 3.48Å; S604-K608 PolarHBondContact O-N 3.02Å; S604-K608 VanDerWaalsContact O-N 3.15Å
605E98Very high98Very high99 Ų9968.2 Ų68.246%0.46332%0.321SS..Hα-helixtrans-71.7-42.5178-173.254.6-144.400111.3N603 K607 K608 Q609 R612N603-E605 VanDerWaalsContact C-N 3.26Å; N603-E605 PolarHBondContact O-N 3Å; N603-E605 PolarHBondContact OD1-N 2.82Å; N603-E605 VanDerWaalsContact OD1-N 3.15Å; E605-K607 VanDerWaalsContact C-N 3.34Å; E605-K607 PolarHBondContact O-N 2.81Å; E605-K608 WeakPolarHBondContact O-CB 3.43Å; E605-K608 PolarHBondContact O-N 2.71Å; E605-Q609 PolarHBondContact O-N 2.92Å; E605-R612 IonicContact OE1-NH2 2.77Å; E605-R612 PolarHBondContact OE1-NH2 3.33Å; E605-R612 VanDerWaalsContact OE1-NH2 3.07Å
606R97.9Very high98Very high52 Ų5271.2 Ų71.220%0.19634%0.337CS..Hα-helixtrans-62.1-41.9175-179.958.3178.4-138.6-0.9111.3H566 W602 N603 K608 Q609 E610H566-R606 PolarHBondContact CE1-NH2 3.02Å; H566-R606 PolarHBondContact ND1-NH2 3.35Å; H566-R606 PolarHBondContact NE2-NH2 2.82Å; W602-R606 HydrophobicContact CB-CB 3.99Å; W602-R606 HydrophobicContact CB-CG 3.85Å; W602-R606 HydrophobicContact CD2-CG 3.85Å; W602-R606 HydrophobicContact CG-CB 4.21Å; W602-R606 HydrophobicContact CG-CG 3.51Å; N603-R606 PolarHBondContact O-N 3.32Å; N603-R606 PolarHBondContact OD1-N 3.32Å; R606-K608 VanDerWaalsContact C-N 3.32Å; R606-K608 PolarHBondContact O-N 3.38Å; R606-Q609 WeakPolarHBondContact O-CB 3.32Å; R606-Q609 PolarHBondContact O-N 3.21Å; R606-E610 HydrophobicContact CG-CG 4.34Å; R606-E610 IonicContact CZ-OE1 2.78Å; R606-E610 IonicContact NE-OE1 3.07Å; R606-E610 PolarHBondContact NE-OE1 3.46Å; R606-E610 IonicContact NH2-OE1 3.52Å; R606-E610 PolarHBondContact NH2-OE1 3.17Å; R606-E610 VanDerWaalsContact O-CG 3.28Å; R606-E610 WeakPolarHBondContact O-CG 3.44Å; R606-E610 PolarHBondContact O-N 3.1Å
607K98.6Very high98Very high52 Ų5271.7 Ų71.723%0.22634%0.339CS..Hα-helixtrans-57.3-43.4173.5-74.2-172170.8-166.20112.4V593 D594 W602 N603 E605 E610 M611V593-K607 HydrophobicContact CG1-CB 3.71Å; V593-K607 HydrophobicContact CG1-CD 4.31Å; V593-K607 HydrophobicContact CG1-CG 3.85Å; D594-K607 IonicContact OD1-NZ 3.07Å; D594-K607 PolarHBondContact OD1-NZ 3.45Å; W602-K607 HydrophobicContact CB-CG 4.17Å; W602-K607 HydrophobicContact CE3-CG 4.39Å; N603-K607 PolarHBondContact O-N 2.82Å; E605-K607 VanDerWaalsContact C-N 3.34Å; E605-K607 PolarHBondContact O-N 2.81Å; K607-E610 PolarHBondContact O-N 3.48Å; K607-M611 WeakPolarHBondContact O-CB 3.49Å; K607-M611 PolarHBondContact O-N 3.41Å
608K98.3Very high97.9Very high125 Ų12571.5 Ų71.554%0.54334%0.337SS..Hα-helixtrans-65.7-40175.6-72.4175.3-177.6178.70112.4S604 E605 R606 M611 R612S604-K608 WeakPolarHBondContact O-CG 3.48Å; S604-K608 PolarHBondContact O-N 3.02Å; S604-K608 VanDerWaalsContact O-N 3.15Å; E605-K608 WeakPolarHBondContact O-CB 3.43Å; E605-K608 PolarHBondContact O-N 2.71Å; R606-K608 VanDerWaalsContact C-N 3.32Å; R606-K608 PolarHBondContact O-N 3.38Å; K608-M611 PolarHBondContact O-N 2.88Å; K608-R612 WeakPolarHBondContact O-CG 3.09Å; K608-R612 PolarHBondContact O-N 3.18Å
609Q98.3Very high97.8Very high67 Ų6769.7 Ų69.731%0.31333%0.327SS..Hα-helixtrans-61.4-49.2175.6-179.9-179.51.900111.2E605 R606 M611 R612 E613E605-Q609 PolarHBondContact O-N 2.92Å; R606-Q609 WeakPolarHBondContact O-CB 3.32Å; R606-Q609 PolarHBondContact O-N 3.21Å; Q609-M611 VanDerWaalsContact C-N 3.32Å; Q609-M611 PolarHBondContact O-N 3.02Å; Q609-R612 PolarHBondContact O-N 3.44Å; Q609-E613 HydrophobicContact CG-CG 4.35Å; Q609-E613 VanDerWaalsContact CG-OE1 3.27Å; Q609-E613 WeakPolarHBondContact CG-OE1 3.32Å; Q609-E613 PolarHBondContact NE2-OE1 2.88Å; Q609-E613 WeakPolarHBondContact O-CB 3.28Å; Q609-E613 WeakPolarHBondContact O-CG 3.31Å; Q609-E613 PolarHBondContact O-N 3.39Å
610E98.5Very high97.7Very high1 Ų167.8 Ų67.81%0.00532%0.322CS..Hα-helixtrans-60.2-41.1178.3-70.5-74.5163.500112.1H566 V567 W602 R606 K607 A614H566-E610 WeakPolarHBondContact CA-OE2 3.31Å; H566-E610 IonicContact CE1-OE1 3.58Å; H566-E610 IonicContact CG-OE1 3.17Å; H566-E610 IonicContact CG-OE2 2.72Å; H566-E610 IonicContact ND1-OE1 2.96Å; H566-E610 PolarHBondContact ND1-OE1 3.49Å; H566-E610 IonicContact ND1-OE2 3.27Å; V567-E610 HydrophobicContact CG2-CB 3.93Å; V567-E610 HydrophobicContact CG2-CG 4.46Å; V567-E610 PolarHBondContact N-OE2 3.29Å; W602-E610 HydrophobicContact CD2-CG 4.42Å; W602-E610 HydrophobicContact CE3-CG 3.95Å; W602-E610 HydrophobicContact CH2-CB 4.42Å; W602-E610 HydrophobicContact CH2-CG 3.65Å; W602-E610 HydrophobicContact CZ2-CG 4.13Å; W602-E610 HydrophobicContact CZ3-CB 4.03Å; W602-E610 HydrophobicContact CZ3-CG 3.56Å; R606-E610 HydrophobicContact CG-CG 4.34Å; R606-E610 IonicContact CZ-OE1 2.78Å; R606-E610 IonicContact NE-OE1 3.07Å; R606-E610 PolarHBondContact NE-OE1 3.46Å; R606-E610 IonicContact NH2-OE1 3.52Å; R606-E610 PolarHBondContact NH2-OE1 3.17Å; R606-E610 VanDerWaalsContact O-CG 3.28Å; R606-E610 WeakPolarHBondContact O-CG 3.44Å; R606-E610 PolarHBondContact O-N 3.1Å; K607-E610 PolarHBondContact O-N 3.48Å; E610-A614 WeakPolarHBondContact O-CB 3.4Å; E610-A614 PolarHBondContact O-N 2.99Å
611M98.3Very high97.7Very high48 Ų4865.6 Ų65.624%0.23631%0.31CS..Hα-helixtrans-57.5-52.9172.8-173.173.881.100111.2L589 P590 V593 K607 K608 Q609 E613 A614 E615L589-M611 HydrophobicContact CB-SD 4.32Å; L589-M611 HydrophobicContact CD2-CG 4.4Å; L589-M611 HydrophobicContact CD2-SD 3.34Å; L589-M611 WeakPolarHBondContact CD2-SD 3.48Å; L589-M611 HydrophobicContact CG-SD 3.49Å; L589-M611 WeakPolarHBondContact CG-SD 3.2Å; P590-M611 HydrophobicContact CB-CE 3.99Å; P590-M611 HydrophobicContact CG-CE 4Å; V593-M611 HydrophobicContact CG2-CE 4.28Å; V593-M611 HydrophobicContact CG2-SD 4.38Å; K607-M611 WeakPolarHBondContact O-CB 3.49Å; K607-M611 PolarHBondContact O-N 3.41Å; K608-M611 PolarHBondContact O-N 2.88Å; Q609-M611 VanDerWaalsContact C-N 3.32Å; Q609-M611 PolarHBondContact O-N 3.02Å; M611-E613 PolarHBondContact O-N 3.48Å; M611-A614 PolarHBondContact O-N 3.3Å; M611-E615 WeakPolarHBondContact CG-OE1 3.41Å; M611-E615 WeakPolarHBondContact O-CB 3.29Å; M611-E615 WeakPolarHBondContact O-CG 3.41Å; M611-E615 PolarHBondContact O-N 3.16Å
612R98.3Very high97.7Very high134 Ų13456.6 Ų56.651%0.50627%0.271SS..Hα-helixtrans-61.1-44.2-179.5-72.3-174.9-62.9-125.6-2112.6E605 K608 Q609 N616E605-R612 IonicContact OE1-NH2 2.77Å; E605-R612 PolarHBondContact OE1-NH2 3.33Å; E605-R612 VanDerWaalsContact OE1-NH2 3.07Å; K608-R612 WeakPolarHBondContact O-CG 3.09Å; K608-R612 PolarHBondContact O-N 3.18Å; Q609-R612 PolarHBondContact O-N 3.44Å; R612-N616 WeakPolarHBondContact O-CB 3.43Å; R612-N616 PolarHBondContact O-N 3.36Å
613E97.9Very high97.5Very high75 Ų7555 Ų5535%0.3527%0.267SS..Hα-helixtrans-66.3-41.7-180-73.6176.3-173.100111.4H566 Q609 M611 N616 F617H566-E613 IonicContact CE1-OE2 3.82Å; H566-E613 IonicContact ND1-OE2 3.83Å; Q609-E613 HydrophobicContact CG-CG 4.35Å; Q609-E613 VanDerWaalsContact CG-OE1 3.27Å; Q609-E613 WeakPolarHBondContact CG-OE1 3.32Å; Q609-E613 PolarHBondContact NE2-OE1 2.88Å; Q609-E613 WeakPolarHBondContact O-CB 3.28Å; Q609-E613 WeakPolarHBondContact O-CG 3.31Å; Q609-E613 PolarHBondContact O-N 3.39Å; M611-E613 PolarHBondContact O-N 3.48Å; E613-N616 PolarHBondContact O-N 3.46Å; E613-F617 WeakPolarHBondContact O-CB 3.48Å; E613-F617 PolarHBondContact O-N 3.24Å
614A98.3Very high97.2Very high0 Ų050.5 Ų50.50%024%0.242CC..Hα-helixtrans-66.7-43.7175.900000112.1V567 V568 L589 E610 M611 N616 F617 L618V567-A614 HydrophobicContact CB-CB 4.41Å; V567-A614 HydrophobicContact CG1-CB 4.27Å; V568-A614 HydrophobicContact CG2-CB 4.18Å; L589-A614 HydrophobicContact CD1-CB 3.44Å; L589-A614 VanDerWaalsContact CD1-CB 3.44Å; L589-A614 HydrophobicContact CD2-CB 3.92Å; L589-A614 HydrophobicContact CG-CB 4.32Å; E610-A614 WeakPolarHBondContact O-CB 3.4Å; E610-A614 PolarHBondContact O-N 2.99Å; M611-A614 PolarHBondContact O-N 3.3Å; A614-N616 VanDerWaalsContact C-N 3.31Å; A614-N616 PolarHBondContact O-N 2.93Å; A614-F617 WeakPolarHBondContact O-CB 3.31Å; A614-F617 PolarHBondContact O-N 3.35Å; A614-L618 VanDerWaalsContact O-CG 3.29Å; A614-L618 WeakPolarHBondContact O-CG 3.5Å; A614-L618 PolarHBondContact O-N 3.3Å
615E97.9Very high96.7Very high64 Ų6447.2 Ų47.230%0.29922%0.224SC..Hα-helixtrans-58.7-42.7173.5-76.8177.2-16000111.9L589 M611 L618 K619L589-E615 HydrophobicContact CD2-CG 3.91Å; M611-E615 WeakPolarHBondContact CG-OE1 3.41Å; M611-E615 WeakPolarHBondContact O-CB 3.29Å; M611-E615 WeakPolarHBondContact O-CG 3.41Å; M611-E615 PolarHBondContact O-N 3.16Å; E615-L618 PolarHBondContact O-N 2.65Å; E615-K619 WeakPolarHBondContact O-CB 3.22Å; E615-K619 VanDerWaalsContact O-CG 3.26Å; E615-K619 WeakPolarHBondContact O-CG 3.21Å; E615-K619 PolarHBondContact O-N 3.19Å; E615-K619 IonicContact OE2-NZ 2.8Å
616N97.5Very high95.9Very high82 Ų8244.6 Ų44.644%0.43921%0.212SC..Hα-helixtrans-62.8-46.2176.5-174.964.4000111.2R612 E613 A614 L618 K619 S620R612-N616 WeakPolarHBondContact O-CB 3.43Å; R612-N616 PolarHBondContact O-N 3.36Å; E613-N616 PolarHBondContact O-N 3.46Å; A614-N616 VanDerWaalsContact C-N 3.31Å; A614-N616 PolarHBondContact O-N 2.93Å; N616-L618 VanDerWaalsContact C-N 3.33Å; N616-L618 PolarHBondContact O-N 3.35Å; N616-K619 PolarHBondContact O-N 3.07Å; N616-K619 VanDerWaalsContact O-N 3.16Å; N616-S620 PolarHBondContact O-N 2.52Å; N616-S620 PolarHBondContact O-OG 3.11Å
617F98Very high94.2Very high10 Ų1046.6 Ų46.64%0.04422%0.22CC..Hα-helixtrans-56.6-44.8174.8167.7-97.9000112.3V568 A572 A578 E613 A614 K619 E621 M622V568-F617 HydrophobicContact CG1-CD1 3.85Å; V568-F617 HydrophobicContact CG1-CD2 3.76Å; V568-F617 HydrophobicContact CG1-CE1 3.9Å; V568-F617 HydrophobicContact CG1-CE2 3.83Å; V568-F617 HydrophobicContact CG1-CG 3.78Å; V568-F617 HydrophobicContact CG1-CZ 3.9Å; V568-F617 HydrophobicContact CG2-CB 3.87Å; V568-F617 HydrophobicContact CG2-CD1 4.04Å; V568-F617 HydrophobicContact CG2-CG 3.9Å; A572-F617 HydrophobicContact CB-CE1 3.98Å; A572-F617 HydrophobicContact CB-CZ 3.64Å; A578-F617 HydrophobicContact CB-CE1 3.91Å; E613-F617 WeakPolarHBondContact O-CB 3.48Å; E613-F617 PolarHBondContact O-N 3.24Å; A614-F617 WeakPolarHBondContact O-CB 3.31Å; A614-F617 PolarHBondContact O-N 3.35Å; F617-K619 VanDerWaalsContact C-N 3.35Å; F617-E621 HydrophobicContact CD2-CB 3.92Å; F617-E621 HydrophobicContact CD2-CG 4.17Å; F617-E621 WeakPolarHBondContact CD2-OE1 3.45Å; F617-E621 HydrophobicContact CE2-CB 3.94Å; F617-E621 WeakPolarHBondContact O-CB 3.36Å; F617-E621 PolarHBondContact O-N 3Å; F617-M622 HydrophobicContact CD1-CG 4Å; F617-M622 HydrophobicContact CE1-CE 4.16Å; F617-M622 HydrophobicContact CE1-CG 3.4Å; F617-M622 VanDerWaalsContact CE1-CG 3.4Å; F617-M622 HydrophobicContact CE1-SD 3.9Å; F617-M622 HydrophobicContact CE2-CE 3.62Å; F617-M622 HydrophobicContact CE2-CG 4.32Å; F617-M622 HydrophobicContact CE2-SD 4.44Å; F617-M622 HydrophobicContact CZ-CE 3.3Å; F617-M622 HydrophobicContact CZ-CG 3.59Å; F617-M622 HydrophobicContact CZ-SD 3.58Å; F617-M622 VanDerWaalsContact CZ-SD 3.58Å; F617-M622 PolarHBondContact O-N 2.89Å
618L97.6Very high91.8Very high0 Ų049.4 Ų49.40%024%0.241CC..Hα-helixtrans-62.9-43.6176.9-65.9176.7000110.9A578 V582 A585 E586 A614 E615 N616 M622 G623 L624A578-L618 HydrophobicContact CB-CD2 3.78Å; V582-L618 HydrophobicContact CG2-CB 3.87Å; V582-L618 HydrophobicContact CG2-CD2 3.8Å; V582-L618 HydrophobicContact CG2-CG 4.34Å; A585-L618 HydrophobicContact CB-CD1 4.3Å; A585-L618 HydrophobicContact CB-CD2 3.81Å; E586-L618 HydrophobicContact CB-CD1 4.04Å; A614-L618 VanDerWaalsContact O-CG 3.29Å; A614-L618 WeakPolarHBondContact O-CG 3.5Å; A614-L618 PolarHBondContact O-N 3.3Å; E615-L618 PolarHBondContact O-N 2.65Å; N616-L618 VanDerWaalsContact C-N 3.33Å; N616-L618 PolarHBondContact O-N 3.35Å; L618-M622 HydrophobicContact CD2-CB 4.47Å; L618-M622 HydrophobicContact CD2-CG 4.33Å; L618-M622 CarbonylContact O-C 3.28Å; L618-M622 PolarHBondContact O-N 3.49Å; L618-G623 PolarHBondContact O-N 3.48Å; L618-L624 HydrophobicContact CB-CB 4.48Å; L618-L624 HydrophobicContact CB-CD2 3.95Å; L618-L624 WeakPolarHBondContact O-CB 3.43Å; L618-L624 PolarHBondContact O-N 2.95Å; L618-L624 VanDerWaalsContact O-N 3.08Å
619K95.6Very high89.1Confident94 Ų9448.9 Ų48.941%0.40924%0.242SC..Hα-helixtrans-63.7-52.7179.6-75.5170.5-176.9164.50112.9E615 N616 F617 L624 G625E615-K619 WeakPolarHBondContact O-CB 3.22Å; E615-K619 VanDerWaalsContact O-CG 3.26Å; E615-K619 WeakPolarHBondContact O-CG 3.21Å; E615-K619 PolarHBondContact O-N 3.19Å; E615-K619 IonicContact OE2-NZ 2.8Å; N616-K619 PolarHBondContact O-N 3.07Å; N616-K619 VanDerWaalsContact O-N 3.16Å; F617-K619 VanDerWaalsContact C-N 3.35Å; K619-L624 HydrophobicContact CG-CD2 4.02Å; K619-L624 HydrophobicContact CG-CG 4.33Å; K619-G625 VanDerWaalsContact O-CA 3.27Å; K619-G625 WeakPolarHBondContact O-CA 3.44Å; K619-G625 PolarHBondContact O-N 2.85Å
620S94.8Very high86.2Confident32 Ų3253.5 Ų53.522%0.22426%0.264CS..Hα-helixtrans-84.3-54.3-174.455.40000112.4S384 N616S384-S620 VanDerWaalsContact CB-O 3.28Å; S384-S620 WeakPolarHBondContact CB-O 3.21Å; S384-S620 PolarHBondContact OG-O 2.68Å; N616-S620 PolarHBondContact O-N 2.52Å; N616-S620 PolarHBondContact O-OG 3.11Å
621E97.2Very high83.2Confident15 Ų1557.1 Ų57.17%0.0730%0.301CS..THydrogen-bonded Turntrans-90-24.3-165.4-58.6-170.9-116.700113.6R115 Q382 W416 F617R115-E621 IonicContact CZ-OE2 3.8Å; R115-E621 VanDerWaalsContact CZ-OE2 3.31Å; R115-E621 IonicContact NH1-OE2 3.78Å; R115-E621 PolarHBondContact NH1-OE2 3.18Å; R115-E621 VanDerWaalsContact NH1-OE2 3.1Å; R115-E621 IonicContact NH2-OE2 2.92Å; R115-E621 PolarHBondContact NH2-OE2 3.01Å; Q382-E621 WeakPolarHBondContact CA-OE2 3.49Å; Q382-E621 HydrophobicContact CB-CG 4.1Å; W416-E621 WeakPolarHBondContact CA-O 3.44Å; F617-E621 HydrophobicContact CD2-CB 3.92Å; F617-E621 HydrophobicContact CD2-CG 4.17Å; F617-E621 WeakPolarHBondContact CD2-OE1 3.45Å; F617-E621 HydrophobicContact CE2-CB 3.94Å; F617-E621 WeakPolarHBondContact O-CB 3.36Å; F617-E621 PolarHBondContact O-N 3Å
622M97.2Very high80.2Confident1 Ų157 Ų571%0.00530%0.303CS..SBendtrans-108.68.9-177.5-54.2-70.6111.900113.6S415 W416 A578 F579 V582 F617 L618 L624S415-M622 PolarHBondContact N-O 2.95Å; S415-M622 CarbonylContact O-C 3.46Å; S415-M622 WeakPolarHBondContact O-CA 3.37Å; W416-M622 HydrophobicContact CB-CE 3.94Å; W416-M622 HydrophobicContact CB-SD 4.49Å; A578-M622 HydrophobicContact CB-CG 4.09Å; A578-M622 HydrophobicContact CB-SD 4.13Å; F579-M622 HydrophobicContact CD2-SD 3.97Å; F579-M622 HydrophobicContact CE2-CE 4.1Å; F579-M622 HydrophobicContact CE2-SD 3.87Å; F579-M622 HydrophobicContact CG-SD 4.4Å; F579-M622 HydrophobicContact CZ-CE 4.01Å; F579-M622 HydrophobicContact CZ-SD 4.24Å; V582-M622 HydrophobicContact CB-CB 4.49Å; V582-M622 HydrophobicContact CG2-CB 3.65Å; F617-M622 HydrophobicContact CD1-CG 4Å; F617-M622 HydrophobicContact CE1-CE 4.16Å; F617-M622 HydrophobicContact CE1-CG 3.4Å; F617-M622 VanDerWaalsContact CE1-CG 3.4Å; F617-M622 HydrophobicContact CE1-SD 3.9Å; F617-M622 HydrophobicContact CE2-CE 3.62Å; F617-M622 HydrophobicContact CE2-CG 4.32Å; F617-M622 HydrophobicContact CE2-SD 4.44Å; F617-M622 HydrophobicContact CZ-CE 3.3Å; F617-M622 HydrophobicContact CZ-CG 3.59Å; F617-M622 HydrophobicContact CZ-SD 3.58Å; F617-M622 VanDerWaalsContact CZ-SD 3.58Å; F617-M622 PolarHBondContact O-N 2.89Å; L618-M622 HydrophobicContact CD2-CB 4.47Å; L618-M622 HydrophobicContact CD2-CG 4.33Å; L618-M622 CarbonylContact O-C 3.28Å; L618-M622 PolarHBondContact O-N 3.49Å; M622-L624 PolarHBondContact O-N 3.28Å
623G93.1Very high77.2Confident6 Ų660.2 Ų60.26%0.06232%0.315CS..SBendtrans79.96.9170.200000116.2S415 L618 G625 L626S415-G623 PolarHBondContact O-N 3.47Å; S415-G623 WeakPolarHBondContact OG-CA 3.34Å; L618-G623 PolarHBondContact O-N 3.48Å; G623-G625 VanDerWaalsContact C-N 3.25Å; G623-G625 PolarHBondContact O-N 3.33Å; G623-L626 PolarHBondContact O-N 3.4Å
624L91.8Very high74.6Confident11 Ų1160.4 Ų60.46%0.05832%0.317CS..G310 helixtrans-61.7-36.7175.4176.666.9000111.4V582 L618 K619 M622 R627V582-L624 HydrophobicContact CB-CB 4.43Å; V582-L624 HydrophobicContact CG1-CB 3.92Å; V582-L624 HydrophobicContact CG1-CD1 4Å; V582-L624 HydrophobicContact CG2-CB 3.64Å; L618-L624 HydrophobicContact CB-CB 4.48Å; L618-L624 HydrophobicContact CB-CD2 3.95Å; L618-L624 WeakPolarHBondContact O-CB 3.43Å; L618-L624 PolarHBondContact O-N 2.95Å; L618-L624 VanDerWaalsContact O-N 3.08Å; K619-L624 HydrophobicContact CG-CD2 4.02Å; K619-L624 HydrophobicContact CG-CG 4.33Å; M622-L624 PolarHBondContact O-N 3.28Å; L624-R627 PolarHBondContact O-N 3.46Å
625G86.9Confident72Confident24 Ų2466.7 Ų66.725%0.24735%0.351CS..G310 helixtrans-81-12.3178.100000114.3K619 G623 R627 V628K619-G625 VanDerWaalsContact O-CA 3.27Å; K619-G625 WeakPolarHBondContact O-CA 3.44Å; K619-G625 PolarHBondContact O-N 2.85Å; G623-G625 VanDerWaalsContact C-N 3.25Å; G623-G625 PolarHBondContact O-N 3.33Å; G625-R627 PolarHBondContact O-N 2.88Å; G625-V628 VanDerWaalsContact O-CB 3.3Å; G625-V628 WeakPolarHBondContact O-CB 3.32Å; G625-V628 WeakPolarHBondContact O-CG2 3.06Å; G625-V628 PolarHBondContact O-N 3.48Å; G625-V628 VanDerWaalsContact O-N 3.16Å
626L82.4Confident69.9Low43 Ų4365 Ų6523%0.22534%0.343CS..G310 helixtrans-69.9-20.5171-71-179.1000112P385 E387 V390 G623 V628P385-L626 HydrophobicContact CB-CD1 4.09Å; P385-L626 HydrophobicContact CG-CD1 3.81Å; E387-L626 HydrophobicContact CB-CD2 4.37Å; V390-L626 HydrophobicContact CG2-CD1 3.98Å; G623-L626 PolarHBondContact O-N 3.4Å; L626-V628 PolarHBondContact O-N 2.88Å
627R62.9Low68.4Low94 Ų9464.8 Ų64.836%0.35535%0.345SS..G310 helixtrans-76.910.7171.4-65.2-171.5176.9-154-1.9113.1G410 V412 L624 G625 M629G410-R627 PolarHBondContact O-NH2 2.95Å; V412-R627 PolarHBondContact O-NH2 3.47Å; L624-R627 PolarHBondContact O-N 3.46Å; G625-R627 PolarHBondContact O-N 2.88Å; R627-M629 VanDerWaalsContact C-N 3.28Å; R627-M629 PolarHBondContact O-N 3.38Å
628V48.1Very low66.9Low112 Ų11270.8 Ų70.868%0.67938%0.376SS*.  trans-66.693.8175.8172.40000108.7G625 L626 E630G625-V628 VanDerWaalsContact O-CB 3.3Å; G625-V628 WeakPolarHBondContact O-CB 3.32Å; G625-V628 WeakPolarHBondContact O-CG2 3.06Å; G625-V628 PolarHBondContact O-N 3.48Å; G625-V628 VanDerWaalsContact O-N 3.16Å; L626-V628 PolarHBondContact O-N 2.88Å; V628-E630 PolarHBondContact O-N 2.84Å
629M41.8Very low65.4Low113 Ų11377 Ų7756%0.55741%0.409SS*.  trans-8114.9138.8-59.6165.167.200110.1R627 G631R627-M629 VanDerWaalsContact C-N 3.28Å; R627-M629 PolarHBondContact O-N 3.38Å; M629-G631 PolarHBondContact O-N 3.29Å
630E36.8Very low63.7Low165 Ų16575.7 Ų75.777%0.77141%0.405SS*.  trans-45113.3163.7-80.6-176.2151.100107.1V628 V632V628-E630 PolarHBondContact O-N 2.84Å; E630-V632 VanDerWaalsContact C-N 3.25Å; E630-V632 PolarHBondContact O-N 3.4Å
631G34.4Very low62.1Low76 Ų7677.1 Ų77.178%0.78441%0.409SS*.  trans-64.188.1-175.100000109.5M629 R633M629-G631 PolarHBondContact O-N 3.29Å; G631-R633 PolarHBondContact O-N 2.8Å; G631-R633 VanDerWaalsContact O-N 3.16Å
632V36.8Very low60.7Low46 Ų4679.5 Ų79.528%0.27943%0.427SS..  trans-68.3111.5170-178.80000106.2E630 M634 Q702E630-V632 VanDerWaalsContact C-N 3.25Å; E630-V632 PolarHBondContact O-N 3.4Å; V632-M634 PolarHBondContact O-N 3.14Å; V632-Q702 HydrophobicContact CG2-CG 4.13Å
633R34.6Very low59.3Low202 Ų20285.3 Ų85.376%0.76245%0.454SS*.  trans-53.8111.8167.6-100.1-173.3177-174.7-0.4108.7G631 D635 R705G631-R633 PolarHBondContact O-N 2.8Å; G631-R633 VanDerWaalsContact O-N 3.16Å; R633-D635 PolarHBondContact O-N 3.39Å; R633-R705 PolarHBondContact O-NH2 3.08Å
634M42.4Very low58Low79 Ų7986 Ų8639%0.38946%0.457SS..  trans-87.880.8178.7-67.3-68.2-84.400109.6V632 L636 L701V632-M634 PolarHBondContact O-N 3.14Å; M634-L636 HydrophobicContact CE-CD1 3.62Å; M634-L636 PolarHBondContact O-N 3.24Å; M634-L636 VanDerWaalsContact O-N 3.15Å; M634-L636 HydrophobicContact SD-CD1 4.47Å; M634-L701 HydrophobicContact CE-CB 3.89Å; M634-L701 HydrophobicContact CE-CD1 4.31Å
635D44.2Very low57Low132 Ų13288.2 Ų88.271%0.70647%0.468SS*.  trans-85.663.2168.7-62.9-27.5000109.4R633R633-D635 PolarHBondContact O-N 3.39Å
636L54.7Low56.5Low27 Ų2792.6 Ų92.614%0.14148%0.482CS..  trans-106143.3172.3-68.1172000109.7M634 E640 I641 L644 L708M634-L636 HydrophobicContact CE-CD1 3.62Å; M634-L636 PolarHBondContact O-N 3.24Å; M634-L636 VanDerWaalsContact O-N 3.15Å; M634-L636 HydrophobicContact SD-CD1 4.47Å; L636-E640 HydrophobicContact CB-CB 4.4Å; L636-E640 HydrophobicContact CD2-CB 4.36Å; L636-I641 HydrophobicContact CB-CD1 4.22Å; L636-I641 HydrophobicContact CB-CG1 3.79Å; L636-I641 HydrophobicContact CD1-CG1 4.35Å; L636-L644 HydrophobicContact CD1-CD1 3.83Å; L636-L708 HydrophobicContact CD2-CD2 4.1Å
637T65.6Low56.1Low78 Ų7892.3 Ų92.348%0.47948%0.484SS..  trans-70157.6172.661.60000111.2D639 E640 I641T637-D639 PolarHBondContact O-N 2.75Å; T637-E640 PolarHBondContact N-OE2 3.11Å; T637-E640 PolarHBondContact O-N 3.47Å; T637-E640 VanDerWaalsContact OG1-CG 3.23Å; T637-E640 WeakPolarHBondContact OG1-CG 3.19Å; T637-E640 PolarHBondContact OG1-N 2.95Å; T637-E640 PolarHBondContact OG1-OE2 3.27Å; T637-I641 WeakPolarHBondContact O-CG1 3.32Å; T637-I641 PolarHBondContact O-N 3.28Å
638I65.6Low56.9Low137 Ų13788 Ų8870%0.70347%0.468SS*.Hα-helixtrans-57.3-35.6179.2-65.5173.5000111.6S642I638-S642 WeakPolarHBondContact O-CB 3.36Å; I638-S642 PolarHBondContact O-N 3.02Å; I638-S642 PolarHBondContact O-OG 2.87Å
639D67Low58.4Low130 Ų13091.4 Ų91.470%0.69547%0.468SS*.Hα-helixtrans-71-41.1179.8-65.3-27.7000111.8T637 S642 H643T637-D639 PolarHBondContact O-N 2.75Å; D639-S642 PolarHBondContact O-N 2.91Å; D639-H643 PolarHBondContact O-N 3.12Å
640E58.7Low60.2Low66 Ų6692.2 Ų92.231%0.30847%0.469SS..Hα-helixtrans-63.1-43.7174.8-73.5165.4148.400111.2L636 T637 S642 H643 L644L636-E640 HydrophobicContact CB-CB 4.4Å; L636-E640 HydrophobicContact CD2-CB 4.36Å; T637-E640 PolarHBondContact N-OE2 3.11Å; T637-E640 PolarHBondContact O-N 3.47Å; T637-E640 VanDerWaalsContact OG1-CG 3.23Å; T637-E640 WeakPolarHBondContact OG1-CG 3.19Å; T637-E640 PolarHBondContact OG1-N 2.95Å; T637-E640 PolarHBondContact OG1-OE2 3.27Å; E640-S642 VanDerWaalsContact C-N 3.33Å; E640-S642 PolarHBondContact O-N 3.09Å; E640-H643 PolarHBondContact O-N 3.24Å; E640-L644 WeakPolarHBondContact O-CB 3.5Å; E640-L644 WeakPolarHBondContact O-CG 3.19Å; E640-L644 PolarHBondContact O-N 3.33Å
641I62.1Low62.3Low62 Ų6285.3 Ų85.332%0.31844%0.437SS..Hα-helixtrans-59.9-45.6174.8-65.9170.9000110.1L636 T637 H643 L644 L645L636-I641 HydrophobicContact CB-CD1 4.22Å; L636-I641 HydrophobicContact CB-CG1 3.79Å; L636-I641 HydrophobicContact CD1-CG1 4.35Å; T637-I641 WeakPolarHBondContact O-CG1 3.32Å; T637-I641 PolarHBondContact O-N 3.28Å; I641-H643 PolarHBondContact O-N 3.34Å; I641-L644 PolarHBondContact O-N 3.11Å; I641-L645 HydrophobicContact CG2-CD1 3.85Å; I641-L645 HydrophobicContact CG2-CG 4.2Å; I641-L645 WeakPolarHBondContact O-CB 3.31Å; I641-L645 VanDerWaalsContact O-CG 3.22Å; I641-L645 WeakPolarHBondContact O-CG 3.31Å; I641-L645 PolarHBondContact O-N 3.33Å
642S67.3Low64.6Low65 Ų6582.1 Ų82.146%0.45540%0.402SS..Hα-helixtrans-62.2-41.7-179.3-62.40000112.6I638 D639 E640 L645 Q646I638-S642 WeakPolarHBondContact O-CB 3.36Å; I638-S642 PolarHBondContact O-N 3.02Å; I638-S642 PolarHBondContact O-OG 2.87Å; D639-S642 PolarHBondContact O-N 2.91Å; E640-S642 VanDerWaalsContact C-N 3.33Å; E640-S642 PolarHBondContact O-N 3.09Å; S642-L645 PolarHBondContact O-N 3.48Å; S642-Q646 PolarHBondContact O-N 3.25Å; S642-Q646 VanDerWaalsContact O-N 3.09Å
643H68.6Low66.4Low123 Ų12386 Ų8657%0.56942%0.417SS*.Hα-helixtrans-65.9-42.8176.5-174.3-92.8000111.9D639 E640 I641 Q646 S647D639-H643 PolarHBondContact O-N 3.12Å; E640-H643 PolarHBondContact O-N 3.24Å; I641-H643 PolarHBondContact O-N 3.34Å; H643-Q646 PolarHBondContact O-N 2.77Å; H643-S647 PolarHBondContact O-N 3.07Å; H643-S647 PolarHBondContact O-OG 3.42Å
644L66.3Low68.4Low22 Ų2280.7 Ų80.712%0.11540%0.404CS..Hα-helixtrans-64.3-41.5177.1-68.3169.2000112.1L636 E640 I641 Q646 S647 F648 L701 L704L636-L644 HydrophobicContact CD1-CD1 3.83Å; E640-L644 WeakPolarHBondContact O-CB 3.5Å; E640-L644 WeakPolarHBondContact O-CG 3.19Å; E640-L644 PolarHBondContact O-N 3.33Å; I641-L644 PolarHBondContact O-N 3.11Å; L644-Q646 VanDerWaalsContact C-N 3.28Å; L644-Q646 PolarHBondContact O-N 2.97Å; L644-S647 PolarHBondContact O-N 3.26Å; L644-F648 PolarHBondContact O-N 2.85Å; L644-L701 HydrophobicContact CB-CD2 3.59Å; L644-L701 HydrophobicContact CD1-CD2 3.77Å; L644-L701 HydrophobicContact CG-CD2 4.27Å; L644-L704 HydrophobicContact CD2-CB 3.82Å; L644-L704 HydrophobicContact CD2-CD1 3.51Å; L644-L704 HydrophobicContact CD2-CG 4.3Å
645L70.4Confident70Confident57 Ų5782.9 Ų82.930%0.29842%0.421SS..Hα-helixtrans-60.2-38.3174.2-73.3173.3000111.8I641 S642 R649 M697I641-L645 HydrophobicContact CG2-CD1 3.85Å; I641-L645 HydrophobicContact CG2-CG 4.2Å; I641-L645 WeakPolarHBondContact O-CB 3.31Å; I641-L645 VanDerWaalsContact O-CG 3.22Å; I641-L645 WeakPolarHBondContact O-CG 3.31Å; I641-L645 PolarHBondContact O-N 3.33Å; S642-L645 PolarHBondContact O-N 3.48Å; L645-R649 WeakPolarHBondContact O-CG 3.21Å; L645-R649 PolarHBondContact O-N 3.08Å; L645-R649 VanDerWaalsContact O-N 3.09Å; L645-M697 HydrophobicContact CD2-CE 3.41Å; L645-M697 VanDerWaalsContact CD2-CE 3.41Å; L645-M697 HydrophobicContact CD2-CG 4.42Å; L645-M697 HydrophobicContact CD2-SD 3.7Å
646Q76.4Confident71.6Confident115 Ų11580.1 Ų80.154%0.53740%0.403SS..Hα-helixtrans-68.2-40.4176.6-166.3178.416.300111.8S642 H643 L644 R649 K650S642-Q646 PolarHBondContact O-N 3.25Å; S642-Q646 VanDerWaalsContact O-N 3.09Å; H643-Q646 PolarHBondContact O-N 2.77Å; L644-Q646 VanDerWaalsContact C-N 3.28Å; L644-Q646 PolarHBondContact O-N 2.97Å; Q646-R649 PolarHBondContact O-N 3.49Å; Q646-K650 WeakPolarHBondContact O-CG 3.35Å; Q646-K650 PolarHBondContact O-N 2.79Å
647S73.3Confident72.6Confident37 Ų3780.8 Ų80.826%0.25942%0.417SS..Hα-helixtrans-63.5-43175.3-65.40000112.2H643 L644 R649 K650 L651H643-S647 PolarHBondContact O-N 3.07Å; H643-S647 PolarHBondContact O-OG 3.42Å; L644-S647 PolarHBondContact O-N 3.26Å; S647-R649 PolarHBondContact O-N 3.28Å; S647-K650 PolarHBondContact O-N 2.93Å; S647-L651 PolarHBondContact O-N 3.26Å
648F79.2Confident73.3Confident5 Ų580.7 Ų80.72%0.02241%0.408CS..Hα-helixtrans-61.8-44.7175.9-173.8-92.1000111.7L644 K650 L651 D652 V659 M697 F700L644-F648 PolarHBondContact O-N 2.85Å; F648-K650 PolarHBondContact O-N 3.36Å; F648-L651 WeakPolarHBondContact O-CB 3.41Å; F648-L651 PolarHBondContact O-N 3.04Å; F648-D652 HydrophobicContact CD1-CB 4.16Å; F648-D652 HydrophobicContact CE1-CB 3.83Å; F648-D652 HydrophobicContact CZ-CB 4.43Å; F648-D652 PolarHBondContact O-N 3.3Å; F648-V659 HydrophobicContact CD2-CG2 3.99Å; F648-V659 HydrophobicContact CE2-CG2 3.61Å; F648-V659 HydrophobicContact CZ-CG2 4Å; F648-M697 HydrophobicContact CB-CE 3.75Å; F648-M697 HydrophobicContact CB-SD 3.66Å; F648-M697 HydrophobicContact CD1-CE 3.17Å; F648-M697 HydrophobicContact CD1-SD 3.76Å; F648-M697 HydrophobicContact CD2-CE 4.45Å; F648-M697 HydrophobicContact CD2-SD 3.94Å; F648-M697 HydrophobicContact CE1-CB 4.27Å; F648-M697 HydrophobicContact CE1-CE 3.81Å; F648-M697 HydrophobicContact CE1-SD 4.34Å; F648-M697 HydrophobicContact CE2-CB 4.33Å; F648-M697 HydrophobicContact CE2-SD 4.49Å; F648-M697 HydrophobicContact CG-CE 3.53Å; F648-M697 HydrophobicContact CG-SD 3.49Å; F648-M697 WeakPolarHBondContact CG-SD 3.3Å; F648-M697 HydrophobicContact CZ-CB 4.09Å; F648-F700 HydrophobicContact CB-CD1 3.77Å; F648-F700 HydrophobicContact CB-CE1 3.71Å; F648-F700 HydrophobicContact CB-CG 4.5Å; F648-F700 HydrophobicContact CB-CZ 4.43Å; F648-F700 HydrophobicContact CD2-CB 3.58Å; F648-F700 AromaticContact CD2-CD1 3.6Å; F648-F700 HydrophobicContact CD2-CD1 3.6Å; F648-F700 HydrophobicContact CD2-CD2 4.05Å; F648-F700 HydrophobicContact CD2-CE1 4.2Å; F648-F700 AromaticContact CD2-CG 3.49Å; F648-F700 HydrophobicContact CD2-CG 3.49Å; F648-F700 VanDerWaalsContact CD2-CG 3.49Å; F648-F700 HydrophobicContact CE2-CB 3.86Å; F648-F700 HydrophobicContact CE2-CG 4.21Å; F648-F700 HydrophobicContact CG-CD1 4.17Å; F648-F700 HydrophobicContact CG-CE1 4.49Å; F648-F700 HydrophobicContact CG-CG 4.47Å
649R80.3Confident74.1Confident183 Ų18374.3 Ų74.369%0.69138%0.375SS*.Hα-helixtrans-62.7-26.8178-75.1179.2-176.3-175.92.5114L645 Q646 S647 L651 D652L645-R649 WeakPolarHBondContact O-CG 3.21Å; L645-R649 PolarHBondContact O-N 3.08Å; L645-R649 VanDerWaalsContact O-N 3.09Å; Q646-R649 PolarHBondContact O-N 3.49Å; S647-R649 PolarHBondContact O-N 3.28Å; R649-L651 VanDerWaalsContact C-N 3.33Å; R649-D652 CarbonylContact O-C 3.55Å
650K80.5Confident74.9Confident129 Ų12969 Ų6956%0.56135%0.348SS*.Hα-helixtrans-70.8-32.8173.3-73178.3-179.21800112Q646 S647 F648 F667Q646-K650 WeakPolarHBondContact O-CG 3.35Å; Q646-K650 PolarHBondContact O-N 2.79Å; S647-K650 PolarHBondContact O-N 2.93Å; F648-K650 PolarHBondContact O-N 3.36Å; K650-F667 HydrophobicContact CB-CE2 4.27Å
651L80.2Confident76.1Confident20 Ų2067.1 Ų67.111%0.10534%0.341CS..Hα-helixtrans-80-42.8177-66.4168.6000111.2S647 F648 R649 H653 V659 L664 F667 F700S647-L651 PolarHBondContact O-N 3.26Å; F648-L651 WeakPolarHBondContact O-CB 3.41Å; F648-L651 PolarHBondContact O-N 3.04Å; R649-L651 VanDerWaalsContact C-N 3.33Å; L651-H653 VanDerWaalsContact C-N 3.31Å; L651-H653 PolarHBondContact O-N 3.45Å; L651-V659 HydrophobicContact CB-CG1 4.12Å; L651-V659 HydrophobicContact CB-CG2 3.62Å; L651-L664 HydrophobicContact CD2-CD2 4.19Å; L651-F667 HydrophobicContact CD2-CB 3.74Å; L651-F667 HydrophobicContact CD2-CD1 3.67Å; L651-F667 HydrophobicContact CD2-CD2 3.77Å; L651-F667 HydrophobicContact CD2-CE1 4.22Å; L651-F667 HydrophobicContact CD2-CE2 4.3Å; L651-F667 HydrophobicContact CD2-CG 3.43Å; L651-F667 VanDerWaalsContact CD2-CG 3.43Å; L651-F700 HydrophobicContact CD1-CD2 4.31Å; L651-F700 HydrophobicContact CD1-CE2 3.34Å; L651-F700 HydrophobicContact CD1-CZ 3.66Å
652D82.6Confident77Confident10 Ų1068.9 Ų68.95%0.05335%0.351CS..  trans-89.461.1174.7-175.526.3000111.5F648 R649 D654 T655 K656 G657 V659F648-D652 HydrophobicContact CD1-CB 4.16Å; F648-D652 HydrophobicContact CE1-CB 3.83Å; F648-D652 HydrophobicContact CZ-CB 4.43Å; F648-D652 PolarHBondContact O-N 3.3Å; R649-D652 CarbonylContact O-C 3.55Å; D652-D654 PolarHBondContact O-N 3.48Å; D652-D654 VanDerWaalsContact O-N 3.15Å; D652-T655 PolarHBondContact O-N 2.74Å; D652-T655 PolarHBondContact OD1-N 2.68Å; D652-T655 WeakPolarHBondContact OD2-CA 3.42Å; D652-K656 VanDerWaalsContact CG-N 3.33Å; D652-K656 PolarHBondContact OD1-N 3.11Å; D652-K656 PolarHBondContact OD2-N 2.9Å; D652-G657 WeakPolarHBondContact OD2-CA 3.31Å; D652-G657 PolarHBondContact OD2-N 3.42Å; D652-V659 HydrophobicContact CB-CG2 4.28Å
653H73.5Confident77.7Confident128 Ų12866.5 Ų66.559%0.59333%0.333SS*.THydrogen-bonded Turntrans-55.7-31.6-178.6178.7-77.9000112.8L651L651-H653 VanDerWaalsContact C-N 3.31Å; L651-H653 PolarHBondContact O-N 3.45Å
654D76.5Confident78.3Confident90 Ų9061.4 Ų61.448%0.48131%0.309SS..THydrogen-bonded Turntrans-91.23.7-176.6-60.3-19.5000113D652 K656D652-D654 PolarHBondContact O-N 3.48Å; D652-D654 VanDerWaalsContact O-N 3.15Å; D654-K656 VanDerWaalsContact C-N 3.33Å; D654-K656 HydrophobicContact CB-CD 4.3Å; D654-K656 HydrophobicContact CB-CG 4.06Å; D654-K656 PolarHBondContact O-N 3.14Å
655T77.2Confident78.9Confident124 Ų12464.4 Ų64.476%0.76132%0.319SS*.  trans57.139177.960.10000114.3D652 G657D652-T655 PolarHBondContact O-N 2.74Å; D652-T655 PolarHBondContact OD1-N 2.68Å; D652-T655 WeakPolarHBondContact OD2-CA 3.42Å; T655-G657 VanDerWaalsContact C-N 3.29Å
656K77.8Confident79.4Confident74 Ų7466 Ų6632%0.32232%0.324SS..  trans-74.5-21.3-179.7-60.1174-60.5-161.80112.6D652 D654 Y658 D663D652-K656 VanDerWaalsContact CG-N 3.33Å; D652-K656 PolarHBondContact OD1-N 3.11Å; D652-K656 PolarHBondContact OD2-N 2.9Å; D654-K656 VanDerWaalsContact C-N 3.33Å; D654-K656 HydrophobicContact CB-CD 4.3Å; D654-K656 HydrophobicContact CB-CG 4.06Å; D654-K656 PolarHBondContact O-N 3.14Å; K656-Y658 HydrophobicContact CB-CD1 4Å; K656-Y658 HydrophobicContact CB-CE1 3.73Å; K656-Y658 HydrophobicContact CB-CE2 4.47Å; K656-Y658 HydrophobicContact CB-CG 4.49Å; K656-Y658 HydrophobicContact CD-CE2 4.26Å; K656-D663 IonicContact NZ-OD1 3.43Å; K656-D663 PolarHBondContact NZ-OD1 3.05Å; K656-D663 IonicContact NZ-OD2 3.48Å; K656-D663 PolarHBondContact NZ-OD2 2.85Å
657G74.9Confident79.5Confident41 Ų4164 Ų6442%0.42331%0.313SS..SBendtrans90.61.6-173.500000114.3D652 T655D652-G657 WeakPolarHBondContact OD2-CA 3.31Å; D652-G657 PolarHBondContact OD2-N 3.42Å; T655-G657 VanDerWaalsContact C-N 3.29Å
658Y81.4Confident79.6Confident76 Ų7663.1 Ų63.130%0.29831%0.307SS..EExtended strand (participates in β ladder)trans-149157.3179.263.4-96.4000111.6K656 Q694 V695K656-Y658 HydrophobicContact CB-CD1 4Å; K656-Y658 HydrophobicContact CB-CE1 3.73Å; K656-Y658 HydrophobicContact CB-CE2 4.47Å; K656-Y658 HydrophobicContact CB-CG 4.49Å; K656-Y658 HydrophobicContact CD-CE2 4.26Å; Y658-Q694 HydrophobicContact CD2-CB 3.75Å; Y658-Q694 VanDerWaalsContact CD2-CD 3.42Å; Y658-Q694 HydrophobicContact CD2-CG 3.74Å; Y658-Q694 HydrophobicContact CE2-CB 4.47Å; Y658-Q694 HydrophobicContact CE2-CG 3.96Å; Y658-Q694 HydrophobicContact CG-CB 4.14Å; Y658-Q694 HydrophobicContact CG-CG 4.45Å; Y658-V695 CarbonylContact C-O 3.54Å; Y658-V695 WeakPolarHBondContact CA-O 3.35Å
659V81.7Confident79.4Confident3 Ų368 Ų682%0.01834%0.337CS..EExtended strand (participates in β ladder)trans-110.7121.4176.3176.80000109.1F648 L651 D652 D663 L664 Q694 V695F648-V659 HydrophobicContact CD2-CG2 3.99Å; F648-V659 HydrophobicContact CE2-CG2 3.61Å; F648-V659 HydrophobicContact CZ-CG2 4Å; L651-V659 HydrophobicContact CB-CG1 4.12Å; L651-V659 HydrophobicContact CB-CG2 3.62Å; D652-V659 HydrophobicContact CB-CG2 4.28Å; V659-D663 HydrophobicContact CG1-CB 3.99Å; V659-L664 HydrophobicContact CG1-CD2 4.03Å; V659-L664 HydrophobicContact CG1-CG 3.92Å; V659-Q694 CarbonylContact O-C 3.27Å; V659-Q694 WeakPolarHBondContact O-CA 3.35Å; V659-V695 HydrophobicContact CB-CB 4.37Å; V659-V695 PolarHBondContact N-O 2.82Å; V659-V695 PolarHBondContact O-N 2.55Å
660S84.1Confident79.3Confident18 Ų1865.4 Ų65.413%0.12633%0.333CS..EExtended strand (participates in β ladder)trans-98.1172.7176.566.80000112.1D662 D663 L664S660-D662 PolarHBondContact O-N 3.29Å; S660-D662 PolarHBondContact OG-N 2.94Å; S660-D663 WeakPolarHBondContact CB-OD2 3.39Å; S660-D663 PolarHBondContact N-OD2 2.82Å; S660-D663 PolarHBondContact O-N 3.25Å; S660-D663 VanDerWaalsContact O-N 3.17Å; S660-D663 VanDerWaalsContact OG-CG 3.3Å; S660-D663 PolarHBondContact OG-N 2.81Å; S660-D663 PolarHBondContact OG-OD2 2.57Å; S660-L664 PolarHBondContact O-N 3.48Å; S660-L664 VanDerWaalsContact O-N 3.14Å
661L83Confident79Confident28 Ų2862.4 Ų62.415%0.14733%0.328CS..Hα-helixtrans-54.9-39.1171.5-168.966.5000112.3D663 L664 R665 E677 L680 Q681 L684L661-D663 VanDerWaalsContact C-N 3.33Å; L661-L664 PolarHBondContact O-N 3.27Å; L661-R665 WeakPolarHBondContact O-CB 2.95Å; L661-R665 PolarHBondContact O-N 3.03Å; L661-E677 WeakPolarHBondContact CD2-OE1 3.36Å; L661-L680 HydrophobicContact CD1-CB 3.88Å; L661-Q681 HydrophobicContact CD1-CB 4.43Å; L661-L684 HydrophobicContact CB-CD2 3.96Å; L661-L684 HydrophobicContact CD1-CB 4.38Å; L661-L684 HydrophobicContact CD1-CD2 4.3Å
662D82Confident78.5Confident99 Ų9964.8 Ų64.853%0.52936%0.358SS..Hα-helixtrans-68.1-35.4-179.3-69.4-17.1000111.7S660 R665 K666S660-D662 PolarHBondContact O-N 3.29Å; S660-D662 PolarHBondContact OG-N 2.94Å; D662-R665 PolarHBondContact O-N 3.3Å; D662-R665 IonicContact OD1-CZ 3.83Å; D662-R665 IonicContact OD1-NH1 3.52Å; D662-R665 PolarHBondContact OD1-NH1 2.97Å; D662-R665 IonicContact OD1-NH2 3.4Å; D662-R665 PolarHBondContact OD1-NH2 2.93Å; D662-K666 WeakPolarHBondContact O-CB 3.46Å; D662-K666 PolarHBondContact O-N 2.94Å
663D82.6Confident77.9Confident14 Ų1470.4 Ų70.48%0.07538%0.384CS..Hα-helixtrans-66.7-44175.9-60.1-49.9000111.1K656 V659 S660 L661 R665 K666 F667K656-D663 IonicContact NZ-OD1 3.43Å; K656-D663 PolarHBondContact NZ-OD1 3.05Å; K656-D663 IonicContact NZ-OD2 3.48Å; K656-D663 PolarHBondContact NZ-OD2 2.85Å; V659-D663 HydrophobicContact CG1-CB 3.99Å; S660-D663 WeakPolarHBondContact CB-OD2 3.39Å; S660-D663 PolarHBondContact N-OD2 2.82Å; S660-D663 PolarHBondContact O-N 3.25Å; S660-D663 VanDerWaalsContact O-N 3.17Å; S660-D663 VanDerWaalsContact OG-CG 3.3Å; S660-D663 PolarHBondContact OG-N 2.81Å; S660-D663 PolarHBondContact OG-OD2 2.57Å; L661-D663 VanDerWaalsContact C-N 3.33Å; D663-R665 VanDerWaalsContact C-N 3.33Å; D663-R665 PolarHBondContact O-N 3.35Å; D663-K666 PolarHBondContact O-N 3.44Å; D663-F667 WeakPolarHBondContact O-CB 3.04Å; D663-F667 PolarHBondContact O-N 3.49Å
664L80.2Confident77.7Confident16 Ų1675.3 Ų75.38%0.08440%0.399CS..Hα-helixtrans-59.7-44.7173.4-69.8172.8000111.2L651 V659 S660 L661 K666 F667 C668 L680 L684L651-L664 HydrophobicContact CD2-CD2 4.19Å; V659-L664 HydrophobicContact CG1-CD2 4.03Å; V659-L664 HydrophobicContact CG1-CG 3.92Å; S660-L664 PolarHBondContact O-N 3.48Å; S660-L664 VanDerWaalsContact O-N 3.14Å; L661-L664 PolarHBondContact O-N 3.27Å; L664-K666 PolarHBondContact O-N 3.15Å; L664-F667 PolarHBondContact O-N 3.1Å; L664-C668 PolarHBondContact O-N 3.44Å; L664-C668 PolarHBondContact O-SG 3.08Å; L664-L680 HydrophobicContact CB-CD2 4.19Å; L664-L684 HydrophobicContact CD1-CB 4.03Å; L664-L684 HydrophobicContact CD1-CD1 3.73Å
665R79.1Confident77.6Confident85 Ų8573.1 Ų73.132%0.32139%0.388SS..Hα-helixtrans-62.2-44.8178.8-163.4-175.7-55.3107.83.8111.6L661 D662 D663 T669 E677 L680L661-R665 WeakPolarHBondContact O-CB 2.95Å; L661-R665 PolarHBondContact O-N 3.03Å; D662-R665 PolarHBondContact O-N 3.3Å; D662-R665 IonicContact OD1-CZ 3.83Å; D662-R665 IonicContact OD1-NH1 3.52Å; D662-R665 PolarHBondContact OD1-NH1 2.97Å; D662-R665 IonicContact OD1-NH2 3.4Å; D662-R665 PolarHBondContact OD1-NH2 2.93Å; D663-R665 VanDerWaalsContact C-N 3.33Å; D663-R665 PolarHBondContact O-N 3.35Å; R665-T669 WeakPolarHBondContact O-CB 3.43Å; R665-T669 PolarHBondContact O-N 2.92Å; R665-T669 PolarHBondContact O-OG1 3.48Å; R665-E677 IonicContact CZ-OE1 3.54Å; R665-E677 IonicContact CZ-OE2 2.85Å; R665-E677 IonicContact NE-OE1 2.64Å; R665-E677 PolarHBondContact NE-OE1 3.47Å; R665-E677 IonicContact NE-OE2 3.95Å; R665-E677 PolarHBondContact NE-OE2 2.98Å; R665-E677 VanDerWaalsContact NE-OE2 3.08Å; R665-E677 IonicContact NH2-OE1 2.71Å; R665-E677 PolarHBondContact NH2-OE1 3.38Å; R665-E677 IonicContact NH2-OE2 3.64Å; R665-L680 HydrophobicContact CB-CD1 4.05Å; R665-L680 HydrophobicContact CG-CD1 4.02Å
666K80.3Confident77.6Confident90 Ų9069.7 Ų69.739%0.39137%0.369SS..Hα-helixtrans-62.3-46.9177.9-173.7-179.8174.8-170.80110.9D662 D663 L664 C668 T669 E670D662-K666 WeakPolarHBondContact O-CB 3.46Å; D662-K666 PolarHBondContact O-N 2.94Å; D663-K666 PolarHBondContact O-N 3.44Å; L664-K666 PolarHBondContact O-N 3.15Å; K666-C668 PolarHBondContact O-N 2.74Å; K666-T669 PolarHBondContact O-N 2.89Å; K666-E670 WeakPolarHBondContact CE-OE1 3.28Å; K666-E670 WeakPolarHBondContact O-CG 3.36Å; K666-E670 PolarHBondContact O-N 3.36Å
667F79.6Confident77.6Confident74 Ų7470.4 Ų70.433%0.32537%0.374SS..Hα-helixtrans-60.1-45.2178.4179.5-95.6000113.1K650 L651 D663 L664 E670 S671K650-F667 HydrophobicContact CB-CE2 4.27Å; L651-F667 HydrophobicContact CD2-CB 3.74Å; L651-F667 HydrophobicContact CD2-CD1 3.67Å; L651-F667 HydrophobicContact CD2-CD2 3.77Å; L651-F667 HydrophobicContact CD2-CE1 4.22Å; L651-F667 HydrophobicContact CD2-CE2 4.3Å; L651-F667 HydrophobicContact CD2-CG 3.43Å; L651-F667 VanDerWaalsContact CD2-CG 3.43Å; D663-F667 WeakPolarHBondContact O-CB 3.04Å; D663-F667 PolarHBondContact O-N 3.49Å; L664-F667 PolarHBondContact O-N 3.1Å; F667-E670 PolarHBondContact O-N 3.48Å; F667-S671 WeakPolarHBondContact O-CB 3.32Å; F667-S671 PolarHBondContact O-N 3.01Å; F667-S671 PolarHBondContact O-OG 2.91Å
668C74.3Confident77.5Confident18 Ų1876.2 Ų76.212%0.12239%0.39CS..Hα-helixtrans-63.4-41.9176.5-70.90000111.9L664 K666 S671 G672 E673 V675L664-C668 PolarHBondContact O-N 3.44Å; L664-C668 PolarHBondContact O-SG 3.08Å; K666-C668 PolarHBondContact O-N 2.74Å; C668-S671 PolarHBondContact O-N 3.33Å; C668-G672 PolarHBondContact O-N 3.23Å; C668-G672 VanDerWaalsContact O-N 3.17Å; C668-E673 CarbonylContact C-O 3.59Å; C668-E673 PolarHBondContact O-N 2.95Å; C668-E673 VanDerWaalsContact O-N 3.08Å; C668-V675 HydrophobicContact CB-CG2 4.36Å
669T75.6Confident76.9Confident107 Ų10775.7 Ų75.766%0.65640%0.395SS*.Hα-helixtrans-62.7-43.6177.9-53.80000111.6R665 K666 S671 G672R665-T669 WeakPolarHBondContact O-CB 3.43Å; R665-T669 PolarHBondContact O-N 2.92Å; R665-T669 PolarHBondContact O-OG1 3.48Å; K666-T669 PolarHBondContact O-N 2.89Å; T669-S671 VanDerWaalsContact C-N 3.35Å; T669-G672 PolarHBondContact O-N 2.84Å
670E77.3Confident76.5Confident130 Ų13076 Ų7661%0.60740%0.396SS*.Hα-helixtrans-69.9-30.2177.9-72.4176.6-178.600112.9K666 F667 G672K666-E670 WeakPolarHBondContact CE-OE1 3.28Å; K666-E670 WeakPolarHBondContact O-CG 3.36Å; K666-E670 PolarHBondContact O-N 3.36Å; F667-E670 PolarHBondContact O-N 3.48Å; E670-G672 VanDerWaalsContact C-N 3.29Å
671S74.7Confident76Confident65 Ų6578.5 Ų78.546%0.45541%0.406SS..Hα-helixtrans-79.3-10.4176.9-56.60000113.5F667 C668 T669 E673F667-S671 WeakPolarHBondContact O-CB 3.32Å; F667-S671 PolarHBondContact O-N 3.01Å; F667-S671 PolarHBondContact O-OG 2.91Å; C668-S671 PolarHBondContact O-N 3.33Å; T669-S671 VanDerWaalsContact C-N 3.35Å; S671-E673 VanDerWaalsContact C-N 3.31Å
672G69.6Low75.4Confident70 Ų7079.9 Ų79.972%0.72242%0.418SS*.THydrogen-bonded Turntrans77.911.9-176.300000114.5C668 T669 E670C668-G672 PolarHBondContact O-N 3.23Å; C668-G672 VanDerWaalsContact O-N 3.17Å; T669-G672 PolarHBondContact O-N 2.84Å; E670-G672 VanDerWaalsContact C-N 3.29Å
673E71.2Confident74.9Confident129 Ų12977.4 Ų77.460%0.60341%0.406SS*.  trans-93.9124.5177.4-68.2-171.2172.900110.6C668 S671 V675C668-E673 CarbonylContact C-O 3.59Å; C668-E673 PolarHBondContact O-N 2.95Å; C668-E673 VanDerWaalsContact O-N 3.08Å; S671-E673 VanDerWaalsContact C-N 3.31Å; E673-V675 PolarHBondContact O-N 2.87Å
674Y68.9Low74.6Confident231 Ų23176.9 Ų76.991%0.90640%0.404SS*.  trans-90.5101174.7-166-91.3000110.2
675V74.8Confident74.2Confident43 Ų4380.5 Ų80.526%0.26142%0.423SS..  trans-104.5133175.3-175.10000108.6C668 E673 V679 L680C668-V675 HydrophobicContact CB-CG2 4.36Å; E673-V675 PolarHBondContact O-N 2.87Å; V675-V679 HydrophobicContact CG1-CB 3.66Å; V675-V679 HydrophobicContact CG1-CG1 3.49Å; V675-V679 VanDerWaalsContact CG1-CG1 3.49Å; V675-L680 HydrophobicContact CB-CD2 4.09Å; V675-L680 HydrophobicContact CB-CG 4.26Å; V675-L680 HydrophobicContact CG1-CD2 3.88Å; V675-L680 HydrophobicContact CG1-CG 3.94Å
676S76.8Confident73.8Confident53 Ų5381.1 Ų81.137%0.37144%0.436SS..  trans-68150.6178.164.80000111.5E678 V679 L680S676-E678 PolarHBondContact O-N 2.87Å; S676-V679 PolarHBondContact O-N 3.08Å; S676-V679 VanDerWaalsContact OG-CG2 3.25Å; S676-V679 WeakPolarHBondContact OG-CG2 3.4Å; S676-L680 PolarHBondContact O-N 2.97Å
677E76.9Confident73.5Confident88 Ų8877.8 Ų77.841%0.41142%0.422SS..Hα-helixtrans-59-35.3-178.8-163.566.9-157.200112.2L661 R665 V679 L680 Q681L661-E677 WeakPolarHBondContact CD2-OE1 3.36Å; R665-E677 IonicContact CZ-OE1 3.54Å; R665-E677 IonicContact CZ-OE2 2.85Å; R665-E677 IonicContact NE-OE1 2.64Å; R665-E677 PolarHBondContact NE-OE1 3.47Å; R665-E677 IonicContact NE-OE2 3.95Å; R665-E677 PolarHBondContact NE-OE2 2.98Å; R665-E677 VanDerWaalsContact NE-OE2 3.08Å; R665-E677 IonicContact NH2-OE1 2.71Å; R665-E677 PolarHBondContact NH2-OE1 3.38Å; R665-E677 IonicContact NH2-OE2 3.64Å; E677-V679 VanDerWaalsContact C-N 3.29Å; E677-V679 PolarHBondContact O-N 3.43Å; E677-L680 PolarHBondContact O-N 3.41Å; E677-Q681 WeakPolarHBondContact O-CB 3.07Å; E677-Q681 PolarHBondContact O-N 3.27Å
678E72.7Confident73.2Confident163 Ų16374.5 Ų74.576%0.76241%0.408SS*.Hα-helixtrans-61.7-36.8174.7-64.1178.2179.800112.2S676 S682S676-E678 PolarHBondContact O-N 2.87Å; E678-S682 VanDerWaalsContact O-CB 3.29Å; E678-S682 WeakPolarHBondContact O-CB 3.19Å; E678-S682 PolarHBondContact O-N 2.86Å; E678-S682 PolarHBondContact O-OG 3.22Å
679V69.1Low72.8Confident66 Ų6677.5 Ų77.540%0.442%0.422SS..Hα-helixtrans-75-41.1178.3174.40000110.6V675 S676 E677 Q681 S682 T683V675-V679 HydrophobicContact CG1-CB 3.66Å; V675-V679 HydrophobicContact CG1-CG1 3.49Å; V675-V679 VanDerWaalsContact CG1-CG1 3.49Å; S676-V679 PolarHBondContact O-N 3.08Å; S676-V679 VanDerWaalsContact OG-CG2 3.25Å; S676-V679 WeakPolarHBondContact OG-CG2 3.4Å; E677-V679 VanDerWaalsContact C-N 3.29Å; E677-V679 PolarHBondContact O-N 3.43Å; V679-Q681 PolarHBondContact O-N 3.01Å; V679-S682 WeakPolarHBondContact CA-OG 3.46Å; V679-S682 PolarHBondContact O-N 3.31Å; V679-S682 PolarHBondContact O-OG 3.41Å; V679-T683 VanDerWaalsContact O-CB 3.32Å; V679-T683 WeakPolarHBondContact O-CB 3.28Å; V679-T683 PolarHBondContact O-N 2.97Å; V679-T683 PolarHBondContact O-OG1 3.46Å
680L74.4Confident72.3Confident9 Ų975.3 Ų75.35%0.04741%0.406CS..Hα-helixtrans-60.2-46.5173.9-67.3176.3000111.3L661 L664 R665 V675 S676 E677 T683 L684L661-L680 HydrophobicContact CD1-CB 3.88Å; L664-L680 HydrophobicContact CB-CD2 4.19Å; R665-L680 HydrophobicContact CB-CD1 4.05Å; R665-L680 HydrophobicContact CG-CD1 4.02Å; V675-L680 HydrophobicContact CB-CD2 4.09Å; V675-L680 HydrophobicContact CB-CG 4.26Å; V675-L680 HydrophobicContact CG1-CD2 3.88Å; V675-L680 HydrophobicContact CG1-CG 3.94Å; S676-L680 PolarHBondContact O-N 2.97Å; E677-L680 PolarHBondContact O-N 3.41Å; L680-T683 PolarHBondContact O-N 3.19Å; L680-L684 PolarHBondContact O-N 3.29Å
681Q73.4Confident71.9Confident71 Ų7176.7 Ų76.733%0.33241%0.41SS..Hα-helixtrans-65.9-42.8178.9-170.566.660.200112.1L661 E677 V679 T683 L684 N685L661-Q681 HydrophobicContact CD1-CB 4.43Å; E677-Q681 WeakPolarHBondContact O-CB 3.07Å; E677-Q681 PolarHBondContact O-N 3.27Å; V679-Q681 PolarHBondContact O-N 3.01Å; Q681-T683 VanDerWaalsContact C-N 3.32Å; Q681-T683 PolarHBondContact O-N 2.92Å; Q681-L684 PolarHBondContact O-N 3.14Å; Q681-N685 PolarHBondContact NE2-OD1 3.28Å; Q681-N685 VanDerWaalsContact O-CB 3.29Å; Q681-N685 WeakPolarHBondContact O-CB 3.41Å; Q681-N685 PolarHBondContact O-N 2.84Å; Q681-N685 PolarHBondContact O-ND2 3.42Å; Q681-N685 PolarHBondContact O-OD1 3.46Å
682S70Confident71.6Confident56 Ų5675.8 Ų75.839%0.39240%0.4SS..Hα-helixtrans-65.9-35.5176.360.40000112.1E678 V679 T686E678-S682 VanDerWaalsContact O-CB 3.29Å; E678-S682 WeakPolarHBondContact O-CB 3.19Å; E678-S682 PolarHBondContact O-N 2.86Å; E678-S682 PolarHBondContact O-OG 3.22Å; V679-S682 WeakPolarHBondContact CA-OG 3.46Å; V679-S682 PolarHBondContact O-N 3.31Å; V679-S682 PolarHBondContact O-OG 3.41Å; S682-T686 WeakPolarHBondContact O-CB 3.29Å; S682-T686 PolarHBondContact O-N 2.93Å; S682-T686 PolarHBondContact O-OG1 3.46Å
683T71.8Confident71.8Confident48 Ų4874.2 Ų74.229%0.29438%0.384SS..Hα-helixtrans-64.4-49.8174.4-56.90000110.8V679 L680 Q681 N685 T686 M687V679-T683 VanDerWaalsContact O-CB 3.32Å; V679-T683 WeakPolarHBondContact O-CB 3.28Å; V679-T683 PolarHBondContact O-N 2.97Å; V679-T683 PolarHBondContact O-OG1 3.46Å; L680-T683 PolarHBondContact O-N 3.19Å; Q681-T683 VanDerWaalsContact C-N 3.32Å; Q681-T683 PolarHBondContact O-N 2.92Å; T683-N685 PolarHBondContact O-N 2.9Å; T683-T686 WeakPolarHBondContact O-CB 3.44Å; T683-T686 PolarHBondContact O-N 2.91Å; T683-M687 HydrophobicContact CG2-CE 3.81Å; T683-M687 HydrophobicContact CG2-SD 4.15Å; T683-M687 WeakPolarHBondContact O-CG 3.35Å; T683-M687 PolarHBondContact O-N 2.71Å
684L75.7Confident72.3Confident3 Ų371.2 Ų71.22%0.01637%0.37CS..Hα-helixtrans-59-49176.1-169.882.8000110.8L661 L664 L680 Q681 T686 M687 D688 V695L661-L684 HydrophobicContact CB-CD2 3.96Å; L661-L684 HydrophobicContact CD1-CB 4.38Å; L661-L684 HydrophobicContact CD1-CD2 4.3Å; L664-L684 HydrophobicContact CD1-CB 4.03Å; L664-L684 HydrophobicContact CD1-CD1 3.73Å; L680-L684 PolarHBondContact O-N 3.29Å; Q681-L684 PolarHBondContact O-N 3.14Å; L684-T686 PolarHBondContact O-N 3.03Å; L684-M687 CarbonylContact O-C 3.54Å; L684-M687 WeakPolarHBondContact O-CA 3.37Å; L684-M687 PolarHBondContact O-N 3.44Å; L684-D688 WeakPolarHBondContact O-CB 3.39Å; L684-D688 PolarHBondContact O-N 2.98Å; L684-V695 HydrophobicContact CD1-CG2 3.63Å; L684-V695 HydrophobicContact CG-CG2 4.34Å
685N71.2Confident72.8Confident92 Ų9260.3 Ų60.349%0.49233%0.327SS..Hα-helixtrans-62.5-27.1179.1-69-7.5000113.3Q681 T683Q681-N685 PolarHBondContact NE2-OD1 3.28Å; Q681-N685 VanDerWaalsContact O-CB 3.29Å; Q681-N685 WeakPolarHBondContact O-CB 3.41Å; Q681-N685 PolarHBondContact O-N 2.84Å; Q681-N685 PolarHBondContact O-ND2 3.42Å; Q681-N685 PolarHBondContact O-OD1 3.46Å; T683-N685 PolarHBondContact O-N 2.9Å
686T71.4Confident73.1Confident97 Ų9760.7 Ų60.760%0.59533%0.328SS*.Hα-helixtrans-75.8-33.4174.6-57.30000110.9S682 T683 L684S682-T686 WeakPolarHBondContact O-CB 3.29Å; S682-T686 PolarHBondContact O-N 2.93Å; S682-T686 PolarHBondContact O-OG1 3.46Å; T683-T686 WeakPolarHBondContact O-CB 3.44Å; T683-T686 PolarHBondContact O-N 2.91Å; L684-T686 PolarHBondContact O-N 3.03Å
687M74.1Confident73Confident21 Ų2160.5 Ų60.510%0.10332%0.322CS..Hα-helixtrans-83.8-36.9-179.6-70.6-178.9-179.700114.1T683 L684 I689 V695 E699 F700 V703T683-M687 HydrophobicContact CG2-CE 3.81Å; T683-M687 HydrophobicContact CG2-SD 4.15Å; T683-M687 WeakPolarHBondContact O-CG 3.35Å; T683-M687 PolarHBondContact O-N 2.71Å; L684-M687 CarbonylContact O-C 3.54Å; L684-M687 WeakPolarHBondContact O-CA 3.37Å; L684-M687 PolarHBondContact O-N 3.44Å; M687-I689 PolarHBondContact O-N 3.43Å; M687-V695 HydrophobicContact CB-CB 4.35Å; M687-V695 HydrophobicContact CB-CG1 3.91Å; M687-V695 HydrophobicContact CB-CG2 3.43Å; M687-V695 VanDerWaalsContact CB-CG2 3.43Å; M687-E699 WeakPolarHBondContact O-CB 3.47Å; M687-F700 HydrophobicContact SD-CD2 4.46Å; M687-V703 HydrophobicContact CB-CG2 4.2Å; M687-V703 HydrophobicContact CE-CG1 4.25Å; M687-V703 HydrophobicContact CG-CB 3.93Å; M687-V703 HydrophobicContact CG-CG1 3.76Å; M687-V703 HydrophobicContact CG-CG2 4.03Å
688D73.5Confident72.4Confident5 Ų558.5 Ų58.53%0.02732%0.318CS..  trans-8180.3-178174.817000109.8L684 N690 K691 N692 G693 V695L684-D688 WeakPolarHBondContact O-CB 3.39Å; L684-D688 PolarHBondContact O-N 2.98Å; D688-N690 VanDerWaalsContact C-N 3.31Å; D688-N690 PolarHBondContact OD1-OD1 3.34Å; D688-K691 VanDerWaalsContact CG-CA 3.45Å; D688-K691 PolarHBondContact O-N 3.24Å; D688-K691 WeakPolarHBondContact OD1-CA 3.41Å; D688-K691 PolarHBondContact OD1-N 3.27Å; D688-K691 VanDerWaalsContact OD2-C 3.31Å; D688-K691 VanDerWaalsContact OD2-CA 3.29Å; D688-K691 WeakPolarHBondContact OD2-CA 3.29Å; D688-N692 PolarHBondContact OD1-N 3.33Å; D688-N692 PolarHBondContact OD2-N 2.92Å; D688-N692 VanDerWaalsContact OD2-N 3.15Å; D688-G693 VanDerWaalsContact OD2-CA 3.23Å; D688-G693 WeakPolarHBondContact OD2-CA 3.26Å; D688-G693 PolarHBondContact OD2-N 3.44Å; D688-V695 HydrophobicContact CB-CG2 4.11Å
689I66.4Low72.5Confident81 Ų8151.1 Ų51.142%0.41528%0.284SS..THydrogen-bonded Turntrans-67.4-37-174.9-64.6167.7000110.3M687 K691 E699 Q702 V703M687-I689 PolarHBondContact O-N 3.43Å; I689-K691 VanDerWaalsContact C-N 3.26Å; I689-K691 PolarHBondContact O-N 2.88Å; I689-E699 HydrophobicContact CB-CG 4.46Å; I689-E699 PolarHBondContact N-OE1 3.49Å; I689-Q702 HydrophobicContact CD1-CB 3.96Å; I689-Q702 HydrophobicContact CD1-CG 3.63Å; I689-V703 HydrophobicContact CD1-CG2 4.43Å
690N64.3Low72.8Confident61 Ų6148.5 Ų48.533%0.32627%0.267SS..THydrogen-bonded Turntrans-81.4-7.4178.974.145.8000113D688 N692 E699D688-N690 VanDerWaalsContact C-N 3.31Å; D688-N690 PolarHBondContact OD1-OD1 3.34Å; N690-N692 PolarHBondContact ND2-ND2 3.39Å; N690-N692 VanDerWaalsContact ND2-ND2 3.12Å; N690-N692 WeakPolarHBondContact OD1-CB 3.47Å; N690-N692 PolarHBondContact OD1-N 3.25Å; N690-N692 PolarHBondContact OD1-ND2 3.43Å; N690-E699 WeakPolarHBondContact CB-OE1 3.18Å; N690-E699 PolarHBondContact N-OE1 2.88Å; N690-E699 VanDerWaalsContact ND2-CD 3.27Å; N690-E699 PolarHBondContact ND2-OE1 2.9Å; N690-E699 PolarHBondContact ND2-OE2 3.41Å
691K69.4Low72.6Confident158 Ų15849.3 Ų49.369%0.68727%0.271SS*.  trans6038.3177.4-57.5-175.2179.1179.60113.6D688 I689D688-K691 VanDerWaalsContact CG-CA 3.45Å; D688-K691 PolarHBondContact O-N 3.24Å; D688-K691 WeakPolarHBondContact OD1-CA 3.41Å; D688-K691 PolarHBondContact OD1-N 3.27Å; D688-K691 VanDerWaalsContact OD2-C 3.31Å; D688-K691 VanDerWaalsContact OD2-CA 3.29Å; D688-K691 WeakPolarHBondContact OD2-CA 3.29Å; I689-K691 VanDerWaalsContact C-N 3.26Å; I689-K691 PolarHBondContact O-N 2.88Å
692N68.8Low72.3Confident46 Ų4647.8 Ų47.825%0.24626%0.264CS..SBendtrans-89.1-5.6178.873.326.6000113.7R408 D688 N690 Q694R408-N692 PolarHBondContact NH1-O 3.5Å; D688-N692 PolarHBondContact OD1-N 3.33Å; D688-N692 PolarHBondContact OD2-N 2.92Å; D688-N692 VanDerWaalsContact OD2-N 3.15Å; N690-N692 PolarHBondContact ND2-ND2 3.39Å; N690-N692 VanDerWaalsContact ND2-ND2 3.12Å; N690-N692 WeakPolarHBondContact OD1-CB 3.47Å; N690-N692 PolarHBondContact OD1-N 3.25Å; N690-N692 PolarHBondContact OD1-ND2 3.43Å; N692-Q694 VanDerWaalsContact OD1-CA 3.28Å; N692-Q694 WeakPolarHBondContact OD1-CA 3.16Å; N692-Q694 VanDerWaalsContact OD1-CB 3.25Å; N692-Q694 WeakPolarHBondContact OD1-CB 3.29Å; N692-Q694 PolarHBondContact OD1-N 3.49Å; N692-Q694 PolarHBondContact OD1-O 2.9Å
693G73.5Confident72.2Confident37 Ų3745.9 Ų45.938%0.38125%0.25SC..SBendtrans89.17.8-176.200000114.5D688D688-G693 VanDerWaalsContact OD2-CA 3.23Å; D688-G693 WeakPolarHBondContact OD2-CA 3.26Å; D688-G693 PolarHBondContact OD2-N 3.44Å
694Q81.3Confident71.9Confident67 Ų6745.2 Ų45.231%0.31324%0.244SC..EExtended strand (participates in β ladder)trans-143.5147.8-175.5-55.7175-11.700108.6Y658 V659 N692 E699Y658-Q694 HydrophobicContact CD2-CB 3.75Å; Y658-Q694 VanDerWaalsContact CD2-CD 3.42Å; Y658-Q694 HydrophobicContact CD2-CG 3.74Å; Y658-Q694 HydrophobicContact CE2-CB 4.47Å; Y658-Q694 HydrophobicContact CE2-CG 3.96Å; Y658-Q694 HydrophobicContact CG-CB 4.14Å; Y658-Q694 HydrophobicContact CG-CG 4.45Å; V659-Q694 CarbonylContact O-C 3.27Å; V659-Q694 WeakPolarHBondContact O-CA 3.35Å; N692-Q694 VanDerWaalsContact OD1-CA 3.28Å; N692-Q694 WeakPolarHBondContact OD1-CA 3.16Å; N692-Q694 VanDerWaalsContact OD1-CB 3.25Å; N692-Q694 WeakPolarHBondContact OD1-CB 3.29Å; N692-Q694 PolarHBondContact OD1-N 3.49Å; N692-Q694 PolarHBondContact OD1-O 2.9Å; Q694-E699 VanDerWaalsContact O-OE2 3.13Å
695V80.4Confident71Confident1 Ų148.1 Ų48.11%0.00626%0.255CS..EExtended strand (participates in β ladder)trans-107.9106.9178.7179.20000107.6Y658 V659 L684 M687 D688 E699 F700Y658-V695 CarbonylContact C-O 3.54Å; Y658-V695 WeakPolarHBondContact CA-O 3.35Å; V659-V695 HydrophobicContact CB-CB 4.37Å; V659-V695 PolarHBondContact N-O 2.82Å; V659-V695 PolarHBondContact O-N 2.55Å; L684-V695 HydrophobicContact CD1-CG2 3.63Å; L684-V695 HydrophobicContact CG-CG2 4.34Å; M687-V695 HydrophobicContact CB-CB 4.35Å; M687-V695 HydrophobicContact CB-CG1 3.91Å; M687-V695 HydrophobicContact CB-CG2 3.43Å; M687-V695 VanDerWaalsContact CB-CG2 3.43Å; D688-V695 HydrophobicContact CB-CG2 4.11Å; V695-E699 WeakPolarHBondContact CA-OE2 3.18Å; V695-E699 HydrophobicContact CG1-CB 3.74Å; V695-F700 HydrophobicContact CG1-CB 3.85Å
696D79.6Confident70.4Confident52 Ų5247.3 Ų47.328%0.27826%0.257SS..EExtended strand (participates in β ladder)trans-72.4170.8172.274.538.9000111.7S698 E699 F700D696-S698 PolarHBondContact O-N 3.21Å; D696-S698 VanDerWaalsContact OD1-CA 3.27Å; D696-S698 WeakPolarHBondContact OD1-CA 3.38Å; D696-S698 WeakPolarHBondContact OD1-CB 3.38Å; D696-S698 PolarHBondContact OD1-N 2.85Å; D696-S698 PolarHBondContact OD1-OG 3.49Å; D696-E699 PolarHBondContact N-OE2 2.91Å; D696-E699 PolarHBondContact O-N 3.24Å; D696-E699 PolarHBondContact OD1-N 3.01Å; D696-F700 WeakPolarHBondContact O-CB 3.34Å; D696-F700 PolarHBondContact O-N 3.23Å
697M74.7Confident69.9Low48 Ų4847.4 Ų47.424%0.23625%0.25CS..Hα-helixtrans-54.7-36.5179.2179.566.183.400112.5L645 F648 L701L645-M697 HydrophobicContact CD2-CE 3.41Å; L645-M697 VanDerWaalsContact CD2-CE 3.41Å; L645-M697 HydrophobicContact CD2-CG 4.42Å; L645-M697 HydrophobicContact CD2-SD 3.7Å; F648-M697 HydrophobicContact CB-CE 3.75Å; F648-M697 HydrophobicContact CB-SD 3.66Å; F648-M697 HydrophobicContact CD1-CE 3.17Å; F648-M697 HydrophobicContact CD1-SD 3.76Å; F648-M697 HydrophobicContact CD2-CE 4.45Å; F648-M697 HydrophobicContact CD2-SD 3.94Å; F648-M697 HydrophobicContact CE1-CB 4.27Å; F648-M697 HydrophobicContact CE1-CE 3.81Å; F648-M697 HydrophobicContact CE1-SD 4.34Å; F648-M697 HydrophobicContact CE2-CB 4.33Å; F648-M697 HydrophobicContact CE2-SD 4.49Å; F648-M697 HydrophobicContact CG-CE 3.53Å; F648-M697 HydrophobicContact CG-SD 3.49Å; F648-M697 WeakPolarHBondContact CG-SD 3.3Å; F648-M697 HydrophobicContact CZ-CB 4.09Å; M697-L701 HydrophobicContact CG-CD1 4.05Å; M697-L701 HydrophobicContact CG-CG 4.49Å; M697-L701 WeakPolarHBondContact O-CB 3.14Å; M697-L701 WeakPolarHBondContact O-CG 3.27Å; M697-L701 PolarHBondContact O-N 3.28Å; M697-L701 HydrophobicContact SD-CD1 4.38Å; M697-L701 HydrophobicContact SD-CG 4.36Å
698S65.9Low68.8Low47 Ų4749.1 Ų49.133%0.32926%0.26SS..Hα-helixtrans-70.5-43.7-177.2-40.50000111.1D696 L701 Q702D696-S698 PolarHBondContact O-N 3.21Å; D696-S698 VanDerWaalsContact OD1-CA 3.27Å; D696-S698 WeakPolarHBondContact OD1-CA 3.38Å; D696-S698 WeakPolarHBondContact OD1-CB 3.38Å; D696-S698 PolarHBondContact OD1-N 2.85Å; D696-S698 PolarHBondContact OD1-OG 3.49Å; S698-L701 PolarHBondContact O-N 3.23Å; S698-Q702 WeakPolarHBondContact O-CB 3.28Å; S698-Q702 PolarHBondContact O-N 2.81Å
699E73Confident67.7Low8 Ų851.6 Ų51.64%0.03727%0.272CS..Hα-helixtrans-62.3-43.7175.2-73.1179.8134.400111.9M687 I689 N690 Q694 V695 D696 L701 Q702 V703M687-E699 WeakPolarHBondContact O-CB 3.47Å; I689-E699 HydrophobicContact CB-CG 4.46Å; I689-E699 PolarHBondContact N-OE1 3.49Å; N690-E699 WeakPolarHBondContact CB-OE1 3.18Å; N690-E699 PolarHBondContact N-OE1 2.88Å; N690-E699 VanDerWaalsContact ND2-CD 3.27Å; N690-E699 PolarHBondContact ND2-OE1 2.9Å; N690-E699 PolarHBondContact ND2-OE2 3.41Å; Q694-E699 VanDerWaalsContact O-OE2 3.13Å; V695-E699 WeakPolarHBondContact CA-OE2 3.18Å; V695-E699 HydrophobicContact CG1-CB 3.74Å; D696-E699 PolarHBondContact N-OE2 2.91Å; D696-E699 PolarHBondContact O-N 3.24Å; D696-E699 PolarHBondContact OD1-N 3.01Å; E699-L701 PolarHBondContact O-N 3.47Å; E699-Q702 WeakPolarHBondContact O-CB 3.21Å; E699-Q702 PolarHBondContact O-N 2.81Å; E699-Q702 VanDerWaalsContact O-N 3.16Å; E699-V703 PolarHBondContact O-N 3.4Å; E699-V703 VanDerWaalsContact O-N 3.1Å
700F77.4Confident67.1Low10 Ų1056.2 Ų56.24%0.04429%0.285CS..Hα-helixtrans-59.6-45.7176.3-174.2-104.4000112.2F648 L651 M687 V695 D696 Q702 L704F648-F700 HydrophobicContact CB-CD1 3.77Å; F648-F700 HydrophobicContact CB-CE1 3.71Å; F648-F700 HydrophobicContact CB-CG 4.5Å; F648-F700 HydrophobicContact CB-CZ 4.43Å; F648-F700 HydrophobicContact CD2-CB 3.58Å; F648-F700 AromaticContact CD2-CD1 3.6Å; F648-F700 HydrophobicContact CD2-CD1 3.6Å; F648-F700 HydrophobicContact CD2-CD2 4.05Å; F648-F700 HydrophobicContact CD2-CE1 4.2Å; F648-F700 AromaticContact CD2-CG 3.49Å; F648-F700 HydrophobicContact CD2-CG 3.49Å; F648-F700 VanDerWaalsContact CD2-CG 3.49Å; F648-F700 HydrophobicContact CE2-CB 3.86Å; F648-F700 HydrophobicContact CE2-CG 4.21Å; F648-F700 HydrophobicContact CG-CD1 4.17Å; F648-F700 HydrophobicContact CG-CE1 4.49Å; F648-F700 HydrophobicContact CG-CG 4.47Å; L651-F700 HydrophobicContact CD1-CD2 4.31Å; L651-F700 HydrophobicContact CD1-CE2 3.34Å; L651-F700 HydrophobicContact CD1-CZ 3.66Å; M687-F700 HydrophobicContact SD-CD2 4.46Å; V695-F700 HydrophobicContact CG1-CB 3.85Å; D696-F700 WeakPolarHBondContact O-CB 3.34Å; D696-F700 PolarHBondContact O-N 3.23Å; F700-Q702 VanDerWaalsContact C-N 3.31Å; F700-Q702 PolarHBondContact O-N 2.81Å; F700-L704 HydrophobicContact CD1-CD1 3.75Å; F700-L704 HydrophobicContact CD2-CD1 4.35Å; F700-L704 HydrophobicContact CE1-CD1 3.26Å; F700-L704 HydrophobicContact CE2-CD1 3.9Å; F700-L704 HydrophobicContact CG-CD1 4.29Å; F700-L704 HydrophobicContact CZ-CD1 3.36Å; F700-L704 HydrophobicContact CZ-CG 4.49Å; F700-L704 PolarHBondContact O-N 3.38Å
701L69.5Low66.4Low26 Ų2658 Ų5814%0.13629%0.292CS..Hα-helixtrans-63.4-37.5176.1-71.9172000112M634 L644 M697 S698 E699 R705M634-L701 HydrophobicContact CE-CB 3.89Å; M634-L701 HydrophobicContact CE-CD1 4.31Å; L644-L701 HydrophobicContact CB-CD2 3.59Å; L644-L701 HydrophobicContact CD1-CD2 3.77Å; L644-L701 HydrophobicContact CG-CD2 4.27Å; M697-L701 HydrophobicContact CG-CD1 4.05Å; M697-L701 HydrophobicContact CG-CG 4.49Å; M697-L701 WeakPolarHBondContact O-CB 3.14Å; M697-L701 WeakPolarHBondContact O-CG 3.27Å; M697-L701 PolarHBondContact O-N 3.28Å; M697-L701 HydrophobicContact SD-CD1 4.38Å; M697-L701 HydrophobicContact SD-CG 4.36Å; S698-L701 PolarHBondContact O-N 3.23Å; E699-L701 PolarHBondContact O-N 3.47Å; L701-R705 WeakPolarHBondContact O-CB 3.19Å; L701-R705 PolarHBondContact O-N 3.45Å; L701-R705 VanDerWaalsContact O-N 3.11Å
702Q66.2Low65.4Low40 Ų4054.6 Ų54.619%0.18728%0.281CS..Hα-helixtrans-67.1-41.8-178.2-173.4166.7-4.200112.7V632 I689 S698 E699 F700 S706V632-Q702 HydrophobicContact CG2-CG 4.13Å; I689-Q702 HydrophobicContact CD1-CB 3.96Å; I689-Q702 HydrophobicContact CD1-CG 3.63Å; S698-Q702 WeakPolarHBondContact O-CB 3.28Å; S698-Q702 PolarHBondContact O-N 2.81Å; E699-Q702 WeakPolarHBondContact O-CB 3.21Å; E699-Q702 PolarHBondContact O-N 2.81Å; E699-Q702 VanDerWaalsContact O-N 3.16Å; F700-Q702 VanDerWaalsContact C-N 3.31Å; F700-Q702 PolarHBondContact O-N 2.81Å; Q702-S706 PolarHBondContact O-N 3.5Å; Q702-S706 PolarHBondContact O-OG 2.71Å
703V67.6Low64.5Low15 Ų1556.7 Ų56.79%0.09129%0.292CS..Hα-helixtrans-74.7-41.6179.8175.10000112.4M687 I689 E699 R705 S706 Q707M687-V703 HydrophobicContact CB-CG2 4.2Å; M687-V703 HydrophobicContact CE-CG1 4.25Å; M687-V703 HydrophobicContact CG-CB 3.93Å; M687-V703 HydrophobicContact CG-CG1 3.76Å; M687-V703 HydrophobicContact CG-CG2 4.03Å; I689-V703 HydrophobicContact CD1-CG2 4.43Å; E699-V703 PolarHBondContact O-N 3.4Å; E699-V703 VanDerWaalsContact O-N 3.1Å; V703-R705 VanDerWaalsContact C-N 3.28Å; V703-R705 PolarHBondContact O-N 2.81Å; V703-S706 WeakPolarHBondContact O-CB 3.47Å; V703-S706 PolarHBondContact O-N 3.42Å; V703-S706 VanDerWaalsContact O-N 3.11Å; V703-Q707 PolarHBondContact O-N 2.78Å
704L65.9Low63.5Low35 Ų3556.9 Ų56.918%0.18329%0.287CS..Hα-helixtrans-66.1-30.9178-71.8177.3000112.4L644 F700 Q707 L708L644-L704 HydrophobicContact CD2-CB 3.82Å; L644-L704 HydrophobicContact CD2-CD1 3.51Å; L644-L704 HydrophobicContact CD2-CG 4.3Å; F700-L704 HydrophobicContact CD1-CD1 3.75Å; F700-L704 HydrophobicContact CD2-CD1 4.35Å; F700-L704 HydrophobicContact CE1-CD1 3.26Å; F700-L704 HydrophobicContact CE2-CD1 3.9Å; F700-L704 HydrophobicContact CG-CD1 4.29Å; F700-L704 HydrophobicContact CZ-CD1 3.36Å; F700-L704 HydrophobicContact CZ-CG 4.49Å; F700-L704 PolarHBondContact O-N 3.38Å; L704-Q707 PolarHBondContact O-N 2.78Å; L704-L708 WeakPolarHBondContact O-CB 3.35Å; L704-L708 PolarHBondContact O-N 2.75Å
705R57.8Low61.9Low64 Ų6461.8 Ų61.824%0.24230%0.303CS..Hα-helixtrans-61.1-46.6169.4-179-177.6177.9-99.32.9111.9R633 L701 V703 Q707 L708 I709R633-R705 PolarHBondContact O-NH2 3.08Å; L701-R705 WeakPolarHBondContact O-CB 3.19Å; L701-R705 PolarHBondContact O-N 3.45Å; L701-R705 VanDerWaalsContact O-N 3.11Å; V703-R705 VanDerWaalsContact C-N 3.28Å; V703-R705 PolarHBondContact O-N 2.81Å; R705-Q707 PolarHBondContact O-N 3.15Å; R705-L708 PolarHBondContact O-N 3.36Å; R705-L708 VanDerWaalsContact O-N 3.1Å; R705-I709 HydrophobicContact CG-CD1 3.73Å; R705-I709 HydrophobicContact CG-CG1 4.19Å; R705-I709 WeakPolarHBondContact O-CG1 3.47Å; R705-I709 PolarHBondContact O-N 2.59Å
706S58.6Low60.2Low75 Ų7566.4 Ų66.452%0.52433%0.328SS..Hα-helixtrans-57.6-38.9178.9-64.10000111.4Q702 V703 Y710Q702-S706 PolarHBondContact O-N 3.5Å; Q702-S706 PolarHBondContact O-OG 2.71Å; V703-S706 WeakPolarHBondContact O-CB 3.47Å; V703-S706 PolarHBondContact O-N 3.42Å; V703-S706 VanDerWaalsContact O-N 3.11Å; S706-Y710 WeakPolarHBondContact O-CB 3.22Å; S706-Y710 PolarHBondContact O-N 2.77Å
707Q59.8Low58.5Low99 Ų9969.4 Ų69.446%0.46334%0.343SS..Hα-helixtrans-69-43.7173.2-69-176.1-13.100112.7V703 L704 R705 I709 Y710 Q711V703-Q707 PolarHBondContact O-N 2.78Å; L704-Q707 PolarHBondContact O-N 2.78Å; R705-Q707 PolarHBondContact O-N 3.15Å; Q707-I709 PolarHBondContact O-N 2.92Å; Q707-Y710 WeakPolarHBondContact O-CB 3.07Å; Q707-Y710 PolarHBondContact O-N 2.76Å; Q707-Q711 WeakPolarHBondContact O-CG 3.37Å; Q707-Q711 PolarHBondContact O-N 3.46Å
708L52.5Low57.1Low57 Ų5773 Ų7330%0.29836%0.364SS..Hα-helixtrans-62.6-43.1178.6-158.386.8000111.6L636 L704 R705 Q711 L712L636-L708 HydrophobicContact CD2-CD2 4.1Å; L704-L708 WeakPolarHBondContact O-CB 3.35Å; L704-L708 PolarHBondContact O-N 2.75Å; R705-L708 PolarHBondContact O-N 3.36Å; R705-L708 VanDerWaalsContact O-N 3.1Å; L708-Q711 PolarHBondContact O-N 3.03Å; L708-L712 HydrophobicContact CD2-CD1 4.37Å; L708-L712 HydrophobicContact CG-CD1 4.4Å; L708-L712 WeakPolarHBondContact O-CB 3.44Å; L708-L712 VanDerWaalsContact O-CG 3.31Å; L708-L712 WeakPolarHBondContact O-CG 3.44Å; L708-L712 PolarHBondContact O-N 2.87Å
709I50.5Low55.9Low57 Ų5779.1 Ų79.129%0.29238%0.384SS..Hα-helixtrans-64-43.1175.3-69.7174.5000110.7R705 Q707 Q711 L712 N713R705-I709 HydrophobicContact CG-CD1 3.73Å; R705-I709 HydrophobicContact CG-CG1 4.19Å; R705-I709 WeakPolarHBondContact O-CG1 3.47Å; R705-I709 PolarHBondContact O-N 2.59Å; Q707-I709 PolarHBondContact O-N 2.92Å; I709-Q711 VanDerWaalsContact C-N 3.3Å; I709-Q711 PolarHBondContact O-N 3.21Å; I709-L712 PolarHBondContact O-N 3.24Å; I709-N713 WeakPolarHBondContact O-CB 3.21Å; I709-N713 VanDerWaalsContact O-CG 3.28Å; I709-N713 PolarHBondContact O-N 3.4Å; I709-N713 PolarHBondContact O-ND2 3.43Å
710Y51.9Low54.3Low177 Ų17787.2 Ų87.269%0.69442%0.422SS*.Hα-helixtrans-60-41.5174.7-177.3-94.9000111.7S706 Q707 S714S706-Y710 WeakPolarHBondContact O-CB 3.22Å; S706-Y710 PolarHBondContact O-N 2.77Å; Q707-Y710 WeakPolarHBondContact O-CB 3.07Å; Q707-Y710 PolarHBondContact O-N 2.76Å; Y710-S714 WeakPolarHBondContact O-CB 3.48Å; Y710-S714 PolarHBondContact O-N 2.82Å; Y710-S714 PolarHBondContact O-OG 2.96Å
711Q50.8Low52.4Low100 Ų10095.3 Ų95.347%0.46747%0.472SS..Hα-helixtrans-67.6-39175.3-73.1-178.24.400113.2Q707 L708 I709 S714 R715Q707-Q711 WeakPolarHBondContact O-CG 3.37Å; Q707-Q711 PolarHBondContact O-N 3.46Å; L708-Q711 PolarHBondContact O-N 3.03Å; I709-Q711 VanDerWaalsContact C-N 3.3Å; I709-Q711 PolarHBondContact O-N 3.21Å; Q711-S714 VanDerWaalsContact CA-OG 3.25Å; Q711-S714 WeakPolarHBondContact CA-OG 3.5Å; Q711-S714 PolarHBondContact O-OG 3.09Å; Q711-R715 WeakPolarHBondContact O-CB 3.38Å; Q711-R715 WeakPolarHBondContact O-CG 3.44Å; Q711-R715 PolarHBondContact O-N 3.22Å
712L48Very low51.6Low85 Ų8598.8 Ų98.845%0.44549%0.489SS..Hα-helixtrans-68.4-41.4176.3-74.2167.8000111.6L708 I709 R715 N716L708-L712 HydrophobicContact CD2-CD1 4.37Å; L708-L712 HydrophobicContact CG-CD1 4.4Å; L708-L712 WeakPolarHBondContact O-CB 3.44Å; L708-L712 VanDerWaalsContact O-CG 3.31Å; L708-L712 WeakPolarHBondContact O-CG 3.44Å; L708-L712 PolarHBondContact O-N 2.87Å; I709-L712 PolarHBondContact O-N 3.24Å; L712-R715 PolarHBondContact O-N 3.48Å; L712-N716 PolarHBondContact O-N 2.82Å
713N49.9Very low50.8Low90 Ų90101.9 Ų101.948%0.48151%0.505SS..Hα-helixtrans-67.1-41.7177.1-73.9-17.8000111.7I709 N716 L717I709-N713 WeakPolarHBondContact O-CB 3.21Å; I709-N713 VanDerWaalsContact O-CG 3.28Å; I709-N713 PolarHBondContact O-N 3.4Å; I709-N713 PolarHBondContact O-ND2 3.43Å; N713-N716 PolarHBondContact O-N 3.19Å; N713-L717 WeakPolarHBondContact O-CD1 3.47Å; N713-L717 PolarHBondContact O-N 3.12Å
714S52.7Low49.9Very low41 Ų41106.7 Ų106.729%0.28753%0.528SS..Hα-helixtrans-63.9-41.3174.746.20000112.3Y710 Q711 N716 L717 D718Y710-S714 WeakPolarHBondContact O-CB 3.48Å; Y710-S714 PolarHBondContact O-N 2.82Å; Y710-S714 PolarHBondContact O-OG 2.96Å; Q711-S714 VanDerWaalsContact CA-OG 3.25Å; Q711-S714 WeakPolarHBondContact CA-OG 3.5Å; Q711-S714 PolarHBondContact O-OG 3.09Å; S714-N716 VanDerWaalsContact C-N 3.31Å; S714-N716 PolarHBondContact O-N 2.97Å; S714-L717 WeakPolarHBondContact O-CB 3.32Å; S714-L717 PolarHBondContact O-N 3.21Å; S714-D718 PolarHBondContact O-N 3.43Å; S714-D718 VanDerWaalsContact O-N 3.12Å
715R47.9Very low49Very low170 Ų170110.9 Ų110.964%0.64255%0.548SS*.Hα-helixtrans-64.9-29.8174.2-76.7-180178.3-176.12.2114.3Q711 L712Q711-R715 WeakPolarHBondContact O-CB 3.38Å; Q711-R715 WeakPolarHBondContact O-CG 3.44Å; Q711-R715 PolarHBondContact O-N 3.22Å; L712-R715 PolarHBondContact O-N 3.48Å
716N44.7Very low48.4Very low98 Ų98113.9 Ų113.952%0.52457%0.567SS.*Hα-helixtrans-77.8-31.7175.6-79.9-25000112.4L712 N713 S714 D718 K719L712-N716 PolarHBondContact O-N 2.82Å; N713-N716 PolarHBondContact O-N 3.19Å; S714-N716 VanDerWaalsContact C-N 3.31Å; S714-N716 PolarHBondContact O-N 2.97Å; N716-D718 VanDerWaalsContact C-N 3.33Å; N716-K719 PolarHBondContact O-N 3.49Å
717L43.5Very low47.7Very low115 Ų115116.5 Ų116.560%0.60257%0.57SS**Hα-helixtrans-62.6-40.6170.3-87.6147.3000111.3N713 S714 K719 Q720N713-L717 WeakPolarHBondContact O-CD1 3.47Å; N713-L717 PolarHBondContact O-N 3.12Å; S714-L717 WeakPolarHBondContact O-CB 3.32Å; S714-L717 PolarHBondContact O-N 3.21Å; L717-K719 PolarHBondContact O-N 3.32Å; L717-Q720 PolarHBondContact O-N 3.43Å
718D45.5Very low46.9Very low125 Ų125117.7 Ų117.767%0.66858%0.577SS**THydrogen-bonded Turntrans-69.6-12177.5-71.4-21.5000114.4S714 N716S714-D718 PolarHBondContact O-N 3.43Å; S714-D718 VanDerWaalsContact O-N 3.12Å; N716-D718 VanDerWaalsContact C-N 3.33Å
719K41.6Very low46.4Very low175 Ų175122.4 Ų122.476%0.76160%0.599SS**THydrogen-bonded Turntrans-96.5-9.8174.9-74.8-173.9178.7-1790114.1N716 L717N716-K719 PolarHBondContact O-N 3.49Å; L717-K719 PolarHBondContact O-N 3.32Å
720Q38Very low46.1Very low178 Ų178127.8 Ų127.883%0.83263%0.625SS**THydrogen-bonded Turntrans-99.5-4.2176.3-76.1-169.2-14.500113.4L717L717-Q720 PolarHBondContact O-N 3.43Å
721V38.8Very low45.6Very low180 Ų180123.4 Ų123.4100%1.09162%0.618SS**  trans-98.10166.7-173.20000108.3

Retrieved 721 of 721 residues in 1530.3 ms (Link to these results)

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